A0A077ZJ62_TRITR Loading...

DNA replication licensing factor MCM3

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A077ZJ62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 698 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	69.2	Low	221 Å²	221	114 Å²	114	100%	1.089	57%	0.572	S	S	*	*				0	-39.7	0	-63	-50	-79.9	0	0	112.3	T3	M1-T3 PolarHBondContact O-N 2.82Å
2	T	44	Very low	70.4	Confident	97 Å²	97	106.1 Å²	106.1	60%	0.595	53%	0.532	S	S	*	.			trans	-74.9	-1.5	170.4	47.1	0	0	0	0	114.4	E6	T2-E6 VanDerWaalsContact O-CD 3.25Å; T2-E6 VanDerWaalsContact O-CG 3.28Å; T2-E6 WeakPolarHBondContact O-CG 3.19Å
3	T	61.7	Low	71.6	Confident	69 Å²	69	99.8 Å²	99.8	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-88	-19.8	-156.8	40.6	0	0	0	0	116.4	M1 Q7	M1-T3 PolarHBondContact O-N 2.82Å; T3-Q7 WeakPolarHBondContact O-CB 3.41Å; T3-Q7 WeakPolarHBondContact O-CG 3.4Å; T3-Q7 PolarHBondContact O-N 3.33Å; T3-Q7 PolarHBondContact O-NE2 2.99Å
4	E	68	Low	72.6	Confident	148 Å²	148	105.2 Å²	105.2	69%	0.692	51%	0.512	S	S	*	.	H	α-helix	trans	-85.7	-51.6	-176.8	-69.9	173.3	177	0	0	111.5	E6 Q7 E8	E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 3.44Å; E4-Q7 WeakPolarHBondContact O-CB 3.45Å; E4-Q7 PolarHBondContact O-N 3.36Å; E4-Q7 VanDerWaalsContact O-N 3.09Å; E4-E8 PolarHBondContact O-N 3.08Å
5	Q	67.4	Low	73.5	Confident	149 Å²	149	103.2 Å²	103.2	70%	0.696	50%	0.501	S	S	*	.	H	α-helix	trans	-62.6	-37.6	178.2	-67.8	-179.5	-16.4	0	0	112.5	E8 L9	Q5-E8 PolarHBondContact O-N 2.87Å; Q5-L9 VanDerWaalsContact O-CG 3.26Å; Q5-L9 WeakPolarHBondContact O-CG 3.21Å; Q5-L9 PolarHBondContact O-N 3.39Å
6	E	74.5	Confident	74.2	Confident	106 Å²	106	97.4 Å²	97.4	50%	0.495	47%	0.472	S	S	.	.	H	α-helix	trans	-65.6	-37.4	174.1	-71.1	174.1	178.9	0	0	111.8	T2 E4 L9 L10	T2-E6 VanDerWaalsContact O-CD 3.25Å; T2-E6 VanDerWaalsContact O-CG 3.28Å; T2-E6 WeakPolarHBondContact O-CG 3.19Å; E4-E6 VanDerWaalsContact C-N 3.33Å; E4-E6 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 3.23Å; E6-L10 WeakPolarHBondContact O-CB 3.2Å; E6-L10 VanDerWaalsContact O-CG 3.28Å; E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 3.37Å
7	Q	78.3	Confident	74.8	Confident	118 Å²	118	93.5 Å²	93.5	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-68.8	-39.1	174.8	-76.9	171.4	14.6	0	0	112.2	T3 E4 L10 N11	T3-Q7 WeakPolarHBondContact O-CB 3.41Å; T3-Q7 WeakPolarHBondContact O-CG 3.4Å; T3-Q7 PolarHBondContact O-N 3.33Å; T3-Q7 PolarHBondContact O-NE2 2.99Å; E4-Q7 WeakPolarHBondContact O-CB 3.45Å; E4-Q7 PolarHBondContact O-N 3.36Å; E4-Q7 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 2.89Å; Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.36Å; Q7-N11 PolarHBondContact O-ND2 3.4Å; Q7-N11 VanDerWaalsContact O-ND2 3.13Å
8	E	79.4	Confident	75.2	Confident	124 Å²	124	91.2 Å²	91.2	58%	0.579	45%	0.454	S	S	*	.	H	α-helix	trans	-60.2	-47.5	173.2	-71.8	-179.5	160.7	0	0	111.5	E4 Q5 L10 N11 I12	E4-E8 PolarHBondContact O-N 3.08Å; Q5-E8 PolarHBondContact O-N 2.87Å; E8-L10 PolarHBondContact O-N 3.07Å; E8-N11 PolarHBondContact O-N 3.17Å; E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.29Å; E8-I12 PolarHBondContact O-N 3.09Å
9	L	80.3	Confident	75.6	Confident	52 Å²	52	86.5 Å²	86.5	27%	0.272	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-43	177.7	-67.3	167.7	0	0	0	112.2	Q5 E6 N11 I12 E13 C72	Q5-L9 VanDerWaalsContact O-CG 3.26Å; Q5-L9 WeakPolarHBondContact O-CG 3.21Å; Q5-L9 PolarHBondContact O-N 3.39Å; E6-L9 PolarHBondContact O-N 3.23Å; L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.41Å; L9-I12 WeakPolarHBondContact O-CB 3.45Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-E13 WeakPolarHBondContact O-CG 3.46Å; L9-E13 PolarHBondContact O-N 3.29Å; L9-C72 VanDerWaalsContact CD2-SG 3.58Å
10	L	82.8	Confident	75.8	Confident	90 Å²	90	82.9 Å²	82.9	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-65.6	-35.1	175.7	-72.7	169.4	0	0	0	112.7	E6 Q7 E8 R14	E6-L10 WeakPolarHBondContact O-CB 3.2Å; E6-L10 VanDerWaalsContact O-CG 3.28Å; E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 3.37Å; Q7-L10 PolarHBondContact O-N 2.89Å; E8-L10 PolarHBondContact O-N 3.07Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.9Å; L10-R14 VanDerWaalsContact O-N 3.08Å
11	N	85.7	Confident	75.8	Confident	80 Å²	80	83 Å²	83	43%	0.428	42%	0.415	S	S	.	.	H	α-helix	trans	-68.4	-37.7	174.5	-72.6	-27.2	0	0	0	111.5	Q7 E8 L9 Q15	Q7-N11 WeakPolarHBondContact O-CB 3.44Å; Q7-N11 PolarHBondContact O-N 3.36Å; Q7-N11 PolarHBondContact O-ND2 3.4Å; Q7-N11 VanDerWaalsContact O-ND2 3.13Å; E8-N11 PolarHBondContact O-N 3.17Å; L9-N11 VanDerWaalsContact C-N 3.34Å; L9-N11 PolarHBondContact O-N 3.41Å; N11-Q15 WeakPolarHBondContact O-CG 3.28Å; N11-Q15 PolarHBondContact O-N 2.97Å; N11-Q15 VanDerWaalsContact O-N 3.12Å
12	I	84.3	Confident	77.2	Confident	19 Å²	19	75.5 Å²	75.5	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-47.6	173.3	-70	164.7	0	0	0	110.7	E8 L9 R14 Q15 Y16 E69 C72	E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.29Å; E8-I12 PolarHBondContact O-N 3.09Å; L9-I12 WeakPolarHBondContact O-CB 3.45Å; L9-I12 PolarHBondContact O-N 2.96Å; I12-R14 PolarHBondContact O-N 3.08Å; I12-Q15 PolarHBondContact O-N 3.4Å; I12-Q15 VanDerWaalsContact O-N 3.13Å; I12-Y16 HydrophobicContact CG2-CD2 3.78Å; I12-Y16 HydrophobicContact CG2-CE2 3.4Å; I12-Y16 VanDerWaalsContact CG2-CE2 3.4Å; I12-Y16 VanDerWaalsContact O-CD2 3.29Å; I12-Y16 WeakPolarHBondContact O-CD2 3.39Å; I12-Y16 PolarHBondContact O-N 2.8Å; I12-E69 VanDerWaalsContact CG2-OE2 3.22Å; I12-E69 WeakPolarHBondContact CG2-OE2 3.28Å; I12-C72 HydrophobicContact CG2-CB 3.72Å
13	E	86	Confident	78.1	Confident	25 Å²	25	75.9 Å²	75.9	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-56.4	-47.5	177.3	-74	168.9	-169.6	0	0	111.3	L9 Q15 Y16 V17 C72 R75	L9-E13 WeakPolarHBondContact O-CG 3.46Å; L9-E13 PolarHBondContact O-N 3.29Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 2.96Å; E13-Y16 PolarHBondContact O-N 2.88Å; E13-Y16 VanDerWaalsContact O-N 3.17Å; E13-V17 WeakPolarHBondContact O-CG2 3.48Å; E13-V17 PolarHBondContact O-N 3.47Å; E13-C72 HydrophobicContact CG-CB 3.7Å; E13-R75 HydrophobicContact CG-CB 4.49Å; E13-R75 WeakPolarHBondContact OE1-CD 3.26Å; E13-R75 IonicContact OE1-CZ 3.18Å; E13-R75 IonicContact OE1-NE 3.74Å; E13-R75 IonicContact OE1-NH1 3.18Å; E13-R75 PolarHBondContact OE1-NH1 2.92Å
14	R	85.8	Confident	78	Confident	175 Å²	175	77.9 Å²	77.9	66%	0.66	40%	0.396	S	S	*	.	H	α-helix	trans	-60.2	-37.4	175.2	-73	171.4	177.7	176.6	-0.8	113.8	L10 I12 V17 A18	L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.9Å; L10-R14 VanDerWaalsContact O-N 3.08Å; I12-R14 PolarHBondContact O-N 3.08Å; R14-V17 PolarHBondContact O-N 3.49Å; R14-A18 PolarHBondContact O-N 2.74Å
15	Q	84.9	Confident	77.4	Confident	75 Å²	75	72.8 Å²	72.8	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-35.2	177.1	-74.4	174.8	10.4	0	0	112	N11 I12 E13 F19	N11-Q15 WeakPolarHBondContact O-CG 3.28Å; N11-Q15 PolarHBondContact O-N 2.97Å; N11-Q15 VanDerWaalsContact O-N 3.12Å; I12-Q15 PolarHBondContact O-N 3.4Å; I12-Q15 VanDerWaalsContact O-N 3.13Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 2.96Å; Q15-F19 WeakPolarHBondContact O-CB 3.3Å; Q15-F19 PolarHBondContact O-N 3.04Å
16	Y	84.9	Confident	76.7	Confident	10 Å²	10	71.8 Å²	71.8	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-71.9	-37.2	172.6	-73.7	-60	0	0	0	113	I12 E13 F19 L20 L51 L62 E69 A73	I12-Y16 HydrophobicContact CG2-CD2 3.78Å; I12-Y16 HydrophobicContact CG2-CE2 3.4Å; I12-Y16 VanDerWaalsContact CG2-CE2 3.4Å; I12-Y16 VanDerWaalsContact O-CD2 3.29Å; I12-Y16 WeakPolarHBondContact O-CD2 3.39Å; I12-Y16 PolarHBondContact O-N 2.8Å; E13-Y16 PolarHBondContact O-N 2.88Å; E13-Y16 VanDerWaalsContact O-N 3.17Å; Y16-F19 PolarHBondContact O-N 2.82Å; Y16-L20 WeakPolarHBondContact O-CB 3.4Å; Y16-L20 WeakPolarHBondContact O-CG 3.39Å; Y16-L20 PolarHBondContact O-N 2.98Å; Y16-L20 VanDerWaalsContact O-N 3.12Å; Y16-L51 HydrophobicContact CE1-CD1 4.1Å; Y16-L51 HydrophobicContact CE1-CD2 4.31Å; Y16-L62 HydrophobicContact CE1-CD1 4.5Å; Y16-E69 WeakPolarHBondContact CE2-OE2 3.17Å; Y16-E69 VanDerWaalsContact CZ-OE2 3.29Å; Y16-E69 PolarHBondContact OH-OE2 3.17Å; Y16-A73 HydrophobicContact CD1-CB 4.37Å; Y16-A73 HydrophobicContact CD2-CB 4.12Å; Y16-A73 HydrophobicContact CE2-CB 4.24Å; Y16-A73 HydrophobicContact CG-CB 4.21Å
17	V	84.7	Confident	76.2	Confident	31 Å²	31	67.9 Å²	67.9	19%	0.188	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-50.2	172.7	172.3	0	0	0	0	110.2	E13 R14 F19 L20 D21 A76 L80	E13-V17 WeakPolarHBondContact O-CG2 3.48Å; E13-V17 PolarHBondContact O-N 3.47Å; R14-V17 PolarHBondContact O-N 3.49Å; V17-F19 PolarHBondContact O-N 3.33Å; V17-L20 PolarHBondContact O-N 3.3Å; V17-D21 WeakPolarHBondContact O-CB 3.41Å; V17-D21 PolarHBondContact O-N 3.47Å; V17-A76 HydrophobicContact CG2-CB 3.68Å; V17-L80 HydrophobicContact CG1-CD1 4.39Å; V17-L80 HydrophobicContact CG1-CD2 4.01Å; V17-L80 HydrophobicContact CG1-CG 4.14Å
18	A	82.9	Confident	76.1	Confident	52 Å²	52	66 Å²	66	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-59.5	-44.5	176.8	0	0	0	0	0	112.8	R14 L20 D21 D22	R14-A18 PolarHBondContact O-N 2.74Å; A18-L20 VanDerWaalsContact C-N 3.27Å; A18-L20 PolarHBondContact O-N 3.01Å; A18-D21 PolarHBondContact O-N 3.43Å; A18-D22 WeakPolarHBondContact O-CB 3.32Å; A18-D22 VanDerWaalsContact O-CG 3.26Å; A18-D22 PolarHBondContact O-N 2.88Å
19	F	82.2	Confident	75.9	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	32%	0.324	C	S	.	.	H	α-helix	trans	-57.3	-38	178.3	171	-92.1	0	0	0	113.4	Q15 Y16 V17 Y29 V46 D50 L51 K54	Q15-F19 WeakPolarHBondContact O-CB 3.3Å; Q15-F19 PolarHBondContact O-N 3.04Å; Y16-F19 PolarHBondContact O-N 2.82Å; V17-F19 PolarHBondContact O-N 3.33Å; F19-Y29 HydrophobicContact CE1-CE1 4.47Å; F19-Y29 HydrophobicContact CE1-CE2 4.23Å; F19-Y29 AromaticContact CZ-CE2 3.98Å; F19-Y29 HydrophobicContact CZ-CE2 3.98Å; F19-V46 HydrophobicContact CE1-CG1 3.88Å; F19-V46 HydrophobicContact CZ-CG1 4.31Å; F19-D50 HydrophobicContact CE2-CB 4.32Å; F19-D50 HydrophobicContact CZ-CB 4.15Å; F19-L51 HydrophobicContact CD1-CD1 4.49Å; F19-L51 HydrophobicContact CD2-CD1 3.8Å; F19-L51 HydrophobicContact CE2-CB 4.12Å; F19-L51 HydrophobicContact CE2-CD1 3.98Å; F19-L51 HydrophobicContact CG-CD1 4.1Å; F19-L51 HydrophobicContact CZ-CB 4.27Å; F19-L51 HydrophobicContact CZ-CD1 4.4Å; F19-K54 HydrophobicContact CD2-CB 4.08Å; F19-K54 HydrophobicContact CD2-CD 3.4Å; F19-K54 HydrophobicContact CD2-CG 4.36Å; F19-K54 HydrophobicContact CE2-CB 4.38Å; F19-K54 HydrophobicContact CE2-CD 3.62Å; F19-K54 HydrophobicContact CE2-CG 4.5Å; F19-K54 HydrophobicContact CG-CD 4.42Å; F19-K54 PolarHBondContact O-NZ 2.97Å; F19-K54 VanDerWaalsContact O-NZ 3.12Å
20	L	80.2	Confident	75.8	Confident	14 Å²	14	60.9 Å²	60.9	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-83.7	-27.7	-177.7	-71.5	172.6	0	0	0	113.4	Y16 V17 A18 Y29 L44 L80	Y16-L20 WeakPolarHBondContact O-CB 3.4Å; Y16-L20 WeakPolarHBondContact O-CG 3.39Å; Y16-L20 PolarHBondContact O-N 2.98Å; Y16-L20 VanDerWaalsContact O-N 3.12Å; V17-L20 PolarHBondContact O-N 3.3Å; A18-L20 VanDerWaalsContact C-N 3.27Å; A18-L20 PolarHBondContact O-N 3.01Å; L20-Y29 HydrophobicContact CD2-CD1 4.21Å; L20-Y29 HydrophobicContact CD2-CG 4.4Å; L20-L44 HydrophobicContact CD2-CD2 3.84Å; L20-L80 HydrophobicContact CB-CD1 3.37Å; L20-L80 HydrophobicContact CD1-CD1 3.7Å; L20-L80 HydrophobicContact CG-CD1 4.17Å
21	D	74.5	Confident	75.7	Confident	84 Å²	84	62.3 Å²	62.3	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-85.4	-24.3	178.4	-164.6	38.5	0	0	0	112.9	V17 A18 P23 M30 L80	V17-D21 WeakPolarHBondContact O-CB 3.41Å; V17-D21 PolarHBondContact O-N 3.47Å; A18-D21 PolarHBondContact O-N 3.43Å; D21-P23 VanDerWaalsContact O-CD 3.27Å; D21-P23 WeakPolarHBondContact O-CD 3.46Å; D21-P23 VanDerWaalsContact O-N 3.1Å; D21-M30 WeakPolarHBondContact OD1-CE 3.49Å; D21-L80 HydrophobicContact CB-CD2 4.39Å
22	D	69.6	Low	75.4	Confident	65 Å²	65	61.5 Å²	61.5	35%	0.348	32%	0.321	S	S	.	.			trans	-48	109.6	-178.8	-94.6	-29.8	0	0	0	113.9	A18 T24 K54	A18-D22 WeakPolarHBondContact O-CB 3.32Å; A18-D22 VanDerWaalsContact O-CG 3.26Å; A18-D22 PolarHBondContact O-N 2.88Å; D22-T24 PolarHBondContact O-N 3.28Å; D22-K54 VanDerWaalsContact CB-NZ 3.26Å; D22-K54 WeakPolarHBondContact OD2-CD 3.1Å; D22-K54 WeakPolarHBondContact OD2-CE 3.41Å; D22-K54 IonicContact OD2-NZ 3.98Å
23	P	61.8	Low	75.3	Confident	104 Å²	104	61 Å²	61	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.8	-177.8	31.5	-36.2	0	0	0	113.5	D21 E25	D21-P23 VanDerWaalsContact O-CD 3.27Å; D21-P23 WeakPolarHBondContact O-CD 3.46Å; D21-P23 VanDerWaalsContact O-N 3.1Å; P23-E25 VanDerWaalsContact C-N 3.32Å; P23-E25 PolarHBondContact O-N 3.02Å
24	T	59	Low	75.1	Confident	111 Å²	111	64.6 Å²	64.6	68%	0.681	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.2	-175.1	40	0	0	0	0	114.2	D22 N26	D22-T24 PolarHBondContact O-N 3.28Å; T24-N26 PolarHBondContact O-N 3.06Å
25	E	56.6	Low	74.9	Confident	41 Å²	41	61 Å²	61	19%	0.192	33%	0.327	C	S	.	.	S	Bend	trans	-101.3	59.8	175.6	-70.5	-177.4	147.3	0	0	111.4	P23 G27 Q28 K54	P23-E25 VanDerWaalsContact C-N 3.32Å; P23-E25 PolarHBondContact O-N 3.02Å; E25-G27 PolarHBondContact O-N 2.81Å; E25-Q28 PolarHBondContact O-N 3.18Å; E25-K54 WeakPolarHBondContact OE2-CE 3.4Å; E25-K54 IonicContact OE2-NZ 3.37Å; E25-K54 PolarHBondContact OE2-NZ 2.98Å
26	N	52.5	Low	74.8	Confident	129 Å²	129	57.8 Å²	57.8	69%	0.69	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	17.7	169.1	-68.4	-24.9	0	0	0	116.4	T24 Q28	T24-N26 PolarHBondContact O-N 3.06Å; N26-Q28 HydrophobicContact CB-CG 4.1Å; N26-Q28 PolarHBondContact O-N 2.95Å; N26-Q28 VanDerWaalsContact O-N 3.15Å
27	G	64.3	Low	74.7	Confident	23 Å²	23	59 Å²	59	24%	0.237	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	17.3	-175.9	0	0	0	0	0	114.4	E25 Y29 M30 Q31	E25-G27 PolarHBondContact O-N 2.81Å; G27-Y29 VanDerWaalsContact C-N 3.27Å; G27-Y29 PolarHBondContact O-N 3.4Å; G27-M30 PolarHBondContact O-N 3.16Å; G27-M30 VanDerWaalsContact O-N 3.13Å; G27-Q31 PolarHBondContact O-N 3.03Å
28	Q	75.7	Confident	74.6	Confident	79 Å²	79	65.8 Å²	65.8	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-37.7	-174.3	-65.9	-173.1	12.7	0	0	112.2	E25 N26 Q31 R32	E25-Q28 PolarHBondContact O-N 3.18Å; N26-Q28 HydrophobicContact CB-CG 4.1Å; N26-Q28 PolarHBondContact O-N 2.95Å; N26-Q28 VanDerWaalsContact O-N 3.15Å; Q28-Q31 PolarHBondContact O-N 3.11Å; Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.28Å; Q28-R32 WeakPolarHBondContact O-CG 3.44Å; Q28-R32 PolarHBondContact O-N 3.4Å
29	Y	76	Confident	74.5	Confident	8 Å²	8	67.7 Å²	67.7	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-68.8	-39.6	177	-72	-70.1	0	0	0	112.2	F19 L20 G27 R32 I33 V46 N47 D50	F19-Y29 HydrophobicContact CE1-CE1 4.47Å; F19-Y29 HydrophobicContact CE1-CE2 4.23Å; F19-Y29 AromaticContact CZ-CE2 3.98Å; F19-Y29 HydrophobicContact CZ-CE2 3.98Å; L20-Y29 HydrophobicContact CD2-CD1 4.21Å; L20-Y29 HydrophobicContact CD2-CG 4.4Å; G27-Y29 VanDerWaalsContact C-N 3.27Å; G27-Y29 PolarHBondContact O-N 3.4Å; Y29-R32 PolarHBondContact O-N 3.12Å; Y29-I33 WeakPolarHBondContact O-CB 3.43Å; Y29-I33 WeakPolarHBondContact O-CG1 3.08Å; Y29-I33 PolarHBondContact O-N 3.02Å; Y29-V46 HydrophobicContact CE1-CB 4.45Å; Y29-V46 HydrophobicContact CE1-CG1 4.3Å; Y29-V46 HydrophobicContact CE1-CG2 4.27Å; Y29-N47 PolarHBondContact OH-N 3.21Å; Y29-D50 HydrophobicContact CE2-CB 4.32Å; Y29-D50 PolarHBondContact OH-OD2 3Å
30	M	76.7	Confident	74.3	Confident	61 Å²	61	69 Å²	69	30%	0.3	38%	0.376	S	S	.	.	H	α-helix	trans	-63.6	-43.4	171.8	-69.1	-169.8	177.1	0	0	111.7	D21 G27 I33 F34	D21-M30 WeakPolarHBondContact OD1-CE 3.49Å; G27-M30 PolarHBondContact O-N 3.16Å; G27-M30 VanDerWaalsContact O-N 3.13Å; M30-I33 WeakPolarHBondContact O-CB 3.34Å; M30-I33 PolarHBondContact O-N 3.12Å; M30-I33 VanDerWaalsContact O-N 3.13Å; M30-F34 HydrophobicContact CB-CE2 4.36Å; M30-F34 WeakPolarHBondContact O-CD2 3.5Å; M30-F34 PolarHBondContact O-N 2.69Å
31	Q	81.3	Confident	74.2	Confident	119 Å²	119	69.3 Å²	69.3	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-59.9	-48.2	174.2	-71.4	176.1	-0.3	0	0	111.8	G27 Q28 I33 F34 D35	G27-Q31 PolarHBondContact O-N 3.03Å; Q28-Q31 PolarHBondContact O-N 3.11Å; Q31-I33 PolarHBondContact O-N 3.29Å; Q31-F34 PolarHBondContact O-N 3.08Å; Q31-F34 VanDerWaalsContact O-N 3.09Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 3.42Å
32	R	80.5	Confident	74.5	Confident	64 Å²	64	68 Å²	68	24%	0.242	37%	0.373	C	S	.	.	H	α-helix	trans	-59	-31.6	173.9	-72	177.3	-169.9	-162.3	5.9	112.6	Q28 Y29 M36 L44 I45 N47	Q28-R32 WeakPolarHBondContact O-CB 3.33Å; Q28-R32 VanDerWaalsContact O-CG 3.28Å; Q28-R32 WeakPolarHBondContact O-CG 3.44Å; Q28-R32 PolarHBondContact O-N 3.4Å; Y29-R32 PolarHBondContact O-N 3.12Å; R32-M36 WeakPolarHBondContact O-CB 3.25Å; R32-M36 PolarHBondContact O-N 2.79Å; R32-L44 HydrophobicContact CB-CD1 3.79Å; R32-I45 PolarHBondContact NH1-O 3.02Å; R32-N47 PolarHBondContact NH1-OD1 2.66Å; R32-N47 PolarHBondContact NH2-ND2 3.49Å; R32-N47 VanDerWaalsContact NH2-ND2 3.17Å
33	I	81.9	Confident	75.3	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-73	-41.7	174.5	-71.1	166.9	0	0	0	111.1	Y29 M30 Q31 M36 V37 L44 L77 L81	Y29-I33 WeakPolarHBondContact O-CB 3.43Å; Y29-I33 WeakPolarHBondContact O-CG1 3.08Å; Y29-I33 PolarHBondContact O-N 3.02Å; M30-I33 WeakPolarHBondContact O-CB 3.34Å; M30-I33 PolarHBondContact O-N 3.12Å; M30-I33 VanDerWaalsContact O-N 3.13Å; Q31-I33 PolarHBondContact O-N 3.29Å; I33-M36 WeakPolarHBondContact O-CB 3.4Å; I33-M36 PolarHBondContact O-N 3.25Å; I33-V37 WeakPolarHBondContact O-CG2 3.21Å; I33-V37 PolarHBondContact O-N 2.7Å; I33-L44 HydrophobicContact CD1-CD2 4.29Å; I33-L44 HydrophobicContact CG1-CD1 3.93Å; I33-L44 HydrophobicContact CG1-CD2 4.05Å; I33-L77 HydrophobicContact CD1-CD1 4.26Å; I33-L77 HydrophobicContact CG1-CD1 4.44Å; I33-L81 HydrophobicContact CG2-CD2 3.73Å
34	F	80.7	Confident	76.6	Confident	102 Å²	102	61.5 Å²	61.5	45%	0.447	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-48.6	172.2	-72.4	-65.2	0	0	0	111.3	M30 Q31 M36 V37 E38 H85	M30-F34 HydrophobicContact CB-CE2 4.36Å; M30-F34 WeakPolarHBondContact O-CD2 3.5Å; M30-F34 PolarHBondContact O-N 2.69Å; Q31-F34 PolarHBondContact O-N 3.08Å; Q31-F34 VanDerWaalsContact O-N 3.09Å; F34-M36 PolarHBondContact O-N 3.33Å; F34-V37 PolarHBondContact O-N 3.09Å; F34-E38 PolarHBondContact O-N 2.78Å; F34-H85 AromaticContact CD1-NE2 3.75Å; F34-H85 AromaticContact CE1-NE2 3.4Å; F34-H85 WeakPolarHBondContact CE1-NE2 3.24Å
35	D	83.1	Confident	77.9	Confident	98 Å²	98	59.1 Å²	59.1	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-38	174.8	-65.6	-16.9	0	0	0	111.8	Q31 S39	Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 3.42Å; D35-S39 VanDerWaalsContact O-CB 3.25Å; D35-S39 WeakPolarHBondContact O-CB 2.96Å; D35-S39 PolarHBondContact O-N 3.44Å; D35-S39 PolarHBondContact O-OG 3.14Å
36	M	81.4	Confident	79.4	Confident	9 Å²	9	57.6 Å²	57.6	4%	0.044	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-40.9	175.5	-179.1	-179.1	71.5	0	0	111.9	R32 I33 F34 S39 G40 G41 R43 L44 L77 L81	R32-M36 WeakPolarHBondContact O-CB 3.25Å; R32-M36 PolarHBondContact O-N 2.79Å; I33-M36 WeakPolarHBondContact O-CB 3.4Å; I33-M36 PolarHBondContact O-N 3.25Å; F34-M36 PolarHBondContact O-N 3.33Å; M36-S39 WeakPolarHBondContact CA-OG 3.11Å; M36-S39 PolarHBondContact O-OG 2.98Å; M36-G40 CarbonylContact O-C 3.48Å; M36-G40 PolarHBondContact O-N 3.09Å; M36-G40 VanDerWaalsContact O-N 3.08Å; M36-G41 WeakPolarHBondContact CG-O 3.34Å; M36-G41 PolarHBondContact O-N 2.9Å; M36-R43 VanDerWaalsContact SD-C 3.53Å; M36-L44 HydrophobicContact SD-CB 4.02Å; M36-L77 HydrophobicContact CE-CD1 4.49Å; M36-L81 HydrophobicContact CE-CD1 3.88Å; M36-L81 HydrophobicContact CE-CD2 3.86Å; M36-L81 HydrophobicContact CE-CG 4.39Å
37	V	82.3	Confident	81	Confident	35 Å²	35	51.8 Å²	51.8	21%	0.212	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-42.7	176.5	172.7	0	0	0	0	111.2	I33 F34 S39 G40 L81 F88	I33-V37 WeakPolarHBondContact O-CG2 3.21Å; I33-V37 PolarHBondContact O-N 2.7Å; F34-V37 PolarHBondContact O-N 3.09Å; V37-S39 PolarHBondContact O-N 3.49Å; V37-G40 PolarHBondContact O-N 3.3Å; V37-L81 HydrophobicContact CG2-CD2 4.21Å; V37-F88 HydrophobicContact CG1-CD2 4.41Å; V37-F88 HydrophobicContact CG2-CD1 4.14Å; V37-F88 HydrophobicContact CG2-CE1 4.33Å; V37-F88 HydrophobicContact CG2-CG 4.45Å
38	E	83.4	Confident	82	Confident	173 Å²	173	50.7 Å²	50.7	81%	0.808	26%	0.264	S	S	*	.	H	α-helix	trans	-63.9	-39.3	176	-71.9	-165.8	174.7	0	0	112.6	F34 G40	F34-E38 PolarHBondContact O-N 2.78Å; E38-G40 VanDerWaalsContact C-N 3.3Å; E38-G40 PolarHBondContact O-N 2.91Å
39	S	80.5	Confident	82.4	Confident	93 Å²	93	48.1 Å²	48.1	65%	0.65	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.1	177	60.2	0	0	0	0	114.3	D35 M36 V37 G41	D35-S39 VanDerWaalsContact O-CB 3.25Å; D35-S39 WeakPolarHBondContact O-CB 2.96Å; D35-S39 PolarHBondContact O-N 3.44Å; D35-S39 PolarHBondContact O-OG 3.14Å; M36-S39 WeakPolarHBondContact CA-OG 3.11Å; M36-S39 PolarHBondContact O-OG 2.98Å; V37-S39 PolarHBondContact O-N 3.49Å; S39-G41 PolarHBondContact O-N 3.43Å
40	G	78	Confident	82.7	Confident	31 Å²	31	48.4 Å²	48.4	32%	0.32	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	21.2	-173.1	0	0	0	0	0	113.7	M36 V37 E38	M36-G40 CarbonylContact O-C 3.48Å; M36-G40 PolarHBondContact O-N 3.09Å; M36-G40 VanDerWaalsContact O-N 3.08Å; V37-G40 PolarHBondContact O-N 3.3Å; E38-G40 VanDerWaalsContact C-N 3.3Å; E38-G40 PolarHBondContact O-N 2.91Å
41	G	78.1	Confident	83.1	Confident	20 Å²	20	45.6 Å²	45.6	21%	0.206	24%	0.241	C	C	.	.			trans	-68.2	139	-178.1	0	0	0	0	0	112.7	M36 S39	M36-G41 WeakPolarHBondContact CG-O 3.34Å; M36-G41 PolarHBondContact O-N 2.9Å; S39-G41 PolarHBondContact O-N 3.43Å
42	Q	81.9	Confident	83.2	Confident	57 Å²	57	44.2 Å²	44.2	27%	0.266	23%	0.231	S	C	.	.	S	Bend	trans	-91.4	0.7	176.3	-66.2	176.9	1.4	0	0	113.5	Y92 S96	Q42-Y92 HydrophobicContact CG-CD1 4.15Å; Q42-Y92 HydrophobicContact CG-CE1 4.26Å; Q42-Y92 HydrophobicContact CG-CG 4.36Å; Q42-Y92 VanDerWaalsContact NE2-CD1 3.33Å; Q42-S96 PolarHBondContact O-N 3.08Å
43	R	86.3	Confident	83.4	Confident	28 Å²	28	49.6 Å²	49.6	11%	0.106	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.8	-168.1	-169	-156.3	-39.5	-84.5	-17.8	112.6	M36 S96 D221 L222 N260	M36-R43 VanDerWaalsContact SD-C 3.53Å; R43-S96 VanDerWaalsContact CA-O 3.26Å; R43-S96 WeakPolarHBondContact CA-O 3.49Å; R43-D221 IonicContact CZ-OD2 3.8Å; R43-D221 IonicContact NE-OD2 3.99Å; R43-D221 PolarHBondContact NE-OD2 2.87Å; R43-D221 IonicContact NH2-OD2 2.82Å; R43-D221 PolarHBondContact NH2-OD2 2.69Å; R43-L222 VanDerWaalsContact CZ-CD2 3.43Å; R43-L222 VanDerWaalsContact NH1-CG 3.29Å; R43-N260 PolarHBondContact NH1-O 2.85Å
44	L	88.1	Confident	83.3	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.9	168.9	-174.4	63.6	0	0	0	110.1	L20 R32 I33 M36 V46 L77 S96 G98	L20-L44 HydrophobicContact CD2-CD2 3.84Å; R32-L44 HydrophobicContact CB-CD1 3.79Å; I33-L44 HydrophobicContact CD1-CD2 4.29Å; I33-L44 HydrophobicContact CG1-CD1 3.93Å; I33-L44 HydrophobicContact CG1-CD2 4.05Å; M36-L44 HydrophobicContact SD-CB 4.02Å; L44-V46 HydrophobicContact CD2-CG2 4.03Å; L44-V46 HydrophobicContact CG-CG2 4.12Å; L44-L77 HydrophobicContact CB-CD1 4.44Å; L44-L77 HydrophobicContact CB-CD2 3.74Å; L44-L77 HydrophobicContact CD2-CD1 3.79Å; L44-L77 HydrophobicContact CD2-CD2 4.41Å; L44-S96 PolarHBondContact N-O 2.97Å; L44-G98 PolarHBondContact O-N 3.26Å
45	I	87.3	Confident	83.4	Confident	61 Å²	61	49.2 Å²	49.2	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.1	172.3	-59	176.4	0	0	0	109.1	R32 G98 E100	R32-I45 PolarHBondContact NH1-O 3.02Å; I45-G98 WeakPolarHBondContact CA-O 3.49Å; I45-E100 HydrophobicContact CG2-CB 3.82Å
46	V	86.7	Confident	83.5	Confident	9 Å²	9	48.4 Å²	48.4	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130	-178.7	176.6	0	0	0	0	111	F19 Y29 L44 V97 G98 F99 E100	F19-V46 HydrophobicContact CE1-CG1 3.88Å; F19-V46 HydrophobicContact CZ-CG1 4.31Å; Y29-V46 HydrophobicContact CE1-CB 4.45Å; Y29-V46 HydrophobicContact CE1-CG1 4.3Å; Y29-V46 HydrophobicContact CE1-CG2 4.27Å; L44-V46 HydrophobicContact CD2-CG2 4.03Å; L44-V46 HydrophobicContact CG-CG2 4.12Å; V46-V97 HydrophobicContact CB-CG1 4.11Å; V46-V97 HydrophobicContact CG2-CG1 3.64Å; V46-G98 PolarHBondContact N-O 3.38Å; V46-F99 HydrophobicContact CB-CD1 4.24Å; V46-F99 HydrophobicContact CB-CE1 4.24Å; V46-F99 HydrophobicContact CG1-CD1 4.45Å; V46-F99 HydrophobicContact CG1-CE1 4.34Å; V46-F99 WeakPolarHBondContact O-CA 3.46Å; V46-E100 PolarHBondContact O-N 3.08Å
47	N	86.1	Confident	83.7	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.5	-179.7	-68	-2.7	0	0	0	110.1	Y29 R32 N49 D50 L51 E100 E526	Y29-N47 PolarHBondContact OH-N 3.21Å; R32-N47 PolarHBondContact NH1-OD1 2.66Å; R32-N47 PolarHBondContact NH2-ND2 3.49Å; R32-N47 VanDerWaalsContact NH2-ND2 3.17Å; N47-N49 PolarHBondContact O-N 3.23Å; N47-N49 VanDerWaalsContact O-N 3.16Å; N47-D50 PolarHBondContact O-N 3.18Å; N47-D50 VanDerWaalsContact O-N 3.13Å; N47-L51 PolarHBondContact O-N 2.61Å; N47-E100 CarbonylContact C-O 3.6Å; N47-E100 WeakPolarHBondContact CA-O 3.12Å; N47-E526 PolarHBondContact ND2-OE1 2.93Å; N47-E526 PolarHBondContact ND2-OE2 3.24Å
48	I	85.4	Confident	83.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-25.9	178	-65.6	169.5	0	0	0	111.3	D50 L51 R52 L63 F99 E100 F103 L121	I48-D50 VanDerWaalsContact C-N 3.33Å; I48-D50 PolarHBondContact O-N 2.93Å; I48-L51 PolarHBondContact O-N 2.97Å; I48-R52 HydrophobicContact CG2-CG 4.41Å; I48-R52 WeakPolarHBondContact O-CG 3.24Å; I48-R52 PolarHBondContact O-N 2.68Å; I48-L63 HydrophobicContact CD1-CD2 4.39Å; I48-F99 HydrophobicContact CD1-CB 3.99Å; I48-F99 HydrophobicContact CG1-CB 4.17Å; I48-F99 HydrophobicContact CG1-CD1 4.16Å; I48-E100 WeakPolarHBondContact CG1-O 3.38Å; I48-E100 PolarHBondContact N-O 3.34Å; I48-F103 HydrophobicContact CD1-CD1 4.07Å; I48-F103 HydrophobicContact CD1-CE1 3.26Å; I48-F103 HydrophobicContact CD1-CE2 4.29Å; I48-F103 HydrophobicContact CD1-CZ 3.39Å; I48-L121 HydrophobicContact CD1-CD2 4.16Å
49	N	84.3	Confident	83.7	Confident	25 Å²	25	46.6 Å²	46.6	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-42.4	176.4	-64.2	-25	0	0	0	111.7	N47 R52 R53 S102 E526	N47-N49 PolarHBondContact O-N 3.23Å; N47-N49 VanDerWaalsContact O-N 3.16Å; N49-R52 WeakPolarHBondContact O-CB 3.35Å; N49-R52 PolarHBondContact O-N 3.19Å; N49-R53 PolarHBondContact O-N 3.24Å; N49-S102 WeakPolarHBondContact OD1-CB 3.49Å; N49-S102 PolarHBondContact OD1-N 2.92Å; N49-E526 PolarHBondContact ND2-OE2 2.78Å
50	D	83.8	Confident	84	Confident	15 Å²	15	46 Å²	46	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-75.5	-39	179.8	-53.7	-31.7	0	0	0	110.6	F19 Y29 N47 I48 R52 R53 K54	F19-D50 HydrophobicContact CE2-CB 4.32Å; F19-D50 HydrophobicContact CZ-CB 4.15Å; Y29-D50 HydrophobicContact CE2-CB 4.32Å; Y29-D50 PolarHBondContact OH-OD2 3Å; N47-D50 PolarHBondContact O-N 3.18Å; N47-D50 VanDerWaalsContact O-N 3.13Å; I48-D50 VanDerWaalsContact C-N 3.33Å; I48-D50 PolarHBondContact O-N 2.93Å; D50-R52 PolarHBondContact O-N 3.26Å; D50-R53 WeakPolarHBondContact O-CB 3.37Å; D50-R53 PolarHBondContact O-N 2.71Å; D50-R53 IonicContact OD1-NH1 3.4Å; D50-R53 PolarHBondContact OD1-NH1 3.5Å; D50-K54 PolarHBondContact O-N 2.77Å
51	L	83.1	Confident	84.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-37.4	172.1	-170.5	66.8	0	0	0	111.7	Y16 F19 N47 I48 N55 A59 L62	Y16-L51 HydrophobicContact CE1-CD1 4.1Å; Y16-L51 HydrophobicContact CE1-CD2 4.31Å; F19-L51 HydrophobicContact CD1-CD1 4.49Å; F19-L51 HydrophobicContact CD2-CD1 3.8Å; F19-L51 HydrophobicContact CE2-CB 4.12Å; F19-L51 HydrophobicContact CE2-CD1 3.98Å; F19-L51 HydrophobicContact CG-CD1 4.1Å; F19-L51 HydrophobicContact CZ-CB 4.27Å; F19-L51 HydrophobicContact CZ-CD1 4.4Å; N47-L51 PolarHBondContact O-N 2.61Å; I48-L51 PolarHBondContact O-N 2.97Å; L51-N55 CarbonylContact O-C 3.53Å; L51-N55 WeakPolarHBondContact O-CA 3.09Å; L51-N55 PolarHBondContact O-N 2.78Å; L51-N55 VanDerWaalsContact O-O 3.09Å; L51-A59 HydrophobicContact CD2-CB 4.26Å; L51-A59 HydrophobicContact CG-CB 4.12Å; L51-L62 HydrophobicContact CD2-CD1 3.93Å
52	R	85	Confident	84.9	Confident	89 Å²	89	46.3 Å²	46.3	34%	0.336	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-33.9	173	-77.5	-179.5	-177.1	148.1	9.8	113.7	I48 N49 D50 A59 S102	I48-R52 HydrophobicContact CG2-CG 4.41Å; I48-R52 WeakPolarHBondContact O-CG 3.24Å; I48-R52 PolarHBondContact O-N 2.68Å; N49-R52 WeakPolarHBondContact O-CB 3.35Å; N49-R52 PolarHBondContact O-N 3.19Å; D50-R52 PolarHBondContact O-N 3.26Å; R52-A59 HydrophobicContact CB-CB 4.28Å; R52-A59 HydrophobicContact CG-CB 3.47Å; R52-A59 VanDerWaalsContact CG-CB 3.47Å; R52-S102 PolarHBondContact NH1-O 3.06Å; R52-S102 PolarHBondContact NH2-O 2.99Å
53	R	84.3	Confident	85.2	Confident	177 Å²	177	44.1 Å²	44.1	67%	0.668	21%	0.212	S	C	*	.	H	α-helix	trans	-69	-46.9	177.9	-73	175.5	178.6	148.7	-5.7	111.4	N49 D50	N49-R53 PolarHBondContact O-N 3.24Å; D50-R53 WeakPolarHBondContact O-CB 3.37Å; D50-R53 PolarHBondContact O-N 2.71Å; D50-R53 IonicContact OD1-NH1 3.4Å; D50-R53 PolarHBondContact OD1-NH1 3.5Å
54	K	80	Confident	85.2	Confident	44 Å²	44	46 Å²	46	19%	0.191	23%	0.226	C	C	.	.	H	α-helix	trans	-76.4	-53.4	-179.5	-76.5	172.1	167.8	160.7	0	112.6	F19 D22 E25 D50	F19-K54 HydrophobicContact CD2-CB 4.08Å; F19-K54 HydrophobicContact CD2-CD 3.4Å; F19-K54 HydrophobicContact CD2-CG 4.36Å; F19-K54 HydrophobicContact CE2-CB 4.38Å; F19-K54 HydrophobicContact CE2-CD 3.62Å; F19-K54 HydrophobicContact CE2-CG 4.5Å; F19-K54 HydrophobicContact CG-CD 4.42Å; F19-K54 PolarHBondContact O-NZ 2.97Å; F19-K54 VanDerWaalsContact O-NZ 3.12Å; D22-K54 VanDerWaalsContact CB-NZ 3.26Å; D22-K54 WeakPolarHBondContact OD2-CD 3.1Å; D22-K54 WeakPolarHBondContact OD2-CE 3.41Å; D22-K54 IonicContact OD2-NZ 3.98Å; E25-K54 WeakPolarHBondContact OE2-CE 3.4Å; E25-K54 IonicContact OE2-NZ 3.37Å; E25-K54 PolarHBondContact OE2-NZ 2.98Å; D50-K54 PolarHBondContact O-N 2.77Å
55	N	83.1	Confident	85.1	Confident	57 Å²	57	49.8 Å²	49.8	31%	0.305	25%	0.246	S	C	.	.			trans	-136.1	81	-171.7	-76.6	-39.4	0	0	0	111.4	L51 E57 R58 A59	L51-N55 CarbonylContact O-C 3.53Å; L51-N55 WeakPolarHBondContact O-CA 3.09Å; L51-N55 PolarHBondContact O-N 2.78Å; L51-N55 VanDerWaalsContact O-O 3.09Å; N55-E57 VanDerWaalsContact C-N 3.26Å; N55-E57 PolarHBondContact O-N 2.92Å; N55-R58 HydrophobicContact CB-CB 4.08Å; N55-R58 HydrophobicContact CB-CG 4.23Å; N55-R58 PolarHBondContact O-N 2.71Å; N55-A59 PolarHBondContact O-N 3.45Å; N55-A59 VanDerWaalsContact O-N 3.07Å
56	P	84.6	Confident	85	Confident	81 Å²	81	46.9 Å²	46.9	53%	0.526	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-35.5	-177.3	22.8	-33.7	0	0	0	113.1	A59 T60	P56-A59 PolarHBondContact O-N 2.98Å; P56-T60 PolarHBondContact O-N 3.06Å; P56-T60 PolarHBondContact O-OG1 3.07Å
57	E	86	Confident	84.8	Confident	137 Å²	137	48.4 Å²	48.4	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-61.5	-47.7	176.7	-63.2	-172.9	174.4	0	0	112.6	N55 A59 T60 N61	N55-E57 VanDerWaalsContact C-N 3.26Å; N55-E57 PolarHBondContact O-N 2.92Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 2.71Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 3.26Å; E57-T60 PolarHBondContact O-OG1 3.43Å; E57-N61 PolarHBondContact O-N 3.04Å
58	R	82	Confident	84.8	Confident	41 Å²	41	53.5 Å²	53.5	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-40.2	176.9	-70.9	-54.2	104	-175.6	16.2	110.9	N55 T60 N61 L62 E69	N55-R58 HydrophobicContact CB-CB 4.08Å; N55-R58 HydrophobicContact CB-CG 4.23Å; N55-R58 PolarHBondContact O-N 2.71Å; R58-T60 VanDerWaalsContact C-N 3.32Å; R58-T60 PolarHBondContact O-N 3.42Å; R58-N61 VanDerWaalsContact CZ-ND2 3.29Å; R58-N61 PolarHBondContact NH1-ND2 3.38Å; R58-N61 PolarHBondContact NH2-ND2 3.45Å; R58-N61 PolarHBondContact O-N 3.48Å; R58-L62 VanDerWaalsContact O-CB 3.24Å; R58-L62 WeakPolarHBondContact O-CB 3.49Å; R58-L62 PolarHBondContact O-N 2.8Å; R58-E69 IonicContact CZ-OE1 2.91Å; R58-E69 IonicContact NH1-OE1 2.74Å; R58-E69 PolarHBondContact NH1-OE1 3.41Å
59	A	83.3	Confident	84.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-38.8	174	0	0	0	0	0	112.5	L51 R52 N55 P56 E57 L63	L51-A59 HydrophobicContact CD2-CB 4.26Å; L51-A59 HydrophobicContact CG-CB 4.12Å; R52-A59 HydrophobicContact CB-CB 4.28Å; R52-A59 HydrophobicContact CG-CB 3.47Å; R52-A59 VanDerWaalsContact CG-CB 3.47Å; N55-A59 PolarHBondContact O-N 3.45Å; N55-A59 VanDerWaalsContact O-N 3.07Å; P56-A59 PolarHBondContact O-N 2.98Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 2.71Å; A59-L63 WeakPolarHBondContact O-CD1 3.49Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.4Å
60	T	86.1	Confident	85	Confident	81 Å²	81	52.7 Å²	52.7	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-40.4	173.7	49.5	0	0	0	0	112.8	P56 E57 R58 L63 V64	P56-T60 PolarHBondContact O-N 3.06Å; P56-T60 PolarHBondContact O-OG1 3.07Å; E57-T60 WeakPolarHBondContact CA-OG1 3.48Å; E57-T60 PolarHBondContact O-N 3.26Å; E57-T60 PolarHBondContact O-OG1 3.43Å; R58-T60 VanDerWaalsContact C-N 3.32Å; R58-T60 PolarHBondContact O-N 3.42Å; T60-L63 PolarHBondContact O-N 3.12Å; T60-V64 WeakPolarHBondContact O-CG2 3.42Å; T60-V64 PolarHBondContact O-N 2.76Å
61	N	87.8	Confident	85.1	Confident	58 Å²	58	52.7 Å²	52.7	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-70.2	-40.5	-179.9	-71.5	-12.5	0	0	0	112.4	E57 R58 L63 V64 N65	E57-N61 PolarHBondContact O-N 3.04Å; R58-N61 VanDerWaalsContact CZ-ND2 3.29Å; R58-N61 PolarHBondContact NH1-ND2 3.38Å; R58-N61 PolarHBondContact NH2-ND2 3.45Å; R58-N61 PolarHBondContact O-N 3.48Å; N61-L63 PolarHBondContact O-N 2.7Å; N61-V64 PolarHBondContact O-N 3.19Å; N61-V64 VanDerWaalsContact O-N 3.11Å; N61-N65 PolarHBondContact O-N 3.47Å
62	L	88.1	Confident	85.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-35.2	173.4	177.9	146.8	0	0	0	112.2	Y16 L51 R58 A66 E69 F99 L121	Y16-L62 HydrophobicContact CE1-CD1 4.5Å; L51-L62 HydrophobicContact CD2-CD1 3.93Å; R58-L62 VanDerWaalsContact O-CB 3.24Å; R58-L62 WeakPolarHBondContact O-CB 3.49Å; R58-L62 PolarHBondContact O-N 2.8Å; L62-A66 WeakPolarHBondContact O-CA 3.35Å; L62-A66 WeakPolarHBondContact O-CB 3.45Å; L62-E69 HydrophobicContact CB-CB 4.25Å; L62-E69 HydrophobicContact CB-CG 4.47Å; L62-E69 HydrophobicContact CG-CB 4.47Å; L62-F99 HydrophobicContact CD1-CD1 4.29Å; L62-F99 HydrophobicContact CD1-CE1 3.58Å; L62-F99 HydrophobicContact CD1-CE2 4.42Å; L62-F99 HydrophobicContact CD1-CZ 3.66Å; L62-F99 HydrophobicContact CD2-CD1 4.47Å; L62-L121 HydrophobicContact CD2-CD2 3.6Å
63	L	87.3	Confident	85.3	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-42.9	173.4	-69.8	170	0	0	0	111.2	I48 A59 T60 N61 F103 R106 N120 L121	I48-L63 HydrophobicContact CD1-CD2 4.39Å; A59-L63 WeakPolarHBondContact O-CD1 3.49Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.4Å; T60-L63 PolarHBondContact O-N 3.12Å; N61-L63 PolarHBondContact O-N 2.7Å; L63-F103 HydrophobicContact CD2-CD1 4.03Å; L63-F103 HydrophobicContact CD2-CE1 4.3Å; L63-R106 VanDerWaalsContact C-NH1 3.32Å; L63-R106 PolarHBondContact O-NH1 3.41Å; L63-N120 WeakPolarHBondContact O-CA 3.36Å; L63-N120 PolarHBondContact O-OD1 3.03Å; L63-N120 VanDerWaalsContact O-OD1 3.14Å; L63-L121 HydrophobicContact CD2-CB 4.37Å; L63-L121 HydrophobicContact CD2-CD2 4.38Å; L63-L121 PolarHBondContact O-N 2.98Å
64	V	87.8	Confident	85.5	Confident	66 Å²	66	40.9 Å²	40.9	40%	0.4	22%	0.217	S	C	.	.	H	α-helix	trans	-75.1	-54.6	-177.3	177.1	0	0	0	0	113.3	T60 N61 N120	T60-V64 WeakPolarHBondContact O-CG2 3.42Å; T60-V64 PolarHBondContact O-N 2.76Å; N61-V64 PolarHBondContact O-N 3.19Å; N61-V64 VanDerWaalsContact O-N 3.11Å; V64-N120 VanDerWaalsContact CA-OD1 3.3Å; V64-N120 WeakPolarHBondContact CA-OD1 3.49Å; V64-N120 PolarHBondContact O-OD1 3.19Å
65	N	86.2	Confident	85.8	Confident	83 Å²	83	44.6 Å²	44.6	44%	0.444	23%	0.23	S	C	.	.			trans	-116.1	57.1	-173.6	-73.5	-17.1	0	0	0	111.3	N61 T67 Q68 E69	N61-N65 PolarHBondContact O-N 3.47Å; N65-T67 PolarHBondContact O-N 3.45Å; N65-T67 VanDerWaalsContact O-N 3.11Å; N65-Q68 PolarHBondContact O-N 3.39Å; N65-E69 PolarHBondContact O-N 3.35Å
66	A	84.9	Confident	86	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-28.2	-176.9	0	0	0	0	0	113.8	L62 Q68 I70 L121 V237	L62-A66 WeakPolarHBondContact O-CA 3.35Å; L62-A66 WeakPolarHBondContact O-CB 3.45Å; A66-Q68 VanDerWaalsContact C-N 3.27Å; A66-Q68 PolarHBondContact O-N 2.88Å; A66-I70 HydrophobicContact CB-CD1 4.07Å; A66-I70 WeakPolarHBondContact O-CB 3.45Å; A66-I70 WeakPolarHBondContact O-CD1 3.4Å; A66-I70 WeakPolarHBondContact O-CG1 3.42Å; A66-I70 PolarHBondContact O-N 3.13Å; A66-I70 VanDerWaalsContact O-N 3.1Å; A66-L121 HydrophobicContact CB-CB 3.89Å; A66-L121 HydrophobicContact CB-CD1 4.5Å; A66-V237 HydrophobicContact CB-CG1 4.27Å; A66-V237 HydrophobicContact CB-CG2 3.52Å
67	T	82.7	Confident	86.1	Confident	42 Å²	42	38 Å²	38	26%	0.258	19%	0.191	S	C	.	.	H	α-helix	trans	-65.7	-24	-177.1	53.1	0	0	0	0	114.6	N65 P71 F162 V237	N65-T67 PolarHBondContact O-N 3.45Å; N65-T67 VanDerWaalsContact O-N 3.11Å; T67-P71 VanDerWaalsContact O-CD 3.29Å; T67-P71 WeakPolarHBondContact O-CD 3.32Å; T67-P71 WeakPolarHBondContact O-CG 3.31Å; T67-F162 HydrophobicContact CG2-CD1 4.18Å; T67-V237 HydrophobicContact CG2-CG1 3.96Å
68	Q	84.7	Confident	86.1	Confident	114 Å²	114	34.9 Å²	34.9	53%	0.533	18%	0.175	S	C	.	.	H	α-helix	trans	-99	-42.7	178.2	-68.9	175.2	-29.2	0	0	111.5	N65 A66 I70 P71 C72	N65-Q68 PolarHBondContact O-N 3.39Å; A66-Q68 VanDerWaalsContact C-N 3.27Å; A66-Q68 PolarHBondContact O-N 2.88Å; Q68-I70 PolarHBondContact O-N 3.33Å; Q68-P71 WeakPolarHBondContact O-CD 3.42Å; Q68-C72 PolarHBondContact O-N 2.91Å
69	E	85.8	Confident	86.3	Confident	7 Å²	7	38.5 Å²	38.5	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-34.7	-177.2	-67.9	-84.3	-179.4	0	0	112.1	I12 Y16 R58 L62 N65 C72 A73	I12-E69 VanDerWaalsContact CG2-OE2 3.22Å; I12-E69 WeakPolarHBondContact CG2-OE2 3.28Å; Y16-E69 WeakPolarHBondContact CE2-OE2 3.17Å; Y16-E69 VanDerWaalsContact CZ-OE2 3.29Å; Y16-E69 PolarHBondContact OH-OE2 3.17Å; R58-E69 IonicContact CZ-OE1 2.91Å; R58-E69 IonicContact NH1-OE1 2.74Å; R58-E69 PolarHBondContact NH1-OE1 3.41Å; L62-E69 HydrophobicContact CB-CB 4.25Å; L62-E69 HydrophobicContact CB-CG 4.47Å; L62-E69 HydrophobicContact CG-CB 4.47Å; N65-E69 PolarHBondContact O-N 3.35Å; E69-C72 PolarHBondContact O-N 2.81Å; E69-A73 PolarHBondContact O-N 3.3Å
70	I	88.3	Confident	86.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-53.6	178.7	-65.4	170.5	0	0	0	112.1	A66 Q68 C72 A73 E74 F99 L121 F162 V237	A66-I70 HydrophobicContact CB-CD1 4.07Å; A66-I70 WeakPolarHBondContact O-CB 3.45Å; A66-I70 WeakPolarHBondContact O-CD1 3.4Å; A66-I70 WeakPolarHBondContact O-CG1 3.42Å; A66-I70 PolarHBondContact O-N 3.13Å; A66-I70 VanDerWaalsContact O-N 3.1Å; Q68-I70 PolarHBondContact O-N 3.33Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.21Å; I70-A73 PolarHBondContact O-N 2.95Å; I70-A73 VanDerWaalsContact O-N 3.14Å; I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 WeakPolarHBondContact O-CG 3.28Å; I70-E74 PolarHBondContact O-N 2.98Å; I70-F99 HydrophobicContact CD1-CE2 4.46Å; I70-F99 HydrophobicContact CG1-CE2 3.92Å; I70-L121 HydrophobicContact CD1-CD1 4.47Å; I70-F162 HydrophobicContact CD1-CE1 4.35Å; I70-F162 HydrophobicContact CD1-CZ 4.08Å; I70-F162 HydrophobicContact CG2-CE2 4.05Å; I70-F162 HydrophobicContact CG2-CZ 4.4Å; I70-V237 HydrophobicContact CD1-CG2 3.58Å
71	P	86.4	Confident	86.1	Confident	16 Å²	16	35.5 Å²	35.5	10%	0.104	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-35	174.8	-28.9	35.7	0	0	0	114.8	T67 Q68 E74 R75 F162	T67-P71 VanDerWaalsContact O-CD 3.29Å; T67-P71 WeakPolarHBondContact O-CD 3.32Å; T67-P71 WeakPolarHBondContact O-CG 3.31Å; Q68-P71 WeakPolarHBondContact O-CD 3.42Å; P71-E74 PolarHBondContact O-N 3.4Å; P71-R75 VanDerWaalsContact O-CG 3.31Å; P71-R75 WeakPolarHBondContact O-CG 3.48Å; P71-R75 PolarHBondContact O-N 3.42Å; P71-R75 VanDerWaalsContact O-N 3.1Å; P71-F162 HydrophobicContact CG-CB 3.85Å; P71-F162 HydrophobicContact CG-CG 4.34Å
72	C	86.7	Confident	86	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-43.2	175.1	-72.4	0	0	0	0	111.9	L9 I12 E13 Q68 E69 I70 E74 R75 A76	L9-C72 VanDerWaalsContact CD2-SG 3.58Å; I12-C72 HydrophobicContact CG2-CB 3.72Å; E13-C72 HydrophobicContact CG-CB 3.7Å; Q68-C72 PolarHBondContact O-N 2.91Å; E69-C72 PolarHBondContact O-N 2.81Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.21Å; C72-E74 VanDerWaalsContact C-N 3.33Å; C72-E74 PolarHBondContact O-N 3.29Å; C72-R75 PolarHBondContact O-N 3.47Å; C72-A76 WeakPolarHBondContact O-CB 3.15Å; C72-A76 PolarHBondContact O-N 3.33Å
73	A	86	Confident	85.7	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-37.8	174.2	0	0	0	0	0	112.5	Y16 E69 I70 R75 A76 L77 V97	Y16-A73 HydrophobicContact CD1-CB 4.37Å; Y16-A73 HydrophobicContact CD2-CB 4.12Å; Y16-A73 HydrophobicContact CE2-CB 4.24Å; Y16-A73 HydrophobicContact CG-CB 4.21Å; E69-A73 PolarHBondContact O-N 3.3Å; I70-A73 PolarHBondContact O-N 2.95Å; I70-A73 VanDerWaalsContact O-N 3.14Å; A73-R75 PolarHBondContact O-N 3.09Å; A73-A76 PolarHBondContact O-N 3.21Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 3.45Å; A73-V97 HydrophobicContact CB-CG2 4.2Å
74	E	87.8	Confident	85.3	Confident	14 Å²	14	42.4 Å²	42.4	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-37.2	174.3	-68.6	176.7	140	0	0	112.7	I70 P71 C72 K78 K94 F95 V97	I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 WeakPolarHBondContact O-CG 3.28Å; I70-E74 PolarHBondContact O-N 2.98Å; P71-E74 PolarHBondContact O-N 3.4Å; C72-E74 VanDerWaalsContact C-N 3.33Å; C72-E74 PolarHBondContact O-N 3.29Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K94 WeakPolarHBondContact OE1-CE 3.48Å; E74-K94 IonicContact OE1-NZ 2.75Å; E74-K94 PolarHBondContact OE1-NZ 3.09Å; E74-K94 WeakPolarHBondContact OE2-CE 3.27Å; E74-K94 IonicContact OE2-NZ 2.76Å; E74-K94 PolarHBondContact OE2-NZ 3.2Å; E74-F95 WeakPolarHBondContact CB-O 3.46Å; E74-F95 WeakPolarHBondContact CG-O 2.91Å; E74-V97 HydrophobicContact CG-CG2 4.4Å
