A0A3Q0KNR1_SCHMA Loading...

Very long-chain fatty acid transport protein

Acyl-CoA synthetase required for both the import of long chain fatty acids (LCFAs) (C14-C18) and the activation very long chain fatty acids (VLCFAs) (C20-C26) by esterification of the fatty acids into metabolically active CoA-thioesters for subsequent degradation or incorporation into phospholipids. The transport and fatty acyl-CoA synthetase activities are genetically separable and are thus independent activities. Esterifies VLCFAs in the peroxisome matrix. The VLCFAs are actively transported into peroxisomes by a PXA1-PXA2 heterodimeric transporter in the peroxisomal membrane.

AlphaFold DB (A0A5K4EPK2), UniProt , Accession A0A3Q0KNR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 665 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	44	Very low	65	Low	159 Å²	159	81.4 Å²	81.4	78%	0.783	40%	0.402	S	S	*	.				0	29.4	0	-76.1	-179.8	168.2	0	0	111.7	D424	M1-D424 VanDerWaalsContact C-OD2 3.3Å; M1-D424 WeakPolarHBondContact CA-OD2 3.43Å; M1-D424 PolarHBondContact N-OD2 3.16Å
2	H	49.5	Very low	66.7	Low	121 Å²	121	77.7 Å²	77.7	56%	0.56	38%	0.382	S	S	*	.			trans	-104.8	-17.3	-162.2	-71	-71.4	0	0	0	115.8	D424 L452	H2-D424 PolarHBondContact N-OD2 3.38Å; H2-D424 VanDerWaalsContact N-OD2 3.15Å; H2-L452 HydrophobicContact CB-CD1 3.62Å
3	S	50.5	Low	68.2	Low	49 Å²	49	81.1 Å²	81.1	34%	0.343	40%	0.396	S	S	.	.	S	Bend	trans	-91.4	-16	-173.5	62.5	0	0	0	0	115.2
4	I	53.3	Low	69.6	Low	22 Å²	22	83.9 Å²	83.9	11%	0.113	41%	0.413	C	S	.	.	S	Bend	trans	-105.1	119.5	177.9	-66	162.6	0	0	0	107.3	W6 Y46 K421	I4-W6 VanDerWaalsContact C-N 3.34Å; I4-W6 HydrophobicContact CD1-CZ2 4.38Å; I4-W6 HydrophobicContact CG2-CD2 4.27Å; I4-W6 HydrophobicContact CG2-CG 4.37Å; I4-W6 PolarHBondContact O-N 3.22Å; I4-Y46 HydrophobicContact CD1-CD2 3.73Å; I4-Y46 HydrophobicContact CD1-CE2 3.81Å; I4-Y46 HydrophobicContact CG1-CD2 4.46Å; I4-Y46 HydrophobicContact CG2-CD2 4.19Å; I4-K421 WeakPolarHBondContact CD1-O 3.44Å
5	N	63	Low	70.8	Confident	103 Å²	103	79.4 Å²	79.4	55%	0.551	39%	0.393	S	S	*	.			trans	-63.7	101.2	165	-173.3	-3.8	0	0	0	107.5	Q7 P8	N5-Q7 PolarHBondContact ND2-OE1 3.43Å; N5-Q7 PolarHBondContact O-N 3.46Å; N5-Q7 WeakPolarHBondContact OD1-CB 3.45Å; N5-Q7 WeakPolarHBondContact OD1-CG 3.25Å; N5-Q7 PolarHBondContact OD1-N 2.82Å; N5-Q7 PolarHBondContact OD1-OE1 3.12Å; N5-P8 WeakPolarHBondContact O-CD 3.48Å
6	W	66.6	Low	72	Confident	82 Å²	82	76.4 Å²	76.4	31%	0.311	38%	0.379	S	S	.	.			trans	-77.3	-7	-179.9	-74.1	94.2	0	0	0	112.8	I4 P8 C9 F10 Y46	I4-W6 VanDerWaalsContact C-N 3.34Å; I4-W6 HydrophobicContact CD1-CZ2 4.38Å; I4-W6 HydrophobicContact CG2-CD2 4.27Å; I4-W6 HydrophobicContact CG2-CG 4.37Å; I4-W6 PolarHBondContact O-N 3.22Å; W6-P8 VanDerWaalsContact C-N 3.27Å; W6-C9 HydrophobicContact CE3-CB 3.72Å; W6-C9 HydrophobicContact CZ3-CB 4.27Å; W6-C9 WeakPolarHBondContact O-CA 3.3Å; W6-C9 WeakPolarHBondContact O-CB 3.46Å; W6-C9 PolarHBondContact O-N 3.05Å; W6-F10 HydrophobicContact CB-CD2 3.94Å; W6-F10 HydrophobicContact CB-CE2 3.83Å; W6-F10 WeakPolarHBondContact O-CD2 3.43Å; W6-F10 PolarHBondContact O-N 3.47Å; W6-Y46 HydrophobicContact CH2-CE2 4.38Å
7	Q	72.4	Confident	73	Confident	132 Å²	132	79 Å²	79	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-47.8	-44.2	177.9	-71.6	172.2	-22.1	0	0	112.7	N5 C9 F10 V11	N5-Q7 PolarHBondContact ND2-OE1 3.43Å; N5-Q7 PolarHBondContact O-N 3.46Å; N5-Q7 WeakPolarHBondContact OD1-CB 3.45Å; N5-Q7 WeakPolarHBondContact OD1-CG 3.25Å; N5-Q7 PolarHBondContact OD1-N 2.82Å; N5-Q7 PolarHBondContact OD1-OE1 3.12Å; Q7-C9 PolarHBondContact O-N 2.9Å; Q7-F10 PolarHBondContact O-N 3.44Å; Q7-V11 VanDerWaalsContact O-CG2 3.26Å; Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.39Å
8	P	76	Confident	74	Confident	10 Å²	10	76.2 Å²	76.2	7%	0.065	38%	0.379	C	S	.	.	H	α-helix	trans	-63	-40.8	177.2	-21.4	36.4	0	0	0	112.1	N5 W6 V11 F12 Y38 L41	N5-P8 WeakPolarHBondContact O-CD 3.48Å; W6-P8 VanDerWaalsContact C-N 3.27Å; P8-V11 PolarHBondContact O-N 3.41Å; P8-F12 WeakPolarHBondContact O-CB 3.24Å; P8-F12 PolarHBondContact O-N 3.21Å; P8-Y38 HydrophobicContact CB-CD2 3.72Å; P8-Y38 HydrophobicContact CB-CE2 3.61Å; P8-Y38 VanDerWaalsContact O-CD2 3.25Å; P8-Y38 WeakPolarHBondContact O-CD2 3.46Å; P8-L41 HydrophobicContact CB-CB 4.42Å; P8-L41 VanDerWaalsContact CG-O 3.31Å; P8-L41 WeakPolarHBondContact CG-O 3.33Å
9	C	76.7	Confident	74.9	Confident	15 Å²	15	73.8 Å²	73.8	10%	0.101	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-40.7	178.2	-64.5	0	0	0	0	111.8	W6 Q7 F12 H13	W6-C9 HydrophobicContact CE3-CB 3.72Å; W6-C9 HydrophobicContact CZ3-CB 4.27Å; W6-C9 WeakPolarHBondContact O-CA 3.3Å; W6-C9 WeakPolarHBondContact O-CB 3.46Å; W6-C9 PolarHBondContact O-N 3.05Å; Q7-C9 PolarHBondContact O-N 2.9Å; C9-F12 WeakPolarHBondContact O-CB 3.47Å; C9-F12 PolarHBondContact O-N 3.24Å; C9-H13 PolarHBondContact O-CD2 3Å; C9-H13 PolarHBondContact O-N 2.92Å
10	F	80.1	Confident	75.5	Confident	145 Å²	145	76.1 Å²	76.1	64%	0.636	37%	0.372	S	S	*	.	H	α-helix	trans	-62.5	-44.3	173.2	-79.2	-72.6	0	0	0	111.5	W6 Q7 F12 H13 L14	W6-F10 HydrophobicContact CB-CD2 3.94Å; W6-F10 HydrophobicContact CB-CE2 3.83Å; W6-F10 WeakPolarHBondContact O-CD2 3.43Å; W6-F10 PolarHBondContact O-N 3.47Å; Q7-F10 PolarHBondContact O-N 3.44Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 2.89Å; F10-H13 PolarHBondContact O-N 3.35Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.48Å
11	V	82.5	Confident	76.1	Confident	57 Å²	57	77.3 Å²	77.3	35%	0.345	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-38	175.4	175.2	0	0	0	0	111.2	Q7 P8 S15 L41	Q7-V11 VanDerWaalsContact O-CG2 3.26Å; Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.39Å; P8-V11 PolarHBondContact O-N 3.41Å; V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.38Å; V11-S15 PolarHBondContact O-OG 2.87Å; V11-L41 HydrophobicContact CB-CD1 4.14Å; V11-L41 HydrophobicContact CG1-CD1 3.53Å; V11-L41 HydrophobicContact CG2-CD1 4.42Å
12	F	85.6	Confident	78.2	Confident	37 Å²	37	76.1 Å²	76.1	16%	0.162	38%	0.375	C	S	.	.	H	α-helix	trans	-61.8	-52	175.3	179.2	-107.7	0	0	0	111.9	P8 C9 F10 S15 I16 Y35 Y38	P8-F12 WeakPolarHBondContact O-CB 3.24Å; P8-F12 PolarHBondContact O-N 3.21Å; C9-F12 WeakPolarHBondContact O-CB 3.47Å; C9-F12 PolarHBondContact O-N 3.24Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 2.89Å; F12-S15 PolarHBondContact O-N 3.46Å; F12-S15 PolarHBondContact O-OG 3.04Å; F12-I16 HydrophobicContact CD1-CD1 4.08Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CE2-CD1 4.03Å; F12-I16 HydrophobicContact CZ-CD1 3.54Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.01Å; F12-Y35 HydrophobicContact CE2-CD2 4.22Å; F12-Y38 HydrophobicContact CB-CD2 3.76Å; F12-Y38 HydrophobicContact CB-CE2 4.44Å; F12-Y38 HydrophobicContact CB-CG 4.2Å; F12-Y38 HydrophobicContact CD2-CG 4.25Å; F12-Y38 HydrophobicContact CG-CD2 4.37Å; F12-Y38 HydrophobicContact CG-CG 4.43Å
13	H	86.2	Confident	80.1	Confident	122 Å²	122	75.8 Å²	75.8	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-65.8	-41.7	178.9	-70.7	-59.9	0	0	0	112.7	C9 F10 S15 I16 F17	C9-H13 PolarHBondContact O-CD2 3Å; C9-H13 PolarHBondContact O-N 2.92Å; F10-H13 PolarHBondContact O-N 3.35Å; H13-S15 PolarHBondContact O-N 3.17Å; H13-I16 PolarHBondContact O-N 2.97Å; H13-F17 WeakPolarHBondContact O-CB 3.47Å; H13-F17 PolarHBondContact O-N 3.5Å
14	L	88.5	Confident	82	Confident	120 Å²	120	82 Å²	82	63%	0.628	40%	0.398	S	S	*	.	H	α-helix	trans	-64.4	-40.1	178.1	-174.6	66.1	0	0	0	111.5	F10 F17 A18	F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.48Å; L14-F17 PolarHBondContact O-N 3.18Å; L14-A18 VanDerWaalsContact O-CB 3.32Å; L14-A18 WeakPolarHBondContact O-CB 3.21Å; L14-A18 PolarHBondContact O-N 2.87Å
15	S	87.7	Confident	83.8	Confident	17 Å²	17	87.1 Å²	87.1	12%	0.119	42%	0.416	C	S	.	.	H	α-helix	trans	-68.4	-37	177.2	56.1	0	0	0	0	112.2	V11 F12 H13 F17 A18 L19 S34	V11-S15 WeakPolarHBondContact O-CB 3.44Å; V11-S15 PolarHBondContact O-N 3.38Å; V11-S15 PolarHBondContact O-OG 2.87Å; F12-S15 PolarHBondContact O-N 3.46Å; F12-S15 PolarHBondContact O-OG 3.04Å; H13-S15 PolarHBondContact O-N 3.17Å; S15-F17 VanDerWaalsContact C-N 3.34Å; S15-A18 PolarHBondContact O-N 3.27Å; S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 WeakPolarHBondContact O-CD1 3.28Å; S15-L19 VanDerWaalsContact O-CG 3.26Å; S15-L19 WeakPolarHBondContact O-CG 3.43Å; S15-L19 PolarHBondContact O-N 3.22Å; S15-S34 VanDerWaalsContact CB-OG 3.25Å; S15-S34 WeakPolarHBondContact CB-OG 3.36Å; S15-S34 WeakPolarHBondContact OG-CB 3.42Å; S15-S34 PolarHBondContact OG-OG 3.28Å
16	I	88.9	Confident	85.2	Confident	31 Å²	31	85.2 Å²	85.2	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-47.6	173.1	-69.5	173.4	0	0	0	109.5	F12 H13 L19 R20 I31 S34	F12-I16 HydrophobicContact CD1-CD1 4.08Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CE2-CD1 4.03Å; F12-I16 HydrophobicContact CZ-CD1 3.54Å; F12-I16 WeakPolarHBondContact O-CG1 3.41Å; F12-I16 PolarHBondContact O-N 3.01Å; H13-I16 PolarHBondContact O-N 2.97Å; I16-L19 PolarHBondContact O-N 3.3Å; I16-R20 WeakPolarHBondContact O-CB 3.3Å; I16-R20 PolarHBondContact O-N 2.83Å; I16-I31 HydrophobicContact CD1-CG1 4.13Å; I16-S34 WeakPolarHBondContact CA-OG 3.34Å; I16-S34 WeakPolarHBondContact CG1-OG 3.41Å; I16-S34 PolarHBondContact N-OG 3.42Å
17	F	89.7	Confident	86.3	Confident	121 Å²	121	85.9 Å²	85.9	53%	0.531	42%	0.418	S	S	.	.	H	α-helix	trans	-59.3	-48.1	178.8	-177.4	-86	0	0	0	111.1	H13 L14 S15 R20 L21	H13-F17 WeakPolarHBondContact O-CB 3.47Å; H13-F17 PolarHBondContact O-N 3.5Å; L14-F17 PolarHBondContact O-N 3.18Å; S15-F17 VanDerWaalsContact C-N 3.34Å; F17-R20 PolarHBondContact O-N 2.95Å; F17-L21 HydrophobicContact CD1-CD1 4.08Å; F17-L21 HydrophobicContact CD2-CD1 3.39Å; F17-L21 HydrophobicContact CE1-CD1 3.76Å; F17-L21 HydrophobicContact CE2-CD1 3.04Å; F17-L21 HydrophobicContact CE2-CG 4.47Å; F17-L21 HydrophobicContact CG-CD1 3.9Å; F17-L21 HydrophobicContact CZ-CD1 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.46Å; F17-L21 PolarHBondContact O-N 3.4Å
18	A	90.2	Very high	87.2	Confident	28 Å²	28	87.1 Å²	87.1	23%	0.231	42%	0.422	C	S	.	.	I	π-helix	trans	-62.1	-48.6	178.5	0	0	0	0	0	112	L14 S15 R20 L22 L23	L14-A18 VanDerWaalsContact O-CB 3.32Å; L14-A18 WeakPolarHBondContact O-CB 3.21Å; L14-A18 PolarHBondContact O-N 2.87Å; S15-A18 PolarHBondContact O-N 3.27Å; A18-R20 VanDerWaalsContact C-N 3.32Å; A18-R20 PolarHBondContact O-N 2.84Å; A18-L22 HydrophobicContact CB-CD1 4.09Å; A18-L22 WeakPolarHBondContact O-CA 3.23Å; A18-L22 VanDerWaalsContact O-CB 3.23Å; A18-L22 WeakPolarHBondContact O-CB 3.34Å; A18-L22 PolarHBondContact O-N 3.14Å; A18-L23 PolarHBondContact O-N 2.8Å
19	L	90.9	Very high	88	Confident	32 Å²	32	90.8 Å²	90.8	17%	0.168	44%	0.439	C	S	.	.	I	π-helix	trans	-63.7	-38.8	179.1	-72.4	163.4	0	0	0	111.7	S15 I16 L23 K24 R25 S30 A33	S15-L19 VanDerWaalsContact O-CB 3.31Å; S15-L19 WeakPolarHBondContact O-CB 3.34Å; S15-L19 WeakPolarHBondContact O-CD1 3.28Å; S15-L19 VanDerWaalsContact O-CG 3.26Å; S15-L19 WeakPolarHBondContact O-CG 3.43Å; S15-L19 PolarHBondContact O-N 3.22Å; I16-L19 PolarHBondContact O-N 3.3Å; L19-L23 HydrophobicContact CD2-CD1 3.85Å; L19-L23 CarbonylContact O-C 3.53Å; L19-K24 PolarHBondContact O-N 3.34Å; L19-R25 HydrophobicContact CB-CB 4.49Å; L19-R25 HydrophobicContact CD2-CG 4.38Å; L19-R25 WeakPolarHBondContact O-CB 3.18Å; L19-R25 PolarHBondContact O-N 3.31Å; L19-S30 WeakPolarHBondContact CB-OG 3.3Å; L19-A33 HydrophobicContact CD1-CB 3.82Å
20	R	87.6	Confident	88.8	Confident	118 Å²	118	90.1 Å²	90.1	45%	0.445	43%	0.434	S	S	.	.	I	π-helix	trans	-76.7	-47	-177.6	-175.4	57.1	178.6	164.9	3.4	113.2	I16 F17 A18 K24 R25	I16-R20 WeakPolarHBondContact O-CB 3.3Å; I16-R20 PolarHBondContact O-N 2.83Å; F17-R20 PolarHBondContact O-N 2.95Å; A18-R20 VanDerWaalsContact C-N 3.32Å; A18-R20 PolarHBondContact O-N 2.84Å; R20-K24 WeakPolarHBondContact O-CA 3.34Å; R20-K24 PolarHBondContact O-N 3.06Å; R20-R25 VanDerWaalsContact CD-O 3.31Å; R20-R25 WeakPolarHBondContact CD-O 3.25Å; R20-R25 PolarHBondContact NH1-O 3.32Å
21	L	88.5	Confident	89.3	Confident	102 Å²	102	86.5 Å²	86.5	53%	0.534	42%	0.42	S	S	.	.	I	π-helix	trans	-94.7	-39.7	-170.8	-68.8	169	0	0	0	113.1	F17	F17-L21 HydrophobicContact CD1-CD1 4.08Å; F17-L21 HydrophobicContact CD2-CD1 3.39Å; F17-L21 HydrophobicContact CE1-CD1 3.76Å; F17-L21 HydrophobicContact CE2-CD1 3.04Å; F17-L21 HydrophobicContact CE2-CG 4.47Å; F17-L21 HydrophobicContact CG-CD1 3.9Å; F17-L21 HydrophobicContact CZ-CD1 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.46Å; F17-L21 PolarHBondContact O-N 3.4Å
22	L	88.5	Confident	89.7	Confident	134 Å²	134	86.8 Å²	86.8	70%	0.702	42%	0.422	S	S	*	.	I	π-helix	trans	-83.2	-42	-179.2	-55.7	172.9	0	0	0	111	A18	A18-L22 HydrophobicContact CB-CD1 4.09Å; A18-L22 WeakPolarHBondContact O-CA 3.23Å; A18-L22 VanDerWaalsContact O-CB 3.23Å; A18-L22 WeakPolarHBondContact O-CB 3.34Å; A18-L22 PolarHBondContact O-N 3.14Å
23	L	89.8	Confident	89.9	Confident	114 Å²	114	86.8 Å²	86.8	60%	0.597	43%	0.429	S	S	*	.	S	Bend	trans	-101.7	0.9	-174.5	-61.9	171.4	0	0	0	114.1	A18 L19 R25	A18-L23 PolarHBondContact O-N 2.8Å; L19-L23 HydrophobicContact CD2-CD1 3.85Å; L19-L23 CarbonylContact O-C 3.53Å; L23-R25 HydrophobicContact CB-CG 4.18Å; L23-R25 PolarHBondContact O-N 2.76Å
24	K	89.9	Confident	90.2	Very high	180 Å²	180	81 Å²	81	78%	0.783	40%	0.402	S	S	*	.			trans	51	28.6	179.1	-61.3	-175.8	179.3	179.1	0	114.3	L19 R20	L19-K24 PolarHBondContact O-N 3.34Å; R20-K24 WeakPolarHBondContact O-CA 3.34Å; R20-K24 PolarHBondContact O-N 3.06Å
25	R	89.9	Confident	90.2	Very high	129 Å²	129	79.7 Å²	79.7	49%	0.487	39%	0.39	S	S	.	.			trans	-68.8	150.4	179.7	-70.8	-73.5	-177.3	160.7	-3.3	111.8	L19 R20 L23 E29 S30	L19-R25 HydrophobicContact CB-CB 4.49Å; L19-R25 HydrophobicContact CD2-CG 4.38Å; L19-R25 WeakPolarHBondContact O-CB 3.18Å; L19-R25 PolarHBondContact O-N 3.31Å; R20-R25 VanDerWaalsContact CD-O 3.31Å; R20-R25 WeakPolarHBondContact CD-O 3.25Å; R20-R25 PolarHBondContact NH1-O 3.32Å; L23-R25 HydrophobicContact CB-CG 4.18Å; L23-R25 PolarHBondContact O-N 2.76Å; R25-E29 IonicContact NH1-OE2 3.25Å; R25-E29 PolarHBondContact NH1-OE2 2.81Å; R25-E29 VanDerWaalsContact NH1-OE2 3.13Å; R25-S30 WeakPolarHBondContact CB-OG 3.36Å
26	P	93.1	Very high	90.2	Very high	63 Å²	63	84.4 Å²	84.4	41%	0.409	41%	0.413	S	S	.	.			trans	-53.9	141	168.8	-24.3	34.6	0	0	0	111	F28 E29 S30	P26-F28 PolarHBondContact O-N 3.05Å; P26-E29 HydrophobicContact CB-CB 4.44Å; P26-E29 HydrophobicContact CB-CG 4.33Å; P26-E29 HydrophobicContact CG-CG 4.37Å; P26-E29 PolarHBondContact O-N 3.34Å; P26-E29 VanDerWaalsContact O-N 3.13Å; P26-S30 PolarHBondContact O-N 3.28Å; P26-S30 PolarHBondContact O-OG 2.91Å
27	L	90.2	Very high	90.1	Very high	96 Å²	96	87.4 Å²	87.4	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-55.1	-41.1	-175.6	178.6	62.6	0	0	0	112.3	S30 I31	L27-S30 PolarHBondContact O-N 3.32Å; L27-I31 HydrophobicContact CD1-CD1 4.09Å; L27-I31 HydrophobicContact CD1-CG1 4.37Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.24Å; L27-I31 PolarHBondContact O-N 3.34Å
28	F	91.7	Very high	90	Very high	158 Å²	158	82.3 Å²	82.3	69%	0.693	41%	0.406	S	S	*	.	H	α-helix	trans	-63	-47.2	179.2	-176	-100.9	0	0	0	112.2	P26 S30 I31 V32	P26-F28 PolarHBondContact O-N 3.05Å; F28-S30 VanDerWaalsContact C-N 3.33Å; F28-S30 PolarHBondContact O-N 3.25Å; F28-I31 PolarHBondContact O-N 2.78Å; F28-V32 HydrophobicContact CD1-CG2 4.32Å; F28-V32 HydrophobicContact CE1-CG2 3.94Å; F28-V32 HydrophobicContact CE2-CG2 4.37Å; F28-V32 HydrophobicContact CZ-CG2 3.97Å; F28-V32 WeakPolarHBondContact O-CG2 3.45Å; F28-V32 PolarHBondContact O-N 3.03Å
29	E	91.5	Very high	89.8	Confident	88 Å²	88	83.8 Å²	83.8	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-43.2	175.3	-72.5	179.6	-155.1	0	0	111.7	R25 P26 I31 V32 A33	R25-E29 IonicContact NH1-OE2 3.25Å; R25-E29 PolarHBondContact NH1-OE2 2.81Å; R25-E29 VanDerWaalsContact NH1-OE2 3.13Å; P26-E29 HydrophobicContact CB-CB 4.44Å; P26-E29 HydrophobicContact CB-CG 4.33Å; P26-E29 HydrophobicContact CG-CG 4.37Å; P26-E29 PolarHBondContact O-N 3.34Å; P26-E29 VanDerWaalsContact O-N 3.13Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 3.29Å; E29-V32 PolarHBondContact O-N 3.22Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.1Å
30	S	93.3	Very high	89.5	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-58.3	-45.2	176.9	-60.1	0	0	0	0	111.6	L19 R25 P26 L27 F28 S34	L19-S30 WeakPolarHBondContact CB-OG 3.3Å; R25-S30 WeakPolarHBondContact CB-OG 3.36Å; P26-S30 PolarHBondContact O-N 3.28Å; P26-S30 PolarHBondContact O-OG 2.91Å; L27-S30 PolarHBondContact O-N 3.32Å; F28-S30 VanDerWaalsContact C-N 3.33Å; F28-S30 PolarHBondContact O-N 3.25Å; S30-S34 WeakPolarHBondContact O-CB 3.46Å; S30-S34 PolarHBondContact O-N 3.16Å; S30-S34 PolarHBondContact O-OG 3.28Å
31	I	91.7	Very high	89.4	Confident	70 Å²	70	86.1 Å²	86.1	36%	0.359	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-47.5	178.4	-68.6	165.9	0	0	0	110.9	I16 L27 F28 E29 Y35	I16-I31 HydrophobicContact CD1-CG1 4.13Å; L27-I31 HydrophobicContact CD1-CD1 4.09Å; L27-I31 HydrophobicContact CD1-CG1 4.37Å; L27-I31 HydrophobicContact CG-CD1 3.94Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.24Å; L27-I31 PolarHBondContact O-N 3.34Å; F28-I31 PolarHBondContact O-N 2.78Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 3.29Å; I31-Y35 WeakPolarHBondContact O-CB 3.2Å; I31-Y35 PolarHBondContact O-N 2.84Å
32	V	90.9	Very high	89.1	Confident	62 Å²	62	82 Å²	82	38%	0.376	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-46.9	-178.5	173.6	0	0	0	0	111.3	F28 E29 Y35 L36	F28-V32 HydrophobicContact CD1-CG2 4.32Å; F28-V32 HydrophobicContact CE1-CG2 3.94Å; F28-V32 HydrophobicContact CE2-CG2 4.37Å; F28-V32 HydrophobicContact CZ-CG2 3.97Å; F28-V32 WeakPolarHBondContact O-CG2 3.45Å; F28-V32 PolarHBondContact O-N 3.03Å; E29-V32 PolarHBondContact O-N 3.22Å; V32-Y35 WeakPolarHBondContact O-CB 3.42Å; V32-Y35 PolarHBondContact O-N 3.45Å; V32-L36 HydrophobicContact CG1-CD1 4.13Å; V32-L36 WeakPolarHBondContact O-CG 3.28Å; V32-L36 PolarHBondContact O-N 2.6Å
33	A	89.7	Confident	88.9	Confident	38 Å²	38	75.7 Å²	75.7	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-43.8	179.3	0	0	0	0	0	112	L19 E29 Y35 L36 L37	L19-A33 HydrophobicContact CD1-CB 3.82Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.1Å; A33-Y35 VanDerWaalsContact C-N 3.27Å; A33-Y35 PolarHBondContact O-N 3.45Å; A33-L36 PolarHBondContact O-N 2.9Å; A33-L37 PolarHBondContact O-N 2.94Å; A33-L37 VanDerWaalsContact O-N 3.1Å
34	S	91.4	Very high	88.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.2	-39.2	172.8	-72.8	0	0	0	0	112.4	S15 I16 S30 L37 Y38	S15-S34 VanDerWaalsContact CB-OG 3.25Å; S15-S34 WeakPolarHBondContact CB-OG 3.36Å; S15-S34 WeakPolarHBondContact OG-CB 3.42Å; S15-S34 PolarHBondContact OG-OG 3.28Å; I16-S34 WeakPolarHBondContact CA-OG 3.34Å; I16-S34 WeakPolarHBondContact CG1-OG 3.41Å; I16-S34 PolarHBondContact N-OG 3.42Å; S30-S34 WeakPolarHBondContact O-CB 3.46Å; S30-S34 PolarHBondContact O-N 3.16Å; S30-S34 PolarHBondContact O-OG 3.28Å; S34-L37 PolarHBondContact O-N 3.38Å; S34-Y38 WeakPolarHBondContact O-CB 3.44Å; S34-Y38 PolarHBondContact O-N 2.89Å
35	Y	89.1	Confident	88.4	Confident	92 Å²	92	75.1 Å²	75.1	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-68.4	-40.8	178.8	-171.4	-98.4	0	0	0	112.2	F12 I31 V32 A33 L37 Y38 I39 Q47	F12-Y35 HydrophobicContact CE2-CD2 4.22Å; I31-Y35 WeakPolarHBondContact O-CB 3.2Å; I31-Y35 PolarHBondContact O-N 2.84Å; V32-Y35 WeakPolarHBondContact O-CB 3.42Å; V32-Y35 PolarHBondContact O-N 3.45Å; A33-Y35 VanDerWaalsContact C-N 3.27Å; A33-Y35 PolarHBondContact O-N 3.45Å; Y35-L37 PolarHBondContact O-N 3.37Å; Y35-Y38 WeakPolarHBondContact O-CB 3.3Å; Y35-Y38 PolarHBondContact O-N 2.98Å; Y35-Y38 VanDerWaalsContact O-N 3.16Å; Y35-I39 HydrophobicContact CD1-CD1 3.82Å; Y35-I39 HydrophobicContact CD1-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.33Å; Y35-I39 HydrophobicContact CE1-CG1 4.09Å; Y35-I39 PolarHBondContact O-N 3.3Å; Y35-I39 VanDerWaalsContact O-N 3.14Å; Y35-Q47 VanDerWaalsContact CZ-NE2 3.25Å; Y35-Q47 PolarHBondContact OH-NE2 2.84Å; Y35-Q47 PolarHBondContact OH-OE1 2.99Å
36	L	88.6	Confident	88.1	Confident	116 Å²	116	71.4 Å²	71.4	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-63.8	-29.4	174.4	-72.2	172	0	0	0	112.6	V32 A33 P40	V32-L36 HydrophobicContact CG1-CD1 4.13Å; V32-L36 WeakPolarHBondContact O-CG 3.28Å; V32-L36 PolarHBondContact O-N 2.6Å; A33-L36 PolarHBondContact O-N 2.9Å; L36-P40 WeakPolarHBondContact O-CD 3.41Å; L36-P40 WeakPolarHBondContact O-CG 3.47Å
37	L	86.9	Confident	87.8	Confident	95 Å²	95	70.5 Å²	70.5	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-78.3	-37.3	170.6	-69.9	170.3	0	0	0	112.4	A33 S34 Y35 I39 P40 L41	A33-L37 PolarHBondContact O-N 2.94Å; A33-L37 VanDerWaalsContact O-N 3.1Å; S34-L37 PolarHBondContact O-N 3.38Å; Y35-L37 PolarHBondContact O-N 3.37Å; L37-I39 PolarHBondContact O-N 3.07Å; L37-P40 WeakPolarHBondContact O-CD 3.35Å; L37-P40 WeakPolarHBondContact O-CG 3.3Å; L37-L41 WeakPolarHBondContact O-CD1 3.41Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å
38	Y	86.6	Confident	87.7	Confident	13 Å²	13	71.3 Å²	71.3	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-42.9	-178.1	172	-107.5	0	0	0	113.3	P8 F12 S34 Y35 L41 G43 Q47	P8-Y38 HydrophobicContact CB-CD2 3.72Å; P8-Y38 HydrophobicContact CB-CE2 3.61Å; P8-Y38 VanDerWaalsContact O-CD2 3.25Å; P8-Y38 WeakPolarHBondContact O-CD2 3.46Å; F12-Y38 HydrophobicContact CB-CD2 3.76Å; F12-Y38 HydrophobicContact CB-CE2 4.44Å; F12-Y38 HydrophobicContact CB-CG 4.2Å; F12-Y38 HydrophobicContact CD2-CG 4.25Å; F12-Y38 HydrophobicContact CG-CD2 4.37Å; F12-Y38 HydrophobicContact CG-CG 4.43Å; S34-Y38 WeakPolarHBondContact O-CB 3.44Å; S34-Y38 PolarHBondContact O-N 2.89Å; Y35-Y38 WeakPolarHBondContact O-CB 3.3Å; Y35-Y38 PolarHBondContact O-N 2.98Å; Y35-Y38 VanDerWaalsContact O-N 3.16Å; Y38-L41 PolarHBondContact O-N 2.79Å; Y38-G43 VanDerWaalsContact CE1-C 3.44Å; Y38-G43 WeakPolarHBondContact CE1-O 3.47Å; Y38-G43 VanDerWaalsContact CE2-CA 3.46Å; Y38-G43 WeakPolarHBondContact O-CA 3.43Å; Y38-G43 PolarHBondContact O-N 3.01Å; Y38-G43 PolarHBondContact OH-O 2.79Å; Y38-Q47 HydrophobicContact CE1-CG 4.11Å
39	I	86	Confident	87.7	Confident	60 Å²	60	64.7 Å²	64.7	31%	0.308	32%	0.315	S	S	.	.	I	π-helix	trans	-57.4	-60.4	-178.5	-70.7	172.7	0	0	0	112.2	Y35 L37 L41 G42 W44	Y35-I39 HydrophobicContact CD1-CD1 3.82Å; Y35-I39 HydrophobicContact CD1-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.33Å; Y35-I39 HydrophobicContact CE1-CG1 4.09Å; Y35-I39 PolarHBondContact O-N 3.3Å; Y35-I39 VanDerWaalsContact O-N 3.14Å; L37-I39 PolarHBondContact O-N 3.07Å; I39-L41 PolarHBondContact O-N 3.07Å; I39-G42 PolarHBondContact O-N 3.39Å; I39-W44 HydrophobicContact CG2-CB 4.37Å
40	P	84.3	Confident	87.7	Confident	101 Å²	101	64.4 Å²	64.4	66%	0.656	31%	0.313	S	S	*	.	I	π-helix	trans	-65.1	-24.8	-176.2	25.1	-34.5	0	0	0	113	L36 L37 G42	L36-P40 WeakPolarHBondContact O-CD 3.41Å; L36-P40 WeakPolarHBondContact O-CG 3.47Å; L37-P40 WeakPolarHBondContact O-CD 3.35Å; L37-P40 WeakPolarHBondContact O-CG 3.3Å; P40-G42 PolarHBondContact O-N 3.1Å; P40-G42 VanDerWaalsContact O-N 3.15Å
41	L	86.2	Confident	87.7	Confident	97 Å²	97	70.3 Å²	70.3	51%	0.508	34%	0.343	S	S	.	.	I	π-helix	trans	-72.3	2.1	173.7	-67.7	173.4	0	0	0	113.9	P8 V11 L37 Y38 I39	P8-L41 HydrophobicContact CB-CB 4.42Å; P8-L41 VanDerWaalsContact CG-O 3.31Å; P8-L41 WeakPolarHBondContact CG-O 3.33Å; V11-L41 HydrophobicContact CB-CD1 4.14Å; V11-L41 HydrophobicContact CG1-CD1 3.53Å; V11-L41 HydrophobicContact CG2-CD1 4.42Å; L37-L41 WeakPolarHBondContact O-CD1 3.41Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.24Å; Y38-L41 PolarHBondContact O-N 2.79Å; I39-L41 PolarHBondContact O-N 3.07Å
42	G	82.2	Confident	87.8	Confident	16 Å²	16	71.6 Å²	71.6	17%	0.165	35%	0.35	C	S	.	.	I	π-helix	trans	100.9	2.5	177.5	0	0	0	0	0	114.4	I39 P40 W44 R45	I39-G42 PolarHBondContact O-N 3.39Å; P40-G42 PolarHBondContact O-N 3.1Å; P40-G42 VanDerWaalsContact O-N 3.15Å; G42-W44 PolarHBondContact O-N 3.48Å; G42-W44 VanDerWaalsContact O-N 3.16Å; G42-R45 PolarHBondContact O-N 3.25Å; G42-R45 VanDerWaalsContact O-N 3.11Å
43	G	83.3	Confident	88	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	33%	0.333	C	S	.	.	I	π-helix	trans	-58.6	-25.6	176.6	0	0	0	0	0	114.2	Y38 R45 Y46 Q47	Y38-G43 VanDerWaalsContact CE1-C 3.44Å; Y38-G43 WeakPolarHBondContact CE1-O 3.47Å; Y38-G43 VanDerWaalsContact CE2-CA 3.46Å; Y38-G43 WeakPolarHBondContact O-CA 3.43Å; Y38-G43 PolarHBondContact O-N 3.01Å; Y38-G43 PolarHBondContact OH-O 2.79Å; G43-R45 PolarHBondContact O-N 3.34Å; G43-R45 VanDerWaalsContact O-N 3.16Å; G43-Y46 PolarHBondContact O-N 2.82Å; G43-Q47 PolarHBondContact O-N 2.69Å
44	W	84.4	Confident	88.2	Confident	124 Å²	124	69 Å²	69	47%	0.47	33%	0.329	S	S	.	.	H	α-helix	trans	-56.7	-29.6	174.9	72.7	-97	0	0	0	113.2	I39 G42 Q47 R48	I39-W44 HydrophobicContact CG2-CB 4.37Å; G42-W44 PolarHBondContact O-N 3.48Å; G42-W44 VanDerWaalsContact O-N 3.16Å; W44-Q47 PolarHBondContact O-N 2.73Å; W44-R48 HydrophobicContact CE3-CB 4.45Å; W44-R48 WeakPolarHBondContact O-CB 3.17Å; W44-R48 PolarHBondContact O-N 2.95Å
45	R	84.6	Confident	88.4	Confident	159 Å²	159	75.4 Å²	75.4	60%	0.6	36%	0.362	S	S	*	.	H	α-helix	trans	-64.4	-46	180	-70.2	-175.9	175.8	140.6	-3.2	111.6	G42 G43 R48 I49	G42-R45 PolarHBondContact O-N 3.25Å; G42-R45 VanDerWaalsContact O-N 3.11Å; G43-R45 PolarHBondContact O-N 3.34Å; G43-R45 VanDerWaalsContact O-N 3.16Å; R45-R48 PolarHBondContact O-N 3.49Å; R45-I49 WeakPolarHBondContact O-CG1 3.38Å; R45-I49 PolarHBondContact O-N 3.38Å
46	Y	84.1	Confident	88.6	Confident	51 Å²	51	71.9 Å²	71.9	20%	0.2	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-42.8	177.6	179.1	-98	0	0	0	111.1	I4 W6 G43 R48 I49 F50	I4-Y46 HydrophobicContact CD1-CD2 3.73Å; I4-Y46 HydrophobicContact CD1-CE2 3.81Å; I4-Y46 HydrophobicContact CG1-CD2 4.46Å; I4-Y46 HydrophobicContact CG2-CD2 4.19Å; W6-Y46 HydrophobicContact CH2-CE2 4.38Å; G43-Y46 PolarHBondContact O-N 2.82Å; Y46-R48 VanDerWaalsContact C-N 3.34Å; Y46-R48 PolarHBondContact O-N 2.86Å; Y46-I49 PolarHBondContact O-N 3.38Å; Y46-F50 VanDerWaalsContact O-CB 3.32Å; Y46-F50 WeakPolarHBondContact O-CB 3.43Å; Y46-F50 PolarHBondContact O-N 2.9Å
47	Q	86.6	Confident	88.9	Confident	44 Å²	44	66.7 Å²	66.7	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-43	176.3	-66.6	177.2	-14.6	0	0	112.2	Y35 Y38 G43 W44 F50 I51	Y35-Q47 VanDerWaalsContact CZ-NE2 3.25Å; Y35-Q47 PolarHBondContact OH-NE2 2.84Å; Y35-Q47 PolarHBondContact OH-OE1 2.99Å; Y38-Q47 HydrophobicContact CE1-CG 4.11Å; G43-Q47 PolarHBondContact O-N 2.69Å; W44-Q47 PolarHBondContact O-N 2.73Å; Q47-F50 PolarHBondContact O-N 3.33Å; Q47-I51 WeakPolarHBondContact O-CB 3.47Å; Q47-I51 VanDerWaalsContact O-CG1 3.24Å; Q47-I51 WeakPolarHBondContact O-CG1 3.41Å; Q47-I51 PolarHBondContact O-N 3.45Å
48	R	89.6	Confident	89.2	Confident	112 Å²	112	66.6 Å²	66.6	42%	0.423	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-49	175.2	177.2	-179.9	172.5	-83	0.9	111	W44 R45 Y46 L52	W44-R48 HydrophobicContact CE3-CB 4.45Å; W44-R48 WeakPolarHBondContact O-CB 3.17Å; W44-R48 PolarHBondContact O-N 2.95Å; R45-R48 PolarHBondContact O-N 3.49Å; Y46-R48 VanDerWaalsContact C-N 3.34Å; Y46-R48 PolarHBondContact O-N 2.86Å; R48-L52 HydrophobicContact CG-CD1 3.75Å; R48-L52 HydrophobicContact CG-CG 4.46Å; R48-L52 WeakPolarHBondContact O-CB 3.39Å; R48-L52 VanDerWaalsContact O-CG 3.22Å; R48-L52 WeakPolarHBondContact O-CG 3.41Å; R48-L52 PolarHBondContact O-N 2.9Å
49	I	91.6	Very high	89.6	Confident	20 Å²	20	70.1 Å²	70.1	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-51.1	176.6	-68.1	167.1	0	0	0	109.5	R45 Y46 I51 L52 T53 K421 D509 L510	R45-I49 WeakPolarHBondContact O-CG1 3.38Å; R45-I49 PolarHBondContact O-N 3.38Å; Y46-I49 PolarHBondContact O-N 3.38Å; I49-I51 PolarHBondContact O-N 3.27Å; I49-L52 PolarHBondContact O-N 3.1Å; I49-T53 HydrophobicContact CG2-CG2 4.46Å; I49-T53 WeakPolarHBondContact O-CB 3.23Å; I49-T53 WeakPolarHBondContact O-CG2 3.48Å; I49-T53 PolarHBondContact O-N 2.93Å; I49-T53 PolarHBondContact O-OG1 3.46Å; I49-K421 HydrophobicContact CG2-CB 3.91Å; I49-D509 WeakPolarHBondContact CD1-O 3.26Å; I49-L510 HydrophobicContact CG1-CD2 4.24Å
50	F	91.1	Very high	90	Very high	82 Å²	82	67.5 Å²	67.5	36%	0.36	33%	0.331	S	S	.	.	H	α-helix	trans	-54.5	-52.8	180	-176.3	-86.9	0	0	0	112.1	Y46 Q47 L52 T53 I54 I422	Y46-F50 VanDerWaalsContact O-CB 3.32Å; Y46-F50 WeakPolarHBondContact O-CB 3.43Å; Y46-F50 PolarHBondContact O-N 2.9Å; Q47-F50 PolarHBondContact O-N 3.33Å; F50-L52 VanDerWaalsContact C-N 3.33Å; F50-L52 PolarHBondContact O-N 3.2Å; F50-T53 PolarHBondContact O-N 3.18Å; F50-I54 HydrophobicContact CD1-CB 4.46Å; F50-I54 HydrophobicContact CD2-CD1 4.44Å; F50-I54 HydrophobicContact CE1-CB 4.26Å; F50-I54 HydrophobicContact CE1-CG1 4.22Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CD1 3.74Å; F50-I54 HydrophobicContact CE2-CG1 4.17Å; F50-I54 HydrophobicContact CZ-CB 4.28Å; F50-I54 HydrophobicContact CZ-CD1 3.87Å; F50-I54 HydrophobicContact CZ-CG1 3.84Å; F50-I54 WeakPolarHBondContact O-CB 3.47Å; F50-I54 VanDerWaalsContact O-CG2 3.27Å; F50-I54 WeakPolarHBondContact O-CG2 3.27Å; F50-I54 PolarHBondContact O-N 3.44Å; F50-I422 HydrophobicContact CB-CD1 4.4Å; F50-I422 HydrophobicContact CD2-CD1 3.75Å; F50-I422 HydrophobicContact CD2-CG1 4.23Å; F50-I422 HydrophobicContact CD2-CG2 4.07Å; F50-I422 HydrophobicContact CE2-CD1 4.36Å; F50-I422 HydrophobicContact CE2-CG2 4.34Å; F50-I422 HydrophobicContact CG-CD1 4.3Å
51	I	92.7	Very high	90.4	Very high	123 Å²	123	65.8 Å²	65.8	63%	0.631	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-42.7	-178.9	-68.9	165.7	0	0	0	111.1	Q47 I49	Q47-I51 WeakPolarHBondContact O-CB 3.47Å; Q47-I51 VanDerWaalsContact O-CG1 3.24Å; Q47-I51 WeakPolarHBondContact O-CG1 3.41Å; Q47-I51 PolarHBondContact O-N 3.45Å; I49-I51 PolarHBondContact O-N 3.27Å
52	L	94.3	Very high	90.8	Very high	98 Å²	98	70.1 Å²	70.1	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-76	-27	-176.8	-67.6	176.1	0	0	0	113.2	R48 I49 F50 L510	R48-L52 HydrophobicContact CG-CD1 3.75Å; R48-L52 HydrophobicContact CG-CG 4.46Å; R48-L52 WeakPolarHBondContact O-CB 3.39Å; R48-L52 VanDerWaalsContact O-CG 3.22Å; R48-L52 WeakPolarHBondContact O-CG 3.41Å; R48-L52 PolarHBondContact O-N 2.9Å; I49-L52 PolarHBondContact O-N 3.1Å; F50-L52 VanDerWaalsContact C-N 3.33Å; F50-L52 PolarHBondContact O-N 3.2Å; L52-L510 HydrophobicContact CB-CD2 4.33Å; L52-L510 HydrophobicContact CD1-CD1 4.43Å; L52-L510 HydrophobicContact CD1-CD2 3.99Å
53	T	94.9	Very high	91.4	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-117.2	-10.1	-170.7	74	0	0	0	0	115.1	I49 F50 L55 R56 D57 I422 L510	I49-T53 HydrophobicContact CG2-CG2 4.46Å; I49-T53 WeakPolarHBondContact O-CB 3.23Å; I49-T53 WeakPolarHBondContact O-CG2 3.48Å; I49-T53 PolarHBondContact O-N 2.93Å; I49-T53 PolarHBondContact O-OG1 3.46Å; F50-T53 PolarHBondContact O-N 3.18Å; T53-L55 VanDerWaalsContact C-N 3.33Å; T53-L55 PolarHBondContact O-N 3.11Å; T53-R56 WeakPolarHBondContact O-CB 3.45Å; T53-R56 PolarHBondContact O-N 3.46Å; T53-R56 VanDerWaalsContact O-N 3.16Å; T53-D57 WeakPolarHBondContact O-CB 3.41Å; T53-D57 VanDerWaalsContact O-CG 3.29Å; T53-D57 PolarHBondContact O-N 3.49Å; T53-D57 PolarHBondContact OG1-OD2 3.02Å; T53-I422 WeakPolarHBondContact OG1-CD1 3.47Å; T53-L510 HydrophobicContact CG2-CB 4.06Å; T53-L510 HydrophobicContact CG2-CD2 4.21Å
54	I	94.5	Very high	91.8	Very high	44 Å²	44	71.6 Å²	71.6	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-42.2	-174.5	-173.4	59.3	0	0	0	112.8	F50 D57 L58 I422	F50-I54 HydrophobicContact CD1-CB 4.46Å; F50-I54 HydrophobicContact CD2-CD1 4.44Å; F50-I54 HydrophobicContact CE1-CB 4.26Å; F50-I54 HydrophobicContact CE1-CG1 4.22Å; F50-I54 HydrophobicContact CE1-CG2 4.41Å; F50-I54 HydrophobicContact CE2-CD1 3.74Å; F50-I54 HydrophobicContact CE2-CG1 4.17Å; F50-I54 HydrophobicContact CZ-CB 4.28Å; F50-I54 HydrophobicContact CZ-CD1 3.87Å; F50-I54 HydrophobicContact CZ-CG1 3.84Å; F50-I54 WeakPolarHBondContact O-CB 3.47Å; F50-I54 VanDerWaalsContact O-CG2 3.27Å; F50-I54 WeakPolarHBondContact O-CG2 3.27Å; F50-I54 PolarHBondContact O-N 3.44Å; I54-D57 PolarHBondContact O-N 3.49Å; I54-L58 HydrophobicContact CD1-CD1 4.48Å; I54-L58 HydrophobicContact CD1-CG 4.21Å; I54-L58 HydrophobicContact CG1-CD1 4.15Å; I54-L58 HydrophobicContact CG1-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CB 3.21Å; I54-L58 VanDerWaalsContact O-CG 3.22Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.39Å; I54-I422 HydrophobicContact CB-CD1 4.23Å; I54-I422 HydrophobicContact CD1-CD1 4.03Å
55	L	94.1	Very high	92.3	Very high	135 Å²	135	71.5 Å²	71.5	71%	0.707	33%	0.333	S	S	*	.	H	α-helix	trans	-65.2	-44.2	178.5	-66.9	178.9	0	0	0	111.8	T53 D57 L58 V59	T53-L55 VanDerWaalsContact C-N 3.33Å; T53-L55 PolarHBondContact O-N 3.11Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-L58 PolarHBondContact O-N 3.01Å; L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.3Å; L55-V59 VanDerWaalsContact O-N 3.09Å
56	R	94.6	Very high	92.8	Very high	17 Å²	17	66.8 Å²	66.8	6%	0.064	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-45.2	174.1	-180	-158.6	69.6	-174.2	2	111	T53 L58 V59 G60 D410 Y418 L510 Y512	T53-R56 WeakPolarHBondContact O-CB 3.45Å; T53-R56 PolarHBondContact O-N 3.46Å; T53-R56 VanDerWaalsContact O-N 3.16Å; R56-L58 PolarHBondContact O-N 3.41Å; R56-V59 PolarHBondContact O-N 2.9Å; R56-G60 PolarHBondContact O-N 2.99Å; R56-D410 VanDerWaalsContact CD-OD2 3.29Å; R56-D410 WeakPolarHBondContact CD-OD2 3.46Å; R56-D410 WeakPolarHBondContact CG-OD2 3.17Å; R56-Y418 HydrophobicContact CG-CD1 4.5Å; R56-Y418 HydrophobicContact CG-CD2 4.46Å; R56-Y418 HydrophobicContact CG-CE1 4.05Å; R56-Y418 HydrophobicContact CG-CE2 3.97Å; R56-Y418 VanDerWaalsContact CZ-CD2 3.48Å; R56-Y418 VanDerWaalsContact NE-CD2 3.3Å; R56-Y418 PolarHBondContact O-OH 2.8Å; R56-L510 PolarHBondContact NH1-O 3.18Å; R56-L510 PolarHBondContact NH2-O 3.08Å; R56-Y512 VanDerWaalsContact NH1-CZ 3.34Å
57	D	94.1	Very high	93.4	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.043	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-33.7	-177.5	-71	1.2	0	0	0	111.5	T53 I54 L55 G60 L61 Y418 S420 I422	T53-D57 WeakPolarHBondContact O-CB 3.41Å; T53-D57 VanDerWaalsContact O-CG 3.29Å; T53-D57 PolarHBondContact O-N 3.49Å; T53-D57 PolarHBondContact OG1-OD2 3.02Å; I54-D57 PolarHBondContact O-N 3.49Å; L55-D57 VanDerWaalsContact C-N 3.34Å; D57-G60 PolarHBondContact O-N 2.96Å; D57-L61 VanDerWaalsContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CB 3.48Å; D57-L61 PolarHBondContact O-N 3.21Å; D57-Y418 WeakPolarHBondContact OD1-CE2 3.39Å; D57-S420 VanDerWaalsContact CG-OG 3.28Å; D57-S420 WeakPolarHBondContact OD2-CB 3.29Å; D57-S420 PolarHBondContact OD2-OG 2.99Å; D57-I422 HydrophobicContact CB-CD1 4.49Å; D57-I422 WeakPolarHBondContact OD2-CD1 3.29Å
58	L	94.5	Very high	93.7	Very high	93 Å²	93	65 Å²	65	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-39.5	171.4	-73.1	173.5	0	0	0	112.4	I54 L55 R56 L61 R62	I54-L58 HydrophobicContact CD1-CD1 4.48Å; I54-L58 HydrophobicContact CD1-CG 4.21Å; I54-L58 HydrophobicContact CG1-CD1 4.15Å; I54-L58 HydrophobicContact CG1-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CB 3.21Å; I54-L58 VanDerWaalsContact O-CG 3.22Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.39Å; L55-L58 PolarHBondContact O-N 3.01Å; R56-L58 PolarHBondContact O-N 3.41Å; L58-L61 PolarHBondContact O-N 3.27Å; L58-R62 WeakPolarHBondContact O-CB 3.28Å; L58-R62 PolarHBondContact O-N 2.84Å
59	V	93.5	Very high	93.9	Very high	86 Å²	86	63.4 Å²	63.4	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-46	172.6	172.3	0	0	0	0	110.5	L55 R56 L61 R62 C63 M409	L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.3Å; L55-V59 VanDerWaalsContact O-N 3.09Å; R56-V59 PolarHBondContact O-N 2.9Å; V59-L61 PolarHBondContact O-N 3.47Å; V59-R62 PolarHBondContact O-N 2.96Å; V59-C63 PolarHBondContact O-N 3.29Å; V59-M409 HydrophobicContact CG1-SD 4.47Å
60	G	94	Very high	94	Very high	6 Å²	6	64.6 Å²	64.6	6%	0.062	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-43.7	175.4	0	0	0	0	0	113	R56 D57 C63 L64 Y418	R56-G60 PolarHBondContact O-N 2.99Å; D57-G60 PolarHBondContact O-N 2.96Å; G60-C63 WeakPolarHBondContact O-CB 3.43Å; G60-C63 PolarHBondContact O-N 3.41Å; G60-L64 WeakPolarHBondContact O-CG 3.31Å; G60-L64 PolarHBondContact O-N 3.18Å; G60-Y418 WeakPolarHBondContact CA-OH 3.49Å; G60-Y418 PolarHBondContact N-OH 3.19Å
61	L	93.1	Very high	94.1	Very high	64 Å²	64	60.7 Å²	60.7	34%	0.335	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-43.6	177.1	-177	62.7	0	0	0	111.3	D57 L58 V59 C63 L64 F65 L423 F426	D57-L61 VanDerWaalsContact O-CB 3.29Å; D57-L61 WeakPolarHBondContact O-CB 3.48Å; D57-L61 PolarHBondContact O-N 3.21Å; L58-L61 PolarHBondContact O-N 3.27Å; V59-L61 PolarHBondContact O-N 3.47Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 3.22Å; L61-F65 VanDerWaalsContact O-CB 3.26Å; L61-F65 WeakPolarHBondContact O-CB 3.35Å; L61-F65 PolarHBondContact O-N 3.41Å; L61-L423 HydrophobicContact CD1-CD1 4.36Å; L61-L423 HydrophobicContact CD2-CD1 4.37Å; L61-F426 HydrophobicContact CD1-CE1 3.73Å; L61-F426 HydrophobicContact CD1-CZ 3.77Å
62	R	94.7	Very high	94.1	Very high	188 Å²	188	58.8 Å²	58.8	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-59.5	-44.3	173	179.9	-177	175.5	-178.2	0.6	111.2	L58 V59 F65 M66	L58-R62 WeakPolarHBondContact O-CB 3.28Å; L58-R62 PolarHBondContact O-N 2.84Å; V59-R62 PolarHBondContact O-N 2.96Å; R62-F65 PolarHBondContact O-N 3.41Å; R62-M66 HydrophobicContact CG-CG 4.43Å; R62-M66 WeakPolarHBondContact O-CB 3.3Å; R62-M66 VanDerWaalsContact O-CG 3.23Å; R62-M66 WeakPolarHBondContact O-CG 3.44Å; R62-M66 PolarHBondContact O-N 2.99Å
63	C	94.6	Very high	94	Very high	8 Å²	8	59 Å²	59	5%	0.054	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-53.5	176.7	175.3	0	0	0	0	111.2	V59 G60 L61 F65 M66 V67 Y285 S286 M409	V59-C63 PolarHBondContact O-N 3.29Å; G60-C63 WeakPolarHBondContact O-CB 3.43Å; G60-C63 PolarHBondContact O-N 3.41Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 2.83Å; C63-F65 VanDerWaalsContact C-N 3.31Å; C63-F65 PolarHBondContact O-N 2.71Å; C63-M66 PolarHBondContact O-N 3.18Å; C63-V67 WeakPolarHBondContact O-CG2 3.45Å; C63-V67 PolarHBondContact O-N 2.92Å; C63-Y285 VanDerWaalsContact SG-C 3.59Å; C63-Y285 VanDerWaalsContact SG-CB 3.57Å; C63-S286 PolarHBondContact SG-N 3.3Å; C63-M409 HydrophobicContact CB-CE 4.11Å; C63-M409 HydrophobicContact CB-SD 4.18Å
64	L	92.6	Very high	93.9	Very high	40 Å²	40	59 Å²	59	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-41.4	179.2	-71.7	175.8	0	0	0	112.1	G60 L61 V67 Q68 F426 Y427 F471	G60-L64 WeakPolarHBondContact O-CG 3.31Å; G60-L64 PolarHBondContact O-N 3.18Å; L61-L64 PolarHBondContact O-N 3.22Å; L64-V67 PolarHBondContact O-N 2.82Å; L64-Q68 VanDerWaalsContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CB 3.25Å; L64-Q68 PolarHBondContact O-N 2.88Å; L64-F426 HydrophobicContact CB-CE1 4.31Å; L64-F426 HydrophobicContact CD1-CD1 3.85Å; L64-F426 HydrophobicContact CD1-CE1 3.61Å; L64-Y427 HydrophobicContact CD1-CD2 4.27Å; L64-Y427 HydrophobicContact CD2-CD2 4.07Å; L64-Y427 HydrophobicContact CD2-CE2 4.18Å; L64-F471 HydrophobicContact CD2-CE1 3.88Å; L64-F471 HydrophobicContact CD2-CZ 4.24Å
65	F	94.6	Very high	93.8	Very high	122 Å²	122	60.9 Å²	60.9	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-47.9	175.6	-179.9	-106.1	0	0	0	111.9	L61 R62 C63 V67 Q68 L69	L61-F65 VanDerWaalsContact O-CB 3.26Å; L61-F65 WeakPolarHBondContact O-CB 3.35Å; L61-F65 PolarHBondContact O-N 3.41Å; R62-F65 PolarHBondContact O-N 3.41Å; C63-F65 VanDerWaalsContact C-N 3.31Å; C63-F65 PolarHBondContact O-N 2.71Å; F65-V67 PolarHBondContact O-N 3.29Å; F65-Q68 PolarHBondContact O-N 2.74Å; F65-L69 HydrophobicContact CD1-CD1 3.97Å; F65-L69 HydrophobicContact CD1-CG 4.44Å; F65-L69 HydrophobicContact CE1-CD1 3.41Å; F65-L69 VanDerWaalsContact CE1-CD1 3.41Å; F65-L69 HydrophobicContact CE1-CG 4.09Å; F65-L69 HydrophobicContact CE2-CD1 4.49Å; F65-L69 HydrophobicContact CE2-CD2 4.41Å; F65-L69 HydrophobicContact CE2-CG 4.35Å; F65-L69 HydrophobicContact CZ-CD1 3.72Å; F65-L69 HydrophobicContact CZ-CD2 4.17Å; F65-L69 HydrophobicContact CZ-CG 4.04Å; F65-L69 WeakPolarHBondContact O-CG 3.24Å; F65-L69 PolarHBondContact O-N 2.82Å
66	M	96.2	Very high	93.7	Very high	60 Å²	60	64.6 Å²	64.6	30%	0.296	30%	0.298	S	S	.	.	H	α-helix	trans	-63.9	-39.8	178.6	-69.4	-61.1	-67.5	0	0	112.3	R62 C63 L69 N70 Y285	R62-M66 HydrophobicContact CG-CG 4.43Å; R62-M66 WeakPolarHBondContact O-CB 3.3Å; R62-M66 VanDerWaalsContact O-CG 3.23Å; R62-M66 WeakPolarHBondContact O-CG 3.44Å; R62-M66 PolarHBondContact O-N 2.99Å; C63-M66 PolarHBondContact O-N 3.18Å; M66-L69 PolarHBondContact O-N 3.19Å; M66-L69 HydrophobicContact SD-CD1 4.45Å; M66-N70 PolarHBondContact O-N 3.03Å; M66-N70 PolarHBondContact O-ND2 2.86Å; M66-Y285 HydrophobicContact CB-CD1 3.79Å; M66-Y285 HydrophobicContact CB-CD2 3.86Å; M66-Y285 HydrophobicContact CB-CE1 3.8Å; M66-Y285 HydrophobicContact CB-CE2 3.87Å; M66-Y285 HydrophobicContact CB-CG 3.85Å; M66-Y285 HydrophobicContact CE-CE1 3.73Å; M66-Y285 HydrophobicContact CG-CD1 4.24Å; M66-Y285 HydrophobicContact CG-CE1 4.19Å
67	V	94.8	Very high	93.5	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-49.8	173.7	173.3	0	0	0	0	110	C63 L64 F65 L69 N70 I71 L278 V281 Y285 F471	C63-V67 WeakPolarHBondContact O-CG2 3.45Å; C63-V67 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 2.82Å; F65-V67 PolarHBondContact O-N 3.29Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.41Å; V67-N70 PolarHBondContact O-N 2.95Å; V67-N70 VanDerWaalsContact O-N 3.08Å; V67-I71 HydrophobicContact CG1-CG1 4.21Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.37Å; V67-I71 PolarHBondContact O-N 3Å; V67-L278 HydrophobicContact CG1-CD1 3.63Å; V67-V281 HydrophobicContact CB-CG2 4.23Å; V67-V281 HydrophobicContact CG1-CG2 3.69Å; V67-V281 HydrophobicContact CG2-CG2 4.08Å; V67-Y285 HydrophobicContact CG2-CD2 3.79Å; V67-F471 HydrophobicContact CB-CE1 4.32Å; V67-F471 HydrophobicContact CB-CZ 3.69Å; V67-F471 HydrophobicContact CG1-CE1 3.61Å; V67-F471 HydrophobicContact CG1-CE2 4.02Å; V67-F471 HydrophobicContact CG1-CZ 3.15Å
68	Q	92.8	Very high	93.4	Very high	54 Å²	54	65.1 Å²	65.1	25%	0.252	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-41.3	178.8	-176.4	69.1	28.2	0	0	111.7	L64 F65 N70 I71 L72 F471	L64-Q68 VanDerWaalsContact O-CB 3.3Å; L64-Q68 WeakPolarHBondContact O-CB 3.25Å; L64-Q68 PolarHBondContact O-N 2.88Å; F65-Q68 PolarHBondContact O-N 2.74Å; Q68-N70 PolarHBondContact O-N 3.09Å; Q68-I71 PolarHBondContact O-N 3.08Å; Q68-L72 HydrophobicContact CG-CD1 3.95Å; Q68-L72 HydrophobicContact CG-CG 4.25Å; Q68-L72 WeakPolarHBondContact O-CB 3.38Å; Q68-L72 VanDerWaalsContact O-CG 3.29Å; Q68-L72 WeakPolarHBondContact O-CG 3.4Å; Q68-L72 PolarHBondContact O-N 2.66Å; Q68-F471 HydrophobicContact CB-CE2 4.1Å; Q68-F471 VanDerWaalsContact OE1-CD2 3.3Å
69	L	95	Very high	93.3	Very high	79 Å²	79	62 Å²	62	41%	0.414	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-43.7	175.3	-74.6	-178.8	0	0	0	112.6	F65 M66 V67 I71 W73	F65-L69 HydrophobicContact CD1-CD1 3.97Å; F65-L69 HydrophobicContact CD1-CG 4.44Å; F65-L69 HydrophobicContact CE1-CD1 3.41Å; F65-L69 VanDerWaalsContact CE1-CD1 3.41Å; F65-L69 HydrophobicContact CE1-CG 4.09Å; F65-L69 HydrophobicContact CE2-CD1 4.49Å; F65-L69 HydrophobicContact CE2-CD2 4.41Å; F65-L69 HydrophobicContact CE2-CG 4.35Å; F65-L69 HydrophobicContact CZ-CD1 3.72Å; F65-L69 HydrophobicContact CZ-CD2 4.17Å; F65-L69 HydrophobicContact CZ-CG 4.04Å; F65-L69 WeakPolarHBondContact O-CG 3.24Å; F65-L69 PolarHBondContact O-N 2.82Å; M66-L69 PolarHBondContact O-N 3.19Å; M66-L69 HydrophobicContact SD-CD1 4.45Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.41Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.31Å; L69-W73 VanDerWaalsContact O-CB 3.29Å; L69-W73 WeakPolarHBondContact O-CB 3.32Å; L69-W73 PolarHBondContact O-N 3.43Å
70	N	94.4	Very high	93.1	Very high	46 Å²	46	58.2 Å²	58.2	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-39.1	177.7	-81.6	-97.7	0	0	0	111.3	M66 V67 Q68 L74 V281 Y285	M66-N70 PolarHBondContact O-N 3.03Å; M66-N70 PolarHBondContact O-ND2 2.86Å; V67-N70 PolarHBondContact O-N 2.95Å; V67-N70 VanDerWaalsContact O-N 3.08Å; Q68-N70 PolarHBondContact O-N 3.09Å; N70-L74 WeakPolarHBondContact O-CB 3.37Å; N70-L74 PolarHBondContact O-N 2.91Å; N70-V281 HydrophobicContact CB-CG1 4.14Å; N70-V281 HydrophobicContact CB-CG2 4.45Å; N70-Y285 PolarHBondContact ND2-OH 3.39Å; N70-Y285 VanDerWaalsContact ND2-OH 3.1Å
71	I	92.8	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-45.6	179.5	-65.7	-62.9	0	0	0	111.9	V67 Q68 L69 W73 L74 Q75 L274 T277 L278 P470	V67-I71 HydrophobicContact CG1-CG1 4.21Å; V67-I71 VanDerWaalsContact O-CG1 3.29Å; V67-I71 WeakPolarHBondContact O-CG1 3.37Å; V67-I71 PolarHBondContact O-N 3Å; Q68-I71 PolarHBondContact O-N 3.08Å; L69-I71 VanDerWaalsContact C-N 3.3Å; L69-I71 PolarHBondContact O-N 3.31Å; I71-W73 VanDerWaalsContact C-N 3.28Å; I71-W73 PolarHBondContact O-N 2.85Å; I71-L74 PolarHBondContact O-N 3.28Å; I71-Q75 WeakPolarHBondContact O-CG 3.42Å; I71-Q75 PolarHBondContact O-N 2.88Å; I71-L274 HydrophobicContact CD1-CD1 3.84Å; I71-L274 HydrophobicContact CG2-CD1 3.69Å; I71-T277 HydrophobicContact CD1-CG2 4.25Å; I71-L278 HydrophobicContact CD1-CB 4.07Å; I71-L278 HydrophobicContact CD1-CD1 3.95Å; I71-L278 HydrophobicContact CG1-CD1 3.92Å; I71-P470 HydrophobicContact CG2-CB 3.61Å; I71-P470 HydrophobicContact CG2-CG 3.5Å
72	L	92.6	Very high	92.9	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-39.9	175	-73	174.5	0	0	0	111.2	Q68 Q75 W76	Q68-L72 HydrophobicContact CG-CD1 3.95Å; Q68-L72 HydrophobicContact CG-CG 4.25Å; Q68-L72 WeakPolarHBondContact O-CB 3.38Å; Q68-L72 VanDerWaalsContact O-CG 3.29Å; Q68-L72 WeakPolarHBondContact O-CG 3.4Å; Q68-L72 PolarHBondContact O-N 2.66Å; L72-Q75 PolarHBondContact O-N 2.83Å; L72-W76 WeakPolarHBondContact O-CB 3.38Å; L72-W76 PolarHBondContact O-N 2.99Å
73	W	92.6	Very high	92.9	Very high	101 Å²	101	48.6 Å²	48.6	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-43.3	175.1	178.9	82.9	0	0	0	112.4	L69 I71 W76 T77 Q79	L69-W73 VanDerWaalsContact O-CB 3.29Å; L69-W73 WeakPolarHBondContact O-CB 3.32Å; L69-W73 PolarHBondContact O-N 3.43Å; I71-W73 VanDerWaalsContact C-N 3.28Å; I71-W73 PolarHBondContact O-N 2.85Å; W73-W76 PolarHBondContact O-N 2.65Å; W73-T77 HydrophobicContact CD2-CG2 4.27Å; W73-T77 HydrophobicContact CG-CG2 4.42Å; W73-T77 HydrophobicContact CZ2-CG2 4.35Å; W73-T77 WeakPolarHBondContact O-CB 3.48Å; W73-T77 WeakPolarHBondContact O-CG2 3.31Å; W73-T77 PolarHBondContact O-N 2.72Å; W73-T77 PolarHBondContact O-OG1 3.32Å; W73-Q79 VanDerWaalsContact CH2-CD 3.4Å; W73-Q79 VanDerWaalsContact CH2-NE2 3.29Å; W73-Q79 VanDerWaalsContact CZ2-NE2 3.32Å
74	L	92.8	Very high	92.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-48.2	175.1	178.5	60.6	0	0	0	110.9	N70 I71 T77 G78 Q79 M84 N249 L274 T277	N70-L74 WeakPolarHBondContact O-CB 3.37Å; N70-L74 PolarHBondContact O-N 2.91Å; I71-L74 PolarHBondContact O-N 3.28Å; L74-T77 PolarHBondContact O-OG1 3.29Å; L74-G78 WeakPolarHBondContact O-CA 3.45Å; L74-G78 PolarHBondContact O-N 3.49Å; L74-Q79 HydrophobicContact CD1-CB 4.17Å; L74-Q79 VanDerWaalsContact CD1-O 3.27Å; L74-Q79 WeakPolarHBondContact CD1-O 3.41Å; L74-M84 HydrophobicContact CD1-CE 4.4Å; L74-M84 HydrophobicContact CD1-SD 3.7Å; L74-N249 HydrophobicContact CD2-CB 4.33Å; L74-N249 HydrophobicContact CG-CB 4.29Å; L74-N249 PolarHBondContact O-OD1 3.32Å; L74-L274 HydrophobicContact CD2-CD1 4.29Å; L74-T277 HydrophobicContact CD2-CG2 4.02Å
75	Q	91.1	Very high	93.1	Very high	84 Å²	84	47 Å²	47	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-40.8	179	-69.8	-178.9	-63.1	0	0	112.7	I71 L72 L274	I71-Q75 WeakPolarHBondContact O-CG 3.42Å; I71-Q75 PolarHBondContact O-N 2.88Å; L72-Q75 PolarHBondContact O-N 2.83Å; Q75-L274 HydrophobicContact CG-CD1 4.41Å
76	W	91.6	Very high	93.2	Very high	213 Å²	213	46.5 Å²	46.5	81%	0.807	22%	0.218	S	C	*	.	H	α-helix	trans	-67.9	-42.2	179.9	176.8	62.2	0	0	0	112.2	L72 W73	L72-W76 WeakPolarHBondContact O-CB 3.38Å; L72-W76 PolarHBondContact O-N 2.99Å; W73-W76 PolarHBondContact O-N 2.65Å
77	T	92.1	Very high	93.2	Very high	24 Å²	24	49.4 Å²	49.4	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-80.5	-24.9	-180	59.9	0	0	0	0	113.1	W73 L74 Q79 R246	W73-T77 HydrophobicContact CD2-CG2 4.27Å; W73-T77 HydrophobicContact CG-CG2 4.42Å; W73-T77 HydrophobicContact CZ2-CG2 4.35Å; W73-T77 WeakPolarHBondContact O-CB 3.48Å; W73-T77 WeakPolarHBondContact O-CG2 3.31Å; W73-T77 PolarHBondContact O-N 2.72Å; W73-T77 PolarHBondContact O-OG1 3.32Å; L74-T77 PolarHBondContact O-OG1 3.29Å; T77-Q79 PolarHBondContact O-N 2.77Å; T77-Q79 WeakPolarHBondContact OG1-CG 3.31Å; T77-R246 VanDerWaalsContact O-CD 3.28Å; T77-R246 WeakPolarHBondContact O-CD 3.48Å; T77-R246 PolarHBondContact O-NH1 3.17Å
78	G	90.6	Very high	93.3	Very high	13 Å²	13	49.6 Å²	49.6	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	21.7	-174.2	0	0	0	0	0	113.4	L74 N80 R246	L74-G78 WeakPolarHBondContact O-CA 3.45Å; L74-G78 PolarHBondContact O-N 3.49Å; G78-N80 PolarHBondContact O-N 3.29Å; G78-R246 WeakPolarHBondContact O-CB 3.36Å; G78-R246 VanDerWaalsContact O-CD 3.3Å; G78-R246 WeakPolarHBondContact O-CD 3.23Å; G78-R246 VanDerWaalsContact O-CG 3.25Å; G78-R246 WeakPolarHBondContact O-CG 3.27Å
79	Q	92.2	Very high	93.6	Very high	26 Å²	26	47.6 Å²	47.6	12%	0.121	22%	0.219	C	C	.	.			trans	-60.6	130.8	-176.5	-78.8	-179.4	13.9	0	0	111.1	W73 L74 T77 D83 M84 N249	W73-Q79 VanDerWaalsContact CH2-CD 3.4Å; W73-Q79 VanDerWaalsContact CH2-NE2 3.29Å; W73-Q79 VanDerWaalsContact CZ2-NE2 3.32Å; L74-Q79 HydrophobicContact CD1-CB 4.17Å; L74-Q79 VanDerWaalsContact CD1-O 3.27Å; L74-Q79 WeakPolarHBondContact CD1-O 3.41Å; T77-Q79 PolarHBondContact O-N 2.77Å; T77-Q79 WeakPolarHBondContact OG1-CG 3.31Å; Q79-D83 HydrophobicContact CB-CB 3.92Å; Q79-D83 HydrophobicContact CG-CB 3.9Å; Q79-M84 HydrophobicContact CB-CG 4.14Å; Q79-N249 PolarHBondContact O-ND2 3.48Å
80	N	90.8	Very high	93.7	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.043	24%	0.237	C	C	.	.			trans	-84.1	177	170.4	63.3	45.4	0	0	0	110.6	G78 S82 D83 M84	G78-N80 PolarHBondContact O-N 3.29Å; N80-S82 VanDerWaalsContact C-N 3.26Å; N80-S82 PolarHBondContact O-N 3.01Å; N80-S82 WeakPolarHBondContact OD1-CA 3.39Å; N80-S82 WeakPolarHBondContact OD1-CB 3.44Å; N80-S82 PolarHBondContact OD1-N 3.47Å; N80-D83 PolarHBondContact O-N 3.45Å; N80-D83 PolarHBondContact OD1-N 2.95Å; N80-M84 WeakPolarHBondContact O-CG 3.45Å; N80-M84 PolarHBondContact O-N 2.82Å; N80-M84 VanDerWaalsContact O-N 3.11Å
81	F	90.1	Very high	93.8	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-30.8	-177.7	-144.8	-89.8	0	0	0	113.7	M84 F85 W147 L148 A151 L254 Y276 L315 L316	F81-M84 HydrophobicContact CB-CE 4.29Å; F81-M84 HydrophobicContact CD2-CE 3.51Å; F81-M84 HydrophobicContact CE2-CE 4.08Å; F81-M84 HydrophobicContact CG-CE 4.12Å; F81-F85 PolarHBondContact O-N 3.37Å; F81-W147 HydrophobicContact CD1-CH2 4.33Å; F81-W147 HydrophobicContact CD1-CZ3 4.2Å; F81-W147 AromaticContact CE1-CH2 3.57Å; F81-W147 HydrophobicContact CE1-CH2 3.57Å; F81-W147 AromaticContact CE1-CZ3 3.88Å; F81-W147 HydrophobicContact CE1-CZ3 3.88Å; F81-W147 HydrophobicContact CE2-CH2 4.29Å; F81-W147 AromaticContact CZ-CH2 3.54Å; F81-W147 HydrophobicContact CZ-CH2 3.54Å; F81-W147 HydrophobicContact CZ-CZ3 4.09Å; F81-L148 HydrophobicContact CD1-CD1 3.59Å; F81-L148 HydrophobicContact CE1-CD1 3.81Å; F81-A151 HydrophobicContact CB-CB 4.15Å; F81-L254 HydrophobicContact CB-CD1 4.04Å; F81-L254 HydrophobicContact CD2-CD1 4.02Å; F81-L254 HydrophobicContact CD2-CD2 3.46Å; F81-L254 VanDerWaalsContact CD2-CD2 3.46Å; F81-L254 HydrophobicContact CD2-CG 4.37Å; F81-L254 HydrophobicContact CE2-CD2 3.52Å; F81-L254 HydrophobicContact CG-CD1 3.98Å; F81-L254 HydrophobicContact CG-CD2 4.23Å; F81-L254 HydrophobicContact CZ-CD2 4.32Å; F81-Y276 AromaticContact CE2-CD1 3.53Å; F81-Y276 HydrophobicContact CE2-CD1 3.53Å; F81-Y276 AromaticContact CE2-CE1 3.68Å; F81-Y276 HydrophobicContact CE2-CE1 3.68Å; F81-Y276 HydrophobicContact CE2-CG 4.11Å; F81-Y276 AromaticContact CZ-CD1 3.94Å; F81-Y276 HydrophobicContact CZ-CD1 3.94Å; F81-Y276 AromaticContact CZ-CE1 3.57Å; F81-Y276 HydrophobicContact CZ-CE1 3.57Å; F81-L315 HydrophobicContact CE1-CB 4.28Å; F81-L315 HydrophobicContact CE1-CD1 3.93Å; F81-L315 HydrophobicContact CZ-CB 4.27Å; F81-L315 HydrophobicContact CZ-CD1 4.05Å; F81-L316 HydrophobicContact CE2-CD2 4.03Å; F81-L316 HydrophobicContact CZ-CD2 3.96Å
82	S	92.7	Very high	94	Very high	15 Å²	15	59.1 Å²	59.1	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-48.9	173.7	-168.8	0	0	0	0	111.5	N80 M84 F85 K86	N80-S82 VanDerWaalsContact C-N 3.26Å; N80-S82 PolarHBondContact O-N 3.01Å; N80-S82 WeakPolarHBondContact OD1-CA 3.39Å; N80-S82 WeakPolarHBondContact OD1-CB 3.44Å; N80-S82 PolarHBondContact OD1-N 3.47Å; S82-M84 VanDerWaalsContact C-N 3.34Å; S82-M84 PolarHBondContact O-N 2.9Å; S82-F85 PolarHBondContact O-N 3.06Å; S82-K86 WeakPolarHBondContact O-CB 3.45Å; S82-K86 PolarHBondContact O-N 3.24Å
83	D	94.2	Very high	94.2	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.214	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-46.5	177.8	-72.3	-20.3	0	0	0	111	Q79 N80 K86 Y87 R246	Q79-D83 HydrophobicContact CB-CB 3.92Å; Q79-D83 HydrophobicContact CG-CB 3.9Å; N80-D83 PolarHBondContact O-N 3.45Å; N80-D83 PolarHBondContact OD1-N 2.95Å; D83-K86 PolarHBondContact O-N 2.96Å; D83-Y87 WeakPolarHBondContact O-CB 3.36Å; D83-Y87 PolarHBondContact O-N 2.97Å; D83-R246 IonicContact OD2-CZ 3.69Å; D83-R246 IonicContact OD2-NE 2.63Å; D83-R246 PolarHBondContact OD2-NE 3.36Å; D83-R246 IonicContact OD2-NH2 3.19Å; D83-R246 PolarHBondContact OD2-NH2 2.96Å
84	M	95.1	Very high	94.4	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.069	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-48.4	-178.8	-68.7	-170.4	-69	0	0	112	L74 Q79 N80 F81 S82 Y87 T88 L316	L74-M84 HydrophobicContact CD1-CE 4.4Å; L74-M84 HydrophobicContact CD1-SD 3.7Å; Q79-M84 HydrophobicContact CB-CG 4.14Å; N80-M84 WeakPolarHBondContact O-CG 3.45Å; N80-M84 PolarHBondContact O-N 2.82Å; N80-M84 VanDerWaalsContact O-N 3.11Å; F81-M84 HydrophobicContact CB-CE 4.29Å; F81-M84 HydrophobicContact CD2-CE 3.51Å; F81-M84 HydrophobicContact CE2-CE 4.08Å; F81-M84 HydrophobicContact CG-CE 4.12Å; S82-M84 VanDerWaalsContact C-N 3.34Å; S82-M84 PolarHBondContact O-N 2.9Å; M84-Y87 WeakPolarHBondContact O-CB 3.33Å; M84-Y87 PolarHBondContact O-N 2.94Å; M84-T88 PolarHBondContact O-N 3.5Å; M84-T88 PolarHBondContact O-OG1 3.13Å; M84-L316 HydrophobicContact CB-CD2 3.99Å; M84-L316 HydrophobicContact CE-CD2 4.21Å; M84-L316 HydrophobicContact SD-CD2 4.11Å
85	F	97	Very high	94.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-39.8	179.8	-174.9	-112.9	0	0	0	111.9	F81 S82 Y87 T88 V89 F108 L111 D112 L148 L315	F81-F85 PolarHBondContact O-N 3.37Å; S82-F85 PolarHBondContact O-N 3.06Å; F85-Y87 VanDerWaalsContact C-N 3.26Å; F85-Y87 PolarHBondContact O-N 3.03Å; F85-T88 WeakPolarHBondContact O-CA 3.49Å; F85-T88 WeakPolarHBondContact O-CB 3.21Å; F85-T88 PolarHBondContact O-N 2.98Å; F85-V89 HydrophobicContact CD1-CG2 3.94Å; F85-V89 HydrophobicContact CD2-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 3.56Å; F85-V89 HydrophobicContact CE2-CG2 4.12Å; F85-V89 HydrophobicContact CG-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CG2 3.65Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 3.41Å; F85-F108 HydrophobicContact CE2-CD1 4.01Å; F85-F108 HydrophobicContact CE2-CE1 4.27Å; F85-F108 HydrophobicContact CZ-CD1 4.2Å; F85-L111 HydrophobicContact CE2-CD2 4.33Å; F85-L111 HydrophobicContact CZ-CB 4.37Å; F85-L111 HydrophobicContact CZ-CD2 3.85Å; F85-L111 HydrophobicContact CZ-CG 4.06Å; F85-D112 HydrophobicContact CE1-CB 3.84Å; F85-L148 HydrophobicContact CB-CD1 4.18Å; F85-L148 HydrophobicContact CD1-CD1 4.35Å; F85-L148 HydrophobicContact CD1-CD2 3.65Å; F85-L148 HydrophobicContact CD1-CG 4.49Å; F85-L148 HydrophobicContact CD2-CD2 4.47Å; F85-L148 HydrophobicContact CE1-CD2 3.64Å; F85-L148 HydrophobicContact CE2-CD2 4.49Å; F85-L148 HydrophobicContact CG-CD1 4.24Å; F85-L148 HydrophobicContact CG-CD2 4.07Å; F85-L148 HydrophobicContact CZ-CD2 4.09Å; F85-L315 HydrophobicContact CD2-CB 4.28Å; F85-L315 HydrophobicContact CD2-CD2 3.59Å; F85-L315 HydrophobicContact CE2-CD2 3.54Å; F85-L315 HydrophobicContact CG-CD2 4.41Å; F85-L315 HydrophobicContact CZ-CD2 4.3Å
86	K	95.7	Very high	95	Very high	111 Å²	111	58.9 Å²	58.9	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-57.8	-40.9	173.8	-176.5	176.2	-178.1	174.6	0	111.5	S82 D83 V89 K90	S82-K86 WeakPolarHBondContact O-CB 3.45Å; S82-K86 PolarHBondContact O-N 3.24Å; D83-K86 PolarHBondContact O-N 2.96Å; K86-V89 PolarHBondContact O-N 3.48Å; K86-K90 WeakPolarHBondContact O-CB 3.34Å; K86-K90 PolarHBondContact O-N 2.91Å