75	R	87	Confident	84.7	Confident	122 Å²	122	42.5 Å²	42.5	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-71.5	-45.5	175.3	-70.2	165.6	-172.3	170.3	5.3	112.1	E13 P71 C72 A73 L77 K78 E79	E13-R75 HydrophobicContact CG-CB 4.49Å; E13-R75 WeakPolarHBondContact OE1-CD 3.26Å; E13-R75 IonicContact OE1-CZ 3.18Å; E13-R75 IonicContact OE1-NE 3.74Å; E13-R75 IonicContact OE1-NH1 3.18Å; E13-R75 PolarHBondContact OE1-NH1 2.92Å; P71-R75 VanDerWaalsContact O-CG 3.31Å; P71-R75 WeakPolarHBondContact O-CG 3.48Å; P71-R75 PolarHBondContact O-N 3.42Å; P71-R75 VanDerWaalsContact O-N 3.1Å; C72-R75 PolarHBondContact O-N 3.47Å; A73-R75 PolarHBondContact O-N 3.09Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 2.94Å; R75-K78 WeakPolarHBondContact O-CA 3.5Å; R75-K78 WeakPolarHBondContact O-CB 3.32Å; R75-K78 PolarHBondContact O-N 2.75Å; R75-E79 PolarHBondContact O-N 3.28Å
76	A	86.5	Confident	84.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-43.1	175.9	0	0	0	0	0	112	V17 C72 A73 K78 E79 L80	V17-A76 HydrophobicContact CG2-CB 3.68Å; C72-A76 WeakPolarHBondContact O-CB 3.15Å; C72-A76 PolarHBondContact O-N 3.33Å; A73-A76 PolarHBondContact O-N 3.21Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 3.02Å; A76-E79 PolarHBondContact O-N 3.38Å; A76-L80 PolarHBondContact O-N 3.49Å; A76-L80 VanDerWaalsContact O-N 3.13Å
77	L	86.3	Confident	83.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-41.5	173.5	179	60	0	0	0	111.9	I33 M36 L44 A73 R75 L80 L81 F95 V97	I33-L77 HydrophobicContact CD1-CD1 4.26Å; I33-L77 HydrophobicContact CG1-CD1 4.44Å; M36-L77 HydrophobicContact CE-CD1 4.49Å; L44-L77 HydrophobicContact CB-CD1 4.44Å; L44-L77 HydrophobicContact CB-CD2 3.74Å; L44-L77 HydrophobicContact CD2-CD1 3.79Å; L44-L77 HydrophobicContact CD2-CD2 4.41Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 3.45Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 2.94Å; L77-L80 PolarHBondContact O-N 3.07Å; L77-L81 HydrophobicContact CD1-CD1 4.11Å; L77-L81 HydrophobicContact CD1-CG 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 3.13Å; L77-F95 HydrophobicContact CD2-CB 3.96Å; L77-F95 HydrophobicContact CG-CB 4.37Å; L77-V97 HydrophobicContact CB-CG2 4.31Å; L77-V97 HydrophobicContact CD2-CG2 3.9Å
78	K	86.7	Confident	83.1	Confident	72 Å²	72	46.1 Å²	46.1	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-39	177.4	-175.2	174.3	-179.2	173.6	0	112.5	E74 R75 A76 T82 E93 F95	E74-K78 PolarHBondContact O-N 3.43Å; R75-K78 WeakPolarHBondContact O-CA 3.5Å; R75-K78 WeakPolarHBondContact O-CB 3.32Å; R75-K78 PolarHBondContact O-N 2.75Å; A76-K78 VanDerWaalsContact C-N 3.34Å; A76-K78 PolarHBondContact O-N 3.02Å; K78-T82 WeakPolarHBondContact O-CB 3.42Å; K78-T82 PolarHBondContact O-N 2.83Å; K78-T82 PolarHBondContact O-OG1 3.4Å; K78-E93 PolarHBondContact NZ-O 3.5Å; K78-F95 HydrophobicContact CB-CD2 4.09Å; K78-F95 HydrophobicContact CG-CD2 4.16Å; K78-F95 HydrophobicContact CG-CE2 4.32Å
79	E	86.5	Confident	82.2	Confident	117 Å²	117	41.7 Å²	41.7	55%	0.547	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-49.2	176.1	-171.6	172.5	-175.2	0	0	110.9	R75 A76 L81 T82 A83	R75-E79 PolarHBondContact O-N 3.28Å; A76-E79 PolarHBondContact O-N 3.38Å; E79-L81 PolarHBondContact O-N 2.68Å; E79-T82 WeakPolarHBondContact O-CB 3.39Å; E79-T82 PolarHBondContact O-N 3.35Å; E79-T82 VanDerWaalsContact O-N 3.15Å; E79-A83 PolarHBondContact O-N 2.68Å; E79-A83 VanDerWaalsContact O-N 3.08Å
80	L	82.1	Confident	81.5	Confident	18 Å²	18	49.6 Å²	49.6	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.8	-76.3	168.3	0	0	0	113.7	V17 L20 D21 A76 L77 T82 A83 N84	V17-L80 HydrophobicContact CG1-CD1 4.39Å; V17-L80 HydrophobicContact CG1-CD2 4.01Å; V17-L80 HydrophobicContact CG1-CG 4.14Å; L20-L80 HydrophobicContact CB-CD1 3.37Å; L20-L80 HydrophobicContact CD1-CD1 3.7Å; L20-L80 HydrophobicContact CG-CD1 4.17Å; D21-L80 HydrophobicContact CB-CD2 4.39Å; A76-L80 PolarHBondContact O-N 3.49Å; A76-L80 VanDerWaalsContact O-N 3.13Å; L77-L80 PolarHBondContact O-N 3.07Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 2.85Å; L80-A83 PolarHBondContact O-N 3.44Å; L80-N84 PolarHBondContact O-N 3.21Å; L80-N84 VanDerWaalsContact O-N 3.07Å
81	L	83.1	Confident	80.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-35.2	174.5	-75	168.9	0	0	0	112	I33 M36 V37 L77 E79 A83 H85 F95	I33-L81 HydrophobicContact CG2-CD2 3.73Å; M36-L81 HydrophobicContact CE-CD1 3.88Å; M36-L81 HydrophobicContact CE-CD2 3.86Å; M36-L81 HydrophobicContact CE-CG 4.39Å; V37-L81 HydrophobicContact CG2-CD2 4.21Å; L77-L81 HydrophobicContact CD1-CD1 4.11Å; L77-L81 HydrophobicContact CD1-CG 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.47Å; L77-L81 WeakPolarHBondContact O-CB 3.48Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 3.13Å; E79-L81 PolarHBondContact O-N 2.68Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-H85 CarbonylContact O-C 3.46Å; L81-H85 PolarHBondContact O-N 3.38Å; L81-F95 HydrophobicContact CB-CE2 4.42Å; L81-F95 HydrophobicContact CD1-CB 4.38Å; L81-F95 HydrophobicContact CD1-CD1 3.75Å; L81-F95 HydrophobicContact CD1-CD2 3.47Å; L81-F95 VanDerWaalsContact CD1-CD2 3.47Å; L81-F95 HydrophobicContact CD1-CE1 3.87Å; L81-F95 HydrophobicContact CD1-CE2 3.58Å; L81-F95 HydrophobicContact CD1-CG 3.57Å; L81-F95 HydrophobicContact CD1-CZ 3.78Å
82	T	84.4	Confident	79.7	Confident	66 Å²	66	59.4 Å²	59.4	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-34	176.6	-54.7	0	0	0	0	111.7	K78 E79 L80	K78-T82 WeakPolarHBondContact O-CB 3.42Å; K78-T82 PolarHBondContact O-N 2.83Å; K78-T82 PolarHBondContact O-OG1 3.4Å; E79-T82 WeakPolarHBondContact O-CB 3.39Å; E79-T82 PolarHBondContact O-N 3.35Å; E79-T82 VanDerWaalsContact O-N 3.15Å; L80-T82 VanDerWaalsContact C-N 3.26Å; L80-T82 PolarHBondContact O-N 2.85Å
83	A	83.4	Confident	78.8	Confident	78 Å²	78	62.5 Å²	62.5	65%	0.645	33%	0.326	S	S	*	.	H	α-helix	trans	-70.5	-42.3	175.3	0	0	0	0	0	112.9	E79 L80 L81	E79-A83 PolarHBondContact O-N 2.68Å; E79-A83 VanDerWaalsContact O-N 3.08Å; L80-A83 PolarHBondContact O-N 3.44Å; L81-A83 VanDerWaalsContact C-N 3.34Å
84	N	78	Confident	78.3	Confident	71 Å²	71	67.6 Å²	67.6	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-85.3	-42.4	-175	-69	-20.1	0	0	0	113.6	L80	L80-N84 PolarHBondContact O-N 3.21Å; L80-N84 VanDerWaalsContact O-N 3.07Å
85	H	75.9	Confident	78.1	Confident	67 Å²	67	67 Å²	67	31%	0.31	34%	0.344	S	S	.	.			trans	-143	79.2	-173.3	-68.9	-56.4	0	0	0	112	F34 L81 S87 F88	F34-H85 AromaticContact CD1-NE2 3.75Å; F34-H85 AromaticContact CE1-NE2 3.4Å; F34-H85 WeakPolarHBondContact CE1-NE2 3.24Å; L81-H85 CarbonylContact O-C 3.46Å; L81-H85 PolarHBondContact O-N 3.38Å; H85-S87 PolarHBondContact O-N 2.83Å; H85-S87 VanDerWaalsContact O-N 3.16Å; H85-F88 HydrophobicContact CB-CB 4.42Å; H85-F88 PolarHBondContact O-N 2.87Å
86	P	76.7	Confident	78	Confident	75 Å²	75	62.3 Å²	62.3	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-34.2	-177.7	22.2	-34	0	0	0	113.2	F88 S89	P86-F88 PolarHBondContact O-N 2.81Å; P86-F88 VanDerWaalsContact O-N 3.14Å; P86-S89 PolarHBondContact O-N 3.24Å; P86-S89 VanDerWaalsContact O-N 3.15Å; P86-S89 PolarHBondContact O-OG 3.27Å
87	S	73.6	Confident	78	Confident	99 Å²	99	62.5 Å²	62.5	69%	0.692	33%	0.331	S	S	*	.	H	α-helix	trans	-61	-24.2	178.8	-47.7	0	0	0	0	114.4	H85	H85-S87 PolarHBondContact O-N 2.83Å; H85-S87 VanDerWaalsContact O-N 3.16Å
88	F	69.1	Low	78.2	Confident	28 Å²	28	62.5 Å²	62.5	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-88.2	-25.6	178.9	-161.4	-109.8	0	0	0	112.4	V37 H85 P86 E90 M91 Y92 F95	V37-F88 HydrophobicContact CG1-CD2 4.41Å; V37-F88 HydrophobicContact CG2-CD1 4.14Å; V37-F88 HydrophobicContact CG2-CE1 4.33Å; V37-F88 HydrophobicContact CG2-CG 4.45Å; H85-F88 HydrophobicContact CB-CB 4.42Å; H85-F88 PolarHBondContact O-N 2.87Å; P86-F88 PolarHBondContact O-N 2.81Å; P86-F88 VanDerWaalsContact O-N 3.14Å; F88-E90 VanDerWaalsContact C-N 3.34Å; F88-M91 PolarHBondContact O-N 3.36Å; F88-Y92 HydrophobicContact CD1-CD2 4.49Å; F88-Y92 HydrophobicContact CD2-CE2 4.47Å; F88-Y92 HydrophobicContact CE1-CD2 4.04Å; F88-Y92 HydrophobicContact CE1-CE2 4.35Å; F88-Y92 HydrophobicContact CE2-CD2 4.12Å; F88-Y92 AromaticContact CE2-CE2 3.74Å; F88-Y92 HydrophobicContact CE2-CE2 3.74Å; F88-Y92 AromaticContact CZ-CD2 3.83Å; F88-Y92 HydrophobicContact CZ-CD2 3.83Å; F88-Y92 AromaticContact CZ-CE2 3.67Å; F88-Y92 HydrophobicContact CZ-CE2 3.67Å; F88-F95 AromaticContact CD1-CE1 3.8Å; F88-F95 HydrophobicContact CD1-CE1 3.8Å; F88-F95 AromaticContact CD1-CZ 3.86Å; F88-F95 HydrophobicContact CD1-CZ 3.86Å; F88-F95 AromaticContact CE1-CE1 3.59Å; F88-F95 HydrophobicContact CE1-CE1 3.59Å; F88-F95 HydrophobicContact CE1-CZ 4.15Å
89	S	66.9	Low	78.2	Confident	21 Å²	21	59.2 Å²	59.2	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-73.9	-23.7	-179.9	73.9	0	0	0	0	113.3	P86	P86-S89 PolarHBondContact O-N 3.24Å; P86-S89 VanDerWaalsContact O-N 3.15Å; P86-S89 PolarHBondContact O-OG 3.27Å
90	E	69.4	Low	78.1	Confident	173 Å²	173	54.9 Å²	54.9	81%	0.808	30%	0.297	S	S	*	.	H	α-helix	trans	-74.7	-33.9	173.8	-64.8	-173.1	166.5	0	0	112.7	F88	F88-E90 VanDerWaalsContact C-N 3.34Å
91	M	68.6	Low	77.9	Confident	146 Å²	146	54 Å²	54	72%	0.719	29%	0.292	S	S	*	.	H	α-helix	trans	-66.2	-38.9	179.5	-70.8	-75.5	-158.3	0	0	112.5	F88	F88-M91 PolarHBondContact O-N 3.36Å
92	Y	69.1	Low	77.7	Confident	75 Å²	75	54.9 Å²	54.9	29%	0.294	30%	0.298	S	S	.	.			trans	-125.8	112.1	-172.3	-60.9	-64.3	0	0	0	111.9	Q42 F88 K94 F95	Q42-Y92 HydrophobicContact CG-CD1 4.15Å; Q42-Y92 HydrophobicContact CG-CE1 4.26Å; Q42-Y92 HydrophobicContact CG-CG 4.36Å; Q42-Y92 VanDerWaalsContact NE2-CD1 3.33Å; F88-Y92 HydrophobicContact CD1-CD2 4.49Å; F88-Y92 HydrophobicContact CD2-CE2 4.47Å; F88-Y92 HydrophobicContact CE1-CD2 4.04Å; F88-Y92 HydrophobicContact CE1-CE2 4.35Å; F88-Y92 HydrophobicContact CE2-CD2 4.12Å; F88-Y92 AromaticContact CE2-CE2 3.74Å; F88-Y92 HydrophobicContact CE2-CE2 3.74Å; F88-Y92 AromaticContact CZ-CD2 3.83Å; F88-Y92 HydrophobicContact CZ-CD2 3.83Å; F88-Y92 AromaticContact CZ-CE2 3.67Å; F88-Y92 HydrophobicContact CZ-CE2 3.67Å; Y92-K94 PolarHBondContact O-N 3.12Å; Y92-F95 HydrophobicContact CD2-CE1 4.24Å; Y92-F95 HydrophobicContact CG-CE1 4.43Å
93	E	68.4	Low	77.4	Confident	67 Å²	67	51.9 Å²	51.9	31%	0.313	28%	0.28	S	S	.	.	S	Bend	trans	-65.2	-27.7	-178.1	-178.3	170.9	176.2	0	0	113	K78 R155 K189	K78-E93 PolarHBondContact NZ-O 3.5Å; E93-R155 IonicContact OE1-CZ 2.75Å; E93-R155 IonicContact OE1-NH1 3.2Å; E93-R155 IonicContact OE1-NH2 2.73Å; E93-R155 PolarHBondContact OE1-NH2 3.46Å; E93-K189 WeakPolarHBondContact OE2-CD 3.38Å; E93-K189 WeakPolarHBondContact OE2-CE 3.47Å; E93-K189 IonicContact OE2-NZ 2.71Å; E93-K189 PolarHBondContact OE2-NZ 3.16Å
94	K	74.5	Confident	77.2	Confident	110 Å²	110	49.5 Å²	49.5	48%	0.478	26%	0.262	S	S	.	.			trans	-138.6	129.6	-176.7	-171.5	178.2	-175.5	-164.4	0	111.3	E74 Y92	E74-K94 WeakPolarHBondContact OE1-CE 3.48Å; E74-K94 IonicContact OE1-NZ 2.75Å; E74-K94 PolarHBondContact OE1-NZ 3.09Å; E74-K94 WeakPolarHBondContact OE2-CE 3.27Å; E74-K94 IonicContact OE2-NZ 2.76Å; E74-K94 PolarHBondContact OE2-NZ 3.2Å; Y92-K94 PolarHBondContact O-N 3.12Å
95	F	83.1	Confident	77.4	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.284	C	S	.	.			trans	-100	152.7	165.5	-59	-74	0	0	0	109.7	E74 L77 K78 L81 F88 Y92	E74-F95 WeakPolarHBondContact CB-O 3.46Å; E74-F95 WeakPolarHBondContact CG-O 2.91Å; L77-F95 HydrophobicContact CD2-CB 3.96Å; L77-F95 HydrophobicContact CG-CB 4.37Å; K78-F95 HydrophobicContact CB-CD2 4.09Å; K78-F95 HydrophobicContact CG-CD2 4.16Å; K78-F95 HydrophobicContact CG-CE2 4.32Å; L81-F95 HydrophobicContact CB-CE2 4.42Å; L81-F95 HydrophobicContact CD1-CB 4.38Å; L81-F95 HydrophobicContact CD1-CD1 3.75Å; L81-F95 HydrophobicContact CD1-CD2 3.47Å; L81-F95 VanDerWaalsContact CD1-CD2 3.47Å; L81-F95 HydrophobicContact CD1-CE1 3.87Å; L81-F95 HydrophobicContact CD1-CE2 3.58Å; L81-F95 HydrophobicContact CD1-CG 3.57Å; L81-F95 HydrophobicContact CD1-CZ 3.78Å; F88-F95 AromaticContact CD1-CE1 3.8Å; F88-F95 HydrophobicContact CD1-CE1 3.8Å; F88-F95 AromaticContact CD1-CZ 3.86Å; F88-F95 HydrophobicContact CD1-CZ 3.86Å; F88-F95 AromaticContact CE1-CE1 3.59Å; F88-F95 HydrophobicContact CE1-CE1 3.59Å; F88-F95 HydrophobicContact CE1-CZ 4.15Å; Y92-F95 HydrophobicContact CD2-CE1 4.24Å; Y92-F95 HydrophobicContact CG-CE1 4.43Å
96	S	85.1	Confident	77.8	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.5	178.7	-59.7	0	0	0	0	110.3	Q42 R43 L44	Q42-S96 PolarHBondContact O-N 3.08Å; R43-S96 VanDerWaalsContact CA-O 3.26Å; R43-S96 WeakPolarHBondContact CA-O 3.49Å; L44-S96 PolarHBondContact N-O 2.97Å
97	V	88.1	Confident	78.3	Confident	5 Å²	5	51 Å²	51	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110	174.6	-177.9	0	0	0	0	109.2	V46 A73 E74 L77 F99 N260	V46-V97 HydrophobicContact CB-CG1 4.11Å; V46-V97 HydrophobicContact CG2-CG1 3.64Å; A73-V97 HydrophobicContact CB-CG2 4.2Å; E74-V97 HydrophobicContact CG-CG2 4.4Å; L77-V97 HydrophobicContact CB-CG2 4.31Å; L77-V97 HydrophobicContact CD2-CG2 3.9Å; V97-F99 HydrophobicContact CB-CE2 4.46Å; V97-F99 HydrophobicContact CB-CZ 4.21Å; V97-F99 HydrophobicContact CG1-CE1 3.89Å; V97-F99 HydrophobicContact CG1-CE2 4.14Å; V97-F99 HydrophobicContact CG1-CZ 3.59Å; V97-F99 WeakPolarHBondContact O-CE2 3.42Å; V97-N260 PolarHBondContact O-ND2 3.03Å; V97-N260 PolarHBondContact O-OD1 3.34Å
98	G	88.4	Confident	79	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.5	173.1	0	0	0	0	0	110.9	L44 I45 V46	L44-G98 PolarHBondContact O-N 3.26Å; I45-G98 WeakPolarHBondContact CA-O 3.49Å; V46-G98 PolarHBondContact N-O 3.38Å
99	F	88	Confident	79.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146	178.5	-61.8	-79.2	0	0	0	112.4	V46 I48 L62 I70 V97 L121 V235 N260 N261	V46-F99 HydrophobicContact CB-CD1 4.24Å; V46-F99 HydrophobicContact CB-CE1 4.24Å; V46-F99 HydrophobicContact CG1-CD1 4.45Å; V46-F99 HydrophobicContact CG1-CE1 4.34Å; V46-F99 WeakPolarHBondContact O-CA 3.46Å; I48-F99 HydrophobicContact CD1-CB 3.99Å; I48-F99 HydrophobicContact CG1-CB 4.17Å; I48-F99 HydrophobicContact CG1-CD1 4.16Å; L62-F99 HydrophobicContact CD1-CD1 4.29Å; L62-F99 HydrophobicContact CD1-CE1 3.58Å; L62-F99 HydrophobicContact CD1-CE2 4.42Å; L62-F99 HydrophobicContact CD1-CZ 3.66Å; L62-F99 HydrophobicContact CD2-CD1 4.47Å; I70-F99 HydrophobicContact CD1-CE2 4.46Å; I70-F99 HydrophobicContact CG1-CE2 3.92Å; V97-F99 HydrophobicContact CB-CE2 4.46Å; V97-F99 HydrophobicContact CB-CZ 4.21Å; V97-F99 HydrophobicContact CG1-CE1 3.89Å; V97-F99 HydrophobicContact CG1-CE2 4.14Å; V97-F99 HydrophobicContact CG1-CZ 3.59Å; V97-F99 WeakPolarHBondContact O-CE2 3.42Å; F99-L121 HydrophobicContact CB-CD2 4.32Å; F99-L121 HydrophobicContact CD2-CD2 4.27Å; F99-L121 HydrophobicContact CG-CD2 4.33Å; F99-V235 HydrophobicContact CB-CG1 4.29Å; F99-N260 VanDerWaalsContact CD2-ND2 3.34Å; F99-N260 WeakPolarHBondContact CD2-ND2 3.44Å; F99-N260 WeakPolarHBondContact CE2-ND2 3.2Å; F99-N261 PolarHBondContact O-ND2 3.2Å
100	E	85	Confident	80.9	Confident	26 Å²	26	46.8 Å²	46.8	12%	0.121	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	173.2	176.4	177.1	148.3	-161.7	0	0	109.1	I45 V46 N47 I48 Q263 T525 E526	I45-E100 HydrophobicContact CG2-CB 3.82Å; V46-E100 PolarHBondContact O-N 3.08Å; N47-E100 CarbonylContact C-O 3.6Å; N47-E100 WeakPolarHBondContact CA-O 3.12Å; I48-E100 WeakPolarHBondContact CG1-O 3.38Å; I48-E100 PolarHBondContact N-O 3.34Å; E100-Q263 PolarHBondContact OE1-NE2 3.29Å; E100-Q263 PolarHBondContact OE2-NE2 3.47Å; E100-T525 HydrophobicContact CG-CG2 3.96Å; E100-E526 HydrophobicContact CG-CG 4.16Å
101	G	77.3	Confident	81.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	98.4	-178.5	-178.1	0	0	0	0	0	114.6	F103 T525	G101-F103 WeakPolarHBondContact O-CD2 3.42Å; G101-F103 WeakPolarHBondContact O-CE2 3.25Å; G101-F103 PolarHBondContact O-N 3.2Å; G101-T525 VanDerWaalsContact O-CB 3.27Å; G101-T525 WeakPolarHBondContact O-CB 3.24Å; G101-T525 PolarHBondContact O-OG1 2.86Å
102	S	79.1	Confident	82.8	Confident	18 Å²	18	37.8 Å²	37.8	13%	0.126	19%	0.186	C	C	.	.			trans	-75.5	115.9	-164.2	177.6	0	0	0	0	114.4	N49 R52 Y523	N49-S102 WeakPolarHBondContact OD1-CB 3.49Å; N49-S102 PolarHBondContact OD1-N 2.92Å; R52-S102 PolarHBondContact NH1-O 3.06Å; R52-S102 PolarHBondContact NH2-O 2.99Å; S102-Y523 PolarHBondContact OG-O 3.43Å
103	F	78.3	Confident	83.7	Confident	4 Å²	4	35 Å²	35	2%	0.018	18%	0.176	C	C	.	.			trans	-86.8	-14.1	176.7	-67	-87.3	0	0	0	114	I48 L63 G101 Q105 R106 H107 L121 C123 V235	I48-F103 HydrophobicContact CD1-CD1 4.07Å; I48-F103 HydrophobicContact CD1-CE1 3.26Å; I48-F103 HydrophobicContact CD1-CE2 4.29Å; I48-F103 HydrophobicContact CD1-CZ 3.39Å; L63-F103 HydrophobicContact CD2-CD1 4.03Å; L63-F103 HydrophobicContact CD2-CE1 4.3Å; G101-F103 WeakPolarHBondContact O-CD2 3.42Å; G101-F103 WeakPolarHBondContact O-CE2 3.25Å; G101-F103 PolarHBondContact O-N 3.2Å; F103-Q105 PolarHBondContact O-N 3.47Å; F103-R106 HydrophobicContact CB-CB 4.15Å; F103-R106 PolarHBondContact O-N 3.46Å; F103-R106 VanDerWaalsContact O-N 3.13Å; F103-H107 HydrophobicContact CB-CB 4.47Å; F103-L121 HydrophobicContact CE1-CD2 3.87Å; F103-L121 HydrophobicContact CE1-CG 4.12Å; F103-C123 HydrophobicContact CB-CB 3.98Å; F103-C123 HydrophobicContact CD1-CB 4.17Å; F103-C123 HydrophobicContact CD2-CB 3.38Å; F103-C123 HydrophobicContact CE2-CB 3.89Å; F103-C123 HydrophobicContact CG-CB 3.56Å; F103-C123 HydrophobicContact CZ-CB 4.47Å; F103-V235 HydrophobicContact CE1-CG1 3.97Å; F103-V235 HydrophobicContact CE2-CG1 4.24Å; F103-V235 HydrophobicContact CE2-CG2 3.66Å; F103-V235 HydrophobicContact CZ-CB 4.24Å; F103-V235 HydrophobicContact CZ-CG1 3.42Å; F103-V235 VanDerWaalsContact CZ-CG1 3.42Å; F103-V235 HydrophobicContact CZ-CG2 3.74Å
104	G	79.3	Confident	84.6	Confident	27 Å²	27	38.3 Å²	38.3	28%	0.278	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	54.8	-123.9	-178	0	0	0	0	0	111.9	R106 H107	G104-R106 PolarHBondContact O-N 2.98Å; G104-H107 VanDerWaalsContact O-CB 3.28Å; G104-H107 WeakPolarHBondContact O-CB 3.41Å; G104-H107 PolarHBondContact O-N 3.1Å
105	Q	81.7	Confident	85.3	Confident	178 Å²	178	37 Å²	37	83%	0.832	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-61.6	-9.7	179.6	-60.9	-178.9	4.7	0	0	115.4	F103 Y117	F103-Q105 PolarHBondContact O-N 3.47Å; Q105-Y117 PolarHBondContact O-OH 3.49Å
106	R	83.2	Confident	85.6	Confident	44 Å²	44	43.1 Å²	43.1	17%	0.166	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-96.8	4.4	177.2	-66	154.7	170.2	-91.9	1.2	112.9	L63 F103 G104 Y117 N120 L121 C123	L63-R106 VanDerWaalsContact C-NH1 3.32Å; L63-R106 PolarHBondContact O-NH1 3.41Å; F103-R106 HydrophobicContact CB-CB 4.15Å; F103-R106 PolarHBondContact O-N 3.46Å; F103-R106 VanDerWaalsContact O-N 3.13Å; G104-R106 PolarHBondContact O-N 2.98Å; R106-Y117 HydrophobicContact CG-CE1 4.35Å; R106-N120 VanDerWaalsContact CZ-OD1 3.27Å; R106-N120 VanDerWaalsContact NH1-CB 3.29Å; R106-N120 VanDerWaalsContact NH1-CG 3.31Å; R106-N120 PolarHBondContact NH1-OD1 3.16Å; R106-N120 PolarHBondContact NH2-OD1 2.83Å; R106-L121 PolarHBondContact NH1-O 3.41Å; R106-C123 PolarHBondContact O-N 3.46Å
107	H	87.9	Confident	85.8	Confident	23 Å²	23	44.7 Å²	44.7	11%	0.106	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.2	164.2	-167.3	83.6	0	0	0	108.8	F103 G104 C123 E125 Y523	F103-H107 HydrophobicContact CB-CB 4.47Å; G104-H107 VanDerWaalsContact O-CB 3.28Å; G104-H107 WeakPolarHBondContact O-CB 3.41Å; G104-H107 PolarHBondContact O-N 3.1Å; H107-C123 WeakPolarHBondContact CA-O 3.36Å; H107-C123 PolarHBondContact ND1-SG 3.15Å; H107-E125 IonicContact CD2-OE2 3.74Å; H107-E125 IonicContact CE1-OE1 3.75Å; H107-E125 PolarHBondContact CE1-OE1 3.04Å; H107-E125 IonicContact CE1-OE2 2.73Å; H107-E125 PolarHBondContact CE1-OE2 2.94Å; H107-E125 IonicContact NE2-OE1 2.74Å; H107-E125 PolarHBondContact NE2-OE1 2.84Å; H107-E125 IonicContact NE2-OE2 3.51Å; H107-E125 PolarHBondContact NE2-OE2 3.49Å; H107-Y523 HydrophobicContact CB-CD1 3.89Å; H107-Y523 AromaticContact CD2-CD1 3.8Å
108	L	88.2	Confident	85.9	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.9	-165.5	-61.9	172.6	0	0	0	111.6	T112 L113 Y117 V122 C123 C124 E125	L108-T112 WeakPolarHBondContact CD2-OG1 3.36Å; L108-L113 HydrophobicContact CD1-CG 4.38Å; L108-Y117 HydrophobicContact CD1-CD1 3.96Å; L108-Y117 HydrophobicContact CD1-CD2 3.68Å; L108-Y117 HydrophobicContact CD1-CE1 3.97Å; L108-Y117 HydrophobicContact CD1-CE2 3.69Å; L108-Y117 HydrophobicContact CD1-CG 3.8Å; L108-Y117 HydrophobicContact CD2-CE2 4.08Å; L108-V122 HydrophobicContact CD1-CB 4.39Å; L108-V122 HydrophobicContact CD1-CG1 4.05Å; L108-C123 PolarHBondContact N-O 2.86Å; L108-C124 VanDerWaalsContact O-CA 3.29Å; L108-C124 WeakPolarHBondContact O-CA 3.29Å; L108-E125 PolarHBondContact O-N 2.91Å
109	N	87.6	Confident	85.8	Confident	41 Å²	41	48.9 Å²	48.9	22%	0.219	26%	0.256	C	S	.	.			trans	-90.5	157.2	162.9	-67.5	-25.1	0	0	0	108.5	R111 T112 L113 T204	N109-R111 PolarHBondContact O-N 3.46Å; N109-T112 PolarHBondContact N-OG1 3.14Å; N109-T112 PolarHBondContact O-N 2.63Å; N109-T112 PolarHBondContact O-OG1 2.71Å; N109-L113 PolarHBondContact O-N 3.1Å; N109-T204 WeakPolarHBondContact ND2-CG2 3.27Å
110	P	88.8	Confident	85.9	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.058	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.8	172.1	-28.6	34.2	0	0	0	113.9	E125 M198 E200 V214	P110-E125 VanDerWaalsContact CD-O 3.26Å; P110-E125 WeakPolarHBondContact CD-O 3.31Å; P110-M198 HydrophobicContact CG-CE 4.46Å; P110-E200 HydrophobicContact CB-CG 4.01Å; P110-E200 HydrophobicContact CG-CG 4.11Å; P110-V214 HydrophobicContact CB-CB 4.39Å; P110-V214 HydrophobicContact CB-CG2 3.83Å
111	R	88.3	Confident	86.2	Confident	70 Å²	70	48.5 Å²	48.5	26%	0.264	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-41.6	171.6	-163.3	168.4	-70.1	-106.8	-6.3	115.4	N109 L113 E200 P206 L210	N109-R111 PolarHBondContact O-N 3.46Å; R111-L113 VanDerWaalsContact C-N 3.35Å; R111-E200 HydrophobicContact CB-CG 4.41Å; R111-E200 VanDerWaalsContact CB-OE1 3.32Å; R111-E200 WeakPolarHBondContact CB-OE1 3.3Å; R111-E200 IonicContact CZ-OE1 3.71Å; R111-E200 IonicContact CZ-OE2 3.41Å; R111-E200 VanDerWaalsContact CZ-OE2 3.22Å; R111-E200 PolarHBondContact N-OE1 3.39Å; R111-E200 IonicContact NE-OE1 2.85Å; R111-E200 PolarHBondContact NE-OE1 2.91Å; R111-E200 IonicContact NE-OE2 2.68Å; R111-E200 PolarHBondContact NE-OE2 3.44Å; R111-E200 IonicContact NH2-OE1 3.32Å; R111-E200 IonicContact NH2-OE2 3.71Å; R111-E200 PolarHBondContact NH2-OE2 3.13Å; R111-P206 VanDerWaalsContact CZ-CD 3.5Å; R111-P206 VanDerWaalsContact NH1-CG 3.33Å; R111-L210 PolarHBondContact NH2-O 2.9Å
112	T	88.6	Confident	86.9	Confident	61 Å²	61	48.5 Å²	48.5	37%	0.374	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.6	-173.7	55.4	0	0	0	0	112.1	L108 N109 K114	L108-T112 WeakPolarHBondContact CD2-OG1 3.36Å; N109-T112 PolarHBondContact N-OG1 3.14Å; N109-T112 PolarHBondContact O-N 2.63Å; N109-T112 PolarHBondContact O-OG1 2.71Å; T112-K114 PolarHBondContact O-N 3.49Å
113	L	88.4	Confident	87.6	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.084	25%	0.249	C	C	.	.			trans	-67.9	92	174.4	-143.9	-175.4	0	0	0	110.8	L108 N109 R111 V214 Y238	L108-L113 HydrophobicContact CD1-CG 4.38Å; N109-L113 PolarHBondContact O-N 3.1Å; R111-L113 VanDerWaalsContact C-N 3.35Å; L113-V214 HydrophobicContact CD1-CG1 4.19Å; L113-V214 HydrophobicContact CD1-CG2 3.98Å; L113-Y238 HydrophobicContact CD1-CD2 3.89Å; L113-Y238 HydrophobicContact CD1-CE2 3.83Å; L113-Y238 HydrophobicContact CD2-CD1 3.52Å; L113-Y238 HydrophobicContact CD2-CD2 3.67Å; L113-Y238 HydrophobicContact CD2-CE1 3.35Å; L113-Y238 HydrophobicContact CD2-CE2 3.51Å; L113-Y238 HydrophobicContact CD2-CG 3.65Å; L113-Y238 HydrophobicContact CG-CD2 4.44Å; L113-Y238 HydrophobicContact CG-CE2 4.32Å
114	K	88.4	Confident	88.2	Confident	136 Å²	136	47.4 Å²	47.4	59%	0.591	25%	0.248	S	C	*	.			trans	-102.3	166.9	-179.4	-68.1	175.3	-178	177.8	0	112.2	T112 N116 Y117	T112-K114 PolarHBondContact O-N 3.49Å; K114-N116 PolarHBondContact O-N 3.47Å; K114-Y117 PolarHBondContact O-N 3.22Å
115	S	87.5	Confident	88.6	Confident	83 Å²	83	47.5 Å²	47.5	58%	0.58	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-49.7	-28.7	175	50.5	0	0	0	0	115.1	Y117 I118	S115-Y117 PolarHBondContact O-N 2.65Å; S115-Y117 VanDerWaalsContact O-N 3.12Å; S115-I118 WeakPolarHBondContact O-CD1 3.24Å; S115-I118 VanDerWaalsContact O-CG1 3.29Å; S115-I118 WeakPolarHBondContact O-CG1 3.43Å; S115-I118 PolarHBondContact O-N 2.92Å
116	N	89.9	Confident	89	Confident	130 Å²	130	39 Å²	39	70%	0.695	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-63.1	-16.8	178.9	-59.8	15.7	0	0	0	113.1	K114 N120	K114-N116 PolarHBondContact O-N 3.47Å; N116-N120 PolarHBondContact O-ND2 2.94Å
117	Y	89.5	Confident	89.2	Confident	56 Å²	56	37.6 Å²	37.6	22%	0.22	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-98.1	10.6	179.4	-59.5	-78.7	0	0	0	113.7	Q105 R106 L108 K114 S115 G119 N120 V122	Q105-Y117 PolarHBondContact O-OH 3.49Å; R106-Y117 HydrophobicContact CG-CE1 4.35Å; L108-Y117 HydrophobicContact CD1-CD1 3.96Å; L108-Y117 HydrophobicContact CD1-CD2 3.68Å; L108-Y117 HydrophobicContact CD1-CE1 3.97Å; L108-Y117 HydrophobicContact CD1-CE2 3.69Å; L108-Y117 HydrophobicContact CD1-CG 3.8Å; L108-Y117 HydrophobicContact CD2-CE2 4.08Å; K114-Y117 PolarHBondContact O-N 3.22Å; S115-Y117 PolarHBondContact O-N 2.65Å; S115-Y117 VanDerWaalsContact O-N 3.12Å; Y117-G119 PolarHBondContact O-N 3.19Å; Y117-N120 WeakPolarHBondContact O-CB 3.45Å; Y117-N120 PolarHBondContact O-N 2.99Å; Y117-V122 HydrophobicContact CD1-CG1 4.07Å; Y117-V122 HydrophobicContact CG-CG1 4.25Å
118	I	89.6	Confident	89.3	Confident	72 Å²	72	36.5 Å²	36.5	37%	0.369	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	133.8	174.7	-64.7	167.7	0	0	0	109.8	S115 N120 Y238	S115-I118 WeakPolarHBondContact O-CD1 3.24Å; S115-I118 VanDerWaalsContact O-CG1 3.29Å; S115-I118 WeakPolarHBondContact O-CG1 3.43Å; S115-I118 PolarHBondContact O-N 2.92Å; I118-N120 PolarHBondContact O-N 2.96Å; I118-Y238 HydrophobicContact CB-CD1 4.49Å; I118-Y238 HydrophobicContact CG1-CD1 3.83Å; I118-Y238 HydrophobicContact CG1-CE1 3.73Å
119	G	87.5	Confident	89.2	Confident	22 Å²	22	36.7 Å²	36.7	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-20.7	-176.4	0	0	0	0	0	114.7	Y117 Y238	Y117-G119 PolarHBondContact O-N 3.19Å; G119-Y238 PolarHBondContact N-O 3.5Å
120	N	90.4	Very high	89.2	Confident	19 Å²	19	37.2 Å²	37.2	10%	0.102	19%	0.194	C	C	.	.	S	Bend	trans	-73.7	148.3	179.8	-79.5	-60.3	0	0	0	112.4	L63 V64 R106 N116 Y117 I118 V122 Y238	L63-N120 WeakPolarHBondContact O-CA 3.36Å; L63-N120 PolarHBondContact O-OD1 3.03Å; L63-N120 VanDerWaalsContact O-OD1 3.14Å; V64-N120 VanDerWaalsContact CA-OD1 3.3Å; V64-N120 WeakPolarHBondContact CA-OD1 3.49Å; V64-N120 PolarHBondContact O-OD1 3.19Å; R106-N120 VanDerWaalsContact CZ-OD1 3.27Å; R106-N120 VanDerWaalsContact NH1-CB 3.29Å; R106-N120 VanDerWaalsContact NH1-CG 3.31Å; R106-N120 PolarHBondContact NH1-OD1 3.16Å; R106-N120 PolarHBondContact NH2-OD1 2.83Å; N116-N120 PolarHBondContact O-ND2 2.94Å; Y117-N120 WeakPolarHBondContact O-CB 3.45Å; Y117-N120 PolarHBondContact O-N 2.99Å; I118-N120 PolarHBondContact O-N 2.96Å; N120-V122 HydrophobicContact CB-CG1 4.35Å; N120-Y238 PolarHBondContact O-N 2.89Å
121	L	91.2	Very high	89.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.7	159.1	-166	69.5	0	0	0	108.9	I48 L62 L63 A66 I70 F99 F103 R106 V235 V237	I48-L121 HydrophobicContact CD1-CD2 4.16Å; L62-L121 HydrophobicContact CD2-CD2 3.6Å; L63-L121 HydrophobicContact CD2-CB 4.37Å; L63-L121 HydrophobicContact CD2-CD2 4.38Å; L63-L121 PolarHBondContact O-N 2.98Å; A66-L121 HydrophobicContact CB-CB 3.89Å; A66-L121 HydrophobicContact CB-CD1 4.5Å; I70-L121 HydrophobicContact CD1-CD1 4.47Å; F99-L121 HydrophobicContact CB-CD2 4.32Å; F99-L121 HydrophobicContact CD2-CD2 4.27Å; F99-L121 HydrophobicContact CG-CD2 4.33Å; F103-L121 HydrophobicContact CE1-CD2 3.87Å; F103-L121 HydrophobicContact CE1-CG 4.12Å; R106-L121 PolarHBondContact NH1-O 3.41Å; L121-V235 HydrophobicContact CD1-CG1 4.24Å; L121-V235 HydrophobicContact CG-CG1 4.42Å; L121-V237 HydrophobicContact CD1-CG2 3.95Å
122	V	92.5	Very high	89	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.7	178.3	-63.1	0	0	0	0	111	L108 Y117 N120 G236 L257	L108-V122 HydrophobicContact CD1-CB 4.39Å; L108-V122 HydrophobicContact CD1-CG1 4.05Å; Y117-V122 HydrophobicContact CD1-CG1 4.07Å; Y117-V122 HydrophobicContact CG-CG1 4.25Å; N120-V122 HydrophobicContact CB-CG1 4.35Å; V122-G236 PolarHBondContact N-O 2.7Å; V122-G236 PolarHBondContact O-N 2.95Å; V122-L257 HydrophobicContact CG2-CD1 3.51Å
123	C	92	Very high	88.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.9	169.4	177.1	0	0	0	0	107.7	F103 R106 H107 L108 R233 V235	F103-C123 HydrophobicContact CB-CB 3.98Å; F103-C123 HydrophobicContact CD1-CB 4.17Å; F103-C123 HydrophobicContact CD2-CB 3.38Å; F103-C123 HydrophobicContact CE2-CB 3.89Å; F103-C123 HydrophobicContact CG-CB 3.56Å; F103-C123 HydrophobicContact CZ-CB 4.47Å; R106-C123 PolarHBondContact O-N 3.46Å; H107-C123 WeakPolarHBondContact CA-O 3.36Å; H107-C123 PolarHBondContact ND1-SG 3.15Å; L108-C123 PolarHBondContact N-O 2.86Å; C123-R233 VanDerWaalsContact SG-CD 3.57Å; C123-R233 WeakPolarHBondContact SG-CG 3.5Å; C123-V235 HydrophobicContact CB-CG2 4.29Å
124	C	91	Very high	88.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.1	-177.6	-67.5	0	0	0	0	111.3	L108 M198 A234 L257	L108-C124 VanDerWaalsContact O-CA 3.29Å; L108-C124 WeakPolarHBondContact O-CA 3.29Å; C124-M198 HydrophobicContact CB-CE 3.55Å; C124-A234 PolarHBondContact N-O 2.91Å; C124-A234 PolarHBondContact O-N 2.95Å; C124-L257 HydrophobicContact CB-CD2 4.07Å
125	E	89.3	Confident	88.7	Confident	29 Å²	29	35.3 Å²	35.3	14%	0.136	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.3	178.2	-71.9	-178	154.5	0	0	111.9	H107 L108 P110 L201 R233 M265	H107-E125 IonicContact CD2-OE2 3.74Å; H107-E125 IonicContact CE1-OE1 3.75Å; H107-E125 PolarHBondContact CE1-OE1 3.04Å; H107-E125 IonicContact CE1-OE2 2.73Å; H107-E125 PolarHBondContact CE1-OE2 2.94Å; H107-E125 IonicContact NE2-OE1 2.74Å; H107-E125 PolarHBondContact NE2-OE1 2.84Å; H107-E125 IonicContact NE2-OE2 3.51Å; H107-E125 PolarHBondContact NE2-OE2 3.49Å; L108-E125 PolarHBondContact O-N 2.91Å; P110-E125 VanDerWaalsContact CD-O 3.26Å; P110-E125 WeakPolarHBondContact CD-O 3.31Å; E125-L201 HydrophobicContact CB-CD1 4.13Å; E125-R233 HydrophobicContact CG-CB 4.09Å; E125-R233 HydrophobicContact CG-CG 3.9Å; E125-R233 IonicContact OE1-CZ 2.86Å; E125-R233 IonicContact OE1-NE 3.55Å; E125-R233 PolarHBondContact OE1-NE 3.38Å; E125-R233 IonicContact OE1-NH2 2.65Å; E125-R233 PolarHBondContact OE1-NH2 2.92Å; E125-M265 HydrophobicContact CG-SD 4.37Å
126	G	88.5	Confident	88.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-175.3	178.2	0	0	0	0	0	114.4	Q199 R231 I232	G126-Q199 CarbonylContact C-O 3.56Å; G126-Q199 WeakPolarHBondContact CA-O 3.21Å; G126-R231 CarbonylContact O-C 3.6Å; G126-R231 WeakPolarHBondContact O-CA 3.29Å; G126-I232 PolarHBondContact N-O 2.92Å; G126-I232 PolarHBondContact O-N 3.4Å; G126-I232 VanDerWaalsContact O-O 3.14Å
127	I	88.5	Confident	88.7	Confident	13 Å²	13	31.5 Å²	31.5	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.3	175.4	-63.4	172.8	0	0	0	108.8	T129 M198 Q199 L201 P202 D230 R231 L396	I127-T129 PolarHBondContact O-N 3.04Å; I127-M198 CarbonylContact O-C 3.21Å; I127-M198 WeakPolarHBondContact O-CA 3.37Å; I127-Q199 PolarHBondContact N-O 2.81Å; I127-Q199 PolarHBondContact O-N 2.88Å; I127-L201 HydrophobicContact CG1-CG 4.43Å; I127-P202 HydrophobicContact CD1-CG 4.45Å; I127-D230 WeakPolarHBondContact CA-O 3.44Å; I127-R231 HydrophobicContact CD1-CG 4.31Å; I127-R231 HydrophobicContact CG1-CG 3.77Å; I127-L396 HydrophobicContact CG2-CD2 3.98Å
128	V	89.8	Confident	88.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	116.7	170.9	-176.7	0	0	0	0	108.6	L196 C226 P228 G229 D230 I232	V128-L196 HydrophobicContact CG1-CB 4.42Å; V128-L196 HydrophobicContact CG1-CD1 4.35Å; V128-L196 HydrophobicContact CG1-CD2 4.26Å; V128-L196 HydrophobicContact CG2-CD1 4.29Å; V128-C226 HydrophobicContact CG2-CB 4.13Å; V128-P228 CarbonylContact O-C 3.58Å; V128-P228 WeakPolarHBondContact O-CA 2.82Å; V128-G229 PolarHBondContact O-N 3.17Å; V128-D230 PolarHBondContact N-O 3.36Å; V128-I232 HydrophobicContact CG2-CD1 3.52Å; V128-I232 HydrophobicContact CG2-CG1 3.8Å; V128-I232 HydrophobicContact CG2-CG2 3.96Å
129	T	87	Confident	88.4	Confident	13 Å²	13	30 Å²	30	8%	0.08	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-43.7	-179.5	47	0	0	0	0	111.7	I127 S197 Q199 E390 A391	I127-T129 PolarHBondContact O-N 3.04Å; T129-S197 PolarHBondContact N-O 3.45Å; T129-S197 PolarHBondContact OG1-O 3.2Å; T129-S197 PolarHBondContact OG1-OG 2.94Å; T129-Q199 HydrophobicContact CG2-CB 3.56Å; T129-Q199 HydrophobicContact CG2-CG 4.49Å; T129-E390 WeakPolarHBondContact O-CA 3.13Å; T129-A391 PolarHBondContact O-N 2.68Å
130	K	87.3	Confident	88.4	Confident	52 Å²	52	30 Å²	30	23%	0.226	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.1	179.4	-44.1	-169.5	-169.5	-141.3	0	110.4	L196 S197 L389 E390	K130-L196 WeakPolarHBondContact O-CA 3.22Å; K130-S197 PolarHBondContact O-N 3.46Å; K130-L389 WeakPolarHBondContact CA-O 3.45Å; K130-E390 HydrophobicContact CD-CB 4.44Å; K130-E390 WeakPolarHBondContact CE-OE1 3.27Å; K130-E390 WeakPolarHBondContact CE-OE2 2.94Å; K130-E390 HydrophobicContact CG-CB 4.11Å; K130-E390 HydrophobicContact CG-CG 4.13Å; K130-E390 IonicContact NZ-OE1 2.78Å; K130-E390 PolarHBondContact NZ-OE1 3.03Å; K130-E390 IonicContact NZ-OE2 3.18Å; K130-E390 PolarHBondContact NZ-OE2 2.9Å
131	S	86.4	Confident	88.4	Confident	19 Å²	19	29.1 Å²	29.1	13%	0.133	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.8	169.2	59.1	0	0	0	0	110	P228 L389	S131-P228 WeakPolarHBondContact OG-CG 3.42Å; S131-L389 PolarHBondContact N-O 3.33Å; S131-L389 PolarHBondContact O-N 2.83Å
132	S	86.1	Confident	88.4	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.028	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-73.8	162.1	164.6	-160.7	0	0	0	0	111	Q194 K195	S132-Q194 PolarHBondContact O-NE2 3.35Å; S132-K195 VanDerWaalsContact CB-O 3.24Å; S132-K195 WeakPolarHBondContact CB-O 3.37Å; S132-K195 PolarHBondContact N-O 2.81Å
133	L	84.9	Confident	88.3	Confident	96 Å²	96	29.4 Å²	29.4	50%	0.503	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-63.8	162.6	164.4	-60.8	173.2	0	0	0	109.8	Y135	L133-Y135 HydrophobicContact CB-CE1 4.47Å; L133-Y135 HydrophobicContact CB-CE2 4.15Å; L133-Y135 VanDerWaalsContact O-CD2 3.3Å; L133-Y135 WeakPolarHBondContact O-CD2 3.48Å; L133-Y135 VanDerWaalsContact O-CE2 3.24Å; L133-Y135 WeakPolarHBondContact O-CE2 3.36Å
134	I	88.4	Confident	88.2	Confident	65 Å²	65	32.5 Å²	32.5	33%	0.333	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-90.4	132	179	-55.5	167.9	0	0	0	108.1	D192 Q194 T223 D224	I134-D192 HydrophobicContact CG2-CB 3.85Å; I134-Q194 HydrophobicContact CG1-CB 4.42Å; I134-Q194 HydrophobicContact CG1-CG 4.33Å; I134-T223 HydrophobicContact CG2-CG2 4.25Å; I134-D224 HydrophobicContact CD1-CB 3.78Å
135	Y	86.5	Confident	88.1	Confident	69 Å²	69	32.5 Å²	32.5	27%	0.271	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.9	-177.9	-60.4	-76.5	0	0	0	111.6	L133 K137 H193 E386	L133-Y135 HydrophobicContact CB-CE1 4.47Å; L133-Y135 HydrophobicContact CB-CE2 4.15Å; L133-Y135 VanDerWaalsContact O-CD2 3.3Å; L133-Y135 WeakPolarHBondContact O-CD2 3.48Å; L133-Y135 VanDerWaalsContact O-CE2 3.24Å; L133-Y135 WeakPolarHBondContact O-CE2 3.36Å; Y135-K137 PolarHBondContact O-N 3.15Å; Y135-H193 PolarHBondContact N-O 3.36Å; Y135-H193 WeakPolarHBondContact O-CB 3.46Å; Y135-H193 PolarHBondContact O-N 2.91Å; Y135-E386 VanDerWaalsContact CZ-CD 3.47Å; Y135-E386 VanDerWaalsContact CZ-OE1 3.22Å; Y135-E386 VanDerWaalsContact OH-CG 3.27Å; Y135-E386 WeakPolarHBondContact OH-CG 3.29Å; Y135-E386 PolarHBondContact OH-OE1 3.39Å
136	P	89.7	Confident	88	Confident	90 Å²	90	33.8 Å²	33.8	58%	0.584	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.1	170.8	29.8	-32.7	0	0	0	110
137	K	87.3	Confident	87.8	Confident	42 Å²	42	40 Å²	40	18%	0.183	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.2	174.7	177	162.6	-176.3	163.3	0	110.1	Y135 D158 T160 Y190 K191 H193	Y135-K137 PolarHBondContact O-N 3.15Å; K137-D158 IonicContact NZ-OD2 3.65Å; K137-D158 PolarHBondContact NZ-OD2 3.27Å; K137-T160 PolarHBondContact NZ-OG1 3.01Å; K137-Y190 CarbonylContact O-C 3.44Å; K137-Y190 WeakPolarHBondContact O-CA 3.33Å; K137-K191 HydrophobicContact CB-CG 4.05Å; K137-K191 HydrophobicContact CG-CG 4.45Å; K137-K191 PolarHBondContact N-O 3.29Å; K137-K191 PolarHBondContact O-N 2.88Å; K137-H193 HydrophobicContact CB-CB 3.95Å; K137-H193 HydrophobicContact CD-CB 4.45Å
138	I	87.4	Confident	87.5	Confident	36 Å²	36	41.4 Å²	41.4	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.6	179	-166.2	163	0	0	0	112	Y156 Y171 Y190	I138-Y156 HydrophobicContact CD1-CD2 4.04Å; I138-Y156 HydrophobicContact CD1-CE2 3.79Å; I138-Y156 HydrophobicContact CG1-CD2 3.94Å; I138-Y156 HydrophobicContact CG1-CE2 4.21Å; I138-Y156 HydrophobicContact CG2-CD2 3.86Å; I138-Y156 HydrophobicContact CG2-CE2 4.43Å; I138-Y156 HydrophobicContact CG2-CG 4.09Å; I138-Y171 HydrophobicContact CD1-CE1 3.59Å; I138-Y171 WeakPolarHBondContact CD1-OH 3.37Å; I138-Y190 HydrophobicContact CB-CD1 4.05Å; I138-Y190 HydrophobicContact CB-CE1 4.08Å; I138-Y190 HydrophobicContact CD1-CE1 4.08Å; I138-Y190 HydrophobicContact CG1-CD1 4.25Å; I138-Y190 HydrophobicContact CG1-CE1 4.04Å
139	V	85.1	Confident	87.3	Confident	60 Å²	60	49 Å²	49	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-41.5	173.7	-178.2	0	0	0	0	110.3	R155 Y156 K189 K191	V139-R155 WeakPolarHBondContact O-CA 3.43Å; V139-Y156 PolarHBondContact O-N 2.91Å; V139-K189 PolarHBondContact N-O 3.41Å; V139-K191 HydrophobicContact CG2-CB 3.99Å; V139-K191 HydrophobicContact CG2-CD 3.85Å; V139-K191 HydrophobicContact CG2-CG 3.7Å
140	K	87.8	Confident	87.2	Confident	24 Å²	24	56.9 Å²	56.9	10%	0.104	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.5	-177.4	-175.2	-171.7	177.5	-172.9	0	109.7	E153 K154 R155 C188 K189	K140-E153 WeakPolarHBondContact CE-OE1 3.5Å; K140-E153 WeakPolarHBondContact CE-OE2 3.45Å; K140-E153 IonicContact NZ-OE1 2.66Å; K140-E153 PolarHBondContact NZ-OE1 3.12Å; K140-E153 IonicContact NZ-OE2 2.79Å; K140-E153 PolarHBondContact NZ-OE2 3.2Å; K140-K154 CarbonylContact C-O 3.49Å; K140-K154 WeakPolarHBondContact CA-O 3.41Å; K140-R155 HydrophobicContact CG-CG 4.49Å; K140-C188 CarbonylContact O-C 3.41Å; K140-C188 VanDerWaalsContact O-CA 3.29Å; K140-C188 WeakPolarHBondContact O-CA 3.34Å; K140-K189 HydrophobicContact CB-CB 4.18Å; K140-K189 PolarHBondContact N-O 3.48Å; K140-K189 PolarHBondContact O-N 3.32Å
141	S	90.1	Very high	87.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.7	163.5	57.7	0	0	0	0	110.7	H143 E153 K154 Y156	S141-H143 WeakPolarHBondContact CB-NE2 3.34Å; S141-H143 PolarHBondContact OG-CD2 3.22Å; S141-H143 PolarHBondContact OG-NE2 2.96Å; S141-E153 WeakPolarHBondContact O-CA 3.35Å; S141-K154 PolarHBondContact N-O 2.98Å; S141-K154 PolarHBondContact O-N 3.43Å; S141-K154 PolarHBondContact OG-O 3.23Å; S141-Y156 VanDerWaalsContact OG-CE2 3.24Å; S141-Y156 WeakPolarHBondContact OG-CE2 3.43Å; S141-Y156 PolarHBondContact OG-OH 2.93Å; S141-Y156 VanDerWaalsContact OG-OH 3.13Å
142	V	91.4	Very high	87.1	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.2	166.1	-177.5	0	0	0	0	107.7	T151 E153 E184 L187 C188	V142-T151 HydrophobicContact CG1-CG2 4.44Å; V142-E153 HydrophobicContact CG2-CG 4.34Å; V142-E184 PolarHBondContact O-N 3.34Å; V142-L187 HydrophobicContact CB-CB 3.89Å; V142-L187 HydrophobicContact CG1-CB 4.25Å; V142-L187 HydrophobicContact CG1-CD1 4.2Å; V142-L187 HydrophobicContact CG2-CB 3.78Å; V142-C188 PolarHBondContact N-SG 2.69Å
143	H	90.5	Very high	87.2	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.3	177.2	-56.8	-98.5	0	0	0	108.9	S141 T151 T152 Y156 Y171 P172 L181 E182 T183	S141-H143 WeakPolarHBondContact CB-NE2 3.34Å; S141-H143 PolarHBondContact OG-CD2 3.22Å; S141-H143 PolarHBondContact OG-NE2 2.96Å; H143-T151 CarbonylContact O-C 3.45Å; H143-T151 WeakPolarHBondContact O-CA 3.47Å; H143-T152 PolarHBondContact N-O 3.34Å; H143-T152 PolarHBondContact O-N 3.27Å; H143-Y156 PolarHBondContact NE2-OH 2.93Å; H143-Y171 WeakPolarHBondContact CE1-CB 3.45Å; H143-Y171 AromaticContact CE1-CD1 3.08Å; H143-Y171 WeakPolarHBondContact CE1-CD1 3.3Å; H143-Y171 AromaticContact CE1-CG 3.5Å; H143-Y171 VanDerWaalsContact CE1-CG 3.5Å; H143-Y171 AromaticContact NE2-CD1 3.88Å; H143-P172 VanDerWaalsContact CE1-CD 3.43Å; H143-P172 WeakPolarHBondContact CE1-CD 3.49Å; H143-P172 PolarHBondContact CE1-O 3.29Å; H143-P172 VanDerWaalsContact NE2-CD 3.34Å; H143-P172 WeakPolarHBondContact NE2-CD 3.21Å; H143-L181 HydrophobicContact CB-CB 4.26Å; H143-L181 HydrophobicContact CB-CD1 4.41Å; H143-L181 HydrophobicContact CB-CD2 3.97Å; H143-L181 HydrophobicContact CB-CG 4.46Å; H143-E182 CarbonylContact C-O 3.52Å; H143-E182 VanDerWaalsContact CA-O 3.25Å; H143-E182 WeakPolarHBondContact CA-O 3.48Å; H143-T183 WeakPolarHBondContact CE1-CG2 3.27Å; H143-T183 WeakPolarHBondContact ND1-CG2 3.39Å
144	Y	90.2	Very high	87.2	Confident	66 Å²	66	63.2 Å²	63.2	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.9	175.9	178	-110.6	0	0	0	109.2	P146 T151 E182	Y144-P146 HydrophobicContact CE1-CB 4.16Å; Y144-T151 HydrophobicContact CD2-CG2 3.89Å; Y144-E182 PolarHBondContact N-O 3.38Å; Y144-E182 PolarHBondContact O-N 3.07Å
145	C	87.6	Confident	87	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.8	168.9	-178.4	0	0	0	0	109	E147 T148 K149 R150 D175 N179 L181	C145-E147 PolarHBondContact O-N 2.87Å; C145-T148 VanDerWaalsContact CB-OG1 3.28Å; C145-T148 WeakPolarHBondContact CB-OG1 3.23Å; C145-K149 VanDerWaalsContact O-CA 3.28Å; C145-K149 WeakPolarHBondContact O-CA 3.12Å; C145-K149 PolarHBondContact O-N 2.74Å; C145-R150 PolarHBondContact N-O 3.15Å; C145-D175 VanDerWaalsContact CB-OD2 3.27Å; C145-D175 WeakPolarHBondContact CB-OD2 3.47Å; C145-N179 VanDerWaalsContact SG-CB 3.57Å; C145-L181 HydrophobicContact CB-CD2 3.83Å
146	P	87	Confident	86.8	Confident	55 Å²	55	65.3 Å²	65.3	36%	0.357	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.7	-178	25.5	-33.8	0	0	0	113.1	Y144	Y144-P146 HydrophobicContact CE1-CB 4.16Å
147	E	84	Confident	86.2	Confident	131 Å²	131	62.9 Å²	62.9	61%	0.612	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-46.3	-179.1	-63.4	-169.7	179.2	0	0	113	C145 K149 N179	C145-E147 PolarHBondContact O-N 2.87Å; E147-K149 VanDerWaalsContact C-N 3.34Å; E147-N179 WeakPolarHBondContact CB-ND2 3.47Å; E147-N179 PolarHBondContact OE2-ND2 2.81Å
148	T	83.8	Confident	85.6	Confident	42 Å²	42	63.7 Å²	63.7	26%	0.258	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15	179.3	70	0	0	0	0	112.6	C145 R150	C145-T148 VanDerWaalsContact CB-OG1 3.28Å; C145-T148 WeakPolarHBondContact CB-OG1 3.23Å; T148-R150 PolarHBondContact O-N 3.13Å; T148-R150 WeakPolarHBondContact OG1-CB 3.32Å; T148-R150 PolarHBondContact OG1-N 2.91Å
149	K	84.6	Confident	85	Confident	161 Å²	161	64.6 Å²	64.6	70%	0.7	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	25.8	-171.6	-55	-177	-179	179.7	0	113.5	C145 E147	C145-K149 VanDerWaalsContact O-CA 3.28Å; C145-K149 WeakPolarHBondContact O-CA 3.12Å; C145-K149 PolarHBondContact O-N 2.74Å; E147-K149 VanDerWaalsContact C-N 3.34Å
150	R	85.9	Confident	84.4	Confident	178 Å²	178	62.3 Å²	62.3	67%	0.672	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.3	177.2	-64.1	179.2	178.6	-177.5	-1.4	109.7	C145 T148	C145-R150 PolarHBondContact N-O 3.15Å; T148-R150 PolarHBondContact O-N 3.13Å; T148-R150 WeakPolarHBondContact OG1-CB 3.32Å; T148-R150 PolarHBondContact OG1-N 2.91Å
151	T	86	Confident	83.5	Confident	84 Å²	84	62.2 Å²	62.2	52%	0.515	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.9	163.8	45.4	0	0	0	0	109.5	V142 H143 Y144	V142-T151 HydrophobicContact CG1-CG2 4.44Å; H143-T151 CarbonylContact O-C 3.45Å; H143-T151 WeakPolarHBondContact O-CA 3.47Å; Y144-T151 HydrophobicContact CD2-CG2 3.89Å
152	T	86.1	Confident	82.4	Confident	44 Å²	44	64 Å²	64	27%	0.27	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.8	175.3	56.6	0	0	0	0	109.5	H143	H143-T152 PolarHBondContact N-O 3.34Å; H143-T152 PolarHBondContact O-N 3.27Å
153	E	87.7	Confident	81	Confident	114 Å²	114	68.2 Å²	68.2	53%	0.533	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.4	-176	-54.3	-165	140.7	0	0	110.6	K140 S141 V142	K140-E153 WeakPolarHBondContact CE-OE1 3.5Å; K140-E153 WeakPolarHBondContact CE-OE2 3.45Å; K140-E153 IonicContact NZ-OE1 2.66Å; K140-E153 PolarHBondContact NZ-OE1 3.12Å; K140-E153 IonicContact NZ-OE2 2.79Å; K140-E153 PolarHBondContact NZ-OE2 3.2Å; S141-E153 WeakPolarHBondContact O-CA 3.35Å; V142-E153 HydrophobicContact CG2-CG 4.34Å
154	K	84.3	Confident	79.4	Confident	61 Å²	61	71.8 Å²	71.8	27%	0.265	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.1	176.5	-171.6	176.8	175.4	-175.1	0	110.2	K140 S141 Y156 F170 P172	K140-K154 CarbonylContact C-O 3.49Å; K140-K154 WeakPolarHBondContact CA-O 3.41Å; S141-K154 PolarHBondContact N-O 2.98Å; S141-K154 PolarHBondContact O-N 3.43Å; S141-K154 PolarHBondContact OG-O 3.23Å; K154-Y156 HydrophobicContact CD-CE1 4.05Å; K154-Y156 HydrophobicContact CG-CE1 4.4Å; K154-F170 PolarHBondContact NZ-O 2.82Å; K154-P172 HydrophobicContact CD-CG 4.15Å
155	R	84.2	Confident	78.2	Confident	153 Å²	153	75.2 Å²	75.2	58%	0.577	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.2	173.7	-65.8	178.8	177.4	-126.2	-15.4	109.2	E93 V139 K140	E93-R155 IonicContact OE1-CZ 2.75Å; E93-R155 IonicContact OE1-NH1 3.2Å; E93-R155 IonicContact OE1-NH2 2.73Å; E93-R155 PolarHBondContact OE1-NH2 3.46Å; V139-R155 WeakPolarHBondContact O-CA 3.43Å; K140-R155 HydrophobicContact CG-CG 4.49Å
156	Y	82.8	Confident	77.2	Confident	26 Å²	26	79 Å²	79	10%	0.102	40%	0.404	C	S	.	.			trans	-109.8	119.2	176.1	-60.5	-87.7	0	0	0	109.9	I138 V139 S141 H143 K154 T167 Y171	I138-Y156 HydrophobicContact CD1-CD2 4.04Å; I138-Y156 HydrophobicContact CD1-CE2 3.79Å; I138-Y156 HydrophobicContact CG1-CD2 3.94Å; I138-Y156 HydrophobicContact CG1-CE2 4.21Å; I138-Y156 HydrophobicContact CG2-CD2 3.86Å; I138-Y156 HydrophobicContact CG2-CE2 4.43Å; I138-Y156 HydrophobicContact CG2-CG 4.09Å; V139-Y156 PolarHBondContact O-N 2.91Å; S141-Y156 VanDerWaalsContact OG-CE2 3.24Å; S141-Y156 WeakPolarHBondContact OG-CE2 3.43Å; S141-Y156 PolarHBondContact OG-OH 2.93Å; S141-Y156 VanDerWaalsContact OG-OH 3.13Å; H143-Y156 PolarHBondContact NE2-OH 2.93Å; K154-Y156 HydrophobicContact CD-CE1 4.05Å; K154-Y156 HydrophobicContact CG-CE1 4.4Å; Y156-T167 HydrophobicContact CD1-CG2 4.11Å; Y156-Y171 WeakPolarHBondContact OH-CD1 3.4Å
157	T	77.2	Confident	76.4	Confident	38 Å²	38	78.9 Å²	78.9	23%	0.233	40%	0.402	C	S	.	.			trans	-106.9	146.7	169.4	45.5	0	0	0	0	109.4	D163 L165 T167	T157-D163 HydrophobicContact CG2-CB 4.27Å; T157-L165 VanDerWaalsContact CB-O 3.28Å; T157-L165 WeakPolarHBondContact CB-O 3.38Å; T157-L165 PolarHBondContact OG1-O 3.17Å; T157-T167 PolarHBondContact O-N 3.12Å; T157-T167 PolarHBondContact OG1-OG1 3.43Å
158	D	74.1	Confident	75.7	Confident	60 Å²	60	74.9 Å²	74.9	32%	0.321	40%	0.396	S	S	.	.			trans	-133.9	162.9	-179.3	176.3	30.7	0	0	0	108.6	K137 T160 A161	K137-D158 IonicContact NZ-OD2 3.65Å; K137-D158 PolarHBondContact NZ-OD2 3.27Å; D158-T160 PolarHBondContact O-N 3.22Å; D158-T160 VanDerWaalsContact O-N 3.08Å; D158-T160 PolarHBondContact OD2-OG1 3.45Å; D158-A161 WeakPolarHBondContact O-CA 3.29Å; D158-A161 WeakPolarHBondContact O-CB 3.49Å; D158-A161 PolarHBondContact O-N 3.41Å
159	I	75.7	Confident	75	Confident	54 Å²	54	77 Å²	77	28%	0.277	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.4	-179	-45.7	179.2	0	0	0	111.5	P166 R239 L241 P242	I159-P166 HydrophobicContact CG1-CB 3.96Å; I159-P166 HydrophobicContact CG1-CG 4.24Å; I159-R239 PolarHBondContact O-NE 2.95Å; I159-R239 PolarHBondContact O-NH1 3.46Å; I159-L241 HydrophobicContact CB-CD2 3.93Å; I159-L241 HydrophobicContact CG2-CD2 3.55Å; I159-P242 HydrophobicContact CD1-CG 3.97Å
160	T	72.6	Confident	74.7	Confident	12 Å²	12	77.7 Å²	77.7	7%	0.074	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.3	171.7	78	0	0	0	0	114.1	K137 D158 I217 L241 I258	K137-T160 PolarHBondContact NZ-OG1 3.01Å; D158-T160 PolarHBondContact O-N 3.22Å; D158-T160 VanDerWaalsContact O-N 3.08Å; D158-T160 PolarHBondContact OD2-OG1 3.45Å; T160-I217 HydrophobicContact CG2-CD1 4.06Å; T160-L241 HydrophobicContact CG2-CD1 4.3Å; T160-L241 HydrophobicContact CG2-CD2 4.5Å; T160-I258 WeakPolarHBondContact O-CD1 3.27Å
161	A	68.3	Low	74.5	Confident	23 Å²	23	73.6 Å²	73.6	19%	0.19	41%	0.406	C	S	.	.	S	Bend	trans	-83.4	150.7	171.4	0	0	0	0	0	109.9	D158 D163 R239	D158-A161 WeakPolarHBondContact O-CA 3.29Å; D158-A161 WeakPolarHBondContact O-CB 3.49Å; D158-A161 PolarHBondContact O-N 3.41Å; A161-D163 VanDerWaalsContact C-N 3.28Å; A161-D163 PolarHBondContact O-N 3.06Å; A161-R239 PolarHBondContact O-NH1 3.1Å
162	F	66.1	Low	74.3	Confident	36 Å²	36	71.4 Å²	71.4	16%	0.158	39%	0.393	C	S	.	.	S	Bend	trans	-61.5	-36	-178.4	-67.8	-66.4	0	0	0	112.6	T67 I70 P71 A164 V237 I258	T67-F162 HydrophobicContact CG2-CD1 4.18Å; I70-F162 HydrophobicContact CD1-CE1 4.35Å; I70-F162 HydrophobicContact CD1-CZ 4.08Å; I70-F162 HydrophobicContact CG2-CE2 4.05Å; I70-F162 HydrophobicContact CG2-CZ 4.4Å; P71-F162 HydrophobicContact CG-CB 3.85Å; P71-F162 HydrophobicContact CG-CG 4.34Å; F162-A164 PolarHBondContact O-N 3.47Å; F162-V237 HydrophobicContact CE1-CB 4.13Å; F162-V237 HydrophobicContact CE1-CG2 3.83Å; F162-V237 HydrophobicContact CZ-CG2 4.23Å; F162-I258 HydrophobicContact CZ-CG2 4.24Å
163	D	62.4	Low	74.1	Confident	93 Å²	93	77.1 Å²	77.1	50%	0.497	41%	0.414	S	S	.	.	S	Bend	trans	-64.2	125.6	174	-65.6	-38.7	0	0	0	112	T157 A161 L165	T157-D163 HydrophobicContact CG2-CB 4.27Å; A161-D163 VanDerWaalsContact C-N 3.28Å; A161-D163 PolarHBondContact O-N 3.06Å; D163-L165 PolarHBondContact O-N 3.33Å
164	A	56.1	Low	73.9	Confident	77 Å²	77	77.6 Å²	77.6	64%	0.636	42%	0.417	S	S	*	.	S	Bend	trans	-80.7	-5.2	-159.7	0	0	0	0	0	116.5	F162 P166	F162-A164 PolarHBondContact O-N 3.47Å; A164-P166 WeakPolarHBondContact O-CD 3.29Å
165	L	66	Low	73.6	Confident	137 Å²	137	76.1 Å²	76.1	72%	0.717	41%	0.412	S	S	*	.			trans	-99.4	113.4	-178.9	-77.4	86.4	0	0	0	110.8	T157 D163 T167	T157-L165 VanDerWaalsContact CB-O 3.28Å; T157-L165 WeakPolarHBondContact CB-O 3.38Å; T157-L165 PolarHBondContact OG1-O 3.17Å; D163-L165 PolarHBondContact O-N 3.33Å; L165-T167 PolarHBondContact O-N 2.99Å
166	P	66.4	Low	73.4	Confident	80 Å²	80	78.2 Å²	78.2	52%	0.519	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-73.3	121.9	172	29.1	-32.6	0	0	0	110.6	I159 A164	I159-P166 HydrophobicContact CG1-CB 3.96Å; I159-P166 HydrophobicContact CG1-CG 4.24Å; A164-P166 WeakPolarHBondContact O-CD 3.29Å
167	T	70.3	Confident	73.2	Confident	53 Å²	53	82.5 Å²	82.5	33%	0.325	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-81.3	139.7	172.5	-63.2	0	0	0	0	109.7	Y156 T157 L165 A169	Y156-T167 HydrophobicContact CD1-CG2 4.11Å; T157-T167 PolarHBondContact O-N 3.12Å; T157-T167 PolarHBondContact OG1-OG1 3.43Å; L165-T167 PolarHBondContact O-N 2.99Å; T167-A169 PolarHBondContact O-N 3.26Å
168	G	69.6	Low	73.2	Confident	46 Å²	46	88.1 Å²	88.1	47%	0.474	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.5	127.4	175.3	0	0	0	0	0	111.6	F170	G168-F170 PolarHBondContact O-N 2.8Å
169	A	68.6	Low	73.7	Confident	86 Å²	86	86.4 Å²	86.4	71%	0.711	47%	0.467	S	S	*	.	S	Bend	trans	-67.6	4.6	-172.7	0	0	0	0	0	115.5	T167	T167-A169 PolarHBondContact O-N 3.26Å
170	F	78.1	Confident	74.2	Confident	176 Å²	176	87.5 Å²	87.5	77%	0.772	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-82.3	127.9	179.5	-58.8	-72.7	0	0	0	111.3	K154 G168	K154-F170 PolarHBondContact NZ-O 2.82Å; G168-F170 PolarHBondContact O-N 2.8Å
171	Y	82.4	Confident	74.9	Confident	93 Å²	93	88 Å²	88	37%	0.365	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60.9	131.2	163.3	-66.7	-77.9	0	0	0	109.5	I138 H143 Y156 K173 T183	I138-Y171 HydrophobicContact CD1-CE1 3.59Å; I138-Y171 WeakPolarHBondContact CD1-OH 3.37Å; H143-Y171 WeakPolarHBondContact CE1-CB 3.45Å; H143-Y171 AromaticContact CE1-CD1 3.08Å; H143-Y171 WeakPolarHBondContact CE1-CD1 3.3Å; H143-Y171 AromaticContact CE1-CG 3.5Å; H143-Y171 VanDerWaalsContact CE1-CG 3.5Å; H143-Y171 AromaticContact NE2-CD1 3.88Å; Y156-Y171 WeakPolarHBondContact OH-CD1 3.4Å; Y171-K173 PolarHBondContact O-N 2.9Å; Y171-T183 HydrophobicContact CD1-CG2 4.18Å
172	P	81	Confident	75.8	Confident	37 Å²	37	92.8 Å²	92.8	24%	0.24	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-60.8	133.8	166.3	29	-34.7	0	0	0	108.5	H143 K154 L181	H143-P172 VanDerWaalsContact CE1-CD 3.43Å; H143-P172 WeakPolarHBondContact CE1-CD 3.49Å; H143-P172 PolarHBondContact CE1-O 3.29Å; H143-P172 VanDerWaalsContact NE2-CD 3.34Å; H143-P172 WeakPolarHBondContact NE2-CD 3.21Å; K154-P172 HydrophobicContact CD-CG 4.15Å; P172-L181 HydrophobicContact CB-CD1 3.99Å; P172-L181 HydrophobicContact CG-CD1 4.28Å
173	K	82.1	Confident	76.9	Confident	164 Å²	164	92.7 Å²	92.7	71%	0.713	50%	0.5	S	S	*	.			trans	-106.2	-19.8	177.2	-68	-174.7	174.5	-174.8	0	112.8	Y171 P180 L181	Y171-K173 PolarHBondContact O-N 2.9Å; K173-P180 WeakPolarHBondContact O-CA 3.44Å; K173-L181 PolarHBondContact O-N 3.26Å
174	E	83.1	Confident	78.2	Confident	124 Å²	124	91.6 Å²	91.6	58%	0.579	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-134.7	136.5	-172.4	-72.6	164.8	-147.9	0	0	108.2	N179	E174-N179 CarbonylContact C-O 3.58Å; E174-N179 VanDerWaalsContact CA-O 3.29Å; E174-N179 WeakPolarHBondContact CA-O 3.49Å
175	D	77.7	Confident	79.7	Confident	31 Å²	31	95.2 Å²	95.2	17%	0.166	49%	0.491	C	S	.	.			trans	-73.2	173.4	168.6	-103.4	-11.4	0	0	0	111	C145 N177 Q178 N179	C145-D175 VanDerWaalsContact CB-OD2 3.27Å; C145-D175 WeakPolarHBondContact CB-OD2 3.47Å; D175-N177 PolarHBondContact O-N 3Å; D175-Q178 PolarHBondContact O-N 3.24Å; D175-N179 HydrophobicContact CB-CB 4.34Å; D175-N179 PolarHBondContact N-O 3.42Å
176	E	81	Confident	80.8	Confident	197 Å²	197	92.4 Å²	92.4	92%	0.921	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.5	175.2	-62.6	-177.1	156.1	0	0	113.7
177	N	77.3	Confident	81.8	Confident	115 Å²	115	93.4 Å²	93.4	62%	0.615	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	8.2	178.5	-63.7	-28.7	0	0	0	114.3	D175 N179	D175-N177 PolarHBondContact O-N 3Å; N177-N179 PolarHBondContact O-N 2.84Å; N177-N179 PolarHBondContact O-OD1 3.42Å
178	Q	79.1	Confident	82.7	Confident	156 Å²	156	91.4 Å²	91.4	73%	0.729	48%	0.484	S	S	*	.	S	Bend	trans	67.1	14.4	-171.8	-55.9	-179.3	-17.4	0	0	115.2	D175	D175-Q178 PolarHBondContact O-N 3.24Å
179	N	84	Confident	83.6	Confident	25 Å²	25	93.5 Å²	93.5	13%	0.134	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-74.8	137.7	178	-65	18.3	0	0	0	110.5	C145 E147 E174 D175 N177	C145-N179 VanDerWaalsContact SG-CB 3.57Å; E147-N179 WeakPolarHBondContact CB-ND2 3.47Å; E147-N179 PolarHBondContact OE2-ND2 2.81Å; E174-N179 CarbonylContact C-O 3.58Å; E174-N179 VanDerWaalsContact CA-O 3.29Å; E174-N179 WeakPolarHBondContact CA-O 3.49Å; D175-N179 HydrophobicContact CB-CB 4.34Å; D175-N179 PolarHBondContact N-O 3.42Å; N177-N179 PolarHBondContact O-N 2.84Å; N177-N179 PolarHBondContact O-OD1 3.42Å
180	P	85.8	Confident	84.6	Confident	76 Å²	76	94 Å²	94	49%	0.494	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-64.6	137.8	179.5	27.1	-34.4	0	0	0	111.7	K173	K173-P180 WeakPolarHBondContact O-CA 3.44Å
181	L	86.6	Confident	85.1	Confident	22 Å²	22	87.7 Å²	87.7	12%	0.115	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-103.6	129.1	176.3	-76.6	170.1	0	0	0	111.3	H143 C145 P172 K173	H143-L181 HydrophobicContact CB-CB 4.26Å; H143-L181 HydrophobicContact CB-CD1 4.41Å; H143-L181 HydrophobicContact CB-CD2 3.97Å; H143-L181 HydrophobicContact CB-CG 4.46Å; C145-L181 HydrophobicContact CB-CD2 3.83Å; P172-L181 HydrophobicContact CB-CD1 3.99Å; P172-L181 HydrophobicContact CG-CD1 4.28Å; K173-L181 PolarHBondContact O-N 3.26Å
182	E	88.1	Confident	85.5	Confident	125 Å²	125	87 Å²	87	58%	0.584	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.2	170.7	-63.3	-169.2	155	0	0	110.2	H143 Y144	H143-E182 CarbonylContact C-O 3.52Å; H143-E182 VanDerWaalsContact CA-O 3.25Å; H143-E182 WeakPolarHBondContact CA-O 3.48Å; Y144-E182 PolarHBondContact N-O 3.38Å; Y144-E182 PolarHBondContact O-N 3.07Å
183	T	88.5	Confident	85.9	Confident	33 Å²	33	86.3 Å²	86.3	20%	0.202	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.8	177.4	45.7	0	0	0	0	111.5	H143 Y171 Y185	H143-T183 WeakPolarHBondContact CE1-CG2 3.27Å; H143-T183 WeakPolarHBondContact ND1-CG2 3.39Å; Y171-T183 HydrophobicContact CD1-CG2 4.18Å; T183-Y185 WeakPolarHBondContact O-CD2 3.1Å; T183-Y185 PolarHBondContact O-N 3.44Å; T183-Y185 VanDerWaalsContact O-N 3.07Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.24Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.38Å; T183-Y185 PolarHBondContact OG1-OH 3.36Å
184	E	89.6	Confident	86.3	Confident	71 Å²	71	78.8 Å²	78.8	33%	0.332	40%	0.4	S	S	.	.			trans	-84.1	80.6	175.5	-67.8	-165.7	151.6	0	0	110.9	V142 G186 L187 C188	V142-E184 PolarHBondContact O-N 3.34Å; E184-G186 PolarHBondContact O-N 2.88Å; E184-L187 PolarHBondContact O-N 3.15Å; E184-L187 WeakPolarHBondContact OE2-CD1 3.45Å; E184-C188 PolarHBondContact O-N 2.8Å; E184-C188 PolarHBondContact O-SG 2.87Å; E184-C188 VanDerWaalsContact O-SG 3.41Å
185	Y	89.3	Confident	86.6	Confident	152 Å²	152	76.2 Å²	76.2	60%	0.596	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.1	-176.5	-63	-74.2	0	0	0	114.9	T183 L187 C188	T183-Y185 WeakPolarHBondContact O-CD2 3.1Å; T183-Y185 PolarHBondContact O-N 3.44Å; T183-Y185 VanDerWaalsContact O-N 3.07Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.24Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.38Å; T183-Y185 PolarHBondContact OG1-OH 3.36Å; Y185-L187 VanDerWaalsContact C-N 3.33Å; Y185-C188 WeakPolarHBondContact O-CB 3.26Å; Y185-C188 PolarHBondContact O-N 3.32Å
186	G	89	Confident	87.2	Confident	79 Å²	79	75 Å²	75	81%	0.814	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-21.2	177.9	0	0	0	0	0	114.9	E184	E184-G186 PolarHBondContact O-N 2.88Å
187	L	87.6	Confident	87.7	Confident	100 Å²	100	66.5 Å²	66.5	52%	0.524	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-11.2	175	-58.6	-175.4	0	0	0	112.6	V142 E184 Y185	V142-L187 HydrophobicContact CB-CB 3.89Å; V142-L187 HydrophobicContact CG1-CB 4.25Å; V142-L187 HydrophobicContact CG1-CD1 4.2Å; V142-L187 HydrophobicContact CG2-CB 3.78Å; E184-L187 PolarHBondContact O-N 3.15Å; E184-L187 WeakPolarHBondContact OE2-CD1 3.45Å; Y185-L187 VanDerWaalsContact C-N 3.33Å
188	C	88.7	Confident	88.4	Confident	12 Å²	12	61 Å²	61	8%	0.081	31%	0.313	C	S	.	.			trans	-63	140.3	170.8	-67	0	0	0	0	111.1	K140 V142 E184 Y185 Y190	K140-C188 CarbonylContact O-C 3.41Å; K140-C188 VanDerWaalsContact O-CA 3.29Å; K140-C188 WeakPolarHBondContact O-CA 3.34Å; V142-C188 PolarHBondContact N-SG 2.69Å; E184-C188 PolarHBondContact O-N 2.8Å; E184-C188 PolarHBondContact O-SG 2.87Å; E184-C188 VanDerWaalsContact O-SG 3.41Å; Y185-C188 WeakPolarHBondContact O-CB 3.26Å; Y185-C188 PolarHBondContact O-N 3.32Å; C188-Y190 HydrophobicContact CB-CE2 3.59Å; C188-Y190 WeakPolarHBondContact CB-OH 3.26Å
189	K	88.3	Confident	88.9	Confident	89 Å²	89	56.4 Å²	56.4	39%	0.387	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127	176.7	-61.1	-169.8	178.5	-176.4	0	110.7	E93 V139 K140	E93-K189 WeakPolarHBondContact OE2-CD 3.38Å; E93-K189 WeakPolarHBondContact OE2-CE 3.47Å; E93-K189 IonicContact OE2-NZ 2.71Å; E93-K189 PolarHBondContact OE2-NZ 3.16Å; V139-K189 PolarHBondContact N-O 3.41Å; K140-K189 HydrophobicContact CB-CB 4.18Å; K140-K189 PolarHBondContact N-O 3.48Å; K140-K189 PolarHBondContact O-N 3.32Å
190	Y	88.8	Confident	89.1	Confident	98 Å²	98	55.6 Å²	55.6	38%	0.384	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.8	176	-53.2	-86.3	0	0	0	109.1	K137 I138 C188	K137-Y190 CarbonylContact O-C 3.44Å; K137-Y190 WeakPolarHBondContact O-CA 3.33Å; I138-Y190 HydrophobicContact CB-CD1 4.05Å; I138-Y190 HydrophobicContact CB-CE1 4.08Å; I138-Y190 HydrophobicContact CD1-CE1 4.08Å; I138-Y190 HydrophobicContact CG1-CD1 4.25Å; I138-Y190 HydrophobicContact CG1-CE1 4.04Å; C188-Y190 HydrophobicContact CB-CE2 3.59Å; C188-Y190 WeakPolarHBondContact CB-OH 3.26Å
191	K	88.2	Confident	88.9	Confident	43 Å²	43	52.8 Å²	52.8	19%	0.187	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.5	169.5	66.3	175.6	-176.9	169.4	0	108.9	K137 V139 D219	K137-K191 HydrophobicContact CB-CG 4.05Å; K137-K191 HydrophobicContact CG-CG 4.45Å; K137-K191 PolarHBondContact N-O 3.29Å; K137-K191 PolarHBondContact O-N 2.88Å; V139-K191 HydrophobicContact CG2-CB 3.99Å; V139-K191 HydrophobicContact CG2-CD 3.85Å; V139-K191 HydrophobicContact CG2-CG 3.7Å; K191-D219 IonicContact NZ-OD1 3.58Å; K191-D219 IonicContact NZ-OD2 3.77Å; K191-D219 PolarHBondContact NZ-OD2 3.26Å
192	D	91.5	Very high	88.4	Confident	79 Å²	79	55 Å²	55	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	143.1	174.7	-60.7	-45.5	0	0	0	110.5	I134 D219 S220 T223	I134-D192 HydrophobicContact CG2-CB 3.85Å; D192-D219 CarbonylContact O-C 3.58Å; D192-D219 WeakPolarHBondContact O-CA 3.14Å; D192-S220 PolarHBondContact O-N 3.04Å; D192-T223 HydrophobicContact CB-CG2 3.9Å
193	H	89.9	Confident	87.6	Confident	21 Å²	21	53.2 Å²	53.2	10%	0.097	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.4	-176.5	-179.7	74.3	0	0	0	109.4	Y135 K137 I217 D219	Y135-H193 PolarHBondContact N-O 3.36Å; Y135-H193 WeakPolarHBondContact O-CB 3.46Å; Y135-H193 PolarHBondContact O-N 2.91Å; K137-H193 HydrophobicContact CB-CB 3.95Å; K137-H193 HydrophobicContact CD-CB 4.45Å; H193-I217 WeakPolarHBondContact CE1-CG2 3.43Å; H193-D219 IonicContact CE1-OD1 2.84Å; H193-D219 IonicContact CG-OD1 3.7Å; H193-D219 IonicContact ND1-OD1 3.98Å; H193-D219 PolarHBondContact ND1-OD1 3Å
194	Q	89.3	Confident	86.9	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.028	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.1	179.4	-171.3	178	30.3	0	0	110.5	S132 I134 L196 L218 T223	S132-Q194 PolarHBondContact O-NE2 3.35Å; I134-Q194 HydrophobicContact CG1-CB 4.42Å; I134-Q194 HydrophobicContact CG1-CG 4.33Å; Q194-L196 HydrophobicContact CG-CD2 4.21Å; Q194-L218 HydrophobicContact CB-CB 4.41Å; Q194-L218 PolarHBondContact N-O 3.36Å; Q194-L218 PolarHBondContact O-N 3.46Å; Q194-T223 HydrophobicContact CB-CG2 3.75Å
195	K	90.3	Very high	86.1	Confident	71 Å²	71	52.9 Å²	52.9	31%	0.309	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	173.1	-60.8	174.2	-174.8	167.2	0	109.5	S132	S132-K195 VanDerWaalsContact CB-O 3.24Å; S132-K195 WeakPolarHBondContact CB-O 3.37Å; S132-K195 PolarHBondContact N-O 2.81Å
196	L	90.8	Very high	85.4	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.2	174	-60.1	-174.5	0	0	0	110.4	V128 K130 Q194 E215 V216 L218 C226	V128-L196 HydrophobicContact CG1-CB 4.42Å; V128-L196 HydrophobicContact CG1-CD1 4.35Å; V128-L196 HydrophobicContact CG1-CD2 4.26Å; V128-L196 HydrophobicContact CG2-CD1 4.29Å; K130-L196 WeakPolarHBondContact O-CA 3.22Å; Q194-L196 HydrophobicContact CG-CD2 4.21Å; L196-E215 WeakPolarHBondContact O-CA 3.19Å; L196-V216 HydrophobicContact CB-CB 4.5Å; L196-V216 PolarHBondContact N-O 3.23Å; L196-V216 PolarHBondContact O-N 3.31Å; L196-L218 HydrophobicContact CD1-CD1 3.51Å; L196-L218 HydrophobicContact CD1-CG 4.07Å; L196-L218 HydrophobicContact CG-CD1 4.1Å; L196-L218 HydrophobicContact CG-CG 4.3Å; L196-C226 HydrophobicContact CD1-CB 4.01Å
197	S	91.5	Very high	84.7	Confident	18 Å²	18	51.5 Å²	51.5	13%	0.126	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.3	167.6	170.6	0	0	0	0	109.4	T129 K130	T129-S197 PolarHBondContact N-O 3.45Å; T129-S197 PolarHBondContact OG1-O 3.2Å; T129-S197 PolarHBondContact OG1-OG 2.94Å; K130-S197 PolarHBondContact O-N 3.46Å
198	M	91.6	Very high	84	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.7	177.3	-178.2	175.6	68	0	0	110.1	P110 C124 I127 S213 V214 V216 I232 A234	P110-M198 HydrophobicContact CG-CE 4.46Å; C124-M198 HydrophobicContact CB-CE 3.55Å; I127-M198 CarbonylContact O-C 3.21Å; I127-M198 WeakPolarHBondContact O-CA 3.37Å; M198-S213 CarbonylContact O-C 3.59Å; M198-S213 WeakPolarHBondContact O-CA 3.35Å; M198-V214 PolarHBondContact N-O 3.48Å; M198-V214 PolarHBondContact O-N 3.3Å; M198-V216 HydrophobicContact CB-CG2 3.89Å; M198-V216 HydrophobicContact CE-CG2 4.08Å; M198-V216 HydrophobicContact SD-CG2 4.47Å; M198-I232 HydrophobicContact CG-CD1 4.29Å; M198-I232 HydrophobicContact CG-CG1 4.28Å; M198-I232 HydrophobicContact SD-CD1 3.71Å; M198-I232 HydrophobicContact SD-CG1 3.7Å; M198-A234 HydrophobicContact CE-CB 4.42Å; M198-A234 HydrophobicContact SD-CB 4.34Å
199	Q	90	Very high	83.7	Confident	58 Å²	58	56.2 Å²	56.2	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.1	178.7	-171.4	171.2	39.1	0	0	111.4	G126 I127 T129 P211 R212	G126-Q199 CarbonylContact C-O 3.56Å; G126-Q199 WeakPolarHBondContact CA-O 3.21Å; I127-Q199 PolarHBondContact N-O 2.81Å; I127-Q199 PolarHBondContact O-N 2.88Å; T129-Q199 HydrophobicContact CG2-CB 3.56Å; T129-Q199 HydrophobicContact CG2-CG 4.49Å; Q199-P211 HydrophobicContact CG-CB 3.9Å; Q199-P211 PolarHBondContact NE2-O 3.21Å; Q199-R212 WeakPolarHBondContact CA-O 3.44Å; Q199-R212 WeakPolarHBondContact CG-O 3.38Å
200	E	88.2	Confident	83.3	Confident	8 Å²	8	59 Å²	59	4%	0.037	33%	0.334	C	S	.	.			trans	-48.5	145.6	169.4	-72	161.9	-134.2	0	0	112.6	P110 R111 P211 R212	P110-E200 HydrophobicContact CB-CG 4.01Å; P110-E200 HydrophobicContact CG-CG 4.11Å; R111-E200 HydrophobicContact CB-CG 4.41Å; R111-E200 VanDerWaalsContact CB-OE1 3.32Å; R111-E200 WeakPolarHBondContact CB-OE1 3.3Å; R111-E200 IonicContact CZ-OE1 3.71Å; R111-E200 IonicContact CZ-OE2 3.41Å; R111-E200 VanDerWaalsContact CZ-OE2 3.22Å; R111-E200 PolarHBondContact N-OE1 3.39Å; R111-E200 IonicContact NE-OE1 2.85Å; R111-E200 PolarHBondContact NE-OE1 2.91Å; R111-E200 IonicContact NE-OE2 2.68Å; R111-E200 PolarHBondContact NE-OE2 3.44Å; R111-E200 IonicContact NH2-OE1 3.32Å; R111-E200 IonicContact NH2-OE2 3.71Å; R111-E200 PolarHBondContact NH2-OE2 3.13Å; E200-P211 HydrophobicContact CB-CB 4.03Å; E200-R212 PolarHBondContact N-O 2.79Å; E200-R212 VanDerWaalsContact N-O 3.15Å; E200-R212 WeakPolarHBondContact OE1-CA 3.32Å; E200-R212 WeakPolarHBondContact OE1-CB 3.31Å; E200-R212 WeakPolarHBondContact OE1-CG 3.39Å; E200-R212 PolarHBondContact OE1-N 3.25Å
201	L	81.8	Confident	83.1	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.089	33%	0.33	C	S	.	.			trans	-65.4	135.4	170.4	-65.4	93.1	0	0	0	109.7	E125 I127 E203 T204 A205 R231	E125-L201 HydrophobicContact CB-CD1 4.13Å; I127-L201 HydrophobicContact CG1-CG 4.43Å; L201-E203 PolarHBondContact O-N 3.25Å; L201-T204 PolarHBondContact O-N 3.09Å; L201-A205 PolarHBondContact O-N 3.42Å; L201-A205 VanDerWaalsContact O-N 3.13Å; L201-R231 HydrophobicContact CD2-CG 4.3Å
202	P	74.2	Confident	83.1	Confident	69 Å²	69	62 Å²	62	45%	0.448	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25	-177.3	27	-35.5	0	0	0	112.8	I127 T204	I127-P202 HydrophobicContact CD1-CG 4.45Å; P202-T204 VanDerWaalsContact C-N 3.3Å; P202-T204 PolarHBondContact O-N 3.32Å
203	E	71.3	Confident	83.1	Confident	87 Å²	87	61.8 Å²	61.8	41%	0.407	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.7	174.7	-67.5	163.7	-139.2	0	0	112.5	L201 R231	L201-E203 PolarHBondContact O-N 3.25Å; E203-R231 IonicContact OE1-CZ 3.38Å; E203-R231 IonicContact OE1-NH1 3.5Å; E203-R231 PolarHBondContact OE1-NH1 3.42Å; E203-R231 IonicContact OE1-NH2 2.75Å; E203-R231 PolarHBondContact OE1-NH2 3.3Å; E203-R231 IonicContact OE2-NH1 3.62Å
204	T	74	Confident	83.2	Confident	77 Å²	77	61.3 Å²	61.3	47%	0.472	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.6	-177.8	-35.7	0	0	0	0	112.4	N109 L201 P202	N109-T204 WeakPolarHBondContact ND2-CG2 3.27Å; L201-T204 PolarHBondContact O-N 3.09Å; P202-T204 VanDerWaalsContact C-N 3.3Å; P202-T204 PolarHBondContact O-N 3.32Å
205	A	72.8	Confident	83.3	Confident	20 Å²	20	64.4 Å²	64.4	17%	0.165	37%	0.367	C	S	.	.	S	Bend	trans	-75.2	125.1	178.9	0	0	0	0	0	110.4	L201 T207 P211	L201-A205 PolarHBondContact O-N 3.42Å; L201-A205 VanDerWaalsContact O-N 3.13Å; A205-T207 PolarHBondContact O-N 3.23Å; A205-P211 HydrophobicContact CB-CB 4.28Å
206	P	75.9	Confident	83.4	Confident	58 Å²	58	61 Å²	61	38%	0.377	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-64	134.7	175.7	26.7	-34.2	0	0	0	110.6	R111 Q209	R111-P206 VanDerWaalsContact CZ-CD 3.5Å; R111-P206 VanDerWaalsContact NH1-CG 3.33Å; P206-Q209 HydrophobicContact CG-CB 4.45Å; P206-Q209 PolarHBondContact O-N 2.88Å
207	T	73	Confident	83.5	Confident	144 Å²	144	61.2 Å²	61.2	88%	0.883	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	141.9	-177.1	48.9	0	0	0	0	111.9	A205 Q209	A205-T207 PolarHBondContact O-N 3.23Å; T207-Q209 VanDerWaalsContact C-N 3.3Å; T207-Q209 PolarHBondContact O-N 3.46Å
208	G	74.5	Confident	83.6	Confident	92 Å²	92	60.3 Å²	60.3	95%	0.948	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-2.1	-179	0	0	0	0	0	115.8
209	Q	82.2	Confident	83.4	Confident	120 Å²	120	61.9 Å²	61.9	56%	0.561	36%	0.355	S	S	*	.	S	Bend	trans	-112.2	143.4	173.8	-59.4	-169.6	14.8	0	0	111.9	P206 T207	P206-Q209 HydrophobicContact CG-CB 4.45Å; P206-Q209 PolarHBondContact O-N 2.88Å; T207-Q209 VanDerWaalsContact C-N 3.3Å; T207-Q209 PolarHBondContact O-N 3.46Å
210	L	80.1	Confident	83.2	Confident	148 Å²	148	60.7 Å²	60.7	78%	0.775	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-64.8	129.8	174.3	-65.2	171.2	0	0	0	110	R111	R111-L210 PolarHBondContact NH2-O 2.9Å
211	P	83.7	Confident	83.1	Confident	44 Å²	44	63.1 Å²	63.1	29%	0.286	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.5	175.9	7.2	2.8	0	0	0	110	Q199 E200 A205	Q199-P211 HydrophobicContact CG-CB 3.9Å; Q199-P211 PolarHBondContact NE2-O 3.21Å; E200-P211 HydrophobicContact CB-CB 4.03Å; A205-P211 HydrophobicContact CB-CB 4.28Å
212	R	89.5	Confident	83.4	Confident	159 Å²	159	62.3 Å²	62.3	60%	0.6	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-77.8	151.6	-178.9	-55.2	-60.8	-174.7	164.6	-0.8	111.3	Q199 E200	Q199-R212 WeakPolarHBondContact CA-O 3.44Å; Q199-R212 WeakPolarHBondContact CG-O 3.38Å; E200-R212 PolarHBondContact N-O 2.79Å; E200-R212 VanDerWaalsContact N-O 3.15Å; E200-R212 WeakPolarHBondContact OE1-CA 3.32Å; E200-R212 WeakPolarHBondContact OE1-CB 3.31Å; E200-R212 WeakPolarHBondContact OE1-CG 3.39Å; E200-R212 PolarHBondContact OE1-N 3.25Å
213	S	90.6	Very high	84	Confident	74 Å²	74	60.1 Å²	60.1	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.3	174.1	53.3	0	0	0	0	111	M198	M198-S213 CarbonylContact O-C 3.59Å; M198-S213 WeakPolarHBondContact O-CA 3.35Å
214	V	91.5	Very high	84.7	Confident	12 Å²	12	61.8 Å²	61.8	7%	0.073	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.8	172.7	165.3	0	0	0	0	107.9	P110 L113 M198 L257	P110-V214 HydrophobicContact CB-CB 4.39Å; P110-V214 HydrophobicContact CB-CG2 3.83Å; L113-V214 HydrophobicContact CD1-CG1 4.19Å; L113-V214 HydrophobicContact CD1-CG2 3.98Å; M198-V214 PolarHBondContact N-O 3.48Å; M198-V214 PolarHBondContact O-N 3.3Å; V214-L257 HydrophobicContact CG1-CB 4.22Å
215	E	92.1	Very high	85.2	Confident	70 Å²	70	62.9 Å²	62.9	33%	0.327	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.8	176.3	-65.7	174.8	168.2	0	0	110.5	L196 R254 V256 L257	L196-E215 WeakPolarHBondContact O-CA 3.19Å; E215-R254 IonicContact OE1-CZ 3.8Å; E215-R254 IonicContact OE1-NE 2.8Å; E215-R254 PolarHBondContact OE1-NE 2.95Å; E215-R254 IonicContact OE1-NH2 3.3Å; E215-R254 PolarHBondContact OE1-NH2 3Å; E215-R254 IonicContact OE2-CZ 2.71Å; E215-R254 IonicContact OE2-NE 2.66Å; E215-R254 PolarHBondContact OE2-NE 3.15Å; E215-R254 IonicContact OE2-NH2 3.83Å; E215-R254 PolarHBondContact OE2-NH2 2.86Å; E215-V256 HydrophobicContact CB-CG1 4.38Å; E215-L257 PolarHBondContact O-N 2.8Å
216	V	93	Very high	85.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.4	180	-172	0	0	0	0	108.3	L196 M198 L218 A234 L257 A259	L196-V216 HydrophobicContact CB-CB 4.5Å; L196-V216 PolarHBondContact N-O 3.23Å; L196-V216 PolarHBondContact O-N 3.31Å; M198-V216 HydrophobicContact CB-CG2 3.89Å; M198-V216 HydrophobicContact CE-CG2 4.08Å; M198-V216 HydrophobicContact SD-CG2 4.47Å; V216-L218 HydrophobicContact CG1-CD2 3.88Å; V216-A234 HydrophobicContact CG1-CB 4.25Å; V216-L257 CarbonylContact C-O 3.53Å; V216-L257 WeakPolarHBondContact CA-O 3.47Å; V216-L257 HydrophobicContact CG1-CD2 4.5Å; V216-L257 HydrophobicContact CG2-CB 4.37Å; V216-L257 HydrophobicContact CG2-CD2 4.25Å; V216-A259 HydrophobicContact CG1-CB 3.75Å
217	I	92.8	Very high	86	Confident	9 Å²	9	62.2 Å²	62.2	5%	0.046	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.8	176.2	-68.6	175.1	0	0	0	108.4	T160 H193 V256 L257 A259	T160-I217 HydrophobicContact CG2-CD1 4.06Å; H193-I217 WeakPolarHBondContact CE1-CG2 3.43Å; I217-V256 HydrophobicContact CD1-CB 4.01Å; I217-V256 HydrophobicContact CD1-CG1 4.21Å; I217-V256 HydrophobicContact CD1-CG2 3.97Å; I217-V256 HydrophobicContact CG1-CB 4.48Å; I217-L257 PolarHBondContact N-O 3.1Å; I217-A259 WeakPolarHBondContact O-CB 3.47Å; I217-A259 PolarHBondContact O-N 3.49Å
218	L	92.2	Very high	86.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.3	173.3	-52.7	-166.2	0	0	0	109.2	Q194 L196 V216 L222 A259 V262	Q194-L218 HydrophobicContact CB-CB 4.41Å; Q194-L218 PolarHBondContact N-O 3.36Å; Q194-L218 PolarHBondContact O-N 3.46Å; L196-L218 HydrophobicContact CD1-CD1 3.51Å; L196-L218 HydrophobicContact CD1-CG 4.07Å; L196-L218 HydrophobicContact CG-CD1 4.1Å; L196-L218 HydrophobicContact CG-CG 4.3Å; V216-L218 HydrophobicContact CG1-CD2 3.88Å; L218-L222 HydrophobicContact CB-CB 3.85Å; L218-L222 HydrophobicContact CD1-CB 4.28Å; L218-L222 WeakPolarHBondContact CD1-O 3.35Å; L218-L222 HydrophobicContact CD2-CB 4.32Å; L218-L222 HydrophobicContact CD2-CD1 4.25Å; L218-L222 HydrophobicContact CG-CB 4.38Å; L218-A259 HydrophobicContact CD2-CB 3.47Å; L218-A259 VanDerWaalsContact CD2-CB 3.47Å; L218-V262 HydrophobicContact CD2-CG2 3.64Å
219	D	89	Confident	86.8	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.5	175.4	-82.9	-6.1	0	0	0	110.6	K191 D192 H193 L222	K191-D219 IonicContact NZ-OD1 3.58Å; K191-D219 IonicContact NZ-OD2 3.77Å; K191-D219 PolarHBondContact NZ-OD2 3.26Å; D192-D219 CarbonylContact O-C 3.58Å; D192-D219 WeakPolarHBondContact O-CA 3.14Å; H193-D219 IonicContact CE1-OD1 2.84Å; H193-D219 IonicContact CG-OD1 3.7Å; H193-D219 IonicContact ND1-OD1 3.98Å; H193-D219 PolarHBondContact ND1-OD1 3Å; D219-L222 PolarHBondContact O-N 3.16Å
220	S	85.9	Confident	86.8	Confident	33 Å²	33	47.1 Å²	47.1	23%	0.231	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	50.9	-135	176.9	-54.8	0	0	0	0	112.3	D192 L222 T223	D192-S220 PolarHBondContact O-N 3.04Å; S220-L222 PolarHBondContact O-N 3.41Å; S220-T223 WeakPolarHBondContact O-CG2 3.46Å; S220-T223 PolarHBondContact O-N 3.38Å; S220-T223 PolarHBondContact O-OG1 2.74Å; S220-T223 VanDerWaalsContact O-OG1 3.05Å
221	D	86.1	Confident	87	Confident	59 Å²	59	41.5 Å²	41.5	32%	0.316	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-53.4	-5	-179	158.9	67.4	0	0	0	116.2	R43 R225	R43-D221 IonicContact CZ-OD2 3.8Å; R43-D221 IonicContact NE-OD2 3.99Å; R43-D221 PolarHBondContact NE-OD2 2.87Å; R43-D221 IonicContact NH2-OD2 2.82Å; R43-D221 PolarHBondContact NH2-OD2 2.69Å; D221-R225 PolarHBondContact O-NE 3.32Å; D221-R225 IonicContact OD1-CZ 3.5Å; D221-R225 IonicContact OD1-NE 3.37Å; D221-R225 IonicContact OD1-NH2 2.74Å; D221-R225 PolarHBondContact OD1-NH2 3.05Å; D221-R225 IonicContact OD2-CZ 3.47Å; D221-R225 IonicContact OD2-NH2 3.18Å; D221-R225 PolarHBondContact OD2-NH2 2.87Å
222	L	86.9	Confident	87.3	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-79.3	-22.4	167.2	-68.3	-179.3	0	0	0	114.2	R43 L218 D219 S220 R225 A259 V262	R43-L222 VanDerWaalsContact CZ-CD2 3.43Å; R43-L222 VanDerWaalsContact NH1-CG 3.29Å; L218-L222 HydrophobicContact CB-CB 3.85Å; L218-L222 HydrophobicContact CD1-CB 4.28Å; L218-L222 WeakPolarHBondContact CD1-O 3.35Å; L218-L222 HydrophobicContact CD2-CB 4.32Å; L218-L222 HydrophobicContact CD2-CD1 4.25Å; L218-L222 HydrophobicContact CG-CB 4.38Å; D219-L222 PolarHBondContact O-N 3.16Å; S220-L222 PolarHBondContact O-N 3.41Å; L222-R225 WeakPolarHBondContact O-CB 3.36Å; L222-R225 WeakPolarHBondContact O-CG 3.49Å; L222-R225 PolarHBondContact O-N 2.66Å; L222-A259 HydrophobicContact CD1-CB 3.95Å; L222-A259 WeakPolarHBondContact CD1-O 3.41Å; L222-V262 HydrophobicContact CD1-CG2 4.23Å; L222-V262 HydrophobicContact CD2-CG2 4.36Å
223	T	87.4	Confident	87.3	Confident	22 Å²	22	33.1 Å²	33.1	14%	0.135	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	145.2	-175.8	59.4	0	0	0	0	111.6	I134 D192 Q194 S220 R225	I134-T223 HydrophobicContact CG2-CG2 4.25Å; D192-T223 HydrophobicContact CB-CG2 3.9Å; Q194-T223 HydrophobicContact CB-CG2 3.75Å; S220-T223 WeakPolarHBondContact O-CG2 3.46Å; S220-T223 PolarHBondContact O-N 3.38Å; S220-T223 PolarHBondContact O-OG1 2.74Å; S220-T223 VanDerWaalsContact O-OG1 3.05Å; T223-R225 PolarHBondContact O-N 3.29Å; T223-R225 VanDerWaalsContact O-N 3.08Å
224	D	86.2	Confident	87.4	Confident	123 Å²	123	29.6 Å²	29.6	66%	0.658	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	4	-175.9	-140	32.9	0	0	0	116.6	I134 C226	I134-D224 HydrophobicContact CD1-CB 3.78Å; D224-C226 PolarHBondContact O-N 2.87Å
225	R	84.7	Confident	87.4	Confident	99 Å²	99	29 Å²	29	37%	0.374	15%	0.151	S	C	.	.	S	Bend	trans	-67.8	-16.6	175.7	-70.7	-168	177.3	-153.1	-7.5	114.2	D221 L222 T223 L264	D221-R225 PolarHBondContact O-NE 3.32Å; D221-R225 IonicContact OD1-CZ 3.5Å; D221-R225 IonicContact OD1-NE 3.37Å; D221-R225 IonicContact OD1-NH2 2.74Å; D221-R225 PolarHBondContact OD1-NH2 3.05Å; D221-R225 IonicContact OD2-CZ 3.47Å; D221-R225 IonicContact OD2-NH2 3.18Å; D221-R225 PolarHBondContact OD2-NH2 2.87Å; L222-R225 WeakPolarHBondContact O-CB 3.36Å; L222-R225 WeakPolarHBondContact O-CG 3.49Å; L222-R225 PolarHBondContact O-N 2.66Å; T223-R225 PolarHBondContact O-N 3.29Å; T223-R225 VanDerWaalsContact O-N 3.08Å; R225-L264 WeakPolarHBondContact O-CD1 3.43Å
226	C	84.1	Confident	87.4	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.027	14%	0.136	C	C	.	.			trans	-133.2	127.7	-171.5	-54.1	0	0	0	0	111.4	V128 L196 D224 I232 V262	V128-C226 HydrophobicContact CG2-CB 4.13Å; L196-C226 HydrophobicContact CD1-CB 4.01Å; D224-C226 PolarHBondContact O-N 2.87Å; C226-I232 HydrophobicContact CB-CG2 4.12Å; C226-V262 WeakPolarHBondContact SG-CG1 3.27Å
227	S	81.6	Confident	87.3	Confident	60 Å²	60	25.7 Å²	25.7	42%	0.42	14%	0.135	S	C	.	.			trans	-97.4	150.5	176.1	72.1	0	0	0	0	111.9	G229 D230	S227-G229 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact N-OD2 3.49Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-OD2 2.8Å
228	P	83.9	Confident	87.3	Confident	10 Å²	10	25.9 Å²	25.9	7%	0.065	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124	168.9	-28.6	37.5	0	0	0	111.5	V128 S131 A391 V395	V128-P228 CarbonylContact O-C 3.58Å; V128-P228 WeakPolarHBondContact O-CA 2.82Å; S131-P228 WeakPolarHBondContact OG-CG 3.42Å; P228-A391 HydrophobicContact CB-CB 3.62Å; P228-V395 WeakPolarHBondContact O-CG1 3.24Å
229	G	78.5	Confident	87.2	Confident	4 Å²	4	27.8 Å²	27.8	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	-8	-172.5	0	0	0	0	0	115.7	V128 S227 R360	V128-G229 PolarHBondContact O-N 3.17Å; S227-G229 PolarHBondContact O-N 3.24Å; G229-R360 PolarHBondContact O-NH2 3.05Å
230	D	83.1	Confident	87.1	Confident	26 Å²	26	28.2 Å²	28.2	14%	0.139	15%	0.148	C	C	.	.			trans	-76.6	138.4	170.6	-82	-54.8	0	0	0	112.4	I127 V128 S227 I232 L264 S266	I127-D230 WeakPolarHBondContact CA-O 3.44Å; V128-D230 PolarHBondContact N-O 3.36Å; S227-D230 PolarHBondContact N-OD2 3.49Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-OD2 2.8Å; D230-I232 HydrophobicContact CB-CG2 4.4Å; D230-L264 HydrophobicContact CB-CD2 3.73Å; D230-S266 PolarHBondContact OD1-OG 2.91Å
231	R	84.5	Confident	87	Confident	30 Å²	30	28.1 Å²	28.1	11%	0.113	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119	165	-71.4	174.9	-170.3	-150.9	-1.9	108.3	G126 I127 L201 E203 M265 P359	G126-R231 CarbonylContact O-C 3.6Å; G126-R231 WeakPolarHBondContact O-CA 3.29Å; I127-R231 HydrophobicContact CD1-CG 4.31Å; I127-R231 HydrophobicContact CG1-CG 3.77Å; L201-R231 HydrophobicContact CD2-CG 4.3Å; E203-R231 IonicContact OE1-CZ 3.38Å; E203-R231 IonicContact OE1-NH1 3.5Å; E203-R231 PolarHBondContact OE1-NH1 3.42Å; E203-R231 IonicContact OE1-NH2 2.75Å; E203-R231 PolarHBondContact OE1-NH2 3.3Å; E203-R231 IonicContact OE2-NH1 3.62Å; R231-M265 HydrophobicContact CB-CB 4.07Å; R231-M265 PolarHBondContact O-N 2.86Å; R231-P359 PolarHBondContact NH1-O 2.78Å
232	I	89.3	Confident	86.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151	-179.5	60.5	162.8	0	0	0	111.5	G126 V128 M198 C226 D230 A234 V262 Q263 L264	G126-I232 PolarHBondContact N-O 2.92Å; G126-I232 PolarHBondContact O-N 3.4Å; G126-I232 VanDerWaalsContact O-O 3.14Å; V128-I232 HydrophobicContact CG2-CD1 3.52Å; V128-I232 HydrophobicContact CG2-CG1 3.8Å; V128-I232 HydrophobicContact CG2-CG2 3.96Å; M198-I232 HydrophobicContact CG-CD1 4.29Å; M198-I232 HydrophobicContact CG-CG1 4.28Å; M198-I232 HydrophobicContact SD-CD1 3.71Å; M198-I232 HydrophobicContact SD-CG1 3.7Å; C226-I232 HydrophobicContact CB-CG2 4.12Å; D230-I232 HydrophobicContact CB-CG2 4.4Å; I232-A234 HydrophobicContact CD1-CB 4.46Å; I232-V262 HydrophobicContact CB-CG1 3.98Å; I232-V262 HydrophobicContact CD1-CG1 4.15Å; I232-V262 HydrophobicContact CG2-CG1 4.09Å; I232-Q263 CarbonylContact C-O 3.52Å; I232-Q263 VanDerWaalsContact CA-O 3.31Å; I232-Q263 WeakPolarHBondContact CA-O 3.48Å; I232-L264 HydrophobicContact CG2-CD2 3.95Å
233	R	90.9	Very high	86.2	Confident	26 Å²	26	30 Å²	30	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	109.6	162.9	-178	-173.9	-69	162.7	-15.2	107.1	C123 E125 Q263 M265 T525	C123-R233 VanDerWaalsContact SG-CD 3.57Å; C123-R233 WeakPolarHBondContact SG-CG 3.5Å; E125-R233 HydrophobicContact CG-CB 4.09Å; E125-R233 HydrophobicContact CG-CG 3.9Å; E125-R233 IonicContact OE1-CZ 2.86Å; E125-R233 IonicContact OE1-NE 3.55Å; E125-R233 PolarHBondContact OE1-NE 3.38Å; E125-R233 IonicContact OE1-NH2 2.65Å; E125-R233 PolarHBondContact OE1-NH2 2.92Å; R233-Q263 HydrophobicContact CB-CB 4.33Å; R233-Q263 PolarHBondContact N-O 3.43Å; R233-Q263 PolarHBondContact O-N 3.13Å; R233-M265 HydrophobicContact CB-CG 4.32Å; R233-T525 PolarHBondContact NH1-O 3.49Å
234	A	91.5	Very high	85.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.4	-179.9	0	0	0	0	0	109.6	C124 M198 V216 I232 L257	C124-A234 PolarHBondContact N-O 2.91Å; C124-A234 PolarHBondContact O-N 2.95Å; M198-A234 HydrophobicContact CE-CB 4.42Å; M198-A234 HydrophobicContact SD-CB 4.34Å; V216-A234 HydrophobicContact CG1-CB 4.25Å; I232-A234 HydrophobicContact CD1-CB 4.46Å; A234-L257 HydrophobicContact CB-CD2 3.88Å
235	V	92.3	Very high	84.4	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.1	170.4	174.4	0	0	0	0	107.6	F99 F103 L121 C123 N260 N261	F99-V235 HydrophobicContact CB-CG1 4.29Å; F103-V235 HydrophobicContact CE1-CG1 3.97Å; F103-V235 HydrophobicContact CE2-CG1 4.24Å; F103-V235 HydrophobicContact CE2-CG2 3.66Å; F103-V235 HydrophobicContact CZ-CB 4.24Å; F103-V235 HydrophobicContact CZ-CG1 3.42Å; F103-V235 VanDerWaalsContact CZ-CG1 3.42Å; F103-V235 HydrophobicContact CZ-CG2 3.74Å; L121-V235 HydrophobicContact CD1-CG1 4.24Å; L121-V235 HydrophobicContact CG-CG1 4.42Å; C123-V235 HydrophobicContact CB-CG2 4.29Å; V235-N260 PolarHBondContact O-N 3.07Å; V235-N261 HydrophobicContact CB-CB 4.32Å; V235-N261 PolarHBondContact N-O 3.36Å; V235-N261 PolarHBondContact O-N 2.85Å; V235-N261 VanDerWaalsContact O-N 3.12Å
236	G	91.5	Very high	83.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	168.6	-173.2	0	0	0	0	0	114.5	V122 I258	V122-G236 PolarHBondContact N-O 2.7Å; V122-G236 PolarHBondContact O-N 2.95Å; G236-I258 CarbonylContact C-O 3.49Å; G236-I258 WeakPolarHBondContact CA-O 3.42Å