87	Y	96.4	Very high	95.3	Very high	122 Å²	122	50.1 Å²	50.1	48%	0.478	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-43.7	173.3	176.9	-96.5	0	0	0	111.9	D83 M84 F85 K90 K91	D83-Y87 WeakPolarHBondContact O-CB 3.36Å; D83-Y87 PolarHBondContact O-N 2.97Å; M84-Y87 WeakPolarHBondContact O-CB 3.33Å; M84-Y87 PolarHBondContact O-N 2.94Å; F85-Y87 VanDerWaalsContact C-N 3.26Å; F85-Y87 PolarHBondContact O-N 3.03Å; Y87-K90 PolarHBondContact O-N 3.14Å; Y87-K91 HydrophobicContact CE1-CD 3.92Å; Y87-K91 VanDerWaalsContact O-CB 3.3Å; Y87-K91 WeakPolarHBondContact O-CB 3.11Å; Y87-K91 PolarHBondContact O-N 2.99Å
88	T	97.6	Very high	95.6	Very high	6 Å²	6	49 Å²	49	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-48.7	174.7	-62.7	0	0	0	0	112	M84 F85 K90 K91 R92 F108 L315 L316 G318	M84-T88 PolarHBondContact O-N 3.5Å; M84-T88 PolarHBondContact O-OG1 3.13Å; F85-T88 WeakPolarHBondContact O-CA 3.49Å; F85-T88 WeakPolarHBondContact O-CB 3.21Å; F85-T88 PolarHBondContact O-N 2.98Å; T88-K90 PolarHBondContact O-N 3.45Å; T88-K91 PolarHBondContact O-N 3.39Å; T88-R92 HydrophobicContact CG2-CG 4.29Å; T88-R92 WeakPolarHBondContact O-CB 3.35Å; T88-R92 WeakPolarHBondContact O-CG 3.49Å; T88-R92 PolarHBondContact O-N 3.33Å; T88-F108 HydrophobicContact CG2-CD1 4.37Å; T88-F108 HydrophobicContact CG2-CE1 3.9Å; T88-L315 VanDerWaalsContact CB-O 3.3Å; T88-L315 WeakPolarHBondContact CB-O 3.38Å; T88-L315 WeakPolarHBondContact CG2-O 3.43Å; T88-L315 PolarHBondContact OG1-O 3.23Å; T88-L316 PolarHBondContact OG1-O 2.89Å; T88-G318 VanDerWaalsContact CG2-CA 3.49Å
89	V	98	Very high	96	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-46.8	178.3	176.1	0	0	0	0	110.6	F85 K86 K91 R92 G93 P94 F108 D112	F85-V89 HydrophobicContact CD1-CG2 3.94Å; F85-V89 HydrophobicContact CD2-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 3.56Å; F85-V89 HydrophobicContact CE2-CG2 4.12Å; F85-V89 HydrophobicContact CG-CG2 4.41Å; F85-V89 HydrophobicContact CZ-CG2 3.65Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 3.41Å; K86-V89 PolarHBondContact O-N 3.48Å; V89-K91 PolarHBondContact O-N 3.3Å; V89-R92 PolarHBondContact O-N 2.88Å; V89-G93 CarbonylContact O-C 3.48Å; V89-G93 WeakPolarHBondContact O-CA 3.5Å; V89-G93 PolarHBondContact O-N 3.24Å; V89-P94 HydrophobicContact CG1-CB 4.35Å; V89-F108 HydrophobicContact CG1-CB 4.38Å; V89-F108 HydrophobicContact CG2-CB 4.22Å; V89-F108 HydrophobicContact CG2-CD1 4.38Å; V89-D112 HydrophobicContact CG2-CB 4.07Å
90	K	97.5	Very high	96.3	Very high	183 Å²	183	49.7 Å²	49.7	80%	0.796	25%	0.252	S	S	*	.	H	α-helix	trans	-60.5	-43.6	177	-176.7	178.5	179.2	179.3	0	111.9	K86 Y87 T88	K86-K90 WeakPolarHBondContact O-CB 3.34Å; K86-K90 PolarHBondContact O-N 2.91Å; Y87-K90 PolarHBondContact O-N 3.14Å; T88-K90 PolarHBondContact O-N 3.45Å
91	K	97.1	Very high	96.6	Very high	125 Å²	125	49.9 Å²	49.9	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-70.9	-36.2	-177.4	-176.4	176.2	-177.7	174.6	0	112.9	Y87 T88 V89	Y87-K91 HydrophobicContact CE1-CD 3.92Å; Y87-K91 VanDerWaalsContact O-CB 3.3Å; Y87-K91 WeakPolarHBondContact O-CB 3.11Å; Y87-K91 PolarHBondContact O-N 2.99Å; T88-K91 PolarHBondContact O-N 3.39Å; V89-K91 PolarHBondContact O-N 3.3Å
92	R	95.8	Very high	96.6	Very high	59 Å²	59	53.8 Å²	53.8	22%	0.223	27%	0.271	C	S	.	.	H	α-helix	trans	-85.7	-24.3	-179.8	-63.9	-58.2	-71.6	157	-10.9	113.5	T88 V89 K96 F108 Q291 G318	T88-R92 HydrophobicContact CG2-CG 4.29Å; T88-R92 WeakPolarHBondContact O-CB 3.35Å; T88-R92 WeakPolarHBondContact O-CG 3.49Å; T88-R92 PolarHBondContact O-N 3.33Å; V89-R92 PolarHBondContact O-N 2.88Å; R92-K96 HydrophobicContact CB-CB 4.45Å; R92-F108 HydrophobicContact CB-CD2 4.09Å; R92-F108 HydrophobicContact CB-CE2 4.22Å; R92-F108 HydrophobicContact CG-CE2 4.23Å; R92-F108 HydrophobicContact CG-CZ 4.42Å; R92-Q291 PolarHBondContact NH2-O 2.95Å; R92-G318 PolarHBondContact NE-O 3.11Å
93	G	97.3	Very high	96.5	Very high	24 Å²	24	60.2 Å²	60.2	25%	0.247	30%	0.304	C	S	.	.			trans	87.3	134.8	-169.3	0	0	0	0	0	110.7	V89 G95 K96	V89-G93 CarbonylContact O-C 3.48Å; V89-G93 WeakPolarHBondContact O-CA 3.5Å; V89-G93 PolarHBondContact O-N 3.24Å; G93-G95 PolarHBondContact O-N 3.5Å; G93-K96 WeakPolarHBondContact O-CB 3.41Å; G93-K96 PolarHBondContact O-N 3.36Å; G93-K96 VanDerWaalsContact O-N 3.12Å
94	P	97.1	Very high	96.5	Very high	78 Å²	78	59.6 Å²	59.6	51%	0.506	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-29.1	-174.7	24.3	-34.1	0	0	0	113.2	V89 K96 T107 F108 G109	V89-P94 HydrophobicContact CG1-CB 4.35Å; P94-K96 VanDerWaalsContact C-N 3.3Å; P94-K96 PolarHBondContact O-N 2.98Å; P94-T107 VanDerWaalsContact O-CB 3.25Å; P94-T107 WeakPolarHBondContact O-CB 3.21Å; P94-T107 PolarHBondContact O-OG1 3.19Å; P94-F108 PolarHBondContact O-N 3.32Å; P94-G109 PolarHBondContact O-N 2.92Å
95	G	98	Very high	96.6	Very high	64 Å²	64	62.1 Å²	62.1	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.9	178.7	0	0	0	0	0	115.1	G93	G93-G95 PolarHBondContact O-N 3.5Å
96	K	98.2	Very high	96.7	Very high	97 Å²	97	62.1 Å²	62.1	42%	0.422	32%	0.316	S	S	.	.	S	Bend	trans	-73	138.8	178.2	-175.3	64.1	179.2	177.6	0	109.9	R92 G93 P94 A98 T107 F108	R92-K96 HydrophobicContact CB-CB 4.45Å; G93-K96 WeakPolarHBondContact O-CB 3.41Å; G93-K96 PolarHBondContact O-N 3.36Å; G93-K96 VanDerWaalsContact O-N 3.12Å; P94-K96 VanDerWaalsContact C-N 3.3Å; P94-K96 PolarHBondContact O-N 2.98Å; K96-A98 PolarHBondContact O-N 3.41Å; K96-T107 CarbonylContact O-C 3.45Å; K96-T107 VanDerWaalsContact O-CA 3.23Å; K96-T107 WeakPolarHBondContact O-CA 3.36Å; K96-T107 WeakPolarHBondContact O-CB 3.36Å; K96-F108 HydrophobicContact CB-CD2 4.05Å; K96-F108 HydrophobicContact CG-CD2 4.31Å; K96-F108 HydrophobicContact CG-CE2 4.34Å; K96-F108 WeakPolarHBondContact O-CD2 3.33Å; K96-F108 PolarHBondContact O-N 3.19Å
97	V	98.5	Very high	96.8	Very high	29 Å²	29	58.1 Å²	58.1	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.5	174.9	-176.3	0	0	0	0	110.6	Y100 V105 T320	V97-Y100 HydrophobicContact CG1-CD1 4.37Å; V97-Y100 HydrophobicContact CG1-CD2 4.13Å; V97-Y100 HydrophobicContact CG1-CE1 4.02Å; V97-Y100 HydrophobicContact CG1-CE2 3.79Å; V97-Y100 HydrophobicContact CG1-CG 4.43Å; V97-V105 HydrophobicContact CB-CG1 4.35Å; V97-V105 HydrophobicContact CG1-CG1 3.68Å; V97-V105 HydrophobicContact CG2-CG1 3.73Å; V97-T320 HydrophobicContact CB-CG2 4.35Å; V97-T320 HydrophobicContact CG1-CG2 3.88Å; V97-T320 PolarHBondContact O-OG1 2.88Å
98	A	98.6	Very high	96.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-48.8	174.3	0	0	0	0	0	110.9	K96 W106 F108 M314 T320 I321	K96-A98 PolarHBondContact O-N 3.41Å; A98-W106 PolarHBondContact N-O 2.91Å; A98-F108 HydrophobicContact CB-CB 4.47Å; A98-F108 HydrophobicContact CB-CD1 3.94Å; A98-F108 HydrophobicContact CB-CD2 3.81Å; A98-F108 HydrophobicContact CB-CE1 4Å; A98-F108 HydrophobicContact CB-CE2 3.86Å; A98-F108 HydrophobicContact CB-CG 3.82Å; A98-F108 HydrophobicContact CB-CZ 3.94Å; A98-M314 HydrophobicContact CB-CG 4.18Å; A98-M314 HydrophobicContact CB-SD 3.77Å; A98-T320 WeakPolarHBondContact O-CA 3.44Å; A98-I321 PolarHBondContact O-N 2.88Å
99	I	98.7	Very high	97	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.3	-173.6	-48.7	166	0	0	0	110.4	F101 W106 L111 P141 I144 M314 I321 I323	I99-F101 HydrophobicContact CG2-CB 4.28Å; I99-W106 HydrophobicContact CB-CB 4.08Å; I99-W106 PolarHBondContact N-O 3.48Å; I99-W106 PolarHBondContact O-N 3.18Å; I99-L111 HydrophobicContact CD1-CD1 4.36Å; I99-L111 HydrophobicContact CD1-CD2 4.07Å; I99-P141 HydrophobicContact CD1-CB 4.02Å; I99-P141 HydrophobicContact CG2-CG 4.21Å; I99-I144 HydrophobicContact CD1-CD1 3.85Å; I99-M314 HydrophobicContact CD1-CE 4.24Å; I99-M314 HydrophobicContact CD1-SD 3.94Å; I99-M314 HydrophobicContact CG1-CE 4.25Å; I99-M314 HydrophobicContact CG1-SD 3.32Å; I99-M314 WeakPolarHBondContact CG1-SD 3.09Å; I99-I321 CarbonylContact C-O 3.42Å; I99-I321 WeakPolarHBondContact CA-O 3.4Å; I99-I321 HydrophobicContact CB-CG1 4.38Å; I99-I321 HydrophobicContact CG1-CD1 4.17Å; I99-I321 HydrophobicContact CG1-CG1 4Å; I99-I321 HydrophobicContact CG2-CG1 4.25Å; I99-I323 HydrophobicContact CG2-CD1 3.78Å; I99-I323 HydrophobicContact CG2-CG1 3.6Å
100	Y	98.5	Very high	97	Very high	55 Å²	55	53.3 Å²	53.3	22%	0.216	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.1	155.6	-65.8	-75.2	0	0	0	108.9	V97 V105 T320 I321 V322 I323 Y339	V97-Y100 HydrophobicContact CG1-CD1 4.37Å; V97-Y100 HydrophobicContact CG1-CD2 4.13Å; V97-Y100 HydrophobicContact CG1-CE1 4.02Å; V97-Y100 HydrophobicContact CG1-CE2 3.79Å; V97-Y100 HydrophobicContact CG1-CG 4.43Å; Y100-V105 HydrophobicContact CD1-CB 4.5Å; Y100-V105 HydrophobicContact CD1-CG1 4.17Å; Y100-V105 HydrophobicContact CD1-CG2 3.89Å; Y100-V105 HydrophobicContact CE1-CG1 3.87Å; Y100-V105 HydrophobicContact CE1-CG2 3.93Å; Y100-T320 HydrophobicContact CD2-CG2 3.76Å; Y100-T320 HydrophobicContact CE2-CG2 3.67Å; Y100-I321 PolarHBondContact N-O 3.41Å; Y100-V322 HydrophobicContact CD2-CG2 3.86Å; Y100-V322 HydrophobicContact CG-CG2 4.36Å; Y100-V322 WeakPolarHBondContact O-CA 3.42Å; Y100-I323 PolarHBondContact O-N 2.93Å; Y100-Y339 AromaticContact CD1-CD1 3.63Å; Y100-Y339 HydrophobicContact CD1-CD1 3.63Å; Y100-Y339 AromaticContact CD1-CE1 3.79Å; Y100-Y339 HydrophobicContact CD1-CE1 3.79Å; Y100-Y339 HydrophobicContact CD2-CD1 4Å; Y100-Y339 HydrophobicContact CE1-CD1 4.23Å; Y100-Y339 AromaticContact CG-CD1 3.51Å; Y100-Y339 HydrophobicContact CG-CD1 3.51Å; Y100-Y339 AromaticContact CG-CE1 3.91Å; Y100-Y339 HydrophobicContact CG-CE1 3.91Å; Y100-Y339 HydrophobicContact CG-CG 4.32Å
101	F	97.1	Very high	97	Very high	11 Å²	11	44.6 Å²	44.6	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	105.8	177.6	171.2	-105.8	0	0	0	109	I99 D103 Q104 C140 P141 I323	I99-F101 HydrophobicContact CG2-CB 4.28Å; F101-D103 PolarHBondContact O-N 3.42Å; F101-D103 VanDerWaalsContact O-N 3.12Å; F101-Q104 HydrophobicContact CD1-CB 4.48Å; F101-Q104 HydrophobicContact CD1-CG 4.31Å; F101-Q104 PolarHBondContact N-O 3.26Å; F101-Q104 WeakPolarHBondContact O-CA 3.45Å; F101-Q104 VanDerWaalsContact O-CB 3.31Å; F101-Q104 WeakPolarHBondContact O-CB 3.46Å; F101-Q104 PolarHBondContact O-N 2.93Å; F101-C140 HydrophobicContact CE1-CB 4.05Å; F101-C140 HydrophobicContact CE2-CB 4.09Å; F101-C140 HydrophobicContact CZ-CB 3.7Å; F101-P141 HydrophobicContact CB-CG 3.66Å; F101-P141 VanDerWaalsContact CD1-CD 3.47Å; F101-P141 HydrophobicContact CD1-CG 3.98Å; F101-P141 HydrophobicContact CG-CG 3.89Å; F101-I323 HydrophobicContact CB-CG1 4.07Å; F101-I323 HydrophobicContact CD2-CD1 4.18Å; F101-I323 HydrophobicContact CD2-CG1 3.9Å; F101-I323 HydrophobicContact CG-CG1 4.42Å
102	E	90.5	Very high	97.1	Very high	84 Å²	84	39.9 Å²	39.9	39%	0.393	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-118.4	-175.2	-57.8	177.2	173	0	0	109.9	Y339	E102-Y339 PolarHBondContact O-OH 2.93Å
103	D	88.8	Confident	97.2	Very high	150 Å²	150	37.2 Å²	37.2	80%	0.802	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	0.3	178.2	-59.1	-40.5	0	0	0	113.6	F101 K338	F101-D103 PolarHBondContact O-N 3.42Å; F101-D103 VanDerWaalsContact O-N 3.12Å; D103-K338 IonicContact OD1-NZ 3.08Å
104	Q	95	Very high	97.2	Very high	26 Å²	26	36.3 Å²	36.3	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	143.5	-179.9	-53.1	-179.9	18.7	0	0	112.3	F101 L214	F101-Q104 HydrophobicContact CD1-CB 4.48Å; F101-Q104 HydrophobicContact CD1-CG 4.31Å; F101-Q104 PolarHBondContact N-O 3.26Å; F101-Q104 WeakPolarHBondContact O-CA 3.45Å; F101-Q104 VanDerWaalsContact O-CB 3.31Å; F101-Q104 WeakPolarHBondContact O-CB 3.46Å; F101-Q104 PolarHBondContact O-N 2.93Å; Q104-L214 HydrophobicContact CG-CD2 4.14Å
105	V	97.9	Very high	97.2	Very high	67 Å²	67	32.6 Å²	32.6	41%	0.406	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.9	172.9	-172.3	0	0	0	0	108.9	V97 Y100 P215	V97-V105 HydrophobicContact CB-CG1 4.35Å; V97-V105 HydrophobicContact CG1-CG1 3.68Å; V97-V105 HydrophobicContact CG2-CG1 3.73Å; Y100-V105 HydrophobicContact CD1-CB 4.5Å; Y100-V105 HydrophobicContact CD1-CG1 4.17Å; Y100-V105 HydrophobicContact CD1-CG2 3.89Å; Y100-V105 HydrophobicContact CE1-CG1 3.87Å; Y100-V105 HydrophobicContact CE1-CG2 3.93Å; V105-P215 VanDerWaalsContact O-CG 3.28Å; V105-P215 WeakPolarHBondContact O-CG 3.34Å
106	W	98.5	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.6	176.7	-72.5	69	0	0	0	110.4	A98 I99 Q110 Y114 P141 S213 L214 P215 A218	A98-W106 PolarHBondContact N-O 2.91Å; I99-W106 HydrophobicContact CB-CB 4.08Å; I99-W106 PolarHBondContact N-O 3.48Å; I99-W106 PolarHBondContact O-N 3.18Å; W106-Q110 HydrophobicContact CE3-CB 4.01Å; W106-Q110 HydrophobicContact CZ3-CB 4.46Å; W106-Y114 AromaticContact CH2-CD2 3.96Å; W106-Y114 HydrophobicContact CH2-CD2 3.96Å; W106-Y114 HydrophobicContact CH2-CG 4.16Å; W106-Y114 HydrophobicContact CZ3-CD2 4.35Å; W106-Y114 HydrophobicContact CZ3-CG 4.14Å; W106-P141 HydrophobicContact CD2-CB 3.81Å; W106-P141 VanDerWaalsContact CE2-CB 3.48Å; W106-P141 HydrophobicContact CG-CB 3.95Å; W106-P141 HydrophobicContact CG-CG 4.28Å; W106-P141 HydrophobicContact CZ2-CB 3.99Å; W106-S213 WeakPolarHBondContact CZ2-O 3.44Å; W106-L214 WeakPolarHBondContact CH2-O 3.35Å; W106-L214 WeakPolarHBondContact CZ2-O 3.42Å; W106-P215 HydrophobicContact CD2-CB 4.16Å; W106-P215 HydrophobicContact CD2-CG 4.06Å; W106-P215 HydrophobicContact CG-CB 4.36Å; W106-P215 HydrophobicContact CG-CG 3.96Å; W106-P215 HydrophobicContact CZ2-CG 4.49Å; W106-A218 HydrophobicContact CZ3-CB 4.43Å
107	T	98.6	Very high	97.2	Very high	28 Å²	28	25.3 Å²	25.3	17%	0.172	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	162.2	169.9	64.4	0	0	0	0	111.8	P94 K96 G109 Q110 L111	P94-T107 VanDerWaalsContact O-CB 3.25Å; P94-T107 WeakPolarHBondContact O-CB 3.21Å; P94-T107 PolarHBondContact O-OG1 3.19Å; K96-T107 CarbonylContact O-C 3.45Å; K96-T107 VanDerWaalsContact O-CA 3.23Å; K96-T107 WeakPolarHBondContact O-CA 3.36Å; K96-T107 WeakPolarHBondContact O-CB 3.36Å; T107-G109 PolarHBondContact O-N 3.44Å; T107-Q110 PolarHBondContact O-N 3.08Å; T107-Q110 VanDerWaalsContact OG1-CD 3.31Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.44Å; T107-Q110 PolarHBondContact OG1-N 3.26Å; T107-Q110 PolarHBondContact OG1-OE1 3.39Å; T107-L111 PolarHBondContact O-N 2.96Å
108	F	98.5	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.6	-38.6	174.5	-83.6	-78	0	0	0	112.2	F85 T88 V89 R92 P94 K96 A98 D112 M314	F85-F108 HydrophobicContact CE2-CD1 4.01Å; F85-F108 HydrophobicContact CE2-CE1 4.27Å; F85-F108 HydrophobicContact CZ-CD1 4.2Å; T88-F108 HydrophobicContact CG2-CD1 4.37Å; T88-F108 HydrophobicContact CG2-CE1 3.9Å; V89-F108 HydrophobicContact CG1-CB 4.38Å; V89-F108 HydrophobicContact CG2-CB 4.22Å; V89-F108 HydrophobicContact CG2-CD1 4.38Å; R92-F108 HydrophobicContact CB-CD2 4.09Å; R92-F108 HydrophobicContact CB-CE2 4.22Å; R92-F108 HydrophobicContact CG-CE2 4.23Å; R92-F108 HydrophobicContact CG-CZ 4.42Å; P94-F108 PolarHBondContact O-N 3.32Å; K96-F108 HydrophobicContact CB-CD2 4.05Å; K96-F108 HydrophobicContact CG-CD2 4.31Å; K96-F108 HydrophobicContact CG-CE2 4.34Å; K96-F108 WeakPolarHBondContact O-CD2 3.33Å; K96-F108 PolarHBondContact O-N 3.19Å; A98-F108 HydrophobicContact CB-CB 4.47Å; A98-F108 HydrophobicContact CB-CD1 3.94Å; A98-F108 HydrophobicContact CB-CD2 3.81Å; A98-F108 HydrophobicContact CB-CE1 4Å; A98-F108 HydrophobicContact CB-CE2 3.86Å; A98-F108 HydrophobicContact CB-CG 3.82Å; A98-F108 HydrophobicContact CB-CZ 3.94Å; F108-D112 WeakPolarHBondContact O-CB 3.48Å; F108-D112 PolarHBondContact O-N 3.18Å; F108-M314 HydrophobicContact CE1-CG 3.79Å; F108-M314 WeakPolarHBondContact CE1-O 3.38Å; F108-M314 HydrophobicContact CZ-CG 3.85Å
109	G	98.2	Very high	97.2	Very high	6 Å²	6	24 Å²	24	6%	0.062	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-41.7	177.6	0	0	0	0	0	112.8	P94 T107 D112 A113 Y219	P94-G109 PolarHBondContact O-N 2.92Å; T107-G109 PolarHBondContact O-N 3.44Å; G109-D112 PolarHBondContact O-N 2.95Å; G109-A113 WeakPolarHBondContact O-CB 3.22Å; G109-A113 PolarHBondContact O-N 3.26Å; G109-Y219 PolarHBondContact O-OH 3.06Å; G109-Y219 VanDerWaalsContact O-OH 3.05Å
110	Q	98.3	Very high	97.1	Very high	34 Å²	34	25.3 Å²	25.3	16%	0.159	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-42.9	177.1	-74.8	162.3	-41.6	0	0	111.7	W106 T107 D112 A113 Y114 P215 A218 Y219	W106-Q110 HydrophobicContact CE3-CB 4.01Å; W106-Q110 HydrophobicContact CZ3-CB 4.46Å; T107-Q110 PolarHBondContact O-N 3.08Å; T107-Q110 VanDerWaalsContact OG1-CD 3.31Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.44Å; T107-Q110 PolarHBondContact OG1-N 3.26Å; T107-Q110 PolarHBondContact OG1-OE1 3.39Å; Q110-D112 VanDerWaalsContact C-N 3.31Å; Q110-D112 PolarHBondContact O-N 3.36Å; Q110-A113 PolarHBondContact O-N 2.95Å; Q110-Y114 WeakPolarHBondContact O-CB 3.41Å; Q110-Y114 PolarHBondContact O-N 2.86Å; Q110-P215 HydrophobicContact CG-CB 4.44Å; Q110-P215 VanDerWaalsContact NE2-CB 3.29Å; Q110-A218 HydrophobicContact CB-CB 4.09Å; Q110-A218 HydrophobicContact CG-CB 4.42Å; Q110-A218 VanDerWaalsContact O-CB 3.24Å; Q110-A218 WeakPolarHBondContact O-CB 3.48Å; Q110-Y219 HydrophobicContact CB-CE2 4.44Å; Q110-Y219 HydrophobicContact CG-CD2 4.29Å; Q110-Y219 HydrophobicContact CG-CE2 3.52Å; Q110-Y219 PolarHBondContact N-OH 3.42Å
111	L	98.3	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-38.6	175.5	-176.8	61.8	0	0	0	111.7	F85 I99 T107 S115 I144 L148 M314 L315	F85-L111 HydrophobicContact CE2-CD2 4.33Å; F85-L111 HydrophobicContact CZ-CB 4.37Å; F85-L111 HydrophobicContact CZ-CD2 3.85Å; F85-L111 HydrophobicContact CZ-CG 4.06Å; I99-L111 HydrophobicContact CD1-CD1 4.36Å; I99-L111 HydrophobicContact CD1-CD2 4.07Å; T107-L111 PolarHBondContact O-N 2.96Å; L111-S115 WeakPolarHBondContact O-CB 3.26Å; L111-S115 PolarHBondContact O-N 3.47Å; L111-S115 PolarHBondContact O-OG 3.46Å; L111-I144 HydrophobicContact CD2-CG2 4.42Å; L111-L148 HydrophobicContact CG-CD2 4.42Å; L111-M314 HydrophobicContact CD2-CE 3.43Å; L111-M314 VanDerWaalsContact CD2-CE 3.43Å; L111-M314 HydrophobicContact CD2-SD 4.03Å; L111-L315 HydrophobicContact CD2-CD2 4.35Å
112	D	98.1	Very high	97.1	Very high	25 Å²	25	23.8 Å²	23.8	13%	0.134	13%	0.125	C	C	.	.	H	α-helix	trans	-65.4	-46.2	175.4	-167.5	55.5	0	0	0	112.3	F85 V89 F108 G109 Q110 S115 N116 K152	F85-D112 HydrophobicContact CE1-CB 3.84Å; V89-D112 HydrophobicContact CG2-CB 4.07Å; F108-D112 WeakPolarHBondContact O-CB 3.48Å; F108-D112 PolarHBondContact O-N 3.18Å; G109-D112 PolarHBondContact O-N 2.95Å; Q110-D112 VanDerWaalsContact C-N 3.31Å; Q110-D112 PolarHBondContact O-N 3.36Å; D112-S115 WeakPolarHBondContact CA-OG 3.29Å; D112-S115 PolarHBondContact O-N 3.44Å; D112-S115 PolarHBondContact O-OG 3.45Å; D112-N116 WeakPolarHBondContact O-CB 3.49Å; D112-N116 PolarHBondContact O-N 3.39Å; D112-N116 PolarHBondContact O-ND2 3.21Å; D112-N116 PolarHBondContact O-OD1 3.04Å; D112-N116 PolarHBondContact OD2-ND2 2.87Å; D112-K152 PolarHBondContact O-NZ 3.16Å; D112-K152 IonicContact OD1-NZ 3.64Å; D112-K152 PolarHBondContact OD1-NZ 3.26Å
113	A	97.9	Very high	97.4	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-62.6	-43.8	177.5	0	0	0	0	0	112.2	G109 Q110 N116 K117 A218 Y219 H238	G109-A113 WeakPolarHBondContact O-CB 3.22Å; G109-A113 PolarHBondContact O-N 3.26Å; Q110-A113 PolarHBondContact O-N 2.95Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 2.92Å; A113-K117 PolarHBondContact O-N 3.19Å; A113-A218 HydrophobicContact CB-CB 4.14Å; A113-Y219 HydrophobicContact CB-CD1 3.82Å; A113-Y219 HydrophobicContact CB-CE1 3.28Å; A113-H238 HydrophobicContact CB-CB 4.04Å
114	Y	97.9	Very high	97.8	Very high	5 Å²	5	22.4 Å²	22.4	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-47.3	175.9	-176.6	-85.9	0	0	0	111.7	W106 Q110 N116 K117 V118 A142 I146 L233	W106-Y114 AromaticContact CH2-CD2 3.96Å; W106-Y114 HydrophobicContact CH2-CD2 3.96Å; W106-Y114 HydrophobicContact CH2-CG 4.16Å; W106-Y114 HydrophobicContact CZ3-CD2 4.35Å; W106-Y114 HydrophobicContact CZ3-CG 4.14Å; Q110-Y114 WeakPolarHBondContact O-CB 3.41Å; Q110-Y114 PolarHBondContact O-N 2.86Å; Y114-N116 VanDerWaalsContact C-N 3.29Å; Y114-N116 PolarHBondContact O-N 2.79Å; Y114-K117 WeakPolarHBondContact O-CB 3.2Å; Y114-K117 PolarHBondContact O-N 2.99Å; Y114-V118 HydrophobicContact CD1-CG2 4.21Å; Y114-V118 HydrophobicContact CE1-CG2 3.88Å; Y114-V118 WeakPolarHBondContact O-CG2 3.28Å; Y114-V118 PolarHBondContact O-N 3.31Å; Y114-V118 VanDerWaalsContact O-N 3.13Å; Y114-A142 HydrophobicContact CE1-CB 4.18Å; Y114-A142 WeakPolarHBondContact OH-CB 3.4Å; Y114-I146 HydrophobicContact CE1-CG1 4.28Å; Y114-L233 HydrophobicContact CE1-CD1 4.44Å; Y114-L233 HydrophobicContact CE2-CD1 4.02Å
115	S	98	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.6	-28.6	177.2	55.9	0	0	0	0	113	L111 D112 V118 A119 G145 G149 K152	L111-S115 WeakPolarHBondContact O-CB 3.26Å; L111-S115 PolarHBondContact O-N 3.47Å; L111-S115 PolarHBondContact O-OG 3.46Å; D112-S115 WeakPolarHBondContact CA-OG 3.29Å; D112-S115 PolarHBondContact O-N 3.44Å; D112-S115 PolarHBondContact O-OG 3.45Å; S115-V118 PolarHBondContact O-N 2.97Å; S115-A119 WeakPolarHBondContact O-CB 3.24Å; S115-A119 PolarHBondContact O-N 3.43Å; S115-G145 WeakPolarHBondContact CB-O 3.29Å; S115-G149 WeakPolarHBondContact O-CA 3.41Å; S115-K152 PolarHBondContact OG-NZ 2.8Å
116	N	98	Very high	97.8	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-42.1	171	-72.7	-20.8	0	0	0	111.8	D112 A113 Y114 V118 A119 N120 K152 H238 C239 P241	D112-N116 WeakPolarHBondContact O-CB 3.49Å; D112-N116 PolarHBondContact O-N 3.39Å; D112-N116 PolarHBondContact O-ND2 3.21Å; D112-N116 PolarHBondContact O-OD1 3.04Å; D112-N116 PolarHBondContact OD2-ND2 2.87Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 2.92Å; Y114-N116 VanDerWaalsContact C-N 3.29Å; Y114-N116 PolarHBondContact O-N 2.79Å; N116-V118 VanDerWaalsContact C-N 3.32Å; N116-V118 PolarHBondContact O-N 3.08Å; N116-A119 WeakPolarHBondContact O-CB 3.3Å; N116-A119 PolarHBondContact O-N 3.22Å; N116-N120 WeakPolarHBondContact O-CB 3.34Å; N116-N120 VanDerWaalsContact O-CG 3.26Å; N116-N120 PolarHBondContact O-N 3.31Å; N116-N120 PolarHBondContact O-ND2 3.5Å; N116-K152 PolarHBondContact OD1-NZ 3.19Å; N116-H238 VanDerWaalsContact CB-O 3.24Å; N116-H238 WeakPolarHBondContact CB-O 3.41Å; N116-H238 PolarHBondContact ND2-O 3.09Å; N116-H238 VanDerWaalsContact ND2-O 3.17Å; N116-C239 WeakPolarHBondContact CB-O 3.24Å; N116-P241 VanDerWaalsContact OD1-CD 3.24Å; N116-P241 WeakPolarHBondContact OD1-CD 3.26Å
117	K	97.7	Very high	97.7	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-44.5	173.9	-72.2	-177.6	162.4	-169.8	0	111.9	A113 Y114 N120 Y121 T217 A218 S220 L233 V236 H238	A113-K117 PolarHBondContact O-N 3.19Å; Y114-K117 WeakPolarHBondContact O-CB 3.2Å; Y114-K117 PolarHBondContact O-N 2.99Å; K117-N120 PolarHBondContact O-N 2.85Å; K117-Y121 WeakPolarHBondContact O-CB 3.38Å; K117-Y121 PolarHBondContact O-N 2.76Å; K117-T217 PolarHBondContact NZ-O 2.99Å; K117-A218 WeakPolarHBondContact CE-O 3.4Å; K117-S220 PolarHBondContact NZ-O 3.48Å; K117-L233 HydrophobicContact CB-CD2 4.42Å; K117-V236 WeakPolarHBondContact CE-O 3.3Å; K117-H238 HydrophobicContact CD-CB 4.38Å; K117-H238 HydrophobicContact CG-CB 3.79Å
118	V	97.9	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-49.6	176	174.3	0	0	0	0	110.6	Y114 S115 N116 N120 Y121 L122 I146 W229 L233	Y114-V118 HydrophobicContact CD1-CG2 4.21Å; Y114-V118 HydrophobicContact CE1-CG2 3.88Å; Y114-V118 WeakPolarHBondContact O-CG2 3.28Å; Y114-V118 PolarHBondContact O-N 3.31Å; Y114-V118 VanDerWaalsContact O-N 3.13Å; S115-V118 PolarHBondContact O-N 2.97Å; N116-V118 VanDerWaalsContact C-N 3.32Å; N116-V118 PolarHBondContact O-N 3.08Å; V118-N120 PolarHBondContact O-N 2.94Å; V118-Y121 PolarHBondContact O-N 3.38Å; V118-L122 HydrophobicContact CG1-CD1 3.89Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.21Å; V118-L122 PolarHBondContact O-N 3Å; V118-I146 WeakPolarHBondContact CG1-O 3.38Å; V118-I146 HydrophobicContact CG2-CG1 4.41Å; V118-W229 HydrophobicContact CG1-CH2 4.22Å; V118-W229 HydrophobicContact CG1-CZ2 3.97Å; V118-W229 HydrophobicContact CG2-CZ2 4.04Å; V118-L233 HydrophobicContact CB-CD2 4.49Å; V118-L233 HydrophobicContact CG2-CD1 3.79Å; V118-L233 HydrophobicContact CG2-CD2 4.05Å
119	A	98	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-50.1	178.5	0	0	0	0	0	112.1	S115 N116 Y121 L122 A123 G149 K152 V153 P241	S115-A119 WeakPolarHBondContact O-CB 3.24Å; S115-A119 PolarHBondContact O-N 3.43Å; N116-A119 WeakPolarHBondContact O-CB 3.3Å; N116-A119 PolarHBondContact O-N 3.22Å; A119-Y121 VanDerWaalsContact C-N 3.32Å; A119-Y121 PolarHBondContact O-N 2.96Å; A119-L122 PolarHBondContact O-N 3.44Å; A119-A123 WeakPolarHBondContact O-CB 3.3Å; A119-A123 PolarHBondContact O-N 2.88Å; A119-G149 WeakPolarHBondContact CB-O 3.4Å; A119-K152 HydrophobicContact CB-CB 3.82Å; A119-K152 HydrophobicContact CB-CD 4.36Å; A119-V153 HydrophobicContact CB-CG1 3.99Å; A119-V153 WeakPolarHBondContact O-CG1 3.48Å; A119-P241 HydrophobicContact CB-CB 3.93Å; A119-P241 HydrophobicContact CB-CG 3.73Å
120	N	97.9	Very high	97.1	Very high	29 Å²	29	33.9 Å²	33.9	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-36.4	179.8	-69.6	-28.6	0	0	0	112.1	N116 K117 V118 K124 V236 P237 C239 P241	N116-N120 WeakPolarHBondContact O-CB 3.34Å; N116-N120 VanDerWaalsContact O-CG 3.26Å; N116-N120 PolarHBondContact O-N 3.31Å; N116-N120 PolarHBondContact O-ND2 3.5Å; K117-N120 PolarHBondContact O-N 2.85Å; V118-N120 PolarHBondContact O-N 2.94Å; N120-K124 WeakPolarHBondContact O-CB 3.37Å; N120-K124 PolarHBondContact O-N 2.85Å; N120-V236 HydrophobicContact CB-CG1 3.4Å; N120-P237 PolarHBondContact ND2-O 3.16Å; N120-C239 PolarHBondContact ND2-O 2.7Å; N120-P241 WeakPolarHBondContact OD1-CA 3.32Å; N120-P241 WeakPolarHBondContact OD1-CB 3.39Å
121	Y	97.8	Very high	97.1	Very high	34 Å²	34	34.4 Å²	34.4	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-69.5	-46.7	177.5	-179.7	-116.9	0	0	0	111.7	K117 V118 A119 A123 K124 C125 W206 W229 A232 L233 V236	K117-Y121 WeakPolarHBondContact O-CB 3.38Å; K117-Y121 PolarHBondContact O-N 2.76Å; V118-Y121 PolarHBondContact O-N 3.38Å; A119-Y121 VanDerWaalsContact C-N 3.32Å; A119-Y121 PolarHBondContact O-N 2.96Å; Y121-A123 VanDerWaalsContact C-N 3.31Å; Y121-A123 PolarHBondContact O-N 3.13Å; Y121-K124 WeakPolarHBondContact O-CA 3.36Å; Y121-K124 WeakPolarHBondContact O-CB 3.46Å; Y121-K124 PolarHBondContact O-N 3.36Å; Y121-K124 VanDerWaalsContact O-N 3.08Å; Y121-C125 PolarHBondContact O-N 3Å; Y121-W206 AromaticContact CE1-CE2 3.78Å; Y121-W206 AromaticContact CE1-CZ2 3.9Å; Y121-W206 HydrophobicContact CE1-CZ2 3.9Å; Y121-W206 AromaticContact CE1-NE1 3.47Å; Y121-W206 AromaticContact CZ-NE1 3.64Å; Y121-W206 PolarHBondContact OH-NE1 3.19Å; Y121-W229 HydrophobicContact CD1-CH2 4.44Å; Y121-W229 HydrophobicContact CD1-CZ3 4.12Å; Y121-W229 HydrophobicContact CE1-CE3 4.36Å; Y121-W229 HydrophobicContact CE1-CZ3 4.07Å; Y121-A232 HydrophobicContact CD1-CB 4.42Å; Y121-A232 HydrophobicContact CD2-CB 4.23Å; Y121-A232 HydrophobicContact CE1-CB 3.84Å; Y121-A232 HydrophobicContact CE2-CB 3.64Å; Y121-A232 VanDerWaalsContact CZ-CB 3.42Å; Y121-L233 HydrophobicContact CD1-CD2 4.18Å; Y121-L233 HydrophobicContact CG-CD2 4.21Å; Y121-V236 HydrophobicContact CD2-CG2 3.85Å; Y121-V236 HydrophobicContact CG-CG2 4.36Å
122	L	97.9	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-42.8	176.5	-69.9	176.1	0	0	0	111.2	V118 A119 K124 C125 G126 F127 L133 A150 V153 W206 W229	V118-L122 HydrophobicContact CG1-CD1 3.89Å; V118-L122 HydrophobicContact CG1-CG 4.33Å; V118-L122 WeakPolarHBondContact O-CG 3.21Å; V118-L122 PolarHBondContact O-N 3Å; A119-L122 PolarHBondContact O-N 3.44Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3Å; L122-C125 CarbonylContact O-C 3.49Å; L122-C125 PolarHBondContact O-N 3.25Å; L122-G126 PolarHBondContact O-N 3.24Å; L122-F127 HydrophobicContact CB-CB 4.11Å; L122-F127 HydrophobicContact CB-CD2 4.42Å; L122-F127 HydrophobicContact CB-CG 4.32Å; L122-F127 HydrophobicContact CD2-CD2 4Å; L122-F127 HydrophobicContact CD2-CE2 4.13Å; L122-F127 HydrophobicContact CD2-CG 4.23Å; L122-F127 HydrophobicContact CD2-CZ 4.43Å; L122-F127 WeakPolarHBondContact O-CB 3.18Å; L122-F127 PolarHBondContact O-N 3.09Å; L122-L133 HydrophobicContact CD1-CD2 4.15Å; L122-L133 HydrophobicContact CD2-CD1 4.41Å; L122-L133 HydrophobicContact CD2-CD2 4.35Å; L122-A150 HydrophobicContact CD1-CB 3.88Å; L122-V153 HydrophobicContact CB-CG2 4.18Å; L122-V153 HydrophobicContact CD1-CG2 4.35Å; L122-W206 HydrophobicContact CD2-CH2 4.47Å; L122-W229 HydrophobicContact CD2-CH2 4.32Å
123	A	96.7	Very high	97.1	Very high	51 Å²	51	34.2 Å²	34.2	42%	0.421	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-40.7	173.4	0	0	0	0	0	112.3	A119 Y121 C125 G126 V153	A119-A123 WeakPolarHBondContact O-CB 3.3Å; A119-A123 PolarHBondContact O-N 2.88Å; Y121-A123 VanDerWaalsContact C-N 3.31Å; Y121-A123 PolarHBondContact O-N 3.13Å; A123-C125 VanDerWaalsContact C-N 3.34Å; A123-C125 PolarHBondContact O-N 3.42Å; A123-G126 WeakPolarHBondContact O-CA 3.39Å; A123-G126 PolarHBondContact O-N 2.98Å; A123-V153 HydrophobicContact CB-CG1 4.27Å
124	K	96.4	Very high	97.1	Very high	154 Å²	154	34 Å²	34	67%	0.67	19%	0.189	S	C	*	.	H	α-helix	trans	-63.3	-36.8	174.5	-176.4	-175.5	177.5	-177.2	0	112.4	N120 Y121 L122 G126	N120-K124 WeakPolarHBondContact O-CB 3.37Å; N120-K124 PolarHBondContact O-N 2.85Å; Y121-K124 WeakPolarHBondContact O-CA 3.36Å; Y121-K124 WeakPolarHBondContact O-CB 3.46Å; Y121-K124 PolarHBondContact O-N 3.36Å; Y121-K124 VanDerWaalsContact O-N 3.08Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 3Å; K124-G126 PolarHBondContact O-N 3.13Å
125	C	96.6	Very high	97.1	Very high	42 Å²	42	33.8 Å²	33.8	28%	0.284	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-1.1	171.2	-68.8	0	0	0	0	113.2	Y121 L122 A123 F127 R179	Y121-C125 PolarHBondContact O-N 3Å; L122-C125 CarbonylContact O-C 3.49Å; L122-C125 PolarHBondContact O-N 3.25Å; A123-C125 VanDerWaalsContact C-N 3.34Å; A123-C125 PolarHBondContact O-N 3.42Å; C125-F127 HydrophobicContact CB-CD2 3.9Å; C125-F127 HydrophobicContact CB-CE2 4.14Å; C125-R179 PolarHBondContact O-NH2 3.04Å
126	G	96.5	Very high	97.1	Very high	29 Å²	29	33.8 Å²	33.8	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	14.7	177.3	0	0	0	0	0	114.2	L122 A123 K124 R179	L122-G126 PolarHBondContact O-N 3.24Å; A123-G126 WeakPolarHBondContact O-CA 3.39Å; A123-G126 PolarHBondContact O-N 2.98Å; K124-G126 PolarHBondContact O-N 3.13Å; G126-R179 PolarHBondContact O-NH1 3.05Å
127	F	97.5	Very high	97.1	Very high	10 Å²	10	33.6 Å²	33.6	4%	0.044	19%	0.187	C	C	.	.			trans	-61.8	139.6	171.3	-80	-106.9	0	0	0	110.1	L122 C125 D131 L133 V155 R179 W206	L122-F127 HydrophobicContact CB-CB 4.11Å; L122-F127 HydrophobicContact CB-CD2 4.42Å; L122-F127 HydrophobicContact CB-CG 4.32Å; L122-F127 HydrophobicContact CD2-CD2 4Å; L122-F127 HydrophobicContact CD2-CE2 4.13Å; L122-F127 HydrophobicContact CD2-CG 4.23Å; L122-F127 HydrophobicContact CD2-CZ 4.43Å; L122-F127 WeakPolarHBondContact O-CB 3.18Å; L122-F127 PolarHBondContact O-N 3.09Å; C125-F127 HydrophobicContact CB-CD2 3.9Å; C125-F127 HydrophobicContact CB-CE2 4.14Å; F127-D131 WeakPolarHBondContact CA-OD2 3.36Å; F127-D131 HydrophobicContact CD1-CB 3.93Å; F127-L133 HydrophobicContact CE1-CD1 4.28Å; F127-L133 HydrophobicContact CZ-CD1 4.3Å; F127-V155 HydrophobicContact CB-CG2 3.8Å; F127-V155 HydrophobicContact CD1-CG1 4.05Å; F127-V155 HydrophobicContact CD1-CG2 4.01Å; F127-V155 HydrophobicContact CG-CG2 4.37Å; F127-R179 HydrophobicContact CE1-CB 3.83Å; F127-R179 HydrophobicContact CE1-CG 4.21Å; F127-R179 HydrophobicContact CZ-CB 4.05Å; F127-R179 HydrophobicContact CZ-CG 4.06Å; F127-W206 AromaticContact CE2-CH2 3.74Å; F127-W206 HydrophobicContact CE2-CH2 3.74Å; F127-W206 AromaticContact CZ-CH2 3.91Å; F127-W206 HydrophobicContact CZ-CH2 3.91Å; F127-W206 HydrophobicContact CZ-CZ3 4.32Å
128	K	94.8	Very high	97	Very high	149 Å²	149	34.4 Å²	34.4	65%	0.648	19%	0.192	S	C	*	.			trans	-128.3	166.3	-179	-63.6	177.5	-173.2	175.3	0	110.4	G130 D131	K128-G130 PolarHBondContact O-N 2.88Å; K128-D131 PolarHBondContact N-OD2 3.41Å; K128-D131 VanDerWaalsContact O-CB 3.3Å; K128-D131 WeakPolarHBondContact O-CB 3.48Å; K128-D131 PolarHBondContact O-N 3.33Å
129	R	94.6	Very high	96.9	Very high	78 Å²	78	34.6 Å²	34.6	29%	0.294	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	131.3	171.8	171.5	-179	-85.8	155.6	-6.8	110.6	G154 Q245 E252	R129-G154 VanDerWaalsContact CA-O 3.28Å; R129-G154 WeakPolarHBondContact CA-O 3.4Å; R129-Q245 PolarHBondContact NH1-O 2.95Å; R129-Q245 PolarHBondContact NH2-O 3.42Å; R129-E252 IonicContact CZ-OE2 2.68Å; R129-E252 IonicContact NE-OE1 3.79Å; R129-E252 IonicContact NE-OE2 2.97Å; R129-E252 PolarHBondContact NE-OE2 2.89Å; R129-E252 IonicContact NH2-OE2 3.18Å; R129-E252 PolarHBondContact NH2-OE2 3.4Å
130	G	93	Very high	96.9	Very high	60 Å²	60	34.7 Å²	34.7	62%	0.619	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	94	-15.8	-178.5	0	0	0	0	0	114.3	K128 G154	K128-G130 PolarHBondContact O-N 2.88Å; G130-G154 PolarHBondContact N-O 3.3Å
131	D	97.3	Very high	96.9	Very high	44 Å²	44	33.4 Å²	33.4	24%	0.235	19%	0.187	C	C	.	.			trans	-66.4	157.8	169.3	-67.3	-14.3	0	0	0	110.2	F127 K128 V155 A156 R179	F127-D131 WeakPolarHBondContact CA-OD2 3.36Å; F127-D131 HydrophobicContact CD1-CB 3.93Å; K128-D131 PolarHBondContact N-OD2 3.41Å; K128-D131 VanDerWaalsContact O-CB 3.3Å; K128-D131 WeakPolarHBondContact O-CB 3.48Å; K128-D131 PolarHBondContact O-N 3.33Å; D131-V155 HydrophobicContact CB-CG2 4.33Å; D131-V155 WeakPolarHBondContact O-CA 3.29Å; D131-V155 WeakPolarHBondContact O-CG1 3.44Å; D131-A156 PolarHBondContact O-N 3.01Å; D131-R179 IonicContact OD2-NH1 3.62Å; D131-R179 PolarHBondContact OD2-NH1 3.38Å
132	I	97.9	Very high	96.9	Very high	22 Å²	22	31.8 Å²	31.8	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.2	179.8	-57.9	171.3	0	0	0	109.9	A156 L176 A178 R179 Y256	I132-A156 WeakPolarHBondContact CA-O 3.3Å; I132-A156 HydrophobicContact CG1-CB 4.48Å; I132-L176 HydrophobicContact CD1-CB 4.43Å; I132-L176 VanDerWaalsContact CD1-O 3.26Å; I132-L176 WeakPolarHBondContact CD1-O 3.31Å; I132-L176 HydrophobicContact CG2-CB 4.2Å; I132-L176 HydrophobicContact CG2-CD1 4.34Å; I132-A178 HydrophobicContact CB-CB 4.12Å; I132-A178 HydrophobicContact CG2-CB 3.88Å; I132-A178 WeakPolarHBondContact O-CB 3.26Å; I132-R179 PolarHBondContact O-N 3.09Å; I132-Y256 HydrophobicContact CD1-CE2 3.72Å; I132-Y256 HydrophobicContact CG1-CE2 3.93Å; I132-Y256 HydrophobicContact CG2-CD2 4.41Å; I132-Y256 HydrophobicContact CG2-CE2 4.25Å
133	L	98.5	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	170.9	-177.3	72.4	0	0	0	109.2	L122 F127 I146 A150 V155 A156 T157 G158 V182 W206	L122-L133 HydrophobicContact CD1-CD2 4.15Å; L122-L133 HydrophobicContact CD2-CD1 4.41Å; L122-L133 HydrophobicContact CD2-CD2 4.35Å; F127-L133 HydrophobicContact CE1-CD1 4.28Å; F127-L133 HydrophobicContact CZ-CD1 4.3Å; L133-I146 HydrophobicContact CD2-CG2 4.15Å; L133-A150 HydrophobicContact CD2-CB 4.27Å; L133-V155 HydrophobicContact CB-CG1 3.79Å; L133-A156 PolarHBondContact N-O 3.06Å; L133-T157 CarbonylContact O-C 3.57Å; L133-T157 WeakPolarHBondContact O-CA 3.22Å; L133-T157 WeakPolarHBondContact O-CG2 3.18Å; L133-G158 PolarHBondContact O-N 3.17Å; L133-V182 HydrophobicContact CD1-CG2 4.2Å; L133-V182 HydrophobicContact CD2-CG2 4.2Å; L133-V182 HydrophobicContact CG-CG2 4.46Å; L133-W206 HydrophobicContact CD1-CE3 4.44Å; L133-W206 HydrophobicContact CD1-CZ3 3.76Å
134	L	98.3	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.8	171.5	-64.8	173	0	0	0	110.7	I160 I173 L176 A178 G180 I181 V182 L202	L134-I160 HydrophobicContact CB-CD1 3.98Å; L134-I160 HydrophobicContact CD1-CD1 4.13Å; L134-I160 HydrophobicContact CD2-CD1 4.14Å; L134-I160 HydrophobicContact CD2-CG1 4.42Å; L134-I160 HydrophobicContact CG-CD1 4.28Å; L134-I173 HydrophobicContact CD1-CB 4.12Å; L134-I173 HydrophobicContact CD1-CG1 4.15Å; L134-I173 HydrophobicContact CD1-CG2 3.8Å; L134-L176 HydrophobicContact CD2-CB 4.27Å; L134-L176 HydrophobicContact CD2-CD1 3.74Å; L134-A178 HydrophobicContact CD1-CB 3.73Å; L134-A178 HydrophobicContact CD2-CB 4Å; L134-A178 HydrophobicContact CG-CB 3.42Å; L134-A178 VanDerWaalsContact CG-CB 3.42Å; L134-G180 PolarHBondContact N-O 3.45Å; L134-I181 HydrophobicContact CB-CB 3.87Å; L134-I181 HydrophobicContact CB-CD1 3.87Å; L134-I181 HydrophobicContact CB-CG1 3.59Å; L134-I181 HydrophobicContact CD1-CD1 4.26Å; L134-I181 CarbonylContact O-C 3.55Å; L134-I181 WeakPolarHBondContact O-CA 3.32Å; L134-V182 PolarHBondContact O-N 2.84Å; L134-L202 HydrophobicContact CD1-CD2 4.28Å
135	L	98.6	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.8	175.7	-176.1	58.5	0	0	0	109.8	M137 Y143 I146 W147 T157 G158 L159 I160 V182	L135-M137 HydrophobicContact CD1-CB 4.01Å; L135-M137 HydrophobicContact CG-CB 4.49Å; L135-Y143 HydrophobicContact CD2-CD1 4.05Å; L135-Y143 HydrophobicContact CD2-CD2 3.68Å; L135-Y143 HydrophobicContact CD2-CE1 3.95Å; L135-Y143 HydrophobicContact CD2-CE2 3.57Å; L135-Y143 HydrophobicContact CD2-CG 3.89Å; L135-Y143 HydrophobicContact CG-CD2 4Å; L135-Y143 HydrophobicContact CG-CE2 3.72Å; L135-I146 HydrophobicContact CD1-CD1 4.11Å; L135-I146 HydrophobicContact CD1-CG2 4.08Å; L135-I146 HydrophobicContact CD2-CB 4.47Å; L135-I146 HydrophobicContact CD2-CG2 4.38Å; L135-W147 HydrophobicContact CD2-CB 4.45Å; L135-T157 HydrophobicContact CB-CG2 3.69Å; L135-T157 HydrophobicContact CD2-CG2 4.39Å; L135-G158 PolarHBondContact N-O 3.48Å; L135-L159 HydrophobicContact CB-CD2 4.43Å; L135-L159 HydrophobicContact CD2-CD2 4.37Å; L135-I160 PolarHBondContact O-N 3.21Å; L135-V182 HydrophobicContact CD1-CB 3.99Å; L135-V182 HydrophobicContact CD1-CG1 4.33Å
136	F	97.2	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	81.6	178.1	-176.2	-130.5	0	0	0	109.6	I160 N161 L169 I181 V182 V183 G184 L187 T190 F191	F136-I160 HydrophobicContact CB-CB 4.13Å; F136-I160 HydrophobicContact CB-CD1 4.27Å; F136-I160 HydrophobicContact CB-CG2 4.45Å; F136-I160 HydrophobicContact CD2-CB 3.82Å; F136-I160 HydrophobicContact CD2-CG2 3.41Å; F136-I160 VanDerWaalsContact CD2-CG2 3.41Å; F136-I160 HydrophobicContact CE2-CG2 3.91Å; F136-I160 HydrophobicContact CG-CB 4.38Å; F136-I160 HydrophobicContact CG-CG2 4.2Å; F136-N161 WeakPolarHBondContact CE2-O 3.41Å; F136-L169 HydrophobicContact CD2-CD1 4.37Å; F136-L169 HydrophobicContact CE1-CD1 4.49Å; F136-L169 HydrophobicContact CE1-CD2 3.97Å; F136-L169 HydrophobicContact CE2-CD1 4.09Å; F136-L169 HydrophobicContact CZ-CD1 4.18Å; F136-L169 HydrophobicContact CZ-CD2 3.92Å; F136-I181 HydrophobicContact CB-CD1 4.14Å; F136-V182 PolarHBondContact N-O 3.2Å; F136-V183 HydrophobicContact CD1-CG1 4.03Å; F136-V183 CarbonylContact O-C 3.58Å; F136-V183 WeakPolarHBondContact O-CA 3.37Å; F136-G184 PolarHBondContact O-N 3Å; F136-L187 HydrophobicContact CD1-CB 4.11Å; F136-L187 HydrophobicContact CD1-CD1 4.29Å; F136-L187 HydrophobicContact CD2-CD1 4.15Å; F136-L187 HydrophobicContact CE1-CB 3.77Å; F136-L187 HydrophobicContact CE1-CD1 4.19Å; F136-L187 HydrophobicContact CE1-CG 4.48Å; F136-L187 HydrophobicContact CE2-CD1 4.1Å; F136-L187 HydrophobicContact CG-CD1 4.27Å; F136-L187 HydrophobicContact CZ-CB 4.29Å; F136-L187 HydrophobicContact CZ-CD1 4.1Å; F136-T190 HydrophobicContact CE1-CG2 4.47Å; F136-T190 HydrophobicContact CZ-CG2 4.26Å; F136-F191 HydrophobicContact CD1-CB 4.34Å; F136-F191 HydrophobicContact CE1-CB 4.3Å
137	M	97.5	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.			trans	-148.7	147.3	-170.8	-168.7	172.6	90.5	0	0	110.7	L135 C140 A142 Y143 I146 T162 A208 E210	L135-M137 HydrophobicContact CD1-CB 4.01Å; L135-M137 HydrophobicContact CG-CB 4.49Å; M137-C140 WeakPolarHBondContact CE-SG 3.31Å; M137-A142 HydrophobicContact CE-CB 4.15Å; M137-Y143 HydrophobicContact CB-CD2 4.08Å; M137-Y143 HydrophobicContact CE-CD2 4.17Å; M137-Y143 HydrophobicContact CE-CG 4.34Å; M137-Y143 WeakPolarHBondContact O-CE2 3.2Å; M137-I146 HydrophobicContact CE-CD1 4.12Å; M137-I146 HydrophobicContact SD-CD1 4.23Å; M137-T162 VanDerWaalsContact O-CG2 3.3Å; M137-T162 WeakPolarHBondContact O-CG2 3.45Å; M137-A208 HydrophobicContact SD-CB 4.1Å; M137-E210 HydrophobicContact CE-CG 4.37Å; M137-E210 HydrophobicContact CG-CG 3.53Å; M137-E210 HydrophobicContact SD-CG 3.64Å
138	N	95.7	Very high	97.2	Very high	20 Å²	20	18.4 Å²	18.4	11%	0.107	10%	0.1	C	C	.	.			trans	-65.4	159.4	172	-74.3	-49.7	0	0	0	111.3	C140 S186	N138-C140 PolarHBondContact O-N 2.93Å; N138-S186 PolarHBondContact ND2-OG 2.87Å
139	S	96.4	Very high	97.4	Very high	5 Å²	5	11.3 Å²	11.3	4%	0.035	7%	0.069	C	C	.	.	S	Bend	trans	-59.2	125.2	177.2	-60.6	0	0	0	0	110.7	L301 R324 S325	S139-L301 WeakPolarHBondContact OG-CG 3.45Å; S139-L301 PolarHBondContact OG-N 3.3Å; S139-R324 VanDerWaalsContact CB-O 3.32Å; S139-R324 WeakPolarHBondContact CB-O 3.33Å; S139-S325 VanDerWaalsContact O-CA 3.23Å; S139-S325 WeakPolarHBondContact O-CA 3.12Å; S139-S325 WeakPolarHBondContact O-CB 3.34Å; S139-S325 PolarHBondContact O-OG 3.34Å
140	C	97.2	Very high	97.5	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.014	6%	0.055	C	C	.	.	S	Bend	trans	-163.4	171.7	168.2	74.3	0	0	0	0	109.5	F101 M137 N138 A142 Y143	F101-C140 HydrophobicContact CE1-CB 4.05Å; F101-C140 HydrophobicContact CE2-CB 4.09Å; F101-C140 HydrophobicContact CZ-CB 3.7Å; M137-C140 WeakPolarHBondContact CE-SG 3.31Å; N138-C140 PolarHBondContact O-N 2.93Å; C140-A142 VanDerWaalsContact C-N 3.28Å; C140-A142 PolarHBondContact O-N 2.84Å; C140-Y143 WeakPolarHBondContact O-CB 3.32Å; C140-Y143 PolarHBondContact O-N 3.16Å
141	P	98.1	Very high	97.8	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.006	3%	0.029	C	C	.	.	H	α-helix	trans	-57.4	-37.8	178.9	-28.9	38	0	0	0	113.8	I99 F101 W106 Y143 I144 G145 I323	I99-P141 HydrophobicContact CD1-CB 4.02Å; I99-P141 HydrophobicContact CG2-CG 4.21Å; F101-P141 HydrophobicContact CB-CG 3.66Å; F101-P141 VanDerWaalsContact CD1-CD 3.47Å; F101-P141 HydrophobicContact CD1-CG 3.98Å; F101-P141 HydrophobicContact CG-CG 3.89Å; W106-P141 HydrophobicContact CD2-CB 3.81Å; W106-P141 VanDerWaalsContact CE2-CB 3.48Å; W106-P141 HydrophobicContact CG-CB 3.95Å; W106-P141 HydrophobicContact CG-CG 4.28Å; W106-P141 HydrophobicContact CZ2-CB 3.99Å; P141-Y143 VanDerWaalsContact C-N 3.26Å; P141-Y143 PolarHBondContact O-N 3.3Å; P141-I144 PolarHBondContact O-N 3.24Å; P141-G145 PolarHBondContact O-N 3.2Å; P141-I323 HydrophobicContact CG-CD1 4.48Å
142	A	97.6	Very high	97.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-62.1	-32.4	176.2	0	0	0	0	0	112.8	Y114 M137 C140 I144 G145 I146	Y114-A142 HydrophobicContact CE1-CB 4.18Å; Y114-A142 WeakPolarHBondContact OH-CB 3.4Å; M137-A142 HydrophobicContact CE-CB 4.15Å; C140-A142 VanDerWaalsContact C-N 3.28Å; C140-A142 PolarHBondContact O-N 2.84Å; A142-I144 VanDerWaalsContact C-N 3.27Å; A142-I144 PolarHBondContact O-N 2.61Å; A142-G145 PolarHBondContact O-N 3.33Å; A142-I146 WeakPolarHBondContact O-CB 3.49Å; A142-I146 WeakPolarHBondContact O-CD1 2.88Å; A142-I146 WeakPolarHBondContact O-CG1 3.38Å; A142-I146 PolarHBondContact O-N 3.2Å
143	Y	98.5	Very high	97.6	Very high	1 Å²	1	2.8 Å²	2.8	0%	0.004	2%	0.017	C	C	.	.	H	α-helix	trans	-54.7	-48	175.1	-173.4	-80.5	0	0	0	110.6	L135 M137 C140 P141 I146 W147 L159 L301 Y302	L135-Y143 HydrophobicContact CD2-CD1 4.05Å; L135-Y143 HydrophobicContact CD2-CD2 3.68Å; L135-Y143 HydrophobicContact CD2-CE1 3.95Å; L135-Y143 HydrophobicContact CD2-CE2 3.57Å; L135-Y143 HydrophobicContact CD2-CG 3.89Å; L135-Y143 HydrophobicContact CG-CD2 4Å; L135-Y143 HydrophobicContact CG-CE2 3.72Å; M137-Y143 HydrophobicContact CB-CD2 4.08Å; M137-Y143 HydrophobicContact CE-CD2 4.17Å; M137-Y143 HydrophobicContact CE-CG 4.34Å; M137-Y143 WeakPolarHBondContact O-CE2 3.2Å; C140-Y143 WeakPolarHBondContact O-CB 3.32Å; C140-Y143 PolarHBondContact O-N 3.16Å; P141-Y143 VanDerWaalsContact C-N 3.26Å; P141-Y143 PolarHBondContact O-N 3.3Å; Y143-I146 PolarHBondContact O-N 2.94Å; Y143-W147 VanDerWaalsContact O-CD1 3.25Å; Y143-W147 PolarHBondContact O-N 2.9Å; Y143-L159 HydrophobicContact CE1-CD2 4.39Å; Y143-L159 WeakPolarHBondContact OH-CB 3.49Å; Y143-L159 WeakPolarHBondContact OH-CD2 3.42Å; Y143-L301 HydrophobicContact CD1-CB 3.71Å; Y143-L301 HydrophobicContact CD1-CD1 4.09Å; Y143-L301 HydrophobicContact CE1-CB 3.65Å; Y143-L301 HydrophobicContact CG-CB 4.4Å; Y143-L301 HydrophobicContact CG-CD1 4.47Å; Y143-Y302 VanDerWaalsContact OH-CA 3.26Å; Y143-Y302 WeakPolarHBondContact OH-CA 3.44Å; Y143-Y302 VanDerWaalsContact OH-CB 3.29Å; Y143-Y302 WeakPolarHBondContact OH-CB 3.41Å
144	I	98.4	Very high	97.5	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-66.7	-46	179.4	-56.2	169	0	0	0	110	I99 L111 P141 A142 I146 L148 L301 V311 M314 L315 I321 I323	I99-I144 HydrophobicContact CD1-CD1 3.85Å; L111-I144 HydrophobicContact CD2-CG2 4.42Å; P141-I144 PolarHBondContact O-N 3.24Å; A142-I144 VanDerWaalsContact C-N 3.27Å; A142-I144 PolarHBondContact O-N 2.61Å; I144-I146 VanDerWaalsContact C-N 3.3Å; I144-I146 PolarHBondContact O-N 3.12Å; I144-L148 WeakPolarHBondContact O-CB 3.14Å; I144-L148 PolarHBondContact O-N 2.82Å; I144-L301 HydrophobicContact CD1-CD1 3.97Å; I144-L301 HydrophobicContact CG1-CD1 3.77Å; I144-V311 HydrophobicContact CD1-CG1 3.99Å; I144-V311 HydrophobicContact CD1-CG2 3.71Å; I144-V311 HydrophobicContact CG1-CG1 4.06Å; I144-V311 HydrophobicContact CG1-CG2 4.18Å; I144-V311 HydrophobicContact CG2-CG1 3.82Å; I144-M314 HydrophobicContact CD1-CE 4.39Å; I144-M314 HydrophobicContact CG2-CE 3.96Å; I144-L315 HydrophobicContact CG2-CD1 4.31Å; I144-L315 HydrophobicContact CG2-CD2 4.22Å; I144-I321 HydrophobicContact CD1-CD1 4.05Å; I144-I323 HydrophobicContact CD1-CD1 4.17Å
145	G	98.1	Very high	97.5	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.8	-34	179.4	0	0	0	0	0	114.1	S115 P141 A142 G149	S115-G145 WeakPolarHBondContact CB-O 3.29Å; P141-G145 PolarHBondContact O-N 3.2Å; A142-G145 PolarHBondContact O-N 3.33Å; G145-G149 PolarHBondContact O-N 3.48Å
146	I	98.5	Very high	97.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-68.3	-57.1	-179.6	-69.4	160	0	0	0	110.9	Y114 V118 L133 L135 M137 A142 Y143 I144 L148 G149 A150 V182 W229	Y114-I146 HydrophobicContact CE1-CG1 4.28Å; V118-I146 WeakPolarHBondContact CG1-O 3.38Å; V118-I146 HydrophobicContact CG2-CG1 4.41Å; L133-I146 HydrophobicContact CD2-CG2 4.15Å; L135-I146 HydrophobicContact CD1-CD1 4.11Å; L135-I146 HydrophobicContact CD1-CG2 4.08Å; L135-I146 HydrophobicContact CD2-CB 4.47Å; L135-I146 HydrophobicContact CD2-CG2 4.38Å; M137-I146 HydrophobicContact CE-CD1 4.12Å; M137-I146 HydrophobicContact SD-CD1 4.23Å; A142-I146 WeakPolarHBondContact O-CB 3.49Å; A142-I146 WeakPolarHBondContact O-CD1 2.88Å; A142-I146 WeakPolarHBondContact O-CG1 3.38Å; A142-I146 PolarHBondContact O-N 3.2Å; Y143-I146 PolarHBondContact O-N 2.94Å; I144-I146 VanDerWaalsContact C-N 3.3Å; I144-I146 PolarHBondContact O-N 3.12Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 2.96Å; I146-G149 PolarHBondContact O-N 2.6Å; I146-G149 VanDerWaalsContact O-N 3.14Å; I146-A150 PolarHBondContact O-N 3.08Å; I146-V182 HydrophobicContact CD1-CG1 4.11Å; I146-V182 HydrophobicContact CG2-CG2 4.37Å; I146-W229 HydrophobicContact CD1-CZ2 4.45Å; I146-W229 HydrophobicContact CG1-CZ2 3.86Å; I146-W229 HydrophobicContact CG2-CZ2 4.04Å
147	W	97.6	Very high	97.5	Very high	5 Å²	5	3.1 Å²	3.1	2%	0.019	2%	0.02	C	C	.	.	H	α-helix	trans	-68.9	-32.4	-178	80.5	-103.2	0	0	0	111.6	F81 L135 Y143 G149 A150 A151 T157 L254 I255 Y276 L315	F81-W147 HydrophobicContact CD1-CH2 4.33Å; F81-W147 HydrophobicContact CD1-CZ3 4.2Å; F81-W147 AromaticContact CE1-CH2 3.57Å; F81-W147 HydrophobicContact CE1-CH2 3.57Å; F81-W147 AromaticContact CE1-CZ3 3.88Å; F81-W147 HydrophobicContact CE1-CZ3 3.88Å; F81-W147 HydrophobicContact CE2-CH2 4.29Å; F81-W147 AromaticContact CZ-CH2 3.54Å; F81-W147 HydrophobicContact CZ-CH2 3.54Å; F81-W147 HydrophobicContact CZ-CZ3 4.09Å; L135-W147 HydrophobicContact CD2-CB 4.45Å; Y143-W147 VanDerWaalsContact O-CD1 3.25Å; Y143-W147 PolarHBondContact O-N 2.9Å; W147-G149 VanDerWaalsContact C-N 3.33Å; W147-G149 PolarHBondContact O-N 3.16Å; W147-A150 PolarHBondContact O-N 3.21Å; W147-A151 WeakPolarHBondContact O-CB 3.35Å; W147-A151 PolarHBondContact O-N 2.83Å; W147-T157 HydrophobicContact CB-CG2 3.85Å; W147-T157 WeakPolarHBondContact CB-OG1 3.35Å; W147-L254 HydrophobicContact CE3-CD1 4.38Å; W147-L254 HydrophobicContact CE3-CG 4.48Å; W147-L254 HydrophobicContact CH2-CD2 4.32Å; W147-L254 HydrophobicContact CZ3-CD1 3.83Å; W147-L254 HydrophobicContact CZ3-CD2 3.87Å; W147-L254 HydrophobicContact CZ3-CG 3.85Å; W147-I255 HydrophobicContact CD2-CG2 4.19Å; W147-I255 HydrophobicContact CE3-CG2 3.81Å; W147-I255 HydrophobicContact CZ3-CG2 4.31Å; W147-Y276 AromaticContact CH2-CE2 3.76Å; W147-Y276 HydrophobicContact CH2-CE2 3.76Å; W147-Y276 AromaticContact CH2-CZ 3.78Å; W147-Y276 HydrophobicContact CZ2-CE2 4.12Å; W147-L315 HydrophobicContact CH2-CD1 3.71Å; W147-L315 HydrophobicContact CZ2-CD1 3.37Å
148	L	98	Very high	97.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61	-43.2	171.3	176.6	61.2	0	0	0	111.2	F81 F85 L111 I144 I146 A151 K152 L315	F81-L148 HydrophobicContact CD1-CD1 3.59Å; F81-L148 HydrophobicContact CE1-CD1 3.81Å; F85-L148 HydrophobicContact CB-CD1 4.18Å; F85-L148 HydrophobicContact CD1-CD1 4.35Å; F85-L148 HydrophobicContact CD1-CD2 3.65Å; F85-L148 HydrophobicContact CD1-CG 4.49Å; F85-L148 HydrophobicContact CD2-CD2 4.47Å; F85-L148 HydrophobicContact CE1-CD2 3.64Å; F85-L148 HydrophobicContact CE2-CD2 4.49Å; F85-L148 HydrophobicContact CG-CD1 4.24Å; F85-L148 HydrophobicContact CG-CD2 4.07Å; F85-L148 HydrophobicContact CZ-CD2 4.09Å; L111-L148 HydrophobicContact CG-CD2 4.42Å; I144-L148 WeakPolarHBondContact O-CB 3.14Å; I144-L148 PolarHBondContact O-N 2.82Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 2.96Å; L148-A151 WeakPolarHBondContact O-CB 3.12Å; L148-A151 PolarHBondContact O-N 2.82Å; L148-K152 WeakPolarHBondContact O-CG 3.46Å; L148-K152 PolarHBondContact O-N 2.94Å; L148-K152 VanDerWaalsContact O-N 3.11Å; L148-L315 HydrophobicContact CD2-CD2 4.01Å
149	G	98.1	Very high	97.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.6	-40.9	175.9	0	0	0	0	0	113.2	S115 A119 G145 I146 W147 A151 K152	S115-G149 WeakPolarHBondContact O-CA 3.41Å; A119-G149 WeakPolarHBondContact CB-O 3.4Å; G145-G149 PolarHBondContact O-N 3.48Å; I146-G149 PolarHBondContact O-N 2.6Å; I146-G149 VanDerWaalsContact O-N 3.14Å; W147-G149 VanDerWaalsContact C-N 3.33Å; W147-G149 PolarHBondContact O-N 3.16Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.19Å; G149-K152 WeakPolarHBondContact O-CB 3.43Å; G149-K152 PolarHBondContact O-N 2.83Å
150	A	98.3	Very high	97.5	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-59.6	-44.8	171.9	0	0	0	0	0	111.5	L122 L133 I146 W147 K152 V153 G154 V155 T157	L122-A150 HydrophobicContact CD1-CB 3.88Å; L133-A150 HydrophobicContact CD2-CB 4.27Å; I146-A150 PolarHBondContact O-N 3.08Å; W147-A150 PolarHBondContact O-N 3.21Å; A150-K152 PolarHBondContact O-N 2.71Å; A150-V153 CarbonylContact O-C 3.52Å; A150-V153 WeakPolarHBondContact O-CG2 3.13Å; A150-V153 PolarHBondContact O-N 3.2Å; A150-G154 PolarHBondContact O-N 3.24Å; A150-V155 CarbonylContact C-O 3.57Å; A150-V155 VanDerWaalsContact C-O 3.28Å; A150-V155 HydrophobicContact CB-CB 4.01Å; A150-V155 HydrophobicContact CB-CG1 4.09Å; A150-V155 PolarHBondContact O-N 3.43Å; A150-T157 WeakPolarHBondContact CB-OG1 3.22Å
151	A	97.3	Very high	96.9	Very high	9 Å²	9	2.8 Å²	2.8	7%	0.074	2%	0.017	C	C	.	.	H	α-helix	trans	-60.6	-31.4	176.4	0	0	0	0	0	113.1	F81 W147 L148 G149 V153 G154 L254	F81-A151 HydrophobicContact CB-CB 4.15Å; W147-A151 WeakPolarHBondContact O-CB 3.35Å; W147-A151 PolarHBondContact O-N 2.83Å; L148-A151 WeakPolarHBondContact O-CB 3.12Å; L148-A151 PolarHBondContact O-N 2.82Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.19Å; A151-V153 PolarHBondContact O-N 2.97Å; A151-G154 PolarHBondContact O-N 2.81Å; A151-L254 HydrophobicContact CB-CD1 3.41Å; A151-L254 VanDerWaalsContact CB-CD1 3.41Å
152	K	96.8	Very high	96.4	Very high	3 Å²	3	3.5 Å²	3.5	1%	0.013	2%	0.022	C	C	.	.	H	α-helix	trans	-66.2	-20.6	176.4	-70.2	178.2	170.5	-178.6	0	113.7	D112 S115 N116 A119 L148 G149 A150 P241 L244	D112-K152 PolarHBondContact O-NZ 3.16Å; D112-K152 IonicContact OD1-NZ 3.64Å; D112-K152 PolarHBondContact OD1-NZ 3.26Å; S115-K152 PolarHBondContact OG-NZ 2.8Å; N116-K152 PolarHBondContact OD1-NZ 3.19Å; A119-K152 HydrophobicContact CB-CB 3.82Å; A119-K152 HydrophobicContact CB-CD 4.36Å; L148-K152 WeakPolarHBondContact O-CG 3.46Å; L148-K152 PolarHBondContact O-N 2.94Å; L148-K152 VanDerWaalsContact O-N 3.11Å; G149-K152 WeakPolarHBondContact O-CB 3.43Å; G149-K152 PolarHBondContact O-N 2.83Å; A150-K152 PolarHBondContact O-N 2.71Å; K152-P241 HydrophobicContact CB-CG 4.01Å; K152-P241 HydrophobicContact CD-CG 4.28Å; K152-L244 WeakPolarHBondContact O-CD1 3.32Å
153	V	96.2	Very high	95.4	Very high	13 Å²	13	7.1 Å²	7.1	8%	0.079	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	9.3	175	-68.9	0	0	0	0	113.4	A119 L122 A123 A150 A151 V155	A119-V153 HydrophobicContact CB-CG1 3.99Å; A119-V153 WeakPolarHBondContact O-CG1 3.48Å; L122-V153 HydrophobicContact CB-CG2 4.18Å; L122-V153 HydrophobicContact CD1-CG2 4.35Å; A123-V153 HydrophobicContact CB-CG1 4.27Å; A150-V153 CarbonylContact O-C 3.52Å; A150-V153 WeakPolarHBondContact O-CG2 3.13Å; A150-V153 PolarHBondContact O-N 3.2Å; A151-V153 PolarHBondContact O-N 2.97Å; V153-V155 VanDerWaalsContact C-N 3.3Å; V153-V155 HydrophobicContact CG2-CB 4.28Å; V153-V155 HydrophobicContact CG2-CG2 3.73Å
154	G	95.7	Very high	94.2	Very high	4 Å²	4	8.2 Å²	8.2	4%	0.041	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	15.9	175.8	0	0	0	0	0	113.4	R129 G130 A150 A151	R129-G154 VanDerWaalsContact CA-O 3.28Å; R129-G154 WeakPolarHBondContact CA-O 3.4Å; G130-G154 PolarHBondContact N-O 3.3Å; A150-G154 PolarHBondContact O-N 3.24Å; A151-G154 PolarHBondContact O-N 2.81Å
155	V	97.7	Very high	93	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.069	C	C	.	.			trans	-88.9	124.5	177.4	175.2	0	0	0	0	108.2	F127 D131 L133 A150 V153	F127-V155 HydrophobicContact CB-CG2 3.8Å; F127-V155 HydrophobicContact CD1-CG1 4.05Å; F127-V155 HydrophobicContact CD1-CG2 4.01Å; F127-V155 HydrophobicContact CG-CG2 4.37Å; D131-V155 HydrophobicContact CB-CG2 4.33Å; D131-V155 WeakPolarHBondContact O-CA 3.29Å; D131-V155 WeakPolarHBondContact O-CG1 3.44Å; L133-V155 HydrophobicContact CB-CG1 3.79Å; A150-V155 CarbonylContact C-O 3.57Å; A150-V155 VanDerWaalsContact C-O 3.28Å; A150-V155 HydrophobicContact CB-CB 4.01Å; A150-V155 HydrophobicContact CB-CG1 4.09Å; A150-V155 PolarHBondContact O-N 3.43Å; V153-V155 VanDerWaalsContact C-N 3.3Å; V153-V155 HydrophobicContact CG2-CB 4.28Å; V153-V155 HydrophobicContact CG2-CG2 3.73Å
156	A	97.9	Very high	91.9	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.025	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142	175.9	0	0	0	0	0	110	D131 I132 L133 H253 L254 Y256	D131-A156 PolarHBondContact O-N 3.01Å; I132-A156 WeakPolarHBondContact CA-O 3.3Å; I132-A156 HydrophobicContact CG1-CB 4.48Å; L133-A156 PolarHBondContact N-O 3.06Å; A156-H253 HydrophobicContact CB-CB 4Å; A156-H253 WeakPolarHBondContact CB-O 3.32Å; A156-L254 WeakPolarHBondContact CA-O 3.44Å; A156-Y256 HydrophobicContact CB-CD2 4.22Å; A156-Y256 HydrophobicContact CB-CE2 3.56Å
157	T	98.6	Very high	90.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.8	179.9	-48	0	0	0	0	112.3	L133 L135 W147 A150 L159 L254 I255 Y256	L133-T157 CarbonylContact O-C 3.57Å; L133-T157 WeakPolarHBondContact O-CA 3.22Å; L133-T157 WeakPolarHBondContact O-CG2 3.18Å; L135-T157 HydrophobicContact CB-CG2 3.69Å; L135-T157 HydrophobicContact CD2-CG2 4.39Å; W147-T157 HydrophobicContact CB-CG2 3.85Å; W147-T157 WeakPolarHBondContact CB-OG1 3.35Å; A150-T157 WeakPolarHBondContact CB-OG1 3.22Å; T157-L159 HydrophobicContact CG2-CD2 3.74Å; T157-L254 PolarHBondContact N-O 2.81Å; T157-I255 CarbonylContact O-C 3.48Å; T157-I255 WeakPolarHBondContact O-CA 3.49Å; T157-I255 WeakPolarHBondContact O-CB 3.34Å; T157-Y256 PolarHBondContact O-N 3.2Å
158	G	98.2	Very high	89.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.8	170.6	0	0	0	0	0	111.8	L133 L135 I160	L133-G158 PolarHBondContact O-N 3.17Å; L135-G158 PolarHBondContact N-O 3.48Å; G158-I160 PolarHBondContact O-N 3.35Å
159	L	97.8	Very high	88.8	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	104	-173.2	-53.2	-171.6	0	0	0	110.7	L135 Y143 T157 I255 Y256 V257 Y258	L135-L159 HydrophobicContact CB-CD2 4.43Å; L135-L159 HydrophobicContact CD2-CD2 4.37Å; Y143-L159 HydrophobicContact CE1-CD2 4.39Å; Y143-L159 WeakPolarHBondContact OH-CB 3.49Å; Y143-L159 WeakPolarHBondContact OH-CD2 3.42Å; T157-L159 HydrophobicContact CG2-CD2 3.74Å; L159-I255 HydrophobicContact CD1-CB 4.26Å; L159-I255 HydrophobicContact CD1-CD1 3.97Å; L159-I255 HydrophobicContact CD1-CG2 4.37Å; L159-I255 HydrophobicContact CD2-CG2 4.37Å; L159-I255 HydrophobicContact CG-CB 4.3Å; L159-I255 HydrophobicContact CG-CG2 4.44Å; L159-Y256 PolarHBondContact N-O 3.05Å; L159-V257 HydrophobicContact CD1-CG2 4.21Å; L159-Y258 VanDerWaalsContact O-CD2 3.32Å; L159-Y258 WeakPolarHBondContact O-CD2 3.46Å