237	V	91.9	Very high	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.9	175.3	-176.4	0	0	0	0	108.5	A66 T67 I70 L121 F162 I258	A66-V237 HydrophobicContact CB-CG1 4.27Å; A66-V237 HydrophobicContact CB-CG2 3.52Å; T67-V237 HydrophobicContact CG2-CG1 3.96Å; I70-V237 HydrophobicContact CD1-CG2 3.58Å; L121-V237 HydrophobicContact CD1-CG2 3.95Å; F162-V237 HydrophobicContact CE1-CB 4.13Å; F162-V237 HydrophobicContact CE1-CG2 3.83Å; F162-V237 HydrophobicContact CZ-CG2 4.23Å; V237-I258 PolarHBondContact N-O 3.42Å; V237-I258 PolarHBondContact O-N 2.97Å
238	Y	92.3	Very high	82.3	Confident	14 Å²	14	47.9 Å²	47.9	6%	0.055	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.8	179	-177.1	-116.4	0	0	0	110.6	L113 I118 G119 N120 T255	L113-Y238 HydrophobicContact CD1-CD2 3.89Å; L113-Y238 HydrophobicContact CD1-CE2 3.83Å; L113-Y238 HydrophobicContact CD2-CD1 3.52Å; L113-Y238 HydrophobicContact CD2-CD2 3.67Å; L113-Y238 HydrophobicContact CD2-CE1 3.35Å; L113-Y238 HydrophobicContact CD2-CE2 3.51Å; L113-Y238 HydrophobicContact CD2-CG 3.65Å; L113-Y238 HydrophobicContact CG-CD2 4.44Å; L113-Y238 HydrophobicContact CG-CE2 4.32Å; I118-Y238 HydrophobicContact CB-CD1 4.49Å; I118-Y238 HydrophobicContact CG1-CD1 3.83Å; I118-Y238 HydrophobicContact CG1-CE1 3.73Å; G119-Y238 PolarHBondContact N-O 3.5Å; N120-Y238 PolarHBondContact O-N 2.89Å; Y238-T255 VanDerWaalsContact CZ-CB 3.49Å; Y238-T255 WeakPolarHBondContact OH-CB 3.34Å; Y238-T255 VanDerWaalsContact OH-CG2 3.29Å; Y238-T255 WeakPolarHBondContact OH-CG2 3.43Å; Y238-T255 PolarHBondContact OH-OG1 3.04Å; Y238-T255 VanDerWaalsContact OH-OG1 3.08Å
239	R	89.1	Confident	81.8	Confident	39 Å²	39	52 Å²	52	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.1	-172	-159.6	174	-170.9	169.3	-1	111.3	I159 A161 V256 I258	I159-R239 PolarHBondContact O-NE 2.95Å; I159-R239 PolarHBondContact O-NH1 3.46Å; A161-R239 PolarHBondContact O-NH1 3.1Å; R239-V256 PolarHBondContact N-O 2.66Å; R239-V256 PolarHBondContact O-N 3.22Å; R239-V256 VanDerWaalsContact O-O 3.1Å; R239-I258 HydrophobicContact CB-CD1 4.2Å
240	C	87.9	Confident	81.6	Confident	42 Å²	42	55 Å²	55	28%	0.284	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	136.1	169.4	55.6	0	0	0	0	110.7	F253 R254	C240-F253 HydrophobicContact CB-CB 4.04Å; C240-R254 CarbonylContact C-O 3.43Å; C240-R254 WeakPolarHBondContact CA-O 3.39Å
241	L	84.4	Confident	81.4	Confident	30 Å²	30	57 Å²	57	16%	0.157	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.2	172	-62.2	179.9	0	0	0	109.3	I159 T160 N243 R254 V256	I159-L241 HydrophobicContact CB-CD2 3.93Å; I159-L241 HydrophobicContact CG2-CD2 3.55Å; T160-L241 HydrophobicContact CG2-CD1 4.3Å; T160-L241 HydrophobicContact CG2-CD2 4.5Å; L241-N243 PolarHBondContact O-N 3.2Å; L241-R254 PolarHBondContact N-O 3.05Å; L241-R254 PolarHBondContact O-N 2.97Å; L241-V256 HydrophobicContact CD1-CG1 3.92Å; L241-V256 HydrophobicContact CD1-CG2 3.81Å; L241-V256 HydrophobicContact CG-CG1 4.49Å; L241-V256 HydrophobicContact CG-CG2 3.87Å
242	P	82.6	Confident	81.4	Confident	45 Å²	45	62.2 Å²	62.2	29%	0.292	36%	0.358	S	S	.	.			trans	-71.1	124.7	174.4	28.3	-32.3	0	0	0	110.4	I159 K244 F253	I159-P242 HydrophobicContact CD1-CG 3.97Å; P242-K244 PolarHBondContact O-N 3.24Å; P242-F253 HydrophobicContact CB-CD1 4.07Å; P242-F253 HydrophobicContact CB-CE1 3.93Å
243	N	72.4	Confident	81.1	Confident	56 Å²	56	67.8 Å²	67.8	30%	0.299	38%	0.383	S	S	.	.			trans	-84.4	111.6	168.6	-163.8	-10.8	0	0	0	109.2	L241	L241-N243 PolarHBondContact O-N 3.2Å
244	K	68.8	Low	80.9	Confident	152 Å²	152	69.3 Å²	69.3	66%	0.661	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	101.1	177.1	-71.5	-172.9	179.4	-176.4	0	109.3	P242 T249	P242-K244 PolarHBondContact O-N 3.24Å; K244-T249 HydrophobicContact CD-CG2 4.42Å; K244-T249 HydrophobicContact CG-CG2 3.94Å
245	Q	66.4	Low	80.8	Confident	139 Å²	139	71.8 Å²	71.8	65%	0.65	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.1	171.2	-68.4	-174.5	-10.6	0	0	109.5	G247 Y248	Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.27Å; Q245-Y248 PolarHBondContact O-N 3.21Å
246	S	63.3	Low	80.8	Confident	120 Å²	120	71.9 Å²	71.9	84%	0.839	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	43	175.5	-150.8	0	0	0	0	115.1	Y248	S246-Y248 WeakPolarHBondContact O-CD2 3.46Å; S246-Y248 PolarHBondContact O-N 3.45Å
247	G	69.4	Low	80.8	Confident	75 Å²	75	71.9 Å²	71.9	77%	0.773	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-20.6	177.8	0	0	0	0	0	115.8	Q245	Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.27Å
248	Y	73.8	Confident	80.9	Confident	196 Å²	196	72.4 Å²	72.4	77%	0.769	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.1	173.7	-65.2	-83.5	0	0	0	110.5	Q245 S246	Q245-Y248 PolarHBondContact O-N 3.21Å; S246-Y248 WeakPolarHBondContact O-CD2 3.46Å; S246-Y248 PolarHBondContact O-N 3.45Å
249	T	74.2	Confident	80.9	Confident	96 Å²	96	72.1 Å²	72.1	59%	0.589	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.3	170.1	47.3	0	0	0	0	109.4	K244	K244-T249 HydrophobicContact CD-CG2 4.42Å; K244-T249 HydrophobicContact CG-CG2 3.94Å
250	S	74.6	Confident	80.9	Confident	67 Å²	67	70.7 Å²	70.7	47%	0.469	40%	0.403	S	S	.	.			trans	-68	143.5	165.5	-175.5	0	0	0	0	109.9	L252	S250-L252 PolarHBondContact O-N 2.85Å; S250-L252 PolarHBondContact OG-N 3.3Å
251	G	79.1	Confident	81	Confident	68 Å²	68	69 Å²	69	70%	0.701	39%	0.391	S	S	*	.	S	Bend	trans	-69.2	-6.9	172.1	0	0	0	0	0	113.8	F253	G251-F253 WeakPolarHBondContact O-CD2 3.3Å
252	L	82.8	Confident	81.3	Confident	141 Å²	141	68 Å²	68	74%	0.738	39%	0.386	S	S	*	.			trans	-87.6	108.5	173	-62.4	174.8	0	0	0	110	S250	S250-L252 PolarHBondContact O-N 2.85Å; S250-L252 PolarHBondContact OG-N 3.3Å
253	F	84.5	Confident	81.5	Confident	118 Å²	118	66.5 Å²	66.5	52%	0.518	38%	0.375	S	S	.	.			trans	-88.9	140.3	174.3	-63.5	-95.7	0	0	0	110.7	C240 P242 G251	C240-F253 HydrophobicContact CB-CB 4.04Å; P242-F253 HydrophobicContact CB-CD1 4.07Å; P242-F253 HydrophobicContact CB-CE1 3.93Å; G251-F253 WeakPolarHBondContact O-CD2 3.3Å
254	R	85.6	Confident	82	Confident	58 Å²	58	65.3 Å²	65.3	22%	0.219	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.2	169.8	-175.2	-177.8	-175.2	170.3	14.7	108.7	E215 C240 L241 E383	E215-R254 IonicContact OE1-CZ 3.8Å; E215-R254 IonicContact OE1-NE 2.8Å; E215-R254 PolarHBondContact OE1-NE 2.95Å; E215-R254 IonicContact OE1-NH2 3.3Å; E215-R254 PolarHBondContact OE1-NH2 3Å; E215-R254 IonicContact OE2-CZ 2.71Å; E215-R254 IonicContact OE2-NE 2.66Å; E215-R254 PolarHBondContact OE2-NE 3.15Å; E215-R254 IonicContact OE2-NH2 3.83Å; E215-R254 PolarHBondContact OE2-NH2 2.86Å; C240-R254 CarbonylContact C-O 3.43Å; C240-R254 WeakPolarHBondContact CA-O 3.39Å; L241-R254 PolarHBondContact N-O 3.05Å; L241-R254 PolarHBondContact O-N 2.97Å; R254-E383 IonicContact CZ-OE2 2.67Å; R254-E383 IonicContact NH1-OE1 2.87Å; R254-E383 IonicContact NH1-OE2 2.85Å; R254-E383 PolarHBondContact NH1-OE2 2.76Å; R254-E383 IonicContact NH2-OE2 3.61Å
255	T	89.6	Confident	82.2	Confident	51 Å²	51	60.3 Å²	60.3	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	-178.5	65.9	0	0	0	0	111.5	Y238	Y238-T255 VanDerWaalsContact CZ-CB 3.49Å; Y238-T255 WeakPolarHBondContact OH-CB 3.34Å; Y238-T255 VanDerWaalsContact OH-CG2 3.29Å; Y238-T255 WeakPolarHBondContact OH-CG2 3.43Å; Y238-T255 PolarHBondContact OH-OG1 3.04Å; Y238-T255 VanDerWaalsContact OH-OG1 3.08Å
256	V	92.1	Very high	81.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	-177.4	-59.7	0	0	0	0	110.2	E215 I217 R239 L241	E215-V256 HydrophobicContact CB-CG1 4.38Å; I217-V256 HydrophobicContact CD1-CB 4.01Å; I217-V256 HydrophobicContact CD1-CG1 4.21Å; I217-V256 HydrophobicContact CD1-CG2 3.97Å; I217-V256 HydrophobicContact CG1-CB 4.48Å; R239-V256 PolarHBondContact N-O 2.66Å; R239-V256 PolarHBondContact O-N 3.22Å; R239-V256 VanDerWaalsContact O-O 3.1Å; L241-V256 HydrophobicContact CD1-CG1 3.92Å; L241-V256 HydrophobicContact CD1-CG2 3.81Å; L241-V256 HydrophobicContact CG-CG1 4.49Å; L241-V256 HydrophobicContact CG-CG2 3.87Å
257	L	92.6	Very high	81.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.8	169.2	-174.1	69	0	0	0	108.4	V122 C124 V214 E215 V216 I217 A234 A259	V122-L257 HydrophobicContact CG2-CD1 3.51Å; C124-L257 HydrophobicContact CB-CD2 4.07Å; V214-L257 HydrophobicContact CG1-CB 4.22Å; E215-L257 PolarHBondContact O-N 2.8Å; V216-L257 CarbonylContact C-O 3.53Å; V216-L257 WeakPolarHBondContact CA-O 3.47Å; V216-L257 HydrophobicContact CG1-CD2 4.5Å; V216-L257 HydrophobicContact CG2-CB 4.37Å; V216-L257 HydrophobicContact CG2-CD2 4.25Å; I217-L257 PolarHBondContact N-O 3.1Å; A234-L257 HydrophobicContact CB-CD2 3.88Å; L257-A259 PolarHBondContact O-N 3.11Å
258	I	92.7	Very high	80.2	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.051	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	105	172.7	-61.2	165.1	0	0	0	106.6	T160 F162 G236 V237 R239	T160-I258 WeakPolarHBondContact O-CD1 3.27Å; F162-I258 HydrophobicContact CZ-CG2 4.24Å; G236-I258 CarbonylContact C-O 3.49Å; G236-I258 WeakPolarHBondContact CA-O 3.42Å; V237-I258 PolarHBondContact N-O 3.42Å; V237-I258 PolarHBondContact O-N 2.97Å; R239-I258 HydrophobicContact CB-CD1 4.2Å
259	A	92.3	Very high	79	Confident	8 Å²	8	51.7 Å²	51.7	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.5	-177.2	0	0	0	0	0	110.8	V216 I217 L218 L222 L257 V262	V216-A259 HydrophobicContact CG1-CB 3.75Å; I217-A259 WeakPolarHBondContact O-CB 3.47Å; I217-A259 PolarHBondContact O-N 3.49Å; L218-A259 HydrophobicContact CD2-CB 3.47Å; L218-A259 VanDerWaalsContact CD2-CB 3.47Å; L222-A259 HydrophobicContact CD1-CB 3.95Å; L222-A259 WeakPolarHBondContact CD1-O 3.41Å; L257-A259 PolarHBondContact O-N 3.11Å; A259-V262 HydrophobicContact CB-CG2 3.82Å
260	N	89.9	Confident	77.7	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.053	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-32.6	173.6	-160.8	10.1	0	0	0	111.2	R43 V97 F99 V235	R43-N260 PolarHBondContact NH1-O 2.85Å; V97-N260 PolarHBondContact O-ND2 3.03Å; V97-N260 PolarHBondContact O-OD1 3.34Å; F99-N260 VanDerWaalsContact CD2-ND2 3.34Å; F99-N260 WeakPolarHBondContact CD2-ND2 3.44Å; F99-N260 WeakPolarHBondContact CE2-ND2 3.2Å; V235-N260 PolarHBondContact O-N 3.07Å
261	N	90.7	Very high	76.8	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.027	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.2	168.6	-167.2	13.6	0	0	0	110.2	F99 V235	F99-N261 PolarHBondContact O-ND2 3.2Å; V235-N261 HydrophobicContact CB-CB 4.32Å; V235-N261 PolarHBondContact N-O 3.36Å; V235-N261 PolarHBondContact O-N 2.85Å; V235-N261 VanDerWaalsContact O-N 3.12Å
262	V	89.1	Confident	75.6	Confident	9 Å²	9	53 Å²	53	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.6	174.1	-172.2	0	0	0	0	109.5	L218 L222 C226 I232 A259	L218-V262 HydrophobicContact CD2-CG2 3.64Å; L222-V262 HydrophobicContact CD1-CG2 4.23Å; L222-V262 HydrophobicContact CD2-CG2 4.36Å; C226-V262 WeakPolarHBondContact SG-CG1 3.27Å; I232-V262 HydrophobicContact CB-CG1 3.98Å; I232-V262 HydrophobicContact CD1-CG1 4.15Å; I232-V262 HydrophobicContact CG2-CG1 4.09Å; A259-V262 HydrophobicContact CB-CG2 3.82Å
263	Q	87.2	Confident	74.4	Confident	15 Å²	15	47.3 Å²	47.3	7%	0.07	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.1	179.4	-61.4	178.8	-20.3	0	0	110.4	E100 I232 R233 M265	E100-Q263 PolarHBondContact OE1-NE2 3.29Å; E100-Q263 PolarHBondContact OE2-NE2 3.47Å; I232-Q263 CarbonylContact C-O 3.52Å; I232-Q263 VanDerWaalsContact CA-O 3.31Å; I232-Q263 WeakPolarHBondContact CA-O 3.48Å; R233-Q263 HydrophobicContact CB-CB 4.33Å; R233-Q263 PolarHBondContact N-O 3.43Å; R233-Q263 PolarHBondContact O-N 3.13Å; Q263-M265 PolarHBondContact O-N 2.81Å
264	L	82.8	Confident	73.6	Confident	31 Å²	31	44.1 Å²	44.1	16%	0.162	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	101.3	172.9	-73.5	166	0	0	0	109.8	R225 D230 I232 S266 K267	R225-L264 WeakPolarHBondContact O-CD1 3.43Å; D230-L264 HydrophobicContact CB-CD2 3.73Å; I232-L264 HydrophobicContact CG2-CD2 3.95Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-S266 VanDerWaalsContact O-N 3.1Å; L264-K267 HydrophobicContact CB-CD 4.49Å; L264-K267 HydrophobicContact CB-CG 4.45Å; L264-K267 HydrophobicContact CD1-CD 4.28Å; L264-K267 PolarHBondContact O-N 3.44Å; L264-K267 VanDerWaalsContact O-N 3.12Å
265	M	73	Confident	73.1	Confident	46 Å²	46	46.4 Å²	46.4	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-24.4	173.8	-59	-173.2	82.6	0	0	111.4	E125 R231 R233 Q263 K267 Q268 S269	E125-M265 HydrophobicContact CG-SD 4.37Å; R231-M265 HydrophobicContact CB-CB 4.07Å; R231-M265 PolarHBondContact O-N 2.86Å; R233-M265 HydrophobicContact CB-CG 4.32Å; Q263-M265 PolarHBondContact O-N 2.81Å; M265-K267 PolarHBondContact O-N 3.39Å; M265-K267 VanDerWaalsContact O-N 3.17Å; M265-Q268 CarbonylContact O-C 3.59Å; M265-Q268 PolarHBondContact O-N 3.34Å; M265-S269 WeakPolarHBondContact O-CA 3.44Å; M265-S269 WeakPolarHBondContact O-CB 3.49Å; M265-S269 PolarHBondContact O-N 3.37Å; M265-S269 PolarHBondContact O-OG 2.93Å
266	S	59.7	Low	72.4	Confident	30 Å²	30	50 Å²	50	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-22.1	177.2	62.4	0	0	0	0	114.5	D230 L264 S269	D230-S266 PolarHBondContact OD1-OG 2.91Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-S266 VanDerWaalsContact O-N 3.1Å; S266-S269 PolarHBondContact O-OG 2.98Å
267	K	54	Low	71.5	Confident	156 Å²	156	50.8 Å²	50.8	68%	0.678	27%	0.272	S	S	*	.	H	α-helix	trans	-87.7	-40.9	174.6	-67.1	178.7	-178.8	172.8	0	112.2	L264 M265	L264-K267 HydrophobicContact CB-CD 4.49Å; L264-K267 HydrophobicContact CB-CG 4.45Å; L264-K267 HydrophobicContact CD1-CD 4.28Å; L264-K267 PolarHBondContact O-N 3.44Å; L264-K267 VanDerWaalsContact O-N 3.12Å; M265-K267 PolarHBondContact O-N 3.39Å; M265-K267 VanDerWaalsContact O-N 3.17Å
268	Q	44.5	Very low	70.7	Confident	102 Å²	102	52.3 Å²	52.3	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-80	-14.5	177.8	-73	167.7	-31.4	0	0	113.4	M265 T270	M265-Q268 CarbonylContact O-C 3.59Å; M265-Q268 PolarHBondContact O-N 3.34Å; Q268-T270 CarbonylContact O-C 3.47Å; Q268-T270 PolarHBondContact O-N 3.49Å; Q268-T270 VanDerWaalsContact O-O 3.12Å
269	S	47.4	Very low	70.1	Confident	62 Å²	62	58 Å²	58	43%	0.434	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	3	-179.9	64.3	0	0	0	0	114.9	M265 S266 V271	M265-S269 WeakPolarHBondContact O-CA 3.44Å; M265-S269 WeakPolarHBondContact O-CB 3.49Å; M265-S269 PolarHBondContact O-N 3.37Å; M265-S269 PolarHBondContact O-OG 2.93Å; S266-S269 PolarHBondContact O-OG 2.98Å; S269-V271 PolarHBondContact O-N 2.97Å
270	T	46.8	Very low	69.3	Low	65 Å²	65	59.2 Å²	59.2	40%	0.399	31%	0.314	S	S	.	.	S	Bend	trans	-76.7	98.2	154.5	82.5	0	0	0	0	107.5	Q268 E272 K572	Q268-T270 CarbonylContact O-C 3.47Å; Q268-T270 PolarHBondContact O-N 3.49Å; Q268-T270 VanDerWaalsContact O-O 3.12Å; T270-E272 PolarHBondContact O-N 2.61Å; T270-E272 VanDerWaalsContact O-N 3.14Å; T270-K572 VanDerWaalsContact CB-NZ 3.3Å; T270-K572 PolarHBondContact OG1-NZ 3.47Å
271	V	55.7	Low	68.7	Low	54 Å²	54	58.7 Å²	58.7	33%	0.327	31%	0.312	S	S	.	.			trans	-39.1	125	170.3	-174.4	0	0	0	0	108.3	S269 V273 K565	S269-V271 PolarHBondContact O-N 2.97Å; V271-V273 WeakPolarHBondContact O-CG2 3.42Å; V271-V273 PolarHBondContact O-N 3.45Å; V271-K565 HydrophobicContact CG1-CG 4.04Å
272	E	54.7	Low	68.2	Low	138 Å²	138	64.8 Å²	64.8	65%	0.645	33%	0.334	S	S	*	.			trans	-68.7	89.6	179	-69.6	179.3	153.4	0	0	107.1	T270 S274 N527	T270-E272 PolarHBondContact O-N 2.61Å; T270-E272 VanDerWaalsContact O-N 3.14Å; E272-S274 PolarHBondContact O-N 3.24Å; E272-S274 VanDerWaalsContact O-N 3.08Å; E272-N527 PolarHBondContact OE2-ND2 3.41Å
273	V	58.6	Low	67.8	Low	23 Å²	23	66.2 Å²	66.2	14%	0.139	35%	0.351	C	S	.	.			trans	-70.4	108.5	-177.1	-164.2	0	0	0	0	106.5	V271 D277 L278 I281	V271-V273 WeakPolarHBondContact O-CG2 3.42Å; V271-V273 PolarHBondContact O-N 3.45Å; V273-D277 HydrophobicContact CG1-CB 3.4Å; V273-D277 VanDerWaalsContact CG1-CB 3.4Å; V273-L278 HydrophobicContact CB-CD2 4.02Å; V273-L278 HydrophobicContact CB-CG 4.13Å; V273-L278 HydrophobicContact CG1-CD2 3.6Å; V273-L278 HydrophobicContact CG1-CG 3.73Å; V273-I281 HydrophobicContact CG1-CD1 3.96Å
274	S	67.7	Low	67.2	Low	50 Å²	50	66 Å²	66	35%	0.35	35%	0.349	S	S	.	.			trans	-57.7	159.5	179.8	74.5	0	0	0	0	110.4	E272 E276 D277 L278	E272-S274 PolarHBondContact O-N 3.24Å; E272-S274 VanDerWaalsContact O-N 3.08Å; S274-E276 PolarHBondContact O-N 3.29Å; S274-E276 VanDerWaalsContact O-N 3.16Å; S274-E276 PolarHBondContact OG-N 3.43Å; S274-D277 PolarHBondContact N-OD2 3.49Å; S274-D277 PolarHBondContact O-N 2.96Å; S274-D277 PolarHBondContact OG-N 3.22Å; S274-D277 PolarHBondContact OG-OD2 2.94Å; S274-L278 WeakPolarHBondContact O-CG 3.39Å; S274-L278 PolarHBondContact O-N 2.72Å
275	T	74.3	Confident	66.9	Low	107 Å²	107	65.4 Å²	65.4	66%	0.656	35%	0.347	S	S	*	.	H	α-helix	trans	-60.7	-25.3	176.2	51.1	0	0	0	0	111.9	Q279	T275-Q279 VanDerWaalsContact O-CG 3.3Å; T275-Q279 WeakPolarHBondContact O-CG 3.48Å; T275-Q279 PolarHBondContact O-N 3.33Å; T275-Q279 PolarHBondContact O-NE2 3.07Å
276	E	75.3	Confident	67	Low	127 Å²	127	73 Å²	73	59%	0.593	37%	0.373	S	S	*	.	H	α-helix	trans	-77.6	-46.5	174.9	-57.9	-176.7	168.7	0	0	112.3	S274 L278 Q279 S280	S274-E276 PolarHBondContact O-N 3.29Å; S274-E276 VanDerWaalsContact O-N 3.16Å; S274-E276 PolarHBondContact OG-N 3.43Å; E276-L278 PolarHBondContact O-N 3.09Å; E276-Q279 CarbonylContact O-C 3.59Å; E276-Q279 WeakPolarHBondContact O-CA 3.4Å; E276-Q279 WeakPolarHBondContact O-CB 3.13Å; E276-Q279 PolarHBondContact O-N 2.98Å; E276-S280 PolarHBondContact O-N 2.95Å; E276-S280 PolarHBondContact O-OG 3.27Å
277	D	72.4	Confident	67.4	Low	19 Å²	19	77.1 Å²	77.1	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-56	-41.7	170.8	-79.2	-41.3	0	0	0	110.5	V273 S274 Q279 S280 I281 K565	V273-D277 HydrophobicContact CG1-CB 3.4Å; V273-D277 VanDerWaalsContact CG1-CB 3.4Å; S274-D277 PolarHBondContact N-OD2 3.49Å; S274-D277 PolarHBondContact O-N 2.96Å; S274-D277 PolarHBondContact OG-N 3.22Å; S274-D277 PolarHBondContact OG-OD2 2.94Å; D277-Q279 VanDerWaalsContact C-N 3.27Å; D277-Q279 PolarHBondContact O-N 3.44Å; D277-S280 WeakPolarHBondContact CA-OG 3.21Å; D277-S280 PolarHBondContact O-N 3.21Å; D277-S280 PolarHBondContact O-OG 3Å; D277-I281 WeakPolarHBondContact O-CB 3.38Å; D277-I281 WeakPolarHBondContact O-CD1 3.43Å; D277-I281 WeakPolarHBondContact O-CG1 3.4Å; D277-I281 PolarHBondContact O-N 3.24Å; D277-K565 IonicContact OD1-NZ 3.46Å; D277-K565 PolarHBondContact OD1-NZ 3.3Å; D277-K565 WeakPolarHBondContact OD2-CD 3.36Å; D277-K565 WeakPolarHBondContact OD2-CE 3.17Å; D277-K565 IonicContact OD2-NZ 3.21Å; D277-K565 PolarHBondContact OD2-NZ 2.81Å
278	L	75.3	Confident	67.8	Low	32 Å²	32	75.8 Å²	75.8	17%	0.168	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-32	175.3	-71.6	177.9	0	0	0	112.4	V273 S274 E276 R282 Y569	V273-L278 HydrophobicContact CB-CD2 4.02Å; V273-L278 HydrophobicContact CB-CG 4.13Å; V273-L278 HydrophobicContact CG1-CD2 3.6Å; V273-L278 HydrophobicContact CG1-CG 3.73Å; S274-L278 WeakPolarHBondContact O-CG 3.39Å; S274-L278 PolarHBondContact O-N 2.72Å; E276-L278 PolarHBondContact O-N 3.09Å; L278-R282 VanDerWaalsContact O-CB 3.25Å; L278-R282 WeakPolarHBondContact O-CB 3.2Å; L278-R282 VanDerWaalsContact O-CD 3.27Å; L278-R282 WeakPolarHBondContact O-CD 3.36Å; L278-R282 WeakPolarHBondContact O-CG 3.45Å; L278-R282 PolarHBondContact O-N 3.37Å; L278-Y569 HydrophobicContact CD2-CD1 4.2Å; L278-Y569 HydrophobicContact CD2-CD2 3.63Å; L278-Y569 HydrophobicContact CD2-CE1 3.95Å; L278-Y569 HydrophobicContact CD2-CE2 3.33Å; L278-Y569 HydrophobicContact CD2-CG 4.08Å
279	Q	79.8	Confident	68.6	Low	130 Å²	130	77.7 Å²	77.7	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-74.2	-44.1	175.6	-77.1	176.2	67.7	0	0	111.9	T275 E276 D277 R282 G283	T275-Q279 VanDerWaalsContact O-CG 3.3Å; T275-Q279 WeakPolarHBondContact O-CG 3.48Å; T275-Q279 PolarHBondContact O-N 3.33Å; T275-Q279 PolarHBondContact O-NE2 3.07Å; E276-Q279 CarbonylContact O-C 3.59Å; E276-Q279 WeakPolarHBondContact O-CA 3.4Å; E276-Q279 WeakPolarHBondContact O-CB 3.13Å; E276-Q279 PolarHBondContact O-N 2.98Å; D277-Q279 VanDerWaalsContact C-N 3.27Å; D277-Q279 PolarHBondContact O-N 3.44Å; Q279-R282 PolarHBondContact O-N 2.85Å; Q279-G283 PolarHBondContact O-N 2.91Å
280	S	76.1	Confident	69.6	Low	32 Å²	32	80.6 Å²	80.6	22%	0.224	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-44	176.7	63.7	0	0	0	0	111.6	E276 D277 R282 G283 F284	E276-S280 PolarHBondContact O-N 2.95Å; E276-S280 PolarHBondContact O-OG 3.27Å; D277-S280 WeakPolarHBondContact CA-OG 3.21Å; D277-S280 PolarHBondContact O-N 3.21Å; D277-S280 PolarHBondContact O-OG 3Å; S280-R282 PolarHBondContact O-N 2.85Å; S280-G283 PolarHBondContact O-N 2.91Å; S280-F284 WeakPolarHBondContact O-CB 3.25Å; S280-F284 PolarHBondContact O-N 3.44Å
281	I	78.4	Confident	71.1	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-58.4	-46.8	172.5	-71.3	169	0	0	0	111.4	V273 D277 F284 V285 F562 F566 Y569 F628	V273-I281 HydrophobicContact CG1-CD1 3.96Å; D277-I281 WeakPolarHBondContact O-CB 3.38Å; D277-I281 WeakPolarHBondContact O-CD1 3.43Å; D277-I281 WeakPolarHBondContact O-CG1 3.4Å; D277-I281 PolarHBondContact O-N 3.24Å; I281-F284 PolarHBondContact O-N 3.33Å; I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.26Å; I281-V285 VanDerWaalsContact O-N 3.13Å; I281-F562 HydrophobicContact CG1-CE2 3.66Å; I281-F562 HydrophobicContact CG1-CZ 3.73Å; I281-F566 HydrophobicContact CG2-CD2 4.08Å; I281-F566 HydrophobicContact CG2-CE2 4.47Å; I281-Y569 HydrophobicContact CG2-CD1 4.08Å; I281-F628 HydrophobicContact CG2-CD2 4.18Å; I281-F628 HydrophobicContact CG2-CE2 3.2Å; I281-F628 HydrophobicContact CG2-CZ 3.49Å; I281-F628 VanDerWaalsContact CG2-CZ 3.49Å
282	R	80.2	Confident	72.3	Confident	133 Å²	133	75.9 Å²	75.9	50%	0.502	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-35.5	177.2	-75.4	169.1	-173.4	178.1	5.6	112.6	L278 Q279 S280 R286	L278-R282 VanDerWaalsContact O-CB 3.25Å; L278-R282 WeakPolarHBondContact O-CB 3.2Å; L278-R282 VanDerWaalsContact O-CD 3.27Å; L278-R282 WeakPolarHBondContact O-CD 3.36Å; L278-R282 WeakPolarHBondContact O-CG 3.45Å; L278-R282 PolarHBondContact O-N 3.37Å; Q279-R282 PolarHBondContact O-N 2.85Å; S280-R282 PolarHBondContact O-N 2.85Å; R282-R286 WeakPolarHBondContact O-CG 3.27Å; R282-R286 PolarHBondContact O-N 3.29Å
283	G	79.1	Confident	73.6	Confident	38 Å²	38	72.8 Å²	72.8	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-48.5	174.4	0	0	0	0	0	111.2	Q279 S280 V285 R286	Q279-G283 PolarHBondContact O-N 2.91Å; S280-G283 PolarHBondContact O-N 2.91Å; G283-V285 PolarHBondContact O-N 2.87Å; G283-R286 WeakPolarHBondContact O-CB 3.08Å; G283-R286 PolarHBondContact O-N 3.27Å
284	F	76.2	Confident	74.8	Confident	10 Å²	10	73.3 Å²	73.3	4%	0.044	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-43.7	176.7	-175.2	-111.9	0	0	0	112.6	S280 I281 R286 M287 T291 I294 L295 L558 F562 F566	S280-F284 WeakPolarHBondContact O-CB 3.25Å; S280-F284 PolarHBondContact O-N 3.44Å; I281-F284 PolarHBondContact O-N 3.33Å; F284-R286 VanDerWaalsContact C-N 3.27Å; F284-R286 PolarHBondContact O-N 2.6Å; F284-M287 WeakPolarHBondContact O-CB 3.3Å; F284-M287 PolarHBondContact O-N 3.11Å; F284-M287 VanDerWaalsContact O-N 3.09Å; F284-T291 HydrophobicContact CD1-CG2 4.16Å; F284-T291 HydrophobicContact CE1-CG2 3.75Å; F284-T291 HydrophobicContact CZ-CG2 4.48Å; F284-T291 PolarHBondContact O-OG1 2.91Å; F284-I294 HydrophobicContact CE2-CD1 4.2Å; F284-I294 HydrophobicContact CE2-CG2 4.1Å; F284-I294 HydrophobicContact CZ-CB 4.04Å; F284-I294 HydrophobicContact CZ-CD1 4.39Å; F284-I294 HydrophobicContact CZ-CG2 3.73Å; F284-L295 HydrophobicContact CE1-CD1 4.46Å; F284-L295 HydrophobicContact CE1-CD2 4.34Å; F284-L295 HydrophobicContact CE1-CG 4.14Å; F284-L558 HydrophobicContact CD2-CD2 4.39Å; F284-L558 HydrophobicContact CE1-CD1 3.82Å; F284-L558 HydrophobicContact CE2-CD1 4.47Å; F284-L558 HydrophobicContact CE2-CD2 3.96Å; F284-L558 HydrophobicContact CZ-CD1 3.73Å; F284-L558 HydrophobicContact CZ-CD2 4.05Å; F284-L558 HydrophobicContact CZ-CG 4.26Å; F284-F562 HydrophobicContact CD1-CE1 4.46Å; F284-F566 HydrophobicContact CD1-CE2 4.42Å
285	V	76.2	Confident	75.6	Confident	19 Å²	19	70.9 Å²	70.9	12%	0.115	35%	0.354	C	S	.	.	H	α-helix	trans	-71.9	-14.7	-179.6	172.1	0	0	0	0	114.4	I281 G283 M287 T291 F566 R627 F628	I281-V285 WeakPolarHBondContact O-CG2 3.38Å; I281-V285 PolarHBondContact O-N 3.26Å; I281-V285 VanDerWaalsContact O-N 3.13Å; G283-V285 PolarHBondContact O-N 2.87Å; V285-M287 PolarHBondContact O-N 2.7Å; V285-T291 HydrophobicContact CG2-CG2 4.35Å; V285-F566 HydrophobicContact CG2-CE2 3.79Å; V285-F566 HydrophobicContact CG2-CZ 4.35Å; V285-R627 WeakPolarHBondContact CG1-O 3.33Å; V285-F628 HydrophobicContact CB-CD2 4.07Å; V285-F628 HydrophobicContact CB-CE2 4.32Å; V285-F628 HydrophobicContact CG1-CD2 4.06Å; V285-F628 HydrophobicContact CG2-CD2 3.57Å; V285-F628 HydrophobicContact CG2-CE2 3.38Å
286	R	74	Confident	76.1	Confident	207 Å²	207	66 Å²	66	78%	0.781	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.6	168.8	-72.3	173.2	175.8	-169.6	-0.8	112.2	R282 G283 F284 K288	R282-R286 WeakPolarHBondContact O-CG 3.27Å; R282-R286 PolarHBondContact O-N 3.29Å; G283-R286 WeakPolarHBondContact O-CB 3.08Å; G283-R286 PolarHBondContact O-N 3.27Å; F284-R286 VanDerWaalsContact C-N 3.27Å; F284-R286 PolarHBondContact O-N 2.6Å; R286-K288 PolarHBondContact O-N 3.28Å
287	M	69.6	Low	76.4	Confident	115 Å²	115	62.6 Å²	62.6	57%	0.567	31%	0.305	S	S	*	.	S	Bend	trans	-80.2	51.7	174.8	-54.9	-64.7	-85.8	0	0	111.9	F284 V285 D289 Q290 T291	F284-M287 WeakPolarHBondContact O-CB 3.3Å; F284-M287 PolarHBondContact O-N 3.11Å; F284-M287 VanDerWaalsContact O-N 3.09Å; V285-M287 PolarHBondContact O-N 2.7Å; M287-D289 PolarHBondContact O-N 2.93Å; M287-Q290 PolarHBondContact O-N 3.18Å; M287-Q290 VanDerWaalsContact O-N 3.15Å; M287-T291 PolarHBondContact O-N 2.68Å; M287-T291 VanDerWaalsContact O-N 3.16Å; M287-T291 PolarHBondContact O-OG1 2.86Å
288	K	60.4	Low	76.8	Confident	128 Å²	128	62 Å²	62	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-36	-162.5	-68.5	171.3	-176.3	169.1	0	116.4	R286	R286-K288 PolarHBondContact O-N 3.28Å
289	D	61.3	Low	77.1	Confident	142 Å²	142	60.5 Å²	60.5	76%	0.759	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-28.5	-169.1	-57.4	-38.1	0	0	0	113.1	M287	M287-D289 PolarHBondContact O-N 2.93Å
290	Q	69.4	Low	77.1	Confident	123 Å²	123	54.4 Å²	54.4	58%	0.575	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-22.7	179.3	-67.1	179.6	-9	0	0	113.1	M287 I292 S293 I294	M287-Q290 PolarHBondContact O-N 3.18Å; M287-Q290 VanDerWaalsContact O-N 3.15Å; Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 3.47Å; Q290-S293 PolarHBondContact O-N 3.37Å; Q290-I294 HydrophobicContact CB-CD1 3.96Å; Q290-I294 WeakPolarHBondContact O-CG1 3.45Å; Q290-I294 PolarHBondContact O-N 3.07Å
291	T	77.8	Confident	77.1	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-45.9	-49.9	-179.9	-63.1	0	0	0	0	113.3	F284 V285 M287 S293 I294 L295 I626	F284-T291 HydrophobicContact CD1-CG2 4.16Å; F284-T291 HydrophobicContact CE1-CG2 3.75Å; F284-T291 HydrophobicContact CZ-CG2 4.48Å; F284-T291 PolarHBondContact O-OG1 2.91Å; V285-T291 HydrophobicContact CG2-CG2 4.35Å; M287-T291 PolarHBondContact O-N 2.68Å; M287-T291 VanDerWaalsContact O-N 3.16Å; M287-T291 PolarHBondContact O-OG1 2.86Å; T291-S293 PolarHBondContact O-N 3.39Å; T291-I294 PolarHBondContact O-N 2.88Å; T291-L295 HydrophobicContact CG2-CD1 3.72Å; T291-L295 WeakPolarHBondContact O-CB 3.39Å; T291-L295 WeakPolarHBondContact O-CD1 3.36Å; T291-L295 VanDerWaalsContact O-CG 3.24Å; T291-L295 WeakPolarHBondContact O-CG 3.34Å; T291-L295 PolarHBondContact O-N 3.24Å; T291-I626 HydrophobicContact CG2-CG2 4.46Å
292	I	81.8	Confident	77.2	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-41.3	-177.6	-61.6	170.6	0	0	0	111	Q290 T296 K311 F623 I626 K639	Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 3.47Å; I292-T296 VanDerWaalsContact O-CB 3.29Å; I292-T296 WeakPolarHBondContact O-CB 3.42Å; I292-T296 PolarHBondContact O-N 3.49Å; I292-T296 PolarHBondContact O-OG1 2.91Å; I292-K311 HydrophobicContact CG2-CG 4.46Å; I292-F623 HydrophobicContact CD1-CD1 4.03Å; I292-F623 HydrophobicContact CD1-CE1 4.32Å; I292-I626 HydrophobicContact CG1-CG2 4.05Å; I292-K639 HydrophobicContact CD1-CD 4.25Å
293	S	82	Confident	77.3	Confident	74 Å²	74	49.5 Å²	49.5	52%	0.517	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-46.1	179.4	-168.1	0	0	0	0	111.4	Q290 T291 L295 T296 R297	Q290-S293 PolarHBondContact O-N 3.37Å; T291-S293 PolarHBondContact O-N 3.39Å; S293-L295 PolarHBondContact O-N 2.96Å; S293-T296 WeakPolarHBondContact O-CB 3.48Å; S293-T296 PolarHBondContact O-N 3.42Å; S293-R297 PolarHBondContact O-N 2.95Å
294	I	83.1	Confident	77.2	Confident	33 Å²	33	49.2 Å²	49.2	17%	0.169	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-44.9	178	-64.9	165.2	0	0	0	111	F284 Q290 T291 T296 R297 S298 K556 L558	F284-I294 HydrophobicContact CE2-CD1 4.2Å; F284-I294 HydrophobicContact CE2-CG2 4.1Å; F284-I294 HydrophobicContact CZ-CB 4.04Å; F284-I294 HydrophobicContact CZ-CD1 4.39Å; F284-I294 HydrophobicContact CZ-CG2 3.73Å; Q290-I294 HydrophobicContact CB-CD1 3.96Å; Q290-I294 WeakPolarHBondContact O-CG1 3.45Å; Q290-I294 PolarHBondContact O-N 3.07Å; T291-I294 PolarHBondContact O-N 2.88Å; I294-T296 PolarHBondContact O-N 2.97Å; I294-R297 PolarHBondContact O-N 3.22Å; I294-S298 WeakPolarHBondContact O-CB 3.48Å; I294-S298 PolarHBondContact O-N 3.27Å; I294-S298 PolarHBondContact O-OG 3.01Å; I294-K556 WeakPolarHBondContact CG2-O 3.27Å; I294-L558 HydrophobicContact CG2-CD1 4.3Å; I294-L558 HydrophobicContact CG2-CG 4.08Å
295	L	84.9	Confident	77.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175	-73	164.4	0	0	0	112	F284 T291 S293 S298 L299 L314 L558 L563 F566 I626	F284-L295 HydrophobicContact CE1-CD1 4.46Å; F284-L295 HydrophobicContact CE1-CD2 4.34Å; F284-L295 HydrophobicContact CE1-CG 4.14Å; T291-L295 HydrophobicContact CG2-CD1 3.72Å; T291-L295 WeakPolarHBondContact O-CB 3.39Å; T291-L295 WeakPolarHBondContact O-CD1 3.36Å; T291-L295 VanDerWaalsContact O-CG 3.24Å; T291-L295 WeakPolarHBondContact O-CG 3.34Å; T291-L295 PolarHBondContact O-N 3.24Å; S293-L295 PolarHBondContact O-N 2.96Å; L295-S298 PolarHBondContact O-N 2.69Å; L295-L299 PolarHBondContact O-N 3.12Å; L295-L299 VanDerWaalsContact O-N 3.14Å; L295-L314 HydrophobicContact CB-CD1 4.34Å; L295-L314 HydrophobicContact CB-CD2 3.66Å; L295-L314 HydrophobicContact CD1-CD2 4.21Å; L295-L558 HydrophobicContact CD2-CD1 3.59Å; L295-L558 HydrophobicContact CG-CD1 4.28Å; L295-L563 HydrophobicContact CD2-CD1 3.7Å; L295-F566 HydrophobicContact CD1-CE1 3.68Å; L295-F566 HydrophobicContact CD1-CE2 4.44Å; L295-F566 HydrophobicContact CD1-CZ 3.64Å; L295-F566 HydrophobicContact CD2-CD1 4.02Å; L295-F566 HydrophobicContact CD2-CE1 4Å; L295-F566 HydrophobicContact CD2-CG 4.43Å; L295-F566 HydrophobicContact CD2-CZ 4.36Å; L295-I626 HydrophobicContact CD1-CG2 3.82Å
296	T	85.2	Confident	77.7	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-46.5	178.1	-60.5	0	0	0	0	111.2	I292 S293 I294 L299 D307 K310 K311	I292-T296 VanDerWaalsContact O-CB 3.29Å; I292-T296 WeakPolarHBondContact O-CB 3.42Å; I292-T296 PolarHBondContact O-N 3.49Å; I292-T296 PolarHBondContact O-OG1 2.91Å; S293-T296 WeakPolarHBondContact O-CB 3.48Å; S293-T296 PolarHBondContact O-N 3.42Å; I294-T296 PolarHBondContact O-N 2.97Å; T296-L299 PolarHBondContact O-N 3.16Å; T296-D307 HydrophobicContact CG2-CB 4.34Å; T296-D307 WeakPolarHBondContact CG2-O 3.16Å; T296-K310 HydrophobicContact CG2-CB 3.47Å; T296-K310 VanDerWaalsContact CG2-CB 3.47Å; T296-K310 HydrophobicContact CG2-CD 4.42Å; T296-K310 WeakPolarHBondContact O-CD 3.5Å; T296-K311 HydrophobicContact CG2-CG 3.76Å; T296-K311 VanDerWaalsContact OG1-CG 3.25Å; T296-K311 WeakPolarHBondContact OG1-CG 3.49Å
297	R	82.1	Confident	78.2	Confident	56 Å²	56	46.8 Å²	46.8	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-40.6	176.6	-171.4	-178.9	-176.2	128.3	-16	112.1	S293 I294 L299 P301 E555	S293-R297 PolarHBondContact O-N 2.95Å; I294-R297 PolarHBondContact O-N 3.22Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.06Å; R297-P301 WeakPolarHBondContact O-CA 3.45Å; R297-E555 IonicContact CZ-OE1 3.19Å; R297-E555 IonicContact CZ-OE2 3.78Å; R297-E555 IonicContact NE-OE2 2.69Å; R297-E555 IonicContact NH1-OE1 3.08Å; R297-E555 PolarHBondContact NH1-OE1 3.32Å; R297-E555 IonicContact NH1-OE2 3.15Å; R297-E555 PolarHBondContact NH1-OE2 3.28Å; R297-E555 IonicContact NH2-OE1 3.32Å; R297-E555 PolarHBondContact NH2-OE1 3.45Å; R297-E555 IonicContact NH2-OE2 2.7Å; R297-E555 PolarHBondContact NH2-OE2 2.56Å
298	S	80.8	Confident	79.1	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-72.4	-18.3	-177.5	-52.1	0	0	0	0	114	I294 L295 L558	I294-S298 WeakPolarHBondContact O-CB 3.48Å; I294-S298 PolarHBondContact O-N 3.27Å; I294-S298 PolarHBondContact O-OG 3.01Å; L295-S298 PolarHBondContact O-N 2.69Å; S298-L558 PolarHBondContact OG-N 3.44Å; S298-L558 VanDerWaalsContact OG-N 3.1Å
299	L	80.6	Confident	80.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-72.7	-36.1	-177.5	-171.3	150.5	0	0	0	113.2	L295 T296 R297 I313 L314 L317 I357	L295-L299 PolarHBondContact O-N 3.12Å; L295-L299 VanDerWaalsContact O-N 3.14Å; T296-L299 PolarHBondContact O-N 3.16Å; R297-L299 VanDerWaalsContact C-N 3.3Å; R297-L299 PolarHBondContact O-N 3.06Å; L299-I313 HydrophobicContact CD1-CB 4.47Å; L299-I313 HydrophobicContact CD1-CG2 4.02Å; L299-I313 HydrophobicContact CD2-CB 4.45Å; L299-I313 HydrophobicContact CD2-CG2 3.88Å; L299-L314 HydrophobicContact CD1-CB 4.1Å; L299-L314 HydrophobicContact CD1-CD1 4.42Å; L299-L317 HydrophobicContact CD1-CD1 3.66Å; L299-L317 HydrophobicContact CG-CD1 4.44Å; L299-I357 HydrophobicContact CG-CD1 4.18Å; L299-I357 WeakPolarHBondContact O-CD1 3.38Å
300	A	79.5	Confident	81.8	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.017	18%	0.178	C	C	.	.	S	Bend	trans	-146.6	78.1	175.8	0	0	0	0	0	108.7	S302 I303 K310 Y353	A300-S302 VanDerWaalsContact C-N 3.26Å; A300-S302 PolarHBondContact O-N 3.29Å; A300-I303 HydrophobicContact CB-CB 4.36Å; A300-I303 HydrophobicContact CB-CD1 4.17Å; A300-I303 HydrophobicContact CB-CG1 4.35Å; A300-I303 PolarHBondContact O-N 2.85Å; A300-K310 HydrophobicContact CB-CD 4.36Å; A300-K310 WeakPolarHBondContact O-CE 2.79Å; A300-K310 PolarHBondContact O-NZ 3.46Å; A300-Y353 HydrophobicContact CB-CD2 4.28Å; A300-Y353 HydrophobicContact CB-CG 4.45Å
301	P	77.3	Confident	82.8	Confident	27 Å²	27	28.2 Å²	28.2	18%	0.175	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.9	-173.2	31.6	-37.1	0	0	0	113.3	R297 H496 W548 I557	R297-P301 WeakPolarHBondContact O-CA 3.45Å; P301-H496 PolarHBondContact O-CE1 3.34Å; P301-H496 PolarHBondContact O-NE2 2.8Å; P301-H496 VanDerWaalsContact O-NE2 3.09Å; P301-W548 HydrophobicContact CB-CH2 3.61Å; P301-W548 HydrophobicContact CB-CZ3 4.17Å; P301-W548 HydrophobicContact CG-CH2 3.75Å; P301-W548 WeakPolarHBondContact O-CZ3 3.09Å; P301-I557 HydrophobicContact CB-CD1 4.32Å
302	S	79	Confident	83.5	Confident	21 Å²	21	28 Å²	28	15%	0.147	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.3	176.3	61	0	0	0	0	114.9	A300 Y353 H496 L500	A300-S302 VanDerWaalsContact C-N 3.26Å; A300-S302 PolarHBondContact O-N 3.29Å; S302-Y353 WeakPolarHBondContact OG-CE2 3.31Å; S302-Y353 PolarHBondContact OG-OH 3.27Å; S302-H496 WeakPolarHBondContact CA-NE2 3.14Å; S302-H496 PolarHBondContact O-NE2 3.11Å; S302-L500 VanDerWaalsContact O-CD1 3.32Å; S302-L500 WeakPolarHBondContact O-CD1 3.22Å
303	I	82.7	Confident	84	Confident	13 Å²	13	27.3 Å²	27.3	7%	0.067	16%	0.155	C	C	.	.	S	Bend	trans	-105.8	117.1	178	-60.9	-177.9	0	0	0	106.5	A300 K310 A346 Q349 I350 Y353	A300-I303 HydrophobicContact CB-CB 4.36Å; A300-I303 HydrophobicContact CB-CD1 4.17Å; A300-I303 HydrophobicContact CB-CG1 4.35Å; A300-I303 PolarHBondContact O-N 2.85Å; I303-K310 PolarHBondContact O-NZ 2.91Å; I303-A346 HydrophobicContact CD1-CB 4.22Å; I303-A346 HydrophobicContact CG2-CB 4.2Å; I303-Q349 HydrophobicContact CD1-CB 4.32Å; I303-Q349 HydrophobicContact CD1-CG 4.13Å; I303-Q349 HydrophobicContact CG1-CG 4.49Å; I303-I350 HydrophobicContact CD1-CB 4.48Å; I303-I350 HydrophobicContact CD1-CG1 3.48Å; I303-I350 VanDerWaalsContact CD1-CG1 3.48Å; I303-Y353 HydrophobicContact CD1-CD2 4.08Å; I303-Y353 HydrophobicContact CD1-CE2 4.3Å; I303-Y353 HydrophobicContact CG1-CE2 4.36Å
304	C	77.3	Confident	84.5	Confident	32 Å²	32	23.8 Å²	23.8	22%	0.216	13%	0.131	C	C	.	.			trans	-70.5	141.7	174.5	-160.1	0	0	0	0	110.2	I493 H496	C304-I493 HydrophobicContact CB-CG1 3.94Å; C304-H496 HydrophobicContact CB-CB 4.48Å
305	G	79.6	Confident	84.9	Confident	38 Å²	38	22.2 Å²	22.2	39%	0.392	12%	0.123	S	C	.	.	S	Bend	trans	66.1	-153.7	177.2	0	0	0	0	0	116	D307 K310	G305-D307 PolarHBondContact O-N 3.11Å; G305-K310 WeakPolarHBondContact O-CE 3.26Å; G305-K310 PolarHBondContact O-NZ 2.88Å; G305-K310 VanDerWaalsContact O-NZ 3.12Å
306	H	82.9	Confident	85.3	Confident	65 Å²	65	22.3 Å²	22.3	30%	0.301	12%	0.123	S	C	.	.			trans	55.6	37.4	-177.1	-57	-62.9	0	0	0	115.9	E308 V309 K310	H306-E308 VanDerWaalsContact C-N 3.33Å; H306-E308 PolarHBondContact O-N 3.26Å; H306-V309 HydrophobicContact CB-CB 4.15Å; H306-V309 HydrophobicContact CB-CG2 4.02Å; H306-V309 WeakPolarHBondContact O-CB 3.44Å; H306-V309 PolarHBondContact O-N 3.1Å; H306-K310 PolarHBondContact O-N 3.26Å
307	D	85.7	Confident	85.5	Confident	83 Å²	83	22.2 Å²	22.2	44%	0.444	12%	0.123	S	C	.	.	H	α-helix	trans	-56.5	-39.8	-176.3	-66.9	-16.7	0	0	0	114	T296 G305 V309 K310 K311	T296-D307 HydrophobicContact CG2-CB 4.34Å; T296-D307 WeakPolarHBondContact CG2-O 3.16Å; G305-D307 PolarHBondContact O-N 3.11Å; D307-V309 VanDerWaalsContact C-N 3.34Å; D307-V309 PolarHBondContact O-N 3.19Å; D307-K310 PolarHBondContact O-N 2.8Å; D307-K311 WeakPolarHBondContact O-CB 3.43Å; D307-K311 VanDerWaalsContact O-CG 3.24Å; D307-K311 WeakPolarHBondContact O-CG 3.34Å; D307-K311 PolarHBondContact O-N 3.12Å
308	E	87.2	Confident	85.8	Confident	53 Å²	53	19.7 Å²	19.7	25%	0.248	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-36.3	177.3	-59	-47.7	133.7	0	0	112.6	H306 K311 A312 Y646	H306-E308 VanDerWaalsContact C-N 3.33Å; H306-E308 PolarHBondContact O-N 3.26Å; E308-K311 PolarHBondContact O-N 3.32Å; E308-K311 IonicContact OE1-NZ 2.69Å; E308-K311 PolarHBondContact OE1-NZ 2.92Å; E308-K311 WeakPolarHBondContact OE2-CD 3.49Å; E308-K311 IonicContact OE2-NZ 3.69Å; E308-K311 PolarHBondContact OE2-NZ 2.97Å; E308-A312 WeakPolarHBondContact O-CB 3.44Å; E308-A312 PolarHBondContact O-N 2.92Å; E308-Y646 HydrophobicContact CB-CD1 3.74Å; E308-Y646 HydrophobicContact CB-CE1 3.63Å; E308-Y646 HydrophobicContact CG-CD1 3.86Å; E308-Y646 HydrophobicContact CG-CE1 3.85Å; E308-Y646 HydrophobicContact CG-CG 4.34Å
309	V	90.1	Very high	86.1	Confident	3 Å²	3	19.7 Å²	19.7	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-67.1	-45.4	175.2	-171.2	0	0	0	0	109.9	H306 D307 K311 A312 I313 L339 F479 L481	H306-V309 HydrophobicContact CB-CB 4.15Å; H306-V309 HydrophobicContact CB-CG2 4.02Å; H306-V309 WeakPolarHBondContact O-CB 3.44Å; H306-V309 PolarHBondContact O-N 3.1Å; D307-V309 VanDerWaalsContact C-N 3.34Å; D307-V309 PolarHBondContact O-N 3.19Å; V309-K311 PolarHBondContact O-N 2.75Å; V309-A312 WeakPolarHBondContact O-CB 3.13Å; V309-A312 PolarHBondContact O-N 3.1Å; V309-I313 HydrophobicContact CG1-CD1 3.92Å; V309-I313 WeakPolarHBondContact O-CD1 3.42Å; V309-I313 VanDerWaalsContact O-CG1 3.27Å; V309-I313 WeakPolarHBondContact O-CG1 3.48Å; V309-I313 PolarHBondContact O-N 2.92Å; V309-L339 HydrophobicContact CG1-CD2 3.58Å; V309-F479 HydrophobicContact CG1-CD2 4.46Å; V309-F479 HydrophobicContact CG2-CB 4.41Å; V309-F479 HydrophobicContact CG2-CD1 4.28Å; V309-F479 HydrophobicContact CG2-CG 4.17Å; V309-L481 HydrophobicContact CG2-CD2 3.75Å
310	K	90.1	Very high	86.2	Confident	13 Å²	13	20 Å²	20	6%	0.057	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-39.4	176.6	-68.1	179.4	-168.1	175.9	0	112	T296 A300 I303 G305 H306 D307 I313 L314	T296-K310 HydrophobicContact CG2-CB 3.47Å; T296-K310 VanDerWaalsContact CG2-CB 3.47Å; T296-K310 HydrophobicContact CG2-CD 4.42Å; T296-K310 WeakPolarHBondContact O-CD 3.5Å; A300-K310 HydrophobicContact CB-CD 4.36Å; A300-K310 WeakPolarHBondContact O-CE 2.79Å; A300-K310 PolarHBondContact O-NZ 3.46Å; I303-K310 PolarHBondContact O-NZ 2.91Å; G305-K310 WeakPolarHBondContact O-CE 3.26Å; G305-K310 PolarHBondContact O-NZ 2.88Å; G305-K310 VanDerWaalsContact O-NZ 3.12Å; H306-K310 PolarHBondContact O-N 3.26Å; D307-K310 PolarHBondContact O-N 2.8Å; K310-I313 PolarHBondContact O-N 3.15Å; K310-L314 PolarHBondContact O-N 2.98Å
311	K	90.1	Very high	86.6	Confident	49 Å²	49	20.8 Å²	20.8	21%	0.213	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-43.8	172.6	-72	165.7	-165.7	169.4	0	111.2	I292 T296 D307 E308 V309 I313 L314 C315 M643	I292-K311 HydrophobicContact CG2-CG 4.46Å; T296-K311 HydrophobicContact CG2-CG 3.76Å; T296-K311 VanDerWaalsContact OG1-CG 3.25Å; T296-K311 WeakPolarHBondContact OG1-CG 3.49Å; D307-K311 WeakPolarHBondContact O-CB 3.43Å; D307-K311 VanDerWaalsContact O-CG 3.24Å; D307-K311 WeakPolarHBondContact O-CG 3.34Å; D307-K311 PolarHBondContact O-N 3.12Å; E308-K311 PolarHBondContact O-N 3.32Å; E308-K311 IonicContact OE1-NZ 2.69Å; E308-K311 PolarHBondContact OE1-NZ 2.92Å; E308-K311 WeakPolarHBondContact OE2-CD 3.49Å; E308-K311 IonicContact OE2-NZ 3.69Å; E308-K311 PolarHBondContact OE2-NZ 2.97Å; V309-K311 PolarHBondContact O-N 2.75Å; K311-I313 VanDerWaalsContact C-N 3.32Å; K311-I313 PolarHBondContact O-N 2.83Å; K311-L314 WeakPolarHBondContact O-CB 3.34Å; K311-L314 PolarHBondContact O-N 2.9Å; K311-C315 PolarHBondContact O-N 3.32Å; K311-C315 PolarHBondContact O-SG 3.37Å; K311-M643 HydrophobicContact CB-CE 3.4Å; K311-M643 VanDerWaalsContact CB-CE 3.4Å