160	I	92.9	Very high	88.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.			trans	-88.5	133.8	-173.9	-58.5	179.5	0	0	0	110.8	L134 L135 F136 G158 T162 L164 L169 I173 I181 Y258	L134-I160 HydrophobicContact CB-CD1 3.98Å; L134-I160 HydrophobicContact CD1-CD1 4.13Å; L134-I160 HydrophobicContact CD2-CD1 4.14Å; L134-I160 HydrophobicContact CD2-CG1 4.42Å; L134-I160 HydrophobicContact CG-CD1 4.28Å; L135-I160 PolarHBondContact O-N 3.21Å; F136-I160 HydrophobicContact CB-CB 4.13Å; F136-I160 HydrophobicContact CB-CD1 4.27Å; F136-I160 HydrophobicContact CB-CG2 4.45Å; F136-I160 HydrophobicContact CD2-CB 3.82Å; F136-I160 HydrophobicContact CD2-CG2 3.41Å; F136-I160 VanDerWaalsContact CD2-CG2 3.41Å; F136-I160 HydrophobicContact CE2-CG2 3.91Å; F136-I160 HydrophobicContact CG-CB 4.38Å; F136-I160 HydrophobicContact CG-CG2 4.2Å; G158-I160 PolarHBondContact O-N 3.35Å; I160-T162 PolarHBondContact O-N 3.32Å; I160-L164 HydrophobicContact CG2-CD1 4.35Å; I160-L169 HydrophobicContact CG2-CD1 3.63Å; I160-I173 HydrophobicContact CD1-CG1 3.95Å; I160-I181 HydrophobicContact CD1-CD1 4.07Å; I160-Y258 HydrophobicContact CG1-CE2 4.23Å
161	N	84.6	Confident	87.5	Confident	15 Å²	15	26.8 Å²	26.8	8%	0.08	16%	0.158	C	C	.	.			trans	-67.1	122.8	174.5	177.4	-16.5	0	0	0	111.2	F136 N163 L164 Y302 S613	F136-N161 WeakPolarHBondContact CE2-O 3.41Å; N161-N163 PolarHBondContact O-N 3.29Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 WeakPolarHBondContact OD1-CB 3.32Å; N161-N163 PolarHBondContact OD1-N 2.83Å; N161-L164 HydrophobicContact CB-CD1 3.91Å; N161-L164 HydrophobicContact CB-CG 3.88Å; N161-L164 WeakPolarHBondContact O-CB 3.22Å; N161-L164 WeakPolarHBondContact O-CG 3.44Å; N161-L164 PolarHBondContact O-N 3.04Å; N161-L164 VanDerWaalsContact O-N 3.17Å; N161-Y302 HydrophobicContact CB-CD2 3.94Å; N161-Y302 HydrophobicContact CB-CE2 3.66Å; N161-Y302 VanDerWaalsContact CG-CE2 3.44Å; N161-Y302 PolarHBondContact OD1-OH 3.49Å; N161-Y302 VanDerWaalsContact OD1-OH 3.12Å; N161-S613 PolarHBondContact ND2-OG 3.4Å
162	T	87.9	Confident	87	Confident	17 Å²	17	26.3 Å²	26.3	10%	0.104	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15	-176.4	59.2	0	0	0	0	114.9	M137 I160 L187 Y302	M137-T162 VanDerWaalsContact O-CG2 3.3Å; M137-T162 WeakPolarHBondContact O-CG2 3.45Å; I160-T162 PolarHBondContact O-N 3.32Å; T162-L187 HydrophobicContact CG2-CD1 3.62Å; T162-Y302 HydrophobicContact CG2-CD1 4.05Å; T162-Y302 HydrophobicContact CG2-CE1 3.68Å; T162-Y302 VanDerWaalsContact OG1-CE1 3.31Å; T162-Y302 WeakPolarHBondContact OG1-CE1 3.46Å; T162-Y302 PolarHBondContact OG1-OH 3.16Å
163	N	76.3	Confident	86.7	Confident	76 Å²	76	26.3 Å²	26.3	41%	0.406	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.1	177.7	-65.9	-16.1	0	0	0	113.5	N161 S613	N161-N163 PolarHBondContact O-N 3.29Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 WeakPolarHBondContact OD1-CB 3.32Å; N161-N163 PolarHBondContact OD1-N 2.83Å; N163-S613 WeakPolarHBondContact ND2-CA 3.42Å; N163-S613 WeakPolarHBondContact ND2-CB 3.45Å
164	L	74	Confident	86.4	Confident	24 Å²	24	30.6 Å²	30.6	13%	0.126	17%	0.172	C	C	.	.			trans	-77.9	143.9	178.8	-61.4	177.8	0	0	0	111.2	I160 N161 L169 C172 P266	I160-L164 HydrophobicContact CG2-CD1 4.35Å; N161-L164 HydrophobicContact CB-CD1 3.91Å; N161-L164 HydrophobicContact CB-CG 3.88Å; N161-L164 WeakPolarHBondContact O-CB 3.22Å; N161-L164 WeakPolarHBondContact O-CG 3.44Å; N161-L164 PolarHBondContact O-N 3.04Å; N161-L164 VanDerWaalsContact O-N 3.17Å; L164-L169 HydrophobicContact CB-CB 4.13Å; L164-L169 HydrophobicContact CB-CD1 4.45Å; L164-C172 HydrophobicContact CD1-CB 4.41Å; L164-C172 VanDerWaalsContact CD1-SG 3.5Å; L164-P266 HydrophobicContact CD2-CG 4.5Å
165	C	72.5	Confident	86.1	Confident	68 Å²	68	32.7 Å²	32.7	46%	0.459	18%	0.184	S	C	.	.			trans	-142.5	165	175.5	64.6	0	0	0	0	110.8	G167 S168 L169 T190	C165-G167 PolarHBondContact O-N 3.27Å; C165-S168 PolarHBondContact O-N 3.07Å; C165-L169 PolarHBondContact O-N 3.49Å; C165-T190 HydrophobicContact CB-CG2 4.41Å
166	K	75.5	Confident	85.9	Confident	154 Å²	154	33 Å²	33	67%	0.67	19%	0.186	S	C	*	.	H	α-helix	trans	49.9	-132.3	171.4	-56.4	-179	179.3	-178.9	0	112	S168 L169 I170	K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 2.89Å; K166-L169 PolarHBondContact O-N 3.23Å; K166-L169 VanDerWaalsContact O-N 3.1Å; K166-I170 WeakPolarHBondContact O-CG1 3.47Å; K166-I170 PolarHBondContact O-N 2.9Å
167	G	72.4	Confident	85.5	Confident	46 Å²	46	39.3 Å²	39.3	47%	0.474	22%	0.219	S	C	.	.	H	α-helix	trans	-56.4	-36.5	-175.4	0	0	0	0	0	114.9	C165 I170 N171	C165-G167 PolarHBondContact O-N 3.27Å; G167-I170 PolarHBondContact O-N 3.37Å; G167-N171 WeakPolarHBondContact O-CB 3.24Å; G167-N171 PolarHBondContact O-N 3.31Å
168	S	74.4	Confident	85.4	Confident	49 Å²	49	39.5 Å²	39.5	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-68.5	-37.5	178.5	-68.1	0	0	0	0	112.2	C165 K166 C172	C165-S168 PolarHBondContact O-N 3.07Å; K166-S168 VanDerWaalsContact C-N 3.31Å; K166-S168 PolarHBondContact O-N 2.89Å; S168-C172 PolarHBondContact O-N 3.46Å; S168-C172 PolarHBondContact O-SG 2.93Å
169	L	82.9	Confident	85.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-45.6	175.4	178.4	57.8	0	0	0	111.1	F136 I160 L164 C165 K166 N171 C172 I173 T190 V194	F136-L169 HydrophobicContact CD2-CD1 4.37Å; F136-L169 HydrophobicContact CE1-CD1 4.49Å; F136-L169 HydrophobicContact CE1-CD2 3.97Å; F136-L169 HydrophobicContact CE2-CD1 4.09Å; F136-L169 HydrophobicContact CZ-CD1 4.18Å; F136-L169 HydrophobicContact CZ-CD2 3.92Å; I160-L169 HydrophobicContact CG2-CD1 3.63Å; L164-L169 HydrophobicContact CB-CB 4.13Å; L164-L169 HydrophobicContact CB-CD1 4.45Å; C165-L169 PolarHBondContact O-N 3.49Å; K166-L169 PolarHBondContact O-N 3.23Å; K166-L169 VanDerWaalsContact O-N 3.1Å; L169-N171 VanDerWaalsContact C-N 3.3Å; L169-N171 PolarHBondContact O-N 3.5Å; L169-C172 PolarHBondContact O-N 3.23Å; L169-C172 VanDerWaalsContact O-N 3.16Å; L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.32Å; L169-I173 HydrophobicContact CG-CD1 3.98Å; L169-I173 WeakPolarHBondContact O-CG1 3.27Å; L169-I173 PolarHBondContact O-N 3.36Å; L169-T190 HydrophobicContact CD2-CG2 4.3Å; L169-V194 HydrophobicContact CD2-CG1 4.32Å; L169-V194 HydrophobicContact CD2-CG2 3.72Å; L169-V194 HydrophobicContact CG-CG2 4.15Å
170	I	85.5	Confident	85.2	Confident	30 Å²	30	42 Å²	42	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-54.8	-48.2	175.6	-66.5	160.2	0	0	0	110.4	K166 G167 C172 I173 K174 V194 N198 L200	K166-I170 WeakPolarHBondContact O-CG1 3.47Å; K166-I170 PolarHBondContact O-N 2.9Å; G167-I170 PolarHBondContact O-N 3.37Å; I170-C172 VanDerWaalsContact C-N 3.34Å; I170-C172 PolarHBondContact O-N 3.36Å; I170-I173 PolarHBondContact O-N 2.86Å; I170-K174 HydrophobicContact CG2-CD 3.96Å; I170-K174 HydrophobicContact CG2-CG 4.39Å; I170-K174 WeakPolarHBondContact O-CG 3.37Å; I170-K174 PolarHBondContact O-N 3.06Å; I170-V194 HydrophobicContact CD1-CB 4.18Å; I170-V194 HydrophobicContact CD1-CG1 3.96Å; I170-V194 HydrophobicContact CG1-CB 3.67Å; I170-V194 HydrophobicContact CG1-CG1 3.7Å; I170-N198 WeakPolarHBondContact CD1-ND2 3.13Å; I170-L200 HydrophobicContact CG2-CD2 4.23Å
171	N	82.7	Confident	85.4	Confident	47 Å²	47	42 Å²	42	25%	0.251	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-43.7	179.5	-175.6	74.7	0	0	0	111.9	G167 L169 I173 K174 T175 L265	G167-N171 WeakPolarHBondContact O-CB 3.24Å; G167-N171 PolarHBondContact O-N 3.31Å; L169-N171 VanDerWaalsContact C-N 3.3Å; L169-N171 PolarHBondContact O-N 3.5Å; N171-I173 PolarHBondContact O-N 3.01Å; N171-K174 PolarHBondContact O-N 3.01Å; N171-T175 WeakPolarHBondContact O-CB 3.45Å; N171-T175 PolarHBondContact O-N 3.44Å; N171-T175 PolarHBondContact O-OG1 2.94Å; N171-L265 HydrophobicContact CB-CD1 4.2Å; N171-L265 HydrophobicContact CB-CD2 4.37Å
172	C	86	Confident	86.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-48.9	177.5	-68.1	0	0	0	0	110.9	L164 S168 L169 I170 K174 T175 Y258	L164-C172 HydrophobicContact CD1-CB 4.41Å; L164-C172 VanDerWaalsContact CD1-SG 3.5Å; S168-C172 PolarHBondContact O-N 3.46Å; S168-C172 PolarHBondContact O-SG 2.93Å; L169-C172 PolarHBondContact O-N 3.23Å; L169-C172 VanDerWaalsContact O-N 3.16Å; I170-C172 VanDerWaalsContact C-N 3.34Å; I170-C172 PolarHBondContact O-N 3.36Å; C172-K174 PolarHBondContact O-N 3.18Å; C172-T175 PolarHBondContact O-N 3.36Å; C172-Y258 HydrophobicContact CB-CD1 4.17Å; C172-Y258 HydrophobicContact CB-CE1 3.65Å; C172-Y258 HydrophobicContact CB-CE2 4.39Å; C172-Y258 PolarHBondContact O-OH 3.2Å
173	I	91.5	Very high	86.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-47.7	179.1	-66.4	166.1	0	0	0	111.1	L134 I160 L169 I170 N171 T175 I181 F191 V194 L200 L202	L134-I173 HydrophobicContact CD1-CB 4.12Å; L134-I173 HydrophobicContact CD1-CG1 4.15Å; L134-I173 HydrophobicContact CD1-CG2 3.8Å; I160-I173 HydrophobicContact CD1-CG1 3.95Å; L169-I173 HydrophobicContact CD1-CD1 4.05Å; L169-I173 HydrophobicContact CD1-CG1 4.32Å; L169-I173 HydrophobicContact CG-CD1 3.98Å; L169-I173 WeakPolarHBondContact O-CG1 3.27Å; L169-I173 PolarHBondContact O-N 3.36Å; I170-I173 PolarHBondContact O-N 2.86Å; N171-I173 PolarHBondContact O-N 3.01Å; I173-T175 VanDerWaalsContact C-N 3.34Å; I173-T175 PolarHBondContact O-N 3.49Å; I173-I181 HydrophobicContact CD1-CD1 4.45Å; I173-I181 HydrophobicContact CG1-CD1 4.43Å; I173-F191 HydrophobicContact CD1-CD2 4.25Å; I173-F191 HydrophobicContact CD1-CE2 3.98Å; I173-V194 HydrophobicContact CD1-CG2 4.5Å; I173-L200 HydrophobicContact CB-CD2 4.47Å; I173-L200 HydrophobicContact CD1-CD1 4.19Å; I173-L200 HydrophobicContact CG2-CB 4.15Å; I173-L200 HydrophobicContact CG2-CD1 4.33Å; I173-L200 HydrophobicContact CG2-CD2 4.07Å; I173-L200 HydrophobicContact CG2-CG 4.42Å; I173-L202 HydrophobicContact CG2-CD1 4.14Å; I173-L202 HydrophobicContact CG2-CD2 4.45Å; I173-L202 HydrophobicContact CG2-CG 4.43Å
174	K	90.5	Very high	87.6	Confident	103 Å²	103	36.9 Å²	36.9	45%	0.448	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-30.3	-179.1	-70.5	-173.9	173.3	-169.1	0	113.7	I170 N171 C172 L176 N177 D199 L200	I170-K174 HydrophobicContact CG2-CD 3.96Å; I170-K174 HydrophobicContact CG2-CG 4.39Å; I170-K174 WeakPolarHBondContact O-CG 3.37Å; I170-K174 PolarHBondContact O-N 3.06Å; N171-K174 PolarHBondContact O-N 3.01Å; C172-K174 PolarHBondContact O-N 3.18Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 2.92Å; K174-N177 PolarHBondContact O-N 3.16Å; K174-D199 WeakPolarHBondContact CE-O 3.13Å; K174-D199 PolarHBondContact NZ-O 3.41Å; K174-L200 HydrophobicContact CG-CD2 4.48Å
175	T	89.4	Confident	88.7	Confident	48 Å²	48	37.9 Å²	37.9	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-59.8	-36	-174.2	-63.8	0	0	0	0	113.3	N171 C172 I173 A268	N171-T175 WeakPolarHBondContact O-CB 3.45Å; N171-T175 PolarHBondContact O-N 3.44Å; N171-T175 PolarHBondContact O-OG1 2.94Å; C172-T175 PolarHBondContact O-N 3.36Å; I173-T175 VanDerWaalsContact C-N 3.34Å; I173-T175 PolarHBondContact O-N 3.49Å; T175-A268 HydrophobicContact CG2-CB 4.24Å
176	L	92.1	Very high	89.8	Confident	6 Å²	6	38 Å²	38	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3	-173	-71.8	178.6	0	0	0	114.2	I132 L134 K174 A178 Y256 Y258 A268 V478	I132-L176 HydrophobicContact CD1-CB 4.43Å; I132-L176 VanDerWaalsContact CD1-O 3.26Å; I132-L176 WeakPolarHBondContact CD1-O 3.31Å; I132-L176 HydrophobicContact CG2-CB 4.2Å; I132-L176 HydrophobicContact CG2-CD1 4.34Å; L134-L176 HydrophobicContact CD2-CB 4.27Å; L134-L176 HydrophobicContact CD2-CD1 3.74Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 2.92Å; L176-A178 PolarHBondContact O-N 3.41Å; L176-Y256 HydrophobicContact CD1-CD2 3.97Å; L176-Y256 HydrophobicContact CD1-CG 3.97Å; L176-Y256 HydrophobicContact CD2-CD1 3.75Å; L176-Y256 HydrophobicContact CD2-CD2 3.95Å; L176-Y256 HydrophobicContact CD2-CE1 4.03Å; L176-Y256 HydrophobicContact CD2-CE2 4.25Å; L176-Y256 HydrophobicContact CD2-CG 3.67Å; L176-Y258 HydrophobicContact CD1-CE2 4.12Å; L176-Y258 WeakPolarHBondContact CD1-OH 3.48Å; L176-Y258 WeakPolarHBondContact CG-OH 3.39Å; L176-A268 HydrophobicContact CD2-CB 3.84Å; L176-A268 HydrophobicContact CG-CB 4.34Å; L176-V478 HydrophobicContact CD2-CG2 3.79Å
177	N	90.1	Very high	90.7	Very high	136 Å²	136	31.3 Å²	31.3	73%	0.727	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.9	49.7	-174.2	-167.8	42	0	0	0	112.2	K174	K174-N177 PolarHBondContact O-N 3.16Å
178	A	96	Very high	91.8	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	18%	0.179	C	C	.	.			trans	-77.8	149.8	-171.8	0	0	0	0	0	111.6	I132 L134 L176	I132-A178 HydrophobicContact CB-CB 4.12Å; I132-A178 HydrophobicContact CG2-CB 3.88Å; I132-A178 WeakPolarHBondContact O-CB 3.26Å; L134-A178 HydrophobicContact CD1-CB 3.73Å; L134-A178 HydrophobicContact CD2-CB 4Å; L134-A178 HydrophobicContact CG-CB 3.42Å; L134-A178 VanDerWaalsContact CG-CB 3.42Å; L176-A178 PolarHBondContact O-N 3.41Å
179	R	95.5	Very high	92.7	Very high	58 Å²	58	38.9 Å²	38.9	22%	0.219	20%	0.198	C	C	.	.	S	Bend	trans	-78.8	-31.7	-177.7	-169.8	172	177.6	-155.2	-13.4	112.7	C125 G126 F127 D131 I132 E203 T204	C125-R179 PolarHBondContact O-NH2 3.04Å; G126-R179 PolarHBondContact O-NH1 3.05Å; F127-R179 HydrophobicContact CE1-CB 3.83Å; F127-R179 HydrophobicContact CE1-CG 4.21Å; F127-R179 HydrophobicContact CZ-CB 4.05Å; F127-R179 HydrophobicContact CZ-CG 4.06Å; D131-R179 IonicContact OD2-NH1 3.62Å; D131-R179 PolarHBondContact OD2-NH1 3.38Å; I132-R179 PolarHBondContact O-N 3.09Å; R179-E203 HydrophobicContact CG-CB 4.23Å; R179-E203 VanDerWaalsContact CG-CD 3.47Å; R179-E203 HydrophobicContact CG-CG 4.06Å; R179-E203 IonicContact CZ-OE2 3.68Å; R179-E203 VanDerWaalsContact NE-CD 3.31Å; R179-E203 IonicContact NE-OE1 3.32Å; R179-E203 PolarHBondContact NE-OE1 3.48Å; R179-E203 IonicContact NE-OE2 2.65Å; R179-E203 PolarHBondContact NE-OE2 2.93Å; R179-E203 IonicContact NH2-OE2 3.43Å; R179-E203 PolarHBondContact NH2-OE2 3.46Å; R179-E203 WeakPolarHBondContact O-CB 3.47Å; R179-E203 PolarHBondContact O-N 2.84Å; R179-T204 PolarHBondContact O-N 3.03Å
180	G	96.7	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	171.7	176.9	0	0	0	0	0	113.2	L134 T204	L134-G180 PolarHBondContact N-O 3.45Å; G180-T204 CarbonylContact C-O 3.52Å; G180-T204 WeakPolarHBondContact CA-O 3.44Å
181	I	97.7	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.2	-179.8	-171.9	165.8	0	0	0	111.7	L134 F136 I160 I173 V183 F191 L202 T204 I205 W206	L134-I181 HydrophobicContact CB-CB 3.87Å; L134-I181 HydrophobicContact CB-CD1 3.87Å; L134-I181 HydrophobicContact CB-CG1 3.59Å; L134-I181 HydrophobicContact CD1-CD1 4.26Å; L134-I181 CarbonylContact O-C 3.55Å; L134-I181 WeakPolarHBondContact O-CA 3.32Å; F136-I181 HydrophobicContact CB-CD1 4.14Å; I160-I181 HydrophobicContact CD1-CD1 4.07Å; I173-I181 HydrophobicContact CD1-CD1 4.45Å; I173-I181 HydrophobicContact CG1-CD1 4.43Å; I181-V183 HydrophobicContact CD1-CG2 4Å; I181-V183 HydrophobicContact CG1-CG2 3.84Å; I181-V183 HydrophobicContact CG2-CG2 4.16Å; I181-F191 HydrophobicContact CD1-CD2 4.22Å; I181-F191 HydrophobicContact CD1-CE2 3.86Å; I181-F191 HydrophobicContact CG2-CE2 4.14Å; I181-F191 HydrophobicContact CG2-CZ 3.97Å; I181-L202 HydrophobicContact CB-CD1 4.26Å; I181-L202 HydrophobicContact CB-CD2 4.43Å; I181-L202 HydrophobicContact CG2-CD1 3.62Å; I181-T204 PolarHBondContact N-O 3.02Å; I181-I205 HydrophobicContact CG2-CB 4.23Å; I181-I205 HydrophobicContact CG2-CG1 3.94Å; I181-I205 HydrophobicContact CG2-CG2 4.02Å; I181-W206 PolarHBondContact O-N 2.86Å
182	V	98.5	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.1	166.7	-172.1	0	0	0	0	108.8	L133 L134 L135 F136 I146 W206 A208 W229	L133-V182 HydrophobicContact CD1-CG2 4.2Å; L133-V182 HydrophobicContact CD2-CG2 4.2Å; L133-V182 HydrophobicContact CG-CG2 4.46Å; L134-V182 PolarHBondContact O-N 2.84Å; L135-V182 HydrophobicContact CD1-CB 3.99Å; L135-V182 HydrophobicContact CD1-CG1 4.33Å; F136-V182 PolarHBondContact N-O 3.2Å; I146-V182 HydrophobicContact CD1-CG1 4.11Å; I146-V182 HydrophobicContact CG2-CG2 4.37Å; V182-W206 HydrophobicContact CG2-CE3 4.05Å; V182-A208 HydrophobicContact CG1-CB 3.76Å; V182-W229 HydrophobicContact CG1-CD2 3.91Å; V182-W229 HydrophobicContact CG1-CE3 4.24Å; V182-W229 HydrophobicContact CG1-CG 4.1Å; V182-W229 HydrophobicContact CG2-CD2 4.09Å; V182-W229 HydrophobicContact CG2-CE3 3.7Å; V182-W229 HydrophobicContact CG2-CH2 3.65Å; V182-W229 HydrophobicContact CG2-CZ2 4.06Å; V182-W229 HydrophobicContact CG2-CZ3 3.46Å; V182-W229 VanDerWaalsContact CG2-CZ3 3.46Å
183	V	98.2	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.7	-178.2	-178.4	0	0	0	0	109.5	F136 I181 L187 F191 W206 I207 A208	F136-V183 HydrophobicContact CD1-CG1 4.03Å; F136-V183 CarbonylContact O-C 3.58Å; F136-V183 WeakPolarHBondContact O-CA 3.37Å; I181-V183 HydrophobicContact CD1-CG2 4Å; I181-V183 HydrophobicContact CG1-CG2 3.84Å; I181-V183 HydrophobicContact CG2-CG2 4.16Å; V183-L187 HydrophobicContact CG1-CB 4.33Å; V183-F191 HydrophobicContact CG1-CB 3.87Å; V183-F191 HydrophobicContact CG1-CG 4.26Å; V183-F191 HydrophobicContact CG2-CB 4.28Å; V183-F191 HydrophobicContact CG2-CD1 4.03Å; V183-F191 HydrophobicContact CG2-CD2 3.9Å; V183-F191 HydrophobicContact CG2-CE1 4.37Å; V183-F191 HydrophobicContact CG2-CE2 4.24Å; V183-F191 HydrophobicContact CG2-CG 3.78Å; V183-F191 HydrophobicContact CG2-CZ 4.47Å; V183-W206 PolarHBondContact N-O 3.34Å; V183-I207 HydrophobicContact CB-CD1 3.99Å; V183-I207 HydrophobicContact CG1-CD1 4.38Å; V183-I207 CarbonylContact O-C 3.55Å; V183-I207 WeakPolarHBondContact O-CA 3.21Å; V183-A208 PolarHBondContact O-N 3.17Å
184	G	97.9	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	138.4	171.5	0	0	0	0	0	111.7	F136 S186 L187 K188 A208 E210	F136-G184 PolarHBondContact O-N 3Å; G184-S186 PolarHBondContact O-N 3.36Å; G184-S186 VanDerWaalsContact O-N 3.14Å; G184-L187 CarbonylContact O-C 3.54Å; G184-L187 WeakPolarHBondContact O-CA 3.48Å; G184-L187 PolarHBondContact O-N 3.39Å; G184-K188 PolarHBondContact O-N 3.12Å; G184-K188 VanDerWaalsContact O-N 3.08Å; G184-A208 CarbonylContact C-O 3.53Å; G184-E210 VanDerWaalsContact CA-CD 3.46Å; G184-E210 WeakPolarHBondContact CA-OE1 3.36Å
185	S	97.2	Very high	92.7	Very high	44 Å²	44	42.5 Å²	42.5	31%	0.308	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-54.7	-34.5	179	71.5	0	0	0	0	112	L187 K188 A208 E210	S185-L187 PolarHBondContact O-N 3.27Å; S185-K188 WeakPolarHBondContact O-CB 3.46Å; S185-K188 PolarHBondContact O-N 2.86Å; S185-A208 WeakPolarHBondContact CB-O 3.3Å; S185-A208 PolarHBondContact N-O 2.72Å; S185-E210 WeakPolarHBondContact CB-OE2 3.19Å; S185-E210 PolarHBondContact N-OE1 3.37Å; S185-E210 PolarHBondContact N-OE2 3.02Å; S185-E210 PolarHBondContact OG-OE2 3.48Å
186	S	95.2	Very high	92.1	Very high	70 Å²	70	46.8 Å²	46.8	49%	0.49	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-68	-18.1	175.9	66.4	0	0	0	0	114.5	N138 G184 E210	N138-S186 PolarHBondContact ND2-OG 2.87Å; G184-S186 PolarHBondContact O-N 3.36Å; G184-S186 VanDerWaalsContact O-N 3.14Å; S186-E210 WeakPolarHBondContact CB-OE1 3.44Å; S186-E210 PolarHBondContact N-OE1 3.24Å; S186-E210 PolarHBondContact N-OE2 3.5Å; S186-E210 PolarHBondContact OG-OE1 3.15Å
187	L	94.8	Very high	90.6	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-111.2	0	179.7	-60.7	175.4	0	0	0	113.1	F136 T162 V183 G184 S185 K189 T190 F191	F136-L187 HydrophobicContact CD1-CB 4.11Å; F136-L187 HydrophobicContact CD1-CD1 4.29Å; F136-L187 HydrophobicContact CD2-CD1 4.15Å; F136-L187 HydrophobicContact CE1-CB 3.77Å; F136-L187 HydrophobicContact CE1-CD1 4.19Å; F136-L187 HydrophobicContact CE1-CG 4.48Å; F136-L187 HydrophobicContact CE2-CD1 4.1Å; F136-L187 HydrophobicContact CG-CD1 4.27Å; F136-L187 HydrophobicContact CZ-CB 4.29Å; F136-L187 HydrophobicContact CZ-CD1 4.1Å; T162-L187 HydrophobicContact CG2-CD1 3.62Å; V183-L187 HydrophobicContact CG1-CB 4.33Å; G184-L187 CarbonylContact O-C 3.54Å; G184-L187 WeakPolarHBondContact O-CA 3.48Å; G184-L187 PolarHBondContact O-N 3.39Å; S185-L187 PolarHBondContact O-N 3.27Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.39Å; L187-T190 WeakPolarHBondContact O-CB 3.41Å; L187-T190 PolarHBondContact O-N 3.5Å; L187-T190 VanDerWaalsContact O-N 3.11Å; L187-F191 PolarHBondContact O-N 2.8Å
188	K	95	Very high	89.5	Confident	87 Å²	87	51.2 Å²	51.2	38%	0.378	25%	0.252	S	S	.	.	H	α-helix	trans	-49.7	-51.9	-179.6	176.6	-179.7	169.5	-178.8	0	112	G184 S185 T190 F191 E192 I207	G184-K188 PolarHBondContact O-N 3.12Å; G184-K188 VanDerWaalsContact O-N 3.08Å; S185-K188 WeakPolarHBondContact O-CB 3.46Å; S185-K188 PolarHBondContact O-N 2.86Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.86Å; K188-F191 WeakPolarHBondContact O-CB 3.37Å; K188-F191 PolarHBondContact O-N 2.98Å; K188-F191 VanDerWaalsContact O-N 3.1Å; K188-E192 WeakPolarHBondContact CE-OE1 3.43Å; K188-E192 HydrophobicContact CG-CG 4.35Å; K188-E192 IonicContact NZ-OE1 2.96Å; K188-E192 WeakPolarHBondContact O-CG 3.41Å; K188-E192 PolarHBondContact O-N 2.8Å; K188-I207 HydrophobicContact CB-CD1 4.37Å; K188-I207 HydrophobicContact CD-CD1 4.33Å; K188-I207 HydrophobicContact CD-CG1 4.27Å; K188-I207 HydrophobicContact CD-CG2 4.3Å; K188-I207 HydrophobicContact CG-CD1 3.99Å; K188-I207 HydrophobicContact CG-CG1 4.48Å
189	K	92.4	Very high	88.6	Confident	167 Å²	167	56.9 Å²	56.9	73%	0.726	28%	0.282	S	S	*	.	H	α-helix	trans	-58.7	-43.8	-179.7	-174.2	174.5	-178.1	175.4	0	112.1	L187 F191 E192 T193	L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.39Å; K189-F191 VanDerWaalsContact C-N 3.3Å; K189-F191 PolarHBondContact O-N 2.91Å; K189-E192 PolarHBondContact O-N 3.1Å; K189-T193 WeakPolarHBondContact O-CG2 3.33Å; K189-T193 PolarHBondContact O-N 3.32Å
190	T	88.2	Confident	88	Confident	48 Å²	48	54.7 Å²	54.7	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-39.3	177.6	-57	0	0	0	0	111.5	F136 C165 L169 L187 K188 T193	F136-T190 HydrophobicContact CE1-CG2 4.47Å; F136-T190 HydrophobicContact CZ-CG2 4.26Å; C165-T190 HydrophobicContact CB-CG2 4.41Å; L169-T190 HydrophobicContact CD2-CG2 4.3Å; L187-T190 WeakPolarHBondContact O-CB 3.41Å; L187-T190 PolarHBondContact O-N 3.5Å; L187-T190 VanDerWaalsContact O-N 3.11Å; K188-T190 VanDerWaalsContact C-N 3.34Å; K188-T190 PolarHBondContact O-N 2.86Å; T190-T193 PolarHBondContact O-OG1 3.29Å
191	F	92.3	Very high	87.3	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-41.5	176.3	176	-97.3	0	0	0	112.8	F136 I173 I181 V183 L187 K188 K189 T193 V194 N195 L200 L202 I205	F136-F191 HydrophobicContact CD1-CB 4.34Å; F136-F191 HydrophobicContact CE1-CB 4.3Å; I173-F191 HydrophobicContact CD1-CD2 4.25Å; I173-F191 HydrophobicContact CD1-CE2 3.98Å; I181-F191 HydrophobicContact CD1-CD2 4.22Å; I181-F191 HydrophobicContact CD1-CE2 3.86Å; I181-F191 HydrophobicContact CG2-CE2 4.14Å; I181-F191 HydrophobicContact CG2-CZ 3.97Å; V183-F191 HydrophobicContact CG1-CB 3.87Å; V183-F191 HydrophobicContact CG1-CG 4.26Å; V183-F191 HydrophobicContact CG2-CB 4.28Å; V183-F191 HydrophobicContact CG2-CD1 4.03Å; V183-F191 HydrophobicContact CG2-CD2 3.9Å; V183-F191 HydrophobicContact CG2-CE1 4.37Å; V183-F191 HydrophobicContact CG2-CE2 4.24Å; V183-F191 HydrophobicContact CG2-CG 3.78Å; V183-F191 HydrophobicContact CG2-CZ 4.47Å; L187-F191 PolarHBondContact O-N 2.8Å; K188-F191 WeakPolarHBondContact O-CB 3.37Å; K188-F191 PolarHBondContact O-N 2.98Å; K188-F191 VanDerWaalsContact O-N 3.1Å; K189-F191 VanDerWaalsContact C-N 3.3Å; K189-F191 PolarHBondContact O-N 2.91Å; F191-T193 VanDerWaalsContact C-N 3.27Å; F191-T193 PolarHBondContact O-N 3.41Å; F191-V194 HydrophobicContact CD2-CG2 4.33Å; F191-V194 WeakPolarHBondContact O-CG2 3.4Å; F191-V194 PolarHBondContact O-N 3.38Å; F191-N195 HydrophobicContact CD1-CB 4.35Å; F191-N195 HydrophobicContact CE1-CB 3.86Å; F191-N195 HydrophobicContact CZ-CB 4.09Å; F191-N195 PolarHBondContact O-N 3.32Å; F191-L200 HydrophobicContact CE2-CD1 4.21Å; F191-L200 HydrophobicContact CZ-CD1 4.33Å; F191-L202 HydrophobicContact CE2-CD1 4.46Å; F191-L202 HydrophobicContact CZ-CD1 4.24Å; F191-I205 HydrophobicContact CE1-CD1 4.05Å; F191-I205 HydrophobicContact CE1-CG2 3.62Å; F191-I205 HydrophobicContact CZ-CD1 3.95Å; F191-I205 HydrophobicContact CZ-CG1 4.28Å; F191-I205 HydrophobicContact CZ-CG2 4.02Å
192	E	90.9	Very high	87	Confident	73 Å²	73	59.6 Å²	59.6	34%	0.341	31%	0.306	S	S	.	.	H	α-helix	trans	-58.2	-40	178.4	-74.4	170.1	154.2	0	0	111.6	K188 K189 V194 N195 E196	K188-E192 WeakPolarHBondContact CE-OE1 3.43Å; K188-E192 HydrophobicContact CG-CG 4.35Å; K188-E192 IonicContact NZ-OE1 2.96Å; K188-E192 WeakPolarHBondContact O-CG 3.41Å; K188-E192 PolarHBondContact O-N 2.8Å; K189-E192 PolarHBondContact O-N 3.1Å; E192-V194 PolarHBondContact O-N 2.91Å; E192-N195 PolarHBondContact O-N 3.46Å; E192-N195 VanDerWaalsContact O-N 3.14Å; E192-E196 WeakPolarHBondContact O-CG 3.33Å; E192-E196 PolarHBondContact O-N 3.35Å
193	T	85	Confident	86.6	Confident	71 Å²	71	65.7 Å²	65.7	44%	0.436	34%	0.335	S	S	.	.	H	α-helix	trans	-60.5	-20	176.7	66.5	0	0	0	0	115	K189 T190 F191 Y197	K189-T193 WeakPolarHBondContact O-CG2 3.33Å; K189-T193 PolarHBondContact O-N 3.32Å; T190-T193 PolarHBondContact O-OG1 3.29Å; F191-T193 VanDerWaalsContact C-N 3.27Å; F191-T193 PolarHBondContact O-N 3.41Å; T193-Y197 WeakPolarHBondContact O-CD2 3.39Å
194	V	82.4	Confident	86.4	Confident	2 Å²	2	68 Å²	68	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-101.6	-27.4	176.2	-68.9	0	0	0	0	112.8	L169 I170 I173 F191 E192 N198	L169-V194 HydrophobicContact CD2-CG1 4.32Å; L169-V194 HydrophobicContact CD2-CG2 3.72Å; L169-V194 HydrophobicContact CG-CG2 4.15Å; I170-V194 HydrophobicContact CD1-CB 4.18Å; I170-V194 HydrophobicContact CD1-CG1 3.96Å; I170-V194 HydrophobicContact CG1-CB 3.67Å; I170-V194 HydrophobicContact CG1-CG1 3.7Å; I173-V194 HydrophobicContact CD1-CG2 4.5Å; F191-V194 HydrophobicContact CD2-CG2 4.33Å; F191-V194 WeakPolarHBondContact O-CG2 3.4Å; F191-V194 PolarHBondContact O-N 3.38Å; E192-V194 PolarHBondContact O-N 2.91Å; V194-N198 PolarHBondContact O-ND2 3.27Å
195	N	82	Confident	86.3	Confident	60 Å²	60	70.9 Å²	70.9	32%	0.321	36%	0.363	S	S	.	.	H	α-helix	trans	-75.1	-38.7	179.8	-170.8	66.2	0	0	0	112.8	F191 E192 Y197 L200	F191-N195 HydrophobicContact CD1-CB 4.35Å; F191-N195 HydrophobicContact CE1-CB 3.86Å; F191-N195 HydrophobicContact CZ-CB 4.09Å; F191-N195 PolarHBondContact O-N 3.32Å; E192-N195 PolarHBondContact O-N 3.46Å; E192-N195 VanDerWaalsContact O-N 3.14Å; N195-Y197 PolarHBondContact O-N 2.87Å; N195-Y197 VanDerWaalsContact O-N 3.11Å; N195-L200 HydrophobicContact CB-CD1 4.24Å
196	E	75.2	Confident	86.3	Confident	137 Å²	137	69 Å²	69	64%	0.64	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.4	-178.6	-74.7	175	-174.1	0	0	113.9	E192	E192-E196 WeakPolarHBondContact O-CG 3.33Å; E192-E196 PolarHBondContact O-N 3.35Å
197	Y	61.6	Low	86.5	Confident	182 Å²	182	66.9 Å²	66.9	71%	0.714	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-1.1	-169.5	-62.6	-79.1	0	0	0	114.6	T193 N195	T193-Y197 WeakPolarHBondContact O-CD2 3.39Å; N195-Y197 PolarHBondContact O-N 2.87Å; N195-Y197 VanDerWaalsContact O-N 3.11Å
198	N	66.4	Low	86.6	Confident	54 Å²	54	66.2 Å²	66.2	29%	0.289	33%	0.329	S	S	.	.	S	Bend	trans	-141.5	138.4	-170.6	-63.1	-81	0	0	0	112.9	I170 V194 L200	I170-N198 WeakPolarHBondContact CD1-ND2 3.13Å; V194-N198 PolarHBondContact O-ND2 3.27Å; N198-L200 HydrophobicContact CB-CD2 3.98Å; N198-L200 HydrophobicContact CB-CG 4.26Å; N198-L200 PolarHBondContact O-N 3.13Å
199	D	77.4	Confident	86.7	Confident	123 Å²	123	63.4 Å²	63.4	66%	0.658	32%	0.318	S	S	*	.			trans	-67.7	101.7	157.5	-175	-0.5	0	0	0	108.3	K174 S201	K174-D199 WeakPolarHBondContact CE-O 3.13Å; K174-D199 PolarHBondContact NZ-O 3.41Å; D199-S201 WeakPolarHBondContact OD1-CA 3.45Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 PolarHBondContact OD1-OG 3.04Å
200	L	82.4	Confident	86.8	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	29%	0.288	C	S	.	.			trans	-89.8	-3.5	174.7	-63.6	-179.8	0	0	0	112.2	I170 I173 K174 F191 N195 N198 L202	I170-L200 HydrophobicContact CG2-CD2 4.23Å; I173-L200 HydrophobicContact CB-CD2 4.47Å; I173-L200 HydrophobicContact CD1-CD1 4.19Å; I173-L200 HydrophobicContact CG2-CB 4.15Å; I173-L200 HydrophobicContact CG2-CD1 4.33Å; I173-L200 HydrophobicContact CG2-CD2 4.07Å; I173-L200 HydrophobicContact CG2-CG 4.42Å; K174-L200 HydrophobicContact CG-CD2 4.48Å; F191-L200 HydrophobicContact CE2-CD1 4.21Å; F191-L200 HydrophobicContact CZ-CD1 4.33Å; N195-L200 HydrophobicContact CB-CD1 4.24Å; N198-L200 HydrophobicContact CB-CD2 3.98Å; N198-L200 HydrophobicContact CB-CG 4.26Å; N198-L200 PolarHBondContact O-N 3.13Å; L200-L202 HydrophobicContact CB-CD1 3.96Å; L200-L202 HydrophobicContact CB-CG 4.07Å; L200-L202 HydrophobicContact CD1-CD1 4.24Å; L200-L202 PolarHBondContact O-N 3.48Å; L200-L202 VanDerWaalsContact O-N 3.14Å
201	S	83.2	Confident	87	Confident	73 Å²	73	62.4 Å²	62.4	51%	0.51	31%	0.31	S	S	.	.			trans	52	32	-180	-47.5	0	0	0	0	114.5	D199	D199-S201 WeakPolarHBondContact OD1-CA 3.45Å; D199-S201 PolarHBondContact OD1-N 2.9Å; D199-S201 PolarHBondContact OD1-OG 3.04Å
202	L	90	Very high	86.8	Confident	31 Å²	31	63.4 Å²	63.4	16%	0.162	32%	0.318	C	S	.	.			trans	-90.3	126	177	-65.9	169	0	0	0	110	L134 I173 I181 F191 L200 I205	L134-L202 HydrophobicContact CD1-CD2 4.28Å; I173-L202 HydrophobicContact CG2-CD1 4.14Å; I173-L202 HydrophobicContact CG2-CD2 4.45Å; I173-L202 HydrophobicContact CG2-CG 4.43Å; I181-L202 HydrophobicContact CB-CD1 4.26Å; I181-L202 HydrophobicContact CB-CD2 4.43Å; I181-L202 HydrophobicContact CG2-CD1 3.62Å; F191-L202 HydrophobicContact CE2-CD1 4.46Å; F191-L202 HydrophobicContact CZ-CD1 4.24Å; L200-L202 HydrophobicContact CB-CD1 3.96Å; L200-L202 HydrophobicContact CB-CG 4.07Å; L200-L202 HydrophobicContact CD1-CD1 4.24Å; L200-L202 PolarHBondContact O-N 3.48Å; L200-L202 VanDerWaalsContact O-N 3.14Å; L202-I205 HydrophobicContact CB-CG1 4.31Å; L202-I205 HydrophobicContact CD1-CD1 4.46Å; L202-I205 HydrophobicContact CD1-CG1 4.2Å
203	E	91.4	Very high	86.9	Confident	128 Å²	128	60 Å²	60	60%	0.598	30%	0.302	S	S	*	.	S	Bend	trans	-74.9	-31.3	175.7	-64.2	179.5	-156.9	0	0	112.4	R179	R179-E203 HydrophobicContact CG-CB 4.23Å; R179-E203 VanDerWaalsContact CG-CD 3.47Å; R179-E203 HydrophobicContact CG-CG 4.06Å; R179-E203 IonicContact CZ-OE2 3.68Å; R179-E203 VanDerWaalsContact NE-CD 3.31Å; R179-E203 IonicContact NE-OE1 3.32Å; R179-E203 PolarHBondContact NE-OE1 3.48Å; R179-E203 IonicContact NE-OE2 2.65Å; R179-E203 PolarHBondContact NE-OE2 2.93Å; R179-E203 IonicContact NH2-OE2 3.43Å; R179-E203 PolarHBondContact NH2-OE2 3.46Å; R179-E203 WeakPolarHBondContact O-CB 3.47Å; R179-E203 PolarHBondContact O-N 2.84Å
204	T	93.7	Very high	87.4	Confident	48 Å²	48	59.7 Å²	59.7	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.3	-178.8	-45.8	0	0	0	0	112.5	R179 G180 I181 W206	R179-T204 PolarHBondContact O-N 3.03Å; G180-T204 CarbonylContact C-O 3.52Å; G180-T204 WeakPolarHBondContact CA-O 3.44Å; I181-T204 PolarHBondContact N-O 3.02Å; T204-W206 HydrophobicContact CG2-CD2 3.84Å; T204-W206 HydrophobicContact CG2-CE3 4.22Å; T204-W206 HydrophobicContact CG2-CH2 3.67Å; T204-W206 HydrophobicContact CG2-CZ2 3.25Å; T204-W206 HydrophobicContact CG2-CZ3 4.13Å
205	I	95.5	Very high	87.9	Confident	60 Å²	60	59.9 Å²	59.9	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.9	178.7	-59.5	169.1	0	0	0	107.8	I181 F191 L202	I181-I205 HydrophobicContact CG2-CB 4.23Å; I181-I205 HydrophobicContact CG2-CG1 3.94Å; I181-I205 HydrophobicContact CG2-CG2 4.02Å; F191-I205 HydrophobicContact CE1-CD1 4.05Å; F191-I205 HydrophobicContact CE1-CG2 3.62Å; F191-I205 HydrophobicContact CZ-CD1 3.95Å; F191-I205 HydrophobicContact CZ-CG1 4.28Å; F191-I205 HydrophobicContact CZ-CG2 4.02Å; L202-I205 HydrophobicContact CB-CG1 4.31Å; L202-I205 HydrophobicContact CD1-CD1 4.46Å; L202-I205 HydrophobicContact CD1-CG1 4.2Å
206	W	97.8	Very high	88.4	Confident	6 Å²	6	62.8 Å²	62.8	2%	0.023	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.8	174.9	-59.1	-88.6	0	0	0	111.7	Y121 L122 F127 L133 I181 V182 V183 T204 W229	Y121-W206 AromaticContact CE1-CE2 3.78Å; Y121-W206 AromaticContact CE1-CZ2 3.9Å; Y121-W206 HydrophobicContact CE1-CZ2 3.9Å; Y121-W206 AromaticContact CE1-NE1 3.47Å; Y121-W206 AromaticContact CZ-NE1 3.64Å; Y121-W206 PolarHBondContact OH-NE1 3.19Å; L122-W206 HydrophobicContact CD2-CH2 4.47Å; F127-W206 AromaticContact CE2-CH2 3.74Å; F127-W206 HydrophobicContact CE2-CH2 3.74Å; F127-W206 AromaticContact CZ-CH2 3.91Å; F127-W206 HydrophobicContact CZ-CH2 3.91Å; F127-W206 HydrophobicContact CZ-CZ3 4.32Å; L133-W206 HydrophobicContact CD1-CE3 4.44Å; L133-W206 HydrophobicContact CD1-CZ3 3.76Å; I181-W206 PolarHBondContact O-N 2.86Å; V182-W206 HydrophobicContact CG2-CE3 4.05Å; V183-W206 PolarHBondContact N-O 3.34Å; T204-W206 HydrophobicContact CG2-CD2 3.84Å; T204-W206 HydrophobicContact CG2-CE3 4.22Å; T204-W206 HydrophobicContact CG2-CH2 3.67Å; T204-W206 HydrophobicContact CG2-CZ2 3.25Å; T204-W206 HydrophobicContact CG2-CZ3 4.13Å; W206-W229 HydrophobicContact CB-CB 4.02Å; W206-W229 HydrophobicContact CB-CD2 4.32Å; W206-W229 HydrophobicContact CB-CE3 3.59Å; W206-W229 HydrophobicContact CB-CZ3 4.42Å; W206-W229 AromaticContact CD1-CE3 3.83Å; W206-W229 AromaticContact CD2-CE3 3.74Å; W206-W229 HydrophobicContact CD2-CE3 3.74Å; W206-W229 AromaticContact CD2-CZ3 3.75Å; W206-W229 HydrophobicContact CD2-CZ3 3.75Å; W206-W229 HydrophobicContact CE3-CE3 4.25Å; W206-W229 AromaticContact CE3-CZ3 3.94Å; W206-W229 HydrophobicContact CE3-CZ3 3.94Å; W206-W229 AromaticContact CG-CE3 3.46Å; W206-W229 HydrophobicContact CG-CE3 3.46Å; W206-W229 VanDerWaalsContact CG-CE3 3.46Å; W206-W229 HydrophobicContact CG-CZ3 4Å; W206-W229 HydrophobicContact CZ3-CZ3 4.46Å
207	I	98.2	Very high	89.1	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.128	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.8	168.1	-53	-54.8	0	0	0	107.9	V183 K188 C227 S228 W229	V183-I207 HydrophobicContact CB-CD1 3.99Å; V183-I207 HydrophobicContact CG1-CD1 4.38Å; V183-I207 CarbonylContact O-C 3.55Å; V183-I207 WeakPolarHBondContact O-CA 3.21Å; K188-I207 HydrophobicContact CB-CD1 4.37Å; K188-I207 HydrophobicContact CD-CD1 4.33Å; K188-I207 HydrophobicContact CD-CG1 4.27Å; K188-I207 HydrophobicContact CD-CG2 4.3Å; K188-I207 HydrophobicContact CG-CD1 3.99Å; K188-I207 HydrophobicContact CG-CG1 4.48Å; I207-C227 HydrophobicContact CB-CB 4.45Å; I207-C227 HydrophobicContact CG2-CB 4.24Å; I207-C227 CarbonylContact O-C 3.53Å; I207-C227 WeakPolarHBondContact O-CB 3.23Å; I207-S228 PolarHBondContact N-OG 3.37Å; I207-S228 PolarHBondContact O-N 2.86Å; I207-W229 WeakPolarHBondContact O-CB 3.26Å; I207-W229 PolarHBondContact O-N 3.38Å
208	A	98	Very high	90.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.7	177.3	0	0	0	0	0	110.8	M137 V182 V183 G184 S185 E210 W229 N230	M137-A208 HydrophobicContact SD-CB 4.1Å; V182-A208 HydrophobicContact CG1-CB 3.76Å; V183-A208 PolarHBondContact O-N 3.17Å; G184-A208 CarbonylContact C-O 3.53Å; S185-A208 WeakPolarHBondContact CB-O 3.3Å; S185-A208 PolarHBondContact N-O 2.72Å; A208-E210 PolarHBondContact O-N 3.36Å; A208-W229 HydrophobicContact CB-CB 3.83Å; A208-W229 HydrophobicContact CB-CG 3.89Å; A208-N230 WeakPolarHBondContact CA-OD1 3.47Å
209	D	97	Very high	91.9	Very high	28 Å²	28	51.4 Å²	51.4	15%	0.15	26%	0.26	C	S	.	.			trans	-74.3	104.2	168.3	-175.2	-18.9	0	0	0	109	K211 S212 S213 S225 C227 N230	D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 PolarHBondContact O-N 2.99Å; D209-K211 PolarHBondContact OD1-N 3.05Å; D209-S212 VanDerWaalsContact CG-CB 3.42Å; D209-S212 VanDerWaalsContact CG-OG 3.23Å; D209-S212 PolarHBondContact OD1-N 2.92Å; D209-S212 WeakPolarHBondContact OD2-CB 3.2Å; D209-S212 PolarHBondContact OD2-OG 3.32Å; D209-S213 PolarHBondContact O-N 2.88Å; D209-S213 PolarHBondContact O-OG 3.38Å; D209-S225 WeakPolarHBondContact CB-OG 3.32Å; D209-C227 HydrophobicContact CB-CB 3.99Å; D209-N230 PolarHBondContact N-OD1 3.09Å; D209-N230 PolarHBondContact O-ND2 3.22Å
210	E	94.6	Very high	92.6	Very high	18 Å²	18	47.3 Å²	47.3	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-65.4	-31.3	-178.9	-54.7	100.4	129.9	0	0	112.3	M137 G184 S185 S186 A208	M137-E210 HydrophobicContact CE-CG 4.37Å; M137-E210 HydrophobicContact CG-CG 3.53Å; M137-E210 HydrophobicContact SD-CG 3.64Å; G184-E210 VanDerWaalsContact CA-CD 3.46Å; G184-E210 WeakPolarHBondContact CA-OE1 3.36Å; S185-E210 WeakPolarHBondContact CB-OE2 3.19Å; S185-E210 PolarHBondContact N-OE1 3.37Å; S185-E210 PolarHBondContact N-OE2 3.02Å; S185-E210 PolarHBondContact OG-OE2 3.48Å; S186-E210 WeakPolarHBondContact CB-OE1 3.44Å; S186-E210 PolarHBondContact N-OE1 3.24Å; S186-E210 PolarHBondContact N-OE2 3.5Å; S186-E210 PolarHBondContact OG-OE1 3.15Å; A208-E210 PolarHBondContact O-N 3.36Å
211	K	91.8	Very high	92.9	Very high	177 Å²	177	52.8 Å²	52.8	77%	0.77	27%	0.27	S	S	*	.	S	Bend	trans	-81.5	-36	-176.8	-68.2	-175.3	177.5	-177.3	0	111.8	D209 S213 L214	D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 PolarHBondContact O-N 2.99Å; D209-K211 PolarHBondContact OD1-N 3.05Å; K211-S213 PolarHBondContact O-N 3.31Å; K211-L214 VanDerWaalsContact O-CD2 3.32Å; K211-L214 WeakPolarHBondContact O-CD2 3.18Å
212	S	89.6	Confident	93.2	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	27%	0.273	C	S	.	.	S	Bend	trans	-82.1	-2.1	176.4	-60.6	0	0	0	0	113.4	D209 L214 T217	D209-S212 VanDerWaalsContact CG-CB 3.42Å; D209-S212 VanDerWaalsContact CG-OG 3.23Å; D209-S212 PolarHBondContact OD1-N 2.92Å; D209-S212 WeakPolarHBondContact OD2-CB 3.2Å; D209-S212 PolarHBondContact OD2-OG 3.32Å; S212-L214 PolarHBondContact O-N 3.21Å; S212-L214 VanDerWaalsContact O-N 3.16Å; S212-T217 WeakPolarHBondContact O-CG2 3.41Å
213	S	92.7	Very high	93.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	28%	0.278	C	S	.	.			trans	-84.2	83.2	171.6	-56.8	0	0	0	0	109.2	W106 D209 K211 N230	W106-S213 WeakPolarHBondContact CZ2-O 3.44Å; D209-S213 PolarHBondContact O-N 2.88Å; D209-S213 PolarHBondContact O-OG 3.38Å; K211-S213 PolarHBondContact O-N 3.31Å; S213-N230 PolarHBondContact OG-ND2 2.91Å; S213-N230 VanDerWaalsContact OG-ND2 3.16Å
214	L	94.2	Very high	93.1	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.335	29%	0.288	S	S	.	.			trans	-103.6	161.7	-174	-59.9	176.7	0	0	0	112.1	Q104 W106 K211 S212 E216 T217	Q104-L214 HydrophobicContact CG-CD2 4.14Å; W106-L214 WeakPolarHBondContact CH2-O 3.35Å; W106-L214 WeakPolarHBondContact CZ2-O 3.42Å; K211-L214 VanDerWaalsContact O-CD2 3.32Å; K211-L214 WeakPolarHBondContact O-CD2 3.18Å; S212-L214 PolarHBondContact O-N 3.21Å; S212-L214 VanDerWaalsContact O-N 3.16Å; L214-E216 VanDerWaalsContact CB-OE2 3.25Å; L214-E216 WeakPolarHBondContact CB-OE2 3.25Å; L214-E216 PolarHBondContact O-N 3.22Å; L214-E216 VanDerWaalsContact O-N 3.14Å; L214-T217 HydrophobicContact CB-CG2 4.24Å; L214-T217 PolarHBondContact O-N 2.81Å; L214-T217 PolarHBondContact O-OG1 2.91Å
215	P	93.8	Very high	93.1	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.039	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34.1	177.8	-20.8	27.9	0	0	0	113.7	V105 W106 Q110 T217 A218	V105-P215 VanDerWaalsContact O-CG 3.28Å; V105-P215 WeakPolarHBondContact O-CG 3.34Å; W106-P215 HydrophobicContact CD2-CB 4.16Å; W106-P215 HydrophobicContact CD2-CG 4.06Å; W106-P215 HydrophobicContact CG-CB 4.36Å; W106-P215 HydrophobicContact CG-CG 3.96Å; W106-P215 HydrophobicContact CZ2-CG 4.49Å; Q110-P215 HydrophobicContact CG-CB 4.44Å; Q110-P215 VanDerWaalsContact NE2-CB 3.29Å; P215-T217 VanDerWaalsContact C-N 3.3Å; P215-T217 PolarHBondContact O-N 3.14Å; P215-A218 WeakPolarHBondContact O-CB 3.15Å; P215-A218 PolarHBondContact O-N 2.97Å
216	E	92.5	Very high	93	Very high	121 Å²	121	54.5 Å²	54.5	57%	0.565	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29.1	179.8	-58.9	72.3	-155.1	0	0	111.9	L214 A218 Y219 S220	L214-E216 VanDerWaalsContact CB-OE2 3.25Å; L214-E216 WeakPolarHBondContact CB-OE2 3.25Å; L214-E216 PolarHBondContact O-N 3.22Å; L214-E216 VanDerWaalsContact O-N 3.14Å; E216-A218 PolarHBondContact O-N 2.69Å; E216-Y219 PolarHBondContact O-N 2.97Å; E216-S220 WeakPolarHBondContact O-CB 3.44Å; E216-S220 PolarHBondContact O-N 3.15Å; E216-S220 VanDerWaalsContact O-N 3.1Å
217	T	90.4	Very high	92.9	Very high	29 Å²	29	55.2 Å²	55.2	18%	0.178	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-69.5	-16.7	178.7	72.9	0	0	0	0	112.3	K117 S212 L214 P215 Y219	K117-T217 PolarHBondContact NZ-O 2.99Å; S212-T217 WeakPolarHBondContact O-CG2 3.41Å; L214-T217 HydrophobicContact CB-CG2 4.24Å; L214-T217 PolarHBondContact O-N 2.81Å; L214-T217 PolarHBondContact O-OG1 2.91Å; P215-T217 VanDerWaalsContact C-N 3.3Å; P215-T217 PolarHBondContact O-N 3.14Å; T217-Y219 PolarHBondContact O-N 2.88Å
218	A	91.8	Very high	92.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.4	-36.1	174.6	0	0	0	0	0	112.4	W106 Q110 A113 K117 P215 E216	W106-A218 HydrophobicContact CZ3-CB 4.43Å; Q110-A218 HydrophobicContact CB-CB 4.09Å; Q110-A218 HydrophobicContact CG-CB 4.42Å; Q110-A218 VanDerWaalsContact O-CB 3.24Å; Q110-A218 WeakPolarHBondContact O-CB 3.48Å; A113-A218 HydrophobicContact CB-CB 4.14Å; K117-A218 WeakPolarHBondContact CE-O 3.4Å; P215-A218 WeakPolarHBondContact O-CB 3.15Å; P215-A218 PolarHBondContact O-N 2.97Å; E216-A218 PolarHBondContact O-N 2.69Å
219	Y	93.8	Very high	92.7	Very high	106 Å²	106	56.6 Å²	56.6	42%	0.416	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-17.6	-178.8	-57.4	-68	0	0	0	113.9	G109 Q110 A113 E216 T217 H238	G109-Y219 PolarHBondContact O-OH 3.06Å; G109-Y219 VanDerWaalsContact O-OH 3.05Å; Q110-Y219 HydrophobicContact CB-CE2 4.44Å; Q110-Y219 HydrophobicContact CG-CD2 4.29Å; Q110-Y219 HydrophobicContact CG-CE2 3.52Å; Q110-Y219 PolarHBondContact N-OH 3.42Å; A113-Y219 HydrophobicContact CB-CD1 3.82Å; A113-Y219 HydrophobicContact CB-CE1 3.28Å; E216-Y219 PolarHBondContact O-N 2.97Å; T217-Y219 PolarHBondContact O-N 2.88Å; Y219-H238 AromaticContact CD1-CD2 3.87Å; Y219-H238 AromaticContact CD1-NE2 3.86Å
220	S	91.5	Very high	92.8	Very high	37 Å²	37	55.8 Å²	55.8	26%	0.259	31%	0.312	S	S	.	.			trans	-67.9	140.4	-179	-176.9	0	0	0	0	113.3	K117 E216 S222	K117-S220 PolarHBondContact NZ-O 3.48Å; E216-S220 WeakPolarHBondContact O-CB 3.44Å; E216-S220 PolarHBondContact O-N 3.15Å; E216-S220 VanDerWaalsContact O-N 3.1Å; S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact OG-N 2.87Å; S220-S222 PolarHBondContact OG-O 3.36Å; S220-S222 PolarHBondContact OG-OG 3.02Å
221	N	89.5	Confident	92.9	Very high	125 Å²	125	58.1 Å²	58.1	67%	0.668	33%	0.325	S	S	*	.	S	Bend	trans	-93.4	13.1	169.9	-66	-22.2	0	0	0	112.9	A234	N221-A234 CarbonylContact C-O 3.55Å; N221-A234 VanDerWaalsContact CA-O 3.3Å; N221-A234 WeakPolarHBondContact CA-O 3.26Å
222	S	89.1	Confident	93	Very high	83 Å²	83	50.2 Å²	50.2	58%	0.58	29%	0.292	S	S	*	.			trans	-140.3	160	177.6	65.3	0	0	0	0	111.2	S220	S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact OG-N 2.87Å; S220-S222 PolarHBondContact OG-O 3.36Å; S220-S222 PolarHBondContact OG-OG 3.02Å
223	T	90.9	Very high	93.4	Very high	43 Å²	43	49.4 Å²	49.4	26%	0.264	29%	0.286	S	S	.	.			trans	-144.8	146.5	175.6	-174.2	0	0	0	0	109.9	S225 N230 I231 A234	T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact OG1-N 3.35Å; T223-N230 HydrophobicContact CG2-CB 4.32Å; T223-I231 HydrophobicContact CG2-CG1 4.23Å; T223-A234 HydrophobicContact CG2-CB 3.97Å
224	S	89.7	Confident	93.4	Very high	114 Å²	114	49.8 Å²	49.8	80%	0.797	29%	0.289	S	S	*	.	S	Bend	trans	-82.5	-11.4	170	54.6	0	0	0	0	112.8
225	S	92	Very high	93.4	Very high	7 Å²	7	53.4 Å²	53.4	5%	0.049	31%	0.305	C	S	.	.			trans	-72.3	136.9	179.8	160.4	0	0	0	0	111.3	D209 T223 C227 N230 I231	D209-S225 WeakPolarHBondContact CB-OG 3.32Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact OG1-N 3.35Å; S225-C227 WeakPolarHBondContact OG-CB 3.47Å; S225-C227 PolarHBondContact OG-N 3.4Å; S225-N230 WeakPolarHBondContact OG-CB 3.42Å; S225-I231 WeakPolarHBondContact O-CG1 3.31Å
226	T	93.3	Very high	93.5	Very high	130 Å²	130	53.4 Å²	53.4	80%	0.798	30%	0.304	S	S	*	.			trans	-88.3	-4.8	171.5	56.4	0	0	0	0	113.3
227	C	95.8	Very high	93.6	Very high	21 Å²	21	51.1 Å²	51.1	14%	0.142	30%	0.3	C	S	.	.	S	Bend	trans	-73.2	139.2	179.2	-67.3	0	0	0	0	112.3	I207 D209 S225 W229 N230 I231	I207-C227 HydrophobicContact CB-CB 4.45Å; I207-C227 HydrophobicContact CG2-CB 4.24Å; I207-C227 CarbonylContact O-C 3.53Å; I207-C227 WeakPolarHBondContact O-CB 3.23Å; D209-C227 HydrophobicContact CB-CB 3.99Å; S225-C227 WeakPolarHBondContact OG-CB 3.47Å; S225-C227 PolarHBondContact OG-N 3.4Å; C227-W229 PolarHBondContact O-N 2.86Å; C227-N230 PolarHBondContact O-N 3.5Å; C227-I231 WeakPolarHBondContact O-CG1 3.3Å; C227-I231 PolarHBondContact O-N 2.84Å
228	S	96.5	Very high	93.8	Very high	54 Å²	54	53.3 Å²	53.3	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-36.4	-168.9	57.3	0	0	0	0	114.3	I207 A232	I207-S228 PolarHBondContact N-OG 3.37Å; I207-S228 PolarHBondContact O-N 2.86Å; S228-A232 VanDerWaalsContact O-CB 3.29Å; S228-A232 WeakPolarHBondContact O-CB 3.3Å; S228-A232 PolarHBondContact O-N 3.38Å
229	W	97.3	Very high	93.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-48.5	177.5	-173.7	-107.6	0	0	0	111.7	V118 Y121 L122 I146 V182 W206 I207 A208 C227 I231 A232 L233	V118-W229 HydrophobicContact CG1-CH2 4.22Å; V118-W229 HydrophobicContact CG1-CZ2 3.97Å; V118-W229 HydrophobicContact CG2-CZ2 4.04Å; Y121-W229 HydrophobicContact CD1-CH2 4.44Å; Y121-W229 HydrophobicContact CD1-CZ3 4.12Å; Y121-W229 HydrophobicContact CE1-CE3 4.36Å; Y121-W229 HydrophobicContact CE1-CZ3 4.07Å; L122-W229 HydrophobicContact CD2-CH2 4.32Å; I146-W229 HydrophobicContact CD1-CZ2 4.45Å; I146-W229 HydrophobicContact CG1-CZ2 3.86Å; I146-W229 HydrophobicContact CG2-CZ2 4.04Å; V182-W229 HydrophobicContact CG1-CD2 3.91Å; V182-W229 HydrophobicContact CG1-CE3 4.24Å; V182-W229 HydrophobicContact CG1-CG 4.1Å; V182-W229 HydrophobicContact CG2-CD2 4.09Å; V182-W229 HydrophobicContact CG2-CE3 3.7Å; V182-W229 HydrophobicContact CG2-CH2 3.65Å; V182-W229 HydrophobicContact CG2-CZ2 4.06Å; V182-W229 HydrophobicContact CG2-CZ3 3.46Å; V182-W229 VanDerWaalsContact CG2-CZ3 3.46Å; W206-W229 HydrophobicContact CB-CB 4.02Å; W206-W229 HydrophobicContact CB-CD2 4.32Å; W206-W229 HydrophobicContact CB-CE3 3.59Å; W206-W229 HydrophobicContact CB-CZ3 4.42Å; W206-W229 AromaticContact CD1-CE3 3.83Å; W206-W229 AromaticContact CD2-CE3 3.74Å; W206-W229 HydrophobicContact CD2-CE3 3.74Å; W206-W229 AromaticContact CD2-CZ3 3.75Å; W206-W229 HydrophobicContact CD2-CZ3 3.75Å; W206-W229 HydrophobicContact CE3-CE3 4.25Å; W206-W229 AromaticContact CE3-CZ3 3.94Å; W206-W229 HydrophobicContact CE3-CZ3 3.94Å; W206-W229 AromaticContact CG-CE3 3.46Å; W206-W229 HydrophobicContact CG-CE3 3.46Å; W206-W229 VanDerWaalsContact CG-CE3 3.46Å; W206-W229 HydrophobicContact CG-CZ3 4Å; W206-W229 HydrophobicContact CZ3-CZ3 4.46Å; I207-W229 WeakPolarHBondContact O-CB 3.26Å; I207-W229 PolarHBondContact O-N 3.38Å; A208-W229 HydrophobicContact CB-CB 3.83Å; A208-W229 HydrophobicContact CB-CG 3.89Å; C227-W229 PolarHBondContact O-N 2.86Å; W229-I231 PolarHBondContact O-N 3.29Å; W229-A232 PolarHBondContact O-N 3.1Å; W229-L233 HydrophobicContact CZ2-CD1 4.26Å; W229-L233 HydrophobicContact CZ2-CD2 4.36Å; W229-L233 VanDerWaalsContact NE1-CD1 3.29Å; W229-L233 WeakPolarHBondContact O-CG 3.16Å; W229-L233 PolarHBondContact O-N 3.15Å
230	N	97.4	Very high	93.9	Very high	10 Å²	10	55 Å²	55	5%	0.053	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-41	-176.3	-54.9	69.2	0	0	0	111.2	A208 D209 S213 T223 S225 C227 A232 L233 A234	A208-N230 WeakPolarHBondContact CA-OD1 3.47Å; D209-N230 PolarHBondContact N-OD1 3.09Å; D209-N230 PolarHBondContact O-ND2 3.22Å; S213-N230 PolarHBondContact OG-ND2 2.91Å; S213-N230 VanDerWaalsContact OG-ND2 3.16Å; T223-N230 HydrophobicContact CG2-CB 4.32Å; S225-N230 WeakPolarHBondContact OG-CB 3.42Å; C227-N230 PolarHBondContact O-N 3.5Å; N230-A232 VanDerWaalsContact C-N 3.35Å; N230-L233 PolarHBondContact O-N 3.49Å; N230-A234 WeakPolarHBondContact O-CB 3.31Å; N230-A234 PolarHBondContact O-N 2.85Å
231	I	96.4	Very high	94	Very high	68 Å²	68	53.6 Å²	53.6	35%	0.349	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-47.5	175	-66.1	170.7	0	0	0	109.9	T223 S225 C227 W229 L233 A234 Q235	T223-I231 HydrophobicContact CG2-CG1 4.23Å; S225-I231 WeakPolarHBondContact O-CG1 3.31Å; C227-I231 WeakPolarHBondContact O-CG1 3.3Å; C227-I231 PolarHBondContact O-N 2.84Å; W229-I231 PolarHBondContact O-N 3.29Å; I231-L233 PolarHBondContact O-N 3.32Å; I231-A234 PolarHBondContact O-N 3.13Å; I231-Q235 WeakPolarHBondContact O-CG 3.39Å; I231-Q235 PolarHBondContact O-N 3.14Å
232	A	95.8	Very high	94.1	Very high	10 Å²	10	54.9 Å²	54.9	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-44.9	179.8	0	0	0	0	0	112.6	Y121 S228 W229 N230 A234 Q235 V236	Y121-A232 HydrophobicContact CD1-CB 4.42Å; Y121-A232 HydrophobicContact CD2-CB 4.23Å; Y121-A232 HydrophobicContact CE1-CB 3.84Å; Y121-A232 HydrophobicContact CE2-CB 3.64Å; Y121-A232 VanDerWaalsContact CZ-CB 3.42Å; S228-A232 VanDerWaalsContact O-CB 3.29Å; S228-A232 WeakPolarHBondContact O-CB 3.3Å; S228-A232 PolarHBondContact O-N 3.38Å; W229-A232 PolarHBondContact O-N 3.1Å; N230-A232 VanDerWaalsContact C-N 3.35Å; A232-A234 VanDerWaalsContact C-N 3.35Å; A232-A234 PolarHBondContact O-N 3.35Å; A232-Q235 PolarHBondContact O-N 3.47Å; A232-V236 WeakPolarHBondContact O-CG2 3.27Å
233	L	96.2	Very high	94.3	Very high	8 Å²	8	56 Å²	56	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-68.5	-30.3	178.1	-68.3	-170.1	0	0	0	113.5	Y114 K117 V118 Y121 W229 N230 I231 Q235 V236	Y114-L233 HydrophobicContact CE1-CD1 4.44Å; Y114-L233 HydrophobicContact CE2-CD1 4.02Å; K117-L233 HydrophobicContact CB-CD2 4.42Å; V118-L233 HydrophobicContact CB-CD2 4.49Å; V118-L233 HydrophobicContact CG2-CD1 3.79Å; V118-L233 HydrophobicContact CG2-CD2 4.05Å; Y121-L233 HydrophobicContact CD1-CD2 4.18Å; Y121-L233 HydrophobicContact CG-CD2 4.21Å; W229-L233 HydrophobicContact CZ2-CD1 4.26Å; W229-L233 HydrophobicContact CZ2-CD2 4.36Å; W229-L233 VanDerWaalsContact NE1-CD1 3.29Å; W229-L233 WeakPolarHBondContact O-CG 3.16Å; W229-L233 PolarHBondContact O-N 3.15Å; N230-L233 PolarHBondContact O-N 3.49Å; I231-L233 PolarHBondContact O-N 3.32Å; L233-Q235 PolarHBondContact O-N 2.93Å; L233-V236 PolarHBondContact O-N 3.04Å
234	A	94.6	Very high	94.3	Very high	10 Å²	10	56 Å²	56	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-25.8	176.4	0	0	0	0	0	112.4	N221 T223 N230 I231 A232	N221-A234 CarbonylContact C-O 3.55Å; N221-A234 VanDerWaalsContact CA-O 3.3Å; N221-A234 WeakPolarHBondContact CA-O 3.26Å; T223-A234 HydrophobicContact CG2-CB 3.97Å; N230-A234 WeakPolarHBondContact O-CB 3.31Å; N230-A234 PolarHBondContact O-N 2.85Å; I231-A234 PolarHBondContact O-N 3.13Å; A232-A234 VanDerWaalsContact C-N 3.35Å; A232-A234 PolarHBondContact O-N 3.35Å
235	Q	93.5	Very high	94.4	Very high	140 Å²	140	58 Å²	58	65%	0.654	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6	-177.1	-63.6	174.6	-2.9	0	0	114	I231 A232 L233	I231-Q235 WeakPolarHBondContact O-CG 3.39Å; I231-Q235 PolarHBondContact O-N 3.14Å; A232-Q235 PolarHBondContact O-N 3.47Å; L233-Q235 PolarHBondContact O-N 2.93Å
236	V	94.9	Very high	94.3	Very high	6 Å²	6	63.8 Å²	63.8	4%	0.036	35%	0.348	C	S	.	.	S	Bend	trans	-122.4	139.3	-173.1	177.8	0	0	0	0	110.2	K117 N120 Y121 A232 L233	K117-V236 WeakPolarHBondContact CE-O 3.3Å; N120-V236 HydrophobicContact CB-CG1 3.4Å; Y121-V236 HydrophobicContact CD2-CG2 3.85Å; Y121-V236 HydrophobicContact CG-CG2 4.36Å; A232-V236 WeakPolarHBondContact O-CG2 3.27Å; L233-V236 PolarHBondContact O-N 3.04Å
237	P	94.5	Very high	94.2	Very high	72 Å²	72	60.5 Å²	60.5	47%	0.468	33%	0.325	S	S	.	.			trans	-67.2	152.8	179.9	29.1	-37.6	0	0	0	112.4	N120	N120-P237 PolarHBondContact ND2-O 3.16Å
238	H	94.9	Very high	93.7	Very high	75 Å²	75	62 Å²	62	35%	0.347	34%	0.338	S	S	.	.			trans	-93.5	10.6	176.4	62.3	-91.9	0	0	0	113.6	A113 N116 K117 Y219	A113-H238 HydrophobicContact CB-CB 4.04Å; N116-H238 VanDerWaalsContact CB-O 3.24Å; N116-H238 WeakPolarHBondContact CB-O 3.41Å; N116-H238 PolarHBondContact ND2-O 3.09Å; N116-H238 VanDerWaalsContact ND2-O 3.17Å; K117-H238 HydrophobicContact CD-CB 4.38Å; K117-H238 HydrophobicContact CG-CB 3.79Å; Y219-H238 AromaticContact CD1-CD2 3.87Å; Y219-H238 AromaticContact CD1-NE2 3.86Å
239	C	94.7	Very high	93.2	Very high	71 Å²	71	59.7 Å²	59.7	48%	0.48	32%	0.322	S	S	.	.	S	Bend	trans	-62.6	150.8	175.6	59.1	0	0	0	0	110.9	N116 N120	N116-C239 WeakPolarHBondContact CB-O 3.24Å; N120-C239 PolarHBondContact ND2-O 2.7Å
240	T	94.1	Very high	92.6	Very high	70 Å²	70	61.5 Å²	61.5	43%	0.429	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57.9	129.7	179.3	-53.2	0	0	0	0	110.3
241	P	93.4	Very high	91.9	Very high	9 Å²	9	70.6 Å²	70.6	6%	0.058	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.6	163.9	178.8	28	-36.5	0	0	0	111.7	N116 A119 N120 K152	N116-P241 VanDerWaalsContact OD1-CD 3.24Å; N116-P241 WeakPolarHBondContact OD1-CD 3.26Å; A119-P241 HydrophobicContact CB-CB 3.93Å; A119-P241 HydrophobicContact CB-CG 3.73Å; N120-P241 WeakPolarHBondContact OD1-CA 3.32Å; N120-P241 WeakPolarHBondContact OD1-CB 3.39Å; K152-P241 HydrophobicContact CB-CG 4.01Å; K152-P241 HydrophobicContact CD-CG 4.28Å
242	I	92	Very high	91.7	Very high	152 Å²	152	68.1 Å²	68.1	78%	0.779	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-56.9	126.7	175.5	-61.7	172.7	0	0	0	109.1	L244	I242-L244 PolarHBondContact O-N 3.25Å
243	P	91.5	Very high	91.7	Very high	107 Å²	107	70.8 Å²	70.8	70%	0.695	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-60.7	132.9	179	-24.3	34.1	0	0	0	112.4
244	L	91.9	Very high	91.7	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.215	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-73.4	145.7	173.3	-60.2	170.5	0	0	0	111.3	K152 I242 R246	K152-L244 WeakPolarHBondContact O-CD1 3.32Å; I242-L244 PolarHBondContact O-N 3.25Å; L244-R246 PolarHBondContact O-N 3.42Å
245	Q	90.8	Very high	91.9	Very high	158 Å²	158	70.1 Å²	70.1	74%	0.738	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.2	133.7	167.2	-175	-179	7.1	0	0	110.1	R129	R129-Q245 PolarHBondContact NH1-O 2.95Å; R129-Q245 PolarHBondContact NH2-O 3.42Å
246	R	91.2	Very high	92.1	Very high	128 Å²	128	64.3 Å²	64.3	48%	0.483	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-68.4	136.7	177.6	-66.6	-176.2	173.8	161.8	9.1	111.2	T77 G78 D83 L244	T77-R246 VanDerWaalsContact O-CD 3.28Å; T77-R246 WeakPolarHBondContact O-CD 3.48Å; T77-R246 PolarHBondContact O-NH1 3.17Å; G78-R246 WeakPolarHBondContact O-CB 3.36Å; G78-R246 VanDerWaalsContact O-CD 3.3Å; G78-R246 WeakPolarHBondContact O-CD 3.23Å; G78-R246 VanDerWaalsContact O-CG 3.25Å; G78-R246 WeakPolarHBondContact O-CG 3.27Å; D83-R246 IonicContact OD2-CZ 3.69Å; D83-R246 IonicContact OD2-NE 2.63Å; D83-R246 PolarHBondContact OD2-NE 3.36Å; D83-R246 IonicContact OD2-NH2 3.19Å; D83-R246 PolarHBondContact OD2-NH2 2.96Å; L244-R246 PolarHBondContact O-N 3.42Å
247	I	90.5	Very high	92	Very high	61 Å²	61	64 Å²	64	31%	0.313	33%	0.332	S	S	.	.			trans	-129.7	170	172.9	67.2	169	0	0	0	109.4	N249 E252	I247-N249 PolarHBondContact O-N 2.89Å; I247-E252 HydrophobicContact CD1-CB 3.99Å; I247-E252 HydrophobicContact CD1-CG 4.4Å; I247-E252 WeakPolarHBondContact CD1-OE2 3.47Å; I247-E252 HydrophobicContact CG1-CB 4.2Å; I247-E252 WeakPolarHBondContact CG1-OE2 3.4Å
248	A	86.3	Confident	91.7	Very high	51 Å²	51	61 Å²	61	42%	0.421	31%	0.311	S	S	.	.			trans	-57.7	122	175.8	0	0	0	0	0	111	S250 R251 E252	A248-S250 PolarHBondContact O-N 3.34Å; A248-S250 VanDerWaalsContact O-N 3.09Å; A248-R251 HydrophobicContact CB-CG 4.32Å; A248-R251 PolarHBondContact O-N 2.97Å; A248-E252 PolarHBondContact O-N 2.59Å
249	N	86.4	Confident	90.8	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.032	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.6	-176.2	-61.2	97.1	0	0	0	114.4	L74 Q79 I247 R251 N273 L274	L74-N249 HydrophobicContact CD2-CB 4.33Å; L74-N249 HydrophobicContact CG-CB 4.29Å; L74-N249 PolarHBondContact O-OD1 3.32Å; Q79-N249 PolarHBondContact O-ND2 3.48Å; I247-N249 PolarHBondContact O-N 2.89Å; N249-R251 VanDerWaalsContact C-N 3.26Å; N249-R251 PolarHBondContact O-N 2.84Å; N249-N273 HydrophobicContact CB-CB 4.35Å; N249-L274 HydrophobicContact CB-CB 4.16Å; N249-L274 PolarHBondContact O-N 3.45Å
250	S	84.2	Confident	89.3	Confident	39 Å²	39	59 Å²	59	27%	0.273	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.1	174.8	52.2	0	0	0	0	113.7	A248 T272	A248-S250 PolarHBondContact O-N 3.34Å; A248-S250 VanDerWaalsContact O-N 3.09Å; S250-T272 WeakPolarHBondContact O-CG2 3.45Å
251	R	83	Confident	87.3	Confident	201 Å²	201	57 Å²	57	76%	0.758	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-9.9	178.9	-62.3	-174.1	-179.7	-178.5	-0.2	113.2	A248 N249 H253	A248-R251 HydrophobicContact CB-CG 4.32Å; A248-R251 PolarHBondContact O-N 2.97Å; N249-R251 VanDerWaalsContact C-N 3.26Å; N249-R251 PolarHBondContact O-N 2.84Å; R251-H253 PolarHBondContact O-N 3.2Å
252	E	92.1	Very high	85	Confident	15 Å²	15	59.9 Å²	59.9	7%	0.07	32%	0.316	C	S	.	.			trans	-90.5	106.4	-179.7	-171	78.3	-103.2	0	0	109.1	R129 I247 A248 L254 T272 N273	R129-E252 IonicContact CZ-OE2 2.68Å; R129-E252 IonicContact NE-OE1 3.79Å; R129-E252 IonicContact NE-OE2 2.97Å; R129-E252 PolarHBondContact NE-OE2 2.89Å; R129-E252 IonicContact NH2-OE2 3.18Å; R129-E252 PolarHBondContact NH2-OE2 3.4Å; I247-E252 HydrophobicContact CD1-CB 3.99Å; I247-E252 HydrophobicContact CD1-CG 4.4Å; I247-E252 WeakPolarHBondContact CD1-OE2 3.47Å; I247-E252 HydrophobicContact CG1-CB 4.2Å; I247-E252 WeakPolarHBondContact CG1-OE2 3.4Å; A248-E252 PolarHBondContact O-N 2.59Å; E252-L254 PolarHBondContact O-N 2.76Å; E252-T272 CarbonylContact O-C 3.59Å; E252-T272 WeakPolarHBondContact O-CA 3.32Å; E252-T272 WeakPolarHBondContact O-CB 3.42Å; E252-N273 VanDerWaalsContact CG-ND2 3.26Å; E252-N273 WeakPolarHBondContact CG-ND2 3.36Å; E252-N273 PolarHBondContact O-N 3.27Å