312	A	91.8	Very high	87	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-37.1	177.4	0	0	0	0	0	112.5	E308 V309 C315 L316 L477 F479 M643	E308-A312 WeakPolarHBondContact O-CB 3.44Å; E308-A312 PolarHBondContact O-N 2.92Å; V309-A312 WeakPolarHBondContact O-CB 3.13Å; V309-A312 PolarHBondContact O-N 3.1Å; A312-C315 WeakPolarHBondContact O-CB 3.05Å; A312-C315 PolarHBondContact O-N 3.08Å; A312-L316 WeakPolarHBondContact O-CB 3.46Å; A312-L316 PolarHBondContact O-N 2.94Å; A312-L477 HydrophobicContact CB-CD1 3.64Å; A312-F479 HydrophobicContact CB-CE2 3.38Å; A312-F479 HydrophobicContact CB-CZ 3.49Å; A312-F479 VanDerWaalsContact CB-CZ 3.49Å; A312-M643 HydrophobicContact CB-CE 4.17Å; A312-M643 HydrophobicContact CB-SD 4.09Å
313	I	92.4	Very high	87.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.2	-34.4	174.8	-65.4	163.2	0	0	0	111.5	L299 V309 K310 K311 C315 L316 L317 I350 V354	L299-I313 HydrophobicContact CD1-CB 4.47Å; L299-I313 HydrophobicContact CD1-CG2 4.02Å; L299-I313 HydrophobicContact CD2-CB 4.45Å; L299-I313 HydrophobicContact CD2-CG2 3.88Å; V309-I313 HydrophobicContact CG1-CD1 3.92Å; V309-I313 WeakPolarHBondContact O-CD1 3.42Å; V309-I313 VanDerWaalsContact O-CG1 3.27Å; V309-I313 WeakPolarHBondContact O-CG1 3.48Å; V309-I313 PolarHBondContact O-N 2.92Å; K310-I313 PolarHBondContact O-N 3.15Å; K311-I313 VanDerWaalsContact C-N 3.32Å; K311-I313 PolarHBondContact O-N 2.83Å; I313-C315 VanDerWaalsContact C-N 3.33Å; I313-L316 WeakPolarHBondContact O-CB 3.26Å; I313-L316 PolarHBondContact O-N 3.09Å; I313-L317 HydrophobicContact CG2-CD1 4.36Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 WeakPolarHBondContact O-CB 3.31Å; I313-L317 VanDerWaalsContact O-CG 3.32Å; I313-L317 WeakPolarHBondContact O-CG 3.45Å; I313-L317 PolarHBondContact O-N 2.93Å; I313-I350 HydrophobicContact CD1-CG2 3.26Å; I313-V354 HydrophobicContact CG2-CG2 3.38Å
314	L	91.5	Very high	87.2	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-42.3	169.8	-177.6	66.9	0	0	0	111.2	L295 L299 K310 K311 L317 I318 I626	L295-L314 HydrophobicContact CB-CD1 4.34Å; L295-L314 HydrophobicContact CB-CD2 3.66Å; L295-L314 HydrophobicContact CD1-CD2 4.21Å; L299-L314 HydrophobicContact CD1-CB 4.1Å; L299-L314 HydrophobicContact CD1-CD1 4.42Å; K310-L314 PolarHBondContact O-N 2.98Å; K311-L314 WeakPolarHBondContact O-CB 3.34Å; K311-L314 PolarHBondContact O-N 2.9Å; L314-L317 PolarHBondContact O-N 3.12Å; L314-I318 HydrophobicContact CD1-CD1 4.14Å; L314-I318 HydrophobicContact CG-CD1 4.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.45Å; L314-I318 PolarHBondContact O-N 2.91Å; L314-I626 HydrophobicContact CD2-CD1 3.87Å; L314-I626 HydrophobicContact CG-CD1 4.08Å
315	C	92	Very high	87.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-41.7	173.2	-67.2	0	0	0	0	112.4	K311 A312 I313 I318 G319 I335 L619 A622	K311-C315 PolarHBondContact O-N 3.32Å; K311-C315 PolarHBondContact O-SG 3.37Å; A312-C315 WeakPolarHBondContact O-CB 3.05Å; A312-C315 PolarHBondContact O-N 3.08Å; I313-C315 VanDerWaalsContact C-N 3.33Å; C315-I318 PolarHBondContact O-N 3.3Å; C315-G319 PolarHBondContact O-N 3.28Å; C315-I335 HydrophobicContact CB-CD1 4.15Å; C315-L619 HydrophobicContact CB-CD2 4.21Å; C315-A622 HydrophobicContact CB-CB 4.03Å
316	L	92.8	Very high	88	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-48.7	174.1	177.2	85	0	0	0	112	A312 I313 I318 G319 I335 V337 V401 L445	A312-L316 WeakPolarHBondContact O-CB 3.46Å; A312-L316 PolarHBondContact O-N 2.94Å; I313-L316 WeakPolarHBondContact O-CB 3.26Å; I313-L316 PolarHBondContact O-N 3.09Å; L316-I318 VanDerWaalsContact C-N 3.26Å; L316-I318 PolarHBondContact O-N 3.33Å; L316-G319 PolarHBondContact O-N 2.81Å; L316-I335 WeakPolarHBondContact CD1-O 3.29Å; L316-V337 HydrophobicContact CB-CG2 4.36Å; L316-V337 HydrophobicContact CD1-CG2 4.05Å; L316-V401 HydrophobicContact CD2-CG1 4.04Å; L316-L445 HydrophobicContact CD2-CB 3.87Å; L316-L445 HydrophobicContact CD2-CD1 4.19Å; L316-L445 HydrophobicContact CD2-CD2 4.13Å; L316-L445 HydrophobicContact CD2-CG 4.28Å
317	L	90.1	Very high	88.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-32.3	-178.8	-76.7	171.9	0	0	0	112.7	L299 I313 L314 V354 I357 A358 V401 I567 K571	L299-L317 HydrophobicContact CD1-CD1 3.66Å; L299-L317 HydrophobicContact CG-CD1 4.44Å; I313-L317 HydrophobicContact CG2-CD1 4.36Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 WeakPolarHBondContact O-CB 3.31Å; I313-L317 VanDerWaalsContact O-CG 3.32Å; I313-L317 WeakPolarHBondContact O-CG 3.45Å; I313-L317 PolarHBondContact O-N 2.93Å; L314-L317 PolarHBondContact O-N 3.12Å; L317-V354 HydrophobicContact CD2-CG1 4.24Å; L317-I357 HydrophobicContact CD1-CG2 4.05Å; L317-A358 HydrophobicContact CD2-CB 3.68Å; L317-V401 HydrophobicContact CD2-CG2 4.2Å; L317-I567 HydrophobicContact CB-CD1 4.34Å; L317-I567 HydrophobicContact CB-CG2 4.41Å; L317-I567 HydrophobicContact CD1-CD1 3.98Å; L317-K571 WeakPolarHBondContact O-CE 3.3Å
318	I	89.2	Confident	87.7	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-89.4	-33.8	-178.3	-67.6	170.4	0	0	0	111.8	L314 C315 L316 I567 A570 K625 I626	L314-I318 HydrophobicContact CD1-CD1 4.14Å; L314-I318 HydrophobicContact CG-CD1 4.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.45Å; L314-I318 PolarHBondContact O-N 2.91Å; C315-I318 PolarHBondContact O-N 3.3Å; L316-I318 VanDerWaalsContact C-N 3.26Å; L316-I318 PolarHBondContact O-N 3.33Å; I318-I567 HydrophobicContact CG1-CG2 4.41Å; I318-A570 HydrophobicContact CD1-CB 4.19Å; I318-A570 HydrophobicContact CG1-CB 4.16Å; I318-A570 HydrophobicContact CG2-CB 4.04Å; I318-K625 HydrophobicContact CG2-CB 3.65Å; I318-K625 HydrophobicContact CG2-CD 3.54Å; I318-K625 HydrophobicContact CG2-CG 4.29Å; I318-K625 PolarHBondContact O-NZ 2.98Å; I318-I626 HydrophobicContact CD1-CD1 4.11Å; I318-I626 HydrophobicContact CD1-CG1 3.32Å
319	G	86.9	Confident	87.5	Confident	6 Å²	6	42.3 Å²	42.3	6%	0.062	24%	0.237	C	C	.	.			trans	66.8	161.8	-178.2	0	0	0	0	0	114.1	C315 L316 K625	C315-G319 PolarHBondContact O-N 3.28Å; L316-G319 PolarHBondContact O-N 2.81Å; G319-K625 WeakPolarHBondContact O-CD 3.06Å; G319-K625 WeakPolarHBondContact O-CE 3.34Å; G319-K625 PolarHBondContact O-NZ 3.39Å
320	G	83.4	Confident	87.1	Confident	7 Å²	7	44.2 Å²	44.2	7%	0.072	24%	0.244	C	C	.	.			trans	-77.8	-167.9	171.9	0	0	0	0	0	113.1	G333 T621 K625	G320-G333 WeakPolarHBondContact CA-O 3.46Å; G320-G333 PolarHBondContact N-O 3.23Å; G320-T621 VanDerWaalsContact CA-OG1 3.32Å; G320-T621 WeakPolarHBondContact CA-OG1 3.26Å; G320-K625 PolarHBondContact O-NZ 3.01Å
321	T	87.1	Confident	86.8	Confident	19 Å²	19	47 Å²	47	12%	0.117	26%	0.259	C	S	.	.			trans	-94.7	122.8	174.5	50.2	0	0	0	0	111.4	N574 P575	T321-N574 HydrophobicContact CG2-CB 4.2Å; T321-P575 HydrophobicContact CG2-CG 4.17Å
322	E	85.8	Confident	86.7	Confident	65 Å²	65	45.7 Å²	45.7	30%	0.304	25%	0.253	S	S	.	.			trans	-66.3	137.2	166.9	-66.6	-168.9	-170.1	0	0	110	R330	E322-R330 IonicContact OE1-CZ 2.91Å; E322-R330 IonicContact OE1-NE 3.12Å; E322-R330 IonicContact OE1-NH2 3.82Å; E322-R330 PolarHBondContact OE1-NH2 3.11Å; E322-R330 IonicContact OE2-CZ 2.68Å; E322-R330 IonicContact OE2-NE 3.83Å; E322-R330 PolarHBondContact OE2-NE 2.87Å; E322-R330 IonicContact OE2-NH2 3.62Å; E322-R330 PolarHBondContact OE2-NH2 3.36Å
323	K	83.4	Confident	86.4	Confident	90 Å²	90	45.7 Å²	45.7	39%	0.391	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.5	172.1	-66.3	176.6	-176.3	174.5	0	109.6	R330 L331	K323-R330 WeakPolarHBondContact O-CA 3.38Å; K323-L331 HydrophobicContact CB-CB 4.28Å; K323-L331 HydrophobicContact CB-CD1 4.28Å; K323-L331 HydrophobicContact CD-CD1 4.49Å; K323-L331 PolarHBondContact N-O 3.42Å; K323-L331 PolarHBondContact O-N 2.84Å
324	K	83.2	Confident	86.3	Confident	174 Å²	174	46.7 Å²	46.7	76%	0.757	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.9	164.4	-64.2	-178.2	-178.4	-178.8	0	107.4
325	L	86.3	Confident	86.4	Confident	73 Å²	73	46.6 Å²	46.6	38%	0.382	26%	0.257	S	S	.	.			trans	-81.2	154	174	-71.2	169.3	0	0	0	109.5	N327 G328 T329 L331	L325-N327 WeakPolarHBondContact CB-OD1 3.46Å; L325-N327 PolarHBondContact O-N 3.16Å; L325-N327 VanDerWaalsContact O-N 3.15Å; L325-G328 PolarHBondContact O-N 3.01Å; L325-T329 WeakPolarHBondContact CD1-OG1 3.41Å; L325-T329 PolarHBondContact N-O 3.27Å; L325-L331 HydrophobicContact CD1-CD1 4.21Å; L325-L331 HydrophobicContact CD1-CG 4.28Å
326	P	85.6	Confident	86.5	Confident	141 Å²	141	46.7 Å²	46.7	92%	0.916	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.8	-176.7	25.4	-34.9	0	0	0	113.5	G328	P326-G328 PolarHBondContact O-N 3.2Å
327	N	86.7	Confident	86.5	Confident	114 Å²	114	46.6 Å²	46.6	61%	0.61	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	7.9	171.8	68.5	-4.2	0	0	0	113.9	L325 T329	L325-N327 WeakPolarHBondContact CB-OD1 3.46Å; L325-N327 PolarHBondContact O-N 3.16Å; L325-N327 VanDerWaalsContact O-N 3.15Å; N327-T329 VanDerWaalsContact C-N 3.27Å; N327-T329 PolarHBondContact ND2-OG1 2.91Å; N327-T329 PolarHBondContact O-N 3.02Å; N327-T329 WeakPolarHBondContact OD1-CB 3.43Å; N327-T329 PolarHBondContact OD1-N 3.17Å; N327-T329 PolarHBondContact OD1-OG1 3.07Å
328	G	77.1	Confident	86.5	Confident	61 Å²	61	46.6 Å²	46.6	63%	0.629	26%	0.257	S	S	*	.	S	Bend	trans	82	-9	-179.5	0	0	0	0	0	115.3	L325 P326	L325-G328 PolarHBondContact O-N 3.01Å; P326-G328 PolarHBondContact O-N 3.2Å
329	T	82.5	Confident	86.7	Confident	67 Å²	67	46.5 Å²	46.5	41%	0.411	26%	0.257	S	S	.	.			trans	-70.9	142.5	176	64.3	0	0	0	0	111.3	L325 N327	L325-T329 WeakPolarHBondContact CD1-OG1 3.41Å; L325-T329 PolarHBondContact N-O 3.27Å; N327-T329 VanDerWaalsContact C-N 3.27Å; N327-T329 PolarHBondContact ND2-OG1 2.91Å; N327-T329 PolarHBondContact O-N 3.02Å; N327-T329 WeakPolarHBondContact OD1-CB 3.43Å; N327-T329 PolarHBondContact OD1-N 3.17Å; N327-T329 PolarHBondContact OD1-OG1 3.07Å
330	R	81.8	Confident	86.7	Confident	43 Å²	43	46.4 Å²	46.4	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.5	179.8	172.8	174.6	168.4	-95.8	-7.1	109.3	E322 K323 D334 Q424 R441	E322-R330 IonicContact OE1-CZ 2.91Å; E322-R330 IonicContact OE1-NE 3.12Å; E322-R330 IonicContact OE1-NH2 3.82Å; E322-R330 PolarHBondContact OE1-NH2 3.11Å; E322-R330 IonicContact OE2-CZ 2.68Å; E322-R330 IonicContact OE2-NE 3.83Å; E322-R330 PolarHBondContact OE2-NE 2.87Å; E322-R330 IonicContact OE2-NH2 3.62Å; E322-R330 PolarHBondContact OE2-NH2 3.36Å; K323-R330 WeakPolarHBondContact O-CA 3.38Å; R330-D334 IonicContact NH2-OD2 3.48Å; R330-Q424 PolarHBondContact NH1-O 3.03Å; R330-R441 VanDerWaalsContact NH2-CD 3.28Å
331	L	83.9	Confident	86.9	Confident	72 Å²	72	46 Å²	46	38%	0.377	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.8	169.4	-60.2	174.6	0	0	0	109.4	K323 L325 G333	K323-L331 HydrophobicContact CB-CB 4.28Å; K323-L331 HydrophobicContact CB-CD1 4.28Å; K323-L331 HydrophobicContact CD-CD1 4.49Å; K323-L331 PolarHBondContact N-O 3.42Å; K323-L331 PolarHBondContact O-N 2.84Å; L325-L331 HydrophobicContact CD1-CD1 4.21Å; L325-L331 HydrophobicContact CD1-CG 4.28Å; L331-G333 PolarHBondContact O-N 2.9Å
332	R	87.9	Confident	86.9	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.079	25%	0.25	C	C	.	.			trans	-65.5	125.2	177.3	177.8	-179	138.7	-142.7	-24.3	110.4	D334 N336 M422 D476 R611 R618	R332-D334 HydrophobicContact CG-CB 4.1Å; R332-D334 VanDerWaalsContact CZ-O 3.26Å; R332-D334 PolarHBondContact NE-O 2.95Å; R332-D334 PolarHBondContact NH2-O 3Å; R332-N336 VanDerWaalsContact CZ-ND2 3.26Å; R332-N336 PolarHBondContact NH1-ND2 3.21Å; R332-N336 PolarHBondContact NH2-ND2 3.45Å; R332-M422 VanDerWaalsContact CD-O 3.3Å; R332-M422 WeakPolarHBondContact CD-O 3.29Å; R332-M422 PolarHBondContact NH1-O 3.32Å; R332-D476 IonicContact CZ-OD1 2.63Å; R332-D476 IonicContact NH1-OD1 3.49Å; R332-D476 VanDerWaalsContact NH2-CG 3.28Å; R332-D476 IonicContact NH2-OD1 3.07Å; R332-D476 PolarHBondContact NH2-OD1 3.45Å; R332-D476 IonicContact NH2-OD2 3.22Å; R332-D476 PolarHBondContact NH2-OD2 3.32Å; R332-D476 VanDerWaalsContact NH2-OD2 3.12Å; R332-R611 VanDerWaalsContact NH1-NH2 3.11Å; R332-R618 PolarHBondContact O-NE 2.92Å; R332-R618 PolarHBondContact O-NH2 3.06Å
333	G	85.1	Confident	86.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.257	C	S	.	.			trans	-93	-17.9	172.8	0	0	0	0	0	113.9	G320 L331	G320-G333 WeakPolarHBondContact CA-O 3.46Å; G320-G333 PolarHBondContact N-O 3.23Å; L331-G333 PolarHBondContact O-N 2.9Å
334	D	91.2	Very high	86.8	Confident	20 Å²	20	47.3 Å²	47.3	11%	0.107	28%	0.277	C	S	.	.			trans	-72	140.1	-173.2	-46.8	-56.2	0	0	0	111.5	R330 R332	R330-D334 IonicContact NH2-OD2 3.48Å; R332-D334 HydrophobicContact CG-CB 4.1Å; R332-D334 VanDerWaalsContact CZ-O 3.26Å; R332-D334 PolarHBondContact NE-O 2.95Å; R332-D334 PolarHBondContact NH2-O 3Å
335	I	92.5	Very high	86.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.245	C	C	.	.			trans	-95.8	146.3	176.8	-64.6	160.6	0	0	0	107.6	C315 L316 V337 S443 D476 R618 L619 A622	C315-I335 HydrophobicContact CB-CD1 4.15Å; L316-I335 WeakPolarHBondContact CD1-O 3.29Å; I335-V337 HydrophobicContact CG2-CG2 4.27Å; I335-S443 WeakPolarHBondContact O-CB 3.08Å; I335-D476 HydrophobicContact CG2-CB 4.18Å; I335-R618 HydrophobicContact CD1-CB 4.39Å; I335-R618 HydrophobicContact CG1-CB 3.93Å; I335-L619 HydrophobicContact CD1-CD2 4Å; I335-A622 HydrophobicContact CD1-CB 4.14Å
336	N	93.6	Very high	86.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	24%	0.24	C	C	.	.			trans	-121.8	135.2	173.7	-71.3	-19.1	0	0	0	109.7	R332 M422 V444 R474 F475 D476 L477	R332-N336 VanDerWaalsContact CZ-ND2 3.26Å; R332-N336 PolarHBondContact NH1-ND2 3.21Å; R332-N336 PolarHBondContact NH2-ND2 3.45Å; N336-M422 HydrophobicContact CB-CE 4.11Å; N336-M422 WeakPolarHBondContact ND2-CE 3.38Å; N336-V444 WeakPolarHBondContact CA-O 3.5Å; N336-V444 PolarHBondContact OD1-N 3.28Å; N336-R474 PolarHBondContact ND2-O 3.17Å; N336-F475 HydrophobicContact CB-CD1 3.88Å; N336-F475 HydrophobicContact CB-CE1 4.45Å; N336-D476 PolarHBondContact O-N 2.83Å; N336-L477 PolarHBondContact O-N 3.1Å; N336-L477 VanDerWaalsContact O-N 3.1Å
337	V	92.7	Very high	86.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.1	-177.1	178.5	0	0	0	0	110	L316 I335 L339 V444 L445 A446 L477 F479	L316-V337 HydrophobicContact CB-CG2 4.36Å; L316-V337 HydrophobicContact CD1-CG2 4.05Å; I335-V337 HydrophobicContact CG2-CG2 4.27Å; V337-L339 HydrophobicContact CG1-CD2 3.91Å; V337-V444 PolarHBondContact N-O 3.39Å; V337-L445 HydrophobicContact CB-CD1 3.8Å; V337-L445 HydrophobicContact CG1-CD1 3.87Å; V337-L445 WeakPolarHBondContact O-CA 3.38Å; V337-A446 PolarHBondContact O-N 3.18Å; V337-L477 WeakPolarHBondContact CA-O 3.24Å; V337-L477 HydrophobicContact CG2-CB 4.3Å; V337-L477 HydrophobicContact CG2-CD1 4.45Å; V337-F479 HydrophobicContact CG1-CD2 3.92Å; V337-F479 HydrophobicContact CG1-CE2 4.05Å
338	L	92.1	Very high	86.8	Confident	2 Å²	2	28 Å²	28	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	172.4	-179.6	65.2	0	0	0	110.2	V340 F407 A446 A448 L465 L472 F475 L477 I478 F479	L338-V340 HydrophobicContact CD2-CG2 3.93Å; L338-V340 HydrophobicContact CG-CG2 3.92Å; L338-F407 HydrophobicContact CD1-CD1 4.24Å; L338-A446 WeakPolarHBondContact CA-O 3.47Å; L338-A446 HydrophobicContact CD1-CB 3.6Å; L338-A448 HydrophobicContact CD1-CB 4.15Å; L338-L465 HydrophobicContact CD2-CD2 4.01Å; L338-L472 HydrophobicContact CD2-CD2 4.39Å; L338-F475 HydrophobicContact CB-CB 4.36Å; L338-F475 HydrophobicContact CB-CD1 3.76Å; L338-F475 HydrophobicContact CB-CD2 4.27Å; L338-F475 HydrophobicContact CB-CE1 4.08Å; L338-F475 HydrophobicContact CB-CG 3.87Å; L338-F475 HydrophobicContact CB-CZ 4.46Å; L338-F475 HydrophobicContact CD1-CZ 4.35Å; L338-F475 HydrophobicContact CD2-CD2 4.21Å; L338-F475 HydrophobicContact CD2-CE2 4.35Å; L338-L477 PolarHBondContact N-O 3.01Å; L338-I478 HydrophobicContact CB-CG1 4.26Å; L338-I478 HydrophobicContact CB-CG2 4.46Å; L338-I478 HydrophobicContact CD2-CD1 4.26Å; L338-I478 HydrophobicContact CD2-CG1 4.42Å; L338-I478 HydrophobicContact CD2-CG2 4.25Å; L338-I478 WeakPolarHBondContact O-CA 3.47Å; L338-F479 PolarHBondContact O-N 3.09Å
339	L	91.5	Very high	87.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	99.6	175.6	-54.4	-177.3	0	0	0	109.5	V309 V337 K347 I350 L445 A446 A447 A448 F479	V309-L339 HydrophobicContact CG1-CD2 3.58Å; V337-L339 HydrophobicContact CG1-CD2 3.91Å; L339-K347 HydrophobicContact CB-CD 4.07Å; L339-K347 HydrophobicContact CB-CG 4.22Å; L339-K347 WeakPolarHBondContact O-CD 3.38Å; L339-I350 HydrophobicContact CD1-CB 4.45Å; L339-I350 HydrophobicContact CD1-CD1 4.35Å; L339-I350 HydrophobicContact CD1-CG2 4.09Å; L339-L445 HydrophobicContact CD1-CD1 4.28Å; L339-L445 HydrophobicContact CG-CD1 4.26Å; L339-A446 PolarHBondContact N-O 2.76Å; L339-A447 WeakPolarHBondContact O-CA 3.42Å; L339-A448 PolarHBondContact O-N 3.5Å; L339-F479 HydrophobicContact CD2-CB 4.15Å; L339-F479 HydrophobicContact CD2-CD2 4.03Å
340	V	88.8	Confident	87.6	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	150.6	172.7	-176.1	0	0	0	0	108.7	L338 A448 L465 I478 F479 V480 L481	L338-V340 HydrophobicContact CD2-CG2 3.93Å; L338-V340 HydrophobicContact CG-CG2 3.92Å; V340-A448 WeakPolarHBondContact CA-O 3.47Å; V340-L465 HydrophobicContact CB-CD1 4.44Å; V340-L465 HydrophobicContact CG1-CD1 3.85Å; V340-L465 HydrophobicContact CG2-CD1 3.74Å; V340-L465 HydrophobicContact CG2-CD2 4.02Å; V340-L465 HydrophobicContact CG2-CG 4.5Å; V340-I478 HydrophobicContact CG2-CG2 4.03Å; V340-F479 PolarHBondContact N-O 2.84Å; V340-F479 VanDerWaalsContact O-O 3.13Å; V340-V480 HydrophobicContact CB-CG2 4.46Å; V340-L481 WeakPolarHBondContact O-CB 3.49Å; V340-L481 PolarHBondContact O-N 3.02Å
341	G	86.9	Confident	88	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-174.6	170.7	0	0	0	0	0	114.5	K347 A448 P450 L481	G341-K347 PolarHBondContact O-NZ 2.97Å; G341-A448 PolarHBondContact N-O 3.04Å; G341-P450 WeakPolarHBondContact O-CD 3.47Å; G341-L481 CarbonylContact C-O 3.6Å; G341-L481 WeakPolarHBondContact CA-O 3.45Å
342	D	87.1	Confident	88.1	Confident	15 Å²	15	24.8 Å²	24.8	8%	0.08	14%	0.141	C	C	.	.			trans	-67.1	161.9	178.9	-59.1	-38.8	0	0	0	111.9	V345 K347 R454 Y455 L481 D483	D342-V345 HydrophobicContact CB-CG2 3.94Å; D342-K347 WeakPolarHBondContact O-CE 3.12Å; D342-K347 PolarHBondContact O-NZ 3.37Å; D342-R454 WeakPolarHBondContact OD1-CA 3.26Å; D342-Y455 PolarHBondContact OD1-N 3.47Å; D342-L481 PolarHBondContact N-O 2.82Å; D342-D483 HydrophobicContact CB-CB 4.33Å; D342-D483 PolarHBondContact OD2-N 2.76Å
343	P	85.3	Confident	88	Confident	70 Å²	70	25.5 Å²	25.5	46%	0.455	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	167.2	161.2	27.4	-35.8	0	0	0	110.6	V345 G453	P343-V345 PolarHBondContact O-N 2.75Å; P343-G453 WeakPolarHBondContact CD-O 3.46Å
344	S	82.2	Confident	88.2	Confident	115 Å²	115	25.5 Å²	25.5	80%	0.804	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	-18.3	-179.8	-7	0	0	0	0	117.2	A346	S344-A346 PolarHBondContact O-N 3.18Å
345	V	84.8	Confident	87.9	Confident	16 Å²	16	26.2 Å²	26.2	10%	0.097	15%	0.148	C	C	.	.	S	Bend	trans	-75.9	43.5	-178.1	-157.2	0	0	0	0	113.6	D342 P343 K347 L481 D483	D342-V345 HydrophobicContact CB-CG2 3.94Å; P343-V345 PolarHBondContact O-N 2.75Å; V345-K347 PolarHBondContact O-N 2.85Å; V345-L481 HydrophobicContact CB-CB 4.48Å; V345-L481 HydrophobicContact CG1-CB 3.96Å; V345-D483 HydrophobicContact CG2-CB 4.36Å
346	A	84.3	Confident	87.3	Confident	34 Å²	34	30.3 Å²	30.3	28%	0.281	17%	0.17	S	C	.	.	S	Bend	trans	51.1	8.3	174.9	0	0	0	0	0	118.4	I303 S344 S348 Q349 I350	I303-A346 HydrophobicContact CD1-CB 4.22Å; I303-A346 HydrophobicContact CG2-CB 4.2Å; S344-A346 PolarHBondContact O-N 3.18Å; A346-S348 PolarHBondContact O-N 2.79Å; A346-Q349 HydrophobicContact CB-CB 4.44Å; A346-Q349 WeakPolarHBondContact O-CA 3.32Å; A346-Q349 VanDerWaalsContact O-CB 3.24Å; A346-Q349 WeakPolarHBondContact O-CB 3.35Å; A346-Q349 PolarHBondContact O-N 3.29Å; A346-I350 PolarHBondContact O-N 3.18Å
347	K	87	Confident	86.8	Confident	11 Å²	11	30.9 Å²	30.9	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-52.1	-54.8	-174.9	-75.2	-176.1	-90.7	146.2	0	114.3	L339 G341 D342 V345 Q349 I350 L351 A447 A448 N449 L481	L339-K347 HydrophobicContact CB-CD 4.07Å; L339-K347 HydrophobicContact CB-CG 4.22Å; L339-K347 WeakPolarHBondContact O-CD 3.38Å; G341-K347 PolarHBondContact O-NZ 2.97Å; D342-K347 WeakPolarHBondContact O-CE 3.12Å; D342-K347 PolarHBondContact O-NZ 3.37Å; V345-K347 PolarHBondContact O-N 2.85Å; K347-Q349 PolarHBondContact O-N 2.88Å; K347-I350 WeakPolarHBondContact O-CB 3.23Å; K347-I350 PolarHBondContact O-N 2.74Å; K347-I350 VanDerWaalsContact O-N 3.12Å; K347-L351 PolarHBondContact O-N 3.15Å; K347-L351 VanDerWaalsContact O-N 3.16Å; K347-A447 HydrophobicContact CB-CB 4.31Å; K347-A448 PolarHBondContact NZ-O 2.98Å; K347-N449 PolarHBondContact NZ-OD1 3.22Å; K347-L481 HydrophobicContact CD-CD1 4.22Å; K347-L481 HydrophobicContact CG-CD1 3.8Å
348	S	85.6	Confident	86.1	Confident	37 Å²	37	31 Å²	31	26%	0.259	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-23.4	177.2	-50.3	0	0	0	0	113	A346 R352 D405	A346-S348 PolarHBondContact O-N 2.79Å; S348-R352 WeakPolarHBondContact O-CG 3.28Å; S348-R352 PolarHBondContact O-N 2.95Å; S348-D405 WeakPolarHBondContact CB-OD2 3.3Å; S348-D405 PolarHBondContact OG-OD1 3.12Å; S348-D405 PolarHBondContact OG-OD2 2.9Å
349	Q	86.3	Confident	85.1	Confident	46 Å²	46	32.7 Å²	32.7	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-75.6	-37.8	175.2	-170.7	63.3	8.9	0	0	111.4	I303 A346 K347 L351 R352 Y353	I303-Q349 HydrophobicContact CD1-CB 4.32Å; I303-Q349 HydrophobicContact CD1-CG 4.13Å; I303-Q349 HydrophobicContact CG1-CG 4.49Å; A346-Q349 HydrophobicContact CB-CB 4.44Å; A346-Q349 WeakPolarHBondContact O-CA 3.32Å; A346-Q349 VanDerWaalsContact O-CB 3.24Å; A346-Q349 WeakPolarHBondContact O-CB 3.35Å; A346-Q349 PolarHBondContact O-N 3.29Å; K347-Q349 PolarHBondContact O-N 2.88Å; Q349-L351 VanDerWaalsContact C-N 3.33Å; Q349-L351 PolarHBondContact O-N 3.31Å; Q349-R352 PolarHBondContact O-N 2.7Å; Q349-Y353 HydrophobicContact CG-CD2 4.17Å; Q349-Y353 HydrophobicContact CG-CE2 3.77Å; Q349-Y353 VanDerWaalsContact O-CD2 3.24Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.37Å; Q349-Y353 PolarHBondContact O-N 2.91Å; Q349-Y353 VanDerWaalsContact O-N 3.09Å
350	I	89.7	Confident	84.4	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-45.8	170.4	-67.2	165.8	0	0	0	110.5	I303 I313 L339 A346 K347 R352 Y353 V354	I303-I350 HydrophobicContact CD1-CB 4.48Å; I303-I350 HydrophobicContact CD1-CG1 3.48Å; I303-I350 VanDerWaalsContact CD1-CG1 3.48Å; I313-I350 HydrophobicContact CD1-CG2 3.26Å; L339-I350 HydrophobicContact CD1-CB 4.45Å; L339-I350 HydrophobicContact CD1-CD1 4.35Å; L339-I350 HydrophobicContact CD1-CG2 4.09Å; A346-I350 PolarHBondContact O-N 3.18Å; K347-I350 WeakPolarHBondContact O-CB 3.23Å; K347-I350 PolarHBondContact O-N 2.74Å; K347-I350 VanDerWaalsContact O-N 3.12Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 3.37Å; I350-Y353 PolarHBondContact O-N 3.13Å; I350-V354 WeakPolarHBondContact O-CG2 3.29Å; I350-V354 PolarHBondContact O-N 3.22Å; I350-V354 VanDerWaalsContact O-N 3.08Å
351	L	90.1	Very high	84.1	Confident	7 Å²	7	34 Å²	34	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-55.3	-45.8	175.8	-61.7	-174.8	0	0	0	111.6	K347 Q349 Y353 V354 L355 C403 D405 L445 A447	K347-L351 PolarHBondContact O-N 3.15Å; K347-L351 VanDerWaalsContact O-N 3.16Å; Q349-L351 VanDerWaalsContact C-N 3.33Å; Q349-L351 PolarHBondContact O-N 3.31Å; L351-Y353 PolarHBondContact O-N 2.93Å; L351-V354 PolarHBondContact O-N 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.5Å; L351-L355 PolarHBondContact O-N 2.67Å; L351-C403 HydrophobicContact CB-CB 4.41Å; L351-C403 HydrophobicContact CD2-CB 4.25Å; L351-D405 HydrophobicContact CD1-CB 3.68Å; L351-L445 HydrophobicContact CD2-CB 4.43Å; L351-L445 HydrophobicContact CD2-CD2 3.6Å; L351-L445 HydrophobicContact CD2-CG 3.54Å; L351-A447 HydrophobicContact CD1-CB 3.91Å; L351-A447 HydrophobicContact CG-CB 4.42Å
352	R	86	Confident	84.1	Confident	116 Å²	116	35 Å²	35	44%	0.438	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-38.9	178.2	-68	173.7	-159	121.2	6.7	113.3	S348 Q349 I350 L355 N356 T513	S348-R352 WeakPolarHBondContact O-CG 3.28Å; S348-R352 PolarHBondContact O-N 2.95Å; Q349-R352 PolarHBondContact O-N 2.7Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 3.37Å; R352-L355 PolarHBondContact O-N 3.08Å; R352-N356 PolarHBondContact O-N 2.94Å; R352-T513 HydrophobicContact CB-CG2 4.46Å
353	Y	85.9	Confident	84.1	Confident	36 Å²	36	37.4 Å²	37.4	14%	0.141	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-41.4	174.3	-80	-64.4	0	0	0	112.4	A300 S302 I303 Q349 I350 L351 L355 N356 I357	A300-Y353 HydrophobicContact CB-CD2 4.28Å; A300-Y353 HydrophobicContact CB-CG 4.45Å; S302-Y353 WeakPolarHBondContact OG-CE2 3.31Å; S302-Y353 PolarHBondContact OG-OH 3.27Å; I303-Y353 HydrophobicContact CD1-CD2 4.08Å; I303-Y353 HydrophobicContact CD1-CE2 4.3Å; I303-Y353 HydrophobicContact CG1-CE2 4.36Å; Q349-Y353 HydrophobicContact CG-CD2 4.17Å; Q349-Y353 HydrophobicContact CG-CE2 3.77Å; Q349-Y353 VanDerWaalsContact O-CD2 3.24Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.37Å; Q349-Y353 PolarHBondContact O-N 2.91Å; Q349-Y353 VanDerWaalsContact O-N 3.09Å; I350-Y353 PolarHBondContact O-N 3.13Å; L351-Y353 PolarHBondContact O-N 2.93Å; Y353-L355 VanDerWaalsContact C-N 3.33Å; Y353-L355 PolarHBondContact O-N 3.3Å; Y353-N356 PolarHBondContact O-N 3.41Å; Y353-I357 WeakPolarHBondContact O-CG1 3.17Å; Y353-I357 PolarHBondContact O-N 2.99Å
354	V	88.5	Confident	84.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-38.8	176.6	173.6	0	0	0	0	111.7	I313 L317 I350 L351 N356 I357 A358 V401 L445	I313-V354 HydrophobicContact CG2-CG2 3.38Å; L317-V354 HydrophobicContact CD2-CG1 4.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.29Å; I350-V354 PolarHBondContact O-N 3.22Å; I350-V354 VanDerWaalsContact O-N 3.08Å; L351-V354 PolarHBondContact O-N 3.32Å; V354-N356 VanDerWaalsContact C-N 3.31Å; V354-N356 PolarHBondContact O-N 2.94Å; V354-I357 PolarHBondContact O-N 3.19Å; V354-A358 VanDerWaalsContact O-CB 3.27Å; V354-A358 WeakPolarHBondContact O-CB 3.39Å; V354-A358 PolarHBondContact O-N 3.4Å; V354-V401 HydrophobicContact CG1-CB 4.4Å; V354-V401 HydrophobicContact CG1-CG1 3.91Å; V354-L445 HydrophobicContact CB-CD2 4.02Å; V354-L445 HydrophobicContact CG1-CD2 3.98Å; V354-L445 HydrophobicContact CG2-CD2 3.75Å
355	L	85	Confident	84.4	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-38.8	175.5	-71.1	167.8	0	0	0	112.9	L351 R352 Y353 A361 A363 C403	L351-L355 WeakPolarHBondContact O-CG 3.5Å; L351-L355 PolarHBondContact O-N 2.67Å; R352-L355 PolarHBondContact O-N 3.08Å; Y353-L355 VanDerWaalsContact C-N 3.33Å; Y353-L355 PolarHBondContact O-N 3.3Å; L355-A361 HydrophobicContact CB-CB 4.35Å; L355-A361 HydrophobicContact CD2-CB 3.69Å; L355-A361 WeakPolarHBondContact O-CB 3.47Å; L355-A363 HydrophobicContact CD1-CB 3.62Å; L355-A363 HydrophobicContact CD2-CB 3.84Å; L355-A363 HydrophobicContact CG-CB 4.41Å; L355-C403 HydrophobicContact CD2-CB 3.96Å; L355-C403 HydrophobicContact CG-CB 4.19Å
356	N	80.8	Confident	84.2	Confident	86 Å²	86	31.9 Å²	31.9	46%	0.46	18%	0.179	S	C	.	.	H	α-helix	trans	-82.1	-30.9	-178.3	-64.7	-5	0	0	0	113.2	R352 Y353 V354 R564	R352-N356 PolarHBondContact O-N 2.94Å; Y353-N356 PolarHBondContact O-N 3.41Å; V354-N356 VanDerWaalsContact C-N 3.31Å; V354-N356 PolarHBondContact O-N 2.94Å; N356-R564 PolarHBondContact O-NH2 3.29Å
357	I	82.8	Confident	84.1	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-82.3	-39	-178	-67.2	168.5	0	0	0	111.6	L299 L317 Y353 V354 L563 I567	L299-I357 HydrophobicContact CG-CD1 4.18Å; L299-I357 WeakPolarHBondContact O-CD1 3.38Å; L317-I357 HydrophobicContact CD1-CG2 4.05Å; Y353-I357 WeakPolarHBondContact O-CG1 3.17Å; Y353-I357 PolarHBondContact O-N 2.99Å; V354-I357 PolarHBondContact O-N 3.19Å; I357-L563 HydrophobicContact CD1-CD2 4.15Å; I357-L563 HydrophobicContact CG2-CD2 3.98Å; I357-L563 HydrophobicContact CG2-CG 4.38Å; I357-I567 HydrophobicContact CG2-CD1 3.79Å
358	A	78.4	Confident	83.7	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.025	23%	0.227	C	C	.	.	S	Bend	trans	-75.3	127.3	-176.8	0	0	0	0	0	111.6	L317 V354 R360 A361 V401	L317-A358 HydrophobicContact CD2-CB 3.68Å; V354-A358 VanDerWaalsContact O-CB 3.27Å; V354-A358 WeakPolarHBondContact O-CB 3.39Å; V354-A358 PolarHBondContact O-N 3.4Å; A358-R360 PolarHBondContact O-N 3.11Å; A358-A361 HydrophobicContact CB-CB 4.02Å; A358-V401 HydrophobicContact CB-CG2 4.34Å
359	P	70.4	Confident	83.2	Confident	37 Å²	37	40.4 Å²	40.4	24%	0.24	22%	0.219	C	C	.	.	S	Bend	trans	-70.9	-3.6	-177.5	29.8	-37.2	0	0	0	114.5	R231	R231-P359 PolarHBondContact NH1-O 2.78Å
360	R	76.9	Confident	82.9	Confident	27 Å²	27	42 Å²	42	10%	0.102	23%	0.232	C	C	.	.	S	Bend	trans	-146.3	88.6	172.8	-70.8	-172	67.7	144.1	1.9	107.3	G229 A358 L396 D398 G400 V401	G229-R360 PolarHBondContact O-NH2 3.05Å; A358-R360 PolarHBondContact O-N 3.11Å; R360-L396 PolarHBondContact NH2-O 3.08Å; R360-L396 VanDerWaalsContact NH2-O 3.12Å; R360-D398 PolarHBondContact NE-O 2.99Å; R360-D398 PolarHBondContact NH2-O 2.94Å; R360-G400 CarbonylContact O-C 3.55Å; R360-G400 WeakPolarHBondContact O-CA 3.4Å; R360-V401 PolarHBondContact O-N 3.33Å
361	A	83.2	Confident	82.3	Confident	5 Å²	5	42 Å²	42	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.8	179.7	0	0	0	0	0	110.7	L355 A358 V401	L355-A361 HydrophobicContact CB-CB 4.35Å; L355-A361 HydrophobicContact CD2-CB 3.69Å; L355-A361 WeakPolarHBondContact O-CB 3.47Å; A358-A361 HydrophobicContact CB-CB 4.02Å; A361-V401 WeakPolarHBondContact CA-O 3.14Å
362	V	85.6	Confident	81.7	Confident	19 Å²	19	44.8 Å²	44.8	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.4	175.4	-175.5	0	0	0	0	108.9	A393 L396 V401 C403	V362-A393 HydrophobicContact CG1-CB 3.89Å; V362-L396 HydrophobicContact CG2-CB 4.16Å; V362-V401 PolarHBondContact N-O 3.38Å; V362-C403 PolarHBondContact O-N 2.94Å
363	A	86.8	Confident	81.4	Confident	66 Å²	66	41 Å²	41	55%	0.545	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.5	178.1	0	0	0	0	0	110.6	L355	L355-A363 HydrophobicContact CD1-CB 3.62Å; L355-A363 HydrophobicContact CD2-CB 3.84Å; L355-A363 HydrophobicContact CG-CB 4.41Å
364	T	86.8	Confident	81.3	Confident	15 Å²	15	39.3 Å²	39.3	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.4	176.5	47.2	0	0	0	0	110.7	S369 L374 A393 C403 I404 D405	T364-S369 WeakPolarHBondContact CB-OG 3.22Å; T364-L374 HydrophobicContact CG2-CD2 4.15Å; T364-A393 HydrophobicContact CG2-CB 3.46Å; T364-A393 VanDerWaalsContact CG2-CB 3.46Å; T364-C403 PolarHBondContact N-O 3.45Å; T364-C403 PolarHBondContact OG1-O 3.41Å; T364-I404 WeakPolarHBondContact O-CA 3.15Å; T364-D405 PolarHBondContact O-N 2.75Å
365	T	88.2	Confident	81	Confident	68 Å²	68	40.2 Å²	40.2	42%	0.417	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.6	174.4	63.6	0	0	0	0	110.1	R367 G368 S369 D405	T365-R367 PolarHBondContact O-N 3.08Å; T365-R367 VanDerWaalsContact O-N 3.16Å; T365-G368 PolarHBondContact O-N 2.91Å; T365-G368 VanDerWaalsContact O-N 3.1Å; T365-G368 PolarHBondContact OG1-N 2.79Å; T365-S369 PolarHBondContact N-OG 2.87Å; T365-S369 VanDerWaalsContact O-CB 3.26Å; T365-S369 WeakPolarHBondContact O-CB 3.41Å; T365-S369 PolarHBondContact O-N 3.26Å; T365-S369 PolarHBondContact O-OG 3.26Å; T365-D405 CarbonylContact C-O 3.6Å; T365-D405 WeakPolarHBondContact CA-O 3.29Å
366	G	80.1	Confident	81	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.4	-175.2	0	0	0	0	0	114	D405 M410	G366-D405 PolarHBondContact N-O 2.73Å; G366-M410 WeakPolarHBondContact O-CA 3.17Å
367	R	82.8	Confident	81.2	Confident	185 Å²	185	35.3 Å²	35.3	70%	0.698	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-32.8	174.5	-69.6	-179.2	167.5	-176.8	-1.1	114.6	T365 K409	T365-R367 PolarHBondContact O-N 3.08Å; T365-R367 VanDerWaalsContact O-N 3.16Å; R367-K409 HydrophobicContact CG-CB 3.76Å
368	G	77.3	Confident	81.4	Confident	61 Å²	61	36.3 Å²	36.3	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-11.6	-177.7	0	0	0	0	0	114	T365	T365-G368 PolarHBondContact O-N 2.91Å; T365-G368 VanDerWaalsContact O-N 3.1Å; T365-G368 PolarHBondContact OG1-N 2.79Å
369	S	75.4	Confident	81.8	Confident	14 Å²	14	38 Å²	38	10%	0.098	24%	0.24	C	C	.	.			trans	-114.2	93.4	-168.4	-43.4	0	0	0	0	111.1	T364 T365	T364-S369 WeakPolarHBondContact CB-OG 3.22Å; T365-S369 PolarHBondContact N-OG 2.87Å; T365-S369 VanDerWaalsContact O-CB 3.26Å; T365-S369 WeakPolarHBondContact O-CB 3.41Å; T365-S369 PolarHBondContact O-N 3.26Å; T365-S369 PolarHBondContact O-OG 3.26Å
370	T	80.8	Confident	82.5	Confident	80 Å²	80	39.7 Å²	39.7	49%	0.491	25%	0.25	S	S	.	.			trans	-67.5	155.6	169	64.2	0	0	0	0	110.2	V372 G373 L374	T370-V372 PolarHBondContact O-N 3.49Å; T370-V372 VanDerWaalsContact O-N 3.11Å; T370-G373 CarbonylContact O-C 3.55Å; T370-G373 WeakPolarHBondContact O-CA 3.41Å; T370-G373 PolarHBondContact O-N 2.78Å; T370-G373 PolarHBondContact OG1-N 2.81Å; T370-L374 PolarHBondContact O-N 3.14Å
371	G	77.1	Confident	82.6	Confident	7 Å²	7	39.9 Å²	39.9	7%	0.072	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-27.2	-179.7	0	0	0	0	0	112.8	T375 D414	G371-T375 WeakPolarHBondContact O-CB 3.22Å; G371-T375 PolarHBondContact O-N 3.44Å; G371-T375 PolarHBondContact O-OG1 3.28Å; G371-D414 VanDerWaalsContact N-CG 3.34Å; G371-D414 PolarHBondContact N-OD1 3.12Å
372	V	77	Confident	82.3	Confident	64 Å²	64	48.4 Å²	48.4	39%	0.388	29%	0.292	S	S	.	.	H	α-helix	trans	-70.5	-43	171.7	180	0	0	0	0	111.4	T370 L374 A376 A377	T370-V372 PolarHBondContact O-N 3.49Å; T370-V372 VanDerWaalsContact O-N 3.11Å; V372-L374 VanDerWaalsContact C-N 3.32Å; V372-A376 CarbonylContact O-C 3.57Å; V372-A376 PolarHBondContact O-N 3.06Å; V372-A377 HydrophobicContact CG1-CB 3.43Å; V372-A377 VanDerWaalsContact CG1-CB 3.43Å
373	G	80.1	Confident	81.6	Confident	37 Å²	37	53 Å²	53	38%	0.381	31%	0.312	S	S	.	.	H	α-helix	trans	-72.4	-20.1	174.2	0	0	0	0	0	114.3	T370 G392 A393	T370-G373 CarbonylContact O-C 3.55Å; T370-G373 WeakPolarHBondContact O-CA 3.41Å; T370-G373 PolarHBondContact O-N 2.78Å; T370-G373 PolarHBondContact OG1-N 2.81Å; G373-G392 CarbonylContact O-C 3.55Å; G373-G392 WeakPolarHBondContact O-CA 3.48Å; G373-A393 PolarHBondContact O-N 3.21Å
374	L	82.7	Confident	80.9	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-81.5	-43.7	172.6	-71.2	170.6	0	0	0	112.3	T364 T370 V372 G392 A393 M394 M410 V418	T364-L374 HydrophobicContact CG2-CD2 4.15Å; T370-L374 PolarHBondContact O-N 3.14Å; V372-L374 VanDerWaalsContact C-N 3.32Å; L374-G392 CarbonylContact O-C 3.59Å; L374-A393 PolarHBondContact O-N 3.48Å; L374-M394 HydrophobicContact CB-CG 4.48Å; L374-M394 HydrophobicContact CB-SD 4.48Å; L374-M394 VanDerWaalsContact O-CB 3.27Å; L374-M394 WeakPolarHBondContact O-CB 3.12Å; L374-M394 WeakPolarHBondContact O-CG 3.38Å; L374-M394 PolarHBondContact O-N 3.37Å; L374-M410 HydrophobicContact CD1-SD 4.12Å; L374-V418 HydrophobicContact CD1-CG2 3.69Å
375	T	83.4	Confident	80.5	Confident	19 Å²	19	54.1 Å²	54.1	12%	0.117	33%	0.325	C	S	.	.	S	Bend	trans	-90.9	-89.7	-175.7	56.1	0	0	0	0	112	G371 G392 V395 A417 V421 T427	G371-T375 WeakPolarHBondContact O-CB 3.22Å; G371-T375 PolarHBondContact O-N 3.44Å; G371-T375 PolarHBondContact O-OG1 3.28Å; T375-G392 WeakPolarHBondContact O-CA 3.48Å; T375-G392 PolarHBondContact O-N 3.2Å; T375-V395 VanDerWaalsContact O-CG2 3.27Å; T375-V395 WeakPolarHBondContact O-CG2 3.37Å; T375-A417 HydrophobicContact CG2-CB 3.88Å; T375-V421 HydrophobicContact CG2-CG2 3.84Å; T375-T427 HydrophobicContact CG2-CG2 4.31Å
376	A	84.1	Confident	80.1	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	160.1	167	0	0	0	0	0	110.6	V372 E390 I429 L438	V372-A376 CarbonylContact O-C 3.57Å; V372-A376 PolarHBondContact O-N 3.06Å; A376-E390 CarbonylContact C-O 3.45Å; A376-E390 VanDerWaalsContact CA-O 3.23Å; A376-E390 WeakPolarHBondContact CA-O 3.3Å; A376-E390 WeakPolarHBondContact CB-O 3.27Å; A376-I429 HydrophobicContact CB-CD1 3.3Å; A376-I429 WeakPolarHBondContact O-CD1 3.39Å; A376-L438 HydrophobicContact CB-CD1 3.6Å
377	A	86	Confident	80.2	Confident	16 Å²	16	59 Å²	59	13%	0.132	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.5	-179.1	0	0	0	0	0	111.4	V372 T379 E390	V372-A377 HydrophobicContact CG1-CB 3.43Å; V372-A377 VanDerWaalsContact CG1-CB 3.43Å; A377-T379 HydrophobicContact CB-CG2 4.4Å; A377-E390 HydrophobicContact CB-CB 4.28Å; A377-E390 PolarHBondContact N-O 2.76Å; A377-E390 PolarHBondContact O-N 2.96Å
378	V	87	Confident	80.2	Confident	35 Å²	35	51.2 Å²	51.2	21%	0.212	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.6	158.3	178	0	0	0	0	106.6	R387 Q388 L389 I429 K431 A432 I434	V378-R387 HydrophobicContact CG1-CB 4.04Å; V378-R387 HydrophobicContact CG1-CG 4.48Å; V378-Q388 WeakPolarHBondContact CA-O 3.5Å; V378-L389 HydrophobicContact CG2-CD1 4.17Å; V378-I429 HydrophobicContact CG2-CG2 4.05Å; V378-K431 HydrophobicContact CG2-CB 4.11Å; V378-A432 HydrophobicContact CG1-CB 4.16Å; V378-I434 HydrophobicContact CG1-CD1 3.78Å; V378-I434 HydrophobicContact CG1-CG1 4.39Å; V378-I434 HydrophobicContact CG2-CB 4.21Å; V378-I434 HydrophobicContact CG2-CD1 4.18Å
379	T	86.5	Confident	80.6	Confident	37 Å²	37	49.2 Å²	49.2	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	161.3	173.5	51.5	0	0	0	0	110.1	A377 R387 Q388 E390	A377-T379 HydrophobicContact CB-CG2 4.4Å; T379-R387 CarbonylContact O-C 3.59Å; T379-R387 WeakPolarHBondContact O-CA 3.2Å; T379-Q388 PolarHBondContact N-O 3.18Å; T379-Q388 PolarHBondContact O-N 3.22Å; T379-E390 WeakPolarHBondContact CG2-OE2 3.4Å
380	T	84.2	Confident	81.2	Confident	74 Å²	74	51.3 Å²	51.3	45%	0.454	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.7	169.1	47.4	0	0	0	0	108.5	H382 E386 R387	T380-H382 PolarHBondContact O-N 2.78Å; T380-E386 CarbonylContact C-O 3.32Å; T380-E386 WeakPolarHBondContact CA-O 3.1Å; T380-R387 HydrophobicContact CG2-CG 3.95Å
381	D	79.5	Confident	81.4	Confident	30 Å²	30	48.1 Å²	48.1	16%	0.16	27%	0.273	C	S	.	.			trans	-63.4	133.6	168.7	-166.3	-18.5	0	0	0	109.1	E383 G385 E386 Q388	D381-E383 VanDerWaalsContact C-N 3.3Å; D381-E383 PolarHBondContact OD1-N 3.31Å; D381-E383 VanDerWaalsContact OD1-N 3.13Å; D381-G385 WeakPolarHBondContact O-CA 3.48Å; D381-G385 PolarHBondContact O-N 3.07Å; D381-E386 PolarHBondContact N-O 3.46Å; D381-Q388 PolarHBondContact OD2-NE2 3.35Å; D381-Q388 VanDerWaalsContact OD2-NE2 3.15Å
382	H	77.1	Confident	81.8	Confident	185 Å²	185	48 Å²	48	86%	0.856	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.9	-178.5	-67.9	-65.8	0	0	0	112.7	T380	T380-H382 PolarHBondContact O-N 2.78Å
383	E	71.8	Confident	82.3	Confident	114 Å²	114	45.4 Å²	45.4	53%	0.533	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.3	-178.6	-68	-167.6	177.3	0	0	113.7	R254 D381	R254-E383 IonicContact CZ-OE2 2.67Å; R254-E383 IonicContact NH1-OE1 2.87Å; R254-E383 IonicContact NH1-OE2 2.85Å; R254-E383 PolarHBondContact NH1-OE2 2.76Å; R254-E383 IonicContact NH2-OE2 3.61Å; D381-E383 VanDerWaalsContact C-N 3.3Å; D381-E383 PolarHBondContact OD1-N 3.31Å; D381-E383 VanDerWaalsContact OD1-N 3.13Å
384	S	71.3	Confident	82.6	Confident	50 Å²	50	43.7 Å²	43.7	35%	0.35	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.8	179.7	62	0	0	0	0	113.9	E386	S384-E386 WeakPolarHBondContact CB-OE2 3.2Å; S384-E386 PolarHBondContact O-N 3.08Å; S384-E386 VanDerWaalsContact OG-CB 3.3Å; S384-E386 WeakPolarHBondContact OG-CB 3.32Å; S384-E386 VanDerWaalsContact OG-CG 3.25Å; S384-E386 WeakPolarHBondContact OG-CG 3.37Å; S384-E386 PolarHBondContact OG-N 2.7Å; S384-E386 PolarHBondContact OG-OE2 3.23Å
385	G	77.3	Confident	82.9	Confident	55 Å²	55	43.9 Å²	43.9	57%	0.567	24%	0.241	S	C	*	.			trans	71.1	3.4	-169.9	0	0	0	0	0	113.9	D381	D381-G385 WeakPolarHBondContact O-CA 3.48Å; D381-G385 PolarHBondContact O-N 3.07Å
386	E	79.9	Confident	82.9	Confident	49 Å²	49	44.9 Å²	44.9	23%	0.229	25%	0.245	C	C	.	.			trans	-73.8	145.3	-175.7	-66.7	160.8	160.9	0	0	111.4	Y135 T380 D381 S384	Y135-E386 VanDerWaalsContact CZ-CD 3.47Å; Y135-E386 VanDerWaalsContact CZ-OE1 3.22Å; Y135-E386 VanDerWaalsContact OH-CG 3.27Å; Y135-E386 WeakPolarHBondContact OH-CG 3.29Å; Y135-E386 PolarHBondContact OH-OE1 3.39Å; T380-E386 CarbonylContact C-O 3.32Å; T380-E386 WeakPolarHBondContact CA-O 3.1Å; D381-E386 PolarHBondContact N-O 3.46Å; S384-E386 WeakPolarHBondContact CB-OE2 3.2Å; S384-E386 PolarHBondContact O-N 3.08Å; S384-E386 VanDerWaalsContact OG-CB 3.3Å; S384-E386 WeakPolarHBondContact OG-CB 3.32Å; S384-E386 VanDerWaalsContact OG-CG 3.25Å; S384-E386 WeakPolarHBondContact OG-CG 3.37Å; S384-E386 PolarHBondContact OG-N 2.7Å; S384-E386 PolarHBondContact OG-OE2 3.23Å
387	R	82.9	Confident	82.8	Confident	124 Å²	124	44.8 Å²	44.8	47%	0.468	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.5	177.9	-65	176	-176.1	156.4	7.2	109.5	V378 T379 T380 A432 I434	V378-R387 HydrophobicContact CG1-CB 4.04Å; V378-R387 HydrophobicContact CG1-CG 4.48Å; T379-R387 CarbonylContact O-C 3.59Å; T379-R387 WeakPolarHBondContact O-CA 3.2Å; T380-R387 HydrophobicContact CG2-CG 3.95Å; R387-A432 WeakPolarHBondContact CD-O 3.5Å; R387-A432 PolarHBondContact NH1-O 3.39Å; R387-I434 HydrophobicContact CB-CD1 3.89Å; R387-I434 HydrophobicContact CB-CG1 4.43Å
388	Q	83.5	Confident	82.7	Confident	23 Å²	23	45 Å²	45	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.4	178	-61.7	-176.4	-0.6	0	0	110.3	V378 T379 D381	V378-Q388 WeakPolarHBondContact CA-O 3.5Å; T379-Q388 PolarHBondContact N-O 3.18Å; T379-Q388 PolarHBondContact O-N 3.22Å; D381-Q388 PolarHBondContact OD2-NE2 3.35Å; D381-Q388 VanDerWaalsContact OD2-NE2 3.15Å
389	L	85.7	Confident	82.5	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128	174.8	-169.3	68.2	0	0	0	109.5	K130 S131 V378 I429 A436 L438	K130-L389 WeakPolarHBondContact CA-O 3.45Å; S131-L389 PolarHBondContact N-O 3.33Å; S131-L389 PolarHBondContact O-N 2.83Å; V378-L389 HydrophobicContact CG2-CD1 4.17Å; L389-I429 HydrophobicContact CD1-CD1 4.49Å; L389-A436 HydrophobicContact CD2-CB 3.98Å; L389-L438 HydrophobicContact CD2-CD1 4.12Å; L389-L438 HydrophobicContact CD2-CD2 3.93Å; L389-L438 HydrophobicContact CD2-CG 4.34Å