253	H	94.8	Very high	82.9	Confident	67 Å²	67	59.1 Å²	59.1	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.5	174.5	-66.6	-171.4	0	0	0	109	A156 R251 Y256	A156-H253 HydrophobicContact CB-CB 4Å; A156-H253 WeakPolarHBondContact CB-O 3.32Å; R251-H253 PolarHBondContact O-N 3.2Å; H253-Y256 AromaticContact ND1-CE1 3.84Å; H253-Y256 AromaticContact ND1-CZ 3.56Å; H253-Y256 PolarHBondContact ND1-OH 2.91Å
254	L	96.7	Very high	81.1	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-54	-176.8	-178.4	61.2	0	0	0	110.7	F81 W147 A151 A156 T157 E252 V271 N273 Y276	F81-L254 HydrophobicContact CB-CD1 4.04Å; F81-L254 HydrophobicContact CD2-CD1 4.02Å; F81-L254 HydrophobicContact CD2-CD2 3.46Å; F81-L254 VanDerWaalsContact CD2-CD2 3.46Å; F81-L254 HydrophobicContact CD2-CG 4.37Å; F81-L254 HydrophobicContact CE2-CD2 3.52Å; F81-L254 HydrophobicContact CG-CD1 3.98Å; F81-L254 HydrophobicContact CG-CD2 4.23Å; F81-L254 HydrophobicContact CZ-CD2 4.32Å; W147-L254 HydrophobicContact CE3-CD1 4.38Å; W147-L254 HydrophobicContact CE3-CG 4.48Å; W147-L254 HydrophobicContact CH2-CD2 4.32Å; W147-L254 HydrophobicContact CZ3-CD1 3.83Å; W147-L254 HydrophobicContact CZ3-CD2 3.87Å; W147-L254 HydrophobicContact CZ3-CG 3.85Å; A151-L254 HydrophobicContact CB-CD1 3.41Å; A151-L254 VanDerWaalsContact CB-CD1 3.41Å; A156-L254 WeakPolarHBondContact CA-O 3.44Å; T157-L254 PolarHBondContact N-O 2.81Å; E252-L254 PolarHBondContact O-N 2.76Å; L254-V271 WeakPolarHBondContact CB-O 3.34Å; L254-V271 PolarHBondContact N-O 2.88Å; L254-N273 VanDerWaalsContact CD1-OD1 3.3Å; L254-N273 WeakPolarHBondContact CD1-OD1 3.11Å; L254-N273 WeakPolarHBondContact CD2-OD1 3.3Å; L254-Y276 HydrophobicContact CD2-CD1 4.32Å; L254-Y276 HydrophobicContact CD2-CD2 3.65Å; L254-Y276 HydrophobicContact CD2-CE2 4.36Å; L254-Y276 HydrophobicContact CD2-CG 3.63Å
255	I	97.9	Very high	80	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.6	179.4	57.7	-177.3	0	0	0	110.3	W147 T157 L159 V257 V271 Y276 I308	W147-I255 HydrophobicContact CD2-CG2 4.19Å; W147-I255 HydrophobicContact CE3-CG2 3.81Å; W147-I255 HydrophobicContact CZ3-CG2 4.31Å; T157-I255 CarbonylContact O-C 3.48Å; T157-I255 WeakPolarHBondContact O-CA 3.49Å; T157-I255 WeakPolarHBondContact O-CB 3.34Å; L159-I255 HydrophobicContact CD1-CB 4.26Å; L159-I255 HydrophobicContact CD1-CD1 3.97Å; L159-I255 HydrophobicContact CD1-CG2 4.37Å; L159-I255 HydrophobicContact CD2-CG2 4.37Å; L159-I255 HydrophobicContact CG-CB 4.3Å; L159-I255 HydrophobicContact CG-CG2 4.44Å; I255-V257 HydrophobicContact CD1-CG2 4.22Å; I255-V257 HydrophobicContact CG1-CG2 4.39Å; I255-V271 HydrophobicContact CD1-CG1 4.45Å; I255-V271 HydrophobicContact CG1-CB 3.73Å; I255-V271 HydrophobicContact CG1-CG1 4.02Å; I255-V271 HydrophobicContact CG1-CG2 4.31Å; I255-V271 PolarHBondContact N-O 2.74Å; I255-V271 WeakPolarHBondContact O-CB 3.47Å; I255-V271 PolarHBondContact O-N 2.92Å; I255-Y276 HydrophobicContact CD1-CD2 3.88Å; I255-Y276 HydrophobicContact CD1-CE2 3.96Å; I255-I308 HydrophobicContact CD1-CD1 3.89Å; I255-I308 HydrophobicContact CD1-CG1 4.03Å
256	Y	97.6	Very high	79.1	Confident	17 Å²	17	52.2 Å²	52.2	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.6	167.7	-58.2	-89.7	0	0	0	109.2	I132 A156 T157 L159 L176 H253 A269 I270 V478	I132-Y256 HydrophobicContact CD1-CE2 3.72Å; I132-Y256 HydrophobicContact CG1-CE2 3.93Å; I132-Y256 HydrophobicContact CG2-CD2 4.41Å; I132-Y256 HydrophobicContact CG2-CE2 4.25Å; A156-Y256 HydrophobicContact CB-CD2 4.22Å; A156-Y256 HydrophobicContact CB-CE2 3.56Å; T157-Y256 PolarHBondContact O-N 3.2Å; L159-Y256 PolarHBondContact N-O 3.05Å; L176-Y256 HydrophobicContact CD1-CD2 3.97Å; L176-Y256 HydrophobicContact CD1-CG 3.97Å; L176-Y256 HydrophobicContact CD2-CD1 3.75Å; L176-Y256 HydrophobicContact CD2-CD2 3.95Å; L176-Y256 HydrophobicContact CD2-CE1 4.03Å; L176-Y256 HydrophobicContact CD2-CE2 4.25Å; L176-Y256 HydrophobicContact CD2-CG 3.67Å; H253-Y256 AromaticContact ND1-CE1 3.84Å; H253-Y256 AromaticContact ND1-CZ 3.56Å; H253-Y256 PolarHBondContact ND1-OH 2.91Å; Y256-A269 WeakPolarHBondContact CA-O 3.28Å; Y256-I270 HydrophobicContact CD1-CG1 4.24Å; Y256-I270 HydrophobicContact CE1-CG1 4.02Å; Y256-V478 HydrophobicContact CD1-CG2 3.6Å; Y256-V478 HydrophobicContact CE1-CG2 3.41Å; Y256-V478 VanDerWaalsContact CE1-CG2 3.41Å
257	V	94.7	Very high	78.7	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.1	-178.5	171.8	0	0	0	0	108.2	L159 I255 T259 A269 V271 T400	L159-V257 HydrophobicContact CD1-CG2 4.21Å; I255-V257 HydrophobicContact CD1-CG2 4.22Å; I255-V257 HydrophobicContact CG1-CG2 4.39Å; V257-T259 PolarHBondContact O-N 2.92Å; V257-A269 PolarHBondContact N-O 3.15Å; V257-A269 VanDerWaalsContact N-O 3.1Å; V257-A269 WeakPolarHBondContact O-CB 3.3Å; V257-A269 PolarHBondContact O-N 3.31Å; V257-V271 HydrophobicContact CG2-CG2 4.24Å; V257-T400 HydrophobicContact CB-CG2 3.7Å; V257-T400 HydrophobicContact CG1-CG2 3.8Å; V257-T400 HydrophobicContact CG2-CG2 4.43Å
258	Y	86.9	Confident	78.8	Confident	9 Å²	9	46.4 Å²	46.4	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.2	178.3	-68.9	-94.7	0	0	0	110.8	L159 I160 C172 L176 P266 K267 A268	L159-Y258 VanDerWaalsContact O-CD2 3.32Å; L159-Y258 WeakPolarHBondContact O-CD2 3.46Å; I160-Y258 HydrophobicContact CG1-CE2 4.23Å; C172-Y258 HydrophobicContact CB-CD1 4.17Å; C172-Y258 HydrophobicContact CB-CE1 3.65Å; C172-Y258 HydrophobicContact CB-CE2 4.39Å; C172-Y258 PolarHBondContact O-OH 3.2Å; L176-Y258 HydrophobicContact CD1-CE2 4.12Å; L176-Y258 WeakPolarHBondContact CD1-OH 3.48Å; L176-Y258 WeakPolarHBondContact CG-OH 3.39Å; Y258-P266 HydrophobicContact CD1-CB 4.08Å; Y258-K267 WeakPolarHBondContact CA-O 3.16Å; Y258-A268 HydrophobicContact CD1-CB 4.15Å; Y258-A268 HydrophobicContact CE1-CB 3.88Å
259	T	75.7	Confident	79.1	Confident	22 Å²	22	44 Å²	44	14%	0.135	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.2	172.8	61.7	0	0	0	0	109.5	V257 G261 P266 K267 A269 Y477	V257-T259 PolarHBondContact O-N 2.92Å; T259-G261 PolarHBondContact O-N 3.39Å; T259-P266 VanDerWaalsContact O-CA 3.27Å; T259-P266 WeakPolarHBondContact O-CA 3.21Å; T259-K267 PolarHBondContact N-O 2.8Å; T259-K267 PolarHBondContact O-N 3.27Å; T259-K267 PolarHBondContact OG1-O 3.02Å; T259-A269 HydrophobicContact CG2-CB 4.09Å; T259-Y477 HydrophobicContact CG2-CE1 4.28Å; T259-Y477 WeakPolarHBondContact OG1-CE1 3.29Å
260	S	64.1	Low	79.6	Confident	81 Å²	81	44.6 Å²	44.6	57%	0.566	25%	0.253	S	S	*	.			trans	-71.6	109.5	169.9	-60.5	0	0	0	0	108.6
261	G	51.6	Low	80.1	Confident	28 Å²	28	42.8 Å²	42.8	29%	0.289	24%	0.24	S	C	.	.			trans	-65.7	143.1	168.4	0	0	0	0	0	110.2	T259 T263	T259-G261 PolarHBondContact O-N 3.39Å; G261-T263 VanDerWaalsContact C-N 3.27Å; G261-T263 PolarHBondContact O-N 3.08Å
262	T	46.1	Very low	80.7	Confident	70 Å²	70	33.2 Å²	33.2	43%	0.429	21%	0.205	S	C	.	.	S	Bend	trans	-69.7	-25.4	175.4	45.8	0	0	0	0	112.8
263	T	46.1	Very low	80.8	Confident	136 Å²	136	32.8 Å²	32.8	83%	0.834	20%	0.202	S	C	*	.	S	Bend	trans	-127.6	13	-171.2	55.5	0	0	0	0	114.1	G261	G261-T263 VanDerWaalsContact C-N 3.27Å; G261-T263 PolarHBondContact O-N 3.08Å
264	G	54.2	Low	80.7	Confident	52 Å²	52	29.9 Å²	29.9	54%	0.536	19%	0.189	S	C	.	.	S	Bend	trans	-174.7	-168.3	-176.3	0	0	0	0	0	115.7
265	L	68.4	Low	80.5	Confident	91 Å²	91	30.3 Å²	30.3	48%	0.476	19%	0.191	S	C	.	.	S	Bend	trans	-60.9	150.7	-178.4	-64.7	167	0	0	0	111.9	N171	N171-L265 HydrophobicContact CB-CD1 4.2Å; N171-L265 HydrophobicContact CB-CD2 4.37Å
266	P	72.6	Confident	80.4	Confident	18 Å²	18	30.2 Å²	30.2	12%	0.117	19%	0.19	C	C	.	.			trans	-57.7	138.9	179.5	-23.8	33.5	0	0	0	112.7	L164 Y258 T259	L164-P266 HydrophobicContact CD2-CG 4.5Å; Y258-P266 HydrophobicContact CD1-CB 4.08Å; T259-P266 VanDerWaalsContact O-CA 3.27Å; T259-P266 WeakPolarHBondContact O-CA 3.21Å
267	K	83.5	Confident	80.3	Confident	65 Å²	65	29.8 Å²	29.8	28%	0.283	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.9	-178.7	-61.8	174.3	180	178.1	0	110.6	Y258 T259 A269 Y477 A482	Y258-K267 WeakPolarHBondContact CA-O 3.16Å; T259-K267 PolarHBondContact N-O 2.8Å; T259-K267 PolarHBondContact O-N 3.27Å; T259-K267 PolarHBondContact OG1-O 3.02Å; K267-A269 PolarHBondContact O-N 3.34Å; K267-Y477 HydrophobicContact CB-CD1 3.77Å; K267-Y477 HydrophobicContact CB-CE1 4.03Å; K267-Y477 HydrophobicContact CB-CG 4.26Å; K267-Y477 HydrophobicContact CD-CE2 4.45Å; K267-A482 HydrophobicContact CD-CB 3.8Å
268	A	91.6	Very high	80.3	Confident	2 Å²	2	30.8 Å²	30.8	2%	0.017	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.2	177.4	0	0	0	0	0	110.8	T175 L176 Y258 Y477 V478	T175-A268 HydrophobicContact CG2-CB 4.24Å; L176-A268 HydrophobicContact CD2-CB 3.84Å; L176-A268 HydrophobicContact CG-CB 4.34Å; Y258-A268 HydrophobicContact CD1-CB 4.15Å; Y258-A268 HydrophobicContact CE1-CB 3.88Å; A268-Y477 VanDerWaalsContact O-CA 3.31Å; A268-Y477 WeakPolarHBondContact O-CA 3.35Å; A268-V478 HydrophobicContact CB-CG2 4.13Å; A268-V478 PolarHBondContact O-N 3.27Å
269	A	93.6	Very high	80.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.6	172.6	0	0	0	0	0	110.2	Y256 V257 T259 K267 T400 E401 Y477	Y256-A269 WeakPolarHBondContact CA-O 3.28Å; V257-A269 PolarHBondContact N-O 3.15Å; V257-A269 VanDerWaalsContact N-O 3.1Å; V257-A269 WeakPolarHBondContact O-CB 3.3Å; V257-A269 PolarHBondContact O-N 3.31Å; T259-A269 HydrophobicContact CG2-CB 4.09Å; K267-A269 PolarHBondContact O-N 3.34Å; A269-T400 HydrophobicContact CB-CG2 3.56Å; A269-E401 HydrophobicContact CB-CB 4.21Å; A269-Y477 HydrophobicContact CB-CD1 3.94Å; A269-Y477 HydrophobicContact CB-CE1 4.08Å
270	I	95.6	Very high	81.8	Confident	19 Å²	19	30.2 Å²	30.2	10%	0.097	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.1	-179	-56.4	177.3	0	0	0	108.8	Y256 T272 D475 G476 V478	Y256-I270 HydrophobicContact CD1-CG1 4.24Å; Y256-I270 HydrophobicContact CE1-CG1 4.02Å; I270-T272 HydrophobicContact CG2-CG2 4.21Å; I270-D475 HydrophobicContact CB-CB 4.23Å; I270-D475 HydrophobicContact CG2-CB 4.36Å; I270-G476 PolarHBondContact N-O 3.25Å; I270-V478 HydrophobicContact CD1-CG2 4.36Å; I270-V478 HydrophobicContact CG1-CG2 3.99Å
271	V	96.3	Very high	83.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.5	171.4	-177.3	0	0	0	0	108.9	L254 I255 V257 R275 Y276 I308 T400	L254-V271 WeakPolarHBondContact CB-O 3.34Å; L254-V271 PolarHBondContact N-O 2.88Å; I255-V271 HydrophobicContact CD1-CG1 4.45Å; I255-V271 HydrophobicContact CG1-CB 3.73Å; I255-V271 HydrophobicContact CG1-CG1 4.02Å; I255-V271 HydrophobicContact CG1-CG2 4.31Å; I255-V271 PolarHBondContact N-O 2.74Å; I255-V271 WeakPolarHBondContact O-CB 3.47Å; I255-V271 PolarHBondContact O-N 2.92Å; V257-V271 HydrophobicContact CG2-CG2 4.24Å; V271-R275 HydrophobicContact CG1-CB 4.42Å; V271-R275 HydrophobicContact CG1-CG 4.46Å; V271-Y276 HydrophobicContact CG1-CD2 4.34Å; V271-I308 HydrophobicContact CG1-CD1 4.01Å; V271-I308 HydrophobicContact CG2-CD1 4.26Å; V271-T400 HydrophobicContact CG2-CG2 4.09Å
272	T	94.7	Very high	85.4	Confident	1 Å²	1	26 Å²	26	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	164.3	174.9	63.2	0	0	0	0	111.4	S250 E252 I270 L274 R275 Y276	S250-T272 WeakPolarHBondContact O-CG2 3.45Å; E252-T272 CarbonylContact O-C 3.59Å; E252-T272 WeakPolarHBondContact O-CA 3.32Å; E252-T272 WeakPolarHBondContact O-CB 3.42Å; I270-T272 HydrophobicContact CG2-CG2 4.21Å; T272-L274 PolarHBondContact O-N 3.13Å; T272-R275 PolarHBondContact O-N 2.98Å; T272-R275 VanDerWaalsContact O-N 3.13Å; T272-R275 WeakPolarHBondContact OG1-CB 3.44Å; T272-R275 PolarHBondContact OG1-N 2.85Å; T272-R275 VanDerWaalsContact OG1-N 3.15Å; T272-Y276 WeakPolarHBondContact O-CB 3.39Å; T272-Y276 PolarHBondContact O-N 2.92Å
273	N	93.8	Very high	87.8	Confident	5 Å²	5	23.1 Å²	23.1	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-53.3	-41.5	171.7	-84.4	-25.8	0	0	0	112.4	N249 E252 L254 T277	N249-N273 HydrophobicContact CB-CB 4.35Å; E252-N273 VanDerWaalsContact CG-ND2 3.26Å; E252-N273 WeakPolarHBondContact CG-ND2 3.36Å; E252-N273 PolarHBondContact O-N 3.27Å; L254-N273 VanDerWaalsContact CD1-OD1 3.3Å; L254-N273 WeakPolarHBondContact CD1-OD1 3.11Å; L254-N273 WeakPolarHBondContact CD2-OD1 3.3Å; N273-T277 WeakPolarHBondContact O-CB 3.3Å; N273-T277 PolarHBondContact O-N 3.03Å; N273-T277 VanDerWaalsContact O-N 3.08Å; N273-T277 PolarHBondContact O-OG1 2.8Å
274	L	92.8	Very high	90.2	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-47.7	177.3	179.3	63.2	0	0	0	111.4	I71 L74 Q75 N249 T272 T277 L278 P470	I71-L274 HydrophobicContact CD1-CD1 3.84Å; I71-L274 HydrophobicContact CG2-CD1 3.69Å; L74-L274 HydrophobicContact CD2-CD1 4.29Å; Q75-L274 HydrophobicContact CG-CD1 4.41Å; N249-L274 HydrophobicContact CB-CB 4.16Å; N249-L274 PolarHBondContact O-N 3.45Å; T272-L274 PolarHBondContact O-N 3.13Å; L274-T277 PolarHBondContact O-N 2.58Å; L274-L278 WeakPolarHBondContact O-CB 3.45Å; L274-L278 PolarHBondContact O-N 2.84Å; L274-P470 HydrophobicContact CD1-CB 4.15Å; L274-P470 HydrophobicContact CD1-CG 4.36Å; L274-P470 HydrophobicContact CD2-CB 3.93Å; L274-P470 HydrophobicContact CD2-CG 4.08Å; L274-P470 HydrophobicContact CG-CB 4.28Å
275	R	93.7	Very high	92.2	Very high	11 Å²	11	18.6 Å²	18.6	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-67.5	-42.7	-178.1	-175	169	-178.2	74.9	16.6	112.5	V271 T272 T277 L278 M279 A399 T400 S402 D475	V271-R275 HydrophobicContact CG1-CB 4.42Å; V271-R275 HydrophobicContact CG1-CG 4.46Å; T272-R275 PolarHBondContact O-N 2.98Å; T272-R275 VanDerWaalsContact O-N 3.13Å; T272-R275 WeakPolarHBondContact OG1-CB 3.44Å; T272-R275 PolarHBondContact OG1-N 2.85Å; T272-R275 VanDerWaalsContact OG1-N 3.15Å; R275-T277 VanDerWaalsContact C-N 3.32Å; R275-T277 PolarHBondContact O-N 3.45Å; R275-L278 WeakPolarHBondContact O-CB 3.44Å; R275-L278 PolarHBondContact O-N 2.88Å; R275-M279 HydrophobicContact CG-CE 3.7Å; R275-M279 VanDerWaalsContact NH2-CE 3.29Å; R275-M279 WeakPolarHBondContact O-CG 3.22Å; R275-M279 PolarHBondContact O-N 3.03Å; R275-M279 VanDerWaalsContact O-N 3.1Å; R275-A399 PolarHBondContact NH2-O 3.19Å; R275-T400 PolarHBondContact NE-O 3.22Å; R275-T400 VanDerWaalsContact NH2-C 3.31Å; R275-T400 PolarHBondContact NH2-O 2.84Å; R275-S402 PolarHBondContact NH1-O 3.42Å; R275-S402 VanDerWaalsContact NH1-O 3.17Å; R275-S402 PolarHBondContact NH2-O 2.87Å; R275-D475 VanDerWaalsContact CD-OD2 3.32Å; R275-D475 WeakPolarHBondContact CD-OD2 3.16Å
276	Y	95.7	Very high	93.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.9	-50.4	172.7	-171.1	-77.9	0	0	0	110.3	F81 W147 L254 I255 V271 T272 L278 M279 V280 G307 I308 G312 L316	F81-Y276 AromaticContact CE2-CD1 3.53Å; F81-Y276 HydrophobicContact CE2-CD1 3.53Å; F81-Y276 AromaticContact CE2-CE1 3.68Å; F81-Y276 HydrophobicContact CE2-CE1 3.68Å; F81-Y276 HydrophobicContact CE2-CG 4.11Å; F81-Y276 AromaticContact CZ-CD1 3.94Å; F81-Y276 HydrophobicContact CZ-CD1 3.94Å; F81-Y276 AromaticContact CZ-CE1 3.57Å; F81-Y276 HydrophobicContact CZ-CE1 3.57Å; W147-Y276 AromaticContact CH2-CE2 3.76Å; W147-Y276 HydrophobicContact CH2-CE2 3.76Å; W147-Y276 AromaticContact CH2-CZ 3.78Å; W147-Y276 HydrophobicContact CZ2-CE2 4.12Å; L254-Y276 HydrophobicContact CD2-CD1 4.32Å; L254-Y276 HydrophobicContact CD2-CD2 3.65Å; L254-Y276 HydrophobicContact CD2-CE2 4.36Å; L254-Y276 HydrophobicContact CD2-CG 3.63Å; I255-Y276 HydrophobicContact CD1-CD2 3.88Å; I255-Y276 HydrophobicContact CD1-CE2 3.96Å; V271-Y276 HydrophobicContact CG1-CD2 4.34Å; T272-Y276 WeakPolarHBondContact O-CB 3.39Å; T272-Y276 PolarHBondContact O-N 2.92Å; Y276-L278 VanDerWaalsContact C-N 3.35Å; Y276-L278 PolarHBondContact O-N 2.85Å; Y276-M279 PolarHBondContact O-N 3.41Å; Y276-V280 HydrophobicContact CD1-CG2 3.85Å; Y276-V280 HydrophobicContact CE1-CG2 3.6Å; Y276-V280 VanDerWaalsContact O-CG2 3.32Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.04Å; Y276-V280 VanDerWaalsContact O-N 3.12Å; Y276-G307 PolarHBondContact OH-O 3.47Å; Y276-I308 HydrophobicContact CD1-CG2 4.28Å; Y276-I308 HydrophobicContact CD2-CB 4.29Å; Y276-I308 HydrophobicContact CD2-CD1 4.05Å; Y276-I308 HydrophobicContact CD2-CG1 3.86Å; Y276-I308 HydrophobicContact CD2-CG2 3.75Å; Y276-I308 HydrophobicContact CE1-CG2 4.32Å; Y276-I308 HydrophobicContact CE2-CB 3.99Å; Y276-I308 HydrophobicContact CE2-CD1 4.34Å; Y276-I308 HydrophobicContact CE2-CG1 3.65Å; Y276-I308 HydrophobicContact CE2-CG2 3.79Å; Y276-I308 HydrophobicContact CG-CG2 3.99Å; Y276-G312 VanDerWaalsContact OH-CA 3.22Å; Y276-G312 WeakPolarHBondContact OH-CA 3.36Å; Y276-G312 PolarHBondContact OH-N 3.29Å; Y276-L316 HydrophobicContact CD1-CD1 4.17Å; Y276-L316 HydrophobicContact CE1-CD1 4.3Å
277	T	95.4	Very high	94.7	Very high	8 Å²	8	14.4 Å²	14.4	5%	0.049	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-45.9	179.3	-56.6	0	0	0	0	111.2	I71 L74 N273 L274 R275 M279 V280 V281 L316	I71-T277 HydrophobicContact CD1-CG2 4.25Å; L74-T277 HydrophobicContact CD2-CG2 4.02Å; N273-T277 WeakPolarHBondContact O-CB 3.3Å; N273-T277 PolarHBondContact O-N 3.03Å; N273-T277 VanDerWaalsContact O-N 3.08Å; N273-T277 PolarHBondContact O-OG1 2.8Å; L274-T277 PolarHBondContact O-N 2.58Å; R275-T277 VanDerWaalsContact C-N 3.32Å; R275-T277 PolarHBondContact O-N 3.45Å; T277-M279 PolarHBondContact O-N 2.77Å; T277-V280 PolarHBondContact O-N 3.23Å; T277-V281 HydrophobicContact CG2-CG1 4.17Å; T277-V281 VanDerWaalsContact O-CG2 3.24Å; T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 2.84Å; T277-L316 HydrophobicContact CG2-CD1 4.16Å
278	L	94.7	Very high	95.3	Very high	21 Å²	21	13.2 Å²	13.2	11%	0.11	8%	0.079	C	C	.	.	H	α-helix	trans	-55.4	-46.8	178.9	-173.2	72.7	0	0	0	112.3	V67 I71 L274 R275 Y276 G282 F471	V67-L278 HydrophobicContact CG1-CD1 3.63Å; I71-L278 HydrophobicContact CD1-CB 4.07Å; I71-L278 HydrophobicContact CD1-CD1 3.95Å; I71-L278 HydrophobicContact CG1-CD1 3.92Å; L274-L278 WeakPolarHBondContact O-CB 3.45Å; L274-L278 PolarHBondContact O-N 2.84Å; R275-L278 WeakPolarHBondContact O-CB 3.44Å; R275-L278 PolarHBondContact O-N 2.88Å; Y276-L278 VanDerWaalsContact C-N 3.35Å; Y276-L278 PolarHBondContact O-N 2.85Å; L278-G282 WeakPolarHBondContact O-CA 3.22Å; L278-G282 PolarHBondContact O-N 3.01Å; L278-F471 HydrophobicContact CD1-CD1 3.92Å; L278-F471 HydrophobicContact CD1-CE1 3.81Å; L278-F471 HydrophobicContact CD1-CE2 4.37Å; L278-F471 HydrophobicContact CD1-CG 4.32Å; L278-F471 HydrophobicContact CD1-CZ 4.09Å
279	M	95.3	Very high	95.6	Very high	20 Å²	20	13.4 Å²	13.4	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-42.2	178.5	-67.9	173.8	-174.8	0	0	111.9	R275 Y276 T277 T283 T304 I308	R275-M279 HydrophobicContact CG-CE 3.7Å; R275-M279 VanDerWaalsContact NH2-CE 3.29Å; R275-M279 WeakPolarHBondContact O-CG 3.22Å; R275-M279 PolarHBondContact O-N 3.03Å; R275-M279 VanDerWaalsContact O-N 3.1Å; Y276-M279 PolarHBondContact O-N 3.41Å; T277-M279 PolarHBondContact O-N 2.77Å; M279-T283 WeakPolarHBondContact O-CB 3.34Å; M279-T283 PolarHBondContact O-N 3.28Å; M279-T283 PolarHBondContact O-OG1 3.41Å; M279-T304 HydrophobicContact SD-CG2 3.73Å; M279-I308 HydrophobicContact CB-CG2 3.83Å; M279-I308 HydrophobicContact SD-CD1 4.02Å; M279-I308 HydrophobicContact SD-CG2 4.08Å
280	V	97	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-52	179.5	173.1	0	0	0	0	111.4	Y276 T277 G282 T283 K284 I308 G312 Q313 L316	Y276-V280 HydrophobicContact CD1-CG2 3.85Å; Y276-V280 HydrophobicContact CE1-CG2 3.6Å; Y276-V280 VanDerWaalsContact O-CG2 3.32Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.04Å; Y276-V280 VanDerWaalsContact O-N 3.12Å; T277-V280 PolarHBondContact O-N 3.23Å; V280-G282 VanDerWaalsContact C-N 3.34Å; V280-T283 PolarHBondContact O-N 3.32Å; V280-K284 PolarHBondContact O-N 2.87Å; V280-I308 HydrophobicContact CG2-CG2 3.96Å; V280-I308 WeakPolarHBondContact CG2-O 3.37Å; V280-G312 WeakPolarHBondContact CG1-O 3.33Å; V280-Q313 PolarHBondContact O-NE2 2.97Å; V280-L316 HydrophobicContact CB-CD1 4.02Å; V280-L316 HydrophobicContact CG1-CB 4.12Å; V280-L316 HydrophobicContact CG1-CD1 3.97Å; V280-L316 HydrophobicContact CG1-CG 4.34Å; V280-L316 HydrophobicContact CG2-CD1 4.18Å
281	V	96.1	Very high	95.8	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-70.4	-33.8	-178.7	-60.7	0	0	0	0	111.4	V67 N70 T277 K284 Y285	V67-V281 HydrophobicContact CB-CG2 4.23Å; V67-V281 HydrophobicContact CG1-CG2 3.69Å; V67-V281 HydrophobicContact CG2-CG2 4.08Å; N70-V281 HydrophobicContact CB-CG1 4.14Å; N70-V281 HydrophobicContact CB-CG2 4.45Å; T277-V281 HydrophobicContact CG2-CG1 4.17Å; T277-V281 VanDerWaalsContact O-CG2 3.24Å; T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 2.84Å; V281-K284 PolarHBondContact O-N 3.41Å; V281-Y285 HydrophobicContact CB-CD2 4.18Å; V281-Y285 HydrophobicContact CB-CE2 4.05Å; V281-Y285 WeakPolarHBondContact O-CD2 3.31Å; V281-Y285 PolarHBondContact O-N 2.78Å
282	G	95.6	Very high	95.8	Very high	18 Å²	18	26.4 Å²	26.4	19%	0.186	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-52.9	173.4	0	0	0	0	0	111	L278 V280 K284 Y285 S286	L278-G282 WeakPolarHBondContact O-CA 3.22Å; L278-G282 PolarHBondContact O-N 3.01Å; V280-G282 VanDerWaalsContact C-N 3.34Å; G282-K284 VanDerWaalsContact C-N 3.33Å; G282-K284 PolarHBondContact O-N 2.59Å; G282-Y285 PolarHBondContact O-N 3.12Å; G282-S286 VanDerWaalsContact O-CB 3.22Å; G282-S286 WeakPolarHBondContact O-CB 3.46Å; G282-S286 PolarHBondContact O-N 2.67Å; G282-S286 PolarHBondContact O-OG 2.7Å
283	T	96.4	Very high	96	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-43.5	176.9	-56.1	0	0	0	0	111.8	M279 V280 Y285 F287 I289 C309 F372	M279-T283 WeakPolarHBondContact O-CB 3.34Å; M279-T283 PolarHBondContact O-N 3.28Å; M279-T283 PolarHBondContact O-OG1 3.41Å; V280-T283 PolarHBondContact O-N 3.32Å; T283-Y285 PolarHBondContact O-N 2.95Å; T283-F287 HydrophobicContact CG2-CD2 3.84Å; T283-F287 HydrophobicContact CG2-CE2 4.09Å; T283-F287 VanDerWaalsContact O-CD2 3.3Å; T283-F287 WeakPolarHBondContact O-CD2 3.29Å; T283-F287 PolarHBondContact O-N 3.22Å; T283-I289 HydrophobicContact CG2-CD1 4.05Å; T283-C309 HydrophobicContact CG2-CB 4.37Å; T283-F372 HydrophobicContact CG2-CD2 3.59Å; T283-F372 HydrophobicContact CG2-CE2 3.33Å; T283-F372 HydrophobicContact CG2-CG 4.46Å; T283-F372 HydrophobicContact CG2-CZ 4.01Å
284	K	97.6	Very high	96.2	Very high	37 Å²	37	27.8 Å²	27.8	16%	0.161	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-52.5	178.8	171.5	176	178.1	162.1	0	112.5	V280 V281 G282 G288 I289 N317	V280-K284 PolarHBondContact O-N 2.87Å; V281-K284 PolarHBondContact O-N 3.41Å; G282-K284 VanDerWaalsContact C-N 3.33Å; G282-K284 PolarHBondContact O-N 2.59Å; K284-G288 WeakPolarHBondContact O-CA 3.16Å; K284-G288 PolarHBondContact O-N 2.9Å; K284-I289 HydrophobicContact CG-CB 4.38Å; K284-I289 PolarHBondContact O-N 2.94Å; K284-N317 HydrophobicContact CD-CB 4.42Å; K284-N317 WeakPolarHBondContact CD-ND2 3.39Å; K284-N317 WeakPolarHBondContact CD-OD1 3.46Å; K284-N317 PolarHBondContact NZ-OD1 2.86Å
285	Y	96.9	Very high	96.5	Very high	56 Å²	56	27.5 Å²	27.5	22%	0.22	15%	0.154	C	C	.	.	H	α-helix	trans	-80	-30.9	-172.8	-67.4	-62.9	0	0	0	112.2	C63 M66 V67 N70 V281 G282 T283 F287	C63-Y285 VanDerWaalsContact SG-C 3.59Å; C63-Y285 VanDerWaalsContact SG-CB 3.57Å; M66-Y285 HydrophobicContact CB-CD1 3.79Å; M66-Y285 HydrophobicContact CB-CD2 3.86Å; M66-Y285 HydrophobicContact CB-CE1 3.8Å; M66-Y285 HydrophobicContact CB-CE2 3.87Å; M66-Y285 HydrophobicContact CB-CG 3.85Å; M66-Y285 HydrophobicContact CE-CE1 3.73Å; M66-Y285 HydrophobicContact CG-CD1 4.24Å; M66-Y285 HydrophobicContact CG-CE1 4.19Å; V67-Y285 HydrophobicContact CG2-CD2 3.79Å; N70-Y285 PolarHBondContact ND2-OH 3.39Å; N70-Y285 VanDerWaalsContact ND2-OH 3.1Å; V281-Y285 HydrophobicContact CB-CD2 4.18Å; V281-Y285 HydrophobicContact CB-CE2 4.05Å; V281-Y285 WeakPolarHBondContact O-CD2 3.31Å; V281-Y285 PolarHBondContact O-N 2.78Å; G282-Y285 PolarHBondContact O-N 3.12Å; T283-Y285 PolarHBondContact O-N 2.95Å; Y285-F287 VanDerWaalsContact C-N 3.33Å; Y285-F287 PolarHBondContact O-N 3.01Å
286	S	96.4	Very high	96.7	Very high	17 Å²	17	27 Å²	27	12%	0.119	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-39.7	174.3	-65.8	0	0	0	0	112.4	C63 G282 M409	C63-S286 PolarHBondContact SG-N 3.3Å; G282-S286 VanDerWaalsContact O-CB 3.22Å; G282-S286 WeakPolarHBondContact O-CB 3.46Å; G282-S286 PolarHBondContact O-N 2.67Å; G282-S286 PolarHBondContact O-OG 2.7Å; S286-M409 WeakPolarHBondContact O-CG 3.45Å
287	F	96.4	Very high	96.8	Very high	4 Å²	4	27 Å²	27	2%	0.018	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	7	-174.4	-51.4	-52.1	0	0	0	113.6	T283 Y285 I289 I370 F372 G394 F396 A407	T283-F287 HydrophobicContact CG2-CD2 3.84Å; T283-F287 HydrophobicContact CG2-CE2 4.09Å; T283-F287 VanDerWaalsContact O-CD2 3.3Å; T283-F287 WeakPolarHBondContact O-CD2 3.29Å; T283-F287 PolarHBondContact O-N 3.22Å; Y285-F287 VanDerWaalsContact C-N 3.33Å; Y285-F287 PolarHBondContact O-N 3.01Å; F287-I289 VanDerWaalsContact C-N 3.35Å; F287-I289 HydrophobicContact CB-CG1 4.49Å; F287-I289 PolarHBondContact O-N 2.85Å; F287-I370 HydrophobicContact CB-CG2 4.46Å; F287-I370 WeakPolarHBondContact O-CD1 3.3Å; F287-F372 HydrophobicContact CD2-CB 3.68Å; F287-F372 HydrophobicContact CD2-CD2 4.01Å; F287-F372 AromaticContact CD2-CG 3.98Å; F287-F372 HydrophobicContact CD2-CG 3.98Å; F287-F372 HydrophobicContact CE2-CB 3.88Å; F287-F372 HydrophobicContact CE2-CD2 4.02Å; F287-F372 HydrophobicContact CE2-CG 4.28Å; F287-F372 HydrophobicContact CG-CB 4.1Å; F287-F372 HydrophobicContact CZ-CB 4.46Å; F287-G394 VanDerWaalsContact CD1-CA 3.47Å; F287-G394 VanDerWaalsContact CE1-C 3.44Å; F287-G394 WeakPolarHBondContact CZ-O 3.09Å; F287-F396 AromaticContact CE2-CD1 3.74Å; F287-F396 HydrophobicContact CE2-CD1 3.74Å; F287-F396 HydrophobicContact CZ-CB 4.01Å; F287-F396 AromaticContact CZ-CD1 3.88Å; F287-F396 HydrophobicContact CZ-CD1 3.88Å; F287-F396 HydrophobicContact CZ-CG 4.42Å; F287-A407 HydrophobicContact CE1-CB 4.45Å; F287-A407 HydrophobicContact CZ-CB 4.28Å
288	G	95.6	Very high	96.8	Very high	39 Å²	39	26.7 Å²	26.7	40%	0.402	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	45.7	178.9	0	0	0	0	0	113.1	K284 K290 R369	K284-G288 WeakPolarHBondContact O-CA 3.16Å; K284-G288 PolarHBondContact O-N 2.9Å; G288-K290 PolarHBondContact O-N 2.96Å; G288-R369 PolarHBondContact O-NH2 2.92Å
289	I	97.8	Very high	96.8	Very high	7 Å²	7	26 Å²	26	4%	0.036	15%	0.147	C	C	.	.			trans	-67.2	118.4	173.6	-58.7	178.4	0	0	0	108.3	T283 K284 F287 I295 Q313 F372	T283-I289 HydrophobicContact CG2-CD1 4.05Å; K284-I289 HydrophobicContact CG-CB 4.38Å; K284-I289 PolarHBondContact O-N 2.94Å; F287-I289 VanDerWaalsContact C-N 3.35Å; F287-I289 HydrophobicContact CB-CG1 4.49Å; F287-I289 PolarHBondContact O-N 2.85Å; I289-I295 HydrophobicContact CG2-CD1 4.09Å; I289-Q313 HydrophobicContact CD1-CG 4.2Å; I289-F372 HydrophobicContact CD1-CE1 4.18Å; I289-F372 HydrophobicContact CD1-CZ 4.41Å
290	K	97	Very high	96.6	Very high	124 Å²	124	26.1 Å²	26.1	54%	0.539	15%	0.149	S	C	.	.			trans	-90.7	152.3	-179.4	-58.4	177	-176.6	179.5	0	109	G288 S292 D293 N319	G288-K290 PolarHBondContact O-N 2.96Å; K290-S292 PolarHBondContact O-N 3.45Å; K290-S292 VanDerWaalsContact O-N 3.16Å; K290-D293 WeakPolarHBondContact CA-OD2 3.21Å; K290-D293 WeakPolarHBondContact CB-OD2 3.4Å; K290-D293 PolarHBondContact N-OD2 3.36Å; K290-D293 WeakPolarHBondContact O-CB 3.35Å; K290-D293 PolarHBondContact O-N 3.36Å; K290-N319 PolarHBondContact O-ND2 3.19Å
291	Q	95.5	Very high	96.6	Very high	72 Å²	72	26.2 Å²	26.2	34%	0.336	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.3	177.3	-174	173	65.7	0	0	113.5	R92 D293 N317	R92-Q291 PolarHBondContact NH2-O 2.95Å; Q291-D293 VanDerWaalsContact C-N 3.33Å; Q291-N317 PolarHBondContact NE2-O 2.81Å
292	S	97	Very high	96.5	Very high	95 Å²	95	26.4 Å²	26.4	66%	0.664	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.9	175.2	59	0	0	0	0	113.7	K290	K290-S292 PolarHBondContact O-N 3.45Å; K290-S292 VanDerWaalsContact O-N 3.16Å
293	D	98.4	Very high	96.3	Very high	5 Å²	5	27 Å²	27	3%	0.027	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-71.7	141.1	-177.3	-69.9	-53.1	0	0	0	111.8	K290 Q291 N319 T342 V343 R369	K290-D293 WeakPolarHBondContact CA-OD2 3.21Å; K290-D293 WeakPolarHBondContact CB-OD2 3.4Å; K290-D293 PolarHBondContact N-OD2 3.36Å; K290-D293 WeakPolarHBondContact O-CB 3.35Å; K290-D293 PolarHBondContact O-N 3.36Å; Q291-D293 VanDerWaalsContact C-N 3.33Å; D293-N319 PolarHBondContact O-ND2 2.9Å; D293-N319 VanDerWaalsContact O-ND2 3.09Å; D293-T342 VanDerWaalsContact CA-OG1 3.24Å; D293-T342 WeakPolarHBondContact CA-OG1 3.45Å; D293-T342 VanDerWaalsContact CB-OG1 3.3Å; D293-T342 WeakPolarHBondContact CB-OG1 3.15Å; D293-T342 WeakPolarHBondContact OD1-CB 3.24Å; D293-T342 PolarHBondContact OD1-OG1 2.92Å; D293-V343 HydrophobicContact CB-CG2 3.79Å; D293-R369 IonicContact OD1-CZ 2.9Å; D293-R369 IonicContact OD1-NE 2.69Å; D293-R369 PolarHBondContact OD1-NE 3.28Å; D293-R369 VanDerWaalsContact OD1-NE 3.08Å; D293-R369 IonicContact OD1-NH2 3.67Å; D293-R369 PolarHBondContact OD1-NH2 3.41Å; D293-R369 IonicContact OD2-CZ 2.99Å; D293-R369 IonicContact OD2-NE 3.22Å; D293-R369 IonicContact OD2-NH2 3.81Å; D293-R369 PolarHBondContact OD2-NH2 3.07Å
294	I	98.7	Very high	96.1	Very high	31 Å²	31	27.7 Å²	27.7	16%	0.159	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119	166.5	-58.1	178.2	0	0	0	106.9	T320 V322 Y339 C341 T342 V343	I294-T320 WeakPolarHBondContact CA-O 3.43Å; I294-T320 HydrophobicContact CG2-CG2 4.39Å; I294-V322 HydrophobicContact CG2-CG2 3.61Å; I294-Y339 WeakPolarHBondContact CD1-O 3.34Å; I294-C341 WeakPolarHBondContact O-CA 3.31Å; I294-T342 PolarHBondContact N-OG1 3.2Å; I294-T342 PolarHBondContact O-N 3.32Å; I294-V343 PolarHBondContact O-N 3.26Å
295	I	98.8	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.1	-172.2	-54.2	168.8	0	0	0	109	I289 Q313 N319 T320 I321 V322 V343 F372	I289-I295 HydrophobicContact CG2-CD1 4.09Å; I295-Q313 HydrophobicContact CD1-CB 3.49Å; I295-Q313 VanDerWaalsContact CD1-CB 3.49Å; I295-Q313 HydrophobicContact CD1-CG 3.71Å; I295-N319 HydrophobicContact CD1-CB 3.94Å; I295-T320 PolarHBondContact N-O 3.32Å; I295-I321 HydrophobicContact CB-CG2 4.25Å; I295-I321 CarbonylContact O-C 3.43Å; I295-I321 VanDerWaalsContact O-CA 3.31Å; I295-I321 WeakPolarHBondContact O-CA 3.07Å; I295-V322 PolarHBondContact O-N 3Å; I295-V343 CarbonylContact C-O 3.38Å; I295-V343 WeakPolarHBondContact CA-O 3.3Å; I295-V343 HydrophobicContact CG1-CB 4.11Å; I295-V343 HydrophobicContact CG1-CG1 4.39Å; I295-V343 HydrophobicContact CG2-CG1 4.28Å; I295-F372 HydrophobicContact CG2-CE1 4.23Å
296	Y	98.7	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113.4	169.4	-170.6	-110.5	0	0	0	109.8	P298 V322 R324 F332 D335 V343 Q345	Y296-P298 HydrophobicContact CD1-CB 4.44Å; Y296-P298 HydrophobicContact CD1-CG 4.09Å; Y296-P298 HydrophobicContact CE1-CB 3.72Å; Y296-P298 HydrophobicContact CE1-CG 3.72Å; Y296-V322 HydrophobicContact CD2-CB 3.88Å; Y296-V322 HydrophobicContact CD2-CG1 3.68Å; Y296-V322 HydrophobicContact CE2-CG1 3.94Å; Y296-R324 VanDerWaalsContact OH-CD 3.24Å; Y296-R324 WeakPolarHBondContact OH-CD 3.19Å; Y296-F332 HydrophobicContact CD1-CD1 4.48Å; Y296-F332 HydrophobicContact CD1-CD2 4.01Å; Y296-F332 HydrophobicContact CD1-CE1 4.26Å; Y296-F332 AromaticContact CD1-CE2 3.78Å; Y296-F332 HydrophobicContact CD1-CE2 3.78Å; Y296-F332 HydrophobicContact CD1-CG 4.35Å; Y296-F332 AromaticContact CD1-CZ 3.92Å; Y296-F332 HydrophobicContact CD1-CZ 3.92Å; Y296-F332 HydrophobicContact CE1-CB 4.36Å; Y296-F332 HydrophobicContact CE1-CD1 4.3Å; Y296-F332 AromaticContact CE1-CD2 3.41Å; Y296-F332 HydrophobicContact CE1-CD2 3.41Å; Y296-F332 VanDerWaalsContact CE1-CD2 3.41Å; Y296-F332 HydrophobicContact CE1-CE1 4.48Å; Y296-F332 AromaticContact CE1-CE2 3.64Å; Y296-F332 HydrophobicContact CE1-CE2 3.64Å; Y296-F332 AromaticContact CE1-CG 3.77Å; Y296-F332 HydrophobicContact CE1-CG 3.77Å; Y296-F332 HydrophobicContact CE1-CZ 4.18Å; Y296-D335 HydrophobicContact CD2-CB 4.24Å; Y296-D335 HydrophobicContact CE2-CB 3.51Å; Y296-D335 PolarHBondContact OH-OD2 3.35Å; Y296-V343 PolarHBondContact N-O 3.36Å; Y296-Q345 PolarHBondContact O-N 3.21Å
297	D	98.2	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	90.7	179.9	177.8	13.2	0	0	0	110	L299 G306 V322 I323 Q345	D297-L299 PolarHBondContact O-N 3.34Å; D297-L299 VanDerWaalsContact OD1-CB 3.3Å; D297-L299 WeakPolarHBondContact OD1-CB 3.42Å; D297-L299 PolarHBondContact OD1-N 3.17Å; D297-L299 VanDerWaalsContact OD1-N 3.08Å; D297-G306 VanDerWaalsContact OD2-CA 3.29Å; D297-G306 WeakPolarHBondContact OD2-CA 3.47Å; D297-G306 VanDerWaalsContact OD2-O 3.1Å; D297-V322 PolarHBondContact N-O 3.48Å; D297-I323 HydrophobicContact CB-CG2 4.23Å; D297-I323 WeakPolarHBondContact O-CA 3.48Å; D297-Q345 PolarHBondContact OD1-OE1 2.97Å
298	P	95.7	Very high	95.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.013	14%	0.135	C	C	.	.			trans	-87.5	10.2	178.8	37.8	-37	0	0	0	112.7	Y296 F327 F332 I350	Y296-P298 HydrophobicContact CD1-CB 4.44Å; Y296-P298 HydrophobicContact CD1-CG 4.09Å; Y296-P298 HydrophobicContact CE1-CB 3.72Å; Y296-P298 HydrophobicContact CE1-CG 3.72Å; P298-F327 HydrophobicContact CB-CD2 4.09Å; P298-F327 HydrophobicContact CG-CD2 4.31Å; P298-F332 HydrophobicContact CG-CD2 4.24Å; P298-F332 HydrophobicContact CG-CE2 3.91Å; P298-I350 HydrophobicContact CG-CD1 4.21Å
299	L	93.9	Very high	95.8	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-85.7	154.6	-171.7	-56.4	-178.8	0	0	0	111.8	D297 L301 A305 Q345 I347 I350	D297-L299 PolarHBondContact O-N 3.34Å; D297-L299 VanDerWaalsContact OD1-CB 3.3Å; D297-L299 WeakPolarHBondContact OD1-CB 3.42Å; D297-L299 PolarHBondContact OD1-N 3.17Å; D297-L299 VanDerWaalsContact OD1-N 3.08Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-A305 HydrophobicContact CD1-CB 3.54Å; L299-Q345 HydrophobicContact CD1-CB 4.42Å; L299-Q345 HydrophobicContact CD1-CG 3.75Å; L299-I347 HydrophobicContact CD1-CG2 4.09Å; L299-I347 HydrophobicContact CD2-CD1 4.41Å; L299-I347 HydrophobicContact CD2-CG1 4.06Å; L299-I347 HydrophobicContact CD2-CG2 4.08Å; L299-I350 HydrophobicContact CD2-CD1 3.36Å
300	P	91.8	Very high	95.8	Very high	23 Å²	23	21.1 Å²	21.1	15%	0.149	12%	0.116	C	C	.	.			trans	-61.9	129.4	172.4	-19.6	31	0	0	0	111.7	Y302 H303	P300-Y302 HydrophobicContact CB-CD1 3.97Å; P300-Y302 HydrophobicContact CB-CD2 4.36Å; P300-Y302 HydrophobicContact CB-CE1 3.45Å; P300-Y302 VanDerWaalsContact CB-CE1 3.45Å; P300-Y302 HydrophobicContact CB-CE2 3.91Å; P300-Y302 HydrophobicContact CB-CG 4.39Å; P300-Y302 VanDerWaalsContact CB-CZ 3.41Å; P300-Y302 PolarHBondContact O-N 3.14Å; P300-H303 PolarHBondContact O-N 3.37Å
301	L	96.8	Very high	95.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-8.8	-173.2	-61.3	-174.3	0	0	0	114.4	S139 Y143 I144 L299 H303 G307 V311 I323	S139-L301 WeakPolarHBondContact OG-CG 3.45Å; S139-L301 PolarHBondContact OG-N 3.3Å; Y143-L301 HydrophobicContact CD1-CB 3.71Å; Y143-L301 HydrophobicContact CD1-CD1 4.09Å; Y143-L301 HydrophobicContact CE1-CB 3.65Å; Y143-L301 HydrophobicContact CG-CB 4.4Å; Y143-L301 HydrophobicContact CG-CD1 4.47Å; I144-L301 HydrophobicContact CD1-CD1 3.97Å; I144-L301 HydrophobicContact CG1-CD1 3.77Å; L299-L301 PolarHBondContact O-N 2.87Å; L301-H303 VanDerWaalsContact C-N 3.28Å; L301-G307 VanDerWaalsContact O-CA 3.3Å; L301-G307 WeakPolarHBondContact O-CA 3.38Å; L301-V311 HydrophobicContact CD1-CG2 4.34Å; L301-V311 HydrophobicContact CD2-CG2 3.55Å; L301-I323 HydrophobicContact CD1-CD1 4.21Å
302	Y	94.2	Very high	96	Very high	8 Å²	8	11.9 Å²	11.9	3%	0.031	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.5	171.8	52.7	-100.2	0	0	0	113.6	Y143 N161 T162 P300 S613	Y143-Y302 VanDerWaalsContact OH-CA 3.26Å; Y143-Y302 WeakPolarHBondContact OH-CA 3.44Å; Y143-Y302 VanDerWaalsContact OH-CB 3.29Å; Y143-Y302 WeakPolarHBondContact OH-CB 3.41Å; N161-Y302 HydrophobicContact CB-CD2 3.94Å; N161-Y302 HydrophobicContact CB-CE2 3.66Å; N161-Y302 VanDerWaalsContact CG-CE2 3.44Å; N161-Y302 PolarHBondContact OD1-OH 3.49Å; N161-Y302 VanDerWaalsContact OD1-OH 3.12Å; T162-Y302 HydrophobicContact CG2-CD1 4.05Å; T162-Y302 HydrophobicContact CG2-CE1 3.68Å; T162-Y302 VanDerWaalsContact OG1-CE1 3.31Å; T162-Y302 WeakPolarHBondContact OG1-CE1 3.46Å; T162-Y302 PolarHBondContact OG1-OH 3.16Å; P300-Y302 HydrophobicContact CB-CD1 3.97Å; P300-Y302 HydrophobicContact CB-CD2 4.36Å; P300-Y302 HydrophobicContact CB-CE1 3.45Å; P300-Y302 VanDerWaalsContact CB-CE1 3.45Å; P300-Y302 HydrophobicContact CB-CE2 3.91Å; P300-Y302 HydrophobicContact CB-CG 4.39Å; P300-Y302 VanDerWaalsContact CB-CZ 3.41Å; P300-Y302 PolarHBondContact O-N 3.14Å; Y302-S613 WeakPolarHBondContact OH-CB 3.35Å
303	H	89.9	Confident	96.1	Very high	30 Å²	30	7.3 Å²	7.3	14%	0.139	4%	0.043	C	C	.	.	S	Bend	trans	-100.9	151	175.4	-79.9	-55.5	0	0	0	111.8	P300 L301 A305 G306 G307 S613	P300-H303 PolarHBondContact O-N 3.37Å; L301-H303 VanDerWaalsContact C-N 3.28Å; H303-A305 PolarHBondContact O-N 3.16Å; H303-G306 PolarHBondContact O-N 3.31Å; H303-G307 PolarHBondContact O-N 3.14Å; H303-S613 PolarHBondContact NE2-OG 3.29Å
304	T	93.1	Very high	96.1	Very high	23 Å²	23	7.1 Å²	7.1	14%	0.141	4%	0.041	C	C	.	.	H	α-helix	trans	-51.3	-41.2	178.1	-60	0	0	0	0	113.2	M279 I308 C309 T400	M279-T304 HydrophobicContact SD-CG2 3.73Å; T304-I308 HydrophobicContact CG2-CB 4.35Å; T304-I308 HydrophobicContact CG2-CD1 4.08Å; T304-I308 HydrophobicContact CG2-CG1 4.48Å; T304-I308 WeakPolarHBondContact O-CA 3.44Å; T304-I308 VanDerWaalsContact O-CB 3.22Å; T304-I308 WeakPolarHBondContact O-CB 3.5Å; T304-I308 PolarHBondContact O-N 3.31Å; T304-C309 PolarHBondContact O-N 2.98Å; T304-T400 WeakPolarHBondContact OG1-CG2 3.35Å; T304-T400 PolarHBondContact OG1-OG1 2.95Å
305	A	91.1	Very high	96.1	Very high	14 Å²	14	5.6 Å²	5.6	12%	0.116	3%	0.034	C	C	.	.	I	π-helix	trans	-58.7	-63.1	-178.4	0	0	0	0	0	111.2	L299 H303 C309 G310 Q345	L299-A305 HydrophobicContact CD1-CB 3.54Å; H303-A305 PolarHBondContact O-N 3.16Å; A305-C309 CarbonylContact O-C 3.55Å; A305-C309 WeakPolarHBondContact O-CA 3.38Å; A305-C309 VanDerWaalsContact O-CB 3.3Å; A305-C309 WeakPolarHBondContact O-CB 3.34Å; A305-C309 PolarHBondContact O-N 3.31Å; A305-C309 VanDerWaalsContact O-N 3.13Å; A305-G310 PolarHBondContact O-N 2.92Å; A305-Q345 PolarHBondContact O-NE2 2.92Å; A305-Q345 PolarHBondContact O-OE1 2.84Å
306	G	94.7	Very high	96	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-71.8	-52.7	179.6	0	0	0	0	0	113.1	D297 H303 I308 G310 V311	D297-G306 VanDerWaalsContact OD2-CA 3.29Å; D297-G306 WeakPolarHBondContact OD2-CA 3.47Å; D297-G306 VanDerWaalsContact OD2-O 3.1Å; H303-G306 PolarHBondContact O-N 3.31Å; G306-I308 VanDerWaalsContact C-N 3.33Å; G306-I308 PolarHBondContact O-N 2.83Å; G306-G310 WeakPolarHBondContact O-CA 3.48Å; G306-G310 PolarHBondContact O-N 3.1Å; G306-V311 PolarHBondContact O-N 3.34Å
307	G	96.7	Very high	95.9	Very high	4 Å²	4	7.7 Å²	7.7	4%	0.041	5%	0.045	C	C	.	.	I	π-helix	trans	-69.2	-22.2	-172.6	0	0	0	0	0	115.9	Y276 L301 H303	Y276-G307 PolarHBondContact OH-O 3.47Å; L301-G307 VanDerWaalsContact O-CA 3.3Å; L301-G307 WeakPolarHBondContact O-CA 3.38Å; H303-G307 PolarHBondContact O-N 3.14Å
308	I	97.6	Very high	95.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	5%	0.045	C	C	.	.	I	π-helix	trans	-116.7	-62.3	179.9	-48.2	-176	0	0	0	110.3	I255 V271 Y276 M279 V280 T304 G306 G310 G312	I255-I308 HydrophobicContact CD1-CD1 3.89Å; I255-I308 HydrophobicContact CD1-CG1 4.03Å; V271-I308 HydrophobicContact CG1-CD1 4.01Å; V271-I308 HydrophobicContact CG2-CD1 4.26Å; Y276-I308 HydrophobicContact CD1-CG2 4.28Å; Y276-I308 HydrophobicContact CD2-CB 4.29Å; Y276-I308 HydrophobicContact CD2-CD1 4.05Å; Y276-I308 HydrophobicContact CD2-CG1 3.86Å; Y276-I308 HydrophobicContact CD2-CG2 3.75Å; Y276-I308 HydrophobicContact CE1-CG2 4.32Å; Y276-I308 HydrophobicContact CE2-CB 3.99Å; Y276-I308 HydrophobicContact CE2-CD1 4.34Å; Y276-I308 HydrophobicContact CE2-CG1 3.65Å; Y276-I308 HydrophobicContact CE2-CG2 3.79Å; Y276-I308 HydrophobicContact CG-CG2 3.99Å; M279-I308 HydrophobicContact CB-CG2 3.83Å; M279-I308 HydrophobicContact SD-CD1 4.02Å; M279-I308 HydrophobicContact SD-CG2 4.08Å; V280-I308 HydrophobicContact CG2-CG2 3.96Å; V280-I308 WeakPolarHBondContact CG2-O 3.37Å; T304-I308 HydrophobicContact CG2-CB 4.35Å; T304-I308 HydrophobicContact CG2-CD1 4.08Å; T304-I308 HydrophobicContact CG2-CG1 4.48Å; T304-I308 WeakPolarHBondContact O-CA 3.44Å; T304-I308 VanDerWaalsContact O-CB 3.22Å; T304-I308 WeakPolarHBondContact O-CB 3.5Å; T304-I308 PolarHBondContact O-N 3.31Å; G306-I308 VanDerWaalsContact C-N 3.33Å; G306-I308 PolarHBondContact O-N 2.83Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 2.87Å; I308-G312 WeakPolarHBondContact O-CA 3.32Å; I308-G312 PolarHBondContact O-N 2.82Å
309	C	96.8	Very high	96.1	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.027	4%	0.044	C	C	.	.	I	π-helix	trans	-68.8	-29.4	-173.8	-59.4	0	0	0	0	113.3	T283 T304 A305 Q313 F372	T283-C309 HydrophobicContact CG2-CB 4.37Å; T304-C309 PolarHBondContact O-N 2.98Å; A305-C309 CarbonylContact O-C 3.55Å; A305-C309 WeakPolarHBondContact O-CA 3.38Å; A305-C309 VanDerWaalsContact O-CB 3.3Å; A305-C309 WeakPolarHBondContact O-CB 3.34Å; A305-C309 PolarHBondContact O-N 3.31Å; A305-C309 VanDerWaalsContact O-N 3.13Å; C309-Q313 VanDerWaalsContact O-CG 3.22Å; C309-Q313 WeakPolarHBondContact O-CG 3.32Å; C309-Q313 PolarHBondContact O-NE2 3.32Å; C309-F372 HydrophobicContact CB-CE2 4.21Å
310	G	97.7	Very high	96.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-86.8	-74	173	0	0	0	0	0	112.5	A305 G306 I308 G312 Q313	A305-G310 PolarHBondContact O-N 2.92Å; G306-G310 WeakPolarHBondContact O-CA 3.48Å; G306-G310 PolarHBondContact O-N 3.1Å; I308-G310 VanDerWaalsContact C-N 3.32Å; I308-G310 PolarHBondContact O-N 2.87Å; G310-G312 PolarHBondContact O-N 3.42Å; G310-Q313 WeakPolarHBondContact O-CB 3.45Å; G310-Q313 WeakPolarHBondContact O-CG 3.26Å; G310-Q313 PolarHBondContact O-N 2.99Å
311	V	98.5	Very high	96.6	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-55	-35.9	-178.1	167.8	0	0	0	0	113	I144 L301 G306 Q313 M314 L315 I321	I144-V311 HydrophobicContact CD1-CG1 3.99Å; I144-V311 HydrophobicContact CD1-CG2 3.71Å; I144-V311 HydrophobicContact CG1-CG1 4.06Å; I144-V311 HydrophobicContact CG1-CG2 4.18Å; I144-V311 HydrophobicContact CG2-CG1 3.82Å; L301-V311 HydrophobicContact CD1-CG2 4.34Å; L301-V311 HydrophobicContact CD2-CG2 3.55Å; G306-V311 PolarHBondContact O-N 3.34Å; V311-Q313 PolarHBondContact O-N 3.28Å; V311-M314 HydrophobicContact CG1-CE 4.29Å; V311-M314 WeakPolarHBondContact O-CB 2.99Å; V311-M314 PolarHBondContact O-N 2.92Å; V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.08Å; V311-L315 PolarHBondContact O-N 3.42Å; V311-I321 HydrophobicContact CB-CD1 4.48Å; V311-I321 HydrophobicContact CG2-CD1 3.87Å
312	G	98.4	Very high	96.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.5	-24.6	178.6	0	0	0	0	0	113.6	Y276 V280 I308 G310 M314 L315 L316	Y276-G312 VanDerWaalsContact OH-CA 3.22Å; Y276-G312 WeakPolarHBondContact OH-CA 3.36Å; Y276-G312 PolarHBondContact OH-N 3.29Å; V280-G312 WeakPolarHBondContact CG1-O 3.33Å; I308-G312 WeakPolarHBondContact O-CA 3.32Å; I308-G312 PolarHBondContact O-N 2.82Å; G310-G312 PolarHBondContact O-N 3.42Å; G312-M314 VanDerWaalsContact C-N 3.34Å; G312-L315 PolarHBondContact O-N 2.7Å; G312-L316 PolarHBondContact O-N 2.92Å
313	Q	98.6	Very high	96.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.037	C	C	.	.	I	π-helix	trans	-65.5	-39.2	171.6	-55	-55.6	-32	0	0	111.4	V280 I289 I295 C309 G310 V311 N317 G318 N319	V280-Q313 PolarHBondContact O-NE2 2.97Å; I289-Q313 HydrophobicContact CD1-CG 4.2Å; I295-Q313 HydrophobicContact CD1-CB 3.49Å; I295-Q313 VanDerWaalsContact CD1-CB 3.49Å; I295-Q313 HydrophobicContact CD1-CG 3.71Å; C309-Q313 VanDerWaalsContact O-CG 3.22Å; C309-Q313 WeakPolarHBondContact O-CG 3.32Å; C309-Q313 PolarHBondContact O-NE2 3.32Å; G310-Q313 WeakPolarHBondContact O-CB 3.45Å; G310-Q313 WeakPolarHBondContact O-CG 3.26Å; G310-Q313 PolarHBondContact O-N 2.99Å; V311-Q313 PolarHBondContact O-N 3.28Å; Q313-N317 CarbonylContact O-C 3.58Å; Q313-N317 VanDerWaalsContact O-CA 3.3Å; Q313-N317 WeakPolarHBondContact O-CA 3.32Å; Q313-N317 WeakPolarHBondContact O-CB 3.39Å; Q313-N317 PolarHBondContact O-N 2.63Å; Q313-N317 PolarHBondContact OE1-ND2 2.9Å; Q313-G318 PolarHBondContact O-N 3.44Å; Q313-G318 VanDerWaalsContact O-N 3.1Å; Q313-N319 HydrophobicContact CB-CB 4.09Å; Q313-N319 PolarHBondContact O-N 3.4Å
314	M	98.6	Very high	97.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-65.5	-49.4	173	177	-162.5	69.1	0	0	110.5	A98 I99 F108 L111 I144 V311 G312 G318 N319 I321	A98-M314 HydrophobicContact CB-CG 4.18Å; A98-M314 HydrophobicContact CB-SD 3.77Å; I99-M314 HydrophobicContact CD1-CE 4.24Å; I99-M314 HydrophobicContact CD1-SD 3.94Å; I99-M314 HydrophobicContact CG1-CE 4.25Å; I99-M314 HydrophobicContact CG1-SD 3.32Å; I99-M314 WeakPolarHBondContact CG1-SD 3.09Å; F108-M314 HydrophobicContact CE1-CG 3.79Å; F108-M314 WeakPolarHBondContact CE1-O 3.38Å; F108-M314 HydrophobicContact CZ-CG 3.85Å; L111-M314 HydrophobicContact CD2-CE 3.43Å; L111-M314 VanDerWaalsContact CD2-CE 3.43Å; L111-M314 HydrophobicContact CD2-SD 4.03Å; I144-M314 HydrophobicContact CD1-CE 4.39Å; I144-M314 HydrophobicContact CG2-CE 3.96Å; V311-M314 HydrophobicContact CG1-CE 4.29Å; V311-M314 WeakPolarHBondContact O-CB 2.99Å; V311-M314 PolarHBondContact O-N 2.92Å; G312-M314 VanDerWaalsContact C-N 3.34Å; M314-G318 VanDerWaalsContact O-CA 3.28Å; M314-G318 WeakPolarHBondContact O-CA 3.25Å; M314-G318 PolarHBondContact O-N 3.32Å; M314-G318 VanDerWaalsContact O-N 3.07Å; M314-N319 VanDerWaalsContact CA-O 3.31Å; M314-N319 WeakPolarHBondContact CA-O 3.03Å; M314-N319 WeakPolarHBondContact CB-O 3.35Å; M314-N319 VanDerWaalsContact CG-O 3.31Å; M314-N319 WeakPolarHBondContact CG-O 3.44Å; M314-I321 HydrophobicContact CB-CD1 4.26Å; M314-I321 HydrophobicContact CB-CG1 4.26Å; M314-I321 HydrophobicContact CB-CG2 3.89Å; M314-I321 HydrophobicContact CE-CD1 4.21Å; M314-I321 HydrophobicContact CG-CG1 4.49Å; M314-I321 HydrophobicContact SD-CD1 3.79Å; M314-I321 HydrophobicContact SD-CG1 3.84Å
315	L	98.2	Very high	97.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-67.3	-42.9	-172.6	-65.3	172.2	0	0	0	113.3	F81 F85 T88 L111 I144 W147 L148 V311 G312	F81-L315 HydrophobicContact CE1-CB 4.28Å; F81-L315 HydrophobicContact CE1-CD1 3.93Å; F81-L315 HydrophobicContact CZ-CB 4.27Å; F81-L315 HydrophobicContact CZ-CD1 4.05Å; F85-L315 HydrophobicContact CD2-CB 4.28Å; F85-L315 HydrophobicContact CD2-CD2 3.59Å; F85-L315 HydrophobicContact CE2-CD2 3.54Å; F85-L315 HydrophobicContact CG-CD2 4.41Å; F85-L315 HydrophobicContact CZ-CD2 4.3Å; T88-L315 VanDerWaalsContact CB-O 3.3Å; T88-L315 WeakPolarHBondContact CB-O 3.38Å; T88-L315 WeakPolarHBondContact CG2-O 3.43Å; T88-L315 PolarHBondContact OG1-O 3.23Å; L111-L315 HydrophobicContact CD2-CD2 4.35Å; I144-L315 HydrophobicContact CG2-CD1 4.31Å; I144-L315 HydrophobicContact CG2-CD2 4.22Å; W147-L315 HydrophobicContact CH2-CD1 3.71Å; W147-L315 HydrophobicContact CZ2-CD1 3.37Å; L148-L315 HydrophobicContact CD2-CD2 4.01Å; V311-L315 HydrophobicContact CG1-CD1 3.62Å; V311-L315 HydrophobicContact CG1-CG 4.08Å; V311-L315 PolarHBondContact O-N 3.42Å; G312-L315 PolarHBondContact O-N 2.7Å
316	L	97.3	Very high	97.1	Very high	28 Å²	28	14.1 Å²	14.1	15%	0.147	7%	0.069	C	C	.	.	I	π-helix	trans	-101	-27.4	-174.3	-55	-172	0	0	0	113.6	F81 M84 T88 Y276 T277 V280 G312	F81-L316 HydrophobicContact CE2-CD2 4.03Å; F81-L316 HydrophobicContact CZ-CD2 3.96Å; M84-L316 HydrophobicContact CB-CD2 3.99Å; M84-L316 HydrophobicContact CE-CD2 4.21Å; M84-L316 HydrophobicContact SD-CD2 4.11Å; T88-L316 PolarHBondContact OG1-O 2.89Å; Y276-L316 HydrophobicContact CD1-CD1 4.17Å; Y276-L316 HydrophobicContact CE1-CD1 4.3Å; T277-L316 HydrophobicContact CG2-CD1 4.16Å; V280-L316 HydrophobicContact CB-CD1 4.02Å; V280-L316 HydrophobicContact CG1-CB 4.12Å; V280-L316 HydrophobicContact CG1-CD1 3.97Å; V280-L316 HydrophobicContact CG1-CG 4.34Å; V280-L316 HydrophobicContact CG2-CD1 4.18Å; G312-L316 PolarHBondContact O-N 2.92Å
317	N	97	Very high	96.8	Very high	15 Å²	15	15.9 Å²	15.9	8%	0.08	8%	0.076	C	C	.	.	I	π-helix	trans	-109.9	-12	-176	-61.4	-60.2	0	0	0	113.7	K284 Q291 Q313 N319	K284-N317 HydrophobicContact CD-CB 4.42Å; K284-N317 WeakPolarHBondContact CD-ND2 3.39Å; K284-N317 WeakPolarHBondContact CD-OD1 3.46Å; K284-N317 PolarHBondContact NZ-OD1 2.86Å; Q291-N317 PolarHBondContact NE2-O 2.81Å; Q313-N317 CarbonylContact O-C 3.58Å; Q313-N317 VanDerWaalsContact O-CA 3.3Å; Q313-N317 WeakPolarHBondContact O-CA 3.32Å; Q313-N317 WeakPolarHBondContact O-CB 3.39Å; Q313-N317 PolarHBondContact O-N 2.63Å; Q313-N317 PolarHBondContact OE1-ND2 2.9Å; N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 WeakPolarHBondContact CB-OD1 3.3Å
318	G	97.9	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.			trans	75.6	22.7	178.2	0	0	0	0	0	114	T88 R92 Q313 M314	T88-G318 VanDerWaalsContact CG2-CA 3.49Å; R92-G318 PolarHBondContact NE-O 3.11Å; Q313-G318 PolarHBondContact O-N 3.44Å; Q313-G318 VanDerWaalsContact O-N 3.1Å; M314-G318 VanDerWaalsContact O-CA 3.28Å; M314-G318 WeakPolarHBondContact O-CA 3.25Å; M314-G318 PolarHBondContact O-N 3.32Å; M314-G318 VanDerWaalsContact O-N 3.07Å
319	N	98.6	Very high	96.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.			trans	-65.8	154.6	170.8	-76.5	89.8	0	0	0	111.2	K290 D293 I295 Q313 M314 N317	K290-N319 PolarHBondContact O-ND2 3.19Å; D293-N319 PolarHBondContact O-ND2 2.9Å; D293-N319 VanDerWaalsContact O-ND2 3.09Å; I295-N319 HydrophobicContact CD1-CB 3.94Å; Q313-N319 HydrophobicContact CB-CB 4.09Å; Q313-N319 PolarHBondContact O-N 3.4Å; M314-N319 VanDerWaalsContact CA-O 3.31Å; M314-N319 WeakPolarHBondContact CA-O 3.03Å; M314-N319 WeakPolarHBondContact CB-O 3.35Å; M314-N319 VanDerWaalsContact CG-O 3.31Å; M314-N319 WeakPolarHBondContact CG-O 3.44Å; N317-N319 VanDerWaalsContact C-N 3.35Å; N317-N319 WeakPolarHBondContact CB-OD1 3.3Å
320	T	98.8	Very high	96.1	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.055	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.2	166.9	-57.5	0	0	0	0	108.3	V97 A98 Y100 I294 I295	V97-T320 HydrophobicContact CB-CG2 4.35Å; V97-T320 HydrophobicContact CG1-CG2 3.88Å; V97-T320 PolarHBondContact O-OG1 2.88Å; A98-T320 WeakPolarHBondContact O-CA 3.44Å; Y100-T320 HydrophobicContact CD2-CG2 3.76Å; Y100-T320 HydrophobicContact CE2-CG2 3.67Å; I294-T320 WeakPolarHBondContact CA-O 3.43Å; I294-T320 HydrophobicContact CG2-CG2 4.39Å; I295-T320 PolarHBondContact N-O 3.32Å
321	I	98.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151.2	175.4	61.5	173.7	0	0	0	110.5	A98 I99 Y100 I144 I295 V311 M314 I323	A98-I321 PolarHBondContact O-N 2.88Å; I99-I321 CarbonylContact C-O 3.42Å; I99-I321 WeakPolarHBondContact CA-O 3.4Å; I99-I321 HydrophobicContact CB-CG1 4.38Å; I99-I321 HydrophobicContact CG1-CD1 4.17Å; I99-I321 HydrophobicContact CG1-CG1 4Å; I99-I321 HydrophobicContact CG2-CG1 4.25Å; Y100-I321 PolarHBondContact N-O 3.41Å; I144-I321 HydrophobicContact CD1-CD1 4.05Å; I295-I321 HydrophobicContact CB-CG2 4.25Å; I295-I321 CarbonylContact O-C 3.43Å; I295-I321 VanDerWaalsContact O-CA 3.31Å; I295-I321 WeakPolarHBondContact O-CA 3.07Å; V311-I321 HydrophobicContact CB-CD1 4.48Å; V311-I321 HydrophobicContact CG2-CD1 3.87Å; M314-I321 HydrophobicContact CB-CD1 4.26Å; M314-I321 HydrophobicContact CB-CG1 4.26Å; M314-I321 HydrophobicContact CB-CG2 3.89Å; M314-I321 HydrophobicContact CE-CD1 4.21Å; M314-I321 HydrophobicContact CG-CG1 4.49Å; M314-I321 HydrophobicContact SD-CD1 3.79Å; M314-I321 HydrophobicContact SD-CG1 3.84Å; I321-I323 HydrophobicContact CB-CG2 4.47Å; I321-I323 HydrophobicContact CD1-CG2 3.8Å; I321-I323 HydrophobicContact CG1-CG2 4.21Å
322	V	98.8	Very high	96	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.5	171.2	-178.9	0	0	0	0	106.2	Y100 I294 I295 Y296 D297 Y339	Y100-V322 HydrophobicContact CD2-CG2 3.86Å; Y100-V322 HydrophobicContact CG-CG2 4.36Å; Y100-V322 WeakPolarHBondContact O-CA 3.42Å; I294-V322 HydrophobicContact CG2-CG2 3.61Å; I295-V322 PolarHBondContact O-N 3Å; Y296-V322 HydrophobicContact CD2-CB 3.88Å; Y296-V322 HydrophobicContact CD2-CG1 3.68Å; Y296-V322 HydrophobicContact CE2-CG1 3.94Å; D297-V322 PolarHBondContact N-O 3.48Å; V322-Y339 HydrophobicContact CG1-CD2 3.51Å; V322-Y339 HydrophobicContact CG1-CE2 3.95Å; V322-Y339 HydrophobicContact CG1-CG 3.93Å; V322-Y339 HydrophobicContact CG2-CD2 4.33Å; V322-Y339 HydrophobicContact CG2-CG 3.94Å
323	I	98.2	Very high	96	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	159.9	-176.7	59.4	166.3	0	0	0	111.1	I99 Y100 F101 P141 I144 D297 L301 I321	I99-I323 HydrophobicContact CG2-CD1 3.78Å; I99-I323 HydrophobicContact CG2-CG1 3.6Å; Y100-I323 PolarHBondContact O-N 2.93Å; F101-I323 HydrophobicContact CB-CG1 4.07Å; F101-I323 HydrophobicContact CD2-CD1 4.18Å; F101-I323 HydrophobicContact CD2-CG1 3.9Å; F101-I323 HydrophobicContact CG-CG1 4.42Å; P141-I323 HydrophobicContact CG-CD1 4.48Å; I144-I323 HydrophobicContact CD1-CD1 4.17Å; D297-I323 HydrophobicContact CB-CG2 4.23Å; D297-I323 WeakPolarHBondContact O-CA 3.48Å; L301-I323 HydrophobicContact CD1-CD1 4.21Å; I321-I323 HydrophobicContact CB-CG2 4.47Å; I321-I323 HydrophobicContact CD1-CG2 3.8Å; I321-I323 HydrophobicContact CG1-CG2 4.21Å
324	R	95.1	Very high	95.9	Very high	49 Å²	49	25 Å²	25	19%	0.185	13%	0.131	C	C	.	.			trans	-128.4	156.6	172	-65.3	-168.1	69.7	93.1	10.1	110.9	S139 Y296 K326 D335	S139-R324 VanDerWaalsContact CB-O 3.32Å; S139-R324 WeakPolarHBondContact CB-O 3.33Å; Y296-R324 VanDerWaalsContact OH-CD 3.24Å; Y296-R324 WeakPolarHBondContact OH-CD 3.19Å; R324-K326 WeakPolarHBondContact CB-O 3.19Å; R324-D335 WeakPolarHBondContact CD-OD2 3.42Å; R324-D335 IonicContact CZ-OD2 2.77Å; R324-D335 IonicContact NE-OD2 3.52Å; R324-D335 IonicContact NH1-OD1 3.71Å; R324-D335 IonicContact NH1-OD2 3.52Å; R324-D335 PolarHBondContact NH1-OD2 3.3Å
325	S	93.7	Very high	95.9	Very high	33 Å²	33	25.4 Å²	25.4	23%	0.231	13%	0.132	C	C	.	.	S	Bend	trans	-69	-38.9	174.9	-167.5	0	0	0	0	111.8	S139	S139-S325 VanDerWaalsContact O-CA 3.23Å; S139-S325 WeakPolarHBondContact O-CA 3.12Å; S139-S325 WeakPolarHBondContact O-CB 3.34Å; S139-S325 PolarHBondContact O-OG 3.34Å
326	K	89.2	Confident	95.9	Very high	150 Å²	150	25.4 Å²	25.4	65%	0.652	13%	0.132	S	C	*	.	S	Bend	trans	-137.8	146.9	174.4	-63.1	-176.8	-179.4	-179.6	0	109.9	R324	R324-K326 WeakPolarHBondContact CB-O 3.19Å
327	F	88.3	Confident	95.9	Very high	36 Å²	36	26.4 Å²	26.4	16%	0.158	14%	0.14	C	C	.	.			trans	-58.9	140.2	172.7	169.7	-108.7	0	0	0	110.9	P298 A329 F332 I350 Y353 F615	P298-F327 HydrophobicContact CB-CD2 4.09Å; P298-F327 HydrophobicContact CG-CD2 4.31Å; F327-A329 HydrophobicContact CE1-CB 3.93Å; F327-A329 HydrophobicContact CZ-CB 3.77Å; F327-F332 HydrophobicContact CE2-CD2 4.01Å; F327-I350 HydrophobicContact CD2-CD1 3.85Å; F327-I350 HydrophobicContact CD2-CG1 4.09Å; F327-I350 HydrophobicContact CE1-CG1 4.4Å; F327-I350 HydrophobicContact CE2-CB 4.25Å; F327-I350 HydrophobicContact CE2-CD1 3.94Å; F327-I350 HydrophobicContact CE2-CG1 3.8Å; F327-I350 HydrophobicContact CE2-CG2 3.64Å; F327-I350 HydrophobicContact CG-CD1 4.43Å; F327-I350 HydrophobicContact CZ-CB 4.31Å; F327-I350 HydrophobicContact CZ-CG1 3.97Å; F327-I350 HydrophobicContact CZ-CG2 3.95Å; F327-Y353 AromaticContact CE1-CD2 3.73Å; F327-Y353 HydrophobicContact CE1-CD2 3.73Å; F327-Y353 HydrophobicContact CE1-CG 4.15Å; F327-Y353 HydrophobicContact CZ-CD2 4.31Å; F327-F615 HydrophobicContact CB-CE2 4.14Å; F327-F615 HydrophobicContact CB-CZ 3.84Å; F327-F615 HydrophobicContact CD1-CE1 4.44Å; F327-F615 HydrophobicContact CD1-CE2 4.1Å; F327-F615 AromaticContact CD1-CZ 3.87Å; F327-F615 HydrophobicContact CD1-CZ 3.87Å; F327-F615 HydrophobicContact CG-CE2 4.3Å; F327-F615 HydrophobicContact CG-CZ 4.21Å
328	S	93.6	Very high	95.9	Very high	28 Å²	28	31.3 Å²	31.3	20%	0.196	16%	0.16	C	C	.	.			trans	-137.2	111.7	172.1	174.2	0	0	0	0	108.9	S330 Q331 F332	S328-S330 VanDerWaalsContact C-N 3.26Å; S328-S330 PolarHBondContact O-N 3.03Å; S328-S330 PolarHBondContact OG-OG 3.48Å; S328-Q331 PolarHBondContact O-N 3.16Å; S328-Q331 WeakPolarHBondContact OG-CG 3.09Å; S328-Q331 PolarHBondContact OG-N 3.13Å; S328-F332 PolarHBondContact O-N 2.59Å; S328-F332 VanDerWaalsContact O-N 3.16Å
329	A	88	Confident	95.9	Very high	16 Å²	16	32.5 Å²	32.5	13%	0.132	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-38.6	178.5	0	0	0	0	0	111.6	F327 Q331 Q357	F327-A329 HydrophobicContact CE1-CB 3.93Å; F327-A329 HydrophobicContact CZ-CB 3.77Å; A329-Q331 VanDerWaalsContact C-N 3.33Å; A329-Q331 PolarHBondContact O-N 3.06Å; A329-Q357 HydrophobicContact CB-CG 4Å
330	S	94.5	Very high	95.9	Very high	40 Å²	40	39.7 Å²	39.7	28%	0.28	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.8	-177.6	64.3	0	0	0	0	114.1	S328 R360	S328-S330 VanDerWaalsContact C-N 3.26Å; S328-S330 PolarHBondContact O-N 3.03Å; S328-S330 PolarHBondContact OG-OG 3.48Å; S330-R360 PolarHBondContact O-NH1 3.37Å