390	E	86.5	Confident	82.5	Confident	59 Å²	59	48.7 Å²	48.7	28%	0.276	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.7	-179.3	176	164.2	-156.3	0	0	110.3	T129 K130 A376 A377 T379	T129-E390 WeakPolarHBondContact O-CA 3.13Å; K130-E390 HydrophobicContact CD-CB 4.44Å; K130-E390 WeakPolarHBondContact CE-OE1 3.27Å; K130-E390 WeakPolarHBondContact CE-OE2 2.94Å; K130-E390 HydrophobicContact CG-CB 4.11Å; K130-E390 HydrophobicContact CG-CG 4.13Å; K130-E390 IonicContact NZ-OE1 2.78Å; K130-E390 PolarHBondContact NZ-OE1 3.03Å; K130-E390 IonicContact NZ-OE2 3.18Å; K130-E390 PolarHBondContact NZ-OE2 2.9Å; A376-E390 CarbonylContact C-O 3.45Å; A376-E390 VanDerWaalsContact CA-O 3.23Å; A376-E390 WeakPolarHBondContact CA-O 3.3Å; A376-E390 WeakPolarHBondContact CB-O 3.27Å; A377-E390 HydrophobicContact CB-CB 4.28Å; A377-E390 PolarHBondContact N-O 2.76Å; A377-E390 PolarHBondContact O-N 2.96Å; T379-E390 WeakPolarHBondContact CG2-OE2 3.4Å
391	A	85.5	Confident	82.8	Confident	12 Å²	12	45.2 Å²	45.2	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.7	-177.3	0	0	0	0	0	112.5	T129 P228 V395 L396	T129-A391 PolarHBondContact O-N 2.68Å; P228-A391 HydrophobicContact CB-CB 3.62Å; A391-V395 HydrophobicContact CB-CB 4.13Å; A391-V395 HydrophobicContact CB-CG1 3.95Å; A391-L396 HydrophobicContact CB-CD2 3.62Å; A391-L396 HydrophobicContact CB-CG 4.47Å
392	G	86.9	Confident	83.4	Confident	4 Å²	4	43.8 Å²	43.8	4%	0.041	22%	0.221	C	C	.	.			trans	-84.9	168.4	169.8	0	0	0	0	0	112.7	G373 L374 T375 M394 V395 L396	G373-G392 CarbonylContact O-C 3.55Å; G373-G392 WeakPolarHBondContact O-CA 3.48Å; L374-G392 CarbonylContact O-C 3.59Å; T375-G392 WeakPolarHBondContact O-CA 3.48Å; T375-G392 PolarHBondContact O-N 3.2Å; G392-M394 VanDerWaalsContact C-N 3.25Å; G392-M394 PolarHBondContact O-N 3.44Å; G392-M394 VanDerWaalsContact O-N 3.08Å; G392-V395 WeakPolarHBondContact O-CB 3.48Å; G392-V395 PolarHBondContact O-N 3.37Å; G392-L396 WeakPolarHBondContact O-CG 3.29Å; G392-L396 PolarHBondContact O-N 3.34Å; G392-L396 VanDerWaalsContact O-N 3.11Å
393	A	85.6	Confident	84.1	Confident	11 Å²	11	35.1 Å²	35.1	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-52.7	-34.8	-170.5	0	0	0	0	0	114.9	V362 T364 G373 L374 G397	V362-A393 HydrophobicContact CG1-CB 3.89Å; T364-A393 HydrophobicContact CG2-CB 3.46Å; T364-A393 VanDerWaalsContact CG2-CB 3.46Å; G373-A393 PolarHBondContact O-N 3.21Å; L374-A393 PolarHBondContact O-N 3.48Å; A393-G397 PolarHBondContact O-N 3.12Å; A393-G397 VanDerWaalsContact O-N 3.09Å
394	M	87.6	Confident	85.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-73.1	-29.9	178.7	-59.2	-174.3	80	0	0	112.9	L374 G392 G397 V418 V421 A440 V444	L374-M394 HydrophobicContact CB-CG 4.48Å; L374-M394 HydrophobicContact CB-SD 4.48Å; L374-M394 VanDerWaalsContact O-CB 3.27Å; L374-M394 WeakPolarHBondContact O-CB 3.12Å; L374-M394 WeakPolarHBondContact O-CG 3.38Å; L374-M394 PolarHBondContact O-N 3.37Å; G392-M394 VanDerWaalsContact C-N 3.25Å; G392-M394 PolarHBondContact O-N 3.44Å; G392-M394 VanDerWaalsContact O-N 3.08Å; M394-G397 PolarHBondContact O-N 2.92Å; M394-V418 HydrophobicContact CE-CG1 4.3Å; M394-V418 HydrophobicContact SD-CG1 4.46Å; M394-V418 HydrophobicContact SD-CG2 4.21Å; M394-V421 HydrophobicContact CB-CG1 4.27Å; M394-V421 HydrophobicContact CE-CB 3.65Å; M394-V421 HydrophobicContact CE-CG1 3.66Å; M394-V421 HydrophobicContact CE-CG2 4.21Å; M394-V421 HydrophobicContact SD-CB 3.93Å; M394-V421 HydrophobicContact SD-CG1 4.08Å; M394-V421 HydrophobicContact SD-CG2 3.79Å; M394-A440 HydrophobicContact CB-CB 4.47Å; M394-V444 HydrophobicContact CE-CG2 3.95Å
395	V	87.6	Confident	86	Confident	6 Å²	6	29 Å²	29	4%	0.036	15%	0.148	C	C	.	.	H	α-helix	trans	-75.7	-42.4	174.6	177.8	0	0	0	0	110.4	P228 T375 A391 G392 G397 D398 T427 L438 A440	P228-V395 WeakPolarHBondContact O-CG1 3.24Å; T375-V395 VanDerWaalsContact O-CG2 3.27Å; T375-V395 WeakPolarHBondContact O-CG2 3.37Å; A391-V395 HydrophobicContact CB-CB 4.13Å; A391-V395 HydrophobicContact CB-CG1 3.95Å; G392-V395 WeakPolarHBondContact O-CB 3.48Å; G392-V395 PolarHBondContact O-N 3.37Å; V395-G397 PolarHBondContact O-N 3.33Å; V395-D398 PolarHBondContact O-N 3.13Å; V395-D398 VanDerWaalsContact O-N 3.11Å; V395-T427 HydrophobicContact CG2-CG2 4.5Å; V395-L438 HydrophobicContact CG1-CB 4.29Å; V395-L438 HydrophobicContact CG1-CD1 4.25Å; V395-L438 HydrophobicContact CG2-CB 4.03Å; V395-L438 HydrophobicContact CG2-CD1 3.99Å; V395-A440 HydrophobicContact CG2-CB 4.2Å
396	L	84.6	Confident	86.6	Confident	39 Å²	39	29.9 Å²	29.9	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-55.3	-34.9	170.9	-52.3	-175.5	0	0	0	111.2	I127 R360 V362 A391 G392 D398	I127-L396 HydrophobicContact CG2-CD2 3.98Å; R360-L396 PolarHBondContact NH2-O 3.08Å; R360-L396 VanDerWaalsContact NH2-O 3.12Å; V362-L396 HydrophobicContact CG2-CB 4.16Å; A391-L396 HydrophobicContact CB-CD2 3.62Å; A391-L396 HydrophobicContact CB-CG 4.47Å; G392-L396 WeakPolarHBondContact O-CG 3.29Å; G392-L396 PolarHBondContact O-N 3.34Å; G392-L396 VanDerWaalsContact O-N 3.11Å; L396-D398 PolarHBondContact O-N 3Å
397	G	81.2	Confident	87	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	10.1	177.7	0	0	0	0	0	117.3	A393 M394 V395 R399 G400 C442	A393-G397 PolarHBondContact O-N 3.12Å; A393-G397 VanDerWaalsContact O-N 3.09Å; M394-G397 PolarHBondContact O-N 2.92Å; V395-G397 PolarHBondContact O-N 3.33Å; G397-R399 PolarHBondContact O-N 3.11Å; G397-G400 VanDerWaalsContact O-CA 3.3Å; G397-G400 WeakPolarHBondContact O-CA 3.45Å; G397-G400 PolarHBondContact O-N 2.89Å; G397-C442 WeakPolarHBondContact O-CB 3.4Å
398	D	85	Confident	87.2	Confident	19 Å²	19	22.7 Å²	22.7	10%	0.102	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	132	-179.7	-175.5	56.9	0	0	0	112.6	R360 V395 L396 G400 R441	R360-D398 PolarHBondContact NE-O 2.99Å; R360-D398 PolarHBondContact NH2-O 2.94Å; V395-D398 PolarHBondContact O-N 3.13Å; V395-D398 VanDerWaalsContact O-N 3.11Å; L396-D398 PolarHBondContact O-N 3Å; D398-G400 PolarHBondContact O-N 3.28Å; D398-G400 VanDerWaalsContact O-N 3.11Å; D398-R441 WeakPolarHBondContact OD1-CA 3.35Å; D398-R441 WeakPolarHBondContact OD1-CB 3.34Å; D398-R441 VanDerWaalsContact OD1-CG 3.22Å; D398-R441 WeakPolarHBondContact OD1-CG 3.3Å; D398-R441 IonicContact OD1-CZ 2.61Å; D398-R441 PolarHBondContact OD1-N 3.38Å; D398-R441 IonicContact OD1-NE 2.72Å; D398-R441 PolarHBondContact OD1-NE 2.93Å; D398-R441 IonicContact OD1-NH2 2.7Å; D398-R441 IonicContact OD2-CZ 3.58Å; D398-R441 IonicContact OD2-NE 3.64Å; D398-R441 PolarHBondContact OD2-NE 3.08Å; D398-R441 IonicContact OD2-NH2 3.11Å; D398-R441 PolarHBondContact OD2-NH2 2.74Å
399	R	82.6	Confident	87.2	Confident	148 Å²	148	26 Å²	26	56%	0.558	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	8.5	-171.3	-60.7	175.7	164.3	177.3	-2.9	115.7	G397 R441 K571	G397-R399 PolarHBondContact O-N 3.11Å; R399-R441 WeakPolarHBondContact CA-O 3.37Å; R399-R441 PolarHBondContact N-O 2.89Å; R399-K571 PolarHBondContact O-NZ 3.05Å
400	G	86.9	Confident	87.2	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	-106.7	-160.3	179.8	0	0	0	0	0	113.5	R360 G397 D398 S443	R360-G400 CarbonylContact O-C 3.55Å; R360-G400 WeakPolarHBondContact O-CA 3.4Å; G397-G400 VanDerWaalsContact O-CA 3.3Å; G397-G400 WeakPolarHBondContact O-CA 3.45Å; G397-G400 PolarHBondContact O-N 2.89Å; D398-G400 PolarHBondContact O-N 3.28Å; D398-G400 VanDerWaalsContact O-N 3.11Å; G400-S443 PolarHBondContact O-N 3.44Å; G400-S443 VanDerWaalsContact O-N 3.07Å
401	V	90.4	Very high	87.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.7	173.7	-175.4	0	0	0	0	109.4	L316 L317 V354 A358 R360 A361 V362 S443 L445	L316-V401 HydrophobicContact CD2-CG1 4.04Å; L317-V401 HydrophobicContact CD2-CG2 4.2Å; V354-V401 HydrophobicContact CG1-CB 4.4Å; V354-V401 HydrophobicContact CG1-CG1 3.91Å; A358-V401 HydrophobicContact CB-CG2 4.34Å; R360-V401 PolarHBondContact O-N 3.33Å; A361-V401 WeakPolarHBondContact CA-O 3.14Å; V362-V401 PolarHBondContact N-O 3.38Å; V401-S443 CarbonylContact C-O 3.59Å; V401-S443 VanDerWaalsContact CA-O 3.31Å; V401-S443 WeakPolarHBondContact CA-O 3.44Å; V401-L445 HydrophobicContact CG1-CB 4.16Å
402	V	91.6	Very high	87.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.8	171.9	177.3	0	0	0	0	107.9	I404 C442 S443 L445	V402-I404 HydrophobicContact CG1-CG1 4.04Å; V402-C442 HydrophobicContact CG2-CB 3.74Å; V402-S443 PolarHBondContact N-O 3.26Å; V402-L445 PolarHBondContact O-N 2.94Å
403	C	92	Very high	87	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.6	178.6	-63.4	0	0	0	0	109.3	L351 L355 V362 T364 L445	L351-C403 HydrophobicContact CB-CB 4.41Å; L351-C403 HydrophobicContact CD2-CB 4.25Å; L355-C403 HydrophobicContact CD2-CB 3.96Å; L355-C403 HydrophobicContact CG-CB 4.19Å; V362-C403 PolarHBondContact O-N 2.94Å; T364-C403 PolarHBondContact N-O 3.45Å; T364-C403 PolarHBondContact OG1-O 3.41Å; C403-L445 CarbonylContact C-O 3.52Å; C403-L445 VanDerWaalsContact CA-O 3.31Å; C403-L445 WeakPolarHBondContact CA-O 3.21Å
404	I	91.5	Very high	87	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.7	179.1	-40.4	178.8	0	0	0	109.1	T364 V402 F407 V444 L445 A446 A447	T364-I404 WeakPolarHBondContact O-CA 3.15Å; V402-I404 HydrophobicContact CG1-CG1 4.04Å; I404-F407 HydrophobicContact CB-CD2 4.23Å; I404-F407 HydrophobicContact CD1-CD2 4.01Å; I404-F407 HydrophobicContact CD1-CE2 3.98Å; I404-F407 HydrophobicContact CG2-CD2 4Å; I404-V444 HydrophobicContact CD1-CG1 3.84Å; I404-V444 HydrophobicContact CG1-CG1 4.29Å; I404-L445 PolarHBondContact N-O 3.32Å; I404-A446 CarbonylContact O-C 3.35Å; I404-A446 WeakPolarHBondContact O-CA 3.47Å; I404-A447 PolarHBondContact O-N 2.99Å
405	D	91	Very high	86.8	Confident	34 Å²	34	37.9 Å²	37.9	18%	0.182	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	156.1	170.1	-150	-12.6	0	0	0	111.2	S348 L351 T364 T365 G366 F407	S348-D405 WeakPolarHBondContact CB-OD2 3.3Å; S348-D405 PolarHBondContact OG-OD1 3.12Å; S348-D405 PolarHBondContact OG-OD2 2.9Å; L351-D405 HydrophobicContact CD1-CB 3.68Å; T364-D405 PolarHBondContact O-N 2.75Å; T365-D405 CarbonylContact C-O 3.6Å; T365-D405 WeakPolarHBondContact CA-O 3.29Å; G366-D405 PolarHBondContact N-O 2.73Å; D405-F407 VanDerWaalsContact C-N 3.33Å; D405-F407 PolarHBondContact O-N 3.18Å
406	E	89.1	Confident	86.6	Confident	73 Å²	73	41.8 Å²	41.8	34%	0.341	21%	0.209	S	C	.	.	S	Bend	trans	50.7	43.6	-176.5	-55.7	-168.4	152.5	0	0	114.5	D408 K409 A447	E406-D408 PolarHBondContact O-N 3.25Å; E406-D408 VanDerWaalsContact O-N 3.15Å; E406-K409 HydrophobicContact CB-CB 4.29Å; E406-K409 HydrophobicContact CB-CG 4.08Å; E406-K409 WeakPolarHBondContact O-CB 3.33Å; E406-K409 PolarHBondContact O-N 2.98Å; E406-A447 PolarHBondContact N-O 2.82Å
407	F	88.7	Confident	86.6	Confident	3 Å²	3	41 Å²	41	1%	0.013	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.1	-29.5	-175.9	-172	-103.3	0	0	0	113.5	L338 I404 D405 K409 M410 A446 A447 A448 M467 L471 F475	L338-F407 HydrophobicContact CD1-CD1 4.24Å; I404-F407 HydrophobicContact CB-CD2 4.23Å; I404-F407 HydrophobicContact CD1-CD2 4.01Å; I404-F407 HydrophobicContact CD1-CE2 3.98Å; I404-F407 HydrophobicContact CG2-CD2 4Å; D405-F407 VanDerWaalsContact C-N 3.33Å; D405-F407 PolarHBondContact O-N 3.18Å; F407-K409 VanDerWaalsContact C-N 3.26Å; F407-K409 PolarHBondContact O-N 3.18Å; F407-M410 HydrophobicContact CD2-CE 3.42Å; F407-M410 VanDerWaalsContact CD2-CE 3.42Å; F407-M410 HydrophobicContact CE2-CE 3.25Å; F407-M410 HydrophobicContact CG-CE 4.29Å; F407-M410 HydrophobicContact CZ-CE 4.01Å; F407-M410 WeakPolarHBondContact O-CB 3.31Å; F407-M410 PolarHBondContact O-N 3.46Å; F407-A446 HydrophobicContact CB-CB 4.12Å; F407-A446 HydrophobicContact CD1-CB 4.42Å; F407-A446 HydrophobicContact CD2-CB 3.89Å; F407-A446 HydrophobicContact CE2-CB 4.38Å; F407-A446 HydrophobicContact CG-CB 3.91Å; F407-A447 VanDerWaalsContact CB-O 3.26Å; F407-A447 WeakPolarHBondContact CB-O 3.36Å; F407-A447 PolarHBondContact N-O 2.86Å; F407-A448 HydrophobicContact CB-CB 4.4Å; F407-M467 HydrophobicContact CD1-CE 3.85Å; F407-M467 HydrophobicContact CE1-CE 3.57Å; F407-L471 HydrophobicContact CE1-CD2 3.79Å; F407-L471 HydrophobicContact CE1-CG 4.35Å; F407-L471 HydrophobicContact CZ-CD1 4.2Å; F407-L471 HydrophobicContact CZ-CD2 3.9Å; F407-L471 HydrophobicContact CZ-CG 4.41Å; F407-F475 AromaticContact CE1-CE2 3.89Å; F407-F475 HydrophobicContact CE1-CE2 3.89Å; F407-F475 AromaticContact CE1-CZ 3.96Å; F407-F475 HydrophobicContact CE1-CZ 3.96Å; F407-F475 HydrophobicContact CE2-CZ 4.32Å; F407-F475 AromaticContact CZ-CE2 3.95Å; F407-F475 HydrophobicContact CZ-CE2 3.95Å; F407-F475 AromaticContact CZ-CZ 3.76Å; F407-F475 HydrophobicContact CZ-CZ 3.76Å
408	D	87	Confident	86.8	Confident	20 Å²	20	41 Å²	41	11%	0.107	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.8	-24.6	174.4	60.9	-76	0	0	0	113.4	E406 R415 A448 N449	E406-D408 PolarHBondContact O-N 3.25Å; E406-D408 VanDerWaalsContact O-N 3.15Å; D408-R415 PolarHBondContact O-NH2 2.83Å; D408-A448 HydrophobicContact CB-CB 4.39Å; D408-N449 PolarHBondContact OD1-N 3.33Å
409	K	85.2	Confident	86.8	Confident	92 Å²	92	41.2 Å²	41.2	40%	0.4	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-86.7	-0.3	-179.6	-55.6	-53.4	-177.2	-131.1	0	114.5	R367 E406 F407	R367-K409 HydrophobicContact CG-CB 3.76Å; E406-K409 HydrophobicContact CB-CB 4.29Å; E406-K409 HydrophobicContact CB-CG 4.08Å; E406-K409 WeakPolarHBondContact O-CB 3.33Å; E406-K409 PolarHBondContact O-N 2.98Å; F407-K409 VanDerWaalsContact C-N 3.26Å; F407-K409 PolarHBondContact O-N 3.18Å
410	M	85.4	Confident	86.9	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.034	19%	0.194	C	C	.	.	S	Bend	trans	-73.8	144.6	177.2	-154	-154.5	-46	0	0	111.6	G366 L374 F407 D414 R415 V418	G366-M410 WeakPolarHBondContact O-CA 3.17Å; L374-M410 HydrophobicContact CD1-SD 4.12Å; F407-M410 HydrophobicContact CD2-CE 3.42Å; F407-M410 VanDerWaalsContact CD2-CE 3.42Å; F407-M410 HydrophobicContact CE2-CE 3.25Å; F407-M410 HydrophobicContact CG-CE 4.29Å; F407-M410 HydrophobicContact CZ-CE 4.01Å; F407-M410 WeakPolarHBondContact O-CB 3.31Å; F407-M410 PolarHBondContact O-N 3.46Å; M410-D414 HydrophobicContact CG-CB 3.72Å; M410-D414 HydrophobicContact SD-CB 3.57Å; M410-D414 VanDerWaalsContact SD-CB 3.57Å; M410-R415 HydrophobicContact CB-CG 4.38Å; M410-R415 HydrophobicContact CE-CG 4.26Å; M410-R415 PolarHBondContact O-NE 3.11Å; M410-R415 PolarHBondContact O-NH2 3.02Å; M410-R415 HydrophobicContact SD-CG 3.87Å; M410-V418 HydrophobicContact SD-CG2 4.42Å
411	S	86.2	Confident	87	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	19%	0.194	S	C	.	.			trans	-73.6	155.3	177.7	87.8	0	0	0	0	112.4	I413 D414 R415	S411-I413 VanDerWaalsContact C-N 3.26Å; S411-I413 PolarHBondContact O-N 3.14Å; S411-D414 WeakPolarHBondContact CB-OD2 3.39Å; S411-D414 PolarHBondContact O-N 3.32Å; S411-D414 VanDerWaalsContact O-N 3.12Å; S411-D414 PolarHBondContact OG-N 2.88Å; S411-D414 PolarHBondContact OG-OD2 2.8Å; S411-R415 WeakPolarHBondContact O-CG 3.39Å; S411-R415 PolarHBondContact O-N 3.46Å
412	D	84.6	Confident	86.9	Confident	98 Å²	98	37 Å²	37	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-30.2	-179.4	-66	-46.8	0	0	0	113.4	R415 T416	D412-R415 PolarHBondContact O-N 3.26Å; D412-R415 WeakPolarHBondContact OD1-CD 3.16Å; D412-R415 IonicContact OD1-CZ 2.66Å; D412-R415 IonicContact OD1-NE 2.99Å; D412-R415 IonicContact OD1-NH1 2.61Å; D412-R415 PolarHBondContact OD1-NH1 3.37Å; D412-T416 WeakPolarHBondContact O-CG2 3.39Å; D412-T416 PolarHBondContact O-N 2.87Å; D412-T416 VanDerWaalsContact O-N 3.11Å
413	I	83.8	Confident	86.5	Confident	134 Å²	134	41 Å²	41	69%	0.687	21%	0.213	S	C	*	.	H	α-helix	trans	-60.8	-48.1	173.6	-58.3	175.1	0	0	0	109.8	S411 T416 A417	S411-I413 VanDerWaalsContact C-N 3.26Å; S411-I413 PolarHBondContact O-N 3.14Å; I413-T416 PolarHBondContact O-N 3.27Å; I413-T416 PolarHBondContact O-OG1 2.82Å; I413-A417 PolarHBondContact O-N 3.49Å
414	D	85.1	Confident	86.1	Confident	24 Å²	24	46.1 Å²	46.1	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-38.2	-177.8	-50.3	-42.5	0	0	0	111.1	G371 M410 S411 T416 A417 V418	G371-D414 VanDerWaalsContact N-CG 3.34Å; G371-D414 PolarHBondContact N-OD1 3.12Å; M410-D414 HydrophobicContact CG-CB 3.72Å; M410-D414 HydrophobicContact SD-CB 3.57Å; M410-D414 VanDerWaalsContact SD-CB 3.57Å; S411-D414 WeakPolarHBondContact CB-OD2 3.39Å; S411-D414 PolarHBondContact O-N 3.32Å; S411-D414 VanDerWaalsContact O-N 3.12Å; S411-D414 PolarHBondContact OG-N 2.88Å; S411-D414 PolarHBondContact OG-OD2 2.8Å; D414-T416 VanDerWaalsContact C-N 3.31Å; D414-T416 PolarHBondContact O-N 2.98Å; D414-A417 WeakPolarHBondContact O-CB 3.21Å; D414-A417 PolarHBondContact O-N 2.83Å; D414-A417 VanDerWaalsContact O-N 3.1Å; D414-V418 PolarHBondContact O-N 3.01Å
415	R	82.9	Confident	85.8	Confident	38 Å²	38	46.2 Å²	46.2	14%	0.143	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-42.4	172.5	-66	170.3	-169.7	-178.9	-11.1	111.6	D408 M410 S411 D412 A417 V418 H419 M467	D408-R415 PolarHBondContact O-NH2 2.83Å; M410-R415 HydrophobicContact CB-CG 4.38Å; M410-R415 HydrophobicContact CE-CG 4.26Å; M410-R415 PolarHBondContact O-NE 3.11Å; M410-R415 PolarHBondContact O-NH2 3.02Å; M410-R415 HydrophobicContact SD-CG 3.87Å; S411-R415 WeakPolarHBondContact O-CG 3.39Å; S411-R415 PolarHBondContact O-N 3.46Å; D412-R415 PolarHBondContact O-N 3.26Å; D412-R415 WeakPolarHBondContact OD1-CD 3.16Å; D412-R415 IonicContact OD1-CZ 2.66Å; D412-R415 IonicContact OD1-NE 2.99Å; D412-R415 IonicContact OD1-NH1 2.61Å; D412-R415 PolarHBondContact OD1-NH1 3.37Å; R415-A417 VanDerWaalsContact C-N 3.29Å; R415-A417 PolarHBondContact O-N 2.82Å; R415-V418 PolarHBondContact O-N 2.73Å; R415-H419 PolarHBondContact O-CD2 3.39Å; R415-H419 PolarHBondContact O-N 2.88Å; R415-H419 VanDerWaalsContact O-N 3.13Å; R415-M467 PolarHBondContact NH2-SD 2.9Å; R415-M467 VanDerWaalsContact NH2-SD 3.38Å
416	T	83.7	Confident	85.6	Confident	89 Å²	89	49.7 Å²	49.7	55%	0.546	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-30.6	176.7	65.8	0	0	0	0	113.9	D412 I413 D414 H419	D412-T416 WeakPolarHBondContact O-CG2 3.39Å; D412-T416 PolarHBondContact O-N 2.87Å; D412-T416 VanDerWaalsContact O-N 3.11Å; I413-T416 PolarHBondContact O-N 3.27Å; I413-T416 PolarHBondContact O-OG1 2.82Å; D414-T416 VanDerWaalsContact C-N 3.31Å; D414-T416 PolarHBondContact O-N 2.98Å; T416-H419 WeakPolarHBondContact O-CB 3.49Å; T416-H419 PolarHBondContact O-N 2.93Å
417	A	84.3	Confident	85.5	Confident	21 Å²	21	46.4 Å²	46.4	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-41.4	175.9	0	0	0	0	0	110.7	T375 I413 D414 R415 H419 E420 V421	T375-A417 HydrophobicContact CG2-CB 3.88Å; I413-A417 PolarHBondContact O-N 3.49Å; D414-A417 WeakPolarHBondContact O-CB 3.21Å; D414-A417 PolarHBondContact O-N 2.83Å; D414-A417 VanDerWaalsContact O-N 3.1Å; R415-A417 VanDerWaalsContact C-N 3.29Å; R415-A417 PolarHBondContact O-N 2.82Å; A417-H419 VanDerWaalsContact C-N 3.28Å; A417-H419 PolarHBondContact O-N 3.45Å; A417-E420 PolarHBondContact O-N 3.3Å; A417-V421 WeakPolarHBondContact O-CG2 3.09Å
418	V	86	Confident	85.3	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-31.1	176.8	178.6	0	0	0	0	112.2	L374 M394 M410 D414 R415 E420 V421 M422	L374-V418 HydrophobicContact CD1-CG2 3.69Å; M394-V418 HydrophobicContact CE-CG1 4.3Å; M394-V418 HydrophobicContact SD-CG1 4.46Å; M394-V418 HydrophobicContact SD-CG2 4.21Å; M410-V418 HydrophobicContact SD-CG2 4.42Å; D414-V418 PolarHBondContact O-N 3.01Å; R415-V418 PolarHBondContact O-N 2.73Å; V418-E420 PolarHBondContact O-N 2.69Å; V418-V421 PolarHBondContact O-N 2.97Å; V418-M422 HydrophobicContact CG1-CG 3.8Å; V418-M422 HydrophobicContact CG1-SD 3.44Å; V418-M422 WeakPolarHBondContact CG1-SD 3.2Å; V418-M422 WeakPolarHBondContact O-CB 3.27Å; V418-M422 WeakPolarHBondContact O-CG 3.33Å; V418-M422 PolarHBondContact O-N 2.86Å
419	H	85	Confident	85.2	Confident	23 Å²	23	49.2 Å²	49.2	11%	0.106	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-40.5	178.1	-69.8	177.3	0	0	0	114.2	R415 T416 A417 E423 R474	R415-H419 PolarHBondContact O-CD2 3.39Å; R415-H419 PolarHBondContact O-N 2.88Å; R415-H419 VanDerWaalsContact O-N 3.13Å; T416-H419 WeakPolarHBondContact O-CB 3.49Å; T416-H419 PolarHBondContact O-N 2.93Å; A417-H419 VanDerWaalsContact C-N 3.28Å; A417-H419 PolarHBondContact O-N 3.45Å; H419-E423 WeakPolarHBondContact O-CB 3.49Å; H419-E423 PolarHBondContact O-N 2.89Å; H419-R474 VanDerWaalsContact CG-NH1 3.32Å; H419-R474 PolarHBondContact ND1-NH1 2.78Å; H419-R474 PolarHBondContact O-NE 3.14Å
420	E	85.5	Confident	85.2	Confident	57 Å²	57	49.8 Å²	49.8	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-48.3	177.2	-175.1	-176.4	156	0	0	110	A417 V418 E423 Q424 T428	A417-E420 PolarHBondContact O-N 3.3Å; V418-E420 PolarHBondContact O-N 2.69Å; E420-E423 PolarHBondContact O-N 3.1Å; E420-Q424 WeakPolarHBondContact O-CB 3.37Å; E420-Q424 PolarHBondContact O-N 3.06Å; E420-T428 WeakPolarHBondContact OE1-CB 3.49Å; E420-T428 PolarHBondContact OE1-N 2.96Å; E420-T428 PolarHBondContact OE1-OG1 2.94Å
421	V	88.5	Confident	85.1	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-47.9	-174.8	-157.4	0	0	0	0	112	T375 M394 A417 V418 E423 G425 T427 A440	T375-V421 HydrophobicContact CG2-CG2 3.84Å; M394-V421 HydrophobicContact CB-CG1 4.27Å; M394-V421 HydrophobicContact CE-CB 3.65Å; M394-V421 HydrophobicContact CE-CG1 3.66Å; M394-V421 HydrophobicContact CE-CG2 4.21Å; M394-V421 HydrophobicContact SD-CB 3.93Å; M394-V421 HydrophobicContact SD-CG1 4.08Å; M394-V421 HydrophobicContact SD-CG2 3.79Å; A417-V421 WeakPolarHBondContact O-CG2 3.09Å; V418-V421 PolarHBondContact O-N 2.97Å; V421-E423 PolarHBondContact O-N 2.97Å; V421-G425 VanDerWaalsContact O-CA 3.24Å; V421-G425 WeakPolarHBondContact O-CA 3.44Å; V421-G425 PolarHBondContact O-N 2.83Å; V421-T427 HydrophobicContact CB-CG2 4.23Å; V421-T427 HydrophobicContact CG1-CG2 3.82Å; V421-T427 HydrophobicContact CG2-CG2 3.55Å; V421-A440 HydrophobicContact CG1-CB 3.42Å; V421-A440 VanDerWaalsContact CG1-CB 3.42Å
422	M	88.1	Confident	84.8	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-26.5	-179.9	-75.3	176.9	78.6	0	0	112.8	R332 N336 V418 V444 L471 R474 F475	R332-M422 VanDerWaalsContact CD-O 3.3Å; R332-M422 WeakPolarHBondContact CD-O 3.29Å; R332-M422 PolarHBondContact NH1-O 3.32Å; N336-M422 HydrophobicContact CB-CE 4.11Å; N336-M422 WeakPolarHBondContact ND2-CE 3.38Å; V418-M422 HydrophobicContact CG1-CG 3.8Å; V418-M422 HydrophobicContact CG1-SD 3.44Å; V418-M422 WeakPolarHBondContact CG1-SD 3.2Å; V418-M422 WeakPolarHBondContact O-CB 3.27Å; V418-M422 WeakPolarHBondContact O-CG 3.33Å; V418-M422 PolarHBondContact O-N 2.86Å; M422-V444 HydrophobicContact CG-CG2 4.03Å; M422-L471 HydrophobicContact SD-CD1 4.22Å; M422-R474 HydrophobicContact CE-CB 3.93Å; M422-F475 HydrophobicContact CE-CD1 3.87Å; M422-F475 HydrophobicContact CE-CD2 4.13Å; M422-F475 HydrophobicContact CE-CE1 3.64Å; M422-F475 HydrophobicContact CE-CE2 3.91Å; M422-F475 HydrophobicContact CE-CG 4.11Å; M422-F475 HydrophobicContact CE-CZ 3.66Å; M422-F475 HydrophobicContact SD-CZ 4.4Å
423	E	82.1	Confident	84.4	Confident	82 Å²	82	53.9 Å²	53.9	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-88.7	-53.7	-178.9	-161.5	62.9	-158.9	0	0	112.1	H419 E420 V421 R474 R611	H419-E423 WeakPolarHBondContact O-CB 3.49Å; H419-E423 PolarHBondContact O-N 2.89Å; E420-E423 PolarHBondContact O-N 3.1Å; V421-E423 PolarHBondContact O-N 2.97Å; E423-R474 IonicContact OE2-NE 2.91Å; E423-R611 VanDerWaalsContact CD-NH1 3.33Å; E423-R611 IonicContact OE1-CZ 3.22Å; E423-R611 IonicContact OE1-NH1 2.78Å; E423-R611 PolarHBondContact OE1-NH1 3.28Å; E423-R611 VanDerWaalsContact OE1-NH1 3.14Å; E423-R611 IonicContact OE1-NH2 2.8Å; E423-R611 IonicContact OE2-CZ 3.74Å; E423-R611 IonicContact OE2-NH1 3.97Å; E423-R611 PolarHBondContact OE2-NH1 3.35Å; E423-R611 IonicContact OE2-NH2 2.64Å; E423-R611 PolarHBondContact OE2-NH2 2.74Å
424	Q	84.8	Confident	84.3	Confident	112 Å²	112	48.8 Å²	48.8	52%	0.523	28%	0.275	S	S	.	.	H	α-helix	trans	-89.8	-19.6	-171.3	-55.1	-173.8	11.3	0	0	112.8	R330 E420 R426	R330-Q424 PolarHBondContact NH1-O 3.03Å; E420-Q424 WeakPolarHBondContact O-CB 3.37Å; E420-Q424 PolarHBondContact O-N 3.06Å; Q424-R426 PolarHBondContact O-N 3.11Å
425	G	84.5	Confident	84.3	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	63	25.9	-171.7	0	0	0	0	0	113.3	V421 A440 R441	V421-G425 VanDerWaalsContact O-CA 3.24Å; V421-G425 WeakPolarHBondContact O-CA 3.44Å; V421-G425 PolarHBondContact O-N 2.83Å; G425-A440 CarbonylContact O-C 3.54Å; G425-A440 PolarHBondContact O-N 2.76Å; G425-R441 WeakPolarHBondContact O-CG 3.45Å
426	R	87.7	Confident	84.3	Confident	108 Å²	108	54.7 Å²	54.7	41%	0.408	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.1	-179.8	-65.6	-176	-179.2	154.4	3.3	108.6	Q424 L438	Q424-R426 PolarHBondContact O-N 3.11Å; R426-L438 CarbonylContact C-O 3.57Å; R426-L438 VanDerWaalsContact CA-O 3.26Å; R426-L438 WeakPolarHBondContact CA-O 3.23Å
427	T	86	Confident	84.4	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.9	172.6	70.7	0	0	0	0	109.3	T375 V395 V421 T437 L438 A440	T375-T427 HydrophobicContact CG2-CG2 4.31Å; V395-T427 HydrophobicContact CG2-CG2 4.5Å; V421-T427 HydrophobicContact CB-CG2 4.23Å; V421-T427 HydrophobicContact CG1-CG2 3.82Å; V421-T427 HydrophobicContact CG2-CG2 3.55Å; T427-T437 WeakPolarHBondContact O-CA 3.41Å; T427-L438 PolarHBondContact N-O 3.34Å; T427-L438 PolarHBondContact O-N 3.33Å; T427-A440 HydrophobicContact CG2-CB 3.91Å
428	T	85.4	Confident	84.4	Confident	73 Å²	73	55.4 Å²	55.4	45%	0.448	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.8	176.7	63.7	0	0	0	0	110	E420 T437	E420-T428 WeakPolarHBondContact OE1-CB 3.49Å; E420-T428 PolarHBondContact OE1-N 2.96Å; E420-T428 PolarHBondContact OE1-OG1 2.94Å; T428-T437 HydrophobicContact CG2-CG2 3.97Å
429	I	84.8	Confident	84.4	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.051	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.5	180	-65.5	-178.7	0	0	0	108.7	A376 V378 L389 K431 I434 Q435 A436	A376-I429 HydrophobicContact CB-CD1 3.3Å; A376-I429 WeakPolarHBondContact O-CD1 3.39Å; V378-I429 HydrophobicContact CG2-CG2 4.05Å; L389-I429 HydrophobicContact CD1-CD1 4.49Å; I429-K431 HydrophobicContact CG2-CB 4.15Å; I429-K431 HydrophobicContact CG2-CG 4.34Å; I429-I434 VanDerWaalsContact O-O 3.12Å; I429-Q435 WeakPolarHBondContact O-CA 3.36Å; I429-A436 PolarHBondContact N-O 2.86Å; I429-A436 PolarHBondContact O-N 3.19Å
430	T	84.4	Confident	84.4	Confident	104 Å²	104	57.8 Å²	57.8	64%	0.638	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	84.3	169.5	-61	0	0	0	0	107.6	I434 Q435	T430-I434 WeakPolarHBondContact CA-O 3.19Å; T430-Q435 HydrophobicContact CG2-CG 3.93Å
431	K	83.2	Confident	84.5	Confident	110 Å²	110	57 Å²	57	48%	0.478	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.9	-178.8	-72.4	-175.8	-179.8	172.6	0	110.4	V378 I429 G433 I434	V378-K431 HydrophobicContact CG2-CB 4.11Å; I429-K431 HydrophobicContact CG2-CB 4.15Å; I429-K431 HydrophobicContact CG2-CG 4.34Å; K431-G433 VanDerWaalsContact C-N 3.25Å; K431-G433 PolarHBondContact O-N 3.39Å; K431-G433 VanDerWaalsContact O-N 3.14Å; K431-I434 PolarHBondContact N-O 2.89Å; K431-I434 PolarHBondContact O-N 3.24Å
432	A	79.9	Confident	84.5	Confident	54 Å²	54	57.2 Å²	57.2	45%	0.446	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	43.5	175.9	0	0	0	0	0	114.1	V378 R387 I434	V378-A432 HydrophobicContact CG1-CB 4.16Å; R387-A432 WeakPolarHBondContact CD-O 3.5Å; R387-A432 PolarHBondContact NH1-O 3.39Å; A432-I434 PolarHBondContact O-N 3.17Å
433	G	77.9	Confident	84.7	Confident	79 Å²	79	57.2 Å²	57.2	81%	0.814	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-6.7	179.1	0	0	0	0	0	115.6	K431	K431-G433 VanDerWaalsContact C-N 3.25Å; K431-G433 PolarHBondContact O-N 3.39Å; K431-G433 VanDerWaalsContact O-N 3.14Å
434	I	80.5	Confident	85.2	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.138	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123	168.7	-57.4	-173.5	0	0	0	108	V378 R387 I429 T430 K431 A432 A436	V378-I434 HydrophobicContact CG1-CD1 3.78Å; V378-I434 HydrophobicContact CG1-CG1 4.39Å; V378-I434 HydrophobicContact CG2-CB 4.21Å; V378-I434 HydrophobicContact CG2-CD1 4.18Å; R387-I434 HydrophobicContact CB-CD1 3.89Å; R387-I434 HydrophobicContact CB-CG1 4.43Å; I429-I434 VanDerWaalsContact O-O 3.12Å; T430-I434 WeakPolarHBondContact CA-O 3.19Å; K431-I434 PolarHBondContact N-O 2.89Å; K431-I434 PolarHBondContact O-N 3.24Å; A432-I434 PolarHBondContact O-N 3.17Å; I434-A436 HydrophobicContact CG2-CB 3.98Å
435	Q	85.6	Confident	85.6	Confident	163 Å²	163	48 Å²	48	76%	0.762	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	101.9	167.1	-72.6	-177.1	-0.2	0	0	107.7	I429 T430	I429-Q435 WeakPolarHBondContact O-CA 3.36Å; T430-Q435 HydrophobicContact CG2-CG 3.93Å
436	A	83.1	Confident	86	Confident	23 Å²	23	47.9 Å²	47.9	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144	-177.9	0	0	0	0	0	110.5	L389 I429 I434	L389-A436 HydrophobicContact CD2-CB 3.98Å; I429-A436 PolarHBondContact N-O 2.86Å; I429-A436 PolarHBondContact O-N 3.19Å; I434-A436 HydrophobicContact CG2-CB 3.98Å
437	T	85.8	Confident	86.2	Confident	104 Å²	104	42.8 Å²	42.8	64%	0.638	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.6	172.9	64.3	0	0	0	0	108.8	T427 T428	T427-T437 WeakPolarHBondContact O-CA 3.41Å; T428-T437 HydrophobicContact CG2-CG2 3.97Å
438	L	84.8	Confident	86.5	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.2	-179.8	-59	171.4	0	0	0	109.8	A376 L389 V395 R426 T427	A376-L438 HydrophobicContact CB-CD1 3.6Å; L389-L438 HydrophobicContact CD2-CD1 4.12Å; L389-L438 HydrophobicContact CD2-CD2 3.93Å; L389-L438 HydrophobicContact CD2-CG 4.34Å; V395-L438 HydrophobicContact CG1-CB 4.29Å; V395-L438 HydrophobicContact CG1-CD1 4.25Å; V395-L438 HydrophobicContact CG2-CB 4.03Å; V395-L438 HydrophobicContact CG2-CD1 3.99Å; R426-L438 CarbonylContact C-O 3.57Å; R426-L438 VanDerWaalsContact CA-O 3.26Å; R426-L438 WeakPolarHBondContact CA-O 3.23Å; T427-L438 PolarHBondContact N-O 3.34Å; T427-L438 PolarHBondContact O-N 3.33Å
439	N	84.8	Confident	86.6	Confident	73 Å²	73	41.4 Å²	41.4	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	172.7	-65.6	-70	0	0	0	109.1
440	A	86.1	Confident	86.8	Confident	1 Å²	1	41 Å²	41	1%	0.008	24%	0.244	C	C	.	.			trans	-140.8	63.1	-178.7	0	0	0	0	0	108.9	M394 V395 V421 G425 T427 C442	M394-A440 HydrophobicContact CB-CB 4.47Å; V395-A440 HydrophobicContact CG2-CB 4.2Å; V421-A440 HydrophobicContact CG1-CB 3.42Å; V421-A440 VanDerWaalsContact CG1-CB 3.42Å; G425-A440 CarbonylContact O-C 3.54Å; G425-A440 PolarHBondContact O-N 2.76Å; T427-A440 HydrophobicContact CG2-CB 3.91Å; A440-C442 PolarHBondContact O-N 3.19Å
441	R	87.4	Confident	86.9	Confident	39 Å²	39	41.6 Å²	41.6	15%	0.147	24%	0.242	C	C	.	.			trans	-86.3	63.8	-174.8	-49.8	170.9	-76.7	-160.3	-11.6	108.9	R330 D398 R399 G425	R330-R441 VanDerWaalsContact NH2-CD 3.28Å; D398-R441 WeakPolarHBondContact OD1-CA 3.35Å; D398-R441 WeakPolarHBondContact OD1-CB 3.34Å; D398-R441 VanDerWaalsContact OD1-CG 3.22Å; D398-R441 WeakPolarHBondContact OD1-CG 3.3Å; D398-R441 IonicContact OD1-CZ 2.61Å; D398-R441 PolarHBondContact OD1-N 3.38Å; D398-R441 IonicContact OD1-NE 2.72Å; D398-R441 PolarHBondContact OD1-NE 2.93Å; D398-R441 IonicContact OD1-NH2 2.7Å; D398-R441 IonicContact OD2-CZ 3.58Å; D398-R441 IonicContact OD2-NE 3.64Å; D398-R441 PolarHBondContact OD2-NE 3.08Å; D398-R441 IonicContact OD2-NH2 3.11Å; D398-R441 PolarHBondContact OD2-NH2 2.74Å; R399-R441 WeakPolarHBondContact CA-O 3.37Å; R399-R441 PolarHBondContact N-O 2.89Å; G425-R441 WeakPolarHBondContact O-CG 3.45Å
442	C	88.6	Confident	86.8	Confident	8 Å²	8	39.8 Å²	39.8	5%	0.054	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-103.2	140.2	-176.3	56.2	0	0	0	0	110.4	G397 V402 A440	G397-C442 WeakPolarHBondContact O-CB 3.4Å; V402-C442 HydrophobicContact CG2-CB 3.74Å; A440-C442 PolarHBondContact O-N 3.19Å
443	S	90.8	Very high	86.8	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128.7	163.2	-57.9	0	0	0	0	108.3	I335 G400 V401 V402	I335-S443 WeakPolarHBondContact O-CB 3.08Å; G400-S443 PolarHBondContact O-N 3.44Å; G400-S443 VanDerWaalsContact O-N 3.07Å; V401-S443 CarbonylContact C-O 3.59Å; V401-S443 VanDerWaalsContact CA-O 3.31Å; V401-S443 WeakPolarHBondContact CA-O 3.44Å; V402-S443 PolarHBondContact N-O 3.26Å
444	V	92.6	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.6	179.9	-178	0	0	0	0	110.3	N336 V337 M394 I404 M422 F475	N336-V444 WeakPolarHBondContact CA-O 3.5Å; N336-V444 PolarHBondContact OD1-N 3.28Å; V337-V444 PolarHBondContact N-O 3.39Å; M394-V444 HydrophobicContact CE-CG2 3.95Å; I404-V444 HydrophobicContact CD1-CG1 3.84Å; I404-V444 HydrophobicContact CG1-CG1 4.29Å; M422-V444 HydrophobicContact CG-CG2 4.03Å; V444-F475 HydrophobicContact CG1-CE1 4.28Å
445	L	94	Very high	87	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	109.4	167.8	-178.6	61.7	0	0	0	108.5	L316 V337 L339 L351 V354 V401 V402 C403 I404	L316-L445 HydrophobicContact CD2-CB 3.87Å; L316-L445 HydrophobicContact CD2-CD1 4.19Å; L316-L445 HydrophobicContact CD2-CD2 4.13Å; L316-L445 HydrophobicContact CD2-CG 4.28Å; V337-L445 HydrophobicContact CB-CD1 3.8Å; V337-L445 HydrophobicContact CG1-CD1 3.87Å; V337-L445 WeakPolarHBondContact O-CA 3.38Å; L339-L445 HydrophobicContact CD1-CD1 4.28Å; L339-L445 HydrophobicContact CG-CD1 4.26Å; L351-L445 HydrophobicContact CD2-CB 4.43Å; L351-L445 HydrophobicContact CD2-CD2 3.6Å; L351-L445 HydrophobicContact CD2-CG 3.54Å; V354-L445 HydrophobicContact CB-CD2 4.02Å; V354-L445 HydrophobicContact CG1-CD2 3.98Å; V354-L445 HydrophobicContact CG2-CD2 3.75Å; V401-L445 HydrophobicContact CG1-CB 4.16Å; V402-L445 PolarHBondContact O-N 2.94Å; C403-L445 CarbonylContact C-O 3.52Å; C403-L445 VanDerWaalsContact CA-O 3.31Å; C403-L445 WeakPolarHBondContact CA-O 3.21Å; I404-L445 PolarHBondContact N-O 3.32Å
446	A	92.6	Very high	86.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.1	-179.2	0	0	0	0	0	110.9	V337 L338 L339 I404 F407 F475	V337-A446 PolarHBondContact O-N 3.18Å; L338-A446 WeakPolarHBondContact CA-O 3.47Å; L338-A446 HydrophobicContact CD1-CB 3.6Å; L339-A446 PolarHBondContact N-O 2.76Å; I404-A446 CarbonylContact O-C 3.35Å; I404-A446 WeakPolarHBondContact O-CA 3.47Å; F407-A446 HydrophobicContact CB-CB 4.12Å; F407-A446 HydrophobicContact CD1-CB 4.42Å; F407-A446 HydrophobicContact CD2-CB 3.89Å; F407-A446 HydrophobicContact CE2-CB 4.38Å; F407-A446 HydrophobicContact CG-CB 3.91Å; A446-F475 HydrophobicContact CB-CE1 3.97Å; A446-F475 HydrophobicContact CB-CZ 3.97Å
447	A	92.8	Very high	86.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.1	166.3	0	0	0	0	0	110	L339 K347 L351 I404 E406 F407	L339-A447 WeakPolarHBondContact O-CA 3.42Å; K347-A447 HydrophobicContact CB-CB 4.31Å; L351-A447 HydrophobicContact CD1-CB 3.91Å; L351-A447 HydrophobicContact CG-CB 4.42Å; I404-A447 PolarHBondContact O-N 2.99Å; E406-A447 PolarHBondContact N-O 2.82Å; F407-A447 VanDerWaalsContact CB-O 3.26Å; F407-A447 WeakPolarHBondContact CB-O 3.36Å; F407-A447 PolarHBondContact N-O 2.86Å
448	A	90.9	Very high	86.1	Confident	1 Å²	1	45 Å²	45	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151	179.4	0	0	0	0	0	111	L338 L339 V340 G341 K347 F407 D408 L465	L338-A448 HydrophobicContact CD1-CB 4.15Å; L339-A448 PolarHBondContact O-N 3.5Å; V340-A448 WeakPolarHBondContact CA-O 3.47Å; G341-A448 PolarHBondContact N-O 3.04Å; K347-A448 PolarHBondContact NZ-O 2.98Å; F407-A448 HydrophobicContact CB-CB 4.4Å; D408-A448 HydrophobicContact CB-CB 4.39Å; A448-L465 HydrophobicContact CB-CD1 3.85Å
449	N	89.2	Confident	85.7	Confident	46 Å²	46	48.1 Å²	48.1	25%	0.246	24%	0.244	C	C	.	.			trans	-109	146.2	172.7	-59.4	-40.3	0	0	0	109.8	K347 D408	K347-N449 PolarHBondContact NZ-OD1 3.22Å; D408-N449 PolarHBondContact OD1-N 3.33Å
450	P	88.1	Confident	85	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.013	23%	0.233	C	C	.	.			trans	-65.5	152.3	176.2	28.6	-35.6	0	0	0	110.8	G341 S452 G453 R454 N464	G341-P450 WeakPolarHBondContact O-CD 3.47Å; P450-S452 VanDerWaalsContact C-N 3.27Å; P450-S452 PolarHBondContact O-N 2.91Å; P450-G453 PolarHBondContact O-N 3.42Å; P450-R454 VanDerWaalsContact CG-C 3.48Å; P450-N464 CarbonylContact C-O 3.59Å; P450-N464 VanDerWaalsContact CA-O 3.28Å; P450-N464 WeakPolarHBondContact CA-O 3.16Å
451	I	85.6	Confident	84.2	Confident	116 Å²	116	46.3 Å²	46.3	60%	0.595	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.6	-175.7	-55.2	171.1	0	0	0	111.3	G453 E463 N464	I451-G453 PolarHBondContact O-N 3.21Å; I451-E463 VanDerWaalsContact CD1-O 3.31Å; I451-E463 WeakPolarHBondContact CD1-O 3.45Å; I451-N464 PolarHBondContact N-O 3.41Å
452	S	81.1	Confident	83.5	Confident	72 Å²	72	48.3 Å²	48.3	50%	0.503	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	0.4	177.9	35.8	0	0	0	0	114.5	P450 R454	P450-S452 VanDerWaalsContact C-N 3.27Å; P450-S452 PolarHBondContact O-N 2.91Å; S452-R454 WeakPolarHBondContact CB-O 3.45Å; S452-R454 PolarHBondContact O-N 3.47Å; S452-R454 PolarHBondContact OG-O 3.37Å
453	G	80.4	Confident	83.1	Confident	35 Å²	35	53.9 Å²	53.9	36%	0.361	27%	0.274	S	S	.	.	S	Bend	trans	73.6	-27.6	-176.2	0	0	0	0	0	114.5	P343 P450 I451	P343-G453 WeakPolarHBondContact CD-O 3.46Å; P450-G453 PolarHBondContact O-N 3.42Å; I451-G453 PolarHBondContact O-N 3.21Å
454	R	81.9	Confident	82.6	Confident	168 Å²	168	53.7 Å²	53.7	63%	0.634	27%	0.273	S	S	*	.	S	Bend	trans	-116.9	147.8	161.7	-70.2	-174.8	175.8	-158.2	-7.2	110.9	D342 P450 S452	D342-R454 WeakPolarHBondContact OD1-CA 3.26Å; P450-R454 VanDerWaalsContact CG-C 3.48Å; S452-R454 WeakPolarHBondContact CB-O 3.45Å; S452-R454 PolarHBondContact O-N 3.47Å; S452-R454 PolarHBondContact OG-O 3.37Å
455	Y	80.6	Confident	81.9	Confident	30 Å²	30	54.2 Å²	54.2	12%	0.118	28%	0.276	C	S	.	.			trans	-73.5	127.8	174.5	-169.1	-84.2	0	0	0	110.1	D342 D457 P461 N464 V480 M482	D342-Y455 PolarHBondContact OD1-N 3.47Å; Y455-D457 WeakPolarHBondContact CD1-OD1 3.22Å; Y455-D457 VanDerWaalsContact CE1-OD1 3.25Å; Y455-D457 WeakPolarHBondContact CE1-OD1 3.35Å; Y455-P461 HydrophobicContact CE2-CB 4.43Å; Y455-P461 WeakPolarHBondContact OH-CA 3.36Å; Y455-P461 VanDerWaalsContact OH-CB 3.26Å; Y455-P461 WeakPolarHBondContact OH-CB 3.42Å; Y455-N464 HydrophobicContact CD2-CB 4.14Å; Y455-N464 HydrophobicContact CE2-CB 3.82Å; Y455-N464 VanDerWaalsContact CZ-ND2 3.3Å; Y455-N464 PolarHBondContact OH-ND2 3.03Å; Y455-V480 HydrophobicContact CD1-CG1 4.25Å; Y455-V480 HydrophobicContact CD2-CG1 3.68Å; Y455-V480 HydrophobicContact CE1-CG1 4.2Å; Y455-V480 HydrophobicContact CE2-CG1 3.59Å; Y455-V480 HydrophobicContact CE2-CG2 4.29Å; Y455-V480 HydrophobicContact CG-CG1 4.02Å; Y455-M482 HydrophobicContact CD1-CG 4.43Å; Y455-M482 HydrophobicContact CD1-SD 4.16Å
456	D	81	Confident	81.2	Confident	51 Å²	51	56.3 Å²	56.3	27%	0.273	30%	0.297	S	S	.	.			trans	-104.8	110.6	-177.4	-174.1	-7.1	0	0	0	110.1	E458 K459 N464	D456-E458 PolarHBondContact O-N 3.01Å; D456-E458 PolarHBondContact OD1-N 3.32Å; D456-K459 HydrophobicContact CB-CB 4.49Å; D456-K459 HydrophobicContact CB-CD 4.41Å; D456-K459 HydrophobicContact CB-CG 4.37Å; D456-K459 PolarHBondContact O-N 3.35Å; D456-K459 IonicContact OD2-NZ 3.1Å; D456-K459 PolarHBondContact OD2-NZ 2.7Å; D456-N464 PolarHBondContact O-ND2 3.16Å
457	D	78.6	Confident	80.4	Confident	98 Å²	98	57.2 Å²	57.2	52%	0.524	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.2	-174.8	-96.4	5.7	0	0	0	114.3	Y455 K650	Y455-D457 WeakPolarHBondContact CD1-OD1 3.22Å; Y455-D457 VanDerWaalsContact CE1-OD1 3.25Å; Y455-D457 WeakPolarHBondContact CE1-OD1 3.35Å; D457-K650 IonicContact OD1-NZ 3.01Å; D457-K650 PolarHBondContact OD1-NZ 3Å; D457-K650 IonicContact OD2-NZ 3.43Å; D457-K650 PolarHBondContact OD2-NZ 3.21Å
458	E	75.8	Confident	79.8	Confident	176 Å²	176	63.1 Å²	63.1	82%	0.822	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-21.2	175.4	-61.2	-165.4	167.4	0	0	113	D456	D456-E458 PolarHBondContact O-N 3.01Å; D456-E458 PolarHBondContact OD1-N 3.32Å
459	K	75.8	Confident	79.2	Confident	87 Å²	87	66.8 Å²	66.8	38%	0.378	35%	0.348	S	S	.	.	S	Bend	trans	-95	154	-178.6	-66.4	-171.5	-176.9	102.7	0	111.8	D456 N464	D456-K459 HydrophobicContact CB-CB 4.49Å; D456-K459 HydrophobicContact CB-CD 4.41Å; D456-K459 HydrophobicContact CB-CG 4.37Å; D456-K459 PolarHBondContact O-N 3.35Å; D456-K459 IonicContact OD2-NZ 3.1Å; D456-K459 PolarHBondContact OD2-NZ 2.7Å; K459-N464 PolarHBondContact O-ND2 3.22Å
460	S	71.6	Confident	78.9	Confident	22 Å²	22	67.1 Å²	67.1	15%	0.154	35%	0.354	C	S	.	.			trans	-62	142.6	171.4	68	0	0	0	0	110.2	M462 E463 N464	S460-M462 PolarHBondContact O-N 2.88Å; S460-M462 VanDerWaalsContact O-N 3.13Å; S460-E463 PolarHBondContact O-N 2.85Å; S460-E463 VanDerWaalsContact O-N 3.07Å; S460-E463 WeakPolarHBondContact OG-CB 3.41Å; S460-E463 VanDerWaalsContact OG-CD 3.25Å; S460-E463 VanDerWaalsContact OG-CG 3.29Å; S460-E463 WeakPolarHBondContact OG-CG 3.46Å; S460-E463 PolarHBondContact OG-N 2.78Å; S460-E463 PolarHBondContact OG-OE1 2.68Å; S460-N464 PolarHBondContact O-N 3.43Å; S460-N464 PolarHBondContact O-ND2 3.06Å
461	P	69.6	Low	78.7	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-56.6	-27.5	173.1	16.8	-28	0	0	0	112.6	Y455 L465 R604 T605	Y455-P461 HydrophobicContact CE2-CB 4.43Å; Y455-P461 WeakPolarHBondContact OH-CA 3.36Å; Y455-P461 VanDerWaalsContact OH-CB 3.26Å; Y455-P461 WeakPolarHBondContact OH-CB 3.42Å; P461-L465 WeakPolarHBondContact O-CB 3.04Å; P461-L465 PolarHBondContact O-N 2.9Å; P461-R604 WeakPolarHBondContact CG-O 3.41Å; P461-T605 HydrophobicContact CG-CG2 4.36Å
462	M	72.9	Confident	78.5	Confident	82 Å²	82	62 Å²	62	40%	0.404	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-50.3	173.6	-65.7	171.3	57.2	0	0	111.5	S460 L465 G466 D469 L472	S460-M462 PolarHBondContact O-N 2.88Å; S460-M462 VanDerWaalsContact O-N 3.13Å; M462-L465 PolarHBondContact O-N 2.74Å; M462-G466 PolarHBondContact O-N 2.93Å; M462-D469 WeakPolarHBondContact CE-OD1 3.24Å; M462-L472 HydrophobicContact CG-CD1 4.32Å
463	E	79.2	Confident	78.7	Confident	124 Å²	124	59.6 Å²	59.6	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-66.8	-38.8	174.9	-75	160.9	-127.1	0	0	112.6	I451 S460 L465	I451-E463 VanDerWaalsContact CD1-O 3.31Å; I451-E463 WeakPolarHBondContact CD1-O 3.45Å; S460-E463 PolarHBondContact O-N 2.85Å; S460-E463 VanDerWaalsContact O-N 3.07Å; S460-E463 WeakPolarHBondContact OG-CB 3.41Å; S460-E463 VanDerWaalsContact OG-CD 3.25Å; S460-E463 VanDerWaalsContact OG-CG 3.29Å; S460-E463 WeakPolarHBondContact OG-CG 3.46Å; S460-E463 PolarHBondContact OG-N 2.78Å; S460-E463 PolarHBondContact OG-OE1 2.68Å; E463-L465 VanDerWaalsContact C-N 3.26Å; E463-L465 PolarHBondContact O-N 2.76Å
464	N	80.6	Confident	79.1	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-30.6	178.1	-78.8	-36.5	0	0	0	113.2	P450 I451 Y455 D456 K459 S460	P450-N464 CarbonylContact C-O 3.59Å; P450-N464 VanDerWaalsContact CA-O 3.28Å; P450-N464 WeakPolarHBondContact CA-O 3.16Å; I451-N464 PolarHBondContact N-O 3.41Å; Y455-N464 HydrophobicContact CD2-CB 4.14Å; Y455-N464 HydrophobicContact CE2-CB 3.82Å; Y455-N464 VanDerWaalsContact CZ-ND2 3.3Å; Y455-N464 PolarHBondContact OH-ND2 3.03Å; D456-N464 PolarHBondContact O-ND2 3.16Å; K459-N464 PolarHBondContact O-ND2 3.22Å; S460-N464 PolarHBondContact O-N 3.43Å; S460-N464 PolarHBondContact O-ND2 3.06Å
465	L	77.7	Confident	79.4	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-97.7	-31.2	-176.6	-170.3	66.4	0	0	0	113.1	L338 V340 A448 P461 M462 E463 M467 L472	L338-L465 HydrophobicContact CD2-CD2 4.01Å; V340-L465 HydrophobicContact CB-CD1 4.44Å; V340-L465 HydrophobicContact CG1-CD1 3.85Å; V340-L465 HydrophobicContact CG2-CD1 3.74Å; V340-L465 HydrophobicContact CG2-CD2 4.02Å; V340-L465 HydrophobicContact CG2-CG 4.5Å; A448-L465 HydrophobicContact CB-CD1 3.85Å; P461-L465 WeakPolarHBondContact O-CB 3.04Å; P461-L465 PolarHBondContact O-N 2.9Å; M462-L465 PolarHBondContact O-N 2.74Å; E463-L465 VanDerWaalsContact C-N 3.26Å; E463-L465 PolarHBondContact O-N 2.76Å; L465-M467 HydrophobicContact CD2-CB 4.28Å; L465-M467 HydrophobicContact CD2-CG 3.99Å; L465-M467 HydrophobicContact CG-CB 4.32Å; L465-M467 HydrophobicContact CG-CG 3.68Å; L465-L472 HydrophobicContact CD2-CD2 3.62Å
466	G	79.1	Confident	79.8	Confident	44 Å²	44	50.8 Å²	50.8	45%	0.454	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	28.4	175.3	0	0	0	0	0	114.6	M462	M462-G466 PolarHBondContact O-N 2.93Å
467	M	76.1	Confident	80.2	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.089	25%	0.254	C	S	.	.			trans	-114.9	150.3	-176.9	-56.7	-65.7	-80.7	0	0	110.4	F407 R415 L465 L471 L472	F407-M467 HydrophobicContact CD1-CE 3.85Å; F407-M467 HydrophobicContact CE1-CE 3.57Å; R415-M467 PolarHBondContact NH2-SD 2.9Å; R415-M467 VanDerWaalsContact NH2-SD 3.38Å; L465-M467 HydrophobicContact CD2-CB 4.28Å; L465-M467 HydrophobicContact CD2-CG 3.99Å; L465-M467 HydrophobicContact CG-CB 4.32Å; L465-M467 HydrophobicContact CG-CG 3.68Å; M467-L471 HydrophobicContact CE-CD2 3.48Å; M467-L471 VanDerWaalsContact CE-CD2 3.48Å; M467-L472 HydrophobicContact CB-CD2 4.38Å
468	Q	79.8	Confident	80.7	Confident	125 Å²	125	43.9 Å²	43.9	58%	0.584	23%	0.23	S	C	*	.			trans	-73	144.5	-179.9	-61	177.6	-2	0	0	112.1	S470 L471 L472	Q468-S470 PolarHBondContact O-N 2.88Å; Q468-S470 VanDerWaalsContact O-N 3.1Å; Q468-L471 WeakPolarHBondContact O-CB 3.32Å; Q468-L471 PolarHBondContact O-N 2.91Å; Q468-L472 PolarHBondContact O-N 3.19Å
469	D	78.2	Confident	81.4	Confident	78 Å²	78	35.8 Å²	35.8	42%	0.417	19%	0.192	S	C	.	.	H	α-helix	trans	-54.6	-31.9	176	-64.5	-38.5	0	0	0	113.8	M462 L471 L472 S473	M462-D469 WeakPolarHBondContact CE-OD1 3.24Å; D469-L471 PolarHBondContact O-N 2.81Å; D469-L472 PolarHBondContact O-N 3.37Å; D469-S473 VanDerWaalsContact O-CB 3.26Å; D469-S473 WeakPolarHBondContact O-CB 3.37Å; D469-S473 PolarHBondContact O-N 2.84Å
470	S	82.9	Confident	81.9	Confident	54 Å²	54	33 Å²	33	38%	0.378	18%	0.182	S	C	.	.	H	α-helix	trans	-59.4	-28.4	177.2	79.2	0	0	0	0	112.4	Q468 R474	Q468-S470 PolarHBondContact O-N 2.88Å; Q468-S470 VanDerWaalsContact O-N 3.1Å; S470-R474 WeakPolarHBondContact O-CG 3.2Å; S470-R474 PolarHBondContact O-NH1 2.83Å
471	L	83.9	Confident	82.6	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-91.9	-39.8	177.9	-178.3	50.2	0	0	0	111.8	F407 M422 M467 Q468 D469 S473 R474 F475	F407-L471 HydrophobicContact CE1-CD2 3.79Å; F407-L471 HydrophobicContact CE1-CG 4.35Å; F407-L471 HydrophobicContact CZ-CD1 4.2Å; F407-L471 HydrophobicContact CZ-CD2 3.9Å; F407-L471 HydrophobicContact CZ-CG 4.41Å; M422-L471 HydrophobicContact SD-CD1 4.22Å; M467-L471 HydrophobicContact CE-CD2 3.48Å; M467-L471 VanDerWaalsContact CE-CD2 3.48Å; Q468-L471 WeakPolarHBondContact O-CB 3.32Å; Q468-L471 PolarHBondContact O-N 2.91Å; D469-L471 PolarHBondContact O-N 2.81Å; L471-S473 VanDerWaalsContact C-N 3.26Å; L471-S473 PolarHBondContact O-N 3.23Å; L471-R474 WeakPolarHBondContact O-CA 3.33Å; L471-R474 WeakPolarHBondContact O-CB 3.35Å; L471-R474 PolarHBondContact O-N 2.95Å; L471-F475 HydrophobicContact CD1-CD2 4.37Å; L471-F475 HydrophobicContact CD1-CE2 3.75Å; L471-F475 HydrophobicContact CG-CE2 4.05Å; L471-F475 WeakPolarHBondContact O-CD2 3.47Å; L471-F475 PolarHBondContact O-N 3.28Å
472	L	82.7	Confident	83.2	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-40.1	175.2	-60.4	176.9	0	0	0	111.5	L338 M462 L465 M467 Q468 D469 R474 F475 I478	L338-L472 HydrophobicContact CD2-CD2 4.39Å; M462-L472 HydrophobicContact CG-CD1 4.32Å; L465-L472 HydrophobicContact CD2-CD2 3.62Å; M467-L472 HydrophobicContact CB-CD2 4.38Å; Q468-L472 PolarHBondContact O-N 3.19Å; D469-L472 PolarHBondContact O-N 3.37Å; L472-R474 PolarHBondContact O-N 3.49Å; L472-F475 PolarHBondContact O-N 2.87Å; L472-I478 HydrophobicContact CB-CD1 4.17Å; L472-I478 HydrophobicContact CD2-CD1 3.75Å
473	S	84.7	Confident	83.7	Confident	23 Å²	23	33.1 Å²	33.1	16%	0.161	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.9	172.3	-172.8	0	0	0	0	113.4	D469 L471 R611	D469-S473 VanDerWaalsContact O-CB 3.26Å; D469-S473 WeakPolarHBondContact O-CB 3.37Å; D469-S473 PolarHBondContact O-N 2.84Å; L471-S473 VanDerWaalsContact C-N 3.26Å; L471-S473 PolarHBondContact O-N 3.23Å; S473-R611 WeakPolarHBondContact O-CD 3.45Å; S473-R611 PolarHBondContact O-NE 3.23Å; S473-R611 VanDerWaalsContact O-NE 3.12Å
474	R	87.8	Confident	83.7	Confident	46 Å²	46	31.7 Å²	31.7	17%	0.174	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.9	179	-71.6	-179.4	177.2	100.7	-5.9	114.6	N336 H419 M422 E423 S470 L471 L472	N336-R474 PolarHBondContact ND2-O 3.17Å; H419-R474 VanDerWaalsContact CG-NH1 3.32Å; H419-R474 PolarHBondContact ND1-NH1 2.78Å; H419-R474 PolarHBondContact O-NE 3.14Å; M422-R474 HydrophobicContact CE-CB 3.93Å; E423-R474 IonicContact OE2-NE 2.91Å; S470-R474 WeakPolarHBondContact O-CG 3.2Å; S470-R474 PolarHBondContact O-NH1 2.83Å; L471-R474 WeakPolarHBondContact O-CA 3.33Å; L471-R474 WeakPolarHBondContact O-CB 3.35Å; L471-R474 PolarHBondContact O-N 2.95Å; L472-R474 PolarHBondContact O-N 3.49Å
475	F	89.2	Confident	83.7	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.205	C	C	.	.			trans	-85.2	132	167.6	-71.1	-78.3	0	0	0	108.8	N336 L338 F407 M422 V444 A446 L471 L472 I478 M606	N336-F475 HydrophobicContact CB-CD1 3.88Å; N336-F475 HydrophobicContact CB-CE1 4.45Å; L338-F475 HydrophobicContact CB-CB 4.36Å; L338-F475 HydrophobicContact CB-CD1 3.76Å; L338-F475 HydrophobicContact CB-CD2 4.27Å; L338-F475 HydrophobicContact CB-CE1 4.08Å; L338-F475 HydrophobicContact CB-CG 3.87Å; L338-F475 HydrophobicContact CB-CZ 4.46Å; L338-F475 HydrophobicContact CD1-CZ 4.35Å; L338-F475 HydrophobicContact CD2-CD2 4.21Å; L338-F475 HydrophobicContact CD2-CE2 4.35Å; F407-F475 AromaticContact CE1-CE2 3.89Å; F407-F475 HydrophobicContact CE1-CE2 3.89Å; F407-F475 AromaticContact CE1-CZ 3.96Å; F407-F475 HydrophobicContact CE1-CZ 3.96Å; F407-F475 HydrophobicContact CE2-CZ 4.32Å; F407-F475 AromaticContact CZ-CE2 3.95Å; F407-F475 HydrophobicContact CZ-CE2 3.95Å; F407-F475 AromaticContact CZ-CZ 3.76Å; F407-F475 HydrophobicContact CZ-CZ 3.76Å; M422-F475 HydrophobicContact CE-CD1 3.87Å; M422-F475 HydrophobicContact CE-CD2 4.13Å; M422-F475 HydrophobicContact CE-CE1 3.64Å; M422-F475 HydrophobicContact CE-CE2 3.91Å; M422-F475 HydrophobicContact CE-CG 4.11Å; M422-F475 HydrophobicContact CE-CZ 3.66Å; M422-F475 HydrophobicContact SD-CZ 4.4Å; V444-F475 HydrophobicContact CG1-CE1 4.28Å; A446-F475 HydrophobicContact CB-CE1 3.97Å; A446-F475 HydrophobicContact CB-CZ 3.97Å; L471-F475 HydrophobicContact CD1-CD2 4.37Å; L471-F475 HydrophobicContact CD1-CE2 3.75Å; L471-F475 HydrophobicContact CG-CE2 4.05Å; L471-F475 WeakPolarHBondContact O-CD2 3.47Å; L471-F475 PolarHBondContact O-N 3.28Å; L472-F475 PolarHBondContact O-N 2.87Å; F475-I478 HydrophobicContact CB-CD1 4.44Å; F475-I478 HydrophobicContact CB-CG1 4.07Å; F475-M606 WeakPolarHBondContact O-CE 3.24Å
476	D	89	Confident	84	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-84.6	-29.4	-177.8	-69.5	17.7	0	0	0	109.7	R332 I335 N336 R611 T615 R618	R332-D476 IonicContact CZ-OD1 2.63Å; R332-D476 IonicContact NH1-OD1 3.49Å; R332-D476 VanDerWaalsContact NH2-CG 3.28Å; R332-D476 IonicContact NH2-OD1 3.07Å; R332-D476 PolarHBondContact NH2-OD1 3.45Å; R332-D476 IonicContact NH2-OD2 3.22Å; R332-D476 PolarHBondContact NH2-OD2 3.32Å; R332-D476 VanDerWaalsContact NH2-OD2 3.12Å; I335-D476 HydrophobicContact CG2-CB 4.18Å; N336-D476 PolarHBondContact O-N 2.83Å; D476-R611 IonicContact OD1-NE 2.69Å; D476-T615 HydrophobicContact CB-CG2 3.89Å; D476-T615 WeakPolarHBondContact O-CG2 3.4Å; D476-R618 IonicContact OD1-NH1 2.58Å; D476-R618 PolarHBondContact OD1-NH1 3.19Å; D476-R618 VanDerWaalsContact OD2-CD 3.26Å; D476-R618 WeakPolarHBondContact OD2-CD 3.4Å; D476-R618 IonicContact OD2-CZ 3.66Å; D476-R618 IonicContact OD2-NE 3.07Å; D476-R618 IonicContact OD2-NH1 3.93Å; D476-R618 PolarHBondContact OD2-NH1 3.44Å
477	L	89.6	Confident	84.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.7	173	-67.8	173.4	0	0	0	110.9	A312 N336 V337 L338 F479 L619 M643 L644 A647	A312-L477 HydrophobicContact CB-CD1 3.64Å; N336-L477 PolarHBondContact O-N 3.1Å; N336-L477 VanDerWaalsContact O-N 3.1Å; V337-L477 WeakPolarHBondContact CA-O 3.24Å; V337-L477 HydrophobicContact CG2-CB 4.3Å; V337-L477 HydrophobicContact CG2-CD1 4.45Å; L338-L477 PolarHBondContact N-O 3.01Å; L477-F479 HydrophobicContact CB-CE2 3.89Å; L477-F479 HydrophobicContact CB-CZ 4.32Å; L477-F479 HydrophobicContact CD1-CE2 4.13Å; L477-F479 HydrophobicContact CD1-CZ 4.13Å; L477-L619 HydrophobicContact CD1-CD1 4.48Å; L477-L619 HydrophobicContact CD1-CD2 3.99Å; L477-L619 HydrophobicContact CD2-CD1 4.15Å; L477-M643 HydrophobicContact CD1-CG 4.37Å; L477-M643 HydrophobicContact CD1-SD 3.9Å; L477-M643 HydrophobicContact CD2-CG 4.49Å; L477-L644 HydrophobicContact CD2-CD1 4.03Å; L477-A647 HydrophobicContact CD2-CB 4.04Å
478	I	89.6	Confident	84.9	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.2	171	-54.3	-172.5	0	0	0	108.2	L338 V340 L472 F475 M606	L338-I478 HydrophobicContact CB-CG1 4.26Å; L338-I478 HydrophobicContact CB-CG2 4.46Å; L338-I478 HydrophobicContact CD2-CD1 4.26Å; L338-I478 HydrophobicContact CD2-CG1 4.42Å; L338-I478 HydrophobicContact CD2-CG2 4.25Å; L338-I478 WeakPolarHBondContact O-CA 3.47Å; V340-I478 HydrophobicContact CG2-CG2 4.03Å; L472-I478 HydrophobicContact CB-CD1 4.17Å; L472-I478 HydrophobicContact CD2-CD1 3.75Å; F475-I478 HydrophobicContact CB-CD1 4.44Å; F475-I478 HydrophobicContact CB-CG1 4.07Å; I478-M606 HydrophobicContact CB-CG 4.15Å; I478-M606 HydrophobicContact CB-SD 4.05Å; I478-M606 HydrophobicContact CD1-CE 4.47Å; I478-M606 HydrophobicContact CD1-CG 3.73Å; I478-M606 HydrophobicContact CD1-SD 4.25Å; I478-M606 HydrophobicContact CG1-CE 4.23Å; I478-M606 HydrophobicContact CG1-CG 3.91Å; I478-M606 HydrophobicContact CG1-SD 3.8Å
479	F	88.9	Confident	84.9	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.4	173.7	-65.5	-74.7	0	0	0	109.8	V309 A312 V337 L338 L339 V340 L477 L481 Y646 A647	V309-F479 HydrophobicContact CG1-CD2 4.46Å; V309-F479 HydrophobicContact CG2-CB 4.41Å; V309-F479 HydrophobicContact CG2-CD1 4.28Å; V309-F479 HydrophobicContact CG2-CG 4.17Å; A312-F479 HydrophobicContact CB-CE2 3.38Å; A312-F479 HydrophobicContact CB-CZ 3.49Å; A312-F479 VanDerWaalsContact CB-CZ 3.49Å; V337-F479 HydrophobicContact CG1-CD2 3.92Å; V337-F479 HydrophobicContact CG1-CE2 4.05Å; L338-F479 PolarHBondContact O-N 3.09Å; L339-F479 HydrophobicContact CD2-CB 4.15Å; L339-F479 HydrophobicContact CD2-CD2 4.03Å; V340-F479 PolarHBondContact N-O 2.84Å; V340-F479 VanDerWaalsContact O-O 3.13Å; L477-F479 HydrophobicContact CB-CE2 3.89Å; L477-F479 HydrophobicContact CB-CZ 4.32Å; L477-F479 HydrophobicContact CD1-CE2 4.13Å; L477-F479 HydrophobicContact CD1-CZ 4.13Å; F479-L481 HydrophobicContact CB-CD2 4.32Å; F479-Y646 HydrophobicContact CD1-CD1 4.45Å; F479-Y646 HydrophobicContact CD1-CE1 4.31Å; F479-Y646 HydrophobicContact CE1-CD1 4.09Å; F479-Y646 HydrophobicContact CE1-CE1 4.3Å; F479-A647 HydrophobicContact CE1-CB 4.23Å
480	V	86.1	Confident	85.3	Confident	27 Å²	27	48.4 Å²	48.4	16%	0.164	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	169.4	-178.9	0	0	0	0	108.1	V340 Y455 M482 T605	V340-V480 HydrophobicContact CB-CG2 4.46Å; Y455-V480 HydrophobicContact CD1-CG1 4.25Å; Y455-V480 HydrophobicContact CD2-CG1 3.68Å; Y455-V480 HydrophobicContact CE1-CG1 4.2Å; Y455-V480 HydrophobicContact CE2-CG1 3.59Å; Y455-V480 HydrophobicContact CE2-CG2 4.29Å; Y455-V480 HydrophobicContact CG-CG1 4.02Å; V480-M482 HydrophobicContact CG1-CG 4.18Å; V480-T605 HydrophobicContact CG2-CG2 4.25Å
481	L	86.4	Confident	85.5	Confident	8 Å²	8	47.8 Å²	47.8	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.8	-178.2	-54.1	178.5	0	0	0	109	V309 V340 G341 D342 V345 K347 F479	V309-L481 HydrophobicContact CG2-CD2 3.75Å; V340-L481 WeakPolarHBondContact O-CB 3.49Å; V340-L481 PolarHBondContact O-N 3.02Å; G341-L481 CarbonylContact C-O 3.6Å; G341-L481 WeakPolarHBondContact CA-O 3.45Å; D342-L481 PolarHBondContact N-O 2.82Å; V345-L481 HydrophobicContact CB-CB 4.48Å; V345-L481 HydrophobicContact CG1-CB 3.96Å; K347-L481 HydrophobicContact CD-CD1 4.22Å; K347-L481 HydrophobicContact CG-CD1 3.8Å; F479-L481 HydrophobicContact CB-CD2 4.32Å
482	M	83.1	Confident	85.5	Confident	42 Å²	42	52.6 Å²	52.6	21%	0.207	27%	0.273	C	S	.	.			trans	-101.3	148.3	179.7	-54	-172.4	-50.1	0	0	110.8	Y455 V480 E484 K650	Y455-M482 HydrophobicContact CD1-CG 4.43Å; Y455-M482 HydrophobicContact CD1-SD 4.16Å; V480-M482 HydrophobicContact CG1-CG 4.18Å; M482-E484 VanDerWaalsContact C-N 3.33Å; M482-E484 HydrophobicContact CE-CG 4Å; M482-E484 WeakPolarHBondContact CE-OE1 3.02Å; M482-E484 PolarHBondContact O-N 2.65Å; M482-E484 VanDerWaalsContact O-N 3.12Å; M482-K650 WeakPolarHBondContact SD-CE 3.39Å; M482-K650 PolarHBondContact SD-NZ 2.85Å
483	D	83.1	Confident	85.6	Confident	72 Å²	72	56 Å²	56	39%	0.385	29%	0.29	S	S	.	.			trans	-82.6	74.6	171	-160.8	26.2	0	0	0	110.6	D342 V345 H485	D342-D483 HydrophobicContact CB-CB 4.33Å; D342-D483 PolarHBondContact OD2-N 2.76Å; V345-D483 HydrophobicContact CG2-CB 4.36Å; D483-H485 PolarHBondContact O-CE1 2.68Å; D483-H485 PolarHBondContact O-N 3Å; D483-H485 PolarHBondContact O-ND1 3.03Å; D483-H485 IonicContact OD2-CE1 3.95Å
484	E	80.4	Confident	85.7	Confident	94 Å²	94	57.1 Å²	57.1	44%	0.439	30%	0.301	S	S	.	.			trans	-71	112.3	174.3	-73.8	-176.1	-172.2	0	0	110.3	M482 D486 R489	M482-E484 VanDerWaalsContact C-N 3.33Å; M482-E484 HydrophobicContact CE-CG 4Å; M482-E484 WeakPolarHBondContact CE-OE1 3.02Å; M482-E484 PolarHBondContact O-N 2.65Å; M482-E484 VanDerWaalsContact O-N 3.12Å; E484-D486 VanDerWaalsContact C-N 3.32Å; E484-D486 PolarHBondContact O-N 3.32Å; E484-R489 IonicContact OE2-CZ 2.82Å; E484-R489 IonicContact OE2-NH1 3.4Å; E484-R489 PolarHBondContact OE2-NH1 2.84Å; E484-R489 IonicContact OE2-NH2 3.22Å; E484-R489 PolarHBondContact OE2-NH2 2.75Å
485	H	79.3	Confident	85.5	Confident	142 Å²	142	57.5 Å²	57.5	66%	0.657	31%	0.31	S	S	*	.			trans	-74.2	79.2	-177.1	-61.4	38.6	0	0	0	110.9	D483	D483-H485 PolarHBondContact O-CE1 2.68Å; D483-H485 PolarHBondContact O-N 3Å; D483-H485 PolarHBondContact O-ND1 3.03Å; D483-H485 IonicContact OD2-CE1 3.95Å
486	D	84.9	Confident	85.1	Confident	53 Å²	53	57.7 Å²	57.7	28%	0.283	31%	0.311	S	S	.	.			trans	-115.5	109.9	-174.9	-175.7	-6.4	0	0	0	110.7	E484 E488 R489 D490	E484-D486 VanDerWaalsContact C-N 3.32Å; E484-D486 PolarHBondContact O-N 3.32Å; D486-E488 PolarHBondContact O-N 2.85Å; D486-E488 PolarHBondContact OD1-N 2.75Å; D486-R489 HydrophobicContact CB-CB 4.31Å; D486-R489 HydrophobicContact CB-CG 4.12Å; D486-R489 PolarHBondContact O-N 3.38Å; D486-R489 IonicContact OD2-CZ 3.77Å; D486-R489 VanDerWaalsContact OD2-CZ 3.22Å; D486-R489 IonicContact OD2-NE 3.71Å; D486-R489 PolarHBondContact OD2-NE 3.42Å; D486-R489 IonicContact OD2-NH2 3.14Å; D486-R489 PolarHBondContact OD2-NH2 2.79Å; D486-D490 PolarHBondContact O-N 2.82Å
487	S	86.7	Confident	84.7	Confident	104 Å²	104	60.7 Å²	60.7	73%	0.727	33%	0.33	S	S	*	.	H	α-helix	trans	-57.8	-26	-172.2	-174.4	0	0	0	0	114.4	G491	S487-G491 PolarHBondContact O-N 2.91Å
488	E	87.3	Confident	84.4	Confident	150 Å²	150	65.5 Å²	65.5	70%	0.701	35%	0.354	S	S	*	.	H	α-helix	trans	-74.8	-41.4	175.9	-67.4	-169.4	-179.8	0	0	111.5	D486 Q492	D486-E488 PolarHBondContact O-N 2.85Å; D486-E488 PolarHBondContact OD1-N 2.75Å; E488-Q492 WeakPolarHBondContact O-CG 3.44Å; E488-Q492 PolarHBondContact O-N 2.81Å
489	R	79.8	Confident	84	Confident	111 Å²	111	67.8 Å²	67.8	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-71.1	-42.6	178	-59.1	-176.1	-139.7	165.8	12.9	110.9	E484 D486 G491 Q492 I493	E484-R489 IonicContact OE2-CZ 2.82Å; E484-R489 IonicContact OE2-NH1 3.4Å; E484-R489 PolarHBondContact OE2-NH1 2.84Å; E484-R489 IonicContact OE2-NH2 3.22Å; E484-R489 PolarHBondContact OE2-NH2 2.75Å; D486-R489 HydrophobicContact CB-CB 4.31Å; D486-R489 HydrophobicContact CB-CG 4.12Å; D486-R489 PolarHBondContact O-N 3.38Å; D486-R489 IonicContact OD2-CZ 3.77Å; D486-R489 VanDerWaalsContact OD2-CZ 3.22Å; D486-R489 IonicContact OD2-NE 3.71Å; D486-R489 PolarHBondContact OD2-NE 3.42Å; D486-R489 IonicContact OD2-NH2 3.14Å; D486-R489 PolarHBondContact OD2-NH2 2.79Å; R489-G491 VanDerWaalsContact C-N 3.27Å; R489-G491 PolarHBondContact O-N 3.34Å; R489-Q492 WeakPolarHBondContact O-CB 3.48Å; R489-Q492 PolarHBondContact O-N 3.28Å; R489-Q492 VanDerWaalsContact O-N 3.09Å; R489-I493 VanDerWaalsContact O-CG1 3.28Å; R489-I493 WeakPolarHBondContact O-CG1 3.44Å; R489-I493 PolarHBondContact O-N 2.9Å
490	D	85.3	Confident	83.3	Confident	69 Å²	69	69 Å²	69	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177	-67.5	-22.6	0	0	0	111.3	D486 I493 A494	D486-D490 PolarHBondContact O-N 2.82Å; D490-I493 PolarHBondContact O-N 3.12Å; D490-A494 WeakPolarHBondContact O-CB 3.5Å; D490-A494 PolarHBondContact O-N 2.9Å
491	G	87.5	Confident	82.6	Confident	41 Å²	41	73.7 Å²	73.7	42%	0.423	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-41.3	172.1	0	0	0	0	0	113.6	S487 R489 S495	S487-G491 PolarHBondContact O-N 2.91Å; R489-G491 VanDerWaalsContact C-N 3.27Å; R489-G491 PolarHBondContact O-N 3.34Å; G491-S495 WeakPolarHBondContact O-CB 3.38Å; G491-S495 PolarHBondContact O-N 2.9Å; G491-S495 PolarHBondContact O-OG 3.31Å; G491-S495 VanDerWaalsContact O-OG 3.07Å
492	Q	84.7	Confident	81.8	Confident	105 Å²	105	77.9 Å²	77.9	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-66.7	-43.3	174.2	-69.3	175.2	24.5	0	0	112.1	E488 R489 S495 H496	E488-Q492 WeakPolarHBondContact O-CG 3.44Å; E488-Q492 PolarHBondContact O-N 2.81Å; R489-Q492 WeakPolarHBondContact O-CB 3.48Å; R489-Q492 PolarHBondContact O-N 3.28Å; R489-Q492 VanDerWaalsContact O-N 3.09Å; Q492-S495 PolarHBondContact O-OG 2.73Å; Q492-H496 VanDerWaalsContact O-CB 3.29Å; Q492-H496 WeakPolarHBondContact O-CB 3.37Å; Q492-H496 PolarHBondContact O-N 3.22Å
493	I	85	Confident	80.8	Confident	77 Å²	77	82.3 Å²	82.3	40%	0.395	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-48.7	176.3	-67.3	160.5	0	0	0	109.8	C304 R489 D490 H496 V497	C304-I493 HydrophobicContact CB-CG1 3.94Å; R489-I493 VanDerWaalsContact O-CG1 3.28Å; R489-I493 WeakPolarHBondContact O-CG1 3.44Å; R489-I493 PolarHBondContact O-N 2.9Å; D490-I493 PolarHBondContact O-N 3.12Å; I493-H496 PolarHBondContact O-N 3.07Å; I493-V497 HydrophobicContact CG2-CG2 4.29Å; I493-V497 WeakPolarHBondContact O-CB 3.35Å; I493-V497 VanDerWaalsContact O-CG2 3.29Å; I493-V497 WeakPolarHBondContact O-CG2 3.4Å; I493-V497 PolarHBondContact O-N 2.97Å
494	A	85.3	Confident	79.8	Confident	47 Å²	47	82.2 Å²	82.2	39%	0.388	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-48.7	179.5	0	0	0	0	0	111.9	D490 H496 V497 I498	D490-A494 WeakPolarHBondContact O-CB 3.5Å; D490-A494 PolarHBondContact O-N 2.9Å; A494-H496 VanDerWaalsContact C-N 3.32Å; A494-H496 PolarHBondContact O-N 3.12Å; A494-V497 PolarHBondContact O-N 3.3Å; A494-I498 WeakPolarHBondContact O-CB 3.43Å; A494-I498 WeakPolarHBondContact O-CD1 3.36Å; A494-I498 WeakPolarHBondContact O-CG1 3.44Å; A494-I498 PolarHBondContact O-N 3.27Å
495	S	84.9	Confident	78.7	Confident	53 Å²	53	81 Å²	81	37%	0.371	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-40.7	177.2	61	0	0	0	0	112.3	G491 Q492 I498 N499	G491-S495 WeakPolarHBondContact O-CB 3.38Å; G491-S495 PolarHBondContact O-N 2.9Å; G491-S495 PolarHBondContact O-OG 3.31Å; G491-S495 VanDerWaalsContact O-OG 3.07Å; Q492-S495 PolarHBondContact O-OG 2.73Å; S495-I498 PolarHBondContact O-N 3.28Å; S495-N499 WeakPolarHBondContact O-CB 3.29Å; S495-N499 PolarHBondContact O-N 3.48Å; S495-N499 PolarHBondContact O-OD1 2.73Å
496	H	79.4	Confident	77.3	Confident	5 Å²	5	80.9 Å²	80.9	2%	0.023	45%	0.449	C	S	.	.	H	α-helix	trans	-66.8	-43.7	177.9	-175.1	54.3	0	0	0	112.8	P301 S302 C304 Q492 I493 A494 N499 L500	P301-H496 PolarHBondContact O-CE1 3.34Å; P301-H496 PolarHBondContact O-NE2 2.8Å; P301-H496 VanDerWaalsContact O-NE2 3.09Å; S302-H496 WeakPolarHBondContact CA-NE2 3.14Å; S302-H496 PolarHBondContact O-NE2 3.11Å; C304-H496 HydrophobicContact CB-CB 4.48Å; Q492-H496 VanDerWaalsContact O-CB 3.29Å; Q492-H496 WeakPolarHBondContact O-CB 3.37Å; Q492-H496 PolarHBondContact O-N 3.22Å; I493-H496 PolarHBondContact O-N 3.07Å; A494-H496 VanDerWaalsContact C-N 3.32Å; A494-H496 PolarHBondContact O-N 3.12Å; H496-N499 PolarHBondContact O-N 3.25Å; H496-L500 WeakPolarHBondContact O-CB 3.34Å; H496-L500 VanDerWaalsContact O-CG 3.28Å; H496-L500 WeakPolarHBondContact O-CG 3.48Å; H496-L500 PolarHBondContact O-N 3.31Å
497	V	82.2	Confident	75.9	Confident	64 Å²	64	82.1 Å²	82.1	39%	0.388	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-40.2	176.2	172.1	0	0	0	0	111.4	I493 A494 L500 H501	I493-V497 HydrophobicContact CG2-CG2 4.29Å; I493-V497 WeakPolarHBondContact O-CB 3.35Å; I493-V497 VanDerWaalsContact O-CG2 3.29Å; I493-V497 WeakPolarHBondContact O-CG2 3.4Å; I493-V497 PolarHBondContact O-N 2.97Å; A494-V497 PolarHBondContact O-N 3.3Å; V497-L500 PolarHBondContact O-N 3.17Å; V497-H501 PolarHBondContact O-CD2 3.23Å; V497-H501 PolarHBondContact O-N 3.17Å
498	I	83	Confident	74.5	Confident	101 Å²	101	80 Å²	80	52%	0.518	45%	0.454	S	S	.	.	H	α-helix	trans	-61.8	-49.6	174.4	-70	164.1	0	0	0	110.3	A494 S495 L500 H501 C502	A494-I498 WeakPolarHBondContact O-CB 3.43Å; A494-I498 WeakPolarHBondContact O-CD1 3.36Å; A494-I498 WeakPolarHBondContact O-CG1 3.44Å; A494-I498 PolarHBondContact O-N 3.27Å; S495-I498 PolarHBondContact O-N 3.28Å; I498-L500 VanDerWaalsContact C-N 3.34Å; I498-L500 PolarHBondContact O-N 2.88Å; I498-H501 PolarHBondContact O-N 3.36Å; I498-H501 VanDerWaalsContact O-N 3.08Å; I498-C502 PolarHBondContact O-N 2.68Å; I498-C502 PolarHBondContact O-SG 3.13Å; I498-C502 VanDerWaalsContact O-SG 3.33Å
499	N	79.6	Confident	72.8	Confident	53 Å²	53	77 Å²	77	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-56.4	-48.3	177.1	-72.3	-4.7	0	0	0	111.3	S495 H496 H501 C502 Y503	S495-N499 WeakPolarHBondContact O-CB 3.29Å; S495-N499 PolarHBondContact O-N 3.48Å; S495-N499 PolarHBondContact O-OD1 2.73Å; H496-N499 PolarHBondContact O-N 3.25Å; N499-H501 VanDerWaalsContact C-N 3.27Å; N499-H501 PolarHBondContact O-N 3.04Å; N499-C502 PolarHBondContact O-N 3.13Å; N499-Y503 VanDerWaalsContact O-CD2 3.3Å; N499-Y503 WeakPolarHBondContact O-CD2 3.36Å; N499-Y503 PolarHBondContact O-N 3.49Å
500	L	74.9	Confident	70.9	Confident	32 Å²	32	76.9 Å²	76.9	17%	0.168	47%	0.47	C	S	.	.	H	α-helix	trans	-55.5	-40.4	175.7	-76.7	165	0	0	0	112.7	S302 H496 V497 I498 R504 W548	S302-L500 VanDerWaalsContact O-CD1 3.32Å; S302-L500 WeakPolarHBondContact O-CD1 3.22Å; H496-L500 WeakPolarHBondContact O-CB 3.34Å; H496-L500 VanDerWaalsContact O-CG 3.28Å; H496-L500 WeakPolarHBondContact O-CG 3.48Å; H496-L500 PolarHBondContact O-N 3.31Å; V497-L500 PolarHBondContact O-N 3.17Å; I498-L500 VanDerWaalsContact C-N 3.34Å; I498-L500 PolarHBondContact O-N 2.88Å; L500-R504 WeakPolarHBondContact O-CG 3.25Å; L500-W548 HydrophobicContact CD2-CE3 3.6Å; L500-W548 HydrophobicContact CD2-CH2 4.47Å; L500-W548 HydrophobicContact CD2-CZ3 3.55Å; L500-W548 HydrophobicContact CG-CE3 4.39Å
501	H	72.4	Confident	68.9	Low	124 Å²	124	77.2 Å²	77.2	57%	0.574	49%	0.49	S	S	*	.	H	α-helix	trans	-72.2	-38.5	176.9	-90.6	-87.9	0	0	0	113.2	V497 I498 N499 Y503 R504	V497-H501 PolarHBondContact O-CD2 3.23Å; V497-H501 PolarHBondContact O-N 3.17Å; I498-H501 PolarHBondContact O-N 3.36Å; I498-H501 VanDerWaalsContact O-N 3.08Å; N499-H501 VanDerWaalsContact C-N 3.27Å; N499-H501 PolarHBondContact O-N 3.04Å; H501-Y503 VanDerWaalsContact C-N 3.34Å; H501-Y503 PolarHBondContact O-N 2.8Å; H501-R504 PolarHBondContact O-N 3.24Å
502	C	68.2	Low	66.7	Low	97 Å²	97	78.3 Å²	78.3	66%	0.655	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-32.2	178.6	-70.5	0	0	0	0	113.3	I498 N499	I498-C502 PolarHBondContact O-N 2.68Å; I498-C502 PolarHBondContact O-SG 3.13Å; I498-C502 VanDerWaalsContact O-SG 3.33Å; N499-C502 PolarHBondContact O-N 3.13Å
503	Y	63.7	Low	64.7	Low	135 Å²	135	75 Å²	75	53%	0.529	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.9	-179.4	-77.6	-74.7	0	0	0	114.7	N499 H501 S547 W548	N499-Y503 VanDerWaalsContact O-CD2 3.3Å; N499-Y503 WeakPolarHBondContact O-CD2 3.36Å; N499-Y503 PolarHBondContact O-N 3.49Å; H501-Y503 VanDerWaalsContact C-N 3.34Å; H501-Y503 PolarHBondContact O-N 2.8Å; Y503-S547 PolarHBondContact OH-OG 3Å; Y503-S547 VanDerWaalsContact OH-OG 3.08Å; Y503-W548 HydrophobicContact CD2-CB 3.41Å; Y503-W548 VanDerWaalsContact CD2-CB 3.41Å; Y503-W548 HydrophobicContact CE2-CB 3.83Å; Y503-W548 HydrophobicContact CG-CB 3.98Å
504	R	61.4	Low	62.7	Low	69 Å²	69	75.2 Å²	75.2	26%	0.26	48%	0.479	S	S	.	.	S	Bend	trans	-71.8	135.8	173	-55.9	-168.2	75.6	147.8	3.4	110.4	L500 H501 E508 C512	L500-R504 WeakPolarHBondContact O-CG 3.25Å; H501-R504 PolarHBondContact O-N 3.24Å; R504-E508 IonicContact CZ-OE2 3.77Å; R504-E508 VanDerWaalsContact CZ-OE2 3.32Å; R504-E508 IonicContact NE-OE2 2.73Å; R504-E508 PolarHBondContact NE-OE2 2.58Å; R504-E508 VanDerWaalsContact NE-OE2 3.08Å; R504-E508 IonicContact NH2-OE2 3.7Å; R504-E508 PolarHBondContact NH2-OE2 3.07Å; R504-C512 PolarHBondContact NH1-O 2.84Å; R504-C512 PolarHBondContact NH2-O 3.46Å
505	A	58	Low	60.5	Low	69 Å²	69	77.1 Å²	77.1	57%	0.57	49%	0.489	S	S	*	.			trans	-61.2	130.8	170.4	0	0	0	0	0	109.9	G507	A505-G507 PolarHBondContact O-N 3.43Å
506	P	49.5	Very low	58.2	Low	139 Å²	139	79.5 Å²	79.5	90%	0.903	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	105	179.4	26.1	-33.3	0	0	0	110
507	G	55.5	Low	56	Low	79 Å²	79	83.1 Å²	83.1	81%	0.814	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.6	-17.2	-178.6	0	0	0	0	0	115.4	A505	A505-G507 PolarHBondContact O-N 3.43Å
508	E	57.2	Low	53.4	Low	61 Å²	61	88.8 Å²	88.8	29%	0.285	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-68.5	138.4	173.4	-77	-166.8	141.8	0	0	112	R504	R504-E508 IonicContact CZ-OE2 3.77Å; R504-E508 VanDerWaalsContact CZ-OE2 3.32Å; R504-E508 IonicContact NE-OE2 2.73Å; R504-E508 PolarHBondContact NE-OE2 2.58Å; R504-E508 VanDerWaalsContact NE-OE2 3.08Å; R504-E508 IonicContact NH2-OE2 3.7Å; R504-E508 PolarHBondContact NH2-OE2 3.07Å
509	P	50.5	Low	51.1	Low	85 Å²	85	87.8 Å²	87.8	55%	0.552	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-67.6	137.3	174.5	28.1	-34	0	0	0	111.7	G511 C512	P509-G511 PolarHBondContact O-N 3.15Å; P509-C512 HydrophobicContact CG-CB 4.39Å; P509-C512 PolarHBondContact O-N 2.73Å
510	A	39.7	Very low	48.5	Very low	109 Å²	109	94.2 Å²	94.2	90%	0.901	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	126.1	178	0	0	0	0	0	111.1
511	G	44.5	Very low	46.5	Very low	77 Å²	77	99.3 Å²	99.3	79%	0.794	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.7	-12.9	-179.3	0	0	0	0	0	115.3	P509 T513	P509-G511 PolarHBondContact O-N 3.15Å; G511-T513 PolarHBondContact O-N 2.92Å
512	C	40.5	Very low	44.7	Very low	64 Å²	64	96.2 Å²	96.2	43%	0.432	59%	0.59	S	S	.	*			trans	-65.8	135.2	165.6	-87.5	0	0	0	0	110.2	R504 P509	R504-C512 PolarHBondContact NH1-O 2.84Å; R504-C512 PolarHBondContact NH2-O 3.46Å; P509-C512 HydrophobicContact CG-CB 4.39Å; P509-C512 PolarHBondContact O-N 2.73Å
513	T	43.4	Very low	43.6	Very low	36 Å²	36	98.6 Å²	98.6	22%	0.221	59%	0.586	C	S	.	*			trans	-63.3	147.4	154.2	59.8	0	0	0	0	108	R352 G511 S515	R352-T513 HydrophobicContact CB-CG2 4.46Å; G511-T513 PolarHBondContact O-N 2.92Å; T513-S515 PolarHBondContact O-N 2.81Å
514	L	43.5	Very low	42.3	Very low	80 Å²	80	93.6 Å²	93.6	42%	0.419	57%	0.569	S	S	.	*			trans	-41.1	119.8	171.6	-85.6	162.8	0	0	0	109.6	L516	L514-L516 PolarHBondContact O-N 3.06Å
515	S	37.8	Very low	41.8	Very low	88 Å²	88	90.6 Å²	90.6	62%	0.615	56%	0.559	S	S	*	*			trans	-76	63.1	-179.2	178.1	0	0	0	0	109.6	T513 S517	T513-S515 PolarHBondContact O-N 2.81Å; S515-S517 PolarHBondContact O-N 2.91Å
516	L	37.7	Very low	40.9	Very low	102 Å²	102	90 Å²	90	53%	0.534	55%	0.545	S	S	.	.			trans	-79.6	54.9	-174.4	-158.1	72.7	0	0	0	111	L514 T560	L514-L516 PolarHBondContact O-N 3.06Å; L516-T560 HydrophobicContact CD2-CG2 3.7Å
517	S	32.9	Very low	40.4	Very low	82 Å²	82	89 Å²	89	57%	0.573	53%	0.531	S	S	*	.			trans	-162.6	82.4	178.5	63.1	0	0	0	0	110.3	S515 P519	S515-S517 PolarHBondContact O-N 2.91Å; S517-P519 WeakPolarHBondContact O-CD 3.18Å
518	Q	27	Very low	39.5	Very low	183 Å²	183	89.3 Å²	89.3	86%	0.855	51%	0.514	S	S	*	.			trans	-85.6	96.6	132.8	-79.9	-169.2	-2.9	0	0	106.6	F520	Q518-F520 VanDerWaalsContact C-N 3.34Å; Q518-F520 PolarHBondContact O-N 2.91Å; Q518-F520 VanDerWaalsContact O-N 3.15Å
519	P	34.7	Very low	38.3	Very low	79 Å²	79	95.3 Å²	95.3	51%	0.513	54%	0.542	S	S	.	.			trans	-72	103.7	152.5	30.4	-24.3	0	0	0	105.5	S517 H521	S517-P519 WeakPolarHBondContact O-CD 3.18Å; P519-H521 HydrophobicContact CB-CB 4.46Å; P519-H521 VanDerWaalsContact CB-CD2 3.49Å; P519-H521 WeakPolarHBondContact CB-CD2 3.43Å; P519-H521 PolarHBondContact O-N 2.84Å
520	F	24.6	Very low	37.2	Very low	189 Å²	189	95.6 Å²	95.6	83%	0.829	54%	0.542	S	S	*	.			trans	-70.1	62.9	155.8	-155.1	-90.8	0	0	0	107.2	Q518 A522	Q518-F520 VanDerWaalsContact C-N 3.34Å; Q518-F520 PolarHBondContact O-N 2.91Å; Q518-F520 VanDerWaalsContact O-N 3.15Å; F520-A522 VanDerWaalsContact C-N 3.34Å; F520-A522 PolarHBondContact O-N 3.41Å
521	H	34.4	Very low	36.7	Very low	139 Å²	139	96 Å²	96	64%	0.644	53%	0.529	S	S	*	.			trans	-67.6	100.8	171.6	-85.2	-34.9	0	0	0	106	P519 Y523	P519-H521 HydrophobicContact CB-CB 4.46Å; P519-H521 VanDerWaalsContact CB-CD2 3.49Å; P519-H521 WeakPolarHBondContact CB-CD2 3.43Å; P519-H521 PolarHBondContact O-N 2.84Å; H521-Y523 PolarHBondContact O-N 2.92Å
522	A	34.8	Very low	36	Very low	59 Å²	59	99.6 Å²	99.6	49%	0.488	53%	0.525	S	S	.	.			trans	-43.9	128.1	172	0	0	0	0	0	109	F520 T524	F520-A522 VanDerWaalsContact C-N 3.34Å; F520-A522 PolarHBondContact O-N 3.41Å; A522-T524 HydrophobicContact CB-CG2 4.38Å; A522-T524 PolarHBondContact O-N 2.86Å
523	Y	43.8	Very low	35.6	Very low	146 Å²	146	101.6 Å²	101.6	57%	0.573	54%	0.54	S	S	*	.	S	Bend	trans	-73.2	35.1	-177.1	-64.8	-83.2	0	0	0	112.5	S102 H107 H521	S102-Y523 PolarHBondContact OG-O 3.43Å; H107-Y523 HydrophobicContact CB-CD1 3.89Å; H107-Y523 AromaticContact CD2-CD1 3.8Å; H521-Y523 PolarHBondContact O-N 2.92Å
524	T	36.9	Very low	34.8	Very low	30 Å²	30	107.3 Å²	107.3	18%	0.184	56%	0.564	C	S	.	*			trans	-108.3	130	-175.4	61.8	0	0	0	0	109	A522 E526 I528	A522-T524 HydrophobicContact CB-CG2 4.38Å; A522-T524 PolarHBondContact O-N 2.86Å; T524-E526 VanDerWaalsContact C-N 3.26Å; T524-E526 WeakPolarHBondContact CB-O 3.33Å; T524-E526 PolarHBondContact O-N 2.86Å; T524-E526 PolarHBondContact OG1-O 2.71Å; T524-I528 HydrophobicContact CG2-CD1 4.45Å
525	T	51	Low	34.1	Very low	7 Å²	7	110.5 Å²	110.5	4%	0.043	58%	0.577	C	S	.	*	S	Bend	trans	-74.5	-23.8	-179.1	-56.5	0	0	0	0	112.1	E100 G101 R233	E100-T525 HydrophobicContact CG-CG2 3.96Å; G101-T525 VanDerWaalsContact O-CB 3.27Å; G101-T525 WeakPolarHBondContact O-CB 3.24Å; G101-T525 PolarHBondContact O-OG1 2.86Å; R233-T525 PolarHBondContact NH1-O 3.49Å
526	E	39.7	Very low	33.6	Very low	57 Å²	57	113.1 Å²	113.1	27%	0.266	59%	0.589	S	S	.	*	S	Bend	trans	-112.1	148.3	169.3	-62.2	170.9	129.2	0	0	109.3	N47 N49 E100 T524 I528	N47-E526 PolarHBondContact ND2-OE1 2.93Å; N47-E526 PolarHBondContact ND2-OE2 3.24Å; N49-E526 PolarHBondContact ND2-OE2 2.78Å; E100-E526 HydrophobicContact CG-CG 4.16Å; T524-E526 VanDerWaalsContact C-N 3.26Å; T524-E526 WeakPolarHBondContact CB-O 3.33Å; T524-E526 PolarHBondContact O-N 2.86Å; T524-E526 PolarHBondContact OG1-O 2.71Å; E526-I528 PolarHBondContact O-N 2.95Å
527	N	38.7	Very low	33.2	Very low	116 Å²	116	115.2 Å²	115.2	62%	0.62	60%	0.596	S	S	*	*			trans	-72.8	108.3	164.5	-71.4	-29	0	0	0	107.7	E272 E529	E272-N527 PolarHBondContact OE2-ND2 3.41Å; N527-E529 PolarHBondContact O-N 2.66Å
528	I	36.2	Very low	33.1	Very low	87 Å²	87	119.9 Å²	119.9	45%	0.446	61%	0.609	S	S	.	*			trans	-71.1	118.3	170.3	-62.7	177.7	0	0	0	106.7	T524 E526 T530	T524-I528 HydrophobicContact CG2-CD1 4.45Å; E526-I528 PolarHBondContact O-N 2.95Å; I528-T530 VanDerWaalsContact CG2-OG1 3.3Å; I528-T530 WeakPolarHBondContact CG2-OG1 3.37Å; I528-T530 PolarHBondContact O-N 2.87Å
529	E	31.4	Very low	34	Very low	187 Å²	187	120 Å²	120	87%	0.874	60%	0.603	S	S	*	*	S	Bend	trans	-70.3	58.1	175.3	-63.3	-174.9	136.4	0	0	111.2	N527	N527-E529 PolarHBondContact O-N 2.66Å
530	T	28.1	Very low	34.8	Very low	91 Å²	91	118.6 Å²	118.6	56%	0.558	60%	0.595	S	S	*	*			trans	-146.9	52.8	-173.8	-41.7	0	0	0	0	112.5	I528	I528-T530 VanDerWaalsContact CG2-OG1 3.3Å; I528-T530 WeakPolarHBondContact CG2-OG1 3.37Å; I528-T530 PolarHBondContact O-N 2.87Å
531	D	29.8	Very low	36.4	Very low	116 Å²	116	111.8 Å²	111.8	62%	0.62	57%	0.567	S	S	*	*			trans	-101.5	37.1	153.6	-70.5	-36.6	0	0	0	111.1	S533 E534	D531-S533 PolarHBondContact O-N 3.29Å; D531-E534 PolarHBondContact O-N 3.28Å
532	Q	29.3	Very low	37.6	Very low	153 Å²	153	108.8 Å²	108.8	72%	0.715	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	37.5	163.3	-67.8	-176	-5.2	0	0	111.3
533	S	31.5	Very low	38.9	Very low	107 Å²	107	107.9 Å²	107.9	75%	0.748	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.2	-13.3	-174.4	-62.1	0	0	0	0	112.7	D531 E535	D531-S533 PolarHBondContact O-N 3.29Å; S533-E535 VanDerWaalsContact C-N 3.35Å
534	E	27.8	Very low	39.3	Very low	156 Å²	156	107.6 Å²	107.6	73%	0.729	54%	0.538	S	S	*	.			trans	-100.9	25.8	161.5	-63.8	-163.3	170.3	0	0	111.7	D531 T536	D531-E534 PolarHBondContact O-N 3.28Å; E534-T536 PolarHBondContact O-N 3.11Å
535	E	28.3	Very low	40.2	Very low	147 Å²	147	112.4 Å²	112.4	69%	0.687	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	123.6	159.1	-63.3	-174	172.6	0	0	108.5	S533	S533-E535 VanDerWaalsContact C-N 3.35Å
536	T	27.4	Very low	40.5	Very low	142 Å²	142	113.8 Å²	113.8	87%	0.871	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.5	27.5	175.5	-20.4	0	0	0	0	119.3	E534	E534-T536 PolarHBondContact O-N 3.11Å
537	E	29.2	Very low	41.1	Very low	147 Å²	147	114.6 Å²	114.6	69%	0.687	58%	0.583	S	S	*	*	S	Bend	trans	-103.7	111.8	137.2	-80.2	-144.2	-150.6	0	0	109.2	Y539 K544	E537-Y539 PolarHBondContact O-N 3.02Å; E537-K544 IonicContact OE2-NZ 2.7Å; E537-K544 PolarHBondContact OE2-NZ 3.1Å
538	E	31.4	Very low	42.2	Very low	180 Å²	180	110.6 Å²	110.6	84%	0.841	56%	0.559	S	S	*	*			trans	-54	117.5	174.9	-69.3	-173.7	147.2	0	0	109.3	S540	E538-S540 VanDerWaalsContact C-N 3.27Å; E538-S540 PolarHBondContact O-N 2.87Å
539	Y	45.4	Very low	43.3	Very low	185 Å²	185	107 Å²	107	73%	0.725	54%	0.54	S	S	*	.			trans	-55.4	90.6	172.6	-78.1	-85	0	0	0	109.7	E537 I541	E537-Y539 PolarHBondContact O-N 3.02Å; Y539-I541 VanDerWaalsContact C-N 3.33Å; Y539-I541 PolarHBondContact O-N 3.48Å
540	S	50.8	Low	44.3	Very low	49 Å²	49	100.6 Å²	100.6	34%	0.343	52%	0.515	S	S	.	.			trans	-73.2	92.6	-175.7	62.5	0	0	0	0	108.4	E538 Y542 K544 T559	E538-S540 VanDerWaalsContact C-N 3.27Å; E538-S540 PolarHBondContact O-N 2.87Å; S540-Y542 CarbonylContact C-O 3.57Å; S540-Y542 WeakPolarHBondContact CB-O 3.28Å; S540-Y542 PolarHBondContact O-N 3.41Å; S540-Y542 VanDerWaalsContact O-O 3.14Å; S540-Y542 PolarHBondContact OG-O 3Å; S540-K544 WeakPolarHBondContact OG-CE 3.09Å; S540-T559 WeakPolarHBondContact O-CG2 3.24Å
541	I	58.8	Low	45.4	Very low	47 Å²	47	101.7 Å²	101.7	24%	0.241	51%	0.514	C	S	.	.	S	Bend	trans	-47.3	-30.2	173.9	-62.5	166.9	0	0	0	111	Y539 L558 T559 F562	Y539-I541 VanDerWaalsContact C-N 3.33Å; Y539-I541 PolarHBondContact O-N 3.48Å; I541-L558 HydrophobicContact CG2-CD2 3.68Å; I541-L558 WeakPolarHBondContact O-CA 3.3Å; I541-T559 PolarHBondContact O-N 3.15Å; I541-F562 HydrophobicContact CG2-CD1 4.25Å; I541-F562 HydrophobicContact CG2-CD2 4.39Å; I541-F562 HydrophobicContact CG2-CE1 4.1Å; I541-F562 HydrophobicContact CG2-CE2 4.25Å; I541-F562 HydrophobicContact CG2-CG 4.38Å; I541-F562 HydrophobicContact CG2-CZ 4.09Å
542	Y	60.3	Low	46.1	Very low	75 Å²	75	99.2 Å²	99.2	29%	0.294	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-103.6	140.3	177.5	-52.6	-68	0	0	0	111.4	S540 K544 K556 I557 L558	S540-Y542 CarbonylContact C-O 3.57Å; S540-Y542 WeakPolarHBondContact CB-O 3.28Å; S540-Y542 PolarHBondContact O-N 3.41Å; S540-Y542 VanDerWaalsContact O-O 3.14Å; S540-Y542 PolarHBondContact OG-O 3Å; Y542-K544 PolarHBondContact O-N 2.75Å; Y542-K556 HydrophobicContact CD1-CB 3.56Å; Y542-K556 HydrophobicContact CD1-CD 4.1Å; Y542-K556 HydrophobicContact CD1-CG 4.13Å; Y542-K556 HydrophobicContact CD2-CD 4.13Å; Y542-K556 HydrophobicContact CE1-CB 3.7Å; Y542-K556 HydrophobicContact CE1-CD 3.86Å; Y542-K556 HydrophobicContact CE1-CG 4.28Å; Y542-K556 HydrophobicContact CE2-CD 3.93Å; Y542-K556 HydrophobicContact CG-CB 4.2Å; Y542-K556 HydrophobicContact CG-CD 4.2Å; Y542-K556 HydrophobicContact CG-CG 4.32Å; Y542-I557 WeakPolarHBondContact CA-O 3.4Å; Y542-L558 HydrophobicContact CD1-CD2 4.09Å; Y542-L558 HydrophobicContact CE1-CD2 3.79Å
543	E	60.4	Low	46.6	Very low	40 Å²	40	101 Å²	101	19%	0.187	52%	0.523	C	S	.	.			trans	-59.1	127.9	173.8	-66.7	-175.2	150.5	0	0	110.2	N545 I557 T559	E543-N545 PolarHBondContact O-N 2.83Å; E543-I557 PolarHBondContact N-O 3.47Å; E543-I557 VanDerWaalsContact N-O 3.09Å; E543-T559 HydrophobicContact CG-CG2 3.98Å
544	K	53.3	Low	47.5	Very low	141 Å²	141	98.9 Å²	98.9	61%	0.613	52%	0.519	S	S	*	.	S	Bend	trans	-63.6	-22.9	-178.7	-63.2	178.1	-177.1	172.3	0	112.3	E537 S540 Y542	E537-K544 IonicContact OE2-NZ 2.7Å; E537-K544 PolarHBondContact OE2-NZ 3.1Å; S540-K544 WeakPolarHBondContact OG-CE 3.09Å; Y542-K544 PolarHBondContact O-N 2.75Å
545	N	55.1	Low	48.9	Very low	130 Å²	130	94.2 Å²	94.2	70%	0.695	50%	0.497	S	S	*	.			trans	-110.9	85.7	-178.1	-75.2	-8.7	0	0	0	112.8	E543 W548	E543-N545 PolarHBondContact O-N 2.83Å; N545-W548 PolarHBondContact O-NE1 2.59Å
546	T	57.5	Low	50.5	Low	36 Å²	36	92.7 Å²	92.7	22%	0.221	49%	0.488	C	S	.	.			trans	-96.7	-0.5	177.1	51.1	0	0	0	0	114.5	W548 L549 E555 I557	T546-W548 PolarHBondContact O-N 2.86Å; T546-L549 HydrophobicContact CG2-CD1 4.43Å; T546-L549 WeakPolarHBondContact O-CB 3.18Å; T546-L549 WeakPolarHBondContact O-CG 3.25Å; T546-L549 PolarHBondContact O-N 2.86Å; T546-L549 VanDerWaalsContact O-N 3.16Å; T546-E555 WeakPolarHBondContact CG2-O 3.46Å; T546-I557 HydrophobicContact CG2-CG1 4.41Å
547	S	53.3	Low	52.2	Low	74 Å²	74	86 Å²	86	52%	0.517	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.9	-168.5	-160.6	0	0	0	0	116.2	Y503	Y503-S547 PolarHBondContact OH-OG 3Å; Y503-S547 VanDerWaalsContact OH-OG 3.08Å
548	W	60.4	Low	54.2	Low	33 Å²	33	79.1 Å²	79.1	13%	0.125	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.7	-179.3	55.3	-85.9	0	0	0	114	P301 L500 Y503 N545 T546 I557	P301-W548 HydrophobicContact CB-CH2 3.61Å; P301-W548 HydrophobicContact CB-CZ3 4.17Å; P301-W548 HydrophobicContact CG-CH2 3.75Å; P301-W548 WeakPolarHBondContact O-CZ3 3.09Å; L500-W548 HydrophobicContact CD2-CE3 3.6Å; L500-W548 HydrophobicContact CD2-CH2 4.47Å; L500-W548 HydrophobicContact CD2-CZ3 3.55Å; L500-W548 HydrophobicContact CG-CE3 4.39Å; Y503-W548 HydrophobicContact CD2-CB 3.41Å; Y503-W548 VanDerWaalsContact CD2-CB 3.41Å; Y503-W548 HydrophobicContact CE2-CB 3.83Å; Y503-W548 HydrophobicContact CG-CB 3.98Å; N545-W548 PolarHBondContact O-NE1 2.59Å; T546-W548 PolarHBondContact O-N 2.86Å; W548-I557 HydrophobicContact CH2-CD1 4.29Å; W548-I557 HydrophobicContact CZ2-CD1 3.88Å
549	L	59.4	Low	56.3	Low	10 Å²	10	72.2 Å²	72.2	5%	0.052	39%	0.385	C	S	.	.	S	Bend	trans	-64.1	148.8	175.4	-73.9	172.8	0	0	0	111.8	T546 H551 E555 I557	T546-L549 HydrophobicContact CG2-CD1 4.43Å; T546-L549 WeakPolarHBondContact O-CB 3.18Å; T546-L549 WeakPolarHBondContact O-CG 3.25Å; T546-L549 PolarHBondContact O-N 2.86Å; T546-L549 VanDerWaalsContact O-N 3.16Å; L549-H551 PolarHBondContact O-N 2.88Å; L549-H551 VanDerWaalsContact O-N 3.11Å; L549-E555 HydrophobicContact CD1-CB 3.55Å; L549-I557 HydrophobicContact CD1-CD1 3.86Å; L549-I557 HydrophobicContact CD1-CG1 3.8Å; L549-I557 HydrophobicContact CD2-CD1 3.73Å; L549-I557 HydrophobicContact CD2-CG1 4.22Å; L549-I557 HydrophobicContact CG-CD1 3.92Å; L549-I557 HydrophobicContact CG-CG1 4.39Å
550	P	52.2	Low	57.6	Low	53 Å²	53	65.5 Å²	65.5	34%	0.344	36%	0.363	S	S	.	.	S	Bend	trans	-70.3	-6.2	-179.7	28.9	-34.4	0	0	0	113.9
551	H	51.7	Low	58.7	Low	115 Å²	115	68.1 Å²	68.1	53%	0.532	37%	0.374	S	S	.	.	S	Bend	trans	-128.1	130.9	171.8	-62.7	-16.7	0	0	0	107.7	L549 E555	L549-H551 PolarHBondContact O-N 2.88Å; L549-H551 VanDerWaalsContact O-N 3.11Å; H551-E555 HydrophobicContact CB-CG 4.08Å; H551-E555 WeakPolarHBondContact CB-OE1 3.3Å; H551-E555 IonicContact CD2-OE1 2.74Å; H551-E555 PolarHBondContact CD2-OE1 3.02Å; H551-E555 IonicContact CG-OE1 2.97Å