331	Q	96.1	Very high	95.9	Very high	74 Å²	74	39.3 Å²	39.3	35%	0.346	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.3	178.4	-64.7	-61.2	-49.9	0	0	113.8	S328 A329 W333 P334 D335	S328-Q331 PolarHBondContact O-N 3.16Å; S328-Q331 WeakPolarHBondContact OG-CG 3.09Å; S328-Q331 PolarHBondContact OG-N 3.13Å; A329-Q331 VanDerWaalsContact C-N 3.33Å; A329-Q331 PolarHBondContact O-N 3.06Å; Q331-W333 PolarHBondContact O-N 2.83Å; Q331-P334 WeakPolarHBondContact O-CD 3.29Å; Q331-D335 VanDerWaalsContact O-CB 3.3Å; Q331-D335 WeakPolarHBondContact O-CB 3.49Å; Q331-D335 VanDerWaalsContact O-CG 3.26Å; Q331-D335 PolarHBondContact O-N 3.46Å
332	F	97.6	Very high	95.9	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-51.9	-55.5	-175.7	-171.1	-76.2	0	0	0	113.3	Y296 P298 F327 S328 C336 A344 I350 L354	Y296-F332 HydrophobicContact CD1-CD1 4.48Å; Y296-F332 HydrophobicContact CD1-CD2 4.01Å; Y296-F332 HydrophobicContact CD1-CE1 4.26Å; Y296-F332 AromaticContact CD1-CE2 3.78Å; Y296-F332 HydrophobicContact CD1-CE2 3.78Å; Y296-F332 HydrophobicContact CD1-CG 4.35Å; Y296-F332 AromaticContact CD1-CZ 3.92Å; Y296-F332 HydrophobicContact CD1-CZ 3.92Å; Y296-F332 HydrophobicContact CE1-CB 4.36Å; Y296-F332 HydrophobicContact CE1-CD1 4.3Å; Y296-F332 AromaticContact CE1-CD2 3.41Å; Y296-F332 HydrophobicContact CE1-CD2 3.41Å; Y296-F332 VanDerWaalsContact CE1-CD2 3.41Å; Y296-F332 HydrophobicContact CE1-CE1 4.48Å; Y296-F332 AromaticContact CE1-CE2 3.64Å; Y296-F332 HydrophobicContact CE1-CE2 3.64Å; Y296-F332 AromaticContact CE1-CG 3.77Å; Y296-F332 HydrophobicContact CE1-CG 3.77Å; Y296-F332 HydrophobicContact CE1-CZ 4.18Å; P298-F332 HydrophobicContact CG-CD2 4.24Å; P298-F332 HydrophobicContact CG-CE2 3.91Å; F327-F332 HydrophobicContact CE2-CD2 4.01Å; S328-F332 PolarHBondContact O-N 2.59Å; S328-F332 VanDerWaalsContact O-N 3.16Å; F332-C336 PolarHBondContact O-N 3.19Å; F332-C336 VanDerWaalsContact O-N 3.09Å; F332-C336 PolarHBondContact O-SG 2.52Å; F332-A344 HydrophobicContact CE1-CB 4.25Å; F332-A344 HydrophobicContact CZ-CB 3.92Å; F332-I350 HydrophobicContact CD2-CG2 4.22Å; F332-I350 HydrophobicContact CE2-CG2 3.85Å; F332-L354 HydrophobicContact CB-CD2 3.39Å; F332-L354 HydrophobicContact CD1-CD1 3.83Å; F332-L354 HydrophobicContact CD1-CD2 3.98Å; F332-L354 HydrophobicContact CD2-CD1 3.91Å; F332-L354 HydrophobicContact CD2-CD2 3.96Å; F332-L354 HydrophobicContact CD2-CG 4.46Å; F332-L354 HydrophobicContact CE1-CD1 3.84Å; F332-L354 HydrophobicContact CE2-CD1 3.91Å; F332-L354 HydrophobicContact CG-CD1 3.89Å; F332-L354 HydrophobicContact CG-CD2 3.52Å; F332-L354 HydrophobicContact CG-CG 4.33Å; F332-L354 HydrophobicContact CZ-CD1 3.88Å
333	W	98.3	Very high	95.9	Very high	8 Å²	8	40.7 Å²	40.7	3%	0.03	20%	0.202	C	C	.	.	H	α-helix	trans	-75.3	-42	179.8	-57.9	120.3	0	0	0	113.6	Q331 D335 C336 V337 L354 H366 V368 F384 F388 V390	Q331-W333 PolarHBondContact O-N 2.83Å; W333-D335 VanDerWaalsContact C-N 3.26Å; W333-D335 PolarHBondContact O-N 3.14Å; W333-C336 HydrophobicContact CE3-CB 4.24Å; W333-C336 WeakPolarHBondContact O-CB 3.46Å; W333-C336 PolarHBondContact O-N 3.37Å; W333-C336 VanDerWaalsContact O-N 3.13Å; W333-V337 WeakPolarHBondContact O-CG2 3.48Å; W333-V337 PolarHBondContact O-N 3.35Å; W333-L354 HydrophobicContact CZ2-CD1 4.09Å; W333-H366 AromaticContact CD2-CD2 3.8Å; W333-H366 HydrophobicContact CE3-CB 4.44Å; W333-H366 AromaticContact CE3-CD2 3.05Å; W333-H366 AromaticContact CE3-CG 3.8Å; W333-H366 AromaticContact CE3-NE2 3.4Å; W333-H366 AromaticContact CH2-NE2 3.72Å; W333-H366 AromaticContact CZ3-CD2 3.31Å; W333-H366 WeakPolarHBondContact CZ3-CD2 3.46Å; W333-H366 AromaticContact CZ3-CE1 3.73Å; W333-H366 AromaticContact CZ3-CG 3.91Å; W333-H366 AromaticContact CZ3-NE2 3.16Å; W333-H366 WeakPolarHBondContact CZ3-NE2 3.18Å; W333-V368 HydrophobicContact CZ3-CB 4.45Å; W333-V368 HydrophobicContact CZ3-CG2 4.19Å; W333-F384 HydrophobicContact CH2-CZ 4.22Å; W333-F384 HydrophobicContact CZ2-CE2 4.31Å; W333-F384 HydrophobicContact CZ2-CZ 4.05Å; W333-F388 AromaticContact CD1-CD1 3.88Å; W333-F388 AromaticContact CD1-CE1 3.68Å; W333-F388 HydrophobicContact CD2-CD1 4.23Å; W333-F388 AromaticContact CE2-CD1 3.3Å; W333-F388 AromaticContact CE2-CE1 3.69Å; W333-F388 AromaticContact CE2-CG 3.64Å; W333-F388 HydrophobicContact CH2-CB 3.77Å; W333-F388 HydrophobicContact CH2-CD1 4.46Å; W333-F388 HydrophobicContact CH2-CG 4.04Å; W333-F388 HydrophobicContact CZ2-CB 3.49Å; W333-F388 VanDerWaalsContact CZ2-CB 3.49Å; W333-F388 AromaticContact CZ2-CD1 3.46Å; W333-F388 HydrophobicContact CZ2-CD1 3.46Å; W333-F388 VanDerWaalsContact CZ2-CD1 3.46Å; W333-F388 AromaticContact CZ2-CD2 3.65Å; W333-F388 HydrophobicContact CZ2-CD2 3.65Å; W333-F388 HydrophobicContact CZ2-CE1 4.09Å; W333-F388 HydrophobicContact CZ2-CE2 4.24Å; W333-F388 AromaticContact CZ2-CG 3.22Å; W333-F388 HydrophobicContact CZ2-CG 3.22Å; W333-F388 HydrophobicContact CZ2-CZ 4.44Å; W333-F388 AromaticContact NE1-CD1 3.08Å; W333-F388 AromaticContact NE1-CE1 2.95Å; W333-F388 AromaticContact NE1-CG 3.81Å; W333-F388 AromaticContact NE1-CZ 3.56Å; W333-V390 HydrophobicContact CH2-CG2 3.96Å
334	P	97.7	Very high	95.9	Very high	34 Å²	34	40.7 Å²	40.7	22%	0.221	20%	0.203	C	C	.	.	H	α-helix	trans	-50.8	-43.5	169.3	-30.3	35	0	0	0	113.8	Q331 V337 K338 T362	Q331-P334 WeakPolarHBondContact O-CD 3.29Å; P334-V337 PolarHBondContact O-N 3.17Å; P334-K338 WeakPolarHBondContact O-CB 3.16Å; P334-K338 PolarHBondContact O-N 3.14Å; P334-T362 HydrophobicContact CG-CG2 4.22Å
335	D	97.4	Very high	96	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-43.4	176.6	-73.5	-21.7	0	0	0	111.3	Y296 R324 Q331 W333 V337 K338 Y339	Y296-D335 HydrophobicContact CD2-CB 4.24Å; Y296-D335 HydrophobicContact CE2-CB 3.51Å; Y296-D335 PolarHBondContact OH-OD2 3.35Å; R324-D335 WeakPolarHBondContact CD-OD2 3.42Å; R324-D335 IonicContact CZ-OD2 2.77Å; R324-D335 IonicContact NE-OD2 3.52Å; R324-D335 IonicContact NH1-OD1 3.71Å; R324-D335 IonicContact NH1-OD2 3.52Å; R324-D335 PolarHBondContact NH1-OD2 3.3Å; Q331-D335 VanDerWaalsContact O-CB 3.3Å; Q331-D335 WeakPolarHBondContact O-CB 3.49Å; Q331-D335 VanDerWaalsContact O-CG 3.26Å; Q331-D335 PolarHBondContact O-N 3.46Å; W333-D335 VanDerWaalsContact C-N 3.26Å; W333-D335 PolarHBondContact O-N 3.14Å; D335-V337 PolarHBondContact O-N 2.87Å; D335-K338 PolarHBondContact O-N 2.8Å; D335-Y339 HydrophobicContact CB-CD2 4.18Å; D335-Y339 HydrophobicContact CB-CE2 4.27Å; D335-Y339 VanDerWaalsContact O-CD2 3.26Å; D335-Y339 WeakPolarHBondContact O-CD2 3.29Å; D335-Y339 PolarHBondContact O-N 2.71Å
336	C	98.4	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.8	-34.9	175.3	-71.3	0	0	0	0	112.5	F332 W333 K340 C341 H366 V368	F332-C336 PolarHBondContact O-N 3.19Å; F332-C336 VanDerWaalsContact O-N 3.09Å; F332-C336 PolarHBondContact O-SG 2.52Å; W333-C336 HydrophobicContact CE3-CB 4.24Å; W333-C336 WeakPolarHBondContact O-CB 3.46Å; W333-C336 PolarHBondContact O-N 3.37Å; W333-C336 VanDerWaalsContact O-N 3.13Å; C336-K340 WeakPolarHBondContact O-CA 3.48Å; C336-K340 PolarHBondContact O-N 3.42Å; C336-C341 HydrophobicContact CB-CB 4.09Å; C336-C341 PolarHBondContact O-N 3.13Å; C336-H366 HydrophobicContact CB-CB 3.99Å; C336-V368 HydrophobicContact CB-CG2 4.14Å
337	V	98.3	Very high	95.8	Very high	49 Å²	49	30.6 Å²	30.6	30%	0.297	16%	0.156	S	C	.	.	H	α-helix	trans	-72.4	-53.2	173.1	175.9	0	0	0	0	110.7	W333 P334 D335 Y339 K340 Q365 H366	W333-V337 WeakPolarHBondContact O-CG2 3.48Å; W333-V337 PolarHBondContact O-N 3.35Å; P334-V337 PolarHBondContact O-N 3.17Å; D335-V337 PolarHBondContact O-N 2.87Å; V337-Y339 PolarHBondContact O-N 3.13Å; V337-K340 PolarHBondContact O-N 3.08Å; V337-K340 VanDerWaalsContact O-N 3.16Å; V337-Q365 HydrophobicContact CG2-CB 3.99Å; V337-H366 HydrophobicContact CG2-CB 4.04Å
338	K	97.5	Very high	95.2	Very high	119 Å²	119	29.2 Å²	29.2	52%	0.517	15%	0.152	S	C	.	.	H	α-helix	trans	-53.9	-48.4	-176.5	179.9	-179.2	176.3	-169.8	0	112.1	D103 P334 D335	D103-K338 IonicContact OD1-NZ 3.08Å; P334-K338 WeakPolarHBondContact O-CB 3.16Å; P334-K338 PolarHBondContact O-N 3.14Å; D335-K338 PolarHBondContact O-N 2.8Å
339	Y	97.8	Very high	94.4	Very high	24 Å²	24	28.5 Å²	28.5	9%	0.094	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6	-176.2	-56.7	-75.2	0	0	0	113.6	Y100 E102 I294 V322 D335 V337 C341	Y100-Y339 AromaticContact CD1-CD1 3.63Å; Y100-Y339 HydrophobicContact CD1-CD1 3.63Å; Y100-Y339 AromaticContact CD1-CE1 3.79Å; Y100-Y339 HydrophobicContact CD1-CE1 3.79Å; Y100-Y339 HydrophobicContact CD2-CD1 4Å; Y100-Y339 HydrophobicContact CE1-CD1 4.23Å; Y100-Y339 AromaticContact CG-CD1 3.51Å; Y100-Y339 HydrophobicContact CG-CD1 3.51Å; Y100-Y339 AromaticContact CG-CE1 3.91Å; Y100-Y339 HydrophobicContact CG-CE1 3.91Å; Y100-Y339 HydrophobicContact CG-CG 4.32Å; E102-Y339 PolarHBondContact O-OH 2.93Å; I294-Y339 WeakPolarHBondContact CD1-O 3.34Å; V322-Y339 HydrophobicContact CG1-CD2 3.51Å; V322-Y339 HydrophobicContact CG1-CE2 3.95Å; V322-Y339 HydrophobicContact CG1-CG 3.93Å; V322-Y339 HydrophobicContact CG2-CD2 4.33Å; V322-Y339 HydrophobicContact CG2-CG 3.94Å; D335-Y339 HydrophobicContact CB-CD2 4.18Å; D335-Y339 HydrophobicContact CB-CE2 4.27Å; D335-Y339 VanDerWaalsContact O-CD2 3.26Å; D335-Y339 WeakPolarHBondContact O-CD2 3.29Å; D335-Y339 PolarHBondContact O-N 2.71Å; V337-Y339 PolarHBondContact O-N 3.13Å; Y339-C341 VanDerWaalsContact C-N 3.33Å; Y339-C341 PolarHBondContact O-N 3.24Å
340	K	98	Very high	94.2	Very high	152 Å²	152	27.8 Å²	27.8	66%	0.661	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	44.2	178.4	-53.8	177.4	-178.7	179	0	112.6	C336 V337	C336-K340 WeakPolarHBondContact O-CA 3.48Å; C336-K340 PolarHBondContact O-N 3.42Å; V337-K340 PolarHBondContact O-N 3.08Å; V337-K340 VanDerWaalsContact O-N 3.16Å
341	C	98.6	Very high	93.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.			trans	-63.7	137	179.5	-59.1	0	0	0	0	111	I294 C336 Y339 H367 V368	I294-C341 WeakPolarHBondContact O-CA 3.31Å; C336-C341 HydrophobicContact CB-CB 4.09Å; C336-C341 PolarHBondContact O-N 3.13Å; Y339-C341 VanDerWaalsContact C-N 3.33Å; Y339-C341 PolarHBondContact O-N 3.24Å; C341-H367 CarbonylContact O-C 3.49Å; C341-V368 HydrophobicContact CB-CG2 4.41Å; C341-V368 PolarHBondContact O-N 3.34Å
342	T	98.6	Very high	93	Very high	32 Å²	32	23.1 Å²	23.1	20%	0.196	11%	0.113	C	C	.	.	S	Bend	trans	-112.9	-17.2	176.4	57.1	0	0	0	0	112.2	D293 I294 V368 R369	D293-T342 VanDerWaalsContact CA-OG1 3.24Å; D293-T342 WeakPolarHBondContact CA-OG1 3.45Å; D293-T342 VanDerWaalsContact CB-OG1 3.3Å; D293-T342 WeakPolarHBondContact CB-OG1 3.15Å; D293-T342 WeakPolarHBondContact OD1-CB 3.24Å; D293-T342 PolarHBondContact OD1-OG1 2.92Å; I294-T342 PolarHBondContact N-OG1 3.2Å; I294-T342 PolarHBondContact O-N 3.32Å; T342-V368 CarbonylContact O-C 3.59Å; T342-V368 WeakPolarHBondContact O-CA 3.33Å; T342-R369 WeakPolarHBondContact O-CG 3.36Å; T342-R369 PolarHBondContact O-N 3.24Å
343	V	98.7	Very high	92.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.8	174.8	179.1	0	0	0	0	108	D293 I294 I295 Y296 I370 F372	D293-V343 HydrophobicContact CB-CG2 3.79Å; I294-V343 PolarHBondContact O-N 3.26Å; I295-V343 CarbonylContact C-O 3.38Å; I295-V343 WeakPolarHBondContact CA-O 3.3Å; I295-V343 HydrophobicContact CG1-CB 4.11Å; I295-V343 HydrophobicContact CG1-CG1 4.39Å; I295-V343 HydrophobicContact CG2-CG1 4.28Å; Y296-V343 PolarHBondContact N-O 3.36Å; V343-I370 VanDerWaalsContact CA-O 3.32Å; V343-I370 WeakPolarHBondContact CA-O 3.31Å; V343-F372 HydrophobicContact CG1-CD1 3.51Å; V343-F372 HydrophobicContact CG1-CE1 3.57Å
344	A	98.4	Very high	91.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.9	173.2	0	0	0	0	0	110.2	F332 V368 I370 A371 F372	F332-A344 HydrophobicContact CE1-CB 4.25Å; F332-A344 HydrophobicContact CZ-CB 3.92Å; A344-V368 HydrophobicContact CB-CG1 3.91Å; A344-V368 HydrophobicContact CB-CG2 4.38Å; A344-I370 PolarHBondContact N-O 3.44Å; A344-A371 CarbonylContact O-C 3.56Å; A344-A371 WeakPolarHBondContact O-CA 2.81Å; A344-F372 PolarHBondContact O-N 2.9Å
345	Q	97.7	Very high	91.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.4	172.2	-162	171.9	12.4	0	0	110.7	Y296 D297 L299 A305 F372	Y296-Q345 PolarHBondContact O-N 3.21Å; D297-Q345 PolarHBondContact OD1-OE1 2.97Å; L299-Q345 HydrophobicContact CD1-CB 4.42Å; L299-Q345 HydrophobicContact CD1-CG 3.75Å; A305-Q345 PolarHBondContact O-NE2 2.92Å; A305-Q345 PolarHBondContact O-OE1 2.84Å; Q345-F372 CarbonylContact C-O 3.6Å; Q345-F372 VanDerWaalsContact CA-O 3.28Å; Q345-F372 WeakPolarHBondContact CA-O 3.34Å; Q345-F372 HydrophobicContact CB-CE1 4.11Å; Q345-F372 HydrophobicContact CB-CZ 4.03Å; Q345-F372 HydrophobicContact CG-CD2 4.4Å; Q345-F372 HydrophobicContact CG-CE1 4.22Å; Q345-F372 HydrophobicContact CG-CE2 3.82Å; Q345-F372 HydrophobicContact CG-CZ 3.73Å
346	Y	93.2	Very high	90.8	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.2	175.7	72.7	-95.4	0	0	0	112.8	A371 F372 G373 L376 I393 E395	Y346-A371 HydrophobicContact CD1-CB 3.94Å; Y346-A371 HydrophobicContact CE1-CB 4.22Å; Y346-F372 VanDerWaalsContact CD1-C 3.43Å; Y346-F372 WeakPolarHBondContact CD1-O 3.16Å; Y346-F372 PolarHBondContact N-O 3.27Å; Y346-G373 WeakPolarHBondContact O-CA 3.42Å; Y346-L376 HydrophobicContact CE2-CB 3.74Å; Y346-I393 HydrophobicContact CE1-CG2 4.02Å; Y346-I393 VanDerWaalsContact OH-CG2 3.24Å; Y346-I393 WeakPolarHBondContact OH-CG2 3.03Å; Y346-E395 WeakPolarHBondContact CE2-OE2 3.35Å; Y346-E395 PolarHBondContact OH-OE2 3.43Å
347	I	84.7	Confident	90.3	Very high	16 Å²	16	29.1 Å²	29.1	8%	0.082	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154	152.1	57.6	173.6	0	0	0	107.2	L299 E349 I350 N374 T614 F615	L299-I347 HydrophobicContact CD1-CG2 4.09Å; L299-I347 HydrophobicContact CD2-CD1 4.41Å; L299-I347 HydrophobicContact CD2-CG1 4.06Å; L299-I347 HydrophobicContact CD2-CG2 4.08Å; I347-E349 VanDerWaalsContact C-N 3.27Å; I347-E349 PolarHBondContact O-N 2.84Å; I347-I350 HydrophobicContact CG1-CB 4.48Å; I347-I350 HydrophobicContact CG1-CD1 3.93Å; I347-I350 HydrophobicContact CG1-CG1 3.86Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.95Å; I347-N374 CarbonylContact C-O 3.43Å; I347-N374 WeakPolarHBondContact CA-O 3.45Å; I347-T614 HydrophobicContact CD1-CG2 4.19Å; I347-T614 VanDerWaalsContact CD1-O 3.31Å; I347-T614 WeakPolarHBondContact CD1-O 2.75Å; I347-F615 HydrophobicContact CD1-CD2 4.17Å
348	G	76.4	Confident	90	Very high	7 Å²	7	30.9 Å²	30.9	7%	0.072	16%	0.155	C	C	.	.	H	α-helix	trans	-44.5	-45.6	-170.5	0	0	0	0	0	116.2	I350 C351 R352 N374 G375	G348-I350 VanDerWaalsContact C-N 3.3Å; G348-I350 PolarHBondContact O-N 3.17Å; G348-C351 WeakPolarHBondContact O-CB 3.49Å; G348-C351 PolarHBondContact O-N 2.94Å; G348-C351 VanDerWaalsContact O-N 3.17Å; G348-R352 PolarHBondContact O-N 2.87Å; G348-N374 PolarHBondContact N-O 2.85Å; G348-G375 WeakPolarHBondContact CA-O 3.45Å
349	E	77.4	Confident	90	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-28.7	-179.6	-69.9	-56.9	127.4	0	0	113.7	I347 C351 R352 Y353 R377 F615	I347-E349 VanDerWaalsContact C-N 3.27Å; I347-E349 PolarHBondContact O-N 2.84Å; E349-C351 VanDerWaalsContact C-N 3.31Å; E349-C351 PolarHBondContact O-N 2.97Å; E349-R352 WeakPolarHBondContact O-CB 3.09Å; E349-R352 PolarHBondContact O-N 3.03Å; E349-R352 IonicContact OE2-CZ 3.88Å; E349-R352 IonicContact OE2-NE 3.13Å; E349-R352 PolarHBondContact OE2-NE 3.16Å; E349-R352 IonicContact OE2-NH2 3.19Å; E349-Y353 HydrophobicContact CB-CE2 4.22Å; E349-Y353 WeakPolarHBondContact O-CD2 3.33Å; E349-Y353 PolarHBondContact O-N 2.88Å; E349-R377 IonicContact OE1-CZ 2.65Å; E349-R377 IonicContact OE1-NE 3.17Å; E349-R377 IonicContact OE1-NH2 2.95Å; E349-R377 PolarHBondContact OE1-NH2 3.46Å; E349-F615 HydrophobicContact CB-CB 4.08Å
350	I	83.5	Confident	89.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-43.7	173.9	-72.2	-179.2	0	0	0	110.1	P298 L299 F327 F332 I347 G348 R352 Y353 L354	P298-I350 HydrophobicContact CG-CD1 4.21Å; L299-I350 HydrophobicContact CD2-CD1 3.36Å; F327-I350 HydrophobicContact CD2-CD1 3.85Å; F327-I350 HydrophobicContact CD2-CG1 4.09Å; F327-I350 HydrophobicContact CE1-CG1 4.4Å; F327-I350 HydrophobicContact CE2-CB 4.25Å; F327-I350 HydrophobicContact CE2-CD1 3.94Å; F327-I350 HydrophobicContact CE2-CG1 3.8Å; F327-I350 HydrophobicContact CE2-CG2 3.64Å; F327-I350 HydrophobicContact CG-CD1 4.43Å; F327-I350 HydrophobicContact CZ-CB 4.31Å; F327-I350 HydrophobicContact CZ-CG1 3.97Å; F327-I350 HydrophobicContact CZ-CG2 3.95Å; F332-I350 HydrophobicContact CD2-CG2 4.22Å; F332-I350 HydrophobicContact CE2-CG2 3.85Å; I347-I350 HydrophobicContact CG1-CB 4.48Å; I347-I350 HydrophobicContact CG1-CD1 3.93Å; I347-I350 HydrophobicContact CG1-CG1 3.86Å; I347-I350 WeakPolarHBondContact O-CB 3.48Å; I347-I350 PolarHBondContact O-N 2.95Å; G348-I350 VanDerWaalsContact C-N 3.3Å; G348-I350 PolarHBondContact O-N 3.17Å; I350-R352 PolarHBondContact O-N 3.45Å; I350-Y353 PolarHBondContact O-N 2.89Å; I350-L354 HydrophobicContact CG2-CD1 3.75Å; I350-L354 HydrophobicContact CG2-CG 4.13Å; I350-L354 WeakPolarHBondContact O-CG 3.34Å; I350-L354 PolarHBondContact O-N 2.87Å
351	C	85.5	Confident	89.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-36.9	178.8	-62.4	0	0	0	0	111.8	G348 E349 L355 L376 I380 F384	G348-C351 WeakPolarHBondContact O-CB 3.49Å; G348-C351 PolarHBondContact O-N 2.94Å; G348-C351 VanDerWaalsContact O-N 3.17Å; E349-C351 VanDerWaalsContact C-N 3.31Å; E349-C351 PolarHBondContact O-N 2.97Å; C351-L355 WeakPolarHBondContact O-CG 3.42Å; C351-L355 PolarHBondContact O-N 3.26Å; C351-L355 VanDerWaalsContact O-N 3.11Å; C351-L376 HydrophobicContact CB-CD1 3.58Å; C351-I380 HydrophobicContact CB-CD1 4.04Å; C351-F384 HydrophobicContact CB-CD2 3.68Å; C351-F384 HydrophobicContact CB-CE2 3.87Å; C351-F384 HydrophobicContact CB-CG 4.36Å
352	R	80	Confident	89.7	Confident	17 Å²	17	32 Å²	32	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-52.8	172.4	-171.1	-169.6	66	81.6	-4.5	111.3	G348 E349 I350 L354 L355 C356 I380 T545 T547 E570	G348-R352 PolarHBondContact O-N 2.87Å; E349-R352 WeakPolarHBondContact O-CB 3.09Å; E349-R352 PolarHBondContact O-N 3.03Å; E349-R352 IonicContact OE2-CZ 3.88Å; E349-R352 IonicContact OE2-NE 3.13Å; E349-R352 PolarHBondContact OE2-NE 3.16Å; E349-R352 IonicContact OE2-NH2 3.19Å; I350-R352 PolarHBondContact O-N 3.45Å; R352-L354 PolarHBondContact O-N 3.3Å; R352-L355 WeakPolarHBondContact O-CB 3.38Å; R352-L355 PolarHBondContact O-N 3.17Å; R352-C356 PolarHBondContact O-N 3.14Å; R352-C356 PolarHBondContact O-SG 3.11Å; R352-I380 HydrophobicContact CB-CD1 4.06Å; R352-T545 PolarHBondContact NH1-O 2.86Å; R352-T547 PolarHBondContact NH2-OG1 2.94Å; R352-E570 IonicContact NH1-OE1 3.02Å; R352-E570 IonicContact NH2-OE1 3.4Å; R352-E570 PolarHBondContact NH2-OE1 3.14Å
353	Y	81	Confident	89.6	Confident	29 Å²	29	30.7 Å²	30.7	11%	0.114	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-37	179.5	-72.7	-51.4	0	0	0	113	F327 E349 I350 C356 Q357 M611 F615	F327-Y353 AromaticContact CE1-CD2 3.73Å; F327-Y353 HydrophobicContact CE1-CD2 3.73Å; F327-Y353 HydrophobicContact CE1-CG 4.15Å; F327-Y353 HydrophobicContact CZ-CD2 4.31Å; E349-Y353 HydrophobicContact CB-CE2 4.22Å; E349-Y353 WeakPolarHBondContact O-CD2 3.33Å; E349-Y353 PolarHBondContact O-N 2.88Å; I350-Y353 PolarHBondContact O-N 2.89Å; Y353-C356 PolarHBondContact O-N 2.85Å; Y353-Q357 WeakPolarHBondContact O-CG 3.44Å; Y353-Q357 PolarHBondContact O-N 3.16Å; Y353-Q357 PolarHBondContact O-NE2 2.87Å; Y353-M611 WeakPolarHBondContact OH-CE 3.49Å; Y353-M611 PolarHBondContact OH-SD 3.1Å; Y353-F615 HydrophobicContact CE2-CB 3.61Å; Y353-F615 HydrophobicContact CE2-CD1 4.01Å; Y353-F615 HydrophobicContact CE2-CD2 4.31Å; Y353-F615 AromaticContact CE2-CG 3.73Å; Y353-F615 HydrophobicContact CE2-CG 3.73Å
354	L	90.5	Very high	89.6	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-46.2	176	-66.2	173.9	0	0	0	111.3	F332 W333 I350 R352 C356 Q357 F384 F388	F332-L354 HydrophobicContact CB-CD2 3.39Å; F332-L354 HydrophobicContact CD1-CD1 3.83Å; F332-L354 HydrophobicContact CD1-CD2 3.98Å; F332-L354 HydrophobicContact CD2-CD1 3.91Å; F332-L354 HydrophobicContact CD2-CD2 3.96Å; F332-L354 HydrophobicContact CD2-CG 4.46Å; F332-L354 HydrophobicContact CE1-CD1 3.84Å; F332-L354 HydrophobicContact CE2-CD1 3.91Å; F332-L354 HydrophobicContact CG-CD1 3.89Å; F332-L354 HydrophobicContact CG-CD2 3.52Å; F332-L354 HydrophobicContact CG-CG 4.33Å; F332-L354 HydrophobicContact CZ-CD1 3.88Å; W333-L354 HydrophobicContact CZ2-CD1 4.09Å; I350-L354 HydrophobicContact CG2-CD1 3.75Å; I350-L354 HydrophobicContact CG2-CG 4.13Å; I350-L354 WeakPolarHBondContact O-CG 3.34Å; I350-L354 PolarHBondContact O-N 2.87Å; R352-L354 PolarHBondContact O-N 3.3Å; L354-C356 PolarHBondContact O-N 3.43Å; L354-Q357 WeakPolarHBondContact O-CB 3.38Å; L354-Q357 PolarHBondContact O-N 3.16Å; L354-F384 HydrophobicContact CB-CE2 4.37Å; L354-F384 HydrophobicContact CD1-CE2 3.91Å; L354-F384 HydrophobicContact CD1-CZ 4.45Å; L354-F388 HydrophobicContact CB-CE2 3.9Å; L354-F388 HydrophobicContact CB-CZ 3.84Å; L354-F388 WeakPolarHBondContact O-CZ 3.37Å
355	L	86.9	Confident	89.5	Confident	44 Å²	44	41.8 Å²	41.8	23%	0.23	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-29.5	175.2	-79.1	171.9	0	0	0	113.4	C351 R352 Q357 I380 A383 F384 R387 F388	C351-L355 WeakPolarHBondContact O-CG 3.42Å; C351-L355 PolarHBondContact O-N 3.26Å; C351-L355 VanDerWaalsContact O-N 3.11Å; R352-L355 WeakPolarHBondContact O-CB 3.38Å; R352-L355 PolarHBondContact O-N 3.17Å; L355-Q357 VanDerWaalsContact C-N 3.28Å; L355-Q357 PolarHBondContact O-N 3.25Å; L355-I380 HydrophobicContact CD1-CB 3.77Å; L355-I380 HydrophobicContact CD1-CG2 4.41Å; L355-A383 HydrophobicContact CD1-CB 4.22Å; L355-A383 HydrophobicContact CD2-CB 4.23Å; L355-F384 HydrophobicContact CD1-CB 4.15Å; L355-F384 HydrophobicContact CG-CB 4.46Å; L355-F384 HydrophobicContact CG-CD2 4.41Å; L355-R387 HydrophobicContact CD2-CB 3.91Å; L355-R387 HydrophobicContact CD2-CG 4.14Å; L355-F388 HydrophobicContact CD2-CE2 3.92Å; L355-F388 HydrophobicContact CD2-CZ 4.47Å; L355-F388 HydrophobicContact CG-CE2 4.11Å
356	C	85.1	Confident	89.5	Confident	47 Å²	47	42.5 Å²	42.5	32%	0.318	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.5	176.5	-58.7	0	0	0	0	113.2	R352 Y353 L354 T545	R352-C356 PolarHBondContact O-N 3.14Å; R352-C356 PolarHBondContact O-SG 3.11Å; Y353-C356 PolarHBondContact O-N 2.85Å; L354-C356 PolarHBondContact O-N 3.43Å; C356-T545 WeakPolarHBondContact SG-CB 3.32Å
357	Q	88.9	Confident	89.7	Confident	56 Å²	56	48.6 Å²	48.6	26%	0.262	25%	0.253	S	S	.	.	S	Bend	trans	-70.4	146.9	176.5	-65.3	-55.5	-71.5	0	0	110.8	A329 Y353 L354 L355	A329-Q357 HydrophobicContact CB-CG 4Å; Y353-Q357 WeakPolarHBondContact O-CG 3.44Å; Y353-Q357 PolarHBondContact O-N 3.16Å; Y353-Q357 PolarHBondContact O-NE2 2.87Å; L354-Q357 WeakPolarHBondContact O-CB 3.38Å; L354-Q357 PolarHBondContact O-N 3.16Å; L355-Q357 VanDerWaalsContact C-N 3.28Å; L355-Q357 PolarHBondContact O-N 3.25Å
358	P	92	Very high	90.4	Very high	86 Å²	86	48.1 Å²	48.1	56%	0.558	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-55.4	144.7	169.2	-23.9	33.2	0	0	0	111.4	R360	P358-R360 WeakPolarHBondContact O-CG 3.45Å; P358-R360 PolarHBondContact O-N 3.03Å
359	V	96.4	Very high	91.4	Very high	110 Å²	110	51 Å²	51	67%	0.667	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-54.1	124.5	176.5	168	0	0	0	0	111
360	R	95.9	Very high	92.3	Very high	87 Å²	87	50.4 Å²	50.4	33%	0.328	26%	0.256	S	S	.	.			trans	-130.5	156.6	175.6	-67.8	170.5	-168	-175.4	3.3	112.4	S330 P358 T362 D363	S330-R360 PolarHBondContact O-NH1 3.37Å; P358-R360 WeakPolarHBondContact O-CG 3.45Å; P358-R360 PolarHBondContact O-N 3.03Å; R360-T362 PolarHBondContact O-N 2.99Å; R360-D363 PolarHBondContact N-OD2 2.84Å; R360-D363 VanDerWaalsContact O-CB 3.29Å; R360-D363 WeakPolarHBondContact O-CB 3.37Å; R360-D363 VanDerWaalsContact O-CG 3.26Å; R360-D363 PolarHBondContact O-N 3.01Å
361	P	95.9	Very high	93	Very high	97 Å²	97	50.6 Å²	50.6	63%	0.63	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.6	172.4	-25.8	35.3	0	0	0	113.2	D363 K364 Q365	P361-D363 PolarHBondContact O-N 3.24Å; P361-D363 VanDerWaalsContact O-N 3.09Å; P361-K364 PolarHBondContact O-N 3.44Å; P361-Q365 VanDerWaalsContact O-CG 3.3Å; P361-Q365 WeakPolarHBondContact O-CG 3.49Å; P361-Q365 PolarHBondContact O-N 3.01Å
362	T	97.6	Very high	93.6	Very high	25 Å²	25	50.6 Å²	50.6	15%	0.153	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-23.2	-179.2	48.3	0	0	0	0	113.7	P334 R360 K364 Q365	P334-T362 HydrophobicContact CG-CG2 4.22Å; R360-T362 PolarHBondContact O-N 2.99Å; T362-K364 PolarHBondContact O-N 2.92Å; T362-K364 VanDerWaalsContact O-N 3.1Å; T362-Q365 PolarHBondContact O-N 3.09Å
363	D	96.8	Very high	94.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-21.8	-179.7	-64.9	7.8	0	0	0	112.7	R360 P361 H366 R387 F388	R360-D363 PolarHBondContact N-OD2 2.84Å; R360-D363 VanDerWaalsContact O-CB 3.29Å; R360-D363 WeakPolarHBondContact O-CB 3.37Å; R360-D363 VanDerWaalsContact O-CG 3.26Å; R360-D363 PolarHBondContact O-N 3.01Å; P361-D363 PolarHBondContact O-N 3.24Å; P361-D363 VanDerWaalsContact O-N 3.09Å; D363-H366 PolarHBondContact O-CD2 3.15Å; D363-H366 PolarHBondContact O-NE2 3.15Å; D363-H366 VanDerWaalsContact O-NE2 3.15Å; D363-R387 IonicContact OD2-CZ 2.86Å; D363-R387 IonicContact OD2-NE 3.75Å; D363-R387 PolarHBondContact OD2-NE 2.66Å; D363-R387 IonicContact OD2-NH2 3.98Å; D363-R387 PolarHBondContact OD2-NH2 3.07Å; D363-F388 HydrophobicContact CB-CD1 3.74Å; D363-F388 HydrophobicContact CB-CE1 3.98Å; D363-F388 CarbonylContact O-C 3.28Å; D363-F388 VanDerWaalsContact O-CA 3.26Å; D363-F388 WeakPolarHBondContact O-CA 3.32Å
364	K	96.9	Very high	94.6	Very high	124 Å²	124	51 Å²	51	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-127.4	-3	178.1	-62.6	-173.7	177.8	-174.7	0	114.2	P361 T362 R387 N389	P361-K364 PolarHBondContact O-N 3.44Å; T362-K364 PolarHBondContact O-N 2.92Å; T362-K364 VanDerWaalsContact O-N 3.1Å; K364-R387 WeakPolarHBondContact CE-O 3.13Å; K364-N389 HydrophobicContact CG-CB 4.28Å
365	Q	97.9	Very high	94.2	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-81.7	-14.7	179.3	-74.7	172	-26.8	0	0	113.6	V337 P361 T362	V337-Q365 HydrophobicContact CG2-CB 3.99Å; P361-Q365 VanDerWaalsContact O-CG 3.3Å; P361-Q365 WeakPolarHBondContact O-CG 3.49Å; P361-Q365 PolarHBondContact O-N 3.01Å; T362-Q365 PolarHBondContact O-N 3.09Å
366	H	97.8	Very high	94	Very high	15 Å²	15	51.2 Å²	51.2	7%	0.069	27%	0.274	C	S	.	.	S	Bend	trans	-74.4	166.6	178.6	65.9	65.3	0	0	0	112.4	W333 C336 V337 D363 V368 F388	W333-H366 AromaticContact CD2-CD2 3.8Å; W333-H366 HydrophobicContact CE3-CB 4.44Å; W333-H366 AromaticContact CE3-CD2 3.05Å; W333-H366 AromaticContact CE3-CG 3.8Å; W333-H366 AromaticContact CE3-NE2 3.4Å; W333-H366 AromaticContact CH2-NE2 3.72Å; W333-H366 AromaticContact CZ3-CD2 3.31Å; W333-H366 WeakPolarHBondContact CZ3-CD2 3.46Å; W333-H366 AromaticContact CZ3-CE1 3.73Å; W333-H366 AromaticContact CZ3-CG 3.91Å; W333-H366 AromaticContact CZ3-NE2 3.16Å; W333-H366 WeakPolarHBondContact CZ3-NE2 3.18Å; C336-H366 HydrophobicContact CB-CB 3.99Å; V337-H366 HydrophobicContact CG2-CB 4.04Å; D363-H366 PolarHBondContact O-CD2 3.15Å; D363-H366 PolarHBondContact O-NE2 3.15Å; D363-H366 VanDerWaalsContact O-NE2 3.15Å; H366-V368 HydrophobicContact CB-CG2 4.38Å; H366-V368 PolarHBondContact ND1-N 3.07Å; H366-V368 VanDerWaalsContact ND1-N 3.2Å; H366-F388 PolarHBondContact CE1-O 3.2Å; H366-F388 PolarHBondContact NE2-O 2.93Å
367	H	97.1	Very high	93.7	Very high	132 Å²	132	51.7 Å²	51.7	61%	0.611	27%	0.269	S	S	*	.			trans	-108.4	16.8	178	-61.3	90.2	0	0	0	113.4	C341 R369	C341-H367 CarbonylContact O-C 3.49Å; H367-R369 PolarHBondContact O-N 2.8Å; H367-R369 VanDerWaalsContact O-N 3.08Å
368	V	98.5	Very high	93.3	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.036	27%	0.273	C	S	.	.			trans	-59.9	112.2	177.7	-178.8	0	0	0	0	110.5	W333 C336 C341 T342 A344 H366 I370 V390	W333-V368 HydrophobicContact CZ3-CB 4.45Å; W333-V368 HydrophobicContact CZ3-CG2 4.19Å; C336-V368 HydrophobicContact CB-CG2 4.14Å; C341-V368 HydrophobicContact CB-CG2 4.41Å; C341-V368 PolarHBondContact O-N 3.34Å; T342-V368 CarbonylContact O-C 3.59Å; T342-V368 WeakPolarHBondContact O-CA 3.33Å; A344-V368 HydrophobicContact CB-CG1 3.91Å; A344-V368 HydrophobicContact CB-CG2 4.38Å; H366-V368 HydrophobicContact CB-CG2 4.38Å; H366-V368 PolarHBondContact ND1-N 3.07Å; H366-V368 VanDerWaalsContact ND1-N 3.2Å; V368-I370 WeakPolarHBondContact CG1-O 3.34Å; V368-V390 HydrophobicContact CG1-CG1 4.5Å; V368-V390 HydrophobicContact CG1-CG2 4.33Å
369	R	97.2	Very high	92.6	Very high	68 Å²	68	51 Å²	51	26%	0.257	26%	0.264	S	S	.	.			trans	-92.6	-28.3	177.9	55.2	169.1	-163	97.2	0.2	112.7	G288 D293 T342 H367 Q392	G288-R369 PolarHBondContact O-NH2 2.92Å; D293-R369 IonicContact OD1-CZ 2.9Å; D293-R369 IonicContact OD1-NE 2.69Å; D293-R369 PolarHBondContact OD1-NE 3.28Å; D293-R369 VanDerWaalsContact OD1-NE 3.08Å; D293-R369 IonicContact OD1-NH2 3.67Å; D293-R369 PolarHBondContact OD1-NH2 3.41Å; D293-R369 IonicContact OD2-CZ 2.99Å; D293-R369 IonicContact OD2-NE 3.22Å; D293-R369 IonicContact OD2-NH2 3.81Å; D293-R369 PolarHBondContact OD2-NH2 3.07Å; T342-R369 WeakPolarHBondContact O-CG 3.36Å; T342-R369 PolarHBondContact O-N 3.24Å; H367-R369 PolarHBondContact O-N 2.8Å; H367-R369 VanDerWaalsContact O-N 3.08Å; R369-Q392 PolarHBondContact O-N 3.28Å
370	I	97.3	Very high	91.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.8	-179.7	-59.8	-172.7	0	0	0	108.8	F287 V343 A344 V368 F372 Q392	F287-I370 HydrophobicContact CB-CG2 4.46Å; F287-I370 WeakPolarHBondContact O-CD1 3.3Å; V343-I370 VanDerWaalsContact CA-O 3.32Å; V343-I370 WeakPolarHBondContact CA-O 3.31Å; A344-I370 PolarHBondContact N-O 3.44Å; V368-I370 WeakPolarHBondContact CG1-O 3.34Å; I370-F372 HydrophobicContact CG2-CB 4.24Å; I370-Q392 WeakPolarHBondContact CA-O 3.39Å; I370-Q392 HydrophobicContact CG1-CB 4.11Å; I370-Q392 HydrophobicContact CG1-CG 4.26Å
371	A	97.6	Very high	91.4	Very high	3 Å²	3	43.3 Å²	43.3	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.2	157.6	0	0	0	0	0	108	A344 Y346 F384 V390 Q392 I393 G394	A344-A371 CarbonylContact O-C 3.56Å; A344-A371 WeakPolarHBondContact O-CA 2.81Å; Y346-A371 HydrophobicContact CD1-CB 3.94Å; Y346-A371 HydrophobicContact CE1-CB 4.22Å; A371-F384 HydrophobicContact CB-CE1 4.43Å; A371-V390 HydrophobicContact CB-CG1 3.84Å; A371-Q392 PolarHBondContact N-O 3.46Å; A371-I393 HydrophobicContact CB-CD1 3.93Å; A371-I393 CarbonylContact O-C 3.56Å; A371-I393 WeakPolarHBondContact O-CA 3.31Å; A371-G394 PolarHBondContact O-N 3.17Å
372	F	97.2	Very high	91.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.5	179	79.8	-83.4	0	0	0	111.5	T283 F287 I289 I295 C309 V343 A344 Q345 Y346 I370 G394 F396	T283-F372 HydrophobicContact CG2-CD2 3.59Å; T283-F372 HydrophobicContact CG2-CE2 3.33Å; T283-F372 HydrophobicContact CG2-CG 4.46Å; T283-F372 HydrophobicContact CG2-CZ 4.01Å; F287-F372 HydrophobicContact CD2-CB 3.68Å; F287-F372 HydrophobicContact CD2-CD2 4.01Å; F287-F372 AromaticContact CD2-CG 3.98Å; F287-F372 HydrophobicContact CD2-CG 3.98Å; F287-F372 HydrophobicContact CE2-CB 3.88Å; F287-F372 HydrophobicContact CE2-CD2 4.02Å; F287-F372 HydrophobicContact CE2-CG 4.28Å; F287-F372 HydrophobicContact CG-CB 4.1Å; F287-F372 HydrophobicContact CZ-CB 4.46Å; I289-F372 HydrophobicContact CD1-CE1 4.18Å; I289-F372 HydrophobicContact CD1-CZ 4.41Å; I295-F372 HydrophobicContact CG2-CE1 4.23Å; C309-F372 HydrophobicContact CB-CE2 4.21Å; V343-F372 HydrophobicContact CG1-CD1 3.51Å; V343-F372 HydrophobicContact CG1-CE1 3.57Å; A344-F372 PolarHBondContact O-N 2.9Å; Q345-F372 CarbonylContact C-O 3.6Å; Q345-F372 VanDerWaalsContact CA-O 3.28Å; Q345-F372 WeakPolarHBondContact CA-O 3.34Å; Q345-F372 HydrophobicContact CB-CE1 4.11Å; Q345-F372 HydrophobicContact CB-CZ 4.03Å; Q345-F372 HydrophobicContact CG-CD2 4.4Å; Q345-F372 HydrophobicContact CG-CE1 4.22Å; Q345-F372 HydrophobicContact CG-CE2 3.82Å; Q345-F372 HydrophobicContact CG-CZ 3.73Å; Y346-F372 VanDerWaalsContact CD1-C 3.43Å; Y346-F372 WeakPolarHBondContact CD1-O 3.16Å; Y346-F372 PolarHBondContact N-O 3.27Å; I370-F372 HydrophobicContact CG2-CB 4.24Å; F372-G394 CarbonylContact C-O 3.57Å; F372-G394 WeakPolarHBondContact CA-O 3.12Å; F372-G394 WeakPolarHBondContact CB-O 3.15Å; F372-F396 AromaticContact CD2-CE1 4Å; F372-F396 HydrophobicContact CD2-CE1 4Å; F372-F396 HydrophobicContact CE2-CE1 4.48Å
373	G	94	Very high	90.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169	-162.4	-170.4	0	0	0	0	0	113	Y346 G394 E395 F396	Y346-G373 WeakPolarHBondContact O-CA 3.42Å; G373-G394 PolarHBondContact N-O 3.45Å; G373-E395 WeakPolarHBondContact O-CA 3.47Å; G373-F396 WeakPolarHBondContact O-CD1 3.4Å; G373-F396 WeakPolarHBondContact O-CE1 3.38Å; G373-F396 PolarHBondContact O-N 2.94Å
374	N	88.8	Confident	90.5	Very high	55 Å²	55	45.1 Å²	45.1	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.5	-179.4	68	-73	0	0	0	112.4	I347 G348 E395 F396	I347-N374 CarbonylContact C-O 3.43Å; I347-N374 WeakPolarHBondContact CA-O 3.45Å; G348-N374 PolarHBondContact N-O 2.85Å; N374-E395 WeakPolarHBondContact CA-OE1 3.31Å; N374-F396 HydrophobicContact CB-CD2 4.41Å; N374-F396 HydrophobicContact CB-CE2 4.18Å; N374-F396 HydrophobicContact CB-CZ 4.3Å; N374-F396 WeakPolarHBondContact CB-O 3.33Å
375	G	83.1	Confident	90.4	Very high	42 Å²	42	41.2 Å²	41.2	43%	0.433	21%	0.212	S	C	.	.			trans	84.4	17.6	178.9	0	0	0	0	0	115.1	G348 R377 E395	G348-G375 WeakPolarHBondContact CA-O 3.45Å; G375-R377 PolarHBondContact O-N 3.38Å; G375-E395 PolarHBondContact N-OE1 3.18Å
376	L	82.6	Confident	90.3	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.047	22%	0.218	C	C	.	.			trans	-66.8	118.6	177.3	-177.3	59.6	0	0	0	110.5	Y346 C351 I380 W381 I393 E395	Y346-L376 HydrophobicContact CE2-CB 3.74Å; C351-L376 HydrophobicContact CB-CD1 3.58Å; L376-I380 HydrophobicContact CD1-CD1 3.83Å; L376-I380 HydrophobicContact CD1-CG1 3.79Å; L376-W381 HydrophobicContact CB-CE3 4.5Å; L376-W381 HydrophobicContact CD2-CB 3.81Å; L376-W381 HydrophobicContact CD2-CD2 3.52Å; L376-W381 HydrophobicContact CD2-CE3 3.68Å; L376-W381 HydrophobicContact CD2-CG 3.61Å; L376-W381 HydrophobicContact CD2-CZ3 4.39Å; L376-W381 HydrophobicContact CG-CB 4.1Å; L376-W381 HydrophobicContact CG-CD2 4.31Å; L376-W381 HydrophobicContact CG-CE3 4.09Å; L376-W381 HydrophobicContact CG-CG 4.36Å; L376-I393 HydrophobicContact CD2-CG2 3.67Å; L376-E395 WeakPolarHBondContact CB-OE2 3.42Å; L376-E395 PolarHBondContact N-OE1 2.87Å; L376-E395 PolarHBondContact N-OE2 3.35Å
377	R	77.8	Confident	90.2	Very high	56 Å²	56	45.2 Å²	45.2	21%	0.211	23%	0.228	C	C	.	.			trans	-71.7	136.3	179	-44.7	-174.5	-172.3	-169.4	1.8	110.2	E349 G375 Q379 I380 W381 D540	E349-R377 IonicContact OE1-CZ 2.65Å; E349-R377 IonicContact OE1-NE 3.17Å; E349-R377 IonicContact OE1-NH2 2.95Å; E349-R377 PolarHBondContact OE1-NH2 3.46Å; G375-R377 PolarHBondContact O-N 3.38Å; R377-Q379 PolarHBondContact O-N 2.86Å; R377-I380 HydrophobicContact CB-CG1 4.31Å; R377-I380 WeakPolarHBondContact O-CG1 3.39Å; R377-I380 PolarHBondContact O-N 2.79Å; R377-W381 PolarHBondContact O-N 2.9Å; R377-D540 IonicContact CZ-OD2 2.73Å; R377-D540 IonicContact NH1-OD1 3.05Å; R377-D540 PolarHBondContact NH1-OD1 3.26Å; R377-D540 IonicContact NH1-OD2 2.99Å; R377-D540 PolarHBondContact NH1-OD2 3.28Å
378	P	80.4	Confident	90.2	Very high	53 Å²	53	39 Å²	39	34%	0.344	20%	0.199	S	C	.	.	H	α-helix	trans	-56.3	-36.3	-178.6	-26.1	33.6	0	0	0	113.4	I380 W381 F413	P378-I380 VanDerWaalsContact C-N 3.25Å; P378-I380 PolarHBondContact O-N 2.8Å; P378-W381 PolarHBondContact O-N 2.92Å; P378-F413 HydrophobicContact CB-CE1 4.13Å; P378-F413 HydrophobicContact CB-CZ 4.24Å; P378-F413 WeakPolarHBondContact O-CE2 3.2Å; P378-F413 WeakPolarHBondContact O-CZ 3.31Å
379	Q	77.6	Confident	90.1	Very high	76 Å²	76	43 Å²	43	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-32.2	-173.7	-41.1	82	11.2	0	0	112.3	R377 R537	R377-Q379 PolarHBondContact O-N 2.86Å; Q379-R537 HydrophobicContact CG-CG 4.5Å
380	I	80.4	Confident	90.1	Very high	32 Å²	32	39.9 Å²	39.9	16%	0.164	21%	0.208	C	C	.	.	H	α-helix	trans	-94.8	-12.3	-178.5	67.5	167.4	0	0	0	113.5	C351 R352 L355 L376 R377 P378 A383 F384	C351-I380 HydrophobicContact CB-CD1 4.04Å; R352-I380 HydrophobicContact CB-CD1 4.06Å; L355-I380 HydrophobicContact CD1-CB 3.77Å; L355-I380 HydrophobicContact CD1-CG2 4.41Å; L376-I380 HydrophobicContact CD1-CD1 3.83Å; L376-I380 HydrophobicContact CD1-CG1 3.79Å; R377-I380 HydrophobicContact CB-CG1 4.31Å; R377-I380 WeakPolarHBondContact O-CG1 3.39Å; R377-I380 PolarHBondContact O-N 2.79Å; P378-I380 VanDerWaalsContact C-N 3.25Å; P378-I380 PolarHBondContact O-N 2.8Å; I380-A383 PolarHBondContact O-N 3.49Å; I380-F384 WeakPolarHBondContact O-CB 3.18Å; I380-F384 PolarHBondContact O-N 2.79Å
381	W	86.3	Confident	89.9	Confident	2 Å²	2	48 Å²	48	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-48.9	-172.1	179.6	-31.4	0	0	0	112.3	L376 R377 P378 F384 Q385 I393 E395 N411 F413	L376-W381 HydrophobicContact CB-CE3 4.5Å; L376-W381 HydrophobicContact CD2-CB 3.81Å; L376-W381 HydrophobicContact CD2-CD2 3.52Å; L376-W381 HydrophobicContact CD2-CE3 3.68Å; L376-W381 HydrophobicContact CD2-CG 3.61Å; L376-W381 HydrophobicContact CD2-CZ3 4.39Å; L376-W381 HydrophobicContact CG-CB 4.1Å; L376-W381 HydrophobicContact CG-CD2 4.31Å; L376-W381 HydrophobicContact CG-CE3 4.09Å; L376-W381 HydrophobicContact CG-CG 4.36Å; R377-W381 PolarHBondContact O-N 2.9Å; P378-W381 PolarHBondContact O-N 2.92Å; W381-F384 WeakPolarHBondContact O-CB 2.8Å; W381-F384 PolarHBondContact O-N 3.32Å; W381-Q385 VanDerWaalsContact CD1-OE1 3.25Å; W381-Q385 PolarHBondContact O-N 3.3Å; W381-I393 HydrophobicContact CD2-CG2 4.46Å; W381-I393 HydrophobicContact CH2-CB 4.42Å; W381-I393 HydrophobicContact CH2-CG2 4.07Å; W381-I393 HydrophobicContact CZ2-CB 3.56Å; W381-I393 HydrophobicContact CZ2-CG1 4.31Å; W381-I393 HydrophobicContact CZ2-CG2 3.66Å; W381-E395 HydrophobicContact CH2-CB 4.05Å; W381-E395 HydrophobicContact CZ3-CB 4.25Å; W381-N411 WeakPolarHBondContact CZ2-OD1 2.97Å; W381-F413 HydrophobicContact CB-CD2 4.15Å; W381-F413 HydrophobicContact CB-CE2 3.6Å; W381-F413 HydrophobicContact CB-CZ 4.48Å; W381-F413 HydrophobicContact CD2-CD2 4.09Å; W381-F413 HydrophobicContact CD2-CE2 4.42Å; W381-F413 AromaticContact CG-CD2 3.83Å; W381-F413 HydrophobicContact CG-CD2 3.83Å; W381-F413 AromaticContact CG-CE2 3.81Å; W381-F413 HydrophobicContact CG-CE2 3.81Å
382	K	90.2	Very high	89.7	Confident	121 Å²	121	50.5 Å²	50.5	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-48.5	-179.9	-63.9	-169.6	-178.1	171.6	0	111.4	F384 Q385 E386 F413	K382-F384 PolarHBondContact O-N 3.19Å; K382-Q385 PolarHBondContact O-N 3.39Å; K382-Q385 VanDerWaalsContact O-N 3.13Å; K382-E386 WeakPolarHBondContact O-CB 3.37Å; K382-E386 WeakPolarHBondContact O-CG 3.36Å; K382-E386 PolarHBondContact O-N 3.42Å; K382-F413 HydrophobicContact CB-CE2 4.4Å; K382-F413 HydrophobicContact CD-CE2 4.21Å; K382-F413 HydrophobicContact CD-CZ 4.36Å; K382-F413 HydrophobicContact CG-CD2 3.99Å; K382-F413 HydrophobicContact CG-CE2 3.34Å; K382-F413 HydrophobicContact CG-CZ 3.86Å
383	A	90.4	Very high	89.7	Confident	42 Å²	42	50.5 Å²	50.5	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-56.1	-41.6	177.4	0	0	0	0	0	111.4	L355 I380 R387	L355-A383 HydrophobicContact CD1-CB 4.22Å; L355-A383 HydrophobicContact CD2-CB 4.23Å; I380-A383 PolarHBondContact O-N 3.49Å; A383-R387 WeakPolarHBondContact O-CB 3.4Å; A383-R387 PolarHBondContact O-N 3.05Å
384	F	92.1	Very high	89.7	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-49.9	175.9	-176.6	-88.1	0	0	0	112.1	W333 C351 L354 L355 A371 I380 W381 K382 E386 R387 F388 V390 I393	W333-F384 HydrophobicContact CH2-CZ 4.22Å; W333-F384 HydrophobicContact CZ2-CE2 4.31Å; W333-F384 HydrophobicContact CZ2-CZ 4.05Å; C351-F384 HydrophobicContact CB-CD2 3.68Å; C351-F384 HydrophobicContact CB-CE2 3.87Å; C351-F384 HydrophobicContact CB-CG 4.36Å; L354-F384 HydrophobicContact CB-CE2 4.37Å; L354-F384 HydrophobicContact CD1-CE2 3.91Å; L354-F384 HydrophobicContact CD1-CZ 4.45Å; L355-F384 HydrophobicContact CD1-CB 4.15Å; L355-F384 HydrophobicContact CG-CB 4.46Å; L355-F384 HydrophobicContact CG-CD2 4.41Å; A371-F384 HydrophobicContact CB-CE1 4.43Å; I380-F384 WeakPolarHBondContact O-CB 3.18Å; I380-F384 PolarHBondContact O-N 2.79Å; W381-F384 WeakPolarHBondContact O-CB 2.8Å; W381-F384 PolarHBondContact O-N 3.32Å; K382-F384 PolarHBondContact O-N 3.19Å; F384-E386 PolarHBondContact O-N 3.39Å; F384-R387 PolarHBondContact O-N 3.11Å; F384-F388 HydrophobicContact CD1-CD2 4.36Å; F384-F388 AromaticContact CD2-CD2 3.48Å; F384-F388 HydrophobicContact CD2-CD2 3.48Å; F384-F388 VanDerWaalsContact CD2-CD2 3.48Å; F384-F388 AromaticContact CD2-CE2 3.59Å; F384-F388 HydrophobicContact CD2-CE2 3.59Å; F384-F388 HydrophobicContact CE1-CD2 4.38Å; F384-F388 AromaticContact CE2-CD2 3.48Å; F384-F388 HydrophobicContact CE2-CD2 3.48Å; F384-F388 VanDerWaalsContact CE2-CD2 3.48Å; F384-F388 AromaticContact CE2-CE2 3.71Å; F384-F388 HydrophobicContact CE2-CE2 3.71Å; F384-F388 AromaticContact CG-CD2 3.93Å; F384-F388 HydrophobicContact CG-CD2 3.93Å; F384-F388 HydrophobicContact CG-CE2 4.38Å; F384-F388 AromaticContact CZ-CD2 3.96Å; F384-F388 HydrophobicContact CZ-CD2 3.96Å; F384-F388 VanDerWaalsContact O-CD2 3.29Å; F384-F388 WeakPolarHBondContact O-CD2 3.14Å; F384-F388 PolarHBondContact O-N 3.31Å; F384-V390 HydrophobicContact CE1-CB 4.35Å; F384-V390 HydrophobicContact CE1-CG2 4.19Å; F384-I393 HydrophobicContact CD1-CD1 3.94Å; F384-I393 HydrophobicContact CE1-CD1 3.89Å
385	Q	94.8	Very high	90	Very high	41 Å²	41	48 Å²	48	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-42	179.6	-68.9	-162	-92.7	0	0	112.3	W381 K382 N389 V390 K391 I393	W381-Q385 VanDerWaalsContact CD1-OE1 3.25Å; W381-Q385 PolarHBondContact O-N 3.3Å; K382-Q385 PolarHBondContact O-N 3.39Å; K382-Q385 VanDerWaalsContact O-N 3.13Å; Q385-N389 VanDerWaalsContact O-CA 3.27Å; Q385-N389 WeakPolarHBondContact O-CA 3.25Å; Q385-N389 PolarHBondContact O-N 3.4Å; Q385-V390 PolarHBondContact NE2-O 3.26Å; Q385-K391 PolarHBondContact NE2-O 2.91Å; Q385-K391 VanDerWaalsContact NE2-O 3.17Å; Q385-I393 HydrophobicContact CG-CD1 4.14Å; Q385-I393 HydrophobicContact CG-CG1 3.71Å
386	E	94.4	Very high	90.5	Very high	139 Å²	139	47.5 Å²	47.5	65%	0.65	23%	0.227	S	C	*	.	H	α-helix	trans	-68.1	-42.6	179.6	-71.4	169.7	-171	0	0	112.3	K382 F384	K382-E386 WeakPolarHBondContact O-CB 3.37Å; K382-E386 WeakPolarHBondContact O-CG 3.36Å; K382-E386 PolarHBondContact O-N 3.42Å; F384-E386 PolarHBondContact O-N 3.39Å
387	R	96.2	Very high	91.1	Very high	70 Å²	70	48.2 Å²	48.2	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-50.6	179.2	-179.7	72.5	-152.7	149.2	14.3	111.2	L355 D363 K364 A383 F384	L355-R387 HydrophobicContact CD2-CB 3.91Å; L355-R387 HydrophobicContact CD2-CG 4.14Å; D363-R387 IonicContact OD2-CZ 2.86Å; D363-R387 IonicContact OD2-NE 3.75Å; D363-R387 PolarHBondContact OD2-NE 2.66Å; D363-R387 IonicContact OD2-NH2 3.98Å; D363-R387 PolarHBondContact OD2-NH2 3.07Å; K364-R387 WeakPolarHBondContact CE-O 3.13Å; A383-R387 WeakPolarHBondContact O-CB 3.4Å; A383-R387 PolarHBondContact O-N 3.05Å; F384-R387 PolarHBondContact O-N 3.11Å
388	F	97.7	Very high	91.6	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-103.5	1.5	-168.6	-55.2	-62.1	0	0	0	114.4	W333 L354 L355 D363 H366 F384 V390	W333-F388 AromaticContact CD1-CD1 3.88Å; W333-F388 AromaticContact CD1-CE1 3.68Å; W333-F388 HydrophobicContact CD2-CD1 4.23Å; W333-F388 AromaticContact CE2-CD1 3.3Å; W333-F388 AromaticContact CE2-CE1 3.69Å; W333-F388 AromaticContact CE2-CG 3.64Å; W333-F388 HydrophobicContact CH2-CB 3.77Å; W333-F388 HydrophobicContact CH2-CD1 4.46Å; W333-F388 HydrophobicContact CH2-CG 4.04Å; W333-F388 HydrophobicContact CZ2-CB 3.49Å; W333-F388 VanDerWaalsContact CZ2-CB 3.49Å; W333-F388 AromaticContact CZ2-CD1 3.46Å; W333-F388 HydrophobicContact CZ2-CD1 3.46Å; W333-F388 VanDerWaalsContact CZ2-CD1 3.46Å; W333-F388 AromaticContact CZ2-CD2 3.65Å; W333-F388 HydrophobicContact CZ2-CD2 3.65Å; W333-F388 HydrophobicContact CZ2-CE1 4.09Å; W333-F388 HydrophobicContact CZ2-CE2 4.24Å; W333-F388 AromaticContact CZ2-CG 3.22Å; W333-F388 HydrophobicContact CZ2-CG 3.22Å; W333-F388 HydrophobicContact CZ2-CZ 4.44Å; W333-F388 AromaticContact NE1-CD1 3.08Å; W333-F388 AromaticContact NE1-CE1 2.95Å; W333-F388 AromaticContact NE1-CG 3.81Å; W333-F388 AromaticContact NE1-CZ 3.56Å; L354-F388 HydrophobicContact CB-CE2 3.9Å; L354-F388 HydrophobicContact CB-CZ 3.84Å; L354-F388 WeakPolarHBondContact O-CZ 3.37Å; L355-F388 HydrophobicContact CD2-CE2 3.92Å; L355-F388 HydrophobicContact CD2-CZ 4.47Å; L355-F388 HydrophobicContact CG-CE2 4.11Å; D363-F388 HydrophobicContact CB-CD1 3.74Å; D363-F388 HydrophobicContact CB-CE1 3.98Å; D363-F388 CarbonylContact O-C 3.28Å; D363-F388 VanDerWaalsContact O-CA 3.26Å; D363-F388 WeakPolarHBondContact O-CA 3.32Å; H366-F388 PolarHBondContact CE1-O 3.2Å; H366-F388 PolarHBondContact NE2-O 2.93Å; F384-F388 HydrophobicContact CD1-CD2 4.36Å; F384-F388 AromaticContact CD2-CD2 3.48Å; F384-F388 HydrophobicContact CD2-CD2 3.48Å; F384-F388 VanDerWaalsContact CD2-CD2 3.48Å; F384-F388 AromaticContact CD2-CE2 3.59Å; F384-F388 HydrophobicContact CD2-CE2 3.59Å; F384-F388 HydrophobicContact CE1-CD2 4.38Å; F384-F388 AromaticContact CE2-CD2 3.48Å; F384-F388 HydrophobicContact CE2-CD2 3.48Å; F384-F388 VanDerWaalsContact CE2-CD2 3.48Å; F384-F388 AromaticContact CE2-CE2 3.71Å; F384-F388 HydrophobicContact CE2-CE2 3.71Å; F384-F388 AromaticContact CG-CD2 3.93Å; F384-F388 HydrophobicContact CG-CD2 3.93Å; F384-F388 HydrophobicContact CG-CE2 4.38Å; F384-F388 AromaticContact CZ-CD2 3.96Å; F384-F388 HydrophobicContact CZ-CD2 3.96Å; F384-F388 VanDerWaalsContact O-CD2 3.29Å; F384-F388 WeakPolarHBondContact O-CD2 3.14Å; F384-F388 PolarHBondContact O-N 3.31Å; F388-V390 HydrophobicContact CB-CG2 4.13Å; F388-V390 PolarHBondContact O-N 3.28Å; F388-V390 VanDerWaalsContact O-N 3.14Å
389	N	96.2	Very high	91.9	Very high	91 Å²	91	45.7 Å²	45.7	49%	0.487	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	35.2	178.9	-168	31.1	0	0	0	113.7	K364 Q385 K391	K364-N389 HydrophobicContact CG-CB 4.28Å; Q385-N389 VanDerWaalsContact O-CA 3.27Å; Q385-N389 WeakPolarHBondContact O-CA 3.25Å; Q385-N389 PolarHBondContact O-N 3.4Å; N389-K391 PolarHBondContact O-N 3.48Å
390	V	96.7	Very high	92.4	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.216	C	C	.	.			trans	-88.1	106.8	174.9	-179.1	0	0	0	0	108.9	W333 V368 A371 F384 Q385 F388 Q392 I393	W333-V390 HydrophobicContact CH2-CG2 3.96Å; V368-V390 HydrophobicContact CG1-CG1 4.5Å; V368-V390 HydrophobicContact CG1-CG2 4.33Å; A371-V390 HydrophobicContact CB-CG1 3.84Å; F384-V390 HydrophobicContact CE1-CB 4.35Å; F384-V390 HydrophobicContact CE1-CG2 4.19Å; Q385-V390 PolarHBondContact NE2-O 3.26Å; F388-V390 HydrophobicContact CB-CG2 4.13Å; F388-V390 PolarHBondContact O-N 3.28Å; F388-V390 VanDerWaalsContact O-N 3.14Å; V390-Q392 PolarHBondContact O-N 3.3Å; V390-I393 HydrophobicContact CB-CD1 4.39Å; V390-I393 HydrophobicContact CG1-CD1 3.89Å
391	K	92.6	Very high	92.8	Very high	170 Å²	170	41.9 Å²	41.9	74%	0.739	21%	0.211	S	C	*	.			trans	-66.3	-35.1	-171.9	-66.5	-175.3	178.8	-177.6	0	114	Q385 N389	Q385-K391 PolarHBondContact NE2-O 2.91Å; Q385-K391 VanDerWaalsContact NE2-O 3.17Å; N389-K391 PolarHBondContact O-N 3.48Å
392	Q	95.4	Very high	92.7	Very high	56 Å²	56	41.8 Å²	41.8	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	-176.4	178.7	176.5	10.4	0	0	110.5	R369 I370 A371 V390 M409	R369-Q392 PolarHBondContact O-N 3.28Å; I370-Q392 WeakPolarHBondContact CA-O 3.39Å; I370-Q392 HydrophobicContact CG1-CB 4.11Å; I370-Q392 HydrophobicContact CG1-CG 4.26Å; A371-Q392 PolarHBondContact N-O 3.46Å; V390-Q392 PolarHBondContact O-N 3.3Å; Q392-M409 PolarHBondContact NE2-O 3.36Å
393	I	95.8	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.4	167	-56.3	-57.2	0	0	0	108	Y346 A371 L376 W381 F384 Q385 V390 N411	Y346-I393 HydrophobicContact CE1-CG2 4.02Å; Y346-I393 VanDerWaalsContact OH-CG2 3.24Å; Y346-I393 WeakPolarHBondContact OH-CG2 3.03Å; A371-I393 HydrophobicContact CB-CD1 3.93Å; A371-I393 CarbonylContact O-C 3.56Å; A371-I393 WeakPolarHBondContact O-CA 3.31Å; L376-I393 HydrophobicContact CD2-CG2 3.67Å; W381-I393 HydrophobicContact CD2-CG2 4.46Å; W381-I393 HydrophobicContact CH2-CB 4.42Å; W381-I393 HydrophobicContact CH2-CG2 4.07Å; W381-I393 HydrophobicContact CZ2-CB 3.56Å; W381-I393 HydrophobicContact CZ2-CG1 4.31Å; W381-I393 HydrophobicContact CZ2-CG2 3.66Å; F384-I393 HydrophobicContact CD1-CD1 3.94Å; F384-I393 HydrophobicContact CE1-CD1 3.89Å; Q385-I393 HydrophobicContact CG-CD1 4.14Å; Q385-I393 HydrophobicContact CG-CG1 3.71Å; V390-I393 HydrophobicContact CB-CD1 4.39Å; V390-I393 HydrophobicContact CG1-CD1 3.89Å; I393-N411 WeakPolarHBondContact CA-OD1 3.26Å; I393-N411 VanDerWaalsContact CB-OD1 3.31Å; I393-N411 WeakPolarHBondContact CB-OD1 3.41Å; I393-N411 PolarHBondContact N-OD1 3.23Å; I393-N411 PolarHBondContact O-OD1 3.37Å
394	G	95.3	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	89.4	173.6	0	0	0	0	0	110.6	F287 A371 F372 G373	F287-G394 VanDerWaalsContact CD1-CA 3.47Å; F287-G394 VanDerWaalsContact CE1-C 3.44Å; F287-G394 WeakPolarHBondContact CZ-O 3.09Å; A371-G394 PolarHBondContact O-N 3.17Å; F372-G394 CarbonylContact C-O 3.57Å; F372-G394 WeakPolarHBondContact CA-O 3.12Å; F372-G394 WeakPolarHBondContact CB-O 3.15Å; G373-G394 PolarHBondContact N-O 3.45Å
395	E	94.7	Very high	92.7	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.8	174.8	-176.5	71.5	-167.1	0	0	109.2	Y346 G373 N374 G375 L376 W381 N408 V416	Y346-E395 WeakPolarHBondContact CE2-OE2 3.35Å; Y346-E395 PolarHBondContact OH-OE2 3.43Å; G373-E395 WeakPolarHBondContact O-CA 3.47Å; N374-E395 WeakPolarHBondContact CA-OE1 3.31Å; G375-E395 PolarHBondContact N-OE1 3.18Å; L376-E395 WeakPolarHBondContact CB-OE2 3.42Å; L376-E395 PolarHBondContact N-OE1 2.87Å; L376-E395 PolarHBondContact N-OE2 3.35Å; W381-E395 HydrophobicContact CH2-CB 4.05Å; W381-E395 HydrophobicContact CZ3-CB 4.25Å; E395-N408 HydrophobicContact CB-CB 4.2Å; E395-N408 WeakPolarHBondContact O-CB 3.38Å; E395-N408 PolarHBondContact O-N 3.03Å; E395-V416 HydrophobicContact CG-CB 4.24Å; E395-V416 HydrophobicContact CG-CG1 4.15Å
396	F	94	Very high	92.7	Very high	31 Å²	31	35 Å²	35	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.8	167.5	64.3	-87.9	0	0	0	111.1	F287 F372 G373 N374 I406 A407	F287-F396 AromaticContact CE2-CD1 3.74Å; F287-F396 HydrophobicContact CE2-CD1 3.74Å; F287-F396 HydrophobicContact CZ-CB 4.01Å; F287-F396 AromaticContact CZ-CD1 3.88Å; F287-F396 HydrophobicContact CZ-CD1 3.88Å; F287-F396 HydrophobicContact CZ-CG 4.42Å; F372-F396 AromaticContact CD2-CE1 4Å; F372-F396 HydrophobicContact CD2-CE1 4Å; F372-F396 HydrophobicContact CE2-CE1 4.48Å; G373-F396 WeakPolarHBondContact O-CD1 3.4Å; G373-F396 WeakPolarHBondContact O-CE1 3.38Å; G373-F396 PolarHBondContact O-N 2.94Å; N374-F396 HydrophobicContact CB-CD2 4.41Å; N374-F396 HydrophobicContact CB-CE2 4.18Å; N374-F396 HydrophobicContact CB-CZ 4.3Å; N374-F396 WeakPolarHBondContact CB-O 3.33Å; F396-I406 WeakPolarHBondContact CA-O 3.45Å; F396-I406 WeakPolarHBondContact CB-O 3.46Å; F396-A407 HydrophobicContact CB-CB 4.17Å
397	Y	93.6	Very high	92.7	Very high	24 Å²	24	28.9 Å²	28.9	9%	0.094	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.2	170.3	168.6	-85.1	0	0	0	110.1	N405 I406 V416 L461 S501 D503 M505	Y397-N405 WeakPolarHBondContact O-CA 3.45Å; Y397-I406 HydrophobicContact CD1-CD1 4.35Å; Y397-I406 HydrophobicContact CD1-CG1 4.01Å; Y397-I406 HydrophobicContact CG-CG1 4.33Å; Y397-I406 PolarHBondContact N-O 3.1Å; Y397-I406 PolarHBondContact O-N 3.17Å; Y397-V416 PolarHBondContact N-O 2.82Å; Y397-L461 HydrophobicContact CD1-CD2 3.98Å; Y397-L461 HydrophobicContact CE1-CD2 3.36Å; Y397-S501 WeakPolarHBondContact OH-CB 3.46Å; Y397-D503 PolarHBondContact OH-OD2 2.84Å; Y397-M505 HydrophobicContact CD1-CE 4.19Å; Y397-M505 HydrophobicContact CD2-CE 3.37Å; Y397-M505 HydrophobicContact CE1-CE 3.96Å; Y397-M505 HydrophobicContact CE2-CE 3.05Å; Y397-M505 HydrophobicContact CG-CE 3.91Å
398	G	89.9	Confident	92.7	Very high	27 Å²	27	25.5 Å²	25.5	28%	0.278	14%	0.136	S	C	.	.			trans	-179	163.9	173.6	0	0	0	0	0	110.9
399	A	86.8	Confident	92.5	Very high	30 Å²	30	26.8 Å²	26.8	25%	0.248	14%	0.142	C	C	.	.			trans	-124.9	152.9	170.9	0	0	0	0	0	109.8	R275 E401 S402	R275-A399 PolarHBondContact NH2-O 3.19Å; A399-E401 PolarHBondContact O-N 3.23Å; A399-E401 VanDerWaalsContact O-N 3.14Å; A399-S402 WeakPolarHBondContact O-CB 3.37Å; A399-S402 PolarHBondContact O-N 3.38Å
400	T	87	Confident	92.3	Very high	18 Å²	18	25.5 Å²	25.5	11%	0.11	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.3	-173.4	-58.2	0	0	0	0	113.2	V257 A269 V271 R275 T304	V257-T400 HydrophobicContact CB-CG2 3.7Å; V257-T400 HydrophobicContact CG1-CG2 3.8Å; V257-T400 HydrophobicContact CG2-CG2 4.43Å; A269-T400 HydrophobicContact CB-CG2 3.56Å; V271-T400 HydrophobicContact CG2-CG2 4.09Å; R275-T400 PolarHBondContact NE-O 3.22Å; R275-T400 VanDerWaalsContact NH2-C 3.31Å; R275-T400 PolarHBondContact NH2-O 2.84Å; T304-T400 WeakPolarHBondContact OG1-CG2 3.35Å; T304-T400 PolarHBondContact OG1-OG1 2.95Å
401	E	88.4	Confident	92.1	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.047	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.7	177.6	72.9	-77.1	-175.1	0	0	114	A269 A399 F474 Y477 F499	A269-E401 HydrophobicContact CB-CB 4.21Å; A399-E401 PolarHBondContact O-N 3.23Å; A399-E401 VanDerWaalsContact O-N 3.14Å; E401-F474 HydrophobicContact CB-CE2 4.17Å; E401-F474 HydrophobicContact CG-CE2 4.05Å; E401-F474 WeakPolarHBondContact O-CD2 3.49Å; E401-F474 WeakPolarHBondContact O-CE2 3.09Å; E401-Y477 HydrophobicContact CB-CE1 4.03Å; E401-Y477 HydrophobicContact CG-CE1 4.07Å; E401-Y477 HydrophobicContact CG-CE2 4.15Å; E401-Y477 WeakPolarHBondContact CG-OH 2.91Å; E401-Y477 PolarHBondContact OE1-OH 3.24Å; E401-F499 HydrophobicContact CG-CE2 3.96Å; E401-F499 HydrophobicContact CG-CZ 4.22Å
402	S	85.6	Confident	92.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.			trans	-83.9	143.8	-163.9	-176.8	0	0	0	0	115.2	R275 A399 A404 N405 F499	R275-S402 PolarHBondContact NH1-O 3.42Å; R275-S402 VanDerWaalsContact NH1-O 3.17Å; R275-S402 PolarHBondContact NH2-O 2.87Å; A399-S402 WeakPolarHBondContact O-CB 3.37Å; A399-S402 PolarHBondContact O-N 3.38Å; S402-A404 VanDerWaalsContact OG-CB 3.3Å; S402-A404 WeakPolarHBondContact OG-CB 3.21Å; S402-A404 PolarHBondContact OG-N 3.05Å; S402-N405 PolarHBondContact O-ND2 3.29Å; S402-N405 VanDerWaalsContact O-ND2 3.12Å; S402-F499 WeakPolarHBondContact OG-CD1 3.48Å; S402-F499 WeakPolarHBondContact OG-CE1 3.49Å
403	N	90.8	Very high	92	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	-86.9	-6.3	164.2	62.5	-10.3	0	0	0	113.4	N405 A463 R464 R472 M473 F499	N403-N405 PolarHBondContact O-N 3.17Å; N403-N405 VanDerWaalsContact O-N 3.16Å; N403-N405 PolarHBondContact O-ND2 2.88Å; N403-A463 WeakPolarHBondContact OD1-CB 3.44Å; N403-R464 PolarHBondContact ND2-O 3.05Å; N403-R472 PolarHBondContact ND2-O 2.96Å; N403-M473 WeakPolarHBondContact CB-O 3.44Å; N403-F499 WeakPolarHBondContact OD1-CB 3.46Å
404	A	89.2	Confident	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-82.3	85.6	176.8	0	0	0	0	0	110.4	S402 L461 A463 F499	S402-A404 VanDerWaalsContact OG-CB 3.3Å; S402-A404 WeakPolarHBondContact OG-CB 3.21Å; S402-A404 PolarHBondContact OG-N 3.05Å; A404-L461 HydrophobicContact CB-CD2 4.43Å; A404-A463 HydrophobicContact CB-CB 3.5Å; A404-F499 HydrophobicContact CB-CD1 4.25Å
405	N	91.3	Very high	91.7	Very high	51 Å²	51	25 Å²	25	27%	0.273	14%	0.138	S	C	.	.			trans	-118.4	115.3	-179.9	-59.2	-81.8	0	0	0	109.9	Y397 S402 N403 Y427	Y397-N405 WeakPolarHBondContact O-CA 3.45Å; S402-N405 PolarHBondContact O-ND2 3.29Å; S402-N405 VanDerWaalsContact O-ND2 3.12Å; N403-N405 PolarHBondContact O-N 3.17Å; N403-N405 VanDerWaalsContact O-N 3.16Å; N403-N405 PolarHBondContact O-ND2 2.88Å; N405-Y427 PolarHBondContact N-OH 3.23Å; N405-Y427 WeakPolarHBondContact O-CE1 3.33Å; N405-Y427 VanDerWaalsContact O-CZ 3.27Å; N405-Y427 PolarHBondContact O-OH 3.12Å
406	I	94.5	Very high	91.6	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150	178.3	58.7	177.7	0	0	0	109.3	F396 Y397 V416 V419 Y427 I513	F396-I406 WeakPolarHBondContact CA-O 3.45Å; F396-I406 WeakPolarHBondContact CB-O 3.46Å; Y397-I406 HydrophobicContact CD1-CD1 4.35Å; Y397-I406 HydrophobicContact CD1-CG1 4.01Å; Y397-I406 HydrophobicContact CG-CG1 4.33Å; Y397-I406 PolarHBondContact N-O 3.1Å; Y397-I406 PolarHBondContact O-N 3.17Å; I406-V416 HydrophobicContact CD1-CG2 4.17Å; I406-V419 HydrophobicContact CG2-CG1 4.43Å; I406-Y427 HydrophobicContact CG2-CE1 4.1Å; I406-I513 HydrophobicContact CD1-CB 3.74Å; I406-I513 HydrophobicContact CD1-CD1 3.65Å; I406-I513 HydrophobicContact CD1-CG1 4.25Å; I406-I513 HydrophobicContact CD1-CG2 3.77Å
407	A	95.8	Very high	91.7	Very high	11 Å²	11	24 Å²	24	9%	0.091	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.3	-177.4	0	0	0	0	0	111	F287 F396 M409 G417 Y418	F287-A407 HydrophobicContact CE1-CB 4.45Å; F287-A407 HydrophobicContact CZ-CB 4.28Å; F396-A407 HydrophobicContact CB-CB 4.17Å; A407-M409 HydrophobicContact CB-CE 4.2Å; A407-M409 HydrophobicContact CB-CG 4.29Å; A407-M409 PolarHBondContact O-N 3.32Å; A407-G417 VanDerWaalsContact C-CA 3.42Å; A407-Y418 VanDerWaalsContact O-CD1 3.31Å; A407-Y418 WeakPolarHBondContact O-CD1 3.11Å