552	G	44.2	Very low	59.7	Low	63 Å²	63	66.5 Å²	66.5	65%	0.649	37%	0.365	S	S	*	.			trans	-69.4	-170.9	-166.2	0	0	0	0	0	116	G554	G552-G554 PolarHBondContact O-N 3.12Å; G552-G554 VanDerWaalsContact O-N 3.12Å
553	E	41	Very low	60.7	Low	190 Å²	190	63 Å²	63	89%	0.888	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.2	109.7	-172.4	-61.2	-179.7	168.6	0	0	114.3
554	G	50.3	Low	61.6	Low	64 Å²	64	64.4 Å²	64.4	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.4	-23.5	179.2	0	0	0	0	0	113.9	G552 K556	G552-G554 PolarHBondContact O-N 3.12Å; G552-G554 VanDerWaalsContact O-N 3.12Å; G554-K556 PolarHBondContact O-N 3.29Å
555	E	55.8	Low	62.9	Low	57 Å²	57	60 Å²	60	27%	0.266	34%	0.336	S	S	.	.			trans	-77.3	118.7	179.1	-70.4	-105.3	-135	0	0	111.8	R297 T546 L549 H551	R297-E555 IonicContact CZ-OE1 3.19Å; R297-E555 IonicContact CZ-OE2 3.78Å; R297-E555 IonicContact NE-OE2 2.69Å; R297-E555 IonicContact NH1-OE1 3.08Å; R297-E555 PolarHBondContact NH1-OE1 3.32Å; R297-E555 IonicContact NH1-OE2 3.15Å; R297-E555 PolarHBondContact NH1-OE2 3.28Å; R297-E555 IonicContact NH2-OE1 3.32Å; R297-E555 PolarHBondContact NH2-OE1 3.45Å; R297-E555 IonicContact NH2-OE2 2.7Å; R297-E555 PolarHBondContact NH2-OE2 2.56Å; T546-E555 WeakPolarHBondContact CG2-O 3.46Å; L549-E555 HydrophobicContact CD1-CB 3.55Å; H551-E555 HydrophobicContact CB-CG 4.08Å; H551-E555 WeakPolarHBondContact CB-OE1 3.3Å; H551-E555 IonicContact CD2-OE1 2.74Å; H551-E555 PolarHBondContact CD2-OE1 3.02Å; H551-E555 IonicContact CG-OE1 2.97Å
556	K	62	Low	64.3	Low	116 Å²	116	53.8 Å²	53.8	50%	0.504	30%	0.302	S	S	.	.			trans	-98.8	107.7	-170.8	-71.7	-171.9	-178.9	-172.2	0	112	I294 Y542 G554	I294-K556 WeakPolarHBondContact CG2-O 3.27Å; Y542-K556 HydrophobicContact CD1-CB 3.56Å; Y542-K556 HydrophobicContact CD1-CD 4.1Å; Y542-K556 HydrophobicContact CD1-CG 4.13Å; Y542-K556 HydrophobicContact CD2-CD 4.13Å; Y542-K556 HydrophobicContact CE1-CB 3.7Å; Y542-K556 HydrophobicContact CE1-CD 3.86Å; Y542-K556 HydrophobicContact CE1-CG 4.28Å; Y542-K556 HydrophobicContact CE2-CD 3.93Å; Y542-K556 HydrophobicContact CG-CB 4.2Å; Y542-K556 HydrophobicContact CG-CD 4.2Å; Y542-K556 HydrophobicContact CG-CG 4.32Å; G554-K556 PolarHBondContact O-N 3.29Å
557	I	64.7	Low	65.7	Low	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-89.1	138.4	170.2	-45.6	177.7	0	0	0	109.1	P301 Y542 E543 T546 W548 L549	P301-I557 HydrophobicContact CB-CD1 4.32Å; Y542-I557 WeakPolarHBondContact CA-O 3.4Å; E543-I557 PolarHBondContact N-O 3.47Å; E543-I557 VanDerWaalsContact N-O 3.09Å; T546-I557 HydrophobicContact CG2-CG1 4.41Å; W548-I557 HydrophobicContact CH2-CD1 4.29Å; W548-I557 HydrophobicContact CZ2-CD1 3.88Å; L549-I557 HydrophobicContact CD1-CD1 3.86Å; L549-I557 HydrophobicContact CD1-CG1 3.8Å; L549-I557 HydrophobicContact CD2-CD1 3.73Å; L549-I557 HydrophobicContact CD2-CG1 4.22Å; L549-I557 HydrophobicContact CG-CD1 3.92Å; L549-I557 HydrophobicContact CG-CG1 4.39Å
558	L	71	Confident	67	Low	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-80.8	142.4	171	-62.2	171.2	0	0	0	111.5	F284 I294 L295 S298 I541 Y542 F562	F284-L558 HydrophobicContact CD2-CD2 4.39Å; F284-L558 HydrophobicContact CE1-CD1 3.82Å; F284-L558 HydrophobicContact CE2-CD1 4.47Å; F284-L558 HydrophobicContact CE2-CD2 3.96Å; F284-L558 HydrophobicContact CZ-CD1 3.73Å; F284-L558 HydrophobicContact CZ-CD2 4.05Å; F284-L558 HydrophobicContact CZ-CG 4.26Å; I294-L558 HydrophobicContact CG2-CD1 4.3Å; I294-L558 HydrophobicContact CG2-CG 4.08Å; L295-L558 HydrophobicContact CD2-CD1 3.59Å; L295-L558 HydrophobicContact CG-CD1 4.28Å; S298-L558 PolarHBondContact OG-N 3.44Å; S298-L558 VanDerWaalsContact OG-N 3.1Å; I541-L558 HydrophobicContact CG2-CD2 3.68Å; I541-L558 WeakPolarHBondContact O-CA 3.3Å; Y542-L558 HydrophobicContact CD1-CD2 4.09Å; Y542-L558 HydrophobicContact CE1-CD2 3.79Å; L558-F562 HydrophobicContact CB-CD1 4.3Å; L558-F562 HydrophobicContact CD1-CD1 4.18Å; L558-F562 HydrophobicContact CD1-CE1 4.25Å; L558-F562 HydrophobicContact CD2-CD1 3.87Å; L558-F562 HydrophobicContact CD2-CE1 3.89Å; L558-F562 HydrophobicContact CG-CD1 4.34Å
559	T	74.9	Confident	68.1	Low	35 Å²	35	49.8 Å²	49.8	22%	0.215	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.8	172.2	62	0	0	0	0	111.7	S540 I541 E543 D561 F562 L563	S540-T559 WeakPolarHBondContact O-CG2 3.24Å; I541-T559 PolarHBondContact O-N 3.15Å; E543-T559 HydrophobicContact CG-CG2 3.98Å; T559-D561 VanDerWaalsContact C-N 3.28Å; T559-D561 PolarHBondContact O-N 3.06Å; T559-F562 PolarHBondContact O-N 3.22Å; T559-F562 VanDerWaalsContact OG1-CB 3.27Å; T559-F562 WeakPolarHBondContact OG1-CB 3.43Å; T559-F562 PolarHBondContact OG1-N 2.92Å; T559-L563 PolarHBondContact O-N 3.47Å
560	T	71.8	Confident	69.4	Low	44 Å²	44	49.3 Å²	49.3	27%	0.27	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-33.7	-179.2	42.3	0	0	0	0	113.5	L516 L563 R564	L516-T560 HydrophobicContact CD2-CG2 3.7Å; T560-L563 PolarHBondContact O-N 3.4Å; T560-R564 WeakPolarHBondContact O-CB 3.32Å; T560-R564 PolarHBondContact O-N 3.26Å
561	D	73.9	Confident	70.9	Confident	105 Å²	105	50.3 Å²	50.3	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-70.5	-40.1	177.1	-63.7	-37.6	0	0	0	111.6	T559 L563 R564 K565	T559-D561 VanDerWaalsContact C-N 3.28Å; T559-D561 PolarHBondContact O-N 3.06Å; D561-L563 VanDerWaalsContact C-N 3.34Å; D561-R564 PolarHBondContact O-N 2.97Å; D561-K565 WeakPolarHBondContact O-CB 3.49Å; D561-K565 WeakPolarHBondContact O-CG 3.42Å; D561-K565 PolarHBondContact O-N 3.29Å
562	F	80.2	Confident	72.4	Confident	12 Å²	12	49.7 Å²	49.7	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-41.3	171.7	-175.5	-94.9	0	0	0	111.2	I281 F284 I541 L558 T559 R564 K565 F566	I281-F562 HydrophobicContact CG1-CE2 3.66Å; I281-F562 HydrophobicContact CG1-CZ 3.73Å; F284-F562 HydrophobicContact CD1-CE1 4.46Å; I541-F562 HydrophobicContact CG2-CD1 4.25Å; I541-F562 HydrophobicContact CG2-CD2 4.39Å; I541-F562 HydrophobicContact CG2-CE1 4.1Å; I541-F562 HydrophobicContact CG2-CE2 4.25Å; I541-F562 HydrophobicContact CG2-CG 4.38Å; I541-F562 HydrophobicContact CG2-CZ 4.09Å; L558-F562 HydrophobicContact CB-CD1 4.3Å; L558-F562 HydrophobicContact CD1-CD1 4.18Å; L558-F562 HydrophobicContact CD1-CE1 4.25Å; L558-F562 HydrophobicContact CD2-CD1 3.87Å; L558-F562 HydrophobicContact CD2-CE1 3.89Å; L558-F562 HydrophobicContact CG-CD1 4.34Å; T559-F562 PolarHBondContact O-N 3.22Å; T559-F562 VanDerWaalsContact OG1-CB 3.27Å; T559-F562 WeakPolarHBondContact OG1-CB 3.43Å; T559-F562 PolarHBondContact OG1-N 2.92Å; F562-R564 PolarHBondContact O-N 2.64Å; F562-K565 PolarHBondContact O-N 3.33Å; F562-F566 WeakPolarHBondContact O-CB 3.41Å; F562-F566 PolarHBondContact O-N 2.73Å
563	L	81.6	Confident	74.3	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-42.2	174.4	-176.6	63.7	0	0	0	111.8	L295 I357 T559 T560 D561 F566 I567	L295-L563 HydrophobicContact CD2-CD1 3.7Å; I357-L563 HydrophobicContact CD1-CD2 4.15Å; I357-L563 HydrophobicContact CG2-CD2 3.98Å; I357-L563 HydrophobicContact CG2-CG 4.38Å; T559-L563 PolarHBondContact O-N 3.47Å; T560-L563 PolarHBondContact O-N 3.4Å; D561-L563 VanDerWaalsContact C-N 3.34Å; L563-F566 PolarHBondContact O-N 3.14Å; L563-I567 HydrophobicContact CD1-CD1 4.11Å; L563-I567 HydrophobicContact CD1-CG1 4.4Å; L563-I567 HydrophobicContact CG-CD1 3.93Å; L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.42Å; L563-I567 PolarHBondContact O-N 3.2Å
564	R	79.6	Confident	76.6	Confident	71 Å²	71	44 Å²	44	27%	0.268	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-44.3	176.5	-174.3	-179.6	-76.2	-155.3	-2.6	111.8	N356 T560 D561 F562 S568	N356-R564 PolarHBondContact O-NH2 3.29Å; T560-R564 WeakPolarHBondContact O-CB 3.32Å; T560-R564 PolarHBondContact O-N 3.26Å; D561-R564 PolarHBondContact O-N 2.97Å; F562-R564 PolarHBondContact O-N 2.64Å; R564-S568 WeakPolarHBondContact O-CB 3.4Å; R564-S568 PolarHBondContact O-N 2.78Å; R564-S568 VanDerWaalsContact O-N 3.07Å; R564-S568 PolarHBondContact O-OG 3.41Å
565	K	80.6	Confident	78.5	Confident	47 Å²	47	41.2 Å²	41.2	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-47.2	171.8	-73	-178.1	-176.6	-169.4	0	111.2	V271 D277 D561 F562 S568 Y569	V271-K565 HydrophobicContact CG1-CG 4.04Å; D277-K565 IonicContact OD1-NZ 3.46Å; D277-K565 PolarHBondContact OD1-NZ 3.3Å; D277-K565 WeakPolarHBondContact OD2-CD 3.36Å; D277-K565 WeakPolarHBondContact OD2-CE 3.17Å; D277-K565 IonicContact OD2-NZ 3.21Å; D277-K565 PolarHBondContact OD2-NZ 2.81Å; D561-K565 WeakPolarHBondContact O-CB 3.49Å; D561-K565 WeakPolarHBondContact O-CG 3.42Å; D561-K565 PolarHBondContact O-N 3.29Å; F562-K565 PolarHBondContact O-N 3.33Å; K565-S568 PolarHBondContact O-N 2.9Å; K565-Y569 PolarHBondContact O-N 3.05Å
566	F	85.3	Confident	80.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-51.2	179	-179.7	-84	0	0	0	112.3	I281 F284 V285 L295 F562 L563 S568 Y569 A570 I626 F628	I281-F566 HydrophobicContact CG2-CD2 4.08Å; I281-F566 HydrophobicContact CG2-CE2 4.47Å; F284-F566 HydrophobicContact CD1-CE2 4.42Å; V285-F566 HydrophobicContact CG2-CE2 3.79Å; V285-F566 HydrophobicContact CG2-CZ 4.35Å; L295-F566 HydrophobicContact CD1-CE1 3.68Å; L295-F566 HydrophobicContact CD1-CE2 4.44Å; L295-F566 HydrophobicContact CD1-CZ 3.64Å; L295-F566 HydrophobicContact CD2-CD1 4.02Å; L295-F566 HydrophobicContact CD2-CE1 4Å; L295-F566 HydrophobicContact CD2-CG 4.43Å; L295-F566 HydrophobicContact CD2-CZ 4.36Å; F562-F566 WeakPolarHBondContact O-CB 3.41Å; F562-F566 PolarHBondContact O-N 2.73Å; L563-F566 PolarHBondContact O-N 3.14Å; F566-S568 VanDerWaalsContact C-N 3.32Å; F566-S568 PolarHBondContact O-N 2.92Å; F566-Y569 PolarHBondContact O-N 3.08Å; F566-A570 WeakPolarHBondContact O-CB 3.26Å; F566-A570 PolarHBondContact O-N 3.36Å; F566-I626 HydrophobicContact CZ-CG2 4.33Å; F566-F628 HydrophobicContact CD2-CE2 4.09Å; F566-F628 AromaticContact CD2-CZ 3.75Å; F566-F628 HydrophobicContact CD2-CZ 3.75Å; F566-F628 HydrophobicContact CE1-CZ 4.42Å; F566-F628 AromaticContact CE2-CE2 3.53Å; F566-F628 HydrophobicContact CE2-CE2 3.53Å; F566-F628 AromaticContact CE2-CZ 3.45Å; F566-F628 HydrophobicContact CE2-CZ 3.45Å; F566-F628 VanDerWaalsContact CE2-CZ 3.45Å; F566-F628 HydrophobicContact CG-CZ 4.35Å; F566-F628 HydrophobicContact CZ-CE2 4.1Å; F566-F628 AromaticContact CZ-CZ 3.8Å; F566-F628 HydrophobicContact CZ-CZ 3.8Å
567	I	85.2	Confident	81.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-42.6	178	-68	163.1	0	0	0	110.5	L317 I318 I357 L563 Y569 A570 K571	L317-I567 HydrophobicContact CB-CD1 4.34Å; L317-I567 HydrophobicContact CB-CG2 4.41Å; L317-I567 HydrophobicContact CD1-CD1 3.98Å; I318-I567 HydrophobicContact CG1-CG2 4.41Å; I357-I567 HydrophobicContact CG2-CD1 3.79Å; L563-I567 HydrophobicContact CD1-CD1 4.11Å; L563-I567 HydrophobicContact CD1-CG1 4.4Å; L563-I567 HydrophobicContact CG-CD1 3.93Å; L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.42Å; L563-I567 PolarHBondContact O-N 3.2Å; I567-Y569 VanDerWaalsContact C-N 3.33Å; I567-Y569 PolarHBondContact O-N 2.83Å; I567-A570 PolarHBondContact O-N 3.04Å; I567-K571 PolarHBondContact O-N 2.65Å
568	S	81.1	Confident	82.9	Confident	15 Å²	15	41.1 Å²	41.1	11%	0.105	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-38.2	179.3	-58.2	0	0	0	0	112.3	R564 K565 F566	R564-S568 WeakPolarHBondContact O-CB 3.4Å; R564-S568 PolarHBondContact O-N 2.78Å; R564-S568 VanDerWaalsContact O-N 3.07Å; R564-S568 PolarHBondContact O-OG 3.41Å; K565-S568 PolarHBondContact O-N 2.9Å; F566-S568 VanDerWaalsContact C-N 3.32Å; F566-S568 PolarHBondContact O-N 2.92Å
569	Y	83.8	Confident	83.9	Confident	44 Å²	44	44.4 Å²	44.4	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-72.5	-38.6	173.1	-171.2	-116.9	0	0	0	112.2	L278 I281 K565 F566 I567 K571 K572 F628	L278-Y569 HydrophobicContact CD2-CD1 4.2Å; L278-Y569 HydrophobicContact CD2-CD2 3.63Å; L278-Y569 HydrophobicContact CD2-CE1 3.95Å; L278-Y569 HydrophobicContact CD2-CE2 3.33Å; L278-Y569 HydrophobicContact CD2-CG 4.08Å; I281-Y569 HydrophobicContact CG2-CD1 4.08Å; K565-Y569 PolarHBondContact O-N 3.05Å; F566-Y569 PolarHBondContact O-N 3.08Å; I567-Y569 VanDerWaalsContact C-N 3.33Å; I567-Y569 PolarHBondContact O-N 2.83Å; Y569-K571 VanDerWaalsContact C-N 3.33Å; Y569-K571 PolarHBondContact O-N 2.64Å; Y569-K572 WeakPolarHBondContact O-CB 3.48Å; Y569-K572 PolarHBondContact O-N 2.8Å; Y569-F628 AromaticContact CD1-CD1 3.77Å; Y569-F628 HydrophobicContact CD1-CD1 3.77Å; Y569-F628 AromaticContact CD1-CE1 3.35Å; Y569-F628 HydrophobicContact CD1-CE1 3.35Å; Y569-F628 HydrophobicContact CD1-CE2 4.23Å; Y569-F628 HydrophobicContact CD1-CG 4.37Å; Y569-F628 AromaticContact CD1-CZ 3.64Å; Y569-F628 HydrophobicContact CD1-CZ 3.64Å; Y569-F628 AromaticContact CE1-CD1 3.9Å; Y569-F628 HydrophobicContact CE1-CD1 3.9Å; Y569-F628 HydrophobicContact CE1-CD2 4.45Å; Y569-F628 AromaticContact CE1-CE1 3.96Å; Y569-F628 HydrophobicContact CE1-CE1 3.96Å; Y569-F628 HydrophobicContact CE1-CG 4.17Å; Y569-F628 HydrophobicContact CE1-CZ 4.31Å; Y569-F628 HydrophobicContact CG-CE1 4.26Å
570	A	85.8	Confident	84.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-37.5	177.7	0	0	0	0	0	112.5	I318 F566 I567 K572 V573 F628	I318-A570 HydrophobicContact CD1-CB 4.19Å; I318-A570 HydrophobicContact CG1-CB 4.16Å; I318-A570 HydrophobicContact CG2-CB 4.04Å; F566-A570 WeakPolarHBondContact O-CB 3.26Å; F566-A570 PolarHBondContact O-N 3.36Å; I567-A570 PolarHBondContact O-N 3.04Å; A570-K572 PolarHBondContact O-N 2.91Å; A570-V573 PolarHBondContact O-N 3.35Å; A570-F628 HydrophobicContact CB-CE1 3.79Å
571	K	84.4	Confident	85.7	Confident	74 Å²	74	47 Å²	47	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-29.5	172.7	-77.6	-169.6	176.3	-168.5	0	113.6	L317 R399 I567 Y569	L317-K571 WeakPolarHBondContact O-CE 3.3Å; R399-K571 PolarHBondContact O-NZ 3.05Å; I567-K571 PolarHBondContact O-N 2.65Å; Y569-K571 VanDerWaalsContact C-N 3.33Å; Y569-K571 PolarHBondContact O-N 2.64Å
572	K	83.3	Confident	86.6	Confident	102 Å²	102	44.9 Å²	44.9	44%	0.443	24%	0.237	S	C	.	.	H	α-helix	trans	-74.3	-21.8	179.1	-66.3	-178.5	175.4	-178	0	113.3	T270 Y569 A570	T270-K572 VanDerWaalsContact CB-NZ 3.3Å; T270-K572 PolarHBondContact OG1-NZ 3.47Å; Y569-K572 WeakPolarHBondContact O-CB 3.48Å; Y569-K572 PolarHBondContact O-N 2.8Å; A570-K572 PolarHBondContact O-N 2.91Å
573	V	85.3	Confident	87.3	Confident	23 Å²	23	50.4 Å²	50.4	14%	0.139	26%	0.263	C	S	.	.			trans	-83.9	127.7	-176.6	-179.1	0	0	0	0	110.8	A570 P575 K625 F628	A570-V573 PolarHBondContact O-N 3.35Å; V573-P575 VanDerWaalsContact O-CD 3.29Å; V573-P575 WeakPolarHBondContact O-CD 3.31Å; V573-K625 WeakPolarHBondContact O-CE 3.06Å; V573-K625 VanDerWaalsContact O-CG 3.31Å; V573-K625 WeakPolarHBondContact O-CG 3.47Å; V573-F628 HydrophobicContact CG2-CD1 3.91Å
574	N	87.7	Confident	87.8	Confident	109 Å²	109	52.5 Å²	52.5	58%	0.583	27%	0.271	S	S	*	.			trans	-112.8	91.3	177.7	-70.6	-44.8	0	0	0	110.7	T321	T321-N574 HydrophobicContact CG2-CB 4.2Å
575	P	91.3	Very high	88.4	Confident	7 Å²	7	49.5 Å²	49.5	5%	0.045	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.8	143.8	176.1	26.1	-34.6	0	0	0	112.8	T321 V573 T621 A624 K625 A629 V632	T321-P575 HydrophobicContact CG2-CG 4.17Å; V573-P575 VanDerWaalsContact O-CD 3.29Å; V573-P575 WeakPolarHBondContact O-CD 3.31Å; P575-T621 HydrophobicContact CG-CG2 4.3Å; P575-T621 WeakPolarHBondContact CG-O 3.18Å; P575-A624 HydrophobicContact CB-CB 3.75Å; P575-A624 HydrophobicContact CG-CB 3.93Å; P575-K625 HydrophobicContact CG-CG 4.04Å; P575-A629 WeakPolarHBondContact CB-O 3.4Å; P575-V632 HydrophobicContact CB-CG2 4.08Å
576	V	91.2	Very high	89	Confident	99 Å²	99	50.5 Å²	50.5	60%	0.6	27%	0.273	S	S	*	.	B	Isolated β-bridge	trans	-99.5	140.7	171.8	-174	0	0	0	0	109.8	K630 R631 V632	V576-K630 PolarHBondContact N-O 3.33Å; V576-R631 WeakPolarHBondContact O-CA 3.38Å; V576-V632 PolarHBondContact O-N 2.86Å
577	L	89.8	Confident	89.3	Confident	39 Å²	39	55.4 Å²	55.4	20%	0.204	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.7	173.9	-68.5	166	0	0	0	110.7	I617 V632	L577-I617 HydrophobicContact CD1-CG1 4.34Å; L577-I617 HydrophobicContact CD1-CG2 3.99Å; L577-V632 HydrophobicContact CD2-CB 4.22Å; L577-V632 HydrophobicContact CD2-CG1 4.35Å; L577-V632 HydrophobicContact CD2-CG2 3.99Å
578	T	93.3	Very high	89.5	Confident	33 Å²	33	56.8 Å²	56.8	20%	0.202	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-98.7	152.5	171.7	56	0	0	0	0	110.1	Q580 A581 C582 R631 V632	T578-Q580 VanDerWaalsContact C-N 3.3Å; T578-Q580 PolarHBondContact O-N 3.08Å; T578-A581 PolarHBondContact O-N 3.33Å; T578-A581 VanDerWaalsContact O-N 3.07Å; T578-A581 WeakPolarHBondContact OG1-CB 3.43Å; T578-A581 PolarHBondContact OG1-N 3.06Å; T578-C582 PolarHBondContact O-N 2.98Å; T578-C582 PolarHBondContact O-SG 2.74Å; T578-C582 VanDerWaalsContact O-SG 3.38Å; T578-R631 HydrophobicContact CG2-CB 3.93Å; T578-R631 HydrophobicContact CG2-CG 4.37Å; T578-V632 WeakPolarHBondContact CG2-O 3.34Å; T578-V632 PolarHBondContact OG1-O 2.82Å
579	A	92.7	Very high	89.8	Confident	71 Å²	71	57.5 Å²	57.5	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-55.6	-44.4	179.2	0	0	0	0	0	112.3	A581 C582 E583	A579-A581 VanDerWaalsContact C-N 3.32Å; A579-A581 PolarHBondContact O-N 3.32Å; A579-C582 WeakPolarHBondContact O-CA 3.26Å; A579-C582 WeakPolarHBondContact O-CB 3.39Å; A579-C582 PolarHBondContact O-N 2.71Å; A579-E583 PolarHBondContact O-N 2.72Å
580	Q	93.1	Very high	90	Very high	134 Å²	134	58 Å²	58	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-57.5	-40.8	175.3	-66.4	174.9	-18.4	0	0	113	T578 Y584 V634	T578-Q580 VanDerWaalsContact C-N 3.3Å; T578-Q580 PolarHBondContact O-N 3.08Å; Q580-Y584 WeakPolarHBondContact O-CB 3.36Å; Q580-Y584 PolarHBondContact O-N 3.15Å; Q580-Y584 VanDerWaalsContact O-N 3.08Å; Q580-V634 HydrophobicContact CB-CG2 3.94Å
581	A	91.1	Very high	90	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-35.6	175.6	0	0	0	0	0	111.8	T578 A579 I585 V632	T578-A581 PolarHBondContact O-N 3.33Å; T578-A581 VanDerWaalsContact O-N 3.07Å; T578-A581 WeakPolarHBondContact OG1-CB 3.43Å; T578-A581 PolarHBondContact OG1-N 3.06Å; A579-A581 VanDerWaalsContact C-N 3.32Å; A579-A581 PolarHBondContact O-N 3.32Å; A581-I585 VanDerWaalsContact O-CB 3.29Å; A581-I585 WeakPolarHBondContact O-CB 3.46Å; A581-I585 WeakPolarHBondContact O-CD1 3.48Å; A581-I585 WeakPolarHBondContact O-CG1 3.35Å; A581-I585 PolarHBondContact O-N 3.32Å; A581-V632 HydrophobicContact CB-CG1 4.22Å
582	C	92.3	Very high	90	Very high	61 Å²	61	56.9 Å²	56.9	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-45.2	174.6	-64.8	0	0	0	0	112.1	T578 A579 I585 S586	T578-C582 PolarHBondContact O-N 2.98Å; T578-C582 PolarHBondContact O-SG 2.74Å; T578-C582 VanDerWaalsContact O-SG 3.38Å; A579-C582 WeakPolarHBondContact O-CA 3.26Å; A579-C582 WeakPolarHBondContact O-CB 3.39Å; A579-C582 PolarHBondContact O-N 2.71Å; C582-I585 PolarHBondContact O-N 3.37Å; C582-S586 WeakPolarHBondContact O-CB 3.29Å; C582-S586 PolarHBondContact O-N 3.41Å; C582-S586 PolarHBondContact O-OG 3.27Å
583	E	94.2	Very high	89.9	Confident	127 Å²	127	57.7 Å²	57.7	59%	0.593	31%	0.314	S	S	*	.	H	α-helix	trans	-58.2	-53.5	175.5	-73.1	164.5	-171.1	0	0	110.4	A579 I585 S586 E587	A579-E583 PolarHBondContact O-N 2.72Å; E583-I585 PolarHBondContact O-N 3.02Å; E583-S586 PolarHBondContact O-N 3.47Å; E583-S586 VanDerWaalsContact O-N 3.08Å; E583-S586 PolarHBondContact O-OG 3.1Å; E583-E587 PolarHBondContact O-N 3.48Å
584	Y	93.3	Very high	89.9	Confident	46 Å²	46	59.2 Å²	59.2	18%	0.18	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-44.6	178.2	-176.2	-91.8	0	0	0	113.2	Q580 S586 E587 K588 V634 A637 E638	Q580-Y584 WeakPolarHBondContact O-CB 3.36Å; Q580-Y584 PolarHBondContact O-N 3.15Å; Q580-Y584 VanDerWaalsContact O-N 3.08Å; Y584-S586 VanDerWaalsContact C-N 3.31Å; Y584-S586 PolarHBondContact O-N 2.91Å; Y584-E587 PolarHBondContact O-N 3.09Å; Y584-K588 HydrophobicContact CD1-CG 4.14Å; Y584-K588 HydrophobicContact CD2-CG 4.49Å; Y584-K588 HydrophobicContact CE1-CG 3.7Å; Y584-K588 HydrophobicContact CE2-CD 4.46Å; Y584-K588 HydrophobicContact CE2-CG 4.1Å; Y584-K588 WeakPolarHBondContact O-CB 3.43Å; Y584-K588 VanDerWaalsContact O-CG 3.3Å; Y584-K588 WeakPolarHBondContact O-CG 3.33Å; Y584-K588 PolarHBondContact O-N 2.96Å; Y584-V634 HydrophobicContact CD1-CG1 4.42Å; Y584-V634 HydrophobicContact CD2-CG1 3.93Å; Y584-V634 HydrophobicContact CE2-CG1 4.39Å; Y584-V634 HydrophobicContact CG-CG1 3.95Å; Y584-A637 HydrophobicContact CD1-CB 3.79Å; Y584-A637 HydrophobicContact CE1-CB 4.23Å; Y584-E638 HydrophobicContact CE1-CG 3.97Å; Y584-E638 HydrophobicContact CE2-CG 4.24Å; Y584-E638 WeakPolarHBondContact OH-CG 3.39Å
585	I	92.8	Very high	89.3	Confident	8 Å²	8	57.2 Å²	57.2	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-37.9	177.1	-71.8	166.9	0	0	0	110.9	A581 C582 E583 Y589 L613 L616 A637	A581-I585 VanDerWaalsContact O-CB 3.29Å; A581-I585 WeakPolarHBondContact O-CB 3.46Å; A581-I585 WeakPolarHBondContact O-CD1 3.48Å; A581-I585 WeakPolarHBondContact O-CG1 3.35Å; A581-I585 PolarHBondContact O-N 3.32Å; C582-I585 PolarHBondContact O-N 3.37Å; E583-I585 PolarHBondContact O-N 3.02Å; I585-Y589 VanDerWaalsContact O-CB 3.24Å; I585-Y589 WeakPolarHBondContact O-CB 3.45Å; I585-Y589 PolarHBondContact O-N 3.46Å; I585-L613 HydrophobicContact CG2-CD1 3.59Å; I585-L616 HydrophobicContact CG2-CB 4.03Å; I585-L616 HydrophobicContact CG2-CD1 4.19Å; I585-A637 HydrophobicContact CD1-CB 4.16Å; I585-A637 HydrophobicContact CG1-CB 3.9Å
586	S	91.8	Very high	88.1	Confident	67 Å²	67	59 Å²	59	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-42.6	178.9	72.3	0	0	0	0	112.7	C582 E583 Y584 Y589 A590	C582-S586 WeakPolarHBondContact O-CB 3.29Å; C582-S586 PolarHBondContact O-N 3.41Å; C582-S586 PolarHBondContact O-OG 3.27Å; E583-S586 PolarHBondContact O-N 3.47Å; E583-S586 VanDerWaalsContact O-N 3.08Å; E583-S586 PolarHBondContact O-OG 3.1Å; Y584-S586 VanDerWaalsContact C-N 3.31Å; Y584-S586 PolarHBondContact O-N 2.91Å; S586-Y589 PolarHBondContact O-N 3.14Å; S586-A590 WeakPolarHBondContact O-CB 3.5Å; S586-A590 PolarHBondContact O-N 3.37Å
587	E	92.4	Very high	87	Confident	104 Å²	104	63 Å²	63	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-52.6	174.1	-173.5	-164.8	136.6	0	0	110.3	E583 Y584 Y589 A590 D591	E583-E587 PolarHBondContact O-N 3.48Å; Y584-E587 PolarHBondContact O-N 3.09Å; E587-Y589 VanDerWaalsContact C-N 3.31Å; E587-Y589 PolarHBondContact O-N 3.17Å; E587-A590 WeakPolarHBondContact O-CB 3.43Å; E587-A590 PolarHBondContact O-N 2.85Å; E587-A590 VanDerWaalsContact O-N 3.09Å; E587-D591 PolarHBondContact O-N 3.5Å
588	K	88.5	Confident	85.8	Confident	30 Å²	30	66.7 Å²	66.7	13%	0.13	36%	0.359	C	S	.	.	H	α-helix	trans	-68.5	-27.6	-177.2	-67.3	-71.8	150.9	-98.3	0	113.7	Y584 D591 L592 Y641	Y584-K588 HydrophobicContact CD1-CG 4.14Å; Y584-K588 HydrophobicContact CD2-CG 4.49Å; Y584-K588 HydrophobicContact CE1-CG 3.7Å; Y584-K588 HydrophobicContact CE2-CD 4.46Å; Y584-K588 HydrophobicContact CE2-CG 4.1Å; Y584-K588 WeakPolarHBondContact O-CB 3.43Å; Y584-K588 VanDerWaalsContact O-CG 3.3Å; Y584-K588 WeakPolarHBondContact O-CG 3.33Å; Y584-K588 PolarHBondContact O-N 2.96Å; K588-D591 IonicContact NZ-OD2 2.79Å; K588-D591 PolarHBondContact NZ-OD2 2.94Å; K588-L592 VanDerWaalsContact O-CG 3.27Å; K588-L592 WeakPolarHBondContact O-CG 3.43Å; K588-L592 PolarHBondContact O-N 3.23Å; K588-L592 VanDerWaalsContact O-N 3.11Å; K588-Y641 HydrophobicContact CB-CD2 3.66Å; K588-Y641 HydrophobicContact CB-CE2 3.65Å; K588-Y641 HydrophobicContact CB-CG 4.39Å; K588-Y641 HydrophobicContact CD-CD1 4.43Å; K588-Y641 HydrophobicContact CD-CD2 4.38Å; K588-Y641 HydrophobicContact CD-CE1 4.16Å; K588-Y641 HydrophobicContact CD-CE2 4.07Å; K588-Y641 HydrophobicContact CG-CD2 4.25Å; K588-Y641 HydrophobicContact CG-CE2 4.29Å
589	Y	88.7	Confident	84.3	Confident	30 Å²	30	68 Å²	68	12%	0.118	36%	0.363	C	S	.	.	H	α-helix	trans	-72.1	-39	170.3	173.4	-100.2	0	0	0	112	I585 S586 E587 L592 R593 M608 A610 M612 L613	I585-Y589 VanDerWaalsContact O-CB 3.24Å; I585-Y589 WeakPolarHBondContact O-CB 3.45Å; I585-Y589 PolarHBondContact O-N 3.46Å; S586-Y589 PolarHBondContact O-N 3.14Å; E587-Y589 VanDerWaalsContact C-N 3.31Å; E587-Y589 PolarHBondContact O-N 3.17Å; Y589-L592 PolarHBondContact O-N 3.49Å; Y589-R593 PolarHBondContact O-N 3.45Å; Y589-R593 PolarHBondContact OH-NE 3.26Å; Y589-R593 VanDerWaalsContact OH-NE 3.16Å; Y589-M608 HydrophobicContact CE2-CE 4.45Å; Y589-A610 WeakPolarHBondContact OH-CA 3.35Å; Y589-M612 HydrophobicContact CE2-CB 4.23Å; Y589-L613 HydrophobicContact CD1-CD1 4.33Å; Y589-L613 HydrophobicContact CD2-CB 4.12Å; Y589-L613 HydrophobicContact CD2-CD1 4.5Å; Y589-L613 HydrophobicContact CE2-CB 4.24Å; Y589-L613 HydrophobicContact CG-CB 4.35Å; Y589-L613 HydrophobicContact CG-CD1 4Å
590	A	88.3	Confident	82.7	Confident	55 Å²	55	68.6 Å²	68.6	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-42.9	173.1	0	0	0	0	0	111.4	S586 E587 L592 R593 A594	S586-A590 WeakPolarHBondContact O-CB 3.5Å; S586-A590 PolarHBondContact O-N 3.37Å; E587-A590 WeakPolarHBondContact O-CB 3.43Å; E587-A590 PolarHBondContact O-N 2.85Å; E587-A590 VanDerWaalsContact O-N 3.09Å; A590-L592 PolarHBondContact O-N 3.13Å; A590-R593 PolarHBondContact O-N 3.48Å; A590-A594 PolarHBondContact O-N 3.47Å
591	D	85.8	Confident	81.1	Confident	48 Å²	48	67.6 Å²	67.6	26%	0.257	36%	0.362	S	S	.	.	H	α-helix	trans	-55.3	-52	172.8	-67.8	-26.1	0	0	0	111.2	E587 K588 R593 A594 F595	E587-D591 PolarHBondContact O-N 3.5Å; K588-D591 IonicContact NZ-OD2 2.79Å; K588-D591 PolarHBondContact NZ-OD2 2.94Å; D591-R593 PolarHBondContact O-N 2.9Å; D591-A594 PolarHBondContact O-N 3.01Å; D591-F595 HydrophobicContact CB-CD2 4.23Å; D591-F595 HydrophobicContact CB-CE2 4.18Å; D591-F595 WeakPolarHBondContact O-CD2 3.49Å; D591-F595 PolarHBondContact O-N 2.94Å
592	L	83	Confident	79.4	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-57.4	-37.5	-179.1	-74.3	168.8	0	0	0	112.6	K588 Y589 A590 E596 M608 Y641 L644 I648 F649	K588-L592 VanDerWaalsContact O-CG 3.27Å; K588-L592 WeakPolarHBondContact O-CG 3.43Å; K588-L592 PolarHBondContact O-N 3.23Å; K588-L592 VanDerWaalsContact O-N 3.11Å; Y589-L592 PolarHBondContact O-N 3.49Å; A590-L592 PolarHBondContact O-N 3.13Å; L592-E596 PolarHBondContact O-N 2.93Å; L592-M608 HydrophobicContact CB-CE 3.65Å; L592-M608 HydrophobicContact CD1-CE 4.33Å; L592-Y641 HydrophobicContact CD1-CD2 4.2Å; L592-Y641 HydrophobicContact CD1-CE2 3.65Å; L592-Y641 HydrophobicContact CD2-CE2 3.99Å; L592-Y641 HydrophobicContact CG-CE2 3.71Å; L592-L644 HydrophobicContact CD1-CD2 4.42Å; L592-I648 HydrophobicContact CD2-CD1 4.48Å; L592-F649 HydrophobicContact CD2-CE2 3.66Å; L592-F649 HydrophobicContact CD2-CZ 4.28Å
593	R	82.5	Confident	77.8	Confident	120 Å²	120	76.7 Å²	76.7	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-70.6	-39.1	173.7	-91.9	-171.4	163	-160	-7.4	113.4	Y589 A590 D591 E596	Y589-R593 PolarHBondContact O-N 3.45Å; Y589-R593 PolarHBondContact OH-NE 3.26Å; Y589-R593 VanDerWaalsContact OH-NE 3.16Å; A590-R593 PolarHBondContact O-N 3.48Å; D591-R593 PolarHBondContact O-N 2.9Å; R593-E596 VanDerWaalsContact O-CB 3.3Å; R593-E596 WeakPolarHBondContact O-CB 3.27Å; R593-E596 PolarHBondContact O-N 3.24Å
594	A	83.7	Confident	76.4	Confident	55 Å²	55	73.3 Å²	73.3	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-68.6	-36.6	176.8	0	0	0	0	0	112.1	A590 D591 E596 E597 T598	A590-A594 PolarHBondContact O-N 3.47Å; D591-A594 PolarHBondContact O-N 3.01Å; A594-E596 VanDerWaalsContact C-N 3.28Å; A594-E596 PolarHBondContact O-N 3.07Å; A594-E597 PolarHBondContact O-N 3.13Å; A594-T598 PolarHBondContact O-OG1 3.5Å
595	F	74.8	Confident	75.1	Confident	66 Å²	66	71.6 Å²	71.6	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-32.8	172.9	-80.2	-64.1	0	0	0	112.4	D591 T598 Q599	D591-F595 HydrophobicContact CB-CD2 4.23Å; D591-F595 HydrophobicContact CB-CE2 4.18Å; D591-F595 WeakPolarHBondContact O-CD2 3.49Å; D591-F595 PolarHBondContact O-N 2.94Å; F595-T598 PolarHBondContact O-N 3.41Å; F595-Q599 PolarHBondContact O-N 3.48Å
596	E	67.9	Low	74	Confident	44 Å²	44	71.6 Å²	71.6	21%	0.206	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-47.8	176.9	-169.8	179.6	-161	0	0	112.1	L592 R593 A594 T598 Q599 R604 M608	L592-E596 PolarHBondContact O-N 2.93Å; R593-E596 VanDerWaalsContact O-CB 3.3Å; R593-E596 WeakPolarHBondContact O-CB 3.27Å; R593-E596 PolarHBondContact O-N 3.24Å; A594-E596 VanDerWaalsContact C-N 3.28Å; A594-E596 PolarHBondContact O-N 3.07Å; E596-T598 PolarHBondContact O-N 2.99Å; E596-T598 VanDerWaalsContact O-N 3.12Å; E596-Q599 PolarHBondContact O-N 3.12Å; E596-R604 VanDerWaalsContact CG-NH1 3.27Å; E596-R604 PolarHBondContact O-NH2 3.12Å; E596-R604 VanDerWaalsContact O-NH2 3.15Å; E596-R604 IonicContact OE1-CZ 3.02Å; E596-R604 IonicContact OE1-NH1 2.71Å; E596-R604 PolarHBondContact OE1-NH1 3.01Å; E596-M608 WeakPolarHBondContact OE2-CB 3.28Å
597	E	66.3	Low	73	Confident	183 Å²	183	70 Å²	70	86%	0.855	36%	0.36	S	S	*	.	H	α-helix	trans	-61.4	-21.4	178.6	-64.8	-175.2	169.9	0	0	113.4	A594	A594-E597 PolarHBondContact O-N 3.13Å
598	T	65.4	Low	72.2	Confident	117 Å²	117	65.9 Å²	65.9	72%	0.718	34%	0.341	S	S	*	.	H	α-helix	trans	-92.2	-21.3	-175.9	-48.8	0	0	0	0	113	A594 F595 E596	A594-T598 PolarHBondContact O-OG1 3.5Å; F595-T598 PolarHBondContact O-N 3.41Å; E596-T598 PolarHBondContact O-N 2.99Å; E596-T598 VanDerWaalsContact O-N 3.12Å
599	Q	62.4	Low	71.9	Confident	60 Å²	60	66.7 Å²	66.7	28%	0.28	35%	0.348	S	S	.	.	S	Bend	trans	-109.9	132.4	-174.6	-69.1	-171.4	-11.3	0	0	112.7	F595 E596 R604	F595-Q599 PolarHBondContact O-N 3.48Å; E596-Q599 PolarHBondContact O-N 3.12Å; Q599-R604 PolarHBondContact O-NH2 3.38Å
600	S	59.6	Low	71.7	Confident	85 Å²	85	68.4 Å²	68.4	59%	0.594	37%	0.369	S	S	*	.			trans	-58	140.3	175.4	58.2	0	0	0	0	111.8	K602	S600-K602 PolarHBondContact O-N 2.96Å
601	D	58.1	Low	71.6	Confident	112 Å²	112	67 Å²	67	60%	0.599	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-57	-15.2	-171.3	-49.5	-53	0	0	0	115.2	E603 R604	D601-E603 VanDerWaalsContact C-N 3.29Å; D601-E603 PolarHBondContact O-N 3.17Å; D601-R604 PolarHBondContact O-N 3.36Å; D601-R604 IonicContact OD1-CZ 3.43Å; D601-R604 IonicContact OD1-NE 3.48Å; D601-R604 IonicContact OD1-NH1 2.68Å; D601-R604 PolarHBondContact OD1-NH1 3.08Å; D601-R604 IonicContact OD1-NH2 3.17Å; D601-R604 PolarHBondContact OD1-NH2 3.41Å
602	K	55.9	Low	71.7	Confident	159 Å²	159	64.7 Å²	64.7	69%	0.691	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58.7	-27.8	-175.8	-63	-169.1	174.5	-166.1	0	115.5	S600	S600-K602 PolarHBondContact O-N 2.96Å
603	E	58.5	Low	72	Confident	94 Å²	94	67.6 Å²	67.6	44%	0.439	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-100.5	0.7	-177.2	-65.7	-162.1	128.5	0	0	114.5	D601 K651	D601-E603 VanDerWaalsContact C-N 3.29Å; D601-E603 PolarHBondContact O-N 3.17Å; E603-K651 IonicContact OE1-NZ 2.87Å; E603-K651 PolarHBondContact OE1-NZ 3.47Å
604	R	65.2	Low	72.4	Confident	56 Å²	56	65.5 Å²	65.5	21%	0.211	35%	0.35	C	S	.	.			trans	-87.2	122.1	-171.1	-58.5	-168.6	-164.4	147.1	23.1	113.4	P461 E596 Q599 D601	P461-R604 WeakPolarHBondContact CG-O 3.41Å; E596-R604 VanDerWaalsContact CG-NH1 3.27Å; E596-R604 PolarHBondContact O-NH2 3.12Å; E596-R604 VanDerWaalsContact O-NH2 3.15Å; E596-R604 IonicContact OE1-CZ 3.02Å; E596-R604 IonicContact OE1-NH1 2.71Å; E596-R604 PolarHBondContact OE1-NH1 3.01Å; Q599-R604 PolarHBondContact O-NH2 3.38Å; D601-R604 PolarHBondContact O-N 3.36Å; D601-R604 IonicContact OD1-CZ 3.43Å; D601-R604 IonicContact OD1-NE 3.48Å; D601-R604 IonicContact OD1-NH1 2.68Å; D601-R604 PolarHBondContact OD1-NH1 3.08Å; D601-R604 IonicContact OD1-NH2 3.17Å; D601-R604 PolarHBondContact OD1-NH2 3.41Å
605	T	65.9	Low	72.7	Confident	10 Å²	10	62.9 Å²	62.9	6%	0.061	33%	0.328	C	S	.	.	S	Bend	trans	-84.1	-21.6	176.2	61.7	0	0	0	0	115.3	P461 V480 A647 I648	P461-T605 HydrophobicContact CG-CG2 4.36Å; V480-T605 HydrophobicContact CG2-CG2 4.25Å; T605-A647 PolarHBondContact OG1-O 3.13Å; T605-I648 WeakPolarHBondContact OG1-CA 3.47Å; T605-I648 PolarHBondContact OG1-O 2.93Å; T605-I648 VanDerWaalsContact OG1-O 3.13Å
606	M	70.4	Confident	73.5	Confident	7 Å²	7	59.8 Å²	59.8	3%	0.034	32%	0.315	C	S	.	.	S	Bend	trans	-143.6	144.9	-173.1	-70	-179.3	71.8	0	0	112.3	F475 I478 M612	F475-M606 WeakPolarHBondContact O-CE 3.24Å; I478-M606 HydrophobicContact CB-CG 4.15Å; I478-M606 HydrophobicContact CB-SD 4.05Å; I478-M606 HydrophobicContact CD1-CE 4.47Å; I478-M606 HydrophobicContact CD1-CG 3.73Å; I478-M606 HydrophobicContact CD1-SD 4.25Å; I478-M606 HydrophobicContact CG1-CE 4.23Å; I478-M606 HydrophobicContact CG1-CG 3.91Å; I478-M606 HydrophobicContact CG1-SD 3.8Å; M606-M612 HydrophobicContact CE-CE 3.61Å; M606-M612 HydrophobicContact CE-SD 3.88Å
607	P	70.9	Confident	74.7	Confident	35 Å²	35	60 Å²	60	23%	0.227	32%	0.317	C	S	.	.			trans	-75.6	127.5	172.5	29.9	-33.5	0	0	0	111.9	T609	P607-T609 PolarHBondContact O-N 3.24Å
608	M	75.2	Confident	75.9	Confident	17 Å²	17	52.1 Å²	52.1	8%	0.084	28%	0.279	C	S	.	.			trans	-78.4	78.3	-175.7	-73.8	-62.3	-60.6	0	0	113.6	Y589 L592 E596 M612 I648	Y589-M608 HydrophobicContact CE2-CE 4.45Å; L592-M608 HydrophobicContact CB-CE 3.65Å; L592-M608 HydrophobicContact CD1-CE 4.33Å; E596-M608 WeakPolarHBondContact OE2-CB 3.28Å; M608-M612 HydrophobicContact CE-CB 4.25Å; M608-M612 HydrophobicContact CE-CG 4.32Å; M608-M612 HydrophobicContact SD-CG 4.04Å; M608-I648 HydrophobicContact SD-CD1 3.74Å
609	T	81.5	Confident	77.3	Confident	46 Å²	46	46.5 Å²	46.5	28%	0.282	25%	0.245	S	C	.	.			trans	-90.4	166.9	175.3	70.5	0	0	0	0	112.5	P607 R611 M612	P607-T609 PolarHBondContact O-N 3.24Å; T609-R611 PolarHBondContact O-N 2.97Å; T609-R611 WeakPolarHBondContact OG1-CB 2.93Å; T609-R611 PolarHBondContact OG1-N 3Å; T609-M612 WeakPolarHBondContact O-CB 3.28Å; T609-M612 PolarHBondContact O-N 3.26Å
610	A	85.3	Confident	78.7	Confident	66 Å²	66	43.7 Å²	43.7	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.1	172.5	0	0	0	0	0	113.6	Y589 M612 L613	Y589-A610 WeakPolarHBondContact OH-CA 3.35Å; A610-M612 PolarHBondContact O-N 3.44Å; A610-L613 VanDerWaalsContact O-CB 3.29Å; A610-L613 WeakPolarHBondContact O-CB 3Å; A610-L613 PolarHBondContact O-N 3.41Å
611	R	86.4	Confident	80.3	Confident	25 Å²	25	39.8 Å²	39.8	9%	0.094	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-21	174.7	-157.3	-159.8	-168.3	103.7	2.6	113.5	R332 E423 S473 D476 T609 L613 E614 T615	R332-R611 VanDerWaalsContact NH1-NH2 3.11Å; E423-R611 VanDerWaalsContact CD-NH1 3.33Å; E423-R611 IonicContact OE1-CZ 3.22Å; E423-R611 IonicContact OE1-NH1 2.78Å; E423-R611 PolarHBondContact OE1-NH1 3.28Å; E423-R611 VanDerWaalsContact OE1-NH1 3.14Å; E423-R611 IonicContact OE1-NH2 2.8Å; E423-R611 IonicContact OE2-CZ 3.74Å; E423-R611 IonicContact OE2-NH1 3.97Å; E423-R611 PolarHBondContact OE2-NH1 3.35Å; E423-R611 IonicContact OE2-NH2 2.64Å; E423-R611 PolarHBondContact OE2-NH2 2.74Å; S473-R611 WeakPolarHBondContact O-CD 3.45Å; S473-R611 PolarHBondContact O-NE 3.23Å; S473-R611 VanDerWaalsContact O-NE 3.12Å; D476-R611 IonicContact OD1-NE 2.69Å; T609-R611 PolarHBondContact O-N 2.97Å; T609-R611 WeakPolarHBondContact OG1-CB 2.93Å; T609-R611 PolarHBondContact OG1-N 3Å; R611-L613 VanDerWaalsContact C-N 3.26Å; R611-L613 PolarHBondContact O-N 3.32Å; R611-E614 WeakPolarHBondContact O-CB 3.17Å; R611-E614 PolarHBondContact O-N 3.03Å; R611-T615 PolarHBondContact O-N 3.13Å; R611-T615 PolarHBondContact O-OG1 2.85Å
612	M	86.8	Confident	81.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-30.6	173.3	-65.6	-63.5	96.7	0	0	111.6	Y589 M606 M608 T609 A610 T615 L616 L644	Y589-M612 HydrophobicContact CE2-CB 4.23Å; M606-M612 HydrophobicContact CE-CE 3.61Å; M606-M612 HydrophobicContact CE-SD 3.88Å; M608-M612 HydrophobicContact CE-CB 4.25Å; M608-M612 HydrophobicContact CE-CG 4.32Å; M608-M612 HydrophobicContact SD-CG 4.04Å; T609-M612 WeakPolarHBondContact O-CB 3.28Å; T609-M612 PolarHBondContact O-N 3.26Å; A610-M612 PolarHBondContact O-N 3.44Å; M612-T615 WeakPolarHBondContact O-CB 3.47Å; M612-T615 PolarHBondContact O-N 3.31Å; M612-L616 PolarHBondContact O-N 2.59Å; M612-L644 HydrophobicContact SD-CD1 4.18Å
613	L	90.5	Very high	83.6	Confident	61 Å²	61	27.2 Å²	27.2	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-64.5	-43.5	170.2	-173.4	68.9	0	0	0	111.4	I585 Y589 A610 R611 T615 L616 I617	I585-L613 HydrophobicContact CG2-CD1 3.59Å; Y589-L613 HydrophobicContact CD1-CD1 4.33Å; Y589-L613 HydrophobicContact CD2-CB 4.12Å; Y589-L613 HydrophobicContact CD2-CD1 4.5Å; Y589-L613 HydrophobicContact CE2-CB 4.24Å; Y589-L613 HydrophobicContact CG-CB 4.35Å; Y589-L613 HydrophobicContact CG-CD1 4Å; A610-L613 VanDerWaalsContact O-CB 3.29Å; A610-L613 WeakPolarHBondContact O-CB 3Å; A610-L613 PolarHBondContact O-N 3.41Å; R611-L613 VanDerWaalsContact C-N 3.26Å; R611-L613 PolarHBondContact O-N 3.32Å; L613-T615 VanDerWaalsContact C-N 3.3Å; L613-T615 PolarHBondContact O-N 3.42Å; L613-L616 PolarHBondContact O-N 2.98Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.85Å; L613-I617 VanDerWaalsContact O-N 3.1Å
614	E	89.1	Confident	85.1	Confident	76 Å²	76	22.7 Å²	22.7	36%	0.355	12%	0.123	S	C	.	.	H	α-helix	trans	-63	-38.3	174.2	-58	-166.3	152.6	0	0	112.1	R611 I617 R618	R611-E614 WeakPolarHBondContact O-CB 3.17Å; R611-E614 PolarHBondContact O-N 3.03Å; E614-I617 WeakPolarHBondContact O-CB 3.06Å; E614-I617 PolarHBondContact O-N 3.42Å; E614-R618 WeakPolarHBondContact O-CG 3.28Å; E614-R618 PolarHBondContact O-N 2.9Å; E614-R618 IonicContact OE2-CZ 3.87Å; E614-R618 IonicContact OE2-NH1 3.72Å; E614-R618 IonicContact OE2-NH2 3.6Å; E614-R618 PolarHBondContact OE2-NH2 3.18Å
615	T	90.5	Very high	86.3	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-47.1	177.1	-64.5	0	0	0	0	111.4	D476 R611 M612 L613 I617 R618 L619 L644	D476-T615 HydrophobicContact CB-CG2 3.89Å; D476-T615 WeakPolarHBondContact O-CG2 3.4Å; R611-T615 PolarHBondContact O-N 3.13Å; R611-T615 PolarHBondContact O-OG1 2.85Å; M612-T615 WeakPolarHBondContact O-CB 3.47Å; M612-T615 PolarHBondContact O-N 3.31Å; L613-T615 VanDerWaalsContact C-N 3.3Å; L613-T615 PolarHBondContact O-N 3.42Å; T615-I617 PolarHBondContact O-N 2.76Å; T615-R618 PolarHBondContact O-N 3.34Å; T615-R618 VanDerWaalsContact O-N 3.15Å; T615-L619 HydrophobicContact CG2-CD1 3.87Å; T615-L619 HydrophobicContact CG2-CG 4.33Å; T615-L619 WeakPolarHBondContact O-CB 3.49Å; T615-L619 WeakPolarHBondContact O-CG 3.12Å; T615-L619 PolarHBondContact O-N 3.46Å; T615-L644 HydrophobicContact CG2-CD1 4.22Å
616	L	92.1	Very high	87.4	Confident	2 Å²	2	20 Å²	20	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-56.2	-41	172.7	-76.5	172.2	0	0	0	111.5	I585 M612 L613 S620 L644	I585-L616 HydrophobicContact CG2-CB 4.03Å; I585-L616 HydrophobicContact CG2-CD1 4.19Å; M612-L616 PolarHBondContact O-N 2.59Å; L613-L616 PolarHBondContact O-N 2.98Å; L616-S620 VanDerWaalsContact O-CB 3.23Å; L616-S620 WeakPolarHBondContact O-CB 3.44Å; L616-S620 PolarHBondContact O-N 3.41Å; L616-S620 PolarHBondContact O-OG 2.86Å; L616-L644 HydrophobicContact CD1-CD2 4.23Å; L616-L644 HydrophobicContact CD2-CB 4.19Å; L616-L644 HydrophobicContact CD2-CD2 3.57Å; L616-L644 HydrophobicContact CG-CD2 3.61Å
617	I	92.5	Very high	88.2	Confident	49 Å²	49	22.7 Å²	22.7	25%	0.251	12%	0.122	S	C	.	.	H	α-helix	trans	-64.1	-48.7	175.1	-69.5	164.8	0	0	0	111.1	L577 L613 E614 T615 S620 T621	L577-I617 HydrophobicContact CD1-CG1 4.34Å; L577-I617 HydrophobicContact CD1-CG2 3.99Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.85Å; L613-I617 VanDerWaalsContact O-N 3.1Å; E614-I617 WeakPolarHBondContact O-CB 3.06Å; E614-I617 PolarHBondContact O-N 3.42Å; T615-I617 PolarHBondContact O-N 2.76Å; I617-S620 PolarHBondContact O-N 2.93Å; I617-T621 WeakPolarHBondContact O-CG2 3.31Å; I617-T621 PolarHBondContact O-N 3.3Å; I617-T621 PolarHBondContact O-OG1 2.82Å
618	R	92.7	Very high	88.9	Confident	16 Å²	16	22.7 Å²	22.7	6%	0.06	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-50.7	178.5	-72.1	177.5	-166.2	120.3	17.3	111.1	R332 I335 D476 E614 T615 S620 T621 A622	R332-R618 PolarHBondContact O-NE 2.92Å; R332-R618 PolarHBondContact O-NH2 3.06Å; I335-R618 HydrophobicContact CD1-CB 4.39Å; I335-R618 HydrophobicContact CG1-CB 3.93Å; D476-R618 IonicContact OD1-NH1 2.58Å; D476-R618 PolarHBondContact OD1-NH1 3.19Å; D476-R618 VanDerWaalsContact OD2-CD 3.26Å; D476-R618 WeakPolarHBondContact OD2-CD 3.4Å; D476-R618 IonicContact OD2-CZ 3.66Å; D476-R618 IonicContact OD2-NE 3.07Å; D476-R618 IonicContact OD2-NH1 3.93Å; D476-R618 PolarHBondContact OD2-NH1 3.44Å; E614-R618 WeakPolarHBondContact O-CG 3.28Å; E614-R618 PolarHBondContact O-N 2.9Å; E614-R618 IonicContact OE2-CZ 3.87Å; E614-R618 IonicContact OE2-NH1 3.72Å; E614-R618 IonicContact OE2-NH2 3.6Å; E614-R618 PolarHBondContact OE2-NH2 3.18Å; T615-R618 PolarHBondContact O-N 3.34Å; T615-R618 VanDerWaalsContact O-N 3.15Å; R618-S620 PolarHBondContact O-N 2.84Å; R618-T621 PolarHBondContact O-N 2.67Å; R618-T621 PolarHBondContact O-OG1 2.87Å; R618-A622 PolarHBondContact O-N 2.74Å
619	L	92.9	Very high	89.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-45.5	178	-67.6	172.5	0	0	0	112.2	C315 I335 L477 T615 T621 A622 F623 A640 M643	C315-L619 HydrophobicContact CB-CD2 4.21Å; I335-L619 HydrophobicContact CD1-CD2 4Å; L477-L619 HydrophobicContact CD1-CD1 4.48Å; L477-L619 HydrophobicContact CD1-CD2 3.99Å; L477-L619 HydrophobicContact CD2-CD1 4.15Å; T615-L619 HydrophobicContact CG2-CD1 3.87Å; T615-L619 HydrophobicContact CG2-CG 4.33Å; T615-L619 WeakPolarHBondContact O-CB 3.49Å; T615-L619 WeakPolarHBondContact O-CG 3.12Å; T615-L619 PolarHBondContact O-N 3.46Å; L619-T621 VanDerWaalsContact C-N 3.3Å; L619-T621 PolarHBondContact O-N 3.46Å; L619-A622 WeakPolarHBondContact O-CB 3.48Å; L619-A622 PolarHBondContact O-N 2.96Å; L619-A622 VanDerWaalsContact O-N 3.09Å; L619-F623 VanDerWaalsContact O-CD2 3.27Å; L619-F623 WeakPolarHBondContact O-CD2 3.21Å; L619-F623 PolarHBondContact O-N 3.13Å; L619-A640 HydrophobicContact CB-CB 3.71Å; L619-M643 HydrophobicContact CD1-SD 4.49Å; L619-M643 HydrophobicContact CD2-SD 3.98Å
620	S	93.2	Very high	89.7	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-38.3	176.8	-57.2	0	0	0	0	112	L616 I617 R618 A624 A640	L616-S620 VanDerWaalsContact