408	N	96.1	Very high	91.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	94.1	172.2	-179.7	-4	0	0	0	108.2	E395 D410 N411 K412 A415	E395-N408 HydrophobicContact CB-CB 4.2Å; E395-N408 WeakPolarHBondContact O-CB 3.38Å; E395-N408 PolarHBondContact O-N 3.03Å; N408-D410 PolarHBondContact OD1-OD1 3.44Å; N408-D410 VanDerWaalsContact OD1-OD1 3.13Å; N408-N411 PolarHBondContact OD1-N 3.11Å; N408-N411 VanDerWaalsContact OD1-N 3.15Å; N408-K412 PolarHBondContact ND2-N 3.17Å; N408-K412 PolarHBondContact ND2-O 2.66Å; N408-K412 PolarHBondContact OD1-N 3.36Å; N408-A415 PolarHBondContact ND2-O 3.02Å
409	M	93.4	Very high	92	Very high	27 Å²	27	23.4 Å²	23.4	13%	0.133	13%	0.126	C	C	.	.			trans	-86.3	-22.7	-172.6	-56	-178.6	-166.6	0	0	112.7	V59 C63 S286 Q392 A407 Y418	V59-M409 HydrophobicContact CG1-SD 4.47Å; C63-M409 HydrophobicContact CB-CE 4.11Å; C63-M409 HydrophobicContact CB-SD 4.18Å; S286-M409 WeakPolarHBondContact O-CG 3.45Å; Q392-M409 PolarHBondContact NE2-O 3.36Å; A407-M409 HydrophobicContact CB-CE 4.2Å; A407-M409 HydrophobicContact CB-CG 4.29Å; A407-M409 PolarHBondContact O-N 3.32Å; M409-Y418 HydrophobicContact CG-CE1 4.26Å; M409-Y418 HydrophobicContact SD-CE1 4.4Å
410	D	92.2	Very high	92.3	Very high	65 Å²	65	23.1 Å²	23.1	35%	0.348	12%	0.121	S	C	.	.	S	Bend	trans	-107.9	15.4	-171.9	62.4	-18.4	0	0	0	113.3	R56 N408 K412 Y512	R56-D410 VanDerWaalsContact CD-OD2 3.29Å; R56-D410 WeakPolarHBondContact CD-OD2 3.46Å; R56-D410 WeakPolarHBondContact CG-OD2 3.17Å; N408-D410 PolarHBondContact OD1-OD1 3.44Å; N408-D410 VanDerWaalsContact OD1-OD1 3.13Å; D410-K412 VanDerWaalsContact C-N 3.28Å; D410-K412 PolarHBondContact O-N 2.87Å; D410-Y512 PolarHBondContact OD2-OH 3.38Å
411	N	92	Very high	92.4	Very high	44 Å²	44	23.6 Å²	23.6	24%	0.235	12%	0.122	C	C	.	.			trans	61.2	33	174.3	-165.8	56.7	0	0	0	113	W381 I393 N408 F413	W381-N411 WeakPolarHBondContact CZ2-OD1 2.97Å; I393-N411 WeakPolarHBondContact CA-OD1 3.26Å; I393-N411 VanDerWaalsContact CB-OD1 3.31Å; I393-N411 WeakPolarHBondContact CB-OD1 3.41Å; I393-N411 PolarHBondContact N-OD1 3.23Å; I393-N411 PolarHBondContact O-OD1 3.37Å; N408-N411 PolarHBondContact OD1-N 3.11Å; N408-N411 VanDerWaalsContact OD1-N 3.15Å; N411-F413 PolarHBondContact O-N 3.17Å; N411-F413 VanDerWaalsContact O-N 3.14Å
412	K	94.7	Very high	92.5	Very high	78 Å²	78	24.2 Å²	24.2	34%	0.339	13%	0.126	S	C	.	.			trans	-64.9	112.9	176.2	176.5	68	174.3	-179.2	0	110	N408 D410 G414 A415 Y512 Y514	N408-K412 PolarHBondContact ND2-N 3.17Å; N408-K412 PolarHBondContact ND2-O 2.66Å; N408-K412 PolarHBondContact OD1-N 3.36Å; D410-K412 VanDerWaalsContact C-N 3.28Å; D410-K412 PolarHBondContact O-N 2.87Å; K412-G414 PolarHBondContact O-N 2.87Å; K412-A415 HydrophobicContact CB-CB 4.07Å; K412-A415 HydrophobicContact CG-CB 3.82Å; K412-A415 PolarHBondContact O-N 3.06Å; K412-A415 VanDerWaalsContact O-N 3.13Å; K412-Y512 HydrophobicContact CB-CD1 3.74Å; K412-Y512 HydrophobicContact CB-CE1 3.38Å; K412-Y512 HydrophobicContact CB-CG 4.47Å; K412-Y512 HydrophobicContact CD-CD2 4.27Å; K412-Y512 HydrophobicContact CD-CE1 4.31Å; K412-Y512 HydrophobicContact CD-CE2 3.99Å; K412-Y512 HydrophobicContact CG-CD1 3.6Å; K412-Y512 HydrophobicContact CG-CD2 4.05Å; K412-Y512 HydrophobicContact CG-CE1 3.59Å; K412-Y512 HydrophobicContact CG-CE2 4.03Å; K412-Y512 HydrophobicContact CG-CG 3.83Å; K412-Y514 WeakPolarHBondContact CE-OH 3.34Å
413	F	91.9	Very high	92.4	Very high	83 Å²	83	27.7 Å²	27.7	36%	0.364	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	125.7	-176.3	-176.3	-100.4	0	0	0	113.6	P378 W381 K382 N411 A415	P378-F413 HydrophobicContact CB-CE1 4.13Å; P378-F413 HydrophobicContact CB-CZ 4.24Å; P378-F413 WeakPolarHBondContact O-CE2 3.2Å; P378-F413 WeakPolarHBondContact O-CZ 3.31Å; W381-F413 HydrophobicContact CB-CD2 4.15Å; W381-F413 HydrophobicContact CB-CE2 3.6Å; W381-F413 HydrophobicContact CB-CZ 4.48Å; W381-F413 HydrophobicContact CD2-CD2 4.09Å; W381-F413 HydrophobicContact CD2-CE2 4.42Å; W381-F413 AromaticContact CG-CD2 3.83Å; W381-F413 HydrophobicContact CG-CD2 3.83Å; W381-F413 AromaticContact CG-CE2 3.81Å; W381-F413 HydrophobicContact CG-CE2 3.81Å; K382-F413 HydrophobicContact CB-CE2 4.4Å; K382-F413 HydrophobicContact CD-CE2 4.21Å; K382-F413 HydrophobicContact CD-CZ 4.36Å; K382-F413 HydrophobicContact CG-CD2 3.99Å; K382-F413 HydrophobicContact CG-CE2 3.34Å; K382-F413 HydrophobicContact CG-CZ 3.86Å; N411-F413 PolarHBondContact O-N 3.17Å; N411-F413 VanDerWaalsContact O-N 3.14Å; F413-A415 PolarHBondContact O-N 3.02Å
414	G	87.9	Confident	92.1	Very high	12 Å²	12	29.1 Å²	29.1	12%	0.124	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-12.4	176.3	0	0	0	0	0	115.9	K412 Y514	K412-G414 PolarHBondContact O-N 2.87Å; G414-Y514 WeakPolarHBondContact O-CD1 3.39Å
415	A	95.1	Very high	91.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.			trans	-75.5	140.8	175.3	0	0	0	0	0	110.6	N408 K412 F413 Y512 I513 Y514	N408-A415 PolarHBondContact ND2-O 3.02Å; K412-A415 HydrophobicContact CB-CB 4.07Å; K412-A415 HydrophobicContact CG-CB 3.82Å; K412-A415 PolarHBondContact O-N 3.06Å; K412-A415 VanDerWaalsContact O-N 3.13Å; F413-A415 PolarHBondContact O-N 3.02Å; A415-Y512 HydrophobicContact CB-CD1 4.02Å; A415-Y512 HydrophobicContact CB-CG 4.36Å; A415-I513 WeakPolarHBondContact CA-O 3.2Å; A415-Y514 HydrophobicContact CB-CD1 4.22Å; A415-Y514 HydrophobicContact CB-CE1 3.82Å
416	V	93.6	Very high	91.5	Very high	13 Å²	13	33.7 Å²	33.7	8%	0.079	18%	0.178	C	C	.	.			trans	-95	-10.2	174.8	-60.2	0	0	0	0	112.7	E395 Y397 I406 M505 I513 F515	E395-V416 HydrophobicContact CG-CB 4.24Å; E395-V416 HydrophobicContact CG-CG1 4.15Å; Y397-V416 PolarHBondContact N-O 2.82Å; I406-V416 HydrophobicContact CD1-CG2 4.17Å; V416-M505 HydrophobicContact CG2-SD 4.45Å; V416-I513 HydrophobicContact CG2-CG2 4.29Å; V416-I513 WeakPolarHBondContact CG2-O 3.37Å; V416-I513 PolarHBondContact N-O 2.75Å; V416-F515 HydrophobicContact CG1-CB 4.08Å
417	G	95.8	Very high	91.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-167.8	173.6	0	0	0	0	0	111.9	A407 Y512 I513	A407-G417 VanDerWaalsContact C-CA 3.42Å; G417-Y512 WeakPolarHBondContact O-CA 3.21Å; G417-I513 PolarHBondContact O-N 2.87Å
418	Y	95.6	Very high	90.9	Very high	22 Å²	22	35.6 Å²	35.6	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.5	175.4	72.7	-81.7	0	0	0	112.2	R56 D57 G60 A407 M409 G511	R56-Y418 HydrophobicContact CG-CD1 4.5Å; R56-Y418 HydrophobicContact CG-CD2 4.46Å; R56-Y418 HydrophobicContact CG-CE1 4.05Å; R56-Y418 HydrophobicContact CG-CE2 3.97Å; R56-Y418 VanDerWaalsContact CZ-CD2 3.48Å; R56-Y418 VanDerWaalsContact NE-CD2 3.3Å; R56-Y418 PolarHBondContact O-OH 2.8Å; D57-Y418 WeakPolarHBondContact OD1-CE2 3.39Å; G60-Y418 WeakPolarHBondContact CA-OH 3.49Å; G60-Y418 PolarHBondContact N-OH 3.19Å; A407-Y418 VanDerWaalsContact O-CD1 3.31Å; A407-Y418 WeakPolarHBondContact O-CD1 3.11Å; M409-Y418 HydrophobicContact CG-CE1 4.26Å; M409-Y418 HydrophobicContact SD-CE1 4.4Å; Y418-G511 CarbonylContact C-O 3.51Å; Y418-G511 WeakPolarHBondContact CA-O 3.41Å; Y418-G511 WeakPolarHBondContact CB-O 3.41Å
419	V	93.9	Very high	90.8	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.103	19%	0.186	C	C	.	.			trans	-123.3	136.3	165.7	-68.1	0	0	0	0	108.8	I406 K421 Y427 C429 G511 I513	I406-V419 HydrophobicContact CG2-CG1 4.43Å; V419-K421 PolarHBondContact O-N 3.01Å; V419-Y427 HydrophobicContact CG1-CD1 4.47Å; V419-C429 HydrophobicContact CG1-CB 4.09Å; V419-G511 PolarHBondContact N-O 2.72Å; V419-G511 WeakPolarHBondContact O-CA 3.47Å; V419-I513 HydrophobicContact CG1-CD1 3.93Å; V419-I513 HydrophobicContact CG2-CD1 4.15Å
420	S	93	Very high	90.9	Very high	23 Å²	23	36 Å²	36	16%	0.161	19%	0.185	C	C	.	.			trans	-66.8	127.6	179.1	177.3	0	0	0	0	110.3	D57 I422 L423	D57-S420 VanDerWaalsContact CG-OG 3.28Å; D57-S420 WeakPolarHBondContact OD2-CB 3.29Å; D57-S420 PolarHBondContact OD2-OG 2.99Å; S420-I422 PolarHBondContact OG-N 3.48Å; S420-L423 PolarHBondContact OG-N 3.28Å
421	K	90.4	Very high	91.1	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.122	17%	0.172	C	C	.	.	S	Bend	trans	-82.6	-22.6	169.8	-60.6	-66.9	178	171.4	0	111.7	I4 I49 V419	I4-K421 WeakPolarHBondContact CD1-O 3.44Å; I49-K421 HydrophobicContact CG2-CB 3.91Å; V419-K421 PolarHBondContact O-N 3.01Å
422	I	88.8	Confident	91.4	Very high	24 Å²	24	31.4 Å²	31.4	12%	0.123	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-43.9	176.5	-54.8	172.2	0	0	0	110.5	F50 T53 I54 D57 S420	F50-I422 HydrophobicContact CB-CD1 4.4Å; F50-I422 HydrophobicContact CD2-CD1 3.75Å; F50-I422 HydrophobicContact CD2-CG1 4.23Å; F50-I422 HydrophobicContact CD2-CG2 4.07Å; F50-I422 HydrophobicContact CE2-CD1 4.36Å; F50-I422 HydrophobicContact CE2-CG2 4.34Å; F50-I422 HydrophobicContact CG-CD1 4.3Å; T53-I422 WeakPolarHBondContact OG1-CD1 3.47Å; I54-I422 HydrophobicContact CB-CD1 4.23Å; I54-I422 HydrophobicContact CD1-CD1 4.03Å; D57-I422 HydrophobicContact CB-CD1 4.49Å; D57-I422 WeakPolarHBondContact OD2-CD1 3.29Å; S420-I422 PolarHBondContact OG-N 3.48Å
423	L	84.9	Confident	91.4	Very high	73 Å²	73	30.2 Å²	30.2	38%	0.382	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	53.4	-178.6	-59.4	177	0	0	0	111.5	L61 S420 G425 F426	L61-L423 HydrophobicContact CD1-CD1 4.36Å; L61-L423 HydrophobicContact CD2-CD1 4.37Å; S420-L423 PolarHBondContact OG-N 3.28Å; L423-G425 PolarHBondContact O-N 2.92Å; L423-F426 HydrophobicContact CB-CB 4.1Å; L423-F426 WeakPolarHBondContact O-CB 3.44Å; L423-F426 PolarHBondContact O-N 2.79Å; L423-F426 VanDerWaalsContact O-N 3.14Å
424	D	83.3	Confident	91.4	Very high	34 Å²	34	27.3 Å²	27.3	18%	0.182	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	137.8	-177.3	-171	33.8	0	0	0	112.2	M1 H2 F426 Y430	M1-D424 VanDerWaalsContact C-OD2 3.3Å; M1-D424 WeakPolarHBondContact CA-OD2 3.43Å; M1-D424 PolarHBondContact N-OD2 3.16Å; H2-D424 PolarHBondContact N-OD2 3.38Å; H2-D424 VanDerWaalsContact N-OD2 3.15Å; D424-F426 PolarHBondContact O-N 3.15Å; D424-Y430 WeakPolarHBondContact OD1-CE1 3.46Å; D424-Y430 PolarHBondContact OD1-OH 3.21Å; D424-Y430 VanDerWaalsContact OD1-OH 3.07Å
425	G	83	Confident	91.2	Very high	31 Å²	31	29.5 Å²	29.5	32%	0.32	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-9.5	-176.6	0	0	0	0	0	116.3	L423 Y430	L423-G425 PolarHBondContact O-N 2.92Å; G425-Y430 WeakPolarHBondContact CA-OH 3.48Å; G425-Y430 PolarHBondContact N-OH 2.83Å
426	F	84.6	Confident	90.1	Very high	116 Å²	116	33.4 Å²	33.4	51%	0.509	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-45.6	174.8	-170.9	-104.4	0	0	0	111.3	L61 L64 L423 D424	L61-F426 HydrophobicContact CD1-CE1 3.73Å; L61-F426 HydrophobicContact CD1-CZ 3.77Å; L64-F426 HydrophobicContact CB-CE1 4.31Å; L64-F426 HydrophobicContact CD1-CD1 3.85Å; L64-F426 HydrophobicContact CD1-CE1 3.61Å; L423-F426 HydrophobicContact CB-CB 4.1Å; L423-F426 WeakPolarHBondContact O-CB 3.44Å; L423-F426 PolarHBondContact O-N 2.79Å; L423-F426 VanDerWaalsContact O-N 3.14Å; D424-F426 PolarHBondContact O-N 3.15Å
427	Y	88.6	Confident	88.9	Confident	45 Å²	45	37.2 Å²	37.2	18%	0.176	20%	0.196	C	C	.	.	S	Bend	trans	-115	93.3	171.2	-160.3	-99	0	0	0	109.2	L64 N405 I406 V419 C429 F471	L64-Y427 HydrophobicContact CD1-CD2 4.27Å; L64-Y427 HydrophobicContact CD2-CD2 4.07Å; L64-Y427 HydrophobicContact CD2-CE2 4.18Å; N405-Y427 PolarHBondContact N-OH 3.23Å; N405-Y427 WeakPolarHBondContact O-CE1 3.33Å; N405-Y427 VanDerWaalsContact O-CZ 3.27Å; N405-Y427 PolarHBondContact O-OH 3.12Å; I406-Y427 HydrophobicContact CG2-CE1 4.1Å; V419-Y427 HydrophobicContact CG1-CD1 4.47Å; Y427-C429 HydrophobicContact CD1-CB 4.22Å; Y427-C429 HydrophobicContact CE1-CB 4.31Å; Y427-C429 WeakPolarHBondContact CE1-SG 3.42Å; Y427-C429 PolarHBondContact O-N 2.84Å; Y427-F471 HydrophobicContact CE2-CD1 4.23Å
428	P	91	Very high	88.1	Confident	13 Å²	13	41.3 Å²	41.3	8%	0.084	22%	0.221	C	C	.	.			trans	-80.5	66.2	-167.1	34.6	-38.5	0	0	0	112.2	Y430 R464 W498	P428-Y430 HydrophobicContact CB-CE2 4.06Å; P428-R464 HydrophobicContact CB-CB 3.87Å; P428-R464 HydrophobicContact CG-CB 3.7Å; P428-R464 PolarHBondContact O-N 3.07Å; P428-R464 VanDerWaalsContact O-N 3.09Å; P428-W498 HydrophobicContact CB-CH2 4.11Å; P428-W498 WeakPolarHBondContact O-CZ3 3.4Å
429	C	94	Very high	87.3	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.6	164.8	-68.8	0	0	0	0	108.3	V419 Y427 L461 V462	V419-C429 HydrophobicContact CG1-CB 4.09Å; Y427-C429 HydrophobicContact CD1-CB 4.22Å; Y427-C429 HydrophobicContact CE1-CB 4.31Å; Y427-C429 WeakPolarHBondContact CE1-SG 3.42Å; Y427-C429 PolarHBondContact O-N 2.84Å; C429-L461 HydrophobicContact CB-CD1 4.37Å; C429-V462 CarbonylContact C-O 3.46Å; C429-V462 WeakPolarHBondContact CA-O 3.45Å
430	Y	95.5	Very high	87.1	Confident	30 Å²	30	49.3 Å²	49.3	12%	0.118	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	164.2	-178	-65.1	-85.7	0	0	0	110.6	D424 G425 P428 L452 V462 L492 W498	D424-Y430 WeakPolarHBondContact OD1-CE1 3.46Å; D424-Y430 PolarHBondContact OD1-OH 3.21Å; D424-Y430 VanDerWaalsContact OD1-OH 3.07Å; G425-Y430 WeakPolarHBondContact CA-OH 3.48Å; G425-Y430 PolarHBondContact N-OH 2.83Å; P428-Y430 HydrophobicContact CB-CE2 4.06Å; Y430-L452 HydrophobicContact CD1-CD1 4.11Å; Y430-L452 HydrophobicContact CD1-CD2 4.36Å; Y430-L452 HydrophobicContact CG-CD2 4.2Å; Y430-V462 PolarHBondContact N-O 2.73Å; Y430-V462 WeakPolarHBondContact O-CG2 3.33Å; Y430-V462 PolarHBondContact O-N 2.68Å; Y430-L492 HydrophobicContact CD2-CD1 4.05Å; Y430-L492 HydrophobicContact CE2-CD1 3.76Å; Y430-W498 AromaticContact CD2-CH2 3.47Å; Y430-W498 HydrophobicContact CD2-CH2 3.47Å; Y430-W498 VanDerWaalsContact CD2-CH2 3.47Å; Y430-W498 AromaticContact CD2-CZ3 3.66Å; Y430-W498 HydrophobicContact CD2-CZ3 3.66Å; Y430-W498 AromaticContact CE2-CH2 3.79Å; Y430-W498 HydrophobicContact CE2-CH2 3.79Å; Y430-W498 HydrophobicContact CE2-CZ3 4.37Å
431	I	96.4	Very high	87.2	Confident	13 Å²	13	49 Å²	49	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.1	175.5	-55.7	-176.9	0	0	0	107.2	C453 G459 H460 L461 M505 C507	I431-C453 HydrophobicContact CB-CB 4.25Å; I431-C453 HydrophobicContact CG2-CB 3.96Å; I431-C453 PolarHBondContact O-N 2.6Å; I431-G459 VanDerWaalsContact CG2-CA 3.44Å; I431-H460 WeakPolarHBondContact CA-O 2.98Å; I431-L461 HydrophobicContact CG1-CD1 4.24Å; I431-M505 HydrophobicContact CD1-CB 3.75Å; I431-M505 HydrophobicContact CG1-CB 4.35Å; I431-C507 HydrophobicContact CD1-CB 3.54Å; I431-C507 HydrophobicContact CG1-CB 4.48Å
432	I	96.9	Very high	87.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.2	179.4	59.2	173.4	0	0	0	111	P441 C450 I451 L452 G459 H460 V462 I488 V491	I432-P441 HydrophobicContact CD1-CB 3.93Å; I432-P441 HydrophobicContact CD1-CG 3.89Å; I432-C450 HydrophobicContact CB-CB 4.41Å; I432-C450 HydrophobicContact CD1-CB 4.49Å; I432-C450 HydrophobicContact CG2-CB 4.03Å; I432-I451 CarbonylContact C-O 3.55Å; I432-I451 WeakPolarHBondContact CA-O 3.45Å; I432-L452 HydrophobicContact CG2-CD2 3.95Å; I432-G459 CarbonylContact O-C 3.45Å; I432-G459 WeakPolarHBondContact O-CA 3.4Å; I432-H460 HydrophobicContact CG1-CB 3.94Å; I432-H460 WeakPolarHBondContact CG1-O 3.18Å; I432-H460 PolarHBondContact N-O 3.19Å; I432-H460 PolarHBondContact O-N 3.37Å; I432-V462 HydrophobicContact CD1-CG1 3.75Å; I432-V462 HydrophobicContact CG1-CG1 4.06Å; I432-V462 HydrophobicContact CG1-CG2 4.43Å; I432-V462 HydrophobicContact CG2-CG2 3.82Å; I432-I488 HydrophobicContact CD1-CD1 4Å; I432-V491 HydrophobicContact CG2-CG1 3.8Å
433	K	95.7	Very high	87.9	Confident	52 Å²	52	53.9 Å²	53.9	23%	0.226	28%	0.275	C	S	.	.			trans	-66.9	139.1	171.4	-58.5	-166.5	-172.9	-135.6	0	109.4	I442 I451 L452 C453 E457	K433-I442 HydrophobicContact CB-CB 4.14Å; K433-I442 HydrophobicContact CB-CD1 4.19Å; K433-I442 HydrophobicContact CB-CG1 4.43Å; K433-I442 PolarHBondContact O-N 3.24Å; K433-I451 HydrophobicContact CB-CB 4.46Å; K433-I451 HydrophobicContact CD-CB 4.27Å; K433-I451 HydrophobicContact CD-CG2 3.76Å; K433-I451 HydrophobicContact CG-CB 4.36Å; K433-I451 HydrophobicContact CG-CG2 4.17Å; K433-I451 PolarHBondContact N-O 2.65Å; K433-L452 VanDerWaalsContact CE-O 3.26Å; K433-L452 WeakPolarHBondContact CE-O 2.9Å; K433-C453 PolarHBondContact N-SG 2.94Å; K433-E457 WeakPolarHBondContact CE-OE1 3.32Å; K433-E457 WeakPolarHBondContact CE-OE2 3.35Å; K433-E457 IonicContact NZ-OE1 3.29Å; K433-E457 PolarHBondContact NZ-OE1 3.37Å; K433-E457 IonicContact NZ-OE2 3.3Å; K433-E457 PolarHBondContact NZ-OE2 3.28Å
434	I	90.7	Very high	88.4	Confident	23 Å²	23	53 Å²	53	12%	0.118	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.8	147.9	178.1	53.9	165.9	0	0	0	109.9	V436 E440 H460 L504 L519	I434-V436 PolarHBondContact O-N 2.95Å; I434-E440 WeakPolarHBondContact CA-O 3.45Å; I434-H460 HydrophobicContact CD1-CB 4.48Å; I434-H460 HydrophobicContact CG2-CB 3.45Å; I434-H460 VanDerWaalsContact CG2-CB 3.45Å; I434-L504 HydrophobicContact CD1-CD1 3.98Å; I434-L519 HydrophobicContact CD1-CD1 4.27Å; I434-L519 HydrophobicContact CD1-CD2 3.18Å; I434-L519 HydrophobicContact CD1-CG 4.36Å
435	D	84.2	Confident	88.9	Confident	58 Å²	58	57.5 Å²	57.5	31%	0.31	30%	0.301	S	S	.	.			trans	-74.4	122.5	168.9	176.8	-77.2	0	0	0	108	N437 T438 K439 E440 I442	D435-N437 PolarHBondContact O-N 2.9Å; D435-N437 WeakPolarHBondContact OD1-CA 3.39Å; D435-N437 WeakPolarHBondContact OD1-CB 3.42Å; D435-N437 PolarHBondContact OD1-N 3.15Å; D435-T438 VanDerWaalsContact CB-OG1 3.29Å; D435-T438 WeakPolarHBondContact CB-OG1 3.4Å; D435-T438 PolarHBondContact OD1-N 3.38Å; D435-T438 PolarHBondContact OD1-OG1 2.97Å; D435-K439 WeakPolarHBondContact O-CA 3.23Å; D435-K439 PolarHBondContact O-N 3.41Å; D435-E440 PolarHBondContact N-O 3.42Å; D435-I442 HydrophobicContact CB-CG1 4.25Å
436	V	71.2	Confident	89.5	Confident	82 Å²	82	62.4 Å²	62.4	50%	0.497	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.1	-171.9	-172.2	0	0	0	0	111.8	I434 N529	I434-V436 PolarHBondContact O-N 2.95Å; V436-N529 HydrophobicContact CG1-CB 4.03Å; V436-N529 VanDerWaalsContact CG1-ND2 3.31Å; V436-N529 WeakPolarHBondContact CG1-ND2 3.32Å
437	N	68.6	Low	90.1	Very high	93 Å²	93	59.8 Å²	59.8	50%	0.497	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-50.9	-176.8	-60.7	-53.2	0	0	0	111.8	D435 R524	D435-N437 PolarHBondContact O-N 2.9Å; D435-N437 WeakPolarHBondContact OD1-CA 3.39Å; D435-N437 WeakPolarHBondContact OD1-CB 3.42Å; D435-N437 PolarHBondContact OD1-N 3.15Å; N437-R524 PolarHBondContact OD1-NH1 2.8Å
438	T	79.9	Confident	90.4	Very high	86 Å²	86	58.8 Å²	58.8	53%	0.528	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-20.2	-176.2	61.1	0	0	0	0	112.6	D435 E440	D435-T438 VanDerWaalsContact CB-OG1 3.29Å; D435-T438 WeakPolarHBondContact CB-OG1 3.4Å; D435-T438 PolarHBondContact OD1-N 3.38Å; D435-T438 PolarHBondContact OD1-OG1 2.97Å; T438-E440 PolarHBondContact O-N 3.42Å; T438-E440 PolarHBondContact OG1-N 2.82Å
439	K	79.1	Confident	90.7	Very high	81 Å²	81	59.7 Å²	59.7	35%	0.352	33%	0.326	S	S	.	.			trans	64.1	12.9	-173.6	-49.1	176.1	-176.3	-165.3	0	113.2	D435 L519	D435-K439 WeakPolarHBondContact O-CA 3.23Å; D435-K439 PolarHBondContact O-N 3.41Å; K439-L519 WeakPolarHBondContact CD-O 3.47Å; K439-L519 VanDerWaalsContact CE-O 3.23Å; K439-L519 WeakPolarHBondContact CE-O 3.47Å; K439-L519 PolarHBondContact NZ-O 3.01Å
440	E	89.6	Confident	90.9	Very high	125 Å²	125	60 Å²	60	58%	0.584	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-87.2	152.1	177.3	-71.1	-64.9	148.6	0	0	111.3	I434 D435 T438 I442	I434-E440 WeakPolarHBondContact CA-O 3.45Å; D435-E440 PolarHBondContact N-O 3.42Å; T438-E440 PolarHBondContact O-N 3.42Å; T438-E440 PolarHBondContact OG1-N 2.82Å; E440-I442 PolarHBondContact O-N 2.67Å
441	P	94.9	Very high	90.9	Very high	16 Å²	16	61.3 Å²	61.3	10%	0.104	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-58.8	131.7	173.9	-27.6	37.8	0	0	0	113.4	I432 I488	I432-P441 HydrophobicContact CD1-CB 3.93Å; I432-P441 HydrophobicContact CD1-CG 3.89Å; P441-I488 HydrophobicContact CG-CD1 3.8Å; P441-I488 HydrophobicContact CG-CG1 4.29Å; P441-I488 HydrophobicContact CG-CG2 4.05Å
442	I	95.9	Very high	90.9	Very high	68 Å²	68	62.1 Å²	62.1	35%	0.349	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-73.9	129.1	167.9	-58.7	179.2	0	0	0	108.3	K433 D435 E440 C450 I451	K433-I442 HydrophobicContact CB-CB 4.14Å; K433-I442 HydrophobicContact CB-CD1 4.19Å; K433-I442 HydrophobicContact CB-CG1 4.43Å; K433-I442 PolarHBondContact O-N 3.24Å; D435-I442 HydrophobicContact CB-CG1 4.25Å; E440-I442 PolarHBondContact O-N 2.67Å; I442-C450 WeakPolarHBondContact O-CA 3.14Å; I442-I451 HydrophobicContact CG2-CD1 3.95Å; I442-I451 PolarHBondContact O-N 3.35Å
443	R	97	Very high	90.8	Very high	88 Å²	88	63.2 Å²	63.2	33%	0.332	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-115.9	141.9	-177.7	-65.7	175.1	179	-79	-5.9	111.2	G448 L449 C450 R489 N490	R443-G448 PolarHBondContact NH1-O 2.9Å; R443-L449 CarbonylContact C-O 3.54Å; R443-L449 WeakPolarHBondContact CA-O 3.43Å; R443-L449 WeakPolarHBondContact CB-O 3.43Å; R443-C450 VanDerWaalsContact CZ-SG 3.58Å; R443-C450 PolarHBondContact NH1-SG 3.02Å; R443-R489 PolarHBondContact NH1-O 3.48Å; R443-R489 PolarHBondContact NH2-O 3Å; R443-N490 PolarHBondContact NH1-O 3.1Å
444	D	95.8	Very high	90.7	Very high	55 Å²	55	66.6 Å²	66.6	29%	0.294	36%	0.364	S	S	.	.			trans	-62.5	125.6	171.8	171.6	-96.3	0	0	0	109.7	V446 T447 G448 L449 I451	D444-V446 PolarHBondContact O-N 3.33Å; D444-V446 PolarHBondContact OD1-N 3.1Å; D444-V446 VanDerWaalsContact OD1-N 3.14Å; D444-T447 WeakPolarHBondContact CB-OG1 3.21Å; D444-T447 WeakPolarHBondContact OD1-CB 3.43Å; D444-T447 WeakPolarHBondContact OD1-CG2 3.27Å; D444-T447 PolarHBondContact OD1-N 3.15Å; D444-T447 PolarHBondContact OD1-OG1 3.4Å; D444-G448 WeakPolarHBondContact O-CA 3.43Å; D444-G448 PolarHBondContact O-N 2.9Å; D444-L449 PolarHBondContact N-O 3.4Å; D444-I451 HydrophobicContact CB-CD1 4.47Å; D444-I451 HydrophobicContact CB-CG1 4.23Å
445	P	94.8	Very high	90.7	Very high	127 Å²	127	67.3 Å²	67.3	83%	0.825	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.4	-174.1	-25.5	34.5	0	0	0	114.7
446	V	95.6	Very high	91.1	Very high	134 Å²	134	69 Å²	69	81%	0.812	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-46.4	-175.6	179.9	0	0	0	0	110.8	D444	D444-V446 PolarHBondContact O-N 3.33Å; D444-V446 PolarHBondContact OD1-N 3.1Å; D444-V446 VanDerWaalsContact OD1-N 3.14Å
447	T	96	Very high	92.1	Very high	62 Å²	62	67.9 Å²	67.9	38%	0.38	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-24.7	-175.4	64.3	0	0	0	0	112.7	D444 L449 K494	D444-T447 WeakPolarHBondContact CB-OG1 3.21Å; D444-T447 WeakPolarHBondContact OD1-CB 3.43Å; D444-T447 WeakPolarHBondContact OD1-CG2 3.27Å; D444-T447 PolarHBondContact OD1-N 3.15Å; D444-T447 PolarHBondContact OD1-OG1 3.4Å; T447-L449 PolarHBondContact O-N 2.78Å; T447-L449 PolarHBondContact OG1-N 2.83Å; T447-K494 WeakPolarHBondContact O-CE 3.41Å; T447-K494 PolarHBondContact O-NZ 3.11Å
448	G	95.7	Very high	93.1	Very high	23 Å²	23	66.7 Å²	66.7	24%	0.237	37%	0.366	C	S	.	.			trans	67.4	14.8	-171.5	0	0	0	0	0	114.3	R443 D444	R443-G448 PolarHBondContact NH1-O 2.9Å; D444-G448 WeakPolarHBondContact O-CA 3.43Å; D444-G448 PolarHBondContact O-N 2.9Å
449	L	97.6	Very high	93.7	Very high	33 Å²	33	62.6 Å²	62.6	17%	0.173	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-86.9	157.8	176	-62.3	175.6	0	0	0	110.7	R443 D444 T447 N490 L492 K494	R443-L449 CarbonylContact C-O 3.54Å; R443-L449 WeakPolarHBondContact CA-O 3.43Å; R443-L449 WeakPolarHBondContact CB-O 3.43Å; D444-L449 PolarHBondContact N-O 3.4Å; T447-L449 PolarHBondContact O-N 2.78Å; T447-L449 PolarHBondContact OG1-N 2.83Å; L449-N490 WeakPolarHBondContact CA-O 3.39Å; L449-N490 HydrophobicContact CD2-CB 4.13Å; L449-L492 WeakPolarHBondContact CD1-O 3.4Å; L449-K494 HydrophobicContact CD2-CD 4.23Å; L449-K494 HydrophobicContact CD2-CG 4.41Å
450	C	97.6	Very high	94.4	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.068	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-71.7	146.4	177.4	-59.7	0	0	0	0	110.7	I432 I442 R443 N490 V491	I432-C450 HydrophobicContact CB-CB 4.41Å; I432-C450 HydrophobicContact CD1-CB 4.49Å; I432-C450 HydrophobicContact CG2-CB 4.03Å; I442-C450 WeakPolarHBondContact O-CA 3.14Å; R443-C450 VanDerWaalsContact CZ-SG 3.58Å; R443-C450 PolarHBondContact NH1-SG 3.02Å; C450-N490 PolarHBondContact N-O 3.18Å; C450-V491 HydrophobicContact CB-CB 4.37Å; C450-V491 HydrophobicContact CB-CG1 4Å; C450-V491 PolarHBondContact N-O 3.24Å
451	I	96.5	Very high	94.7	Very high	58 Å²	58	53.4 Å²	53.4	30%	0.297	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-89.5	131.1	176.5	-54.5	-179	0	0	0	108.9	I432 K433 I442 D444	I432-I451 CarbonylContact C-O 3.55Å; I432-I451 WeakPolarHBondContact CA-O 3.45Å; K433-I451 HydrophobicContact CB-CB 4.46Å; K433-I451 HydrophobicContact CD-CB 4.27Å; K433-I451 HydrophobicContact CD-CG2 3.76Å; K433-I451 HydrophobicContact CG-CB 4.36Å; K433-I451 HydrophobicContact CG-CG2 4.17Å; K433-I451 PolarHBondContact N-O 2.65Å; I442-I451 HydrophobicContact CG2-CD1 3.95Å; I442-I451 PolarHBondContact O-N 3.35Å; D444-I451 HydrophobicContact CB-CD1 4.47Å; D444-I451 HydrophobicContact CB-CG1 4.23Å
452	L	95.6	Very high	94.8	Very high	31 Å²	31	52.6 Å²	52.6	16%	0.162	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-75.4	147.7	173.9	-65.9	-177.2	0	0	0	111	H2 Y430 I432 K433 L492	H2-L452 HydrophobicContact CB-CD1 3.62Å; Y430-L452 HydrophobicContact CD1-CD1 4.11Å; Y430-L452 HydrophobicContact CD1-CD2 4.36Å; Y430-L452 HydrophobicContact CG-CD2 4.2Å; I432-L452 HydrophobicContact CG2-CD2 3.95Å; K433-L452 VanDerWaalsContact CE-O 3.26Å; K433-L452 WeakPolarHBondContact CE-O 2.9Å; L452-L492 HydrophobicContact CD1-CD2 4.03Å; L452-L492 HydrophobicContact CD2-CD2 3.95Å; L452-L492 HydrophobicContact CG-CD2 4.04Å
453	C	95.3	Very high	94.7	Very high	23 Å²	23	49.5 Å²	49.5	16%	0.155	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-71.3	143.1	169.7	-71.1	0	0	0	0	111.1	I431 K433 E457 P458	I431-C453 HydrophobicContact CB-CB 4.25Å; I431-C453 HydrophobicContact CG2-CB 3.96Å; I431-C453 PolarHBondContact O-N 2.6Å; K433-C453 PolarHBondContact N-SG 2.94Å; C453-E457 WeakPolarHBondContact CA-OE2 3.49Å; C453-E457 HydrophobicContact CB-CB 4.07Å; C453-E457 HydrophobicContact CB-CG 4.27Å; C453-P458 PolarHBondContact SG-O 2.89Å
454	E	92.7	Very high	94.7	Very high	122 Å²	122	49.8 Å²	49.8	57%	0.57	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-71.9	164.3	167.3	-68.4	-57.4	143.7	0	0	110.8	N456 E457	E454-N456 PolarHBondContact O-N 3.07Å; E454-E457 HydrophobicContact CB-CB 4.43Å; E454-E457 PolarHBondContact N-OE2 3.42Å; E454-E457 VanDerWaalsContact O-CB 3.26Å; E454-E457 WeakPolarHBondContact O-CB 3.41Å; E454-E457 PolarHBondContact O-N 3.07Å
455	P	91.9	Very high	94.6	Very high	39 Å²	39	48.5 Å²	48.5	25%	0.253	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.5	173.5	-26.1	35.7	0	0	0	112.5	E457 C507 D509	P455-E457 PolarHBondContact O-N 3.13Å; P455-C507 CarbonylContact C-O 3.57Å; P455-C507 WeakPolarHBondContact CA-O 3.42Å; P455-D509 HydrophobicContact CB-CB 4.49Å; P455-D509 WeakPolarHBondContact CB-OD1 3.42Å; P455-D509 WeakPolarHBondContact CG-OD1 3.36Å
456	N	92.2	Very high	94.4	Very high	93 Å²	93	43.6 Å²	43.6	50%	0.497	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	4.5	-176.2	-47.9	-68.3	0	0	0	115.4	E454 C506 C507	E454-N456 PolarHBondContact O-N 3.07Å; N456-C506 WeakPolarHBondContact CA-SG 3.38Å; N456-C506 PolarHBondContact O-SG 3.39Å; N456-C506 VanDerWaalsContact O-SG 3.35Å; N456-C507 PolarHBondContact N-O 3.37Å
457	E	92.2	Very high	93.3	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	24%	0.238	S	C	.	.			trans	-87.2	123.4	173.6	-174.3	179.7	-162.7	0	0	110.4	K433 C453 E454 P455	K433-E457 WeakPolarHBondContact CE-OE1 3.32Å; K433-E457 WeakPolarHBondContact CE-OE2 3.35Å; K433-E457 IonicContact NZ-OE1 3.29Å; K433-E457 PolarHBondContact NZ-OE1 3.37Å; K433-E457 IonicContact NZ-OE2 3.3Å; K433-E457 PolarHBondContact NZ-OE2 3.28Å; C453-E457 WeakPolarHBondContact CA-OE2 3.49Å; C453-E457 HydrophobicContact CB-CB 4.07Å; C453-E457 HydrophobicContact CB-CG 4.27Å; E454-E457 HydrophobicContact CB-CB 4.43Å; E454-E457 PolarHBondContact N-OE2 3.42Å; E454-E457 VanDerWaalsContact O-CB 3.26Å; E454-E457 WeakPolarHBondContact O-CB 3.41Å; E454-E457 PolarHBondContact O-N 3.07Å; P455-E457 PolarHBondContact O-N 3.13Å
458	P	89.1	Confident	92.4	Very high	68 Å²	68	46.2 Å²	46.2	44%	0.442	26%	0.26	S	S	.	.			trans	-64.5	143.7	174.2	-22.1	34.1	0	0	0	112.5	C453 L504 M505	C453-P458 PolarHBondContact SG-O 2.89Å; P458-L504 HydrophobicContact CB-CD1 4.16Å; P458-L504 HydrophobicContact CB-CD2 4.19Å; P458-L504 HydrophobicContact CB-CG 4.13Å; P458-M505 CarbonylContact C-O 3.51Å; P458-M505 WeakPolarHBondContact CA-O 3.14Å
459	G	92.6	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-171.6	174.2	0	0	0	0	0	112.8	I431 I432 L504 M505	I431-G459 VanDerWaalsContact CG2-CA 3.44Å; I432-G459 CarbonylContact O-C 3.45Å; I432-G459 WeakPolarHBondContact O-CA 3.4Å; G459-L504 CarbonylContact O-C 3.58Å; G459-L504 WeakPolarHBondContact O-CA 3.38Å; G459-M505 PolarHBondContact N-O 3.49Å; G459-M505 PolarHBondContact O-N 3.01Å
460	H	93.6	Very high	90.9	Very high	12 Å²	12	46 Å²	46	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.2	-173.1	-176.1	-172.4	0	0	0	111.2	I431 I432 I434 V462 S501 G502 L519	I431-H460 WeakPolarHBondContact CA-O 2.98Å; I432-H460 HydrophobicContact CG1-CB 3.94Å; I432-H460 WeakPolarHBondContact CG1-O 3.18Å; I432-H460 PolarHBondContact N-O 3.19Å; I432-H460 PolarHBondContact O-N 3.37Å; I434-H460 HydrophobicContact CD1-CB 4.48Å; I434-H460 HydrophobicContact CG2-CB 3.45Å; I434-H460 VanDerWaalsContact CG2-CB 3.45Å; H460-V462 PolarHBondContact O-N 3.03Å; H460-S501 PolarHBondContact CD2-OG 2.86Å; H460-G502 WeakPolarHBondContact NE2-CA 3.4Å; H460-G502 PolarHBondContact NE2-N 2.95Å; H460-L519 HydrophobicContact CB-CD1 4.19Å
461	L	95.3	Very high	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.5	176.8	177.4	73.1	0	0	0	111	Y397 A404 C429 I431 S501 D503 M505	Y397-L461 HydrophobicContact CD1-CD2 3.98Å; Y397-L461 HydrophobicContact CE1-CD2 3.36Å; A404-L461 HydrophobicContact CB-CD2 4.43Å; C429-L461 HydrophobicContact CB-CD1 4.37Å; I431-L461 HydrophobicContact CG1-CD1 4.24Å; L461-S501 VanDerWaalsContact O-CB 3.32Å; L461-S501 WeakPolarHBondContact O-CB 3.46Å; L461-S501 PolarHBondContact O-N 2.93Å; L461-S501 VanDerWaalsContact O-N 3.15Å; L461-S501 PolarHBondContact O-OG 2.86Å; L461-D503 PolarHBondContact N-O 2.98Å; L461-M505 HydrophobicContact CB-CB 4.08Å; L461-M505 HydrophobicContact CB-CG 3.63Å; L461-M505 HydrophobicContact CD2-CE 4.09Å; L461-M505 HydrophobicContact CD2-CG 4.14Å; L461-M505 HydrophobicContact CG-CG 4.43Å
462	V	96.8	Very high	89.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.1	177.5	-64.9	0	0	0	0	111.9	C429 Y430 I432 H460 I488 V491 W498 F499	C429-V462 CarbonylContact C-O 3.46Å; C429-V462 WeakPolarHBondContact CA-O 3.45Å; Y430-V462 PolarHBondContact N-O 2.73Å; Y430-V462 WeakPolarHBondContact O-CG2 3.33Å; Y430-V462 PolarHBondContact O-N 2.68Å; I432-V462 HydrophobicContact CD1-CG1 3.75Å; I432-V462 HydrophobicContact CG1-CG1 4.06Å; I432-V462 HydrophobicContact CG1-CG2 4.43Å; I432-V462 HydrophobicContact CG2-CG2 3.82Å; H460-V462 PolarHBondContact O-N 3.03Å; V462-I488 HydrophobicContact CG1-CD1 4.02Å; V462-V491 HydrophobicContact CG2-CG1 4.28Å; V462-W498 HydrophobicContact CB-CB 4.35Å; V462-W498 HydrophobicContact CB-CE3 3.99Å; V462-W498 HydrophobicContact CG2-CE3 3.74Å; V462-W498 HydrophobicContact CG2-CZ3 4.23Å; V462-F499 WeakPolarHBondContact CA-O 3.39Å
463	A	95.8	Very high	89.3	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.6	176.6	0	0	0	0	0	112.2	N403 A404 I465 W498 F499	N403-A463 WeakPolarHBondContact OD1-CB 3.44Å; A404-A463 HydrophobicContact CB-CB 3.5Å; A463-I465 PolarHBondContact O-N 2.83Å; A463-W498 CarbonylContact O-C 3.58Å; A463-W498 WeakPolarHBondContact O-CA 3.45Å; A463-F499 PolarHBondContact N-O 3.32Å; A463-F499 VanDerWaalsContact N-O 3.07Å; A463-F499 PolarHBondContact O-N 2.86Å
464	R	95.4	Very high	89.2	Confident	94 Å²	94	48.4 Å²	48.4	36%	0.355	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.6	-173.3	-170.5	176.4	177.9	175.4	3.1	111.7	N403 P428 R472 W498	N403-R464 PolarHBondContact ND2-O 3.05Å; P428-R464 HydrophobicContact CB-CB 3.87Å; P428-R464 HydrophobicContact CG-CB 3.7Å; P428-R464 PolarHBondContact O-N 3.07Å; P428-R464 VanDerWaalsContact O-N 3.09Å; R464-R472 WeakPolarHBondContact O-CB 3.33Å; R464-W498 HydrophobicContact CB-CD2 4.05Å; R464-W498 HydrophobicContact CB-CE3 4.01Å; R464-W498 HydrophobicContact CB-CH2 3.74Å; R464-W498 HydrophobicContact CB-CZ2 3.8Å; R464-W498 HydrophobicContact CB-CZ3 3.84Å; R464-W498 HydrophobicContact CG-CD2 4.45Å; R464-W498 HydrophobicContact CG-CH2 4.41Å; R464-W498 HydrophobicContact CG-CZ2 3.98Å
465	I	94.7	Very high	89	Confident	29 Å²	29	44.4 Å²	44.4	15%	0.149	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.2	172.6	-60	171.4	0	0	0	109.2	A463 R472 F474 I487 L497 F499	A463-I465 PolarHBondContact O-N 2.83Å; I465-R472 CarbonylContact C-O 3.41Å; I465-R472 VanDerWaalsContact CA-O 3.3Å; I465-R472 WeakPolarHBondContact CA-O 3.45Å; I465-F474 HydrophobicContact CD1-CB 4.01Å; I465-F474 HydrophobicContact CD1-CD1 3.99Å; I465-F474 HydrophobicContact CD1-CG 4.15Å; I465-F474 HydrophobicContact CG1-CB 3.99Å; I465-F474 HydrophobicContact CG2-CB 4.13Å; I465-I487 HydrophobicContact CD1-CD1 4.36Å; I465-I487 HydrophobicContact CD1-CG1 3.91Å; I465-I487 HydrophobicContact CD1-CG2 4.31Å; I465-L497 HydrophobicContact CB-CB 4Å; I465-L497 WeakPolarHBondContact CB-O 3.39Å; I465-L497 PolarHBondContact N-O 3.42Å; I465-F499 HydrophobicContact CD1-CB 4.12Å; I465-F499 HydrophobicContact CG1-CB 4.13Å
466	G	89.3	Confident	89	Confident	24 Å²	24	42.6 Å²	42.6	25%	0.247	23%	0.227	C	C	.	.			trans	-161.1	135.5	175.1	0	0	0	0	0	112.1	N468 R472	G466-N468 PolarHBondContact O-N 3.09Å; G466-R472 PolarHBondContact N-O 2.97Å; G466-R472 CarbonylContact O-C 3.58Å
467	S	74.5	Confident	89	Confident	96 Å²	96	38.9 Å²	38.9	67%	0.671	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.6	-174.4	54.2	0	0	0	0	114.5	M473	S467-M473 VanDerWaalsContact CA-SD 3.58Å; S467-M473 VanDerWaalsContact O-SD 3.33Å
468	N	76.5	Confident	89	Confident	155 Å²	155	39 Å²	39	83%	0.829	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.1	-169.7	-62.1	-2	0	0	0	113.3	G466	G466-N468 PolarHBondContact O-N 3.09Å
469	N	80.6	Confident	89	Confident	40 Å²	40	39.4 Å²	39.4	21%	0.214	21%	0.21	C	C	.	.			trans	-131.9	118	178.6	-176.6	-24.3	0	0	0	109.5	F471 R472 M473	N469-F471 PolarHBondContact O-N 3.1Å; N469-F471 VanDerWaalsContact O-N 3.14Å; N469-F471 WeakPolarHBondContact OD1-CB 3.48Å; N469-F471 PolarHBondContact OD1-N 3.5Å; N469-R472 HydrophobicContact CB-CB 4.2Å; N469-R472 HydrophobicContact CB-CG 4.05Å; N469-R472 CarbonylContact O-C 3.58Å; N469-R472 WeakPolarHBondContact O-CA 3.46Å; N469-R472 PolarHBondContact O-N 2.82Å; N469-M473 PolarHBondContact O-N 3.27Å
470	P	80	Confident	88.9	Confident	12 Å²	12	42.6 Å²	42.6	8%	0.078	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-49.4	-36.2	176.1	-34	41	0	0	0	115.5	I71 L274 R472 M473	I71-P470 HydrophobicContact CG2-CB 3.61Å; I71-P470 HydrophobicContact CG2-CG 3.5Å; L274-P470 HydrophobicContact CD1-CB 4.15Å; L274-P470 HydrophobicContact CD1-CG 4.36Å; L274-P470 HydrophobicContact CD2-CB 3.93Å; L274-P470 HydrophobicContact CD2-CG 4.08Å; L274-P470 HydrophobicContact CG-CB 4.28Å; P470-R472 PolarHBondContact O-N 3.07Å; P470-M473 PolarHBondContact O-N 3.37Å
471	F	82.6	Confident	88.7	Confident	31 Å²	31	46.6 Å²	46.6	14%	0.136	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.5	176.2	-74.5	-89.6	0	0	0	113.7	L64 V67 Q68 L278 Y427 N469	L64-F471 HydrophobicContact CD2-CE1 3.88Å; L64-F471 HydrophobicContact CD2-CZ 4.24Å; V67-F471 HydrophobicContact CB-CE1 4.32Å; V67-F471 HydrophobicContact CB-CZ 3.69Å; V67-F471 HydrophobicContact CG1-CE1 3.61Å; V67-F471 HydrophobicContact CG1-CE2 4.02Å; V67-F471 HydrophobicContact CG1-CZ 3.15Å; Q68-F471 HydrophobicContact CB-CE2 4.1Å; Q68-F471 VanDerWaalsContact OE1-CD2 3.3Å; L278-F471 HydrophobicContact CD1-CD1 3.92Å; L278-F471 HydrophobicContact CD1-CE1 3.81Å; L278-F471 HydrophobicContact CD1-CE2 4.37Å; L278-F471 HydrophobicContact CD1-CG 4.32Å; L278-F471 HydrophobicContact CD1-CZ 4.09Å; Y427-F471 HydrophobicContact CE2-CD1 4.23Å; N469-F471 PolarHBondContact O-N 3.1Å; N469-F471 VanDerWaalsContact O-N 3.14Å; N469-F471 WeakPolarHBondContact OD1-CB 3.48Å; N469-F471 PolarHBondContact OD1-N 3.5Å
472	R	86.7	Confident	88.3	Confident	66 Å²	66	46.7 Å²	46.7	25%	0.249	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-110.5	-0.4	-176.9	-57.3	-177.7	-174.5	169.8	-1.9	112.1	N403 R464 I465 G466 N469 P470	N403-R472 PolarHBondContact ND2-O 2.96Å; R464-R472 WeakPolarHBondContact O-CB 3.33Å; I465-R472 CarbonylContact C-O 3.41Å; I465-R472 VanDerWaalsContact CA-O 3.3Å; I465-R472 WeakPolarHBondContact CA-O 3.45Å; G466-R472 PolarHBondContact N-O 2.97Å; G466-R472 CarbonylContact O-C 3.58Å; N469-R472 HydrophobicContact CB-CB 4.2Å; N469-R472 HydrophobicContact CB-CG 4.05Å; N469-R472 CarbonylContact O-C 3.58Å; N469-R472 WeakPolarHBondContact O-CA 3.46Å; N469-R472 PolarHBondContact O-N 2.82Å; P470-R472 PolarHBondContact O-N 3.07Å
473	M	88.6	Confident	88.1	Confident	46 Å²	46	47.4 Å²	47.4	23%	0.227	26%	0.257	C	S	.	.			trans	-70	135.2	177.8	-71.8	-66.4	-66.7	0	0	111	N403 S467 N469 P470	N403-M473 WeakPolarHBondContact CB-O 3.44Å; S467-M473 VanDerWaalsContact CA-SD 3.58Å; S467-M473 VanDerWaalsContact O-SD 3.33Å; N469-M473 PolarHBondContact O-N 3.27Å; P470-M473 PolarHBondContact O-N 3.37Å
474	F	91.2	Very high	88	Confident	29 Å²	29	53.1 Å²	53.1	13%	0.127	28%	0.281	C	S	.	.			trans	-121.2	99.7	172.5	175.1	-117	0	0	0	108.3	E401 I465 G476 K486 I487 F499	E401-F474 HydrophobicContact CB-CE2 4.17Å; E401-F474 HydrophobicContact CG-CE2 4.05Å; E401-F474 WeakPolarHBondContact O-CD2 3.49Å; E401-F474 WeakPolarHBondContact O-CE2 3.09Å; I465-F474 HydrophobicContact CD1-CB 4.01Å; I465-F474 HydrophobicContact CD1-CD1 3.99Å; I465-F474 HydrophobicContact CD1-CG 4.15Å; I465-F474 HydrophobicContact CG1-CB 3.99Å; I465-F474 HydrophobicContact CG2-CB 4.13Å; F474-G476 VanDerWaalsContact C-N 3.35Å; F474-K486 HydrophobicContact CZ-CB 3.98Å; F474-I487 HydrophobicContact CD1-CD1 4.2Å; F474-I487 HydrophobicContact CD1-CG1 4.27Å; F474-I487 HydrophobicContact CE1-CD1 4.12Å; F474-I487 HydrophobicContact CE1-CG1 4.02Å; F474-F499 AromaticContact CD2-CD2 3.69Å; F474-F499 HydrophobicContact CD2-CD2 3.69Å; F474-F499 HydrophobicContact CD2-CE2 4.22Å; F474-F499 HydrophobicContact CD2-CG 4.47Å; F474-F499 AromaticContact CE2-CD2 3.37Å; F474-F499 HydrophobicContact CE2-CD2 3.37Å; F474-F499 AromaticContact CE2-CE2 3.54Å; F474-F499 HydrophobicContact CE2-CE2 3.54Å; F474-F499 HydrophobicContact CG-CD2 4.46Å; F474-F499 AromaticContact CZ-CD2 3.89Å; F474-F499 HydrophobicContact CZ-CD2 3.89Å; F474-F499 HydrophobicContact CZ-CE2 4.09Å
475	D	90.4	Very high	87.7	Confident	37 Å²	37	56.8 Å²	56.8	20%	0.198	30%	0.3	C	S	.	.			trans	-76.8	-26.1	179.9	-60.3	-52.3	0	0	0	111.7	I270 R275	I270-D475 HydrophobicContact CB-CB 4.23Å; I270-D475 HydrophobicContact CG2-CB 4.36Å; R275-D475 VanDerWaalsContact CD-OD2 3.32Å; R275-D475 WeakPolarHBondContact CD-OD2 3.16Å
476	G	92	Very high	87.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	30%	0.303	C	S	.	.			trans	70.9	-152.3	175.3	0	0	0	0	0	114.6	I270 F474	I270-G476 PolarHBondContact N-O 3.25Å; F474-G476 VanDerWaalsContact C-N 3.35Å
477	Y	91.6	Very high	87.9	Confident	15 Å²	15	59.1 Å²	59.1	6%	0.059	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-105.7	160.1	176.6	-53.1	-75.5	0	0	0	110.5	T259 K267 A268 A269 E401 D479 A482 S483 K486	T259-Y477 HydrophobicContact CG2-CE1 4.28Å; T259-Y477 WeakPolarHBondContact OG1-CE1 3.29Å; K267-Y477 HydrophobicContact CB-CD1 3.77Å; K267-Y477 HydrophobicContact CB-CE1 4.03Å; K267-Y477 HydrophobicContact CB-CG 4.26Å; K267-Y477 HydrophobicContact CD-CE2 4.45Å; A268-Y477 VanDerWaalsContact O-CA 3.31Å; A268-Y477 WeakPolarHBondContact O-CA 3.35Å; A269-Y477 HydrophobicContact CB-CD1 3.94Å; A269-Y477 HydrophobicContact CB-CE1 4.08Å; E401-Y477 HydrophobicContact CB-CE1 4.03Å; E401-Y477 HydrophobicContact CG-CE1 4.07Å; E401-Y477 HydrophobicContact CG-CE2 4.15Å; E401-Y477 WeakPolarHBondContact CG-OH 2.91Å; E401-Y477 PolarHBondContact OE1-OH 3.24Å; Y477-D479 PolarHBondContact O-N 2.84Å; Y477-A482 HydrophobicContact CD2-CB 3.75Å; Y477-A482 HydrophobicContact CE2-CB 4.36Å; Y477-A482 HydrophobicContact CG-CB 4.37Å; Y477-S483 PolarHBondContact N-OG 3.25Å; Y477-S483 PolarHBondContact O-OG 3.19Å; Y477-K486 HydrophobicContact CE2-CG 4.25Å
478	V	91.1	Very high	88.9	Confident	61 Å²	61	55.5 Å²	55.5	37%	0.37	28%	0.277	S	S	.	.	S	Bend	trans	-56.2	-36.3	168.6	176.9	0	0	0	0	111.2	L176 Y256 A268 I270 S480	L176-V478 HydrophobicContact CD2-CG2 3.79Å; Y256-V478 HydrophobicContact CD1-CG2 3.6Å; Y256-V478 HydrophobicContact CE1-CG2 3.41Å; Y256-V478 VanDerWaalsContact CE1-CG2 3.41Å; A268-V478 HydrophobicContact CB-CG2 4.13Å; A268-V478 PolarHBondContact O-N 3.27Å; I270-V478 HydrophobicContact CD1-CG2 4.36Å; I270-V478 HydrophobicContact CG1-CG2 3.99Å; V478-S480 PolarHBondContact O-N 2.77Å
479	D	89.5	Confident	89.8	Confident	77 Å²	77	55.6 Å²	55.6	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	-74	108.2	168.2	176.4	1.1	0	0	0	110.7	Y477 E481 A482 S483	Y477-D479 PolarHBondContact O-N 2.84Å; D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 2.94Å; D479-E481 WeakPolarHBondContact OD1-CB 3.44Å; D479-E481 PolarHBondContact OD1-N 3.42Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 PolarHBondContact O-N 3.26Å; D479-A482 PolarHBondContact OD1-N 3.02Å; D479-A482 WeakPolarHBondContact OD2-CB 3.49Å; D479-S483 PolarHBondContact O-N 2.74Å; D479-S483 VanDerWaalsContact O-N 3.13Å; D479-S483 PolarHBondContact O-OG 3.31Å; D479-S483 VanDerWaalsContact O-OG 3.07Å
480	S	90.4	Very high	90.6	Very high	68 Å²	68	55.9 Å²	55.9	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-30.6	179.8	73.9	0	0	0	0	113.5	V478 S483 K484	V478-S480 PolarHBondContact O-N 2.77Å; S480-S483 WeakPolarHBondContact O-CB 3.48Å; S480-S483 PolarHBondContact O-N 2.75Å; S480-K484 WeakPolarHBondContact O-CG 3.35Å; S480-K484 PolarHBondContact O-N 3.41Å
481	E	90.7	Very high	91.4	Very high	95 Å²	95	55.3 Å²	55.3	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-73.3	-39.1	178.2	-68.3	-55	123.5	0	0	110.7	D479 S483 K484 K485	D479-E481 VanDerWaalsContact C-N 3.31Å; D479-E481 PolarHBondContact O-N 2.94Å; D479-E481 WeakPolarHBondContact OD1-CB 3.44Å; D479-E481 PolarHBondContact OD1-N 3.42Å; E481-S483 PolarHBondContact O-N 3.26Å; E481-K484 PolarHBondContact O-N 3.42Å; E481-K484 WeakPolarHBondContact OE1-CD 3.5Å; E481-K484 IonicContact OE1-NZ 3.69Å; E481-K484 PolarHBondContact OE1-NZ 3.05Å; E481-K485 WeakPolarHBondContact O-CG 3.41Å; E481-K485 PolarHBondContact O-N 3.06Å; E481-K485 VanDerWaalsContact O-N 3.13Å
482	A	86.9	Confident	91.9	Very high	3 Å²	3	54.9 Å²	54.9	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-36.7	170.2	0	0	0	0	0	112.3	K267 Y477 D479	K267-A482 HydrophobicContact CD-CB 3.8Å; Y477-A482 HydrophobicContact CD2-CB 3.75Å; Y477-A482 HydrophobicContact CE2-CB 4.36Å; Y477-A482 HydrophobicContact CG-CB 4.37Å; D479-A482 HydrophobicContact CB-CB 3.91Å; D479-A482 PolarHBondContact O-N 3.26Å; D479-A482 PolarHBondContact OD1-N 3.02Å; D479-A482 WeakPolarHBondContact OD2-CB 3.49Å
483	S	91.9	Very high	92.3	Very high	15 Å²	15	56.9 Å²	56.9	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-43.7	177.2	-57.3	0	0	0	0	112	Y477 D479 S480 E481 K485 K486	Y477-S483 PolarHBondContact N-OG 3.25Å; Y477-S483 PolarHBondContact O-OG 3.19Å; D479-S483 PolarHBondContact O-N 2.74Å; D479-S483 VanDerWaalsContact O-N 3.13Å; D479-S483 PolarHBondContact O-OG 3.31Å; D479-S483 VanDerWaalsContact O-OG 3.07Å; S480-S483 WeakPolarHBondContact O-CB 3.48Å; S480-S483 PolarHBondContact O-N 2.75Å; E481-S483 PolarHBondContact O-N 3.26Å; S483-K485 VanDerWaalsContact C-N 3.32Å; S483-K485 PolarHBondContact O-N 3.29Å; S483-K486 WeakPolarHBondContact O-CB 3.4Å; S483-K486 PolarHBondContact O-N 2.93Å
484	K	93.1	Very high	92.6	Very high	121 Å²	121	61.3 Å²	61.3	53%	0.526	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-39.4	177.6	-73.3	170.5	-170.9	170	0	112.4	S480 E481 K486 I487	S480-K484 WeakPolarHBondContact O-CG 3.35Å; S480-K484 PolarHBondContact O-N 3.41Å; E481-K484 PolarHBondContact O-N 3.42Å; E481-K484 WeakPolarHBondContact OE1-CD 3.5Å; E481-K484 IonicContact OE1-NZ 3.69Å; E481-K484 PolarHBondContact OE1-NZ 3.05Å; K484-K486 PolarHBondContact O-N 3.14Å; K484-K486 VanDerWaalsContact O-N 3.1Å; K484-I487 PolarHBondContact O-N 2.95Å
485	K	90.2	Very high	92.7	Very high	172 Å²	172	63 Å²	63	75%	0.748	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.7	176.2	-72.2	174.5	-177.6	179.3	0	113.9	E481 S483	E481-K485 WeakPolarHBondContact O-CG 3.41Å; E481-K485 PolarHBondContact O-N 3.06Å; E481-K485 VanDerWaalsContact O-N 3.13Å; S483-K485 VanDerWaalsContact C-N 3.32Å; S483-K485 PolarHBondContact O-N 3.29Å
486	K	91.8	Very high	92.9	Very high	47 Å²	47	61.8 Å²	61.8	20%	0.204	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.3	176.5	-68.6	-70.8	-166.3	172.3	0	113.1	F474 Y477 S483 K484 F499 A500 S501	F474-K486 HydrophobicContact CZ-CB 3.98Å; Y477-K486 HydrophobicContact CE2-CG 4.25Å; S483-K486 WeakPolarHBondContact O-CB 3.4Å; S483-K486 PolarHBondContact O-N 2.93Å; K484-K486 PolarHBondContact O-N 3.14Å; K484-K486 VanDerWaalsContact O-N 3.1Å; K486-F499 HydrophobicContact CB-CD2 4.06Å; K486-F499 HydrophobicContact CB-CE2 3.89Å; K486-F499 HydrophobicContact CD-CE2 4.11Å; K486-F499 HydrophobicContact CD-CZ 4.47Å; K486-F499 HydrophobicContact CG-CE2 4.19Å; K486-F499 CarbonylContact O-C 3.55Å; K486-F499 WeakPolarHBondContact O-CA 3.36Å; K486-A500 WeakPolarHBondContact CD-O 3.47Å; K486-A500 PolarHBondContact O-N 3.27Å; K486-S501 PolarHBondContact NZ-O 2.88Å
487	I	95.3	Very high	93.1	Very high	54 Å²	54	64.3 Å²	64.3	28%	0.277	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.7	-176.3	-59.1	174.5	0	0	0	110.7	I465 F474 K484 L497 W498	I465-I487 HydrophobicContact CD1-CD1 4.36Å; I465-I487 HydrophobicContact CD1-CG1 3.91Å; I465-I487 HydrophobicContact CD1-CG2 4.31Å; F474-I487 HydrophobicContact CD1-CD1 4.2Å; F474-I487 HydrophobicContact CD1-CG1 4.27Å; F474-I487 HydrophobicContact CE1-CD1 4.12Å; F474-I487 HydrophobicContact CE1-CG1 4.02Å; K484-I487 PolarHBondContact O-N 2.95Å; I487-L497 HydrophobicContact CG2-CB 4.35Å; I487-L497 HydrophobicContact CG2-CD2 4.14Å; I487-W498 CarbonylContact C-O 3.56Å; I487-W498 WeakPolarHBondContact CA-O 3.42Å
488	I	95.6	Very high	93.3	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.108	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.1	168.2	-63	165.3	0	0	0	108.5	I432 P441 V462 V491 W498 A500	I432-I488 HydrophobicContact CD1-CD1 4Å; P441-I488 HydrophobicContact CG-CD1 3.8Å; P441-I488 HydrophobicContact CG-CG1 4.29Å; P441-I488 HydrophobicContact CG-CG2 4.05Å; V462-I488 HydrophobicContact CG1-CD1 4.02Å; I488-V491 HydrophobicContact CB-CG2 4.26Å; I488-V491 HydrophobicContact CG2-CG2 3.66Å; I488-W498 PolarHBondContact N-O 3.22Å; I488-W498 PolarHBondContact O-N 3.34Å; I488-A500 HydrophobicContact CD1-CB 3.64Å; I488-A500 HydrophobicContact CG1-CB 3.95Å
489	R	96	Very high	93.6	Very high	156 Å²	156	60.9 Å²	60.9	59%	0.589	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	157.2	177	-55.1	-175.4	175.7	-110.1	0.9	111	R443 D496 L497	R443-R489 PolarHBondContact NH1-O 3.48Å; R443-R489 PolarHBondContact NH2-O 3Å; R489-D496 WeakPolarHBondContact CA-O 3.39Å; R489-L497 HydrophobicContact CG-CD2 3.74Å
490	N	96.6	Very high	93.8	Very high	47 Å²	47	57.6 Å²	57.6	25%	0.251	29%	0.288	S	S	.	.			trans	57.1	53.2	171.9	-51.2	-46.9	0	0	0	112.1	R443 L449 C450 H493 K494 G495 D496	R443-N490 PolarHBondContact NH1-O 3.1Å; L449-N490 WeakPolarHBondContact CA-O 3.39Å; L449-N490 HydrophobicContact CD2-CB 4.13Å; C450-N490 PolarHBondContact N-O 3.18Å; N490-H493 WeakPolarHBondContact CA-O 3.46Å; N490-K494 HydrophobicContact CB-CD 4.47Å; N490-K494 WeakPolarHBondContact OD1-CA 3.49Å; N490-G495 PolarHBondContact OD1-N 3.35Å; N490-D496 WeakPolarHBondContact CA-OD1 3.19Å; N490-D496 PolarHBondContact N-O 2.78Å; N490-D496 VanDerWaalsContact N-O 3.09Å; N490-D496 PolarHBondContact N-OD1 3.25Å
491	V	96.5	Very high	93.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-82.5	-62.4	178.5	178.8	0	0	0	0	110.2	I432 C450 V462 I488 D496 W498	I432-V491 HydrophobicContact CG2-CG1 3.8Å; C450-V491 HydrophobicContact CB-CB 4.37Å; C450-V491 HydrophobicContact CB-CG1 4Å; C450-V491 PolarHBondContact N-O 3.24Å; V462-V491 HydrophobicContact CG2-CG1 4.28Å; I488-V491 HydrophobicContact CB-CG2 4.26Å; I488-V491 HydrophobicContact CG2-CG2 3.66Å; V491-D496 PolarHBondContact N-OD1 2.95Å; V491-W498 VanDerWaalsContact CB-CD1 3.43Å; V491-W498 HydrophobicContact CB-CD2 3.98Å; V491-W498 HydrophobicContact CB-CG 3.77Å; V491-W498 HydrophobicContact CG1-CD2 4.16Å; V491-W498 HydrophobicContact CG1-CG 4.36Å; V491-W498 HydrophobicContact CG2-CB 3.69Å; V491-W498 HydrophobicContact CG2-CD2 4.08Å; V491-W498 HydrophobicContact CG2-CG 3.41Å; V491-W498 VanDerWaalsContact CG2-CG 3.41Å
492	L	94.3	Very high	93.7	Very high	22 Å²	22	51.2 Å²	51.2	12%	0.115	26%	0.258	C	S	.	.	S	Bend	trans	-108.8	-26.9	-180	-63.6	-175.1	0	0	0	112.7	Y430 L449 L452 D496 W498	Y430-L492 HydrophobicContact CD2-CD1 4.05Å; Y430-L492 HydrophobicContact CE2-CD1 3.76Å; L449-L492 WeakPolarHBondContact CD1-O 3.4Å; L452-L492 HydrophobicContact CD1-CD2 4.03Å; L452-L492 HydrophobicContact CD2-CD2 3.95Å; L452-L492 HydrophobicContact CG-CD2 4.04Å; L492-D496 PolarHBondContact N-OD2 2.75Å; L492-W498 HydrophobicContact CB-CZ2 4.33Å; L492-W498 HydrophobicContact CD1-CH2 3.78Å; L492-W498 HydrophobicContact CD1-CZ2 3.68Å; L492-W498 HydrophobicContact CG-CH2 4.28Å; L492-W498 HydrophobicContact CG-CZ2 3.84Å
493	H	94.2	Very high	93.8	Very high	108 Å²	108	52.1 Å²	52.1	50%	0.5	26%	0.263	S	S	.	.	S	Bend	trans	-139.1	150.2	178	-57.1	-66.9	0	0	0	110.6	N490 G495 D496	N490-H493 WeakPolarHBondContact CA-O 3.46Å; H493-G495 PolarHBondContact O-N 2.9Å; H493-D496 HydrophobicContact CB-CB 4.46Å; H493-D496 PolarHBondContact N-OD2 2.9Å; H493-D496 PolarHBondContact O-N 3.04Å
494	K	94.7	Very high	93.6	Very high	138 Å²	138	52.9 Å²	52.9	60%	0.6	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	132.4	171.8	-68.2	-67.1	-174.4	-177.6	0	110.2	T447 L449 N490 D496	T447-K494 WeakPolarHBondContact O-CE 3.41Å; T447-K494 PolarHBondContact O-NZ 3.11Å; L449-K494 HydrophobicContact CD2-CD 4.23Å; L449-K494 HydrophobicContact CD2-CG 4.41Å; N490-K494 HydrophobicContact CB-CD 4.47Å; N490-K494 WeakPolarHBondContact OD1-CA 3.49Å; K494-D496 VanDerWaalsContact C-N 3.32Å; K494-D496 PolarHBondContact O-N 2.97Å
495	G	93.9	Very high	93.6	Very high	64 Å²	64	47.1 Å²	47.1	66%	0.66	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-5.4	-180	0	0	0	0	0	115.5	N490 H493	N490-G495 PolarHBondContact OD1-N 3.35Å; H493-G495 PolarHBondContact O-N 2.9Å
496	D	95.1	Very high	93.7	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	21%	0.21	C	C	.	.			trans	-71.2	154.5	175.2	72.2	6.9	0	0	0	112.2	R489 N490 V491 L492 H493 K494 W498	R489-D496 WeakPolarHBondContact CA-O 3.39Å; N490-D496 WeakPolarHBondContact CA-OD1 3.19Å; N490-D496 PolarHBondContact N-O 2.78Å; N490-D496 VanDerWaalsContact N-O 3.09Å; N490-D496 PolarHBondContact N-OD1 3.25Å; V491-D496 PolarHBondContact N-OD1 2.95Å; L492-D496 PolarHBondContact N-OD2 2.75Å; H493-D496 HydrophobicContact CB-CB 4.46Å; H493-D496 PolarHBondContact N-OD2 2.9Å; H493-D496 PolarHBondContact O-N 3.04Å; K494-D496 VanDerWaalsContact C-N 3.32Å; K494-D496 PolarHBondContact O-N 2.97Å; D496-W498 PolarHBondContact OD1-NE1 3.07Å; D496-W498 PolarHBondContact OD2-NE1 3.39Å
497	L	96	Very high	93.9	Very high	55 Å²	55	38 Å²	38	29%	0.288	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.6	-178.6	-59.4	-179.7	0	0	0	109.3	I465 I487 R489	I465-L497 HydrophobicContact CB-CB 4Å; I465-L497 WeakPolarHBondContact CB-O 3.39Å; I465-L497 PolarHBondContact N-O 3.42Å; I487-L497 HydrophobicContact CG2-CB 4.35Å; I487-L497 HydrophobicContact CG2-CD2 4.14Å; R489-L497 HydrophobicContact CG-CD2 3.74Å
498	W	96.7	Very high	93.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.2	-174.6	-68.8	75.6	0	0	0	110.8	P428 Y430 V462 A463 R464 I487 I488 V491 L492 D496	P428-W498 HydrophobicContact CB-CH2 4.11Å; P428-W498 WeakPolarHBondContact O-CZ3 3.4Å; Y430-W498 AromaticContact CD2-CH2 3.47Å; Y430-W498 HydrophobicContact CD2-CH2 3.47Å; Y430-W498 VanDerWaalsContact CD2-CH2 3.47Å; Y430-W498 AromaticContact CD2-CZ3 3.66Å; Y430-W498 HydrophobicContact CD2-CZ3 3.66Å; Y430-W498 AromaticContact CE2-CH2 3.79Å; Y430-W498 HydrophobicContact CE2-CH2 3.79Å; Y430-W498 HydrophobicContact CE2-CZ3 4.37Å; V462-W498 HydrophobicContact CB-CB 4.35Å; V462-W498 HydrophobicContact CB-CE3 3.99Å; V462-W498 HydrophobicContact CG2-CE3 3.74Å; V462-W498 HydrophobicContact CG2-CZ3 4.23Å; A463-W498 CarbonylContact O-C 3.58Å; A463-W498 WeakPolarHBondContact O-CA 3.45Å; R464-W498 HydrophobicContact CB-CD2 4.05Å; R464-W498 HydrophobicContact CB-CE3 4.01Å; R464-W498 HydrophobicContact CB-CH2 3.74Å; R464-W498 HydrophobicContact CB-CZ2 3.8Å; R464-W498 HydrophobicContact CB-CZ3 3.84Å; R464-W498 HydrophobicContact CG-CD2 4.45Å; R464-W498 HydrophobicContact CG-CH2 4.41Å; R464-W498 HydrophobicContact CG-CZ2 3.98Å; I487-W498 CarbonylContact C-O 3.56Å; I487-W498 WeakPolarHBondContact CA-O 3.42Å; I488-W498 PolarHBondContact N-O 3.22Å; I488-W498 PolarHBondContact O-N 3.34Å; V491-W498 VanDerWaalsContact CB-CD1 3.43Å; V491-W498 HydrophobicContact CB-CD2 3.98Å; V491-W498 HydrophobicContact CB-CG 3.77Å; V491-W498 HydrophobicContact CG1-CD2 4.16Å; V491-W498 HydrophobicContact CG1-CG 4.36Å; V491-W498 HydrophobicContact CG2-CB 3.69Å; V491-W498 HydrophobicContact CG2-CD2 4.08Å; V491-W498 HydrophobicContact CG2-CG 3.41Å; V491-W498 VanDerWaalsContact CG2-CG 3.41Å; L492-W498 HydrophobicContact CB-CZ2 4.33Å; L492-W498 HydrophobicContact CD1-CH2 3.78Å; L492-W498 HydrophobicContact CD1-CZ2 3.68Å; L492-W498 HydrophobicContact CG-CH2 4.28Å; L492-W498 HydrophobicContact CG-CZ2 3.84Å; D496-W498 PolarHBondContact OD1-NE1 3.07Å; D496-W498 PolarHBondContact OD2-NE1 3.39Å
499	F	95.6	Very high	93.7	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.5	171.6	171.6	-98.1	0	0	0	109.1	E401 S402 N403 A404 V462 A463 I465 F474 K486 S501	E401-F499 HydrophobicContact CG-CE2 3.96Å; E401-F499 HydrophobicContact CG-CZ 4.22Å; S402-F499 WeakPolarHBondContact OG-CD1 3.48Å; S402-F499 WeakPolarHBondContact OG-CE1 3.49Å; N403-F499 WeakPolarHBondContact OD1-CB 3.46Å; A404-F499 HydrophobicContact CB-CD1 4.25Å; V462-F499 WeakPolarHBondContact CA-O 3.39Å; A463-F499 PolarHBondContact N-O 3.32Å; A463-F499 VanDerWaalsContact N-O 3.07Å; A463-F499 PolarHBondContact O-N 2.86Å; I465-F499 HydrophobicContact CD1-CB 4.12Å; I465-F499 HydrophobicContact CG1-CB 4.13Å; F474-F499 AromaticContact CD2-CD2 3.69Å; F474-F499 HydrophobicContact CD2-CD2 3.69Å; F474-F499 HydrophobicContact CD2-CE2 4.22Å; F474-F499 HydrophobicContact CD2-CG 4.47Å; F474-F499 AromaticContact CE2-CD2 3.37Å; F474-F499 HydrophobicContact CE2-CD2 3.37Å; F474-F499 AromaticContact CE2-CE2 3.54Å; F474-F499 HydrophobicContact CE2-CE2 3.54Å; F474-F499 HydrophobicContact CG-CD2 4.46Å; F474-F499 AromaticContact CZ-CD2 3.89Å; F474-F499 HydrophobicContact CZ-CD2 3.89Å; F474-F499 HydrophobicContact CZ-CE2 4.09Å; K486-F499 HydrophobicContact CB-CD2 4.06Å; K486-F499 HydrophobicContact CB-CE2 3.89Å; K486-F499 HydrophobicContact CD-CE2 4.11Å; K486-F499 HydrophobicContact CD-CZ 4.47Å; K486-F499 HydrophobicContact CG-CE2 4.19Å; K486-F499 CarbonylContact O-C 3.55Å; K486-F499 WeakPolarHBondContact O-CA 3.36Å; F499-S501 VanDerWaalsContact CE1-CA 3.45Å
500	A	94.5	Very high	93.6	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.1	174.6	0	0	0	0	0	109.9	K486 I488 G502	K486-A500 WeakPolarHBondContact CD-O 3.47Å; K486-A500 PolarHBondContact O-N 3.27Å; I488-A500 HydrophobicContact CD1-CB 3.64Å; I488-A500 HydrophobicContact CG1-CB 3.95Å; A500-G502 VanDerWaalsContact C-N 3.35Å; A500-G502 PolarHBondContact O-N 2.85Å
501	S	92	Very high	93.5	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-50.2	179.2	53.1	0	0	0	0	112.7	Y397 H460 L461 K486 F499 D503	Y397-S501 WeakPolarHBondContact OH-CB 3.46Å; H460-S501 PolarHBondContact CD2-OG 2.86Å; L461-S501 VanDerWaalsContact O-CB 3.32Å; L461-S501 WeakPolarHBondContact O-CB 3.46Å; L461-S501 PolarHBondContact O-N 2.93Å; L461-S501 VanDerWaalsContact O-N 3.15Å; L461-S501 PolarHBondContact O-OG 2.86Å; K486-S501 PolarHBondContact NZ-O 2.88Å; F499-S501 VanDerWaalsContact CE1-CA 3.45Å; S501-D503 PolarHBondContact OG-N 3.48Å; S501-D503 VanDerWaalsContact OG-N 3.1Å; S501-D503 PolarHBondContact OG-O 2.83Å
502	G	87.5	Confident	93.5	Very high	24 Å²	24	31.2 Å²	31.2	25%	0.247	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.1	8.2	-167.4	0	0	0	0	0	111.4	H460 A500 L519	H460-G502 WeakPolarHBondContact NE2-CA 3.4Å; H460-G502 PolarHBondContact NE2-N 2.95Å; A500-G502 VanDerWaalsContact C-N 3.35Å; A500-G502 PolarHBondContact O-N 2.85Å; G502-L519 WeakPolarHBondContact O-CB 3.12Å; G502-L519 WeakPolarHBondContact O-CG 3.26Å; G502-L519 PolarHBondContact O-N 3.1Å
503	D	87.9	Confident	93.6	Very high	22 Å²	22	30.3 Å²	30.3	12%	0.118	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.8	-175.5	-60.5	-62.9	0	0	0	110.2	Y397 L461 S501 M505 F515	Y397-D503 PolarHBondContact OH-OD2 2.84Å; L461-D503 PolarHBondContact N-O 2.98Å; S501-D503 PolarHBondContact OG-N 3.48Å; S501-D503 VanDerWaalsContact OG-N 3.1Å; S501-D503 PolarHBondContact OG-O 2.83Å; D503-M505 HydrophobicContact CB-CE 4.01Å; D503-F515 HydrophobicContact CB-CD2 4.49Å; D503-F515 HydrophobicContact CB-CE2 4.01Å
504	L	88	Confident	93.6	Very high	30 Å²	30	27.8 Å²	27.8	16%	0.157	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122	170.7	-168.7	73.6	0	0	0	108.3	I434 P458 G459 I516 D517 L519	I434-L504 HydrophobicContact CD1-CD1 3.98Å; P458-L504 HydrophobicContact CB-CD1 4.16Å; P458-L504 HydrophobicContact CB-CD2 4.19Å; P458-L504 HydrophobicContact CB-CG 4.13Å; G459-L504 CarbonylContact O-C 3.58Å; G459-L504 WeakPolarHBondContact O-CA 3.38Å; L504-I516 HydrophobicContact CB-CB 4.34Å; L504-I516 HydrophobicContact CD2-CB 4.09Å; L504-I516 HydrophobicContact CD2-CG2 3.74Å; L504-I516 HydrophobicContact CG-CB 4.14Å; L504-I516 HydrophobicContact CG-CG2 4.34Å; L504-I516 WeakPolarHBondContact O-CB 3.47Å; L504-I516 PolarHBondContact O-N 2.84Å; L504-D517 WeakPolarHBondContact CA-O 3.34Å; L504-D517 HydrophobicContact CB-CB 4.5Å; L504-D517 WeakPolarHBondContact CB-O 3.48Å; L504-D517 PolarHBondContact N-O 3.25Å; L504-D517 PolarHBondContact O-N 3.13Å; L504-L519 HydrophobicContact CB-CD2 4.02Å; L504-L519 HydrophobicContact CD1-CD2 4.05Å
505	M	92.2	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.4	-175.3	-67.5	-74.4	-171.5	0	0	109.4	Y397 V416 I431 P458 G459 L461 D503 I513 Y514 F515	Y397-M505 HydrophobicContact CD1-CE 4.19Å; Y397-M505 HydrophobicContact CD2-CE 3.37Å; Y397-M505 HydrophobicContact CE1-CE 3.96Å; Y397-M505 HydrophobicContact CE2-CE 3.05Å; Y397-M505 HydrophobicContact CG-CE 3.91Å; V416-M505 HydrophobicContact CG2-SD 4.45Å; I431-M505 HydrophobicContact CD1-CB 3.75Å; I431-M505 HydrophobicContact CG1-CB 4.35Å; P458-M505 CarbonylContact C-O 3.51Å; P458-M505 WeakPolarHBondContact CA-O 3.14Å; G459-M505 PolarHBondContact N-O 3.49Å; G459-M505 PolarHBondContact O-N 3.01Å; L461-M505 HydrophobicContact CB-CB 4.08Å; L461-M505 HydrophobicContact CB-CG 3.63Å; L461-M505 HydrophobicContact CD2-CE 4.09Å; L461-M505 HydrophobicContact CD2-CG 4.14Å; L461-M505 HydrophobicContact CG-CG 4.43Å; D503-M505 HydrophobicContact CB-CE 4.01Å; M505-I513 HydrophobicContact CB-CG2 4.13Å; M505-I513 HydrophobicContact CG-CG2 4.37Å; M505-I513 HydrophobicContact SD-CG2 3.98Å; M505-Y514 WeakPolarHBondContact CA-O 3.49Å; M505-F515 HydrophobicContact CE-CB 4.42Å; M505-F515 HydrophobicContact CE-CD2 3.65Å; M505-F515 HydrophobicContact CE-CE2 4.48Å; M505-F515 WeakPolarHBondContact SD-CA 3.25Å; M505-F515 HydrophobicContact SD-CB 4.03Å; M505-F515 HydrophobicContact SD-CD2 4.05Å; M505-F515 HydrophobicContact SD-CG 4.48Å
506	C	92.4	Very high	92.6	Very high	15 Å²	15	24.3 Å²	24.3	10%	0.101	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.6	173.4	179.4	0	0	0	0	109.1	N456 I513 Y514 I516	N456-C506 WeakPolarHBondContact CA-SG 3.38Å; N456-C506 PolarHBondContact O-SG 3.39Å; N456-C506 VanDerWaalsContact O-SG 3.35Å; C506-I513 CarbonylContact O-C 3.52Å; C506-I513 WeakPolarHBondContact O-CA 3.41Å; C506-Y514 PolarHBondContact N-O 2.84Å; C506-Y514 PolarHBondContact O-N 3.15Å; C506-I516 HydrophobicContact CB-CD1 3.73Å; C506-I516 HydrophobicContact CB-CG1 3.77Å
507	C	95.9	Very high	91.8	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.081	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.8	179.3	-176.5	0	0	0	0	110.3	I431 P455 N456 Y512 I513	I431-C507 HydrophobicContact CD1-CB 3.54Å; I431-C507 HydrophobicContact CG1-CB 4.48Å; P455-C507 CarbonylContact C-O 3.57Å; P455-C507 WeakPolarHBondContact CA-O 3.42Å; N456-C507 PolarHBondContact N-O 3.37Å; C507-Y512 CarbonylContact C-O 3.58Å; C507-Y512 VanDerWaalsContact CA-O 3.23Å; C507-Y512 WeakPolarHBondContact CA-O 3.43Å; C507-I513 HydrophobicContact CB-CG1 4.06Å
508	D	95.2	Very high	90.9	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.091	13%	0.13	C	C	.	.			trans	-79.7	173.6	177.7	70.7	22.7	0	0	0	113.1	L510 G511 Y512 Y514	D508-L510 PolarHBondContact O-N 3.05Å; D508-L510 WeakPolarHBondContact OD1-CA 3.37Å; D508-L510 WeakPolarHBondContact OD1-CB 3.36Å; D508-L510 PolarHBondContact OD1-N 2.8Å; D508-G511 PolarHBondContact O-N 2.75Å; D508-G511 PolarHBondContact OD1-N 3.14Å; D508-Y512 PolarHBondContact N-O 3.31Å; D508-Y512 PolarHBondContact OD1-N 2.77Å; D508-Y512 WeakPolarHBondContact OD2-CB 3.12Å; D508-Y514 HydrophobicContact CB-CE2 4.06Å; D508-Y514 WeakPolarHBondContact OD2-CE2 3.36Å; D508-Y514 PolarHBondContact OD2-OH 3.12Å
509	D	92.7	Very high	89.8	Confident	76 Å²	76	26.6 Å²	26.6	41%	0.406	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.6	178.8	-66	-54.6	0	0	0	113.5	I49 P455 G511	I49-D509 WeakPolarHBondContact CD1-O 3.26Å; P455-D509 HydrophobicContact CB-CB 4.49Å; P455-D509 WeakPolarHBondContact CB-OD1 3.42Å; P455-D509 WeakPolarHBondContact CG-OD1 3.36Å; D509-G511 VanDerWaalsContact C-N 3.32Å
510	L	94	Very high	88.5	Confident	26 Å²	26	28.9 Å²	28.9	14%	0.136	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.2	178.7	-57.3	-178.2	0	0	0	112	I49 L52 T53 R56 D508 Y512	I49-L510 HydrophobicContact CG1-CD2 4.24Å; L52-L510 HydrophobicContact CB-CD2 4.33Å; L52-L510 HydrophobicContact CD1-CD1 4.43Å; L52-L510 HydrophobicContact CD1-CD2 3.99Å; T53-L510 HydrophobicContact CG2-CB 4.06Å; T53-L510 HydrophobicContact CG2-CD2 4.21Å; R56-L510 PolarHBondContact NH1-O 3.18Å; R56-L510 PolarHBondContact NH2-O 3.08Å; D508-L510 PolarHBondContact O-N 3.05Å; D508-L510 WeakPolarHBondContact OD1-CA 3.37Å; D508-L510 WeakPolarHBondContact OD1-CB 3.36Å; D508-L510 PolarHBondContact OD1-N 2.8Å; L510-Y512 HydrophobicContact CB-CD2 3.93Å; L510-Y512 HydrophobicContact CB-CE2 4.07Å; L510-Y512 HydrophobicContact CD1-CE2 4.33Å
511	G	94.4	Very high	87.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.			trans	86.7	8.5	178.9	0	0	0	0	0	115.2	Y418 V419 D508 D509	Y418-G511 CarbonylContact C-O 3.51Å; Y418-G511 WeakPolarHBondContact CA-O 3.41Å; Y418-G511 WeakPolarHBondContact CB-O 3.41Å; V419-G511 PolarHBondContact N-O 2.72Å; V419-G511 WeakPolarHBondContact O-CA 3.47Å; D508-G511 PolarHBondContact O-N 2.75Å; D508-G511 PolarHBondContact OD1-N 3.14Å; D509-G511 VanDerWaalsContact C-N 3.32Å
512	Y	96.8	Very high	86	Confident	18 Å²	18	31.8 Å²	31.8	7%	0.071	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.7	169.5	-64.2	-77.5	0	0	0	109.9	R56 D410 K412 A415 G417 C507 D508 L510	R56-Y512 VanDerWaalsContact NH1-CZ 3.34Å; D410-Y512 PolarHBondContact OD2-OH 3.38Å; K412-Y512 HydrophobicContact CB-CD1 3.74Å; K412-Y512 HydrophobicContact CB-CE1 3.38Å; K412-Y512 HydrophobicContact CB-CG 4.47Å; K412-Y512 HydrophobicContact CD-CD2 4.27Å; K412-Y512 HydrophobicContact CD-CE1 4.31Å; K412-Y512 HydrophobicContact CD-CE2 3.99Å; K412-Y512 HydrophobicContact CG-CD1 3.6Å; K412-Y512 HydrophobicContact CG-CD2 4.05Å; K412-Y512 HydrophobicContact CG-CE1 3.59Å; K412-Y512 HydrophobicContact CG-CE2 4.03Å; K412-Y512 HydrophobicContact CG-CG 3.83Å; A415-Y512 HydrophobicContact CB-CD1 4.02Å; A415-Y512 HydrophobicContact CB-CG 4.36Å; G417-Y512 WeakPolarHBondContact O-CA 3.21Å; C507-Y512 CarbonylContact C-O 3.58Å; C507-Y512 VanDerWaalsContact CA-O 3.23Å; C507-Y512 WeakPolarHBondContact CA-O 3.43Å; D508-Y512 PolarHBondContact N-O 3.31Å; D508-Y512 PolarHBondContact OD1-N 2.77Å; D508-Y512 WeakPolarHBondContact OD2-CB 3.12Å; L510-Y512 HydrophobicContact CB-CD2 3.93Å; L510-Y512 HydrophobicContact CB-CE2 4.07Å; L510-Y512 HydrophobicContact CD1-CE2 4.33Å
513	I	96.4	Very high	85.4	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.1	-178.4	-62.3	173.2	0	0	0	108.6	I406 A415 V416 G417 V419 M505 C506 C507	I406-I513 HydrophobicContact CD1-CB 3.74Å; I406-I513 HydrophobicContact CD1-CD1 3.65Å; I406-I513 HydrophobicContact CD1-CG1 4.25Å; I406-I513 HydrophobicContact CD1-CG2 3.77Å; A415-I513 WeakPolarHBondContact CA-O 3.2Å; V416-I513 HydrophobicContact CG2-CG2 4.29Å; V416-I513 WeakPolarHBondContact CG2-O 3.37Å; V416-I513 PolarHBondContact N-O 2.75Å; G417-I513 PolarHBondContact O-N 2.87Å; V419-I513 HydrophobicContact CG1-CD1 3.93Å; V419-I513 HydrophobicContact CG2-CD1 4.15Å; M505-I513 HydrophobicContact CB-CG2 4.13Å; M505-I513 HydrophobicContact CG-CG2 4.37Å; M505-I513 HydrophobicContact SD-CG2 3.98Å; C506-I513 CarbonylContact O-C 3.52Å; C506-I513 WeakPolarHBondContact O-CA 3.41Å; C507-I513 HydrophobicContact CB-CG1 4.06Å
514	Y	93.2	Very high	84.4	Confident	55 Å²	55	34.6 Å²	34.6	22%	0.216	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.2	-178.8	-53.2	-90.7	0	0	0	109.1	K412 G414 A415 M505 C506 D508	K412-Y514 WeakPolarHBondContact CE-OH 3.34Å; G414-Y514 WeakPolarHBondContact O-CD1 3.39Å; A415-Y514 HydrophobicContact CB-CD1 4.22Å; A415-Y514 HydrophobicContact CB-CE1 3.82Å; M505-Y514 WeakPolarHBondContact CA-O 3.49Å; C506-Y514 PolarHBondContact N-O 2.84Å; C506-Y514 PolarHBondContact O-N 3.15Å; D508-Y514 HydrophobicContact CB-CE2 4.06Å; D508-Y514 WeakPolarHBondContact OD2-CE2 3.36Å; D508-Y514 PolarHBondContact OD2-OH 3.12Å
515	F	87.5	Confident	83.8	Confident	86 Å²	86	33.5 Å²	33.5	38%	0.377	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127	172.1	-179.3	-89.4	0	0	0	109.8	V416 D503 M505 D517 R518	V416-F515 HydrophobicContact CG1-CB 4.08Å; D503-F515 HydrophobicContact CB-CD2 4.49Å; D503-F515 HydrophobicContact CB-CE2 4.01Å; M505-F515 HydrophobicContact CE-CB 4.42Å; M505-F515 HydrophobicContact CE-CD2 3.65Å; M505-F515 HydrophobicContact CE-CE2 4.48Å; M505-F515 WeakPolarHBondContact SD-CA 3.25Å; M505-F515 HydrophobicContact SD-CB 4.03Å; M505-F515 HydrophobicContact SD-CD2 4.05Å; M505-F515 HydrophobicContact SD-CG 4.48Å; F515-D517 VanDerWaalsContact CZ-C 3.5Å; F515-R518 HydrophobicContact CZ-CG 4.12Å
516	I	81.4	Confident	82.6	Confident	43 Å²	43	38 Å²	38	22%	0.221	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-64.1	177.5	-54.2	-57.8	0	0	0	109.5	L504 C506 A533	L504-I516 HydrophobicContact CB-CB 4.34Å; L504-I516 HydrophobicContact CD2-CB 4.09Å; L504-I516 HydrophobicContact CD2-CG2 3.74Å; L504-I516 HydrophobicContact CG-CB 4.14Å; L504-I516 HydrophobicContact CG-CG2 4.34Å; L504-I516 WeakPolarHBondContact O-CB 3.47Å; L504-I516 PolarHBondContact O-N 2.84Å; C506-I516 HydrophobicContact CB-CD1 3.73Å; C506-I516 HydrophobicContact CB-CG1 3.77Å; I516-A533 WeakPolarHBondContact O-CB 3.33Å
517	D	76.6	Confident	80.9	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	174.9	-176.9	-149.5	-22.6	0	0	0	110.9	L504 F515 D521 S531 T532 A533	L504-D517 WeakPolarHBondContact CA-O 3.34Å; L504-D517 HydrophobicContact CB-CB 4.5Å; L504-D517 WeakPolarHBondContact CB-O 3.48Å; L504-D517 PolarHBondContact N-O 3.25Å; L504-D517 PolarHBondContact O-N 3.13Å; F515-D517 VanDerWaalsContact CZ-C 3.5Å; D517-D521 WeakPolarHBondContact OD1-CB 3.43Å; D517-S531 PolarHBondContact OD2-OG 2.65Å; D517-T532 PolarHBondContact OD2-N 2.95Å; D517-A533 HydrophobicContact CB-CB 3.98Å; D517-A533 WeakPolarHBondContact OD2-CB 3.35Å; D517-A533 PolarHBondContact OD2-N 3.46Å; D517-A533 VanDerWaalsContact OD2-N 3.11Å
518	R	77.9	Confident	79.6	Confident	92 Å²	92	42.7 Å²	42.7	35%	0.347	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.5	163.7	-62.3	-173.6	159.7	173.6	-6.1	109.4	F515 G520 D521	F515-R518 HydrophobicContact CZ-CG 4.12Å; R518-G520 PolarHBondContact O-N 3.07Å; R518-D521 HydrophobicContact CB-CB 3.96Å; R518-D521 PolarHBondContact O-N 3.24Å
519	L	74.5	Confident	78.2	Confident	22 Å²	22	44.5 Å²	44.5	12%	0.115	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.4	175.2	-64.5	-177.7	0	0	0	113.1	I434 K439 H460 G502 L504	I434-L519 HydrophobicContact CD1-CD1 4.27Å; I434-L519 HydrophobicContact CD1-CD2 3.18Å; I434-L519 HydrophobicContact CD1-CG 4.36Å; K439-L519 WeakPolarHBondContact CD-O 3.47Å; K439-L519 VanDerWaalsContact CE-O 3.23Å; K439-L519 WeakPolarHBondContact CE-O 3.47Å; K439-L519 PolarHBondContact NZ-O 3.01Å; H460-L519 HydrophobicContact CB-CD1 4.19Å; G502-L519 WeakPolarHBondContact O-CB 3.12Å; G502-L519 WeakPolarHBondContact O-CG 3.26Å; G502-L519 PolarHBondContact O-N 3.1Å; L504-L519 HydrophobicContact CB-CD2 4.02Å; L504-L519 HydrophobicContact CD1-CD2 4.05Å
520	G	66.5	Low	77.2	Confident	48 Å²	48	40.9 Å²	40.9	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.5	175.2	0	0	0	0	0	115.2	R518	R518-G520 PolarHBondContact O-N 3.07Å
521	D	69	Low	76.2	Confident	35 Å²	35	40.7 Å²	40.7	19%	0.187	21%	0.208	C	C	.	.	S	Bend	trans	-101.5	24.4	-167.7	-74.2	16	0	0	0	112.1	D517 R518 T532 K619	D517-D521 WeakPolarHBondContact OD1-CB 3.43Å; R518-D521 HydrophobicContact CB-CB 3.96Å; R518-D521 PolarHBondContact O-N 3.24Å; D521-T532 VanDerWaalsContact O-CB 3.25Å; D521-T532 WeakPolarHBondContact O-CB 3.47Å; D521-T532 WeakPolarHBondContact O-CG2 3.23Å; D521-T532 PolarHBondContact O-N 2.93Å; D521-T532 PolarHBondContact O-OG1 3.49Å; D521-K619 IonicContact OD2-NZ 3.36Å; D521-K619 PolarHBondContact OD2-NZ 3.37Å
522	T	67	Low	75.8	Confident	41 Å²	41	40.8 Å²	40.8	25%	0.252	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.5	167.9	60.5	0	0	0	0	110.7	V530	T522-V530 WeakPolarHBondContact CA-O 3.49Å
523	F	74.4	Confident	74.8	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.2	170	63.8	-91.7	0	0	0	110.4	V530 T532 V550 K561	F523-V530 HydrophobicContact CD1-CB 4.42Å; F523-V530 HydrophobicContact CD2-CB 4.01Å; F523-V530 HydrophobicContact CD2-CG2 4.28Å; F523-V530 HydrophobicContact CE1-CB 4Å; F523-V530 HydrophobicContact CE1-CG1 3.82Å; F523-V530 HydrophobicContact CE2-CB 3.58Å; F523-V530 HydrophobicContact CE2-CG1 3.89Å; F523-V530 HydrophobicContact CE2-CG2 3.75Å; F523-V530 HydrophobicContact CG-CB 4.42Å; F523-V530 HydrophobicContact CZ-CB 3.58Å; F523-V530 HydrophobicContact CZ-CG1 3.38Å; F523-V530 HydrophobicContact CZ-CG2 4.15Å; F523-V530 PolarHBondContact N-O 3.18Å; F523-V530 VanDerWaalsContact N-O 3.13Å; F523-V530 PolarHBondContact O-N 3.02Å; F523-T532 HydrophobicContact CD1-CG2 3.65Å; F523-T532 HydrophobicContact CE1-CG2 3.74Å; F523-V550 HydrophobicContact CE1-CG1 3.88Å; F523-V550 HydrophobicContact CZ-CG1 4.4Å; F523-K561 HydrophobicContact CB-CB 4.24Å; F523-K561 WeakPolarHBondContact CD2-O 3.38Å
524	R	66.6	Low	74	Confident	93 Å²	93	44.5 Å²	44.5	35%	0.351	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	-176.6	179.9	174.9	164.9	137.4	-1.5	109.9	N437 E528 E559 G560 K561	N437-R524 PolarHBondContact OD1-NH1 2.8Å; R524-E528 CarbonylContact C-O 3.51Å; R524-E528 VanDerWaalsContact CA-O 3.22Å; R524-E528 WeakPolarHBondContact CA-O 3.23Å; R524-E559 IonicContact NH2-OE1 3.82Å; R524-G560 CarbonylContact O-C 3.52Å; R524-G560 VanDerWaalsContact O-CA 3.29Å; R524-G560 WeakPolarHBondContact O-CA 2.94Å; R524-K561 PolarHBondContact O-N 3.03Å
525	W	74.5	Confident	73.7	Confident	8 Å²	8	41.9 Å²	41.9	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.3	-179.5	-172.9	-123.2	0	0	0	109.9	G527 E528 I555 T558 A562 I601 L665	W525-G527 PolarHBondContact O-N 3.3Å; W525-E528 PolarHBondContact N-O 2.69Å; W525-E528 PolarHBondContact O-N 3.19Å; W525-I555 HydrophobicContact CH2-CD1 3.9Å; W525-T558 HydrophobicContact CH2-CG2 4.02Å; W525-T558 WeakPolarHBondContact CZ3-OG1 3.08Å; W525-A562 HydrophobicContact CD2-CB 4.12Å; W525-A562 VanDerWaalsContact CE3-CA 3.43Å; W525-A562 HydrophobicContact CE3-CB 3.93Å; W525-A562 HydrophobicContact CH2-CB 3.82Å; W525-A562 HydrophobicContact CZ2-CB 4.02Å; W525-A562 HydrophobicContact CZ3-CB 3.75Å; W525-I601 VanDerWaalsContact CE2-CD1 3.47Å; W525-I601 HydrophobicContact CH2-CD1 4.25Å; W525-I601 HydrophobicContact CZ2-CD1 3.27Å; W525-L665 HydrophobicContact CZ2-CB 4.28Å
526	H	66.8	Low	73.8	Confident	93 Å²	93	39.2 Å²	39.2	43%	0.431	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	43.3	-173.1	-62.7	-76.2	0	0	0	114.9	E528 L665	H526-E528 VanDerWaalsContact C-N 3.28Å; H526-E528 PolarHBondContact O-N 3.11Å; H526-L665 PolarHBondContact CE1-O 2.93Å; H526-L665 VanDerWaalsContact CE1-O 3.26Å; H526-L665 PolarHBondContact NE2-O 3.3Å
527	G	57.4	Low	73.8	Confident	30 Å²	30	42.3 Å²	42.3	31%	0.309	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-16.3	178.7	0	0	0	0	0	115.4	W525	W525-G527 PolarHBondContact O-N 3.3Å
528	E	68.3	Low	74.2	Confident	97 Å²	97	42.6 Å²	42.6	45%	0.453	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143	-179.5	-65.2	-68.8	174	0	0	111.7	R524 W525 H526 Y597	R524-E528 CarbonylContact C-O 3.51Å; R524-E528 VanDerWaalsContact CA-O 3.22Å; R524-E528 WeakPolarHBondContact CA-O 3.23Å; W525-E528 PolarHBondContact N-O 2.69Å; W525-E528 PolarHBondContact O-N 3.19Å; H526-E528 VanDerWaalsContact C-N 3.28Å; H526-E528 PolarHBondContact O-N 3.11Å; E528-Y597 HydrophobicContact CB-CD1 4.3Å; E528-Y597 HydrophobicContact CB-CD2 3.37Å; E528-Y597 HydrophobicContact CB-CE2 3.83Å; E528-Y597 HydrophobicContact CB-CG 3.65Å; E528-Y597 HydrophobicContact CG-CD1 3.95Å; E528-Y597 HydrophobicContact CG-CD2 3.97Å; E528-Y597 HydrophobicContact CG-CE1 4.38Å; E528-Y597 HydrophobicContact CG-CE2 4.4Å; E528-Y597 HydrophobicContact CG-CG 3.74Å
529	N	67.3	Low	74.9	Confident	54 Å²	54	38.2 Å²	38.2	29%	0.289	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.3	175.1	-72.6	-68.4	0	0	0	110.5	V436	V436-N529 HydrophobicContact CG1-CB 4.03Å; V436-N529 VanDerWaalsContact CG1-ND2 3.31Å; V436-N529 WeakPolarHBondContact CG1-ND2 3.32Å
530	V	69.9	Low	75.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.2	179	-173.6	0	0	0	0	109.2	T522 F523 V535 Y597 A598	T522-V530 WeakPolarHBondContact CA-O 3.49Å; F523-V530 HydrophobicContact CD1-CB 4.42Å; F523-V530 HydrophobicContact CD2-CB 4.01Å; F523-V530 HydrophobicContact CD2-CG2 4.28Å; F523-V530 HydrophobicContact CE1-CB 4Å; F523-V530 HydrophobicContact CE1-CG1 3.82Å; F523-V530 HydrophobicContact CE2-CB 3.58Å; F523-V530 HydrophobicContact CE2-CG1 3.89Å; F523-V530 HydrophobicContact CE2-CG2 3.75Å; F523-V530 HydrophobicContact CG-CB 4.42Å; F523-V530 HydrophobicContact CZ-CB 3.58Å; F523-V530 HydrophobicContact CZ-CG1 3.38Å; F523-V530 HydrophobicContact CZ-CG2 4.15Å; F523-V530 PolarHBondContact N-O 3.18Å; F523-V530 VanDerWaalsContact N-O 3.13Å; F523-V530 PolarHBondContact O-N 3.02Å; V530-V535 HydrophobicContact CG1-CG2 3.58Å; V530-Y597 HydrophobicContact CG2-CD2 3.89Å; V530-Y597 HydrophobicContact CG2-CE2 4.28Å; V530-A598 HydrophobicContact CG1-CB 3.87Å; V530-A598 HydrophobicContact CG2-CB 4.23Å
531	S	74.7	Confident	76.4	Confident	21 Å²	21	41 Å²	41	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.7	169.9	168.7	0	0	0	0	109.4	D517 A533 E534 V535	D517-S531 PolarHBondContact OD2-OG 2.65Å; S531-A533 PolarHBondContact O-N 3.5Å; S531-A533 PolarHBondContact OG-N 2.77Å; S531-E534 PolarHBondContact O-N 2.87Å; S531-E534 PolarHBondContact OG-N 3.45Å; S531-V535 WeakPolarHBondContact O-CG2 3.38Å; S531-V535 PolarHBondContact O-N 2.93Å
532	T	85.1	Confident	77.4	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-34	174.9	60.2	0	0	0	0	110.7	D517 D521 F523 E534 V535 E536 V550 K619	D517-T532 PolarHBondContact OD2-N 2.95Å; D521-T532 VanDerWaalsContact O-CB 3.25Å; D521-T532 WeakPolarHBondContact O-CB 3.47Å; D521-T532 WeakPolarHBondContact O-CG2 3.23Å; D521-T532 PolarHBondContact O-N 2.93Å; D521-T532 PolarHBondContact O-OG1 3.49Å; F523-T532 HydrophobicContact CD1-CG2 3.65Å; F523-T532 HydrophobicContact CE1-CG2 3.74Å; T532-E534 PolarHBondContact O-N 3.05Å; T532-V535 PolarHBondContact O-N 3.25Å; T532-E536 VanDerWaalsContact O-CB 3.23Å; T532-E536 WeakPolarHBondContact O-CB 3.19Å; T532-E536 WeakPolarHBondContact O-CG 3.5Å; T532-E536 PolarHBondContact O-N 3.39Å; T532-V550 WeakPolarHBondContact CB-O 2.95Å; T532-V550 HydrophobicContact CG2-CB 4.29Å; T532-V550 HydrophobicContact CG2-CG1 4.17Å; T532-V550 WeakPolarHBondContact CG2-O 3.16Å; T532-K619 PolarHBondContact OG1-NZ 2.83Å
533	A	75.9	Confident	78.6	Confident	18 Å²	18	38.1 Å²	38.1	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-34.9	178.1	0	0	0	0	0	113.8	I516 D517 S531 R537	I516-A533 WeakPolarHBondContact O-CB 3.33Å; D517-A533 HydrophobicContact CB-CB 3.98Å; D517-A533 WeakPolarHBondContact OD2-CB 3.35Å; D517-A533 PolarHBondContact OD2-N 3.46Å; D517-A533 VanDerWaalsContact OD2-N 3.11Å; S531-A533 PolarHBondContact O-N 3.5Å; S531-A533 PolarHBondContact OG-N 2.77Å; A533-R537 WeakPolarHBondContact O-CB 3.46Å; A533-R537 PolarHBondContact O-N 2.73Å
534	E	79.3	Confident	79.1	Confident	79 Å²	79	40.1 Å²	40.1	37%	0.369	21%	0.211	S	C	.	.	H	α-helix	trans	-65.1	-47.5	173.7	180	176.6	-145.8	0	0	111.1	S531 T532 R537 V538 L594	S531-E534 PolarHBondContact O-N 2.87Å; S531-E534 PolarHBondContact OG-N 3.45Å; T532-E534 PolarHBondContact O-N 3.05Å; E534-R537 WeakPolarHBondContact O-CB 3.5Å; E534-R537 PolarHBondContact O-N 3.21Å; E534-V538 PolarHBondContact O-N 3.13Å; E534-L594 HydrophobicContact CG-CD2 4.18Å
535	V	87.1	Confident	79.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.2	-175.6	0	0	0	0	111	V530 S531 T532 R537 V538 L539 V550 F590 L594 A598 P600	V530-V535 HydrophobicContact CG1-CG2 3.58Å; S531-V535 WeakPolarHBondContact O-CG2 3.38Å; S531-V535 PolarHBondContact O-N 2.93Å; T532-V535 PolarHBondContact O-N 3.25Å; V535-R537 VanDerWaalsContact C-N 3.26Å; V535-R537 PolarHBondContact O-N 2.89Å; V535-V538 PolarHBondContact O-N 3.37Å; V535-L539 VanDerWaalsContact O-CB 3.32Å; V535-L539 WeakPolarHBondContact O-CB 3.41Å; V535-L539 PolarHBondContact O-N 2.99Å; V535-V550 HydrophobicContact CB-CB 4.41Å; V535-V550 HydrophobicContact CB-CG1 4.05Å; V535-V550 HydrophobicContact CB-CG2 4.04Å; V535-V550 HydrophobicContact CG1-CB 4.38Å; V535-V550 HydrophobicContact CG1-CG1 3.91Å; V535-V550 HydrophobicContact CG1-CG2 3.7Å; V535-F590 HydrophobicContact CG1-CE1 4.03Å; V535-F590 HydrophobicContact CG1-CZ 4.16Å; V535-L594 HydrophobicContact CB-CD1 4.3Å; V535-L594 HydrophobicContact CG1-CD1 3.84Å; V535-L594 HydrophobicContact CG2-CD1 4.14Å; V535-L594 HydrophobicContact CG2-CD2 4.44Å; V535-A598 HydrophobicContact CG2-CB 4.45Å; V535-A598 WeakPolarHBondContact CG2-O 3.16Å; V535-P600 HydrophobicContact CG1-CG 3.5Å; V535-P600 VanDerWaalsContact CG1-CG 3.5Å
536	E	89.2	Confident	80.3	Confident	30 Å²	30	40.4 Å²	40.4	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-35.9	174.5	-78.3	173.6	171.1	0	0	111.2	T532 L539 D540 T549 V550 K619	T532-E536 VanDerWaalsContact O-CB 3.23Å; T532-E536 WeakPolarHBondContact O-CB 3.19Å; T532-E536 WeakPolarHBondContact O-CG 3.5Å; T532-E536 PolarHBondContact O-N 3.39Å; E536-L539 PolarHBondContact O-N 3.05Å; E536-D540 WeakPolarHBondContact O-CB 3.32Å; E536-D540 PolarHBondContact O-N 2.95Å; E536-T549 VanDerWaalsContact OE1-CA 3.27Å; E536-T549 WeakPolarHBondContact OE1-CA 3.27Å; E536-T549 PolarHBondContact OE1-OG1 3.45Å; E536-V550 HydrophobicContact CB-CG2 4.46Å; E536-V550 HydrophobicContact CG-CB 3.83Å; E536-V550 HydrophobicContact CG-CG2 3.59Å; E536-V550 PolarHBondContact OE1-N 3.32Å; E536-K619 VanDerWaalsContact OE1-CE 3.28Å; E536-K619 WeakPolarHBondContact OE1-CE 3.17Å; E536-K619 IonicContact OE1-NZ 3.68Å; E536-K619 PolarHBondContact OE1-NZ 3.22Å
537	R	81.8	Confident	81	Confident	108 Å²	108	36.2 Å²	36.2	41%	0.408	20%	0.204	S	C	.	.	H	α-helix	trans	-64.4	-43.5	176.3	179.9	-174	-47.5	148.2	6.7	112.6	Q379 A533 E534 V535 Q541	Q379-R537 HydrophobicContact CG-CG 4.5Å; A533-R537 WeakPolarHBondContact O-CB 3.46Å; A533-R537 PolarHBondContact O-N 2.73Å; E534-R537 WeakPolarHBondContact O-CB 3.5Å; E534-R537 PolarHBondContact O-N 3.21Å; V535-R537 VanDerWaalsContact C-N 3.26Å; V535-R537 PolarHBondContact O-N 2.89Å; R537-Q541 WeakPolarHBondContact O-CG 3.29Å; R537-Q541 PolarHBondContact O-N 3.43Å
538	V	85.9	Confident	82.5	Confident	11 Å²	11	34.9 Å²	34.9	7%	0.067	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-38.3	176.8	-179.2	0	0	0	0	110.2	E534 V535 D540 Q541 A542 E589 F590 H593 L594	E534-V538 PolarHBondContact O-N 3.13Å; V535-V538 PolarHBondContact O-N 3.37Å; V538-D540 PolarHBondContact O-N 2.97Å; V538-Q541 WeakPolarHBondContact O-CB 3.36Å; V538-Q541 PolarHBondContact O-N 3.49Å; V538-A542 PolarHBondContact O-N 2.8Å; V538-E589 HydrophobicContact CG1-CB 3.96Å; V538-E589 WeakPolarHBondContact CG1-O 3.33Å; V538-F590 HydrophobicContact CB-CD1 4.21Å; V538-F590 HydrophobicContact CB-CE1 4.32Å; V538-F590 HydrophobicContact CG1-CD1 3.71Å; V538-F590 HydrophobicContact CG1-CE1 4.23Å; V538-H593 HydrophobicContact CG1-CB 3.86Å; V538-H593 HydrophobicContact CG2-CB 3.89Å; V538-L594 HydrophobicContact CB-CD1 4.29Å; V538-L594 HydrophobicContact CB-CD2 4.36Å; V538-L594 HydrophobicContact CB-CG 4.2Å; V538-L594 HydrophobicContact CG1-CD1 4.45Å; V538-L594 HydrophobicContact CG1-CG 4.28Å; V538-L594 HydrophobicContact CG2-CD1 4.5Å; V538-L594 HydrophobicContact CG2-CD2 3.7Å; V538-L594 HydrophobicContact CG2-CG 3.94Å
539	L	92.7	Very high	83.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.5	178.9	65	0	0	0	111.4	V535 E536 Q541 A542 I543 V550 A565 I567 I586 F590	V535-L539 VanDerWaalsContact O-CB 3.32Å; V535-L539 WeakPolarHBondContact O-CB 3.41Å; V535-L539 PolarHBondContact O-N 2.99Å; E536-L539 PolarHBondContact O-N 3.05Å; L539-Q541 PolarHBondContact O-N 2.84Å; L539-A542 WeakPolarHBondContact O-CA 3.28Å; L539-A542 WeakPolarHBondContact O-CB 3.47Å; L539-A542 PolarHBondContact O-N 3.5Å; L539-I543 HydrophobicContact CD1-CG2 3.61Å; L539-I543 HydrophobicContact CG-CD1 4.09Å; L539-I543 HydrophobicContact CG-CG2 4.17Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 WeakPolarHBondContact O-CG2 3.44Å; L539-I543 PolarHBondContact O-N 2.81Å; L539-V550 HydrophobicContact CD2-CG2 4.06Å; L539-A565 HydrophobicContact CD1-CB 4.37Å; L539-A565 HydrophobicContact CD2-CB 3.92Å; L539-I567 HydrophobicContact CD1-CD1 4.32Å; L539-I567 HydrophobicContact CD1-CG1 4.15Å; L539-I586 HydrophobicContact CD1-CD1 4.33Å; L539-I586 HydrophobicContact CD1-CG1 4.24Å; L539-I586 HydrophobicContact CD1-CG2 4.18Å; L539-F590 HydrophobicContact CB-CE1 3.9Å; L539-F590 HydrophobicContact CB-CZ 3.95Å; L539-F590 HydrophobicContact CD1-CE1 4.44Å; L539-F590 HydrophobicContact CD1-CZ 3.82Å; L539-F590 HydrophobicContact CG-CZ 4.4Å
540	D	86.8	Confident	84.6	Confident	24 Å²	24	28 Å²	28	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-37.2	178.8	-75.5	-17.2	0	0	0	111.8	R377 E536 V538 A542 G544	R377-D540 IonicContact CZ-OD2 2.73Å; R377-D540 IonicContact NH1-OD1 3.05Å; R377-D540 PolarHBondContact NH1-OD1 3.26Å; R377-D540 IonicContact NH1-OD2 2.99Å; R377-D540 PolarHBondContact NH1-OD2 3.28Å; E536-D540 WeakPolarHBondContact O-CB 3.32Å; E536-D540 PolarHBondContact O-N 2.95Å; V538-D540 PolarHBondContact O-N 2.97Å; D540-A542 VanDerWaalsContact C-N 3.35Å; D540-G544 PolarHBondContact O-N 3.27Å; D540-G544 VanDerWaalsContact O-N 3.12Å
541	Q	85.6	Confident	85.5	Confident	105 Å²	105	28.6 Å²	28.6	49%	0.491	16%	0.16	S	C	.	.	H	α-helix	trans	-64.9	-39.1	175.2	-68.8	172.4	-16	0	0	111.8	R537 V538 L539	R537-Q541 WeakPolarHBondContact O-CG 3.29Å; R537-Q541 PolarHBondContact O-N 3.43Å; V538-Q541 WeakPolarHBondContact O-CB 3.36Å; V538-Q541 PolarHBondContact O-N 3.49Å; L539-Q541 PolarHBondContact O-N 2.84Å
542	A	89.9	Confident	86.1	Confident	7 Å²	7	28.2 Å²	28.2	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-74.8	-37	-178.9	0	0	0	0	0	114	V538 L539 D540 I586 E589	V538-A542 PolarHBondContact O-N 2.8Å; L539-A542 WeakPolarHBondContact O-CA 3.28Å; L539-A542 WeakPolarHBondContact O-CB 3.47Å; L539-A542 PolarHBondContact O-N 3.5Å; D540-A542 VanDerWaalsContact C-N 3.35Å; A542-I586 HydrophobicContact CB-CB 4.35Å; A542-I586 HydrophobicContact CB-CG1 3.88Å; A542-E589 HydrophobicContact CB-CB 3.87Å; A542-E589 HydrophobicContact CB-CG 3.64Å
543	I	91.3	Very high	86.3	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-95.2	-10.6	-172.2	73.2	178.7	0	0	0	113.4	L539 T545 L546 G548 I567 L582 I586	L539-I543 HydrophobicContact CD1-CG2 3.61Å; L539-I543 HydrophobicContact CG-CD1 4.09Å; L539-I543 HydrophobicContact CG-CG2 4.17Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 WeakPolarHBondContact O-CG2 3.44Å; L539-I543 PolarHBondContact O-N 2.81Å; I543-T545 PolarHBondContact O-N 3.39Å; I543-T545 VanDerWaalsContact O-N 3.15Å; I543-L546 HydrophobicContact CB-CB 4.07Å; I543-L546 HydrophobicContact CB-CD1 4.37Å; I543-L546 HydrophobicContact CD1-CB 4.05Å; I543-L546 WeakPolarHBondContact CD1-O 3.27Å; I543-L546 HydrophobicContact CG1-CB 4.11Å; I543-L546 PolarHBondContact O-N 3.25Å; I543-G548 VanDerWaalsContact CD1-N 3.32Å; I543-I567 HydrophobicContact CD1-CG2 4.3Å; I543-I567 HydrophobicContact CG2-CG1 4.25Å; I543-I567 HydrophobicContact CG2-CG2 4.38Å; I543-L582 HydrophobicContact CB-CD1 4.47Å; I543-L582 HydrophobicContact CG2-CD1 4.23Å; I543-I586 HydrophobicContact CG2-CD1 3.79Å; I543-I586 HydrophobicContact CG2-CG1 3.81Å
544	G	84.2	Confident	86.6	Confident	54 Å²	54	31.1 Å²	31.1	56%	0.557	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	-109.1	176.9	0	0	0	0	0	112.5	D540	D540-G544 PolarHBondContact O-N 3.27Å; D540-G544 VanDerWaalsContact O-N 3.12Å
545	T	79.9	Confident	86.7	Confident	87 Å²	87	27.6 Å²	27.6	53%	0.534	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.8	-175.4	50.5	0	0	0	0	114.2	R352 C356 I543	R352-T545 PolarHBondContact NH1-O 2.86Å; C356-T545 WeakPolarHBondContact SG-CB 3.32Å; I543-T545 PolarHBondContact O-N 3.39Å; I543-T545 VanDerWaalsContact O-N 3.15Å
546	L	86.4	Confident	86.3	Confident	20 Å²	20	30.8 Å²	30.8	11%	0.105	18%	0.183	C	C	.	.	S	Bend	trans	-67.8	162.7	177.8	-60	176	0	0	0	111.4	I543 I567 L569 L572 L582	I543-L546 HydrophobicContact CB-CB 4.07Å; I543-L546 HydrophobicContact CB-CD1 4.37Å; I543-L546 HydrophobicContact CD1-CB 4.05Å; I543-L546 WeakPolarHBondContact CD1-O 3.27Å; I543-L546 HydrophobicContact CG1-CB 4.11Å; I543-L546 PolarHBondContact O-N 3.25Å; L546-I567 HydrophobicContact CB-CG2 4.02Å; L546-I567 HydrophobicContact CD1-CG2 3.91Å; L546-L569 HydrophobicContact CD1-CD2 4.25Å; L546-L572 HydrophobicContact CD2-CD1 3.65Å; L546-L582 HydrophobicContact CD1-CD1 4.27Å; L546-L582 HydrophobicContact CD1-CD2 3.91Å
547	T	83.2	Confident	85.4	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.3	177.5	-49.1	0	0	0	0	110.3	R352 I567 A568 E570 I617	R352-T547 PolarHBondContact NH2-OG1 2.94Å; T547-I567 CarbonylContact O-C 3.53Å; T547-I567 WeakPolarHBondContact O-CA 3.31Å; T547-A568 PolarHBondContact O-N 2.84Å; T547-E570 PolarHBondContact OG1-OE1 3.21Å; T547-I617 HydrophobicContact CG2-CD1 3.57Å; T547-I617 HydrophobicContact CG2-CG1 4.01Å
548	G	88.5	Confident	85.1	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.2	172.7	0	0	0	0	0	112.5	I543 A566	I543-G548 VanDerWaalsContact CD1-N 3.32Å; G548-A566 CarbonylContact C-O 3.58Å; G548-A566 WeakPolarHBondContact CA-O 3.17Å
549	T	89	Confident	84.2	Confident	6 Å²	6	35 Å²	35	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.3	160.2	-164.3	0	0	0	0	110.9	E536 F551 A565 A566 I617 K619 I622	E536-T549 VanDerWaalsContact OE1-CA 3.27Å; E536-T549 WeakPolarHBondContact OE1-CA 3.27Å; E536-T549 PolarHBondContact OE1-OG1 3.45Å; T549-F551 HydrophobicContact CG2-CD1 4.15Å; T549-F551 HydrophobicContact CG2-CE1 4.18Å; T549-A565 CarbonylContact O-C 3.38Å; T549-A565 WeakPolarHBondContact O-CA 3.48Å; T549-A566 HydrophobicContact CG2-CB 4.15Å; T549-A566 PolarHBondContact N-O 3.49Å; T549-A566 PolarHBondContact O-N 2.82Å; T549-I617 HydrophobicContact CG2-CB 4.13Å; T549-I617 HydrophobicContact CG2-CD1 3.79Å; T549-I617 HydrophobicContact CG2-CG2 3.74Å; T549-K619 WeakPolarHBondContact OG1-CE 3.43Å; T549-I622 HydrophobicContact CG2-CG2 4.31Å
550	V	90.4	Very high	83	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.6	178.9	-177.3	0	0	0	0	109.9	F523 T532 V535 E536 L539 M564 A565	F523-V550 HydrophobicContact CE1-CG1 3.88Å; F523-V550 HydrophobicContact CZ-CG1 4.4Å; T532-V550 WeakPolarHBondContact CB-O 2.95Å; T532-V550 HydrophobicContact CG2-CB 4.29Å; T532-V550 HydrophobicContact CG2-CG1 4.17Å; T532-V550 WeakPolarHBondContact CG2-O 3.16Å; V535-V550 HydrophobicContact CB-CB 4.41Å; V535-V550 HydrophobicContact CB-CG1 4.05Å; V535-V550 HydrophobicContact CB-CG2 4.04Å; V535-V550 HydrophobicContact CG1-CB 4.38Å; V535-V550 HydrophobicContact CG1-CG1 3.91Å; V535-V550 HydrophobicContact CG1-CG2 3.7Å; E536-V550 HydrophobicContact CB-CG2 4.46Å; E536-V550 HydrophobicContact CG-CB 3.83Å; E536-V550 HydrophobicContact CG-CG2 3.59Å; E536-V550 PolarHBondContact OE1-N 3.32Å; L539-V550 HydrophobicContact CD2-CG2 4.06Å; V550-M564 VanDerWaalsContact CA-O 3.29Å; V550-M564 WeakPolarHBondContact CA-O 3.23Å; V550-A565 HydrophobicContact CG2-CB 4.16Å
551	F	88.6	Confident	82.8	Confident	13 Å²	13	40.1 Å²	40.1	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.5	174.8	51.9	-89.6	0	0	0	110.4	T549 V553 M564 A566 I622 S623	T549-F551 HydrophobicContact CG2-CD1 4.15Å; T549-F551 HydrophobicContact CG2-CE1 4.18Å; F551-V553 HydrophobicContact CD2-CG1 3.72Å; F551-V553 HydrophobicContact CE2-CG1 3.46Å; F551-V553 VanDerWaalsContact CE2-CG1 3.46Å; F551-M564 HydrophobicContact CD2-CB 4.21Å; F551-M564 HydrophobicContact CE2-CB 3.86Å; F551-M564 HydrophobicContact CE2-CG 3.82Å; F551-M564 HydrophobicContact CE2-SD 3.62Å; F551-M564 HydrophobicContact CZ-CB 4.23Å; F551-M564 HydrophobicContact CZ-CE 4.41Å; F551-M564 HydrophobicContact CZ-CG 3.78Å; F551-M564 HydrophobicContact CZ-SD 3.75Å; F551-M564 PolarHBondContact N-O 2.87Å; F551-M564 PolarHBondContact O-N 3.36Å; F551-A566 HydrophobicContact CE1-CB 3.83Å; F551-A566 HydrophobicContact CZ-CB 4.33Å; F551-I622 HydrophobicContact CD1-CG2 4.14Å; F551-I622 HydrophobicContact CE1-CB 4.36Å; F551-I622 HydrophobicContact CE1-CG1 3.91Å; F551-I622 HydrophobicContact CE1-CG2 3.64Å; F551-I622 HydrophobicContact CZ-CG1 3.95Å; F551-I622 HydrophobicContact CZ-CG2 4.19Å; F551-S623 VanDerWaalsContact CE2-CA 3.47Å
552	G	87.6	Confident	82.9	Confident	13 Å²	13	35.1 Å²	35.1	13%	0.134	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.2	173.6	0	0	0	0	0	112.2	A562	G552-A562 CarbonylContact C-O 3.36Å; G552-A562 WeakPolarHBondContact CA-O 3.39Å
553	V	89.3	Confident	83	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.03	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.4	171.8	-65.4	0	0	0	0	111.1	F551 K561 A562 M564 F602 F627	F551-V553 HydrophobicContact CD2-CG1 3.72Å; F551-V553 HydrophobicContact CE2-CG1 3.46Å; F551-V553 VanDerWaalsContact CE2-CG1 3.46Å; V553-K561 CarbonylContact O-C 3.57Å; V553-K561 WeakPolarHBondContact O-CA 3.32Å; V553-A562 HydrophobicContact CG2-CB 4.36Å; V553-A562 PolarHBondContact N-O 3.3Å; V553-A562 PolarHBondContact O-N 2.77Å; V553-M564 HydrophobicContact CG1-CB 3.91Å; V553-M564 HydrophobicContact CG1-CG 4.41Å; V553-M564 HydrophobicContact CG1-SD 3.64Å; V553-M564 HydrophobicContact CG2-CB 3.99Å; V553-M564 HydrophobicContact CG2-SD 4.37Å; V553-F602 HydrophobicContact CG2-CD2 3.58Å; V553-F602 HydrophobicContact CG2-CE2 3.86Å; V553-F627 HydrophobicContact CG2-CD1 4.15Å
554	S	82	Confident	83.2	Confident	77 Å²	77	34.5 Å²	34.5	54%	0.538	23%	0.233	S	C	.	.			trans	-83.8	130.4	178.8	-67.1	0	0	0	0	110.7	F627	S554-F627 WeakPolarHBondContact O-CE1 3.22Å
555	I	81.6	Confident	83.7	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.031	21%	0.206	C	C	.	.			trans	-104.3	128.1	168.9	-52.4	177.6	0	0	0	107.4	W525 T558 A562 F602 F627 I658 L665	W525-I555 HydrophobicContact CH2-CD1 3.9Å; I555-T558 HydrophobicContact CB-CG2 4.14Å; I555-T558 WeakPolarHBondContact CB-OG1 3.08Å; I555-T558 HydrophobicContact CG2-CG2 4.21Å; I555-T558 PolarHBondContact O-N 2.85Å; I555-T558 PolarHBondContact O-OG1 3.24Å; I555-A562 HydrophobicContact CD1-CB 3.67Å; I555-A562 HydrophobicContact CG1-CB 4.02Å; I555-F602 HydrophobicContact CD1-CE2 3.57Å; I555-F602 HydrophobicContact CD1-CZ 3.73Å; I555-F602 HydrophobicContact CG1-CE2 3.83Å; I555-F602 HydrophobicContact CG1-CZ 4.08Å; I555-F627 HydrophobicContact CG1-CE1 4.04Å; I555-F627 HydrophobicContact CG1-CZ 4.45Å; I555-F627 HydrophobicContact CG2-CZ 4.48Å; I555-I658 HydrophobicContact CG2-CG2 3.97Å; I555-L665 HydrophobicContact CD1-CD1 3.5Å; I555-L665 VanDerWaalsContact CD1-CD1 3.5Å; I555-L665 HydrophobicContact CG2-CD1 4.43Å
556	P	77.7	Confident	84.4	Confident	66 Å²	66	27.8 Å²	27.8	43%	0.429	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	141.1	174.8	-27	35.7	0	0	0	112.1	T558 N659	P556-T558 VanDerWaalsContact C-N 3.25Å; P556-T558 PolarHBondContact O-N 3.36Å; P556-N659 VanDerWaalsContact CD-OD1 3.3Å; P556-N659 WeakPolarHBondContact CD-OD1 3.28Å; P556-N659 HydrophobicContact CG-CB 4.45Å; P556-N659 WeakPolarHBondContact CG-OD1 3.46Å
557	G	71.8	Confident	84.7	Confident	79 Å²	79	26.8 Å²	26.8	81%	0.814	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-12.1	179.4	0	0	0	0	0	116.1
558	T	74.8	Confident	85	Confident	32 Å²	32	26.7 Å²	26.7	20%	0.196	18%	0.175	C	C	.	.	S	Bend	trans	-103.3	149.6	-176.9	67.8	0	0	0	0	113.2	W525 I555 P556	W525-T558 HydrophobicContact CH2-CG2 4.02Å; W525-T558 WeakPolarHBondContact CZ3-OG1 3.08Å; I555-T558 HydrophobicContact CB-CG2 4.14Å; I555-T558 WeakPolarHBondContact CB-OG1 3.08Å; I555-T558 HydrophobicContact CG2-CG2 4.21Å; I555-T558 PolarHBondContact O-N 2.85Å; I555-T558 PolarHBondContact O-OG1 3.24Å; P556-T558 VanDerWaalsContact C-N 3.25Å; P556-T558 PolarHBondContact O-N 3.36Å
559	E	67.1	Low	85	Confident	127 Å²	127	26.6 Å²	26.6	59%	0.593	17%	0.174	S	C	*	.	S	Bend	trans	-83.1	125	172.8	-168.1	-166.4	150.4	0	0	110.9	R524	R524-E559 IonicContact NH2-OE1 3.82Å
560	G	68.2	Low	84.5	Confident	33 Å²	33	30.5 Å²	30.5	34%	0.34	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	94.6	-146.8	175.5	0	0	0	0	0	113.2	R524	R524-G560 CarbonylContact O-C 3.52Å; R524-G560 VanDerWaalsContact O-CA 3.29Å; R524-G560 WeakPolarHBondContact O-CA 2.94Å
561	K	81.8	Confident	83.6	Confident	98 Å²	98	32.8 Å²	32.8	43%	0.426	22%	0.215	S	C	.	.			trans	-137	122.8	-177.7	-67.1	-171.4	174.7	-169	0	109.6	F523 R524 V553	F523-K561 HydrophobicContact CB-CB 4.24Å; F523-K561 WeakPolarHBondContact CD2-O 3.38Å; R524-K561 PolarHBondContact O-N 3.03Å; V553-K561 CarbonylContact O-C 3.57Å; V553-K561 WeakPolarHBondContact O-CA 3.32Å
562	A	88.3	Confident	83.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.4	174	0	0	0	0	0	110.5	W525 G552 V553 I555 I601 F602	W525-A562 HydrophobicContact CD2-CB 4.12Å; W525-A562 VanDerWaalsContact CE3-CA 3.43Å; W525-A562 HydrophobicContact CE3-CB 3.93Å; W525-A562 HydrophobicContact CH2-CB 3.82Å; W525-A562 HydrophobicContact CZ2-CB 4.02Å; W525-A562 HydrophobicContact CZ3-CB 3.75Å; G552-A562 CarbonylContact C-O 3.36Å; G552-A562 WeakPolarHBondContact CA-O 3.39Å; V553-A562 HydrophobicContact CG2-CB 4.36Å; V553-A562 PolarHBondContact N-O 3.3Å; V553-A562 PolarHBondContact O-N 2.77Å; I555-A562 HydrophobicContact CD1-CB 3.67Å; I555-A562 HydrophobicContact CG1-CB 4.02Å; A562-I601 HydrophobicContact CB-CB 4.28Å; A562-I601 HydrophobicContact CB-CD1 3.92Å; A562-I601 HydrophobicContact CB-CG1 4.36Å; A562-F602 HydrophobicContact CB-CD2 4.41Å; A562-F602 HydrophobicContact CB-CE2 4.09Å
563	G	92	Very high	82.8	Confident	1 Å²	1	45 Å²	45	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.1	175.2	0	0	0	0	0	111.9	P600 I601 F602	G563-P600 CarbonylContact O-C 3.48Å; G563-P600 VanDerWaalsContact O-CA 3.23Å; G563-P600 WeakPolarHBondContact O-CA 3.32Å; G563-I601 PolarHBondContact O-N 3.01Å; G563-F602 PolarHBondContact O-N 3.19Å
564	M	95.1	Very high	82.7	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.2	172.2	-179.9	164.8	-171.5	0	0	110.1	V550 F551 V553 F602 R604 G626	V550-M564 VanDerWaalsContact CA-O 3.29Å; V550-M564 WeakPolarHBondContact CA-O 3.23Å; F551-M564 HydrophobicContact CD2-CB 4.21Å; F551-M564 HydrophobicContact CE2-CB 3.86Å; F551-M564 HydrophobicContact CE2-CG 3.82Å; F551-M564 HydrophobicContact CE2-SD 3.62Å; F551-M564 HydrophobicContact CZ-CB 4.23Å; F551-M564 HydrophobicContact CZ-CE 4.41Å; F551-M564 HydrophobicContact CZ-CG 3.78Å; F551-M564 HydrophobicContact CZ-SD 3.75Å; F551-M564 PolarHBondContact N-O 2.87Å; F551-M564 PolarHBondContact O-N 3.36Å; V553-M564 HydrophobicContact CG1-CB 3.91Å; V553-M564 HydrophobicContact CG1-CG 4.41Å; V553-M564 HydrophobicContact CG1-SD 3.64Å; V553-M564 HydrophobicContact CG2-CB 3.99Å; V553-M564 HydrophobicContact CG2-SD 4.37Å; M564-F602 CarbonylContact C-O 3.51Å; M564-F602 VanDerWaalsContact CA-O 3.3Å; M564-F602 WeakPolarHBondContact CA-O 3.44Å; M564-F602 HydrophobicContact CB-CB 4.08Å; M564-F602 HydrophobicContact CE-CB 4.43Å; M564-F602 HydrophobicContact CG-CB 3.82Å; M564-F602 HydrophobicContact SD-CB 4.13Å; M564-R604 HydrophobicContact CE-CB 3.28Å; M564-R604 HydrophobicContact CE-CG 4.22Å; M564-G626 VanDerWaalsContact CE-O 3.25Å; M564-G626 WeakPolarHBondContact CE-O 3.25Å
565	A	95.3	Very high	83.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.2	171.7	0	0	0	0	0	110.2	L539 T549 V550 I567 F590 P600 F602 L603 R604	L539-A565 HydrophobicContact CD1-CB 4.37Å; L539-A565 HydrophobicContact CD2-CB 3.92Å; T549-A565 CarbonylContact O-C 3.38Å; T549-A565 WeakPolarHBondContact O-CA 3.48Å; V550-A565 HydrophobicContact CG2-CB 4.16Å; A565-I567 HydrophobicContact CB-CD1 4.21Å; A565-F590 HydrophobicContact CB-CZ 4.48Å; A565-P600 HydrophobicContact CB-CB 4.18Å; A565-P600 HydrophobicContact CB-CG 4.12Å; A565-F602 PolarHBondContact N-O 2.96Å; A565-L603 HydrophobicContact CB-CD2 3.83Å; A565-L603 CarbonylContact O-C 3.55Å; A565-L603 VanDerWaalsContact O-CA 3.24Å; A565-L603 WeakPolarHBondContact O-CA 3.39Å; A565-R604 PolarHBondContact O-N 3.29Å
566	A	94	Very high	83.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.2	171.8	0	0	0	0	0	109.9	G548 T549 F551 R604 I622	G548-A566 CarbonylContact C-O 3.58Å; G548-A566 WeakPolarHBondContact CA-O 3.17Å; T549-A566 HydrophobicContact CG2-CB 4.15Å; T549-A566 PolarHBondContact N-O 3.49Å; T549-A566 PolarHBondContact O-N 2.82Å; F551-A566 HydrophobicContact CE1-CB 3.83Å; F551-A566 HydrophobicContact CZ-CB 4.33Å; A566-R604 CarbonylContact C-O 3.56Å; A566-R604 WeakPolarHBondContact CA-O 3.33Å; A566-I622 HydrophobicContact CB-CD1 4.34Å; A566-I622 HydrophobicContact CB-CG1 3.69Å
567	I	93.2	Very high	84.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	-175.4	-57.9	90.1	0	0	0	108.9	L539 I543 L546 T547 A565 L569 I586 L603 R604 L605 C606	L539-I567 HydrophobicContact CD1-CD1 4.32Å; L539-I567 HydrophobicContact CD1-CG1 4.15Å; I543-I567 HydrophobicContact CD1-CG2 4.3Å; I543-I567 HydrophobicContact CG2-CG1 4.25Å; I543-I567 HydrophobicContact CG2-CG2 4.38Å; L546-I567 HydrophobicContact CB-CG2 4.02Å; L546-I567 HydrophobicContact CD1-CG2 3.91Å; T547-I567 CarbonylContact O-C 3.53Å; T547-I567 WeakPolarHBondContact O-CA 3.31Å; A565-I567 HydrophobicContact CB-CD1 4.21Å; I567-L569 PolarHBondContact O-N 3Å; I567-I586 HydrophobicContact CD1-CD1 4.27Å; I567-I586 HydrophobicContact CG1-CD1 4.47Å; I567-L603 HydrophobicContact CD1-CB 4.45Å; I567-R604 PolarHBondContact N-O 3.49Å; I567-L605 HydrophobicContact CB-CD2 3.86Å; I567-L605 HydrophobicContact CD1-CD2 3.91Å; I567-L605 HydrophobicContact CG1-CD2 4.26Å; I567-L605 HydrophobicContact CG2-CD2 4.45Å; I567-C606 PolarHBondContact O-N 3.25Å
568	A	89.7	Confident	85.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.4	174.2	0	0	0	0	0	110.2	T547 E570 L609	T547-A568 PolarHBondContact O-N 2.84Å; A568-E570 VanDerWaalsContact C-N 3.34Å; A568-E570 HydrophobicContact CB-CG 3.93Å; A568-L609 HydrophobicContact CB-CB 4.42Å; A568-L609 HydrophobicContact CB-CD1 3.86Å; A568-L609 HydrophobicContact CB-CG 4.45Å
569	L	87.7	Confident	86	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.283	C	S	.	.			trans	-82.6	-14.4	171.1	-61.2	-178.1	0	0	0	112.4	L546 I567 G571 L572 L574 L582 L605 C606	L546-L569 HydrophobicContact CD1-CD2 4.25Å; I567-L569 PolarHBondContact O-N 3Å; L569-G571 PolarHBondContact O-N 3.14Å; L569-G571 VanDerWaalsContact O-N 3.13Å; L569-L572 HydrophobicContact CB-CB 4.48Å; L569-L572 WeakPolarHBondContact O-CB 3.42Å; L569-L572 WeakPolarHBondContact O-CD1 3.29Å; L569-L572 VanDerWaalsContact O-CG 3.27Å; L569-L572 WeakPolarHBondContact O-CG 3.46Å; L569-L572 PolarHBondContact O-N 3.37Å; L569-L574 HydrophobicContact CD1-CD1 4.4Å; L569-L574 HydrophobicContact CD2-CD1 3.75Å; L569-L574 HydrophobicContact CD2-CG 4.39Å; L569-L582 HydrophobicContact CD2-CD2 4.36Å; L569-L605 HydrophobicContact CD1-CB 4.17Å; L569-L605 HydrophobicContact CG-CB 4.48Å; L569-C606 PolarHBondContact N-O 3.14Å
570	E	77.4	Confident	87.3	Confident	88 Å²	88	51.9 Å²	51.9	41%	0.411	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.2	174.8	-60.3	-179.5	-173.7	0	0	112.8	R352 T547 A568	R352-E570 IonicContact NH1-OE1 3.02Å; R352-E570 IonicContact NH2-OE1 3.4Å; R352-E570 PolarHBondContact NH2-OE1 3.14Å; T547-E570 PolarHBondContact OG1-OE1 3.21Å; A568-E570 VanDerWaalsContact C-N 3.34Å; A568-E570 HydrophobicContact CB-CG 3.93Å
571	G	71.9	Confident	88.5	Confident	48 Å²	48	54.5 Å²	54.5	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-0.4	-178.1	0	0	0	0	0	115.8	L569 K573 Q607	L569-G571 PolarHBondContact O-N 3.14Å; L569-G571 VanDerWaalsContact O-N 3.13Å; G571-K573 PolarHBondContact O-N 3.33Å; G571-Q607 PolarHBondContact N-O 2.78Å
572	L	78.9	Confident	89.1	Confident	93 Å²	93	50 Å²	50	49%	0.487	27%	0.269	S	S	.	.			trans	-64.8	114.8	169.1	-67.1	166.9	0	0	0	109.7	L546 L569 L574	L546-L572 HydrophobicContact CD2-CD1 3.65Å; L569-L572 HydrophobicContact CB-CB 4.48Å; L569-L572 WeakPolarHBondContact O-CB 3.42Å; L569-L572 WeakPolarHBondContact O-CD1 3.29Å; L569-L572 VanDerWaalsContact O-CG 3.27Å; L569-L572 WeakPolarHBondContact O-CG 3.46Å; L569-L572 PolarHBondContact O-N 3.37Å; L572-L574 PolarHBondContact O-N 3.4Å
573	K	81.2	Confident	89.5	Confident	188 Å²	188	50.5 Å²	50.5	82%	0.817	27%	0.272	S	S	*	.			trans	-85.8	93.5	170.6	-69	-171.4	177.9	-174.3	0	109.1	G571	G571-K573 PolarHBondContact O-N 3.33Å
574	L	86.1	Confident	89.7	Confident	48 Å²	48	56.3 Å²	56.3	25%	0.251	30%	0.299	S	S	.	.			trans	-70.4	136.7	171.3	-57.5	-179.3	0	0	0	109.2	L569 L572 E578 E579 L582	L569-L574 HydrophobicContact CD1-CD1 4.4Å; L569-L574 HydrophobicContact CD2-CD1 3.75Å; L569-L574 HydrophobicContact CD2-CG 4.39Å; L572-L574 PolarHBondContact O-N 3.4Å; L574-E578 WeakPolarHBondContact CA-OE2 3.07Å; L574-E578 HydrophobicContact CB-CB 4.11Å; L574-E578 HydrophobicContact CD2-CB 4.16Å; L574-E579 HydrophobicContact CB-CB 4.24Å; L574-L582 HydrophobicContact CD1-CD2 3.82Å
575	N	90.5	Very high	89.7	Confident	83 Å²	83	62.4 Å²	62.4	44%	0.444	32%	0.322	S	S	.	.			trans	-76	167.3	163.6	68.4	57.1	0	0	0	110.4	T577 E578 E579	N575-T577 VanDerWaalsContact C-N 3.26Å; N575-T577 PolarHBondContact O-N 2.87Å; N575-T577 WeakPolarHBondContact OD1-CB 3.34Å; N575-T577 PolarHBondContact OD1-N 2.68Å; N575-E578 PolarHBondContact N-OE2 2.78Å; N575-E578 WeakPolarHBondContact ND2-CG 3.45Å; N575-E578 PolarHBondContact ND2-OE2 2.82Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; N575-E578 PolarHBondContact OD1-N 3.43Å; N575-E579 PolarHBondContact O-N 3.05Å
576	S	88.9	Confident	89.8	Confident	89 Å²	89	62.4 Å²	62.4	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-54.8	-39.5	-176.2	-53.1	0	0	0	0	113.3	E579 E580	S576-E579 PolarHBondContact O-N 2.92Å; S576-E580 WeakPolarHBondContact O-CB 3.47Å; S576-E580 VanDerWaalsContact O-CG 3.31Å; S576-E580 WeakPolarHBondContact O-CG 3.48Å; S576-E580 PolarHBondContact O-N 3.13Å
577	T	92.4	Very high	89.9	Confident	87 Å²	87	63.2 Å²	63.2	53%	0.534	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-39.6	179.2	-53.2	0	0	0	0	112.2	N575 E579 N581	N575-T577 VanDerWaalsContact C-N 3.26Å; N575-T577 PolarHBondContact O-N 2.87Å; N575-T577 WeakPolarHBondContact OD1-CB 3.34Å; N575-T577 PolarHBondContact OD1-N 2.68Å; T577-E579 VanDerWaalsContact C-N 3.34Å; T577-N581 WeakPolarHBondContact O-CB 3.33Å; T577-N581 PolarHBondContact O-N 3.13Å; T577-N581 PolarHBondContact O-ND2 2.97Å
578	E	92.5	Very high	90	Very high	92 Å²	92	68.2 Å²	68.2	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-39.7	175.7	-71.1	170.3	153.1	0	0	111.8	L574 N575 N581 L582	L574-E578 WeakPolarHBondContact CA-OE2 3.07Å; L574-E578 HydrophobicContact CB-CB 4.11Å; L574-E578 HydrophobicContact CD2-CB 4.16Å; N575-E578 PolarHBondContact N-OE2 2.78Å; N575-E578 WeakPolarHBondContact ND2-CG 3.45Å; N575-E578 PolarHBondContact ND2-OE2 2.82Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; N575-E578 PolarHBondContact OD1-N 3.43Å; E578-N581 PolarHBondContact O-N 3.25Å; E578-L582 WeakPolarHBondContact O-CB 3.45Å; E578-L582 PolarHBondContact O-N 2.95Å
579	E	93.9	Very high	90.1	Very high	12 Å²	12	70.2 Å²	70.2	6%	0.056	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-48.2	177.3	-169.6	172.9	155.5	0	0	111.8	L574 N575 S576 T577 N581 L582 V583 L605 H636 Y638	L574-E579 HydrophobicContact CB-CB 4.24Å; N575-E579 PolarHBondContact O-N 3.05Å; S576-E579 PolarHBondContact O-N 2.92Å; T577-E579 VanDerWaalsContact C-N 3.34Å; E579-N581 VanDerWaalsContact C-N 3.3Å; E579-N581 PolarHBondContact O-N 3.5Å; E579-L582 WeakPolarHBondContact O-CB 3.44Å; E579-L582 PolarHBondContact O-N 3.3Å; E579-L582 VanDerWaalsContact O-N 3.13Å; E579-V583 WeakPolarHBondContact O-CG2 2.89Å; E579-V583 PolarHBondContact O-N 3.13Å; E579-L605 HydrophobicContact CG-CD1 3.44Å; E579-L605 VanDerWaalsContact CG-CD1 3.44Å; E579-L605 WeakPolarHBondContact OE1-CD1 3.22Å; E579-H636 VanDerWaalsContact CD-ND1 3.27Å; E579-H636 WeakPolarHBondContact OE1-CB 3.41Å; E579-H636 IonicContact OE1-CE1 3.82Å; E579-H636 IonicContact OE1-CG 3.43Å; E579-H636 IonicContact OE1-ND1 3.93Å; E579-H636 PolarHBondContact OE1-ND1 2.88Å; E579-H636 IonicContact OE2-CE1 3.53Å; E579-H636 IonicContact OE2-ND1 2.7Å; E579-H636 PolarHBondContact OE2-ND1 2.77Å; E579-Y638 WeakPolarHBondContact OE1-CE2 3.31Å; E579-Y638 PolarHBondContact OE1-OH 3Å
580	E	93.6	Very high	90.4	Very high	126 Å²	126	70.1 Å²	70.1	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-58.1	-42.6	174.6	-77.6	174.9	-176.3	0	0	111.8	S576 L582 V583 H584	S576-E580 WeakPolarHBondContact O-CB 3.47Å; S576-E580 VanDerWaalsContact O-CG 3.31Å; S576-E580 WeakPolarHBondContact O-CG 3.48Å; S576-E580 PolarHBondContact O-N 3.13Å; E580-L582 PolarHBondContact O-N 3.5Å; E580-V583 PolarHBondContact O-N 2.97Å; E580-H584 WeakPolarHBondContact O-CB 3.38Å; E580-H584 PolarHBondContact O-N 3.42Å
581	N	94.7	Very high	90.9	Very high	88 Å²	88	69.5 Å²	69.5	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-40.8	175.8	-77.7	-38.9	0	0	0	112.1	T577 E578 E579 H584 R585	T577-N581 WeakPolarHBondContact O-CB 3.33Å; T577-N581 PolarHBondContact O-N 3.13Å; T577-N581 PolarHBondContact O-ND2 2.97Å; E578-N581 PolarHBondContact O-N 3.25Å; E579-N581 VanDerWaalsContact C-N 3.3Å; E579-N581 PolarHBondContact O-N 3.5Å; N581-H584 PolarHBondContact O-N 3.26Å; N581-R585 WeakPolarHBondContact O-CG 3.24Å; N581-R585 PolarHBondContact O-N 3.36Å
582	L	94.7	Very high	91.7	Very high	4 Å²	4	72.8 Å²	72.8	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-49.7	175.7	176	62.9	0	0	0	111	I543 L546 L569 L574 E578 E579 E580 H584 R585 I586 L605	I543-L582 HydrophobicContact CB-CD1 4.47Å; I543-L582 HydrophobicContact CG2-CD1 4.23Å; L546-L582 HydrophobicContact CD1-CD1 4.27Å; L546-L582 HydrophobicContact CD1-CD2 3.91Å; L569-L582 HydrophobicContact CD2-CD2 4.36Å; L574-L582 HydrophobicContact CD1-CD2 3.82Å; E578-L582 WeakPolarHBondContact O-CB 3.45Å; E578-L582 PolarHBondContact O-N 2.95Å; E579-L582 WeakPolarHBondContact O-CB 3.44Å; E579-L582 PolarHBondContact O-N 3.3Å; E579-L582 VanDerWaalsContact O-N 3.13Å; E580-L582 PolarHBondContact O-N 3.5Å; L582-H584 VanDerWaalsContact C-N 3.32Å; L582-H584 PolarHBondContact O-N 3.45Å; L582-R585 PolarHBondContact O-N 2.84Å; L582-I586 HydrophobicContact CD1-CD1 4.16Å; L582-I586 HydrophobicContact CD1-CG1 4.46Å; L582-I586 HydrophobicContact CG-CD1 4.03Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.36Å; L582-I586 PolarHBondContact O-N 3.43Å; L582-L605 HydrophobicContact CD2-CD2 4.31Å
583	V	96.6	Very high	91.9	Very high	10 Å²	10	73.1 Å²	73.1	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-40	178.7	172.6	0	0	0	0	111.2	E579 E580 I586 N587 L603 L605 Y638 Y647	E579-V583 WeakPolarHBondContact O-CG2 2.89Å; E579-V583 PolarHBondContact O-N 3.13Å; E580-V583 PolarHBondContact O-N 2.97Å; V583-I586 PolarHBondContact O-N 3.17Å; V583-N587 WeakPolarHBondContact O-CB 3.49Å; V583-N587 PolarHBondContact O-N 2.86Å; V583-L603 HydrophobicContact CG1-CD1 4.1Å; V583-L603 HydrophobicContact CG2-CD1 4.48Å; V583-L605 HydrophobicContact CG2-CD1 4.28Å; V583-Y638 HydrophobicContact CG1-CD1 4.17Å; V583-Y638 HydrophobicContact CG1-CE1 4.34Å; V583-Y638 HydrophobicContact CG2-CD1 4.39Å; V583-Y638 HydrophobicContact CG2-CD2 4.18Å; V583-Y638 HydrophobicContact CG2-CE1 4.12Å; V583-Y638 HydrophobicContact CG2-CE2 3.9Å; V583-Y638 HydrophobicContact CG2-CG 4.42Å; V583-Y647 HydrophobicContact CG1-CD2 4.05Å; V583-Y647 HydrophobicContact CG1-CG 4.06Å
584	H	95.8	Very high	92	Very high	123 Å²	123	64.7 Å²	64.7	57%	0.569	32%	0.324	S	S	*	.	H	α-helix	trans	-63.2	-45	176	-175.9	78.5	0	0	0	112	E580 N581 L582 N587 K588	E580-H584 WeakPolarHBondContact O-CB 3.38Å; E580-H584 PolarHBondContact O-N 3.42Å; N581-H584 PolarHBondContact O-N 3.26Å; L582-H584 VanDerWaalsContact C-N 3.32Å; L582-H584 PolarHBondContact O-N 3.45Å; H584-N587 PolarHBondContact O-N 2.97Å; H584-K588 WeakPolarHBondContact O-CB 3.41Å; H584-K588 PolarHBondContact O-N 2.99Å
585	R	95.3	Very high	91.7	Very high	128 Å²	128	64.3 Å²	64.3	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-45.6	174.3	-74.1	-170.3	-51.6	-127.6	-1.7	111.8	N581 L582 N587 K588 E589	N581-R585 WeakPolarHBondContact O-CG 3.24Å; N581-R585 PolarHBondContact O-N 3.36Å; L582-R585 PolarHBondContact O-N 2.84Å; R585-N587 VanDerWaalsContact C-N 3.34Å; R585-N587 PolarHBondContact O-N 2.84Å; R585-K588 PolarHBondContact O-N 2.81Å; R585-E589 WeakPolarHBondContact O-CG 3.38Å; R585-E589 PolarHBondContact O-N 2.97Å
586	I	97.1	Very high	91.4	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-48.6	175.9	-67.6	165.9	0	0	0	110.6	L539 A542 I543 I567 L582 V583 K588 E589 F590 L603	L539-I586 HydrophobicContact CD1-CD1 4.33Å; L539-I586 HydrophobicContact CD1-CG1 4.24Å; L539-I586 HydrophobicContact CD1-CG2 4.18Å; A542-I586 HydrophobicContact CB-CB 4.35Å; A542-I586 HydrophobicContact CB-CG1 3.88Å; I543-I586 HydrophobicContact CG2-CD1 3.79Å; I543-I586 HydrophobicContact CG2-CG1 3.81Å; I567-I586 HydrophobicContact CD1-CD1 4.27Å; I567-I586 HydrophobicContact CG1-CD1 4.47Å; L582-I586 HydrophobicContact CD1-CD1 4.16Å; L582-I586 HydrophobicContact CD1-CG1 4.46Å; L582-I586 HydrophobicContact CG-CD1 4.03Å; L582-I586 VanDerWaalsContact O-CG1 3.31Å; L582-I586 WeakPolarHBondContact O-CG1 3.36Å; L582-I586 PolarHBondContact O-N 3.43Å; V583-I586 PolarHBondContact O-N 3.17Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.39Å; I586-E589 PolarHBondContact O-N 3.45Å; I586-F590 HydrophobicContact CG2-CD2 3.6Å; I586-F590 HydrophobicContact CG2-CE2 3.28Å; I586-F590 HydrophobicContact CG2-CG 4.39Å; I586-F590 HydrophobicContact CG2-CZ 3.86Å; I586-F590 WeakPolarHBondContact O-CB 3.24Å; I586-F590 WeakPolarHBondContact O-CG 3.34Å; I586-F590 PolarHBondContact O-N 2.98Å; I586-L603 HydrophobicContact CB-CD1 4.48Å; I586-L603 HydrophobicContact CD1-CD1 4.41Å; I586-L603 HydrophobicContact CG2-CD1 3.97Å; I586-L603 HydrophobicContact CG2-CD2 3.97Å
587	N	96.3	Very high	90.9	Very high	18 Å²	18	65.5 Å²	65.5	10%	0.096	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-40.5	179.6	-163.5	27.6	0	0	0	112.7	V583 H584 R585 T591 R599 K645 Y647	V583-N587 WeakPolarHBondContact O-CB 3.49Å; V583-N587 PolarHBondContact O-N 2.86Å; H584-N587 PolarHBondContact O-N 2.97Å; R585-N587 VanDerWaalsContact C-N 3.34Å; R585-N587 PolarHBondContact O-N 2.84Å; N587-T591 VanDerWaalsContact O-CB 3.29Å; N587-T591 WeakPolarHBondContact O-CB 3.4Å; N587-T591 PolarHBondContact O-N 3.49Å; N587-T591 PolarHBondContact O-OG1 3.34Å; N587-R599 PolarHBondContact OD1-NH2 3.2Å; N587-K645 PolarHBondContact ND2-O 3.17Å; N587-Y647 HydrophobicContact CB-CD2 3.72Å; N587-Y647 HydrophobicContact CB-CE2 3.76Å; N587-Y647 WeakPolarHBondContact OD1-CE2 3.47Å
588	K	94.1	Very high	90.6	Very high	104 Å²	104	61.4 Å²	61.4	45%	0.452	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-53.6	177.9	-175.9	-175.2	173.9	-171.3	0	110.7	H584 R585 I586 F590 T591 E592	H584-K588 WeakPolarHBondContact O-CB 3.41Å; H584-K588 PolarHBondContact O-N 2.99Å; R585-K588 PolarHBondContact O-N 2.81Å; I586-K588 VanDerWaalsContact C-N 3.32Å; I586-K588 PolarHBondContact O-N 3.39Å; K588-F590 VanDerWaalsContact C-N 3.34Å; K588-F590 PolarHBondContact O-N 2.82Å; K588-T591 PolarHBondContact O-N 3.48Å; K588-E592 WeakPolarHBondContact CE-OE1 3.39Å; K588-E592 IonicContact NZ-OE1 3.61Å; K588-E592 WeakPolarHBondContact O-CG 3.38Å; K588-E592 PolarHBondContact O-N 2.65Å
589	E	92.9	Very high	90.5	Very high	44 Å²	44	58.1 Å²	58.1	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-42.8	-179.8	-69	-60.6	154.3	0	0	111.9	V538 A542 R585 I586 T591 E592 H593	V538-E589 HydrophobicContact CG1-CB 3.96Å; V538-E589 WeakPolarHBondContact CG1-O 3.33Å; A542-E589 HydrophobicContact CB-CB 3.87Å; A542-E589 HydrophobicContact CB-CG 3.64Å; R585-E589 WeakPolarHBondContact O-CG 3.38Å; R585-E589 PolarHBondContact O-N 2.97Å; I586-E589 PolarHBondContact O-N 3.45Å; E589-T591 VanDerWaalsContact C-N 3.33Å; E589-T591 PolarHBondContact O-N 3.42Å; E589-E592 PolarHBondContact O-N 2.82Å; E589-H593 WeakPolarHBondContact O-CB 3.44Å; E589-H593 PolarHBondContact O-N 3.26Å; E589-H593 PolarHBondContact O-ND1 2.82Å; E589-H593 IonicContact OE2-CE1 3.9Å; E589-H593 PolarHBondContact OE2-CE1 3.09Å; E589-H593 IonicContact OE2-ND1 3.95Å; E589-H593 PolarHBondContact OE2-ND1 2.83Å
590	F	93	Very high	90.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-35.9	174.3	-71.8	-18.9	0	0	0	113.3	V535 V538 L539 A565 I586 K588 L594 R599 P600 L603	V535-F590 HydrophobicContact CG1-CE1 4.03Å; V535-F590 HydrophobicContact CG1-CZ 4.16Å; V538-F590 HydrophobicContact CB-CD1 4.21Å; V538-F590 HydrophobicContact CB-CE1 4.32Å; V538-F590 HydrophobicContact CG1-CD1 3.71Å; V538-F590 HydrophobicContact CG1-CE1 4.23Å; L539-F590 HydrophobicContact CB-CE1 3.9Å; L539-F590 HydrophobicContact CB-CZ 3.95Å; L539-F590 HydrophobicContact CD1-CE1 4.44Å; L539-F590 HydrophobicContact CD1-CZ 3.82Å; L539-F590 HydrophobicContact CG-CZ 4.4Å; A565-F590 HydrophobicContact CB-CZ 4.48Å; I586-F590 HydrophobicContact CG2-CD2 3.6Å; I586-F590 HydrophobicContact CG2-CE2 3.28Å; I586-F590 HydrophobicContact CG2-CG 4.39Å; I586-F590 HydrophobicContact CG2-CZ 3.86Å; I586-F590 WeakPolarHBondContact O-CB 3.24Å; I586-F590 WeakPolarHBondContact O-CG 3.34Å; I586-F590 PolarHBondContact O-N 2.98Å; K588-F590 VanDerWaalsContact C-N 3.34Å; K588-F590 PolarHBondContact O-N 2.82Å; F590-L594 HydrophobicContact CB-CD1 4.29Å; F590-L594 HydrophobicContact CD1-CD1 3.42Å; F590-L594 VanDerWaalsContact CD1-CD1 3.42Å; F590-L594 HydrophobicContact CD1-CG 4.39Å; F590-L594 HydrophobicContact CE1-CD1 3.92Å; F590-L594 HydrophobicContact CG-CD1 4.04Å; F590-L594 WeakPolarHBondContact O-CB 3.48Å; F590-L594 PolarHBondContact O-N 3.01Å; F590-L594 VanDerWaalsContact O-N 3.09Å; F590-R599 HydrophobicContact CB-CG 4.37Å; F590-P600 HydrophobicContact CD2-CG 4.36Å; F590-P600 HydrophobicContact CE2-CB 4.17Å; F590-P600 HydrophobicContact CE2-CG 3.64Å; F590-P600 HydrophobicContact CZ-CG 3.79Å; F590-L603 HydrophobicContact CE2-CD2 3.97Å
591	T	89.8	Confident	90.7	Very high	74 Å²	74	52.1 Å²	52.1	45%	0.454	26%	0.256	S	S	.	.	H	α-helix	trans	-73.1	-35.4	179.2	-59.8	0	0	0	0	111.9	N587 K588 E589 R599	N587-T591 VanDerWaalsContact O-CB 3.29Å; N587-T591 WeakPolarHBondContact O-CB 3.4Å; N587-T591 PolarHBondContact O-N 3.49Å; N587-T591 PolarHBondContact O-OG1 3.34Å; K588-T591 PolarHBondContact O-N 3.48Å; E589-T591 VanDerWaalsContact C-N 3.33Å; E589-T591 PolarHBondContact O-N 3.42Å; T591-R599 VanDerWaalsContact OG1-CZ 3.3Å; T591-R599 PolarHBondContact OG1-NH1 3.18Å; T591-R599 PolarHBondContact OG1-NH2 3.43Å
592	E	87.9	Confident	90.8	Very high	117 Å²	117	48 Å²	48	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-80.8	-30.5	-178.4	-70.7	177	179	0	0	112.8	K588 E589	K588-E592 WeakPolarHBondContact CE-OE1 3.39Å; K588-E592 IonicContact NZ-OE1 3.61Å; K588-E592 WeakPolarHBondContact O-CG 3.38Å; K588-E592 PolarHBondContact O-N 2.65Å; E589-E592 PolarHBondContact O-N 2.82Å
593	H	82.9	Confident	90.9	Very high	101 Å²	101	47.8 Å²	47.8	47%	0.468	23%	0.232	S	C	.	.	H	α-helix	trans	-119.6	-9.6	-169	-58.3	105.9	0	0	0	115.8	V538 E589	V538-H593 HydrophobicContact CG1-CB 3.86Å; V538-H593 HydrophobicContact CG2-CB 3.89Å; E589-H593 WeakPolarHBondContact O-CB 3.44Å; E589-H593 PolarHBondContact O-N 3.26Å; E589-H593 PolarHBondContact O-ND1 2.82Å; E589-H593 IonicContact OE2-CE1 3.9Å; E589-H593 PolarHBondContact OE2-CE1 3.09Å; E589-H593 IonicContact OE2-ND1 3.95Å; E589-H593 PolarHBondContact OE2-ND1 2.83Å
594	L	84.4	Confident	90.8	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	23%	0.229	C	C	.	.	S	Bend	trans	-119.9	142.6	178.3	-62.1	174.7	0	0	0	112.3	E534 V535 V538 F590 A598 R599	E534-L594 HydrophobicContact CG-CD2 4.18Å; V535-L594 HydrophobicContact CB-CD1 4.3Å; V535-L594 HydrophobicContact CG1-CD1 3.84Å; V535-L594 HydrophobicContact CG2-CD1 4.14Å; V535-L594 HydrophobicContact CG2-CD2 4.44Å; V538-L594 HydrophobicContact CB-CD1 4.29Å; V538-L594 HydrophobicContact CB-CD2 4.36Å; V538-L594 HydrophobicContact CB-CG 4.2Å; V538-L594 HydrophobicContact CG1-CD1 4.45Å; V538-L594 HydrophobicContact CG1-CG 4.28Å; V538-L594 HydrophobicContact CG2-CD1 4.5Å; V538-L594 HydrophobicContact CG2-CD2 3.7Å; V538-L594 HydrophobicContact CG2-CG 3.94Å; F590-L594 HydrophobicContact CB-CD1 4.29Å; F590-L594 HydrophobicContact CD1-CD1 3.42Å; F590-L594 VanDerWaalsContact CD1-CD1 3.42Å; F590-L594 HydrophobicContact CD1-CG 4.39Å; F590-L594 HydrophobicContact CE1-CD1 3.92Å; F590-L594 HydrophobicContact CG-CD1 4.04Å; F590-L594 WeakPolarHBondContact O-CB 3.48Å; F590-L594 PolarHBondContact O-N 3.01Å; F590-L594 VanDerWaalsContact O-N 3.09Å; L594-A598 HydrophobicContact CB-CB 4.49Å; L594-R599 HydrophobicContact CB-CG 4.18Å
595	P	78.1	Confident	90.7	Very high	41 Å²	41	41.5 Å²	41.5	27%	0.266	20%	0.203	S	C	.	.			trans	-67	154.5	170.4	29.7	-34.4	0	0	0	110.9	Y597 A598 R599	P595-Y597 VanDerWaalsContact C-N 3.3Å; P595-Y597 HydrophobicContact CB-CD1 3.92Å; P595-Y597 HydrophobicContact CB-CE1 3.48Å; P595-Y597 VanDerWaalsContact CB-CE1 3.48Å; P595-Y597 HydrophobicContact CG-CD1 4.16Å; P595-Y597 HydrophobicContact CG-CE1 3.5Å; P595-Y597 HydrophobicContact CG-CE2 4.08Å; P595-Y597 VanDerWaalsContact CG-CZ 3.45Å; P595-Y597 PolarHBondContact O-N 3.05Å; P595-Y597 VanDerWaalsContact O-N 3.13Å; P595-A598 HydrophobicContact CG-CB 3.83Å; P595-A598 PolarHBondContact O-N 2.93Å; P595-R599 PolarHBondContact O-N 3.49Å
596	P	84.2	Confident	90.5	Very high	113 Å²	113	35.4 Å²	35.4	73%	0.734	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-51.9	-40.3	-173.7	-30.6	36.1	0	0	0	115.5	A598 R599	P596-A598 VanDerWaalsContact C-N 3.3Å; P596-A598 PolarHBondContact O-N 2.94Å; P596-R599 PolarHBondContact O-N 2.97Å
597	Y	79.3	Confident	89.8	Confident	84 Å²	84	37.9 Å²	37.9	33%	0.329	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-70.2	-23.2	-179	66.5	-98.6	0	0	0	113.7	E528 V530 P595	E528-Y597 HydrophobicContact CB-CD1 4.3Å; E528-Y597 HydrophobicContact CB-CD2 3.37Å; E528-Y597 HydrophobicContact CB-CE2 3.83Å; E528-Y597 HydrophobicContact CB-CG 3.65Å; E528-Y597 HydrophobicContact CG-CD1 3.95Å; E528-Y597 HydrophobicContact CG-CD2 3.97Å; E528-Y597 HydrophobicContact CG-CE1 4.38Å; E528-Y597 HydrophobicContact CG-CE2 4.4Å; E528-Y597 HydrophobicContact CG-CG 3.74Å; V530-Y597 HydrophobicContact CG2-CD2 3.89Å; V530-Y597 HydrophobicContact CG2-CE2 4.28Å; P595-Y597 VanDerWaalsContact C-N 3.3Å; P595-Y597 HydrophobicContact CB-CD1 3.92Å; P595-Y597 HydrophobicContact CB-CE1 3.48Å; P595-Y597 VanDerWaalsContact CB-CE1 3.48Å; P595-Y597 HydrophobicContact CG-CD1 4.16Å; P595-Y597 HydrophobicContact CG-CE1 3.5Å; P595-Y597 HydrophobicContact CG-CE2 4.08Å; P595-Y597 VanDerWaalsContact CG-CZ 3.45Å; P595-Y597 PolarHBondContact O-N 3.05Å; P595-Y597 VanDerWaalsContact O-N 3.13Å
598	A	84.8	Confident	88.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-90.7	-13.1	-178.5	0	0	0	0	0	112.9	V530 V535 L594 P595 P596 P600	V530-A598 HydrophobicContact CG1-CB 3.87Å; V530-A598 HydrophobicContact CG2-CB 4.23Å; V535-A598 HydrophobicContact CG2-CB 4.45Å; V535-A598 WeakPolarHBondContact CG2-O 3.16Å; L594-A598 HydrophobicContact CB-CB 4.49Å; P595-A598 HydrophobicContact CG-CB 3.83Å; P595-A598 PolarHBondContact O-N 2.93Å; P596-A598 VanDerWaalsContact C-N 3.3Å; P596-A598 PolarHBondContact O-N 2.94Å; A598-P600 WeakPolarHBondContact O-CD 3.22Å
599	R	92.3	Very high	87.5	Confident	22 Å²	22	39.1 Å²	39.1	8%	0.083	20%	0.203	C	C	.	.	S	Bend	trans	-66.4	127.1	179	-68.9	175.2	53.6	161.1	4.1	110	N587 F590 T591 L594 P595 P596 I601 L640	N587-R599 PolarHBondContact OD1-NH2 3.2Å; F590-R599 HydrophobicContact CB-CG 4.37Å; T591-R599 VanDerWaalsContact OG1-CZ 3.3Å; T591-R599 PolarHBondContact OG1-NH1 3.18Å; T591-R599 PolarHBondContact OG1-NH2 3.43Å; L594-R599 HydrophobicContact CB-CG 4.18Å; P595-R599 PolarHBondContact O-N 3.49Å; P596-R599 PolarHBondContact O-N 2.97Å; R599-I601 PolarHBondContact O-N 3.11Å; R599-L640 VanDerWaalsContact NH2-CD2 3.34Å
600	P	95	Very high	86.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.			trans	-56	123	170	-28.6	37.7	0	0	0	111.4	V535 G563 A565 F590 A598 L603 Y647	V535-P600 HydrophobicContact CG1-CG 3.5Å; V535-P600 VanDerWaalsContact CG1-CG 3.5Å; G563-P600 CarbonylContact O-C 3.48Å; G563-P600 VanDerWaalsContact O-CA 3.23Å; G563-P600 WeakPolarHBondContact O-CA 3.32Å; A565-P600 HydrophobicContact CB-CB 4.18Å; A565-P600 HydrophobicContact CB-CG 4.12Å; F590-P600 HydrophobicContact CD2-CG 4.36Å; F590-P600 HydrophobicContact CE2-CB 4.17Å; F590-P600 HydrophobicContact CE2-CG 3.64Å; F590-P600 HydrophobicContact CZ-CG 3.79Å; A598-P600 WeakPolarHBondContact O-CD 3.22Å; P600-L603 HydrophobicContact CB-CD2 4.39Å; P600-Y647 PolarHBondContact O-OH 2.81Å
601	I	94.7	Very high	84.8	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.067	22%	0.219	C	C	.	.	S	Bend	trans	-72.2	-29.4	172.1	-63.7	-176.7	0	0	0	109.6	W525 A562 G563 R599 F639 L640 L665	W525-I601 VanDerWaalsContact CE2-CD1 3.47Å; W525-I601 HydrophobicContact CH2-CD1 4.25Å; W525-I601 HydrophobicContact CZ2-CD1 3.27Å; A562-I601 HydrophobicContact CB-CB 4.28Å; A562-I601 HydrophobicContact CB-CD1 3.92Å; A562-I601 HydrophobicContact CB-CG1 4.36Å; G563-I601 PolarHBondContact O-N 3.01Å; R599-I601 PolarHBondContact O-N 3.11Å; I601-F639 HydrophobicContact CG2-CD2 3.54Å; I601-F639 HydrophobicContact CG2-CE2 3.45Å; I601-F639 VanDerWaalsContact CG2-CE2 3.45Å; I601-F639 CarbonylContact O-C 3.53Å; I601-F639 WeakPolarHBondContact O-CA 3.38Å; I601-L640 PolarHBondContact O-N 3.27Å; I601-L665 HydrophobicContact CD1-CD2 4.34Å; I601-L665 HydrophobicContact CG2-CD2 4.49Å
602	F	96.9	Very high	83.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.9	-179.9	-56.3	-78.1	0	0	0	112.7	V553 I555 A562 G563 M564 A565 F627 Y638 F639 I658	V553-F602 HydrophobicContact CG2-CD2 3.58Å; V553-F602 HydrophobicContact CG2-CE2 3.86Å; I555-F602 HydrophobicContact CD1-CE2 3.57Å; I555-F602 HydrophobicContact CD1-CZ 3.73Å; I555-F602 HydrophobicContact CG1-CE2 3.83Å; I555-F602 HydrophobicContact CG1-CZ 4.08Å; A562-F602 HydrophobicContact CB-CD2 4.41Å; A562-F602 HydrophobicContact CB-CE2 4.09Å; G563-F602 PolarHBondContact O-N 3.19Å; M564-F602 CarbonylContact C-O 3.51Å; M564-F602 VanDerWaalsContact CA-O 3.3Å; M564-F602 WeakPolarHBondContact CA-O 3.44Å; M564-F602 HydrophobicContact CB-CB 4.08Å; M564-F602 HydrophobicContact CE-CB 4.43Å; M564-F602 HydrophobicContact CG-CB 3.82Å; M564-F602 HydrophobicContact SD-CB 4.13Å; A565-F602 PolarHBondContact N-O 2.96Å; F602-F627 HydrophobicContact CB-CB 4.43Å; F602-F627 HydrophobicContact CD1-CB 3.49Å; F602-F627 VanDerWaalsContact CD1-CB 3.49Å; F602-F627 HydrophobicContact CD1-CD2 4.44Å; F602-F627 AromaticContact CD1-CG 3.99Å; F602-F627 HydrophobicContact CD1-CG 3.99Å; F602-F627 HydrophobicContact CD2-CB 4.16Å; F602-F627 HydrophobicContact CD2-CD1 4.3Å; F602-F627 HydrophobicContact CD2-CG 4.39Å; F602-F627 HydrophobicContact CE1-CB 3.6Å; F602-F627 HydrophobicContact CE1-CD1 4.16Å; F602-F627 AromaticContact CE1-CD2 3.69Å; F602-F627 HydrophobicContact CE1-CD2 3.69Å; F602-F627 HydrophobicContact CE1-CE2 4.42Å; F602-F627 AromaticContact CE1-CG 3.55Å; F602-F627 HydrophobicContact CE1-CG 3.55Å; F602-F627 HydrophobicContact CE2-CB 4.26Å; F602-F627 AromaticContact CE2-CD1 3.76Å; F602-F627 HydrophobicContact CE2-CD1 3.76Å; F602-F627 HydrophobicContact CE2-CE1 4.29Å; F602-F627 AromaticContact CE2-CG 3.99Å; F602-F627 HydrophobicContact CE2-CG 3.99Å; F602-F627 HydrophobicContact CG-CB 3.77Å; F602-F627 HydrophobicContact CG-CG 4.37Å; F602-F627 HydrophobicContact CZ-CB 4Å; F602-F627 AromaticContact CZ-CD1 3.68Å; F602-F627 HydrophobicContact CZ-CD1 3.68Å; F602-F627 AromaticContact CZ-CD2 3.84Å; F602-F627 HydrophobicContact CZ-CD2 3.84Å; F602-F627 HydrophobicContact CZ-CE1 4.09Å; F602-F627 HydrophobicContact CZ-CE2 4.23Å; F602-F627 AromaticContact CZ-CG 3.56Å; F602-F627 HydrophobicContact CZ-CG 3.56Å; F602-F627 HydrophobicContact CZ-CZ 4.35Å; F602-Y638 CarbonylContact C-O 3.52Å; F602-Y638 WeakPolarHBondContact CA-O 3.21Å; F602-F639 HydrophobicContact CD1-CB 4.34Å; F602-F639 HydrophobicContact CD1-CD2 4.11Å; F602-F639 HydrophobicContact CE1-CB 4.33Å; F602-F639 AromaticContact CE1-CD2 3.56Å; F602-F639 HydrophobicContact CE1-CD2 3.56Å; F602-F639 HydrophobicContact CE1-CE2 4.35Å; F602-F639 HydrophobicContact CE1-CG 4.39Å; F602-F639 HydrophobicContact CZ-CD2 4.09Å; F602-F639 HydrophobicContact CZ-CE2 4.47Å; F602-I658 HydrophobicContact CE1-CD1 4.13Å; F602-I658 HydrophobicContact CZ-CG2 4.15Å
603	L	96.9	Very high	81.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.3	161.1	-44.1	173.8	0	0	0	108.6	A565 I567 V583 I586 F590 P600 V637 Y638 Y647	A565-L603 HydrophobicContact CB-CD2 3.83Å; A565-L603 CarbonylContact O-C 3.55Å; A565-L603 VanDerWaalsContact O-CA 3.24Å; A565-L603 WeakPolarHBondContact O-CA 3.39Å; I567-L603 HydrophobicContact CD1-CB 4.45Å; V583-L603 HydrophobicContact CG1-CD1 4.1Å; V583-L603 HydrophobicContact CG2-CD1 4.48Å; I586-L603 HydrophobicContact CB-CD1 4.48Å; I586-L603 HydrophobicContact CD1-CD1 4.41Å; I586-L603 HydrophobicContact CG2-CD1 3.97Å; I586-L603 HydrophobicContact CG2-CD2 3.97Å; F590-L603 HydrophobicContact CE2-CD2 3.97Å; P600-L603 HydrophobicContact CB-CD2 4.39Å; L603-V637 CarbonylContact O-C 3.52Å; L603-V637 WeakPolarHBondContact O-CA 3.41Å; L603-Y638 PolarHBondContact N-O 2.97Å; L603-Y638 PolarHBondContact O-N 3.28Å; L603-Y647 HydrophobicContact CD1-CD1 3.9Å; L603-Y647 HydrophobicContact CD1-CD2 3.85Å; L603-Y647 HydrophobicContact CD1-CE1 3.91Å; L603-Y647 HydrophobicContact CD1-CE2 3.87Å; L603-Y647 HydrophobicContact CD1-CG 3.88Å; L603-Y647 HydrophobicContact CD2-CE1 3.99Å; L603-Y647 HydrophobicContact CD2-CE2 4.49Å; L603-Y647 HydrophobicContact CG-CD1 3.84Å; L603-Y647 HydrophobicContact CG-CE1 3.54Å; L603-Y647 HydrophobicContact CG-CE2 4.3Å; L603-Y647 HydrophobicContact CG-CG 4.34Å
604	R	94.8	Very high	80.5	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.2	165.8	-179.4	-174.9	-73.7	-87.3	1.4	109.2	M564 A565 A566 I567 L625 G626 D628 D635 H636 V637	M564-R604 HydrophobicContact CE-CB 3.28Å; M564-R604 HydrophobicContact CE-CG 4.22Å; A565-R604 PolarHBondContact O-N 3.29Å; A566-R604 CarbonylContact C-O 3.56Å; A566-R604 WeakPolarHBondContact CA-O 3.33Å; I567-R604 PolarHBondContact N-O 3.49Å; R604-L625 PolarHBondContact NH2-O 3.44Å; R604-G626 PolarHBondContact NE-O 2.82Å; R604-G626 PolarHBondContact NH2-O 3.4Å; R604-D628 PolarHBondContact NH2-O 3.41Å; R604-D635 HydrophobicContact CG-CB 4.11Å; R604-D635 IonicContact NH1-OD2 3.86Å; R604-H636 CarbonylContact C-O 3.58Å; R604-H636 WeakPolarHBondContact CA-O 3.31Å; R604-V637 HydrophobicContact CB-CG2 4.43Å; R604-V637 HydrophobicContact CG-CG2 4.15Å; R604-V637 VanDerWaalsContact CZ-CG2 3.41Å
605	L	93.9	Very high	79.4	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	108.2	171.8	-57	-172.6	0	0	0	107.8	I567 L569 E579 L582 V583 D635 H636 Y638	I567-L605 HydrophobicContact CB-CD2 3.86Å; I567-L605 HydrophobicContact CD1-CD2 3.91Å; I567-L605 HydrophobicContact CG1-CD2 4.26Å; I567-L605 HydrophobicContact CG2-CD2 4.45Å; L569-L605 HydrophobicContact CD1-CB 4.17Å; L569-L605 HydrophobicContact CG-CB 4.48Å; E579-L605 HydrophobicContact CG-CD1 3.44Å; E579-L605 VanDerWaalsContact CG-CD1 3.44Å; E579-L605 WeakPolarHBondContact OE1-CD1 3.22Å; L582-L605 HydrophobicContact CD2-CD2 4.31Å; V583-L605 HydrophobicContact CG2-CD1 4.28Å; L605-D635 VanDerWaalsContact O-CA 3.24Å; L605-D635 WeakPolarHBondContact O-CA 3.31Å; L605-D635 WeakPolarHBondContact O-CB 3.43Å; L605-H636 PolarHBondContact N-O 2.91Å; L605-H636 PolarHBondContact O-N 3.38Å; L605-Y638 HydrophobicContact CD1-CE2 4.02Å; L605-Y638 HydrophobicContact CG-CE2 4.33Å
606	C	90.6	Very high	78.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.1	-174.5	-62	0	0	0	0	110.5	I567 L569 N608 L609 D635	I567-C606 PolarHBondContact O-N 3.25Å; L569-C606 PolarHBondContact N-O 3.14Å; C606-N608 VanDerWaalsContact C-N 3.34Å; C606-L609 HydrophobicContact CB-CD1 3.94Å; C606-L609 HydrophobicContact CB-CD2 3.99Å; C606-L609 HydrophobicContact CB-CG 3.55Å; C606-D635 WeakPolarHBondContact CA-OD1 3.27Å; C606-D635 PolarHBondContact SG-OD2 3.49Å
607	Q	83.5	Confident	78.1	Confident	51 Å²	51	31.5 Å²	31.5	24%	0.238	16%	0.159	C	C	.	.	S	Bend	trans	-65.2	-42	175.1	-72.5	-66.8	-25.1	0	0	111.5	G571 G634 D635	G571-Q607 PolarHBondContact N-O 2.78Å; Q607-G634 WeakPolarHBondContact CG-O 3.42Å; Q607-D635 PolarHBondContact N-OD1 2.89Å
608	N	71.4	Confident	77.5	Confident	119 Å²	119	32.1 Å²	32.1	64%	0.636	16%	0.161	S	C	*	.	S	Bend	trans	-136.7	127	176.7	-70	-51.2	0	0	0	110	C606	C606-N608 VanDerWaalsContact C-N 3.34Å
609	L	69.5	Low	77	Confident	30 Å²	30	34.2 Å²	34.2	16%	0.157	17%	0.17	C	C	.	.			trans	-109.8	135.8	170.9	-83.6	171.8	0	0	0	111.1	A568 C606 M611 I617 I622	A568-L609 HydrophobicContact CB-CB 4.42Å; A568-L609 HydrophobicContact CB-CD1 3.86Å; A568-L609 HydrophobicContact CB-CG 4.45Å; C606-L609 HydrophobicContact CB-CD1 3.94Å; C606-L609 HydrophobicContact CB-CD2 3.99Å; C606-L609 HydrophobicContact CB-CG 3.55Å; L609-M611 PolarHBondContact O-N 3.05Å; L609-I617 HydrophobicContact CD1-CD1 3.76Å; L609-I617 HydrophobicContact CD1-CG1 4.08Å; L609-I617 HydrophobicContact CD1-CG2 4.15Å; L609-I617 HydrophobicContact CD2-CG2 4.36Å; L609-I622 HydrophobicContact CD2-CB 4.06Å; L609-I622 HydrophobicContact CD2-CD1 3.6Å; L609-I622 HydrophobicContact CD2-CG1 3.75Å
610	A	63.7	Low	75.9	Confident	37 Å²	37	37.8 Å²	37.8	31%	0.306	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-66.3	119	171.3	0	0	0	0	0	110	R618 E621	A610-R618 WeakPolarHBondContact O-CG 3.37Å; A610-R618 PolarHBondContact O-N 2.7Å; A610-R618 VanDerWaalsContact O-N 3.07Å; A610-E621 WeakPolarHBondContact CB-OE2 3.47Å
611	M	65.3	Low	74.8	Confident	49 Å²	49	42.2 Å²	42.2	24%	0.241	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-98.2	158.7	178	-63.6	-171	-177.7	0	0	112.4	Y353 L609 F615 K616 R618	Y353-M611 WeakPolarHBondContact OH-CE 3.49Å; Y353-M611 PolarHBondContact OH-SD 3.1Å; L609-M611 PolarHBondContact O-N 3.05Å; M611-F615 HydrophobicContact SD-CB 4.44Å; M611-K616 CarbonylContact C-O 3.59Å; M611-K616 VanDerWaalsContact CA-O 3.25Å; M611-K616 WeakPolarHBondContact CA-O 3.48Å; M611-R618 PolarHBondContact O-NE 2.98Å
612	T	60.6	Low	74.1	Confident	32 Å²	32	41.9 Å²	41.9	20%	0.196	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-77.4	170.3	167.1	69.8	0	0	0	0	110.6	T614 F615 K616 R618	T612-T614 PolarHBondContact O-N 2.91Å; T612-T614 PolarHBondContact OG1-N 2.92Å; T612-T614 PolarHBondContact OG1-OG1 2.94Å; T612-F615 WeakPolarHBondContact O-CA 3.44Å; T612-F615 PolarHBondContact O-N 2.72Å; T612-F615 PolarHBondContact OG1-N 3.32Å; T612-K616 HydrophobicContact CG2-CB 4.23Å; T612-K616 WeakPolarHBondContact CG2-O 3.32Å; T612-K616 PolarHBondContact N-O 2.93Å; T612-K616 PolarHBondContact OG1-N 3.04Å; T612-K616 PolarHBondContact OG1-O 2.94Å; T612-R618 HydrophobicContact CG2-CG 4.11Å
613	S	54.4	Low	73.4	Confident	6 Å²	6	44 Å²	44	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.1	170	52.8	0	0	0	0	114.7	N161 N163 Y302 H303 F615	N161-S613 PolarHBondContact ND2-OG 3.4Å; N163-S613 WeakPolarHBondContact ND2-CA 3.42Å; N163-S613 WeakPolarHBondContact ND2-CB 3.45Å; Y302-S613 WeakPolarHBondContact OH-CB 3.35Å; H303-S613 PolarHBondContact NE2-OG 3.29Å; S613-F615 VanDerWaalsContact C-N 3.34Å
614	T	56.4	Low	72.5	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.1	173.9	52	0	0	0	0	111.8	I347 T612 K616	I347-T614 HydrophobicContact CD1-CG2 4.19Å; I347-T614 VanDerWaalsContact CD1-O 3.31Å; I347-T614 WeakPolarHBondContact CD1-O 2.75Å; T612-T614 PolarHBondContact O-N 2.91Å; T612-T614 PolarHBondContact OG1-N 2.92Å; T612-T614 PolarHBondContact OG1-OG1 2.94Å; T614-K616 PolarHBondContact O-N 3.06Å
615	F	61.5	Low	72	Confident	50 Å²	50	50.3 Å²	50.3	22%	0.219	27%	0.269	C	S	.	.	S	Bend	trans	62.5	22.1	178	-49.6	-79.5	0	0	0	115.3	F327 I347 E349 Y353 M611 T612 S613	F327-F615 HydrophobicContact CB-CE2 4.14Å; F327-F615 HydrophobicContact CB-CZ 3.84Å; F327-F615 HydrophobicContact CD1-CE1 4.44Å; F327-F615 HydrophobicContact CD1-CE2 4.1Å; F327-F615 AromaticContact CD1-CZ 3.87Å; F327-F615 HydrophobicContact CD1-CZ 3.87Å; F327-F615 HydrophobicContact CG-CE2 4.3Å; F327-F615 HydrophobicContact CG-CZ 4.21Å; I347-F615 HydrophobicContact CD1-CD2 4.17Å; E349-F615 HydrophobicContact CB-CB 4.08Å; Y353-F615 HydrophobicContact CE2-CB 3.61Å; Y353-F615 HydrophobicContact CE2-CD1 4.01Å; Y353-F615 HydrophobicContact CE2-CD2 4.31Å; Y353-F615 AromaticContact CE2-CG 3.73Å; Y353-F615 HydrophobicContact CE2-CG 3.73Å; M611-F615 HydrophobicContact SD-CB 4.44Å; T612-F615 WeakPolarHBondContact O-CA 3.44Å; T612-F615 PolarHBondContact O-N 2.72Å; T612-F615 PolarHBondContact OG1-N 3.32Å; S613-F615 VanDerWaalsContact C-N 3.34Å
616	K	65.6	Low	71.6	Confident	107 Å²	107	51 Å²	51	47%	0.465	28%	0.276	S	S	.	.			trans	-86.1	150.5	171.3	-62.4	-168.6	173.7	-165.3	0	110.7	M611 T612 T614	M611-K616 CarbonylContact C-O 3.59Å; M611-K616 VanDerWaalsContact CA-O 3.25Å; M611-K616 WeakPolarHBondContact CA-O 3.48Å; T612-K616 HydrophobicContact CG2-CB 4.23Å; T612-K616 WeakPolarHBondContact CG2-O 3.32Å; T612-K616 PolarHBondContact N-O 2.93Å; T612-K616 PolarHBondContact OG1-N 3.04Å; T612-K616 PolarHBondContact OG1-O 2.94Å; T614-K616 PolarHBondContact O-N 3.06Å
617	I	68.6	Low	71.6	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.092	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-65.5	138	171.8	-63.9	164.4	0	0	0	109.9	T547 T549 L609 K619 I622	T547-I617 HydrophobicContact CG2-CD1 3.57Å; T547-I617 HydrophobicContact CG2-CG1 4.01Å; T549-I617 HydrophobicContact CG2-CB 4.13Å; T549-I617 HydrophobicContact CG2-CD1 3.79Å; T549-I617 HydrophobicContact CG2-CG2 3.74Å; L609-I617 HydrophobicContact CD1-CD1 3.76Å; L609-I617 HydrophobicContact CD1-CG1 4.08Å; L609-I617 HydrophobicContact CD1-CG2 4.15Å; L609-I617 HydrophobicContact CD2-CG2 4.36Å; I617-K619 PolarHBondContact O-N 2.59Å; I617-I622 HydrophobicContact CG2-CG2 4.05Å
618	R	67.6	Low	72	Confident	96 Å²	96	50.7 Å²	50.7	36%	0.362	28%	0.276	S	S	.	.			trans	-75.7	85.6	171.2	-67.4	179.7	-174.2	-172.9	-2.1	110.7	A610 M611 T612 T620 E621 I622	A610-R618 WeakPolarHBondContact O-CG 3.37Å; A610-R618 PolarHBondContact O-N 2.7Å; A610-R618 VanDerWaalsContact O-N 3.07Å; M611-R618 PolarHBondContact O-NE 2.98Å; T612-R618 HydrophobicContact CG2-CG 4.11Å; R618-T620 PolarHBondContact O-N 2.83Å; R618-T620 VanDerWaalsContact O-N 3.14Å; R618-E621 HydrophobicContact CB-CB 4.11Å; R618-E621 VanDerWaalsContact CD-OE2 3.23Å; R618-E621 WeakPolarHBondContact CD-OE2 3.37Å; R618-E621 IonicContact NH1-OE2 2.72Å; R618-E621 PolarHBondContact NH1-OE2 2.91Å; R618-E621 PolarHBondContact O-N 2.97Å; R618-E621 VanDerWaalsContact O-N 3.14Å; R618-I622 PolarHBondContact O-N 3.17Å
619	K	74	Confident	72.8	Confident	46 Å²	46	46 Å²	46	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-48.2	-41	-179.4	-78.5	-172.7	175	179.3	0	113.5	D521 T532 E536 T549 I617 I622 S623	D521-K619 IonicContact OD2-NZ 3.36Å; D521-K619 PolarHBondContact OD2-NZ 3.37Å; T532-K619 PolarHBondContact OG1-NZ 2.83Å; E536-K619 VanDerWaalsContact OE1-CE 3.28Å; E536-K619 WeakPolarHBondContact OE1-CE 3.17Å; E536-K619 IonicContact OE1-NZ 3.68Å; E536-K619 PolarHBondContact OE1-NZ 3.22Å; T549-K619 WeakPolarHBondContact OG1-CE 3.43Å; I617-K619 PolarHBondContact O-N 2.59Å; K619-I622 VanDerWaalsContact O-CG2 3.32Å; K619-I622 WeakPolarHBondContact O-CG2 3.23Å; K619-S623 WeakPolarHBondContact O-CB 3.29Å; K619-S623 PolarHBondContact O-N 2.79Å; K619-S623 PolarHBondContact O-OG 2.78Å
620	T	69.3	Low	73.6	Confident	96 Å²	96	48.2 Å²	48.2	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-61.9	-47.2	-179.7	43.9	0	0	0	0	113.2	R618 S623 S624	R618-T620 PolarHBondContact O-N 2.83Å; R618-T620 VanDerWaalsContact O-N 3.14Å; T620-S623 WeakPolarHBondContact CA-OG 3.3Å; T620-S623 PolarHBondContact O-N 3.17Å; T620-S623 PolarHBondContact O-OG 3.45Å; T620-S624 PolarHBondContact O-N 3.42Å; T620-S624 VanDerWaalsContact O-N 3.13Å
621	E	72.6	Confident	74.5	Confident	93 Å²	93	50.4 Å²	50.4	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-49.2	-179	-168.1	171.9	168.1	0	0	110.7	A610 R618 S623 S624	A610-E621 WeakPolarHBondContact CB-OE2 3.47Å; R618-E621 HydrophobicContact CB-CB 4.11Å; R618-E621 VanDerWaalsContact CD-OE2 3.23Å; R618-E621 WeakPolarHBondContact CD-OE2 3.37Å; R618-E621 IonicContact NH1-OE2 2.72Å; R618-E621 PolarHBondContact NH1-OE2 2.91Å; R618-E621 PolarHBondContact O-N 2.97Å; R618-E621 VanDerWaalsContact O-N 3.14Å; E621-S623 PolarHBondContact O-N 2.81Å; E621-S624 PolarHBondContact O-N 3.3Å; E621-S624 PolarHBondContact O-OG 3.25Å
622	I	79.8	Confident	75.3	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-36.3	178.3	-169.8	54	0	0	0	112.7	T549 F551 A566 L609 I617 R618 K619 S624 L625	T549-I622 HydrophobicContact CG2-CG2 4.31Å; F551-I622 HydrophobicContact CD1-CG2 4.14Å; F551-I622 HydrophobicContact CE1-CB 4.36Å; F551-I622 HydrophobicContact CE1-CG1 3.91Å; F551-I622 HydrophobicContact CE1-CG2 3.64Å; F551-I622 HydrophobicContact CZ-CG1 3.95Å; F551-I622 HydrophobicContact CZ-CG2 4.19Å; A566-I622 HydrophobicContact CB-CD1 4.34Å; A566-I622 HydrophobicContact CB-CG1 3.69Å; L609-I622 HydrophobicContact CD2-CB 4.06Å; L609-I622 HydrophobicContact CD2-CD1 3.6Å; L609-I622 HydrophobicContact CD2-CG1 3.75Å; I617-I622 HydrophobicContact CG2-CG2 4.05Å; R618-I622 PolarHBondContact O-N 3.17Å; K619-I622 VanDerWaalsContact O-CG2 3.32Å; K619-I622 WeakPolarHBondContact O-CG2 3.23Å; I622-S624 PolarHBondContact O-N 3.45Å; I622-L625 HydrophobicContact CD1-CD1 3.69Å; I622-L625 HydrophobicContact CD1-CG 4.34Å; I622-L625 WeakPolarHBondContact O-CB 3.25Å; I622-L625 PolarHBondContact O-N 3.42Å
623	S	80.9	Confident	75.9	Confident	46 Å²	46	55.7 Å²	55.7	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-29.5	176.4	71.4	0	0	0	0	113.1	F551 K619 T620 E621 L625 G626	F551-S623 VanDerWaalsContact CE2-CA 3.47Å; K619-S623 WeakPolarHBondContact O-CB 3.29Å; K619-S623 PolarHBondContact O-N 2.79Å; K619-S623 PolarHBondContact O-OG 2.78Å; T620-S623 WeakPolarHBondContact CA-OG 3.3Å; T620-S623 PolarHBondContact O-N 3.17Å; T620-S623 PolarHBondContact O-OG 3.45Å; E621-S623 PolarHBondContact O-N 2.81Å; S623-L625 VanDerWaalsContact C-N 3.27Å; S623-L625 PolarHBondContact O-N 3.46Å; S623-G626 PolarHBondContact O-N 3.13Å
624	S	78.1	Confident	77.2	Confident	91 Å²	91	57.1 Å²	57.1	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-71.3	-21.2	177.6	73.9	0	0	0	0	113.4	T620 E621 I622 G626	T620-S624 PolarHBondContact O-N 3.42Å; T620-S624 VanDerWaalsContact O-N 3.13Å; E621-S624 PolarHBondContact O-N 3.3Å; E621-S624 PolarHBondContact O-OG 3.25Å; I622-S624 PolarHBondContact O-N 3.45Å; S624-G626 PolarHBondContact O-N 2.98Å
625	L	84.6	Confident	78.8	Confident	40 Å²	40	55.6 Å²	55.6	21%	0.209	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.8	174.6	-50.5	-172.5	0	0	0	112.1	R604 I622 S623 I631	R604-L625 PolarHBondContact NH2-O 3.44Å; I622-L625 HydrophobicContact CD1-CD1 3.69Å; I622-L625 HydrophobicContact CD1-CG 4.34Å; I622-L625 WeakPolarHBondContact O-CB 3.25Å; I622-L625 PolarHBondContact O-N 3.42Å; S623-L625 VanDerWaalsContact C-N 3.27Å; S623-L625 PolarHBondContact O-N 3.46Å; L625-I631 HydrophobicContact CD2-CG2 3.7Å; L625-I631 WeakPolarHBondContact O-CD1 3.49Å
626	G	86.5	Confident	80.2	Confident	16 Å²	16	56.9 Å²	56.9	17%	0.165	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	-145.7	-176	0	0	0	0	0	112.6	M564 R604 S623 S624	M564-G626 VanDerWaalsContact CE-O 3.25Å; M564-G626 WeakPolarHBondContact CE-O 3.25Å; R604-G626 PolarHBondContact NE-O 2.82Å; R604-G626 PolarHBondContact NH2-O 3.4Å; S623-G626 PolarHBondContact O-N 3.13Å; S624-G626 PolarHBondContact O-N 2.98Å
627	F	90.7	Very high	81.6	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.048	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	15.1	179.1	61.1	-90.2	0	0	0	113.6	V553 S554 I555 F602 P629 V637 F655 I658 N659	V553-F627 HydrophobicContact CG2-CD1 4.15Å; S554-F627 WeakPolarHBondContact O-CE1 3.22Å; I555-F627 HydrophobicContact CG1-CE1 4.04Å; I555-F627 HydrophobicContact CG1-CZ 4.45Å; I555-F627 HydrophobicContact CG2-CZ 4.48Å; F602-F627 HydrophobicContact CB-CB 4.43Å; F602-F627 HydrophobicContact CD1-CB 3.49Å; F602-F627 VanDerWaalsContact CD1-CB 3.49Å; F602-F627 HydrophobicContact CD1-CD2 4.44Å; F602-F627 AromaticContact CD1-CG 3.99Å; F602-F627 HydrophobicContact CD1-CG 3.99Å; F602-F627 HydrophobicContact CD2-CB 4.16Å; F602-F627 HydrophobicContact CD2-CD1 4.3Å; F602-F627 HydrophobicContact CD2-CG 4.39Å; F602-F627 HydrophobicContact CE1-CB 3.6Å; F602-F627 HydrophobicContact CE1-CD1 4.16Å; F602-F627 AromaticContact CE1-CD2 3.69Å; F602-F627 HydrophobicContact CE1-CD2 3.69Å; F602-F627 HydrophobicContact CE1-CE2 4.42Å; F602-F627 AromaticContact CE1-CG 3.55Å; F602-F627 HydrophobicContact CE1-CG 3.55Å; F602-F627 HydrophobicContact CE2-CB 4.26Å; F602-F627 AromaticContact CE2-CD1 3.76Å; F602-F627 HydrophobicContact CE2-CD1 3.76Å; F602-F627 HydrophobicContact CE2-CE1 4.29Å; F602-F627 AromaticContact CE2-CG 3.99Å; F602-F627 HydrophobicContact CE2-CG 3.99Å; F602-F627 HydrophobicContact CG-CB 3.77Å; F602-F627 HydrophobicContact CG-CG 4.37Å; F602-F627 HydrophobicContact CZ-CB 4Å; F602-F627 AromaticContact CZ-CD1 3.68Å; F602-F627 HydrophobicContact CZ-CD1 3.68Å; F602-F627 AromaticContact CZ-CD2 3.84Å; F602-F627 HydrophobicContact CZ-CD2 3.84Å; F602-F627 HydrophobicContact CZ-CE1 4.09Å; F602-F627 HydrophobicContact CZ-CE2 4.23Å; F602-F627 AromaticContact CZ-CG 3.56Å; F602-F627 HydrophobicContact CZ-CG 3.56Å; F602-F627 HydrophobicContact CZ-CZ 4.35Å; F627-P629 WeakPolarHBondContact O-CD 3.34Å; F627-V637 HydrophobicContact CB-CG1 4.2Å; F627-F655 AromaticContact CD2-CD2 3.64Å; F627-F655 HydrophobicContact CD2-CD2 3.64Å; F627-F655 AromaticContact CD2-CE2 3.7Å; F627-F655 HydrophobicContact CD2-CE2 3.7Å; F627-F655 AromaticContact CE2-CD2 3.64Å; F627-F655 HydrophobicContact CE2-CD2 3.64Å; F627-F655 AromaticContact CE2-CE2 3.54Å; F627-F655 HydrophobicContact CE2-CE2 3.54Å; F627-F655 HydrophobicContact CZ-CE2 4.36Å; F627-I658 HydrophobicContact CD2-CG2 4.49Å; F627-I658 HydrophobicContact CE2-CB 4.39Å; F627-I658 HydrophobicContact CE2-CG2 3.74Å; F627-I658 HydrophobicContact CZ-CG2 4.05Å; F627-N659 WeakPolarHBondContact CZ-OD1 3.29Å
628	D	90.3	Very high	83	Confident	34 Å²	34	52 Å²	52	18%	0.182	30%	0.295	C	S	.	.			trans	-71.5	118.3	175	-175.1	-22.3	0	0	0	110.2	R604 T630 I631 F655	R604-D628 PolarHBondContact NH2-O 3.41Å; D628-T630 PolarHBondContact O-N 2.82Å; D628-T630 WeakPolarHBondContact OD1-CB 3.31Å; D628-T630 PolarHBondContact OD1-N 2.76Å; D628-T630 PolarHBondContact OD1-OG1 2.91Å; D628-T630 PolarHBondContact OD2-OG1 3.01Å; D628-I631 HydrophobicContact CB-CD1 3.71Å; D628-I631 HydrophobicContact CB-CG1 3.86Å; D628-F655 VanDerWaalsContact CA-CE2 3.46Å; D628-F655 HydrophobicContact CB-CD2 4.42Å; D628-F655 HydrophobicContact CB-CE2 3.68Å; D628-F655 HydrophobicContact CB-CZ 3.85Å
629	P	89.1	Confident	84.3	Confident	22 Å²	22	47.4 Å²	47.4	14%	0.143	28%	0.277	C	S	.	.	S	Bend	trans	-71.6	-16.4	-178.5	31.5	-36.8	0	0	0	113.4	F627 V637 V650 F655	F627-P629 WeakPolarHBondContact O-CD 3.34Å; P629-V637 HydrophobicContact CB-CG2 4.42Å; P629-V650 VanDerWaalsContact CB-O 3.27Å; P629-V650 WeakPolarHBondContact CB-O 3.34Å; P629-V650 HydrophobicContact CG-CG1 4.07Å; P629-F655 HydrophobicContact CG-CB 4.42Å
630	T	86.5	Confident	85.3	Confident	75 Å²	75	46 Å²	46	46%	0.46	27%	0.272	S	S	.	.	S	Bend	trans	-87.4	-21.9	-172.1	67.8	0	0	0	0	114.5	D628 H632	D628-T630 PolarHBondContact O-N 2.82Å; D628-T630 WeakPolarHBondContact OD1-CB 3.31Å; D628-T630 PolarHBondContact OD1-N 2.76Å; D628-T630 PolarHBondContact OD1-OG1 2.91Å; D628-T630 PolarHBondContact OD2-OG1 3.01Å; T630-H632 VanDerWaalsContact C-N 3.27Å; T630-H632 PolarHBondContact O-N 3.19Å
631	I	83	Confident	86.3	Confident	84 Å²	84	42.4 Å²	42.4	43%	0.431	25%	0.249	S	C	.	.	S	Bend	trans	-64.8	-32.7	-173.7	-59.9	179.5	0	0	0	111.9	L625 D628	L625-I631 HydrophobicContact CD2-CG2 3.7Å; L625-I631 WeakPolarHBondContact O-CD1 3.49Å; D628-I631 HydrophobicContact CB-CD1 3.71Å; D628-I631 HydrophobicContact CB-CG1 3.86Å
632	H	80.9	Confident	86.9	Confident	70 Å²	70	39.3 Å²	39.3	32%	0.324	24%	0.237	S	C	.	.	S	Bend	trans	-133.1	93.9	177.1	-158	-88.8	0	0	0	110.6	T630 G634 D635	T630-H632 VanDerWaalsContact C-N 3.27Å; T630-H632 PolarHBondContact O-N 3.19Å; H632-G634 PolarHBondContact O-N 2.73Å; H632-D635 HydrophobicContact CB-CB 4.29Å; H632-D635 IonicContact CE1-OD1 3.81Å; H632-D635 IonicContact CG-OD1 2.7Å; H632-D635 IonicContact CG-OD2 2.86Å; H632-D635 VanDerWaalsContact ND1-CG 3.28Å; H632-D635 IonicContact ND1-OD1 3.05Å; H632-D635 PolarHBondContact ND1-OD1 2.85Å; H632-D635 IonicContact ND1-OD2 3.53Å; H632-D635 PolarHBondContact O-N 3.36Å
633	P	74.7	Confident	87.2	Confident	122 Å²	122	47.9 Å²	47.9	79%	0.792	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.1	-171.5	-25	33.1	0	0	0	115.8
634	G	80.7	Confident	87.7	Confident	35 Å²	35	49.7 Å²	49.7	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.7	175	0	0	0	0	0	114.2	Q607 H632	Q607-G634 WeakPolarHBondContact CG-O 3.42Å; H632-G634 PolarHBondContact O-N 2.73Å
635	D	89.2	Confident	88.2	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.048	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-98.1	143.7	-175.5	-67.3	6.8	0	0	0	110.7	R604 L605 C606 Q607 H632	R604-D635 HydrophobicContact CG-CB 4.11Å; R604-D635 IonicContact NH1-OD2 3.86Å; L605-D635 VanDerWaalsContact O-CA 3.24Å; L605-D635 WeakPolarHBondContact O-CA 3.31Å; L605-D635 WeakPolarHBondContact O-CB 3.43Å; C606-D635 WeakPolarHBondContact CA-OD1 3.27Å; C606-D635 PolarHBondContact SG-OD2 3.49Å; Q607-D635 PolarHBondContact N-OD1 2.89Å; H632-D635 HydrophobicContact CB-CB 4.29Å; H632-D635 IonicContact CE1-OD1 3.81Å; H632-D635 IonicContact CG-OD1 2.7Å; H632-D635 IonicContact CG-OD2 2.86Å; H632-D635 VanDerWaalsContact ND1-CG 3.28Å; H632-D635 IonicContact ND1-OD1 3.05Å; H632-D635 PolarHBondContact ND1-OD1 2.85Å; H632-D635 IonicContact ND1-OD2 3.53Å; H632-D635 PolarHBondContact O-N 3.36Å
636	H	92.5	Very high	88.6	Confident	77 Å²	77	52.9 Å²	52.9	36%	0.356	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.6	170.8	-64.2	163.8	0	0	0	110	E579 R604 L605 Y638 I649	E579-H636 VanDerWaalsContact CD-ND1 3.27Å; E579-H636 WeakPolarHBondContact OE1-CB 3.41Å; E579-H636 IonicContact OE1-CE1 3.82Å; E579-H636 IonicContact OE1-CG 3.43Å; E579-H636 IonicContact OE1-ND1 3.93Å; E579-H636 PolarHBondContact OE1-ND1 2.88Å; E579-H636 IonicContact OE2-CE1 3.53Å; E579-H636 IonicContact OE2-ND1 2.7Å; E579-H636 PolarHBondContact OE2-ND1 2.77Å; R604-H636 CarbonylContact C-O 3.58Å; R604-H636 WeakPolarHBondContact CA-O 3.31Å; L605-H636 PolarHBondContact N-O 2.91Å; L605-H636 PolarHBondContact O-N 3.38Å; H636-Y638 HydrophobicContact CB-CE2 3.91Å; H636-I649 HydrophobicContact CB-CD1 4.41Å
637	V	94.6	Very high	89.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.9	175.3	-175.9	0	0	0	0	108.8	L603 R604 F627 P629 V650	L603-V637 CarbonylContact O-C 3.52Å; L603-V637 WeakPolarHBondContact O-CA 3.41Å; R604-V637 HydrophobicContact CB-CG2 4.43Å; R604-V637 HydrophobicContact CG-CG2 4.15Å; R604-V637 VanDerWaalsContact CZ-CG2 3.41Å; F627-V637 HydrophobicContact CB-CG1 4.2Å; P629-V637 HydrophobicContact CB-CG2 4.42Å; V637-V650 HydrophobicContact CB-CB 4.12Å; V637-V650 HydrophobicContact CB-CG2 4.35Å; V637-V650 HydrophobicContact CG1-CB 4.13Å; V637-V650 HydrophobicContact CG1-CG2 3.9Å; V637-V650 PolarHBondContact O-N 3.19Å
638	Y	96.8	Very high	89.2	Confident	22 Å²	22	55.2 Å²	55.2	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.4	177.1	-72.7	-95.8	0	0	0	110.6	E579 V583 F602 L603 L605 H636 Q648 I649	E579-Y638 WeakPolarHBondContact OE1-CE2 3.31Å; E579-Y638 PolarHBondContact OE1-OH 3Å; V583-Y638 HydrophobicContact CG1-CD1 4.17Å; V583-Y638 HydrophobicContact CG1-CE1 4.34Å; V583-Y638 HydrophobicContact CG2-CD1 4.39Å; V583-Y638 HydrophobicContact CG2-CD2 4.18Å; V583-Y638 HydrophobicContact CG2-CE1 4.12Å; V583-Y638 HydrophobicContact CG2-CE2 3.9Å; V583-Y638 HydrophobicContact CG2-CG 4.42Å; F602-Y638 CarbonylContact C-O 3.52Å; F602-Y638 WeakPolarHBondContact CA-O 3.21Å; L603-Y638 PolarHBondContact N-O 2.97Å; L603-Y638 PolarHBondContact O-N 3.28Å; L605-Y638 HydrophobicContact CD1-CE2 4.02Å; L605-Y638 HydrophobicContact CG-CE2 4.33Å; H636-Y638 HydrophobicContact CB-CE2 3.91Å; Y638-Q648 CarbonylContact C-O 3.59Å; Y638-Q648 WeakPolarHBondContact CA-O 3.34Å; Y638-I649 HydrophobicContact CD1-CB 4.45Å; Y638-I649 HydrophobicContact CE1-CB 4.17Å
639	F	96.1	Very high	89.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.9	176.9	168.8	-106.8	0	0	0	110.2	I601 F602 N641 Y647 Q648 V650 L654 I658 F663 L665	I601-F639 HydrophobicContact CG2-CD2 3.54Å; I601-F639 HydrophobicContact CG2-CE2 3.45Å; I601-F639 VanDerWaalsContact CG2-CE2 3.45Å; I601-F639 CarbonylContact O-C 3.53Å; I601-F639 WeakPolarHBondContact O-CA 3.38Å; F602-F639 HydrophobicContact CD1-CB 4.34Å; F602-F639 HydrophobicContact CD1-CD2 4.11Å; F602-F639 HydrophobicContact CE1-CB 4.33Å; F602-F639 AromaticContact CE1-CD2 3.56Å; F602-F639 HydrophobicContact CE1-CD2 3.56Å; F602-F639 HydrophobicContact CE1-CE2 4.35Å; F602-F639 HydrophobicContact CE1-CG 4.39Å; F602-F639 HydrophobicContact CZ-CD2 4.09Å; F602-F639 HydrophobicContact CZ-CE2 4.47Å; F639-N641 HydrophobicContact CE1-CB 4.5Å; F639-N641 PolarHBondContact O-N 3.47Å; F639-Y647 CarbonylContact O-C 3.57Å; F639-Y647 VanDerWaalsContact O-CA 3.31Å; F639-Y647 WeakPolarHBondContact O-CA 3.49Å; F639-Q648 HydrophobicContact CD1-CG 4.35Å; F639-Q648 PolarHBondContact N-O 2.83Å; F639-Q648 PolarHBondContact O-N 3.27Å; F639-V650 HydrophobicContact CB-CG2 3.55Å; F639-L654 HydrophobicContact CB-CD2 4.3Å; F639-L654 HydrophobicContact CD1-CD1 4.36Å; F639-L654 HydrophobicContact CD1-CD2 4.29Å; F639-I658 HydrophobicContact CB-CD1 4.01Å; F639-I658 HydrophobicContact CD1-CD1 4.06Å; F639-I658 HydrophobicContact CD2-CD1 3.6Å; F639-I658 HydrophobicContact CD2-CG1 4.22Å; F639-I658 HydrophobicContact CE1-CD1 4.38Å; F639-I658 HydrophobicContact CE1-CG1 4.37Å; F639-I658 HydrophobicContact CE2-CD1 3.96Å; F639-I658 HydrophobicContact CE2-CG1 4.05Å; F639-I658 HydrophobicContact CG-CD1 3.63Å; F639-I658 HydrophobicContact CG-CG1 4.43Å; F639-I658 HydrophobicContact CZ-CD1 4.32Å; F639-I658 HydrophobicContact CZ-CG1 4.12Å; F639-F663 AromaticContact CE1-CD1 3.97Å; F639-F663 HydrophobicContact CE1-CD1 3.97Å; F639-F663 HydrophobicContact CE1-CD2 4.18Å; F639-F663 AromaticContact CE1-CE1 3.98Å; F639-F663 HydrophobicContact CE1-CE1 3.98Å; F639-F663 HydrophobicContact CE1-CE2 4.21Å; F639-F663 HydrophobicContact CE1-CG 4.08Å; F639-F663 HydrophobicContact CE1-CZ 4.11Å; F639-F663 HydrophobicContact CZ-CB 4.31Å; F639-F663 HydrophobicContact CZ-CD1 4.22Å; F639-F663 HydrophobicContact CZ-CD2 4.16Å; F639-F663 AromaticContact CZ-CG 3.96Å; F639-F663 HydrophobicContact CZ-CG 3.96Å; F639-L665 HydrophobicContact CE2-CD1 4.26Å; F639-L665 HydrophobicContact CE2-CD2 3.84Å; F639-L665 HydrophobicContact CZ-CD2 3.73Å
640	L	94.9	Very high	89.6	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.089	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	103.5	175.3	-177.2	61.9	0	0	0	109.4	R599 I601 P642 Y647	R599-L640 VanDerWaalsContact NH2-CD2 3.34Å; I601-L640 PolarHBondContact O-N 3.27Å; L640-P642 WeakPolarHBondContact O-CD 3.41Å; L640-Y647 HydrophobicContact CB-CD1 3.85Å; L640-Y647 HydrophobicContact CB-CE1 3.54Å; L640-Y647 HydrophobicContact CD1-CD1 4.45Å; L640-Y647 HydrophobicContact CD1-CD2 4.25Å; L640-Y647 HydrophobicContact CD1-CE1 4.36Å; L640-Y647 HydrophobicContact CD1-CE2 4.15Å; L640-Y647 HydrophobicContact CD1-CG 4.39Å; L640-Y647 HydrophobicContact CG-CE1 4.41Å
641	N	90.9	Very high	89.8	Confident	19 Å²	19	57.7 Å²	57.7	10%	0.102	31%	0.305	C	S	.	.			trans	-66.9	120.9	179.2	-179.1	-35.2	0	0	0	109.9	F639 K643 T644 K645 V646 Q648	F639-N641 HydrophobicContact CE1-CB 4.5Å; F639-N641 PolarHBondContact O-N 3.47Å; N641-K643 PolarHBondContact O-N 2.78Å; N641-K643 WeakPolarHBondContact OD1-CB 3.4Å; N641-K643 PolarHBondContact OD1-N 3.23Å; N641-T644 WeakPolarHBondContact CB-OG1 3.07Å; N641-T644 PolarHBondContact O-N 2.69Å; N641-T644 PolarHBondContact OD1-N 3.45Å; N641-K645 VanDerWaalsContact O-CA 3.31Å; N641-K645 WeakPolarHBondContact O-CA 3.38Å; N641-K645 PolarHBondContact O-N 2.8Å; N641-V646 PolarHBondContact N-O 3.37Å; N641-Q648 PolarHBondContact ND2-OE1 3.47Å; N641-Q648 VanDerWaalsContact ND2-OE1 3.16Å
642	P	84	Confident	90.1	Very high	28 Å²	28	58 Å²	58	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23	-173.6	25.5	-34.9	0	0	0	113.3	L640 K645 F663 L665	L640-P642 WeakPolarHBondContact O-CD 3.41Å; P642-K645 WeakPolarHBondContact O-CD 3.37Å; P642-K645 WeakPolarHBondContact O-CE 3.49Å; P642-K645 PolarHBondContact O-NZ 2.75Å; P642-F663 HydrophobicContact CG-CB 4.41Å; P642-F663 HydrophobicContact CG-CD1 4.19Å; P642-L665 HydrophobicContact CG-CD2 4.17Å
643	K	86.1	Confident	90.6	Very high	187 Å²	187	61.1 Å²	61.1	81%	0.813	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-49	178.7	-64.9	-178.1	179.5	176.1	0	112.2	N641	N641-K643 PolarHBondContact O-N 2.78Å; N641-K643 WeakPolarHBondContact OD1-CB 3.4Å; N641-K643 PolarHBondContact OD1-N 3.23Å
644	T	90.9	Very high	91.3	Very high	84 Å²	84	55.9 Å²	55.9	52%	0.515	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.3	-176.5	63.1	0	0	0	0	112.9	N641 V646	N641-T644 WeakPolarHBondContact CB-OG1 3.07Å; N641-T644 PolarHBondContact O-N 2.69Å; N641-T644 PolarHBondContact OD1-N 3.45Å; T644-V646 PolarHBondContact O-N 3.25Å; T644-V646 PolarHBondContact OG1-N 3.16Å
645	K	89.1	Confident	91.9	Very high	116 Å²	116	55.6 Å²	55.6	50%	0.504	27%	0.274	S	S	.	.			trans	57.7	26.5	-173	-53.8	-57.8	-170.8	-163.2	0	113.5	N587 N641 P642	N587-K645 PolarHBondContact ND2-O 3.17Å; N641-K645 VanDerWaalsContact O-CA 3.31Å; N641-K645 WeakPolarHBondContact O-CA 3.38Å; N641-K645 PolarHBondContact O-N 2.8Å; P642-K645 WeakPolarHBondContact O-CD 3.37Å; P642-K645 WeakPolarHBondContact O-CE 3.49Å; P642-K645 PolarHBondContact O-NZ 2.75Å
646	V	93.4	Very high	91.9	Very high	81 Å²	81	58.6 Å²	58.6	49%	0.491	29%	0.29	S	S	.	.	S	Bend	trans	-118.5	142.7	178	178.9	0	0	0	0	109.5	N641 T644	N641-V646 PolarHBondContact N-O 3.37Å; T644-V646 PolarHBondContact O-N 3.25Å; T644-V646 PolarHBondContact OG1-N 3.16Å
647	Y	96.2	Very high	91.7	Very high	13 Å²	13	57.3 Å²	57.3	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128	171.6	-74.5	-76.2	0	0	0	110.7	V583 N587 P600 L603 F639 L640	V583-Y647 HydrophobicContact CG1-CD2 4.05Å; V583-Y647 HydrophobicContact CG1-CG 4.06Å; N587-Y647 HydrophobicContact CB-CD2 3.72Å; N587-Y647 HydrophobicContact CB-CE2 3.76Å; N587-Y647 WeakPolarHBondContact OD1-CE2 3.47Å; P600-Y647 PolarHBondContact O-OH 2.81Å; L603-Y647 HydrophobicContact CD1-CD1 3.9Å; L603-Y647 HydrophobicContact CD1-CD2 3.85Å; L603-Y647 HydrophobicContact CD1-CE1 3.91Å; L603-Y647 HydrophobicContact CD1-CE2 3.87Å; L603-Y647 HydrophobicContact CD1-CG 3.88Å; L603-Y647 HydrophobicContact CD2-CE1 3.99Å; L603-Y647 HydrophobicContact CD2-CE2 4.49Å; L603-Y647 HydrophobicContact CG-CD1 3.84Å; L603-Y647 HydrophobicContact CG-CE1 3.54Å; L603-Y647 HydrophobicContact CG-CE2 4.3Å; L603-Y647 HydrophobicContact CG-CG 4.34Å; F639-Y647 CarbonylContact O-C 3.57Å; F639-Y647 VanDerWaalsContact O-CA 3.31Å; F639-Y647 WeakPolarHBondContact O-CA 3.49Å; L640-Y647 HydrophobicContact CB-CD1 3.85Å; L640-Y647 HydrophobicContact CB-CE1 3.54Å; L640-Y647 HydrophobicContact CD1-CD1 4.45Å; L640-Y647 HydrophobicContact CD1-CD2 4.25Å; L640-Y647 HydrophobicContact CD1-CE1 4.36Å; L640-Y647 HydrophobicContact CD1-CE2 4.15Å; L640-Y647 HydrophobicContact CD1-CG 4.39Å; L640-Y647 HydrophobicContact CG-CE1 4.41Å
648	Q	94.1	Very high	91.4	Very high	63 Å²	63	57.3 Å²	57.3	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.2	174.7	63.7	-170.7	21.9	0	0	109.8	Y638 F639 N641 V650 L654	Y638-Q648 CarbonylContact C-O 3.59Å; Y638-Q648 WeakPolarHBondContact CA-O 3.34Å; F639-Q648 HydrophobicContact CD1-CG 4.35Å; F639-Q648 PolarHBondContact N-O 2.83Å; F639-Q648 PolarHBondContact O-N 3.27Å; N641-Q648 PolarHBondContact ND2-OE1 3.47Å; N641-Q648 VanDerWaalsContact ND2-OE1 3.16Å; Q648-V650 PolarHBondContact O-N 3.4Å; Q648-L654 HydrophobicContact CG-CD2 3.62Å
649	I	94.2	Very high	90.9	Very high	90 Å²	90	58.3 Å²	58.3	46%	0.462	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.1	-179.6	-163.9	167.8	0	0	0	110.5	H636 Y638 N651	H636-I649 HydrophobicContact CB-CD1 4.41Å; Y638-I649 HydrophobicContact CD1-CB 4.45Å; Y638-I649 HydrophobicContact CE1-CB 4.17Å; I649-N651 PolarHBondContact O-N 2.97Å
650	V	92.8	Very high	90.3	Very high	6 Å²	6	64 Å²	64	4%	0.036	32%	0.323	C	S	.	.			trans	-84.6	105.1	179.1	-175.9	0	0	0	0	108.9	P629 V637 F639 Q648 L654 F655	P629-V650 VanDerWaalsContact CB-O 3.27Å; P629-V650 WeakPolarHBondContact CB-O 3.34Å; P629-V650 HydrophobicContact CG-CG1 4.07Å; V637-V650 HydrophobicContact CB-CB 4.12Å; V637-V650 HydrophobicContact CB-CG2 4.35Å; V637-V650 HydrophobicContact CG1-CB 4.13Å; V637-V650 HydrophobicContact CG1-CG2 3.9Å; V637-V650 PolarHBondContact O-N 3.19Å; F639-V650 HydrophobicContact CB-CG2 3.55Å; Q648-V650 PolarHBondContact O-N 3.4Å; V650-L654 HydrophobicContact CG2-CD2 4.28Å; V650-F655 HydrophobicContact CG1-CB 3.86Å
651	N	91.8	Very high	89.2	Confident	87 Å²	87	67.8 Å²	67.8	47%	0.465	34%	0.343	S	S	.	.			trans	-92	174.4	165.4	65.7	18.4	0	0	0	110.4	I649 Q653 L654 F655	I649-N651 PolarHBondContact O-N 2.97Å; N651-Q653 PolarHBondContact O-N 2.93Å; N651-Q653 PolarHBondContact OD1-N 3.5Å; N651-L654 PolarHBondContact O-N 3.3Å; N651-L654 WeakPolarHBondContact OD1-CB 3.46Å; N651-L654 PolarHBondContact OD1-N 2.92Å; N651-F655 WeakPolarHBondContact O-CB 3.17Å; N651-F655 PolarHBondContact O-N 3.46Å
652	Q	88.3	Confident	88.3	Confident	91 Å²	91	71.2 Å²	71.2	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-35.8	-178.4	-168.4	63.3	36.7	0	0	113	N656	Q652-N656 PolarHBondContact O-N 3.37Å; Q652-N656 VanDerWaalsContact O-N 3.12Å; Q652-N656 PolarHBondContact O-ND2 3.12Å; Q652-N656 PolarHBondContact O-OD1 3.39Å
653	Q	91.1	Very high	87.8	Confident	135 Å²	135	71.3 Å²	71.3	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-51.2	178.7	-177.3	175.4	4.1	0	0	111.1	N651 F655 N656 D657	N651-Q653 PolarHBondContact O-N 2.93Å; N651-Q653 PolarHBondContact OD1-N 3.5Å; Q653-F655 VanDerWaalsContact C-N 3.29Å; Q653-F655 PolarHBondContact O-N 3.08Å; Q653-N656 WeakPolarHBondContact O-CB 3.38Å; Q653-N656 PolarHBondContact O-N 3.5Å; Q653-N656 VanDerWaalsContact O-N 3.1Å; Q653-D657 VanDerWaalsContact O-CG 3.3Å; Q653-D657 PolarHBondContact O-N 3.25Å
654	L	90.7	Very high	86.8	Confident	13 Å²	13	67.9 Å²	67.9	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-36.8	178.6	-179.5	58.7	0	0	0	111.8	F639 Q648 V650 N651 N656 D657 I658 F663	F639-L654 HydrophobicContact CB-CD2 4.3Å; F639-L654 HydrophobicContact CD1-CD1 4.36Å; F639-L654 HydrophobicContact CD1-CD2 4.29Å; Q648-L654 HydrophobicContact CG-CD2 3.62Å; V650-L654 HydrophobicContact CG2-CD2 4.28Å; N651-L654 PolarHBondContact O-N 3.3Å; N651-L654 WeakPolarHBondContact OD1-CB 3.46Å; N651-L654 PolarHBondContact OD1-N 2.92Å; L654-N656 VanDerWaalsContact C-N 3.34Å; L654-N656 PolarHBondContact O-N 3.22Å; L654-D657 PolarHBondContact O-N 2.82Å; L654-I658 HydrophobicContact CD1-CD1 4.15Å; L654-I658 HydrophobicContact CD1-CG1 4.22Å; L654-I658 HydrophobicContact CG-CD1 3.9Å; L654-I658 HydrophobicContact CG-CG1 4.45Å; L654-I658 WeakPolarHBondContact O-CD1 3.46Å; L654-I658 WeakPolarHBondContact O-CG1 3.19Å; L654-I658 PolarHBondContact O-N 3.45Å; L654-F663 HydrophobicContact CD1-CE2 3.44Å; L654-F663 VanDerWaalsContact CD1-CE2 3.44Å; L654-F663 HydrophobicContact CD1-CZ 3.44Å; L654-F663 VanDerWaalsContact CD1-CZ 3.44Å
655	F	91.3	Very high	85.7	Confident	29 Å²	29	66.5 Å²	66.5	13%	0.127	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-45.3	172.8	175.6	-102.2	0	0	0	111.9	F627 D628 P629 V650 N651 Q653 I658 N659	F627-F655 AromaticContact CD2-CD2 3.64Å; F627-F655 HydrophobicContact CD2-CD2 3.64Å; F627-F655 AromaticContact CD2-CE2 3.7Å; F627-F655 HydrophobicContact CD2-CE2 3.7Å; F627-F655 AromaticContact CE2-CD2 3.64Å; F627-F655 HydrophobicContact CE2-CD2 3.64Å; F627-F655 AromaticContact CE2-CE2 3.54Å; F627-F655 HydrophobicContact CE2-CE2 3.54Å; F627-F655 HydrophobicContact CZ-CE2 4.36Å; D628-F655 VanDerWaalsContact CA-CE2 3.46Å; D628-F655 HydrophobicContact CB-CD2 4.42Å; D628-F655 HydrophobicContact CB-CE2 3.68Å; D628-F655 HydrophobicContact CB-CZ 3.85Å; P629-F655 HydrophobicContact CG-CB 4.42Å; V650-F655 HydrophobicContact CG1-CB 3.86Å; N651-F655 WeakPolarHBondContact O-CB 3.17Å; N651-F655 PolarHBondContact O-N 3.46Å; Q653-F655 VanDerWaalsContact C-N 3.29Å; Q653-F655 PolarHBondContact O-N 3.08Å; F655-I658 PolarHBondContact O-N 2.95Å; F655-N659 WeakPolarHBondContact CD1-ND2 3.3Å; F655-N659 WeakPolarHBondContact CE1-ND2 3.42Å; F655-N659 WeakPolarHBondContact CE2-ND2 3.39Å; F655-N659 WeakPolarHBondContact CZ-ND2 3.5Å; F655-N659 PolarHBondContact O-N 2.9Å; F655-N659 VanDerWaalsContact O-N 3.08Å; F655-N659 PolarHBondContact O-ND2 3.39Å; F655-N659 VanDerWaalsContact O-ND2 3.08Å
656	N	90.4	Very high	85.5	Confident	71 Å²	71	64 Å²	64	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-40.9	176	-66.7	-16.3	0	0	0	111.7	Q652 Q653 L654 I658 N659 N660	Q652-N656 PolarHBondContact O-N 3.37Å; Q652-N656 VanDerWaalsContact O-N 3.12Å; Q652-N656 PolarHBondContact O-ND2 3.12Å; Q652-N656 PolarHBondContact O-OD1 3.39Å; Q653-N656 WeakPolarHBondContact O-CB 3.38Å; Q653-N656 PolarHBondContact O-N 3.5Å; Q653-N656 VanDerWaalsContact O-N 3.1Å; L654-N656 VanDerWaalsContact C-N 3.34Å; L654-N656 PolarHBondContact O-N 3.22Å; N656-I658 VanDerWaalsContact C-N 3.32Å; N656-I658 PolarHBondContact O-N 3.34Å; N656-N659 PolarHBondContact O-N 3.1Å; N656-N660 WeakPolarHBondContact O-CB 3.12Å; N656-N660 VanDerWaalsContact O-CG 3.3Å; N656-N660 PolarHBondContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 3Å
657	D	89.1	Confident	85.1	Confident	50 Å²	50	63.1 Å²	63.1	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-40.7	177.8	-67.3	-18.9	0	0	0	111.6	Q653 L654 N660 D661 V662 F663	Q653-D657 VanDerWaalsContact O-CG 3.3Å; Q653-D657 PolarHBondContact O-N 3.25Å; L654-D657 PolarHBondContact O-N 2.82Å; D657-N660 PolarHBondContact O-N 3.25Å; D657-D661 PolarHBondContact O-N 3.34Å; D657-V662 HydrophobicContact CB-CB 4Å; D657-V662 HydrophobicContact CB-CG1 4.4Å; D657-V662 HydrophobicContact CB-CG2 3.98Å; D657-V662 VanDerWaalsContact O-CB 3.24Å; D657-V662 WeakPolarHBondContact O-CB 3.24Å; D657-V662 VanDerWaalsContact O-CG2 3.28Å; D657-V662 WeakPolarHBondContact O-CG2 3.35Å; D657-V662 PolarHBondContact O-N 3.26Å; D657-F663 HydrophobicContact CB-CE2 3.9Å
658	I	86.9	Confident	84.5	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-44.6	175.2	-67.5	162.1	0	0	0	110.9	I555 F602 F627 F639 L654 F655 N656 N660 D661 F663	I555-I658 HydrophobicContact CG2-CG2 3.97Å; F602-I658 HydrophobicContact CE1-CD1 4.13Å; F602-I658 HydrophobicContact CZ-CG2 4.15Å; F627-I658 HydrophobicContact CD2-CG2 4.49Å; F627-I658 HydrophobicContact CE2-CB 4.39Å; F627-I658 HydrophobicContact CE2-CG2 3.74Å; F627-I658 HydrophobicContact CZ-CG2 4.05Å; F639-I658 HydrophobicContact CB-CD1 4.01Å; F639-I658 HydrophobicContact CD1-CD1 4.06Å; F639-I658 HydrophobicContact CD2-CD1 3.6Å; F639-I658 HydrophobicContact CD2-CG1 4.22Å; F639-I658 HydrophobicContact CE1-CD1 4.38Å; F639-I658 HydrophobicContact CE1-CG1 4.37Å; F639-I658 HydrophobicContact CE2-CD1 3.96Å; F639-I658 HydrophobicContact CE2-CG1 4.05Å; F639-I658 HydrophobicContact CG-CD1 3.63Å; F639-I658 HydrophobicContact CG-CG1 4.43Å; F639-I658 HydrophobicContact CZ-CD1 4.32Å; F639-I658 HydrophobicContact CZ-CG1 4.12Å; L654-I658 HydrophobicContact CD1-CD1 4.15Å; L654-I658 HydrophobicContact CD1-CG1 4.22Å; L654-I658 HydrophobicContact CG-CD1 3.9Å; L654-I658 HydrophobicContact CG-CG1 4.45Å; L654-I658 WeakPolarHBondContact O-CD1 3.46Å; L654-I658 WeakPolarHBondContact O-CG1 3.19Å; L654-I658 PolarHBondContact O-N 3.45Å; F655-I658 PolarHBondContact O-N 2.95Å; N656-I658 VanDerWaalsContact C-N 3.32Å; N656-I658 PolarHBondContact O-N 3.34Å; I658-N660 VanDerWaalsContact C-N 3.31Å; I658-N660 PolarHBondContact O-N 3.44Å; I658-D661 PolarHBondContact O-N 3.27Å; I658-F663 HydrophobicContact CG1-CD2 3.99Å; I658-F663 HydrophobicContact CG1-CE2 4.06Å
659	N	85.7	Confident	83.9	Confident	42 Å²	42	66.1 Å²	66.1	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-70.6	-24.8	-180	-75.1	-44.2	0	0	0	113.9	P556 F627 F655 N656 D661	P556-N659 VanDerWaalsContact CD-OD1 3.3Å; P556-N659 WeakPolarHBondContact CD-OD1 3.28Å; P556-N659 HydrophobicContact CG-CB 4.45Å; P556-N659 WeakPolarHBondContact CG-OD1 3.46Å; F627-N659 WeakPolarHBondContact CZ-OD1 3.29Å; F655-N659 WeakPolarHBondContact CD1-ND2 3.3Å; F655-N659 WeakPolarHBondContact CE1-ND2 3.42Å; F655-N659 WeakPolarHBondContact CE2-ND2 3.39Å; F655-N659 WeakPolarHBondContact CZ-ND2 3.5Å; F655-N659 PolarHBondContact O-N 2.9Å; F655-N659 VanDerWaalsContact O-N 3.08Å; F655-N659 PolarHBondContact O-ND2 3.39Å; F655-N659 VanDerWaalsContact O-ND2 3.08Å; N656-N659 PolarHBondContact O-N 3.1Å; N659-D661 VanDerWaalsContact C-N 3.32Å
660	N	84.1	Confident	83.2	Confident	121 Å²	121	64.6 Å²	64.6	65%	0.647	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	12.8	177.3	-69.7	-29.3	0	0	0	113.2	N656 D657 I658 V662	N656-N660 WeakPolarHBondContact O-CB 3.12Å; N656-N660 VanDerWaalsContact O-CG 3.3Å; N656-N660 PolarHBondContact O-N 3.08Å; N656-N660 PolarHBondContact O-ND2 3Å; D657-N660 PolarHBondContact O-N 3.25Å; I658-N660 VanDerWaalsContact C-N 3.31Å; I658-N660 PolarHBondContact O-N 3.44Å; N660-V662 VanDerWaalsContact C-N 3.28Å; N660-V662 HydrophobicContact CB-CG2 4.31Å; N660-V662 PolarHBondContact O-N 3.44Å
661	D	71.8	Confident	82.6	Confident	95 Å²	95	68.5 Å²	68.5	51%	0.508	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	33	177.1	-157.1	28.5	0	0	0	113.8	D657 I658 N659 F663	D657-D661 PolarHBondContact O-N 3.34Å; I658-D661 PolarHBondContact O-N 3.27Å; N659-D661 VanDerWaalsContact C-N 3.32Å; D661-F663 PolarHBondContact O-N 3.48Å
662	V	71.7	Confident	82	Confident	91 Å²	91	67.1 Å²	67.1	55%	0.552	36%	0.361	S	S	*	.			trans	-68.2	-25.8	177	177.6	0	0	0	0	111.5	D657 N660	D657-V662 HydrophobicContact CB-CB 4Å; D657-V662 HydrophobicContact CB-CG1 4.4Å; D657-V662 HydrophobicContact CB-CG2 3.98Å; D657-V662 VanDerWaalsContact O-CB 3.24Å; D657-V662 WeakPolarHBondContact O-CB 3.24Å; D657-V662 VanDerWaalsContact O-CG2 3.28Å; D657-V662 WeakPolarHBondContact O-CG2 3.35Å; D657-V662 PolarHBondContact O-N 3.26Å; N660-V662 VanDerWaalsContact C-N 3.28Å; N660-V662 HydrophobicContact CB-CG2 4.31Å; N660-V662 PolarHBondContact O-N 3.44Å
663	F	73.3	Confident	81.5	Confident	31 Å²	31	65.3 Å²	65.3	14%	0.136	36%	0.357	C	S	.	.	S	Bend	trans	-100.9	122.2	176.4	-62.6	-88.5	0	0	0	109.5	F639 P642 L654 D657 I658 D661 L665	F639-F663 AromaticContact CE1-CD1 3.97Å; F639-F663 HydrophobicContact CE1-CD1 3.97Å; F639-F663 HydrophobicContact CE1-CD2 4.18Å; F639-F663 AromaticContact CE1-CE1 3.98Å; F639-F663 HydrophobicContact CE1-CE1 3.98Å; F639-F663 HydrophobicContact CE1-CE2 4.21Å; F639-F663 HydrophobicContact CE1-CG 4.08Å; F639-F663 HydrophobicContact CE1-CZ 4.11Å; F639-F663 HydrophobicContact CZ-CB 4.31Å; F639-F663 HydrophobicContact CZ-CD1 4.22Å; F639-F663 HydrophobicContact CZ-CD2 4.16Å; F639-F663 AromaticContact CZ-CG 3.96Å; F639-F663 HydrophobicContact CZ-CG 3.96Å; P642-F663 HydrophobicContact CG-CB 4.41Å; P642-F663 HydrophobicContact CG-CD1 4.19Å; L654-F663 HydrophobicContact CD1-CE2 3.44Å; L654-F663 VanDerWaalsContact CD1-CE2 3.44Å; L654-F663 HydrophobicContact CD1-CZ 3.44Å; L654-F663 VanDerWaalsContact CD1-CZ 3.44Å; D657-F663 HydrophobicContact CB-CE2 3.9Å; I658-F663 HydrophobicContact CG1-CD2 3.99Å; I658-F663 HydrophobicContact CG1-CE2 4.06Å; D661-F663 PolarHBondContact O-N 3.48Å; F663-L665 VanDerWaalsContact C-N 3.34Å; F663-L665 HydrophobicContact CB-CD2 4.34Å; F663-L665 HydrophobicContact CB-CG 4.08Å; F663-L665 PolarHBondContact O-N 3.24Å
664	S	66.8	Low	80.7	Confident	114 Å²	114	59.5 Å²	59.5	80%	0.797	33%	0.334	S	S	*	.			trans	-69.3	96.7	163.5	-175.2	0	0	0	0	107.9
665	L	66.2	Low	79.7	Confident	55 Å²	55	63.7 Å²	63.7	29%	0.288	36%	0.358	S	S	.	.			trans	-83.8	0	-179.2	-76.2	176	0	0	0	112.9	W525 H526 I555 I601 F639 P642 F663	W525-L665 HydrophobicContact CZ2-CB 4.28Å; H526-L665 PolarHBondContact CE1-O 2.93Å; H526-L665 VanDerWaalsContact CE1-O 3.26Å; H526-L665 PolarHBondContact NE2-O 3.3Å; I555-L665 HydrophobicContact CD1-CD1 3.5Å; I555-L665 VanDerWaalsContact CD1-CD1 3.5Å; I555-L665 HydrophobicContact CG2-CD1 4.43Å; I601-L665 HydrophobicContact CD1-CD2 4.34Å; I601-L665 HydrophobicContact CG2-CD2 4.49Å; F639-L665 HydrophobicContact CE2-CD1 4.26Å; F639-L665 HydrophobicContact CE2-CD2 3.84Å; F639-L665 HydrophobicContact CZ-CD2 3.73Å; P642-L665 HydrophobicContact CG-CD2 4.17Å; F663-L665 VanDerWaalsContact C-N 3.34Å; F663-L665 HydrophobicContact CB-CD2 4.34Å; F663-L665 HydrophobicContact CB-CG 4.08Å; F663-L665 PolarHBondContact O-N 3.24Å

Retrieved 665 of 665 residues in 1220.9 ms (Link to these results)

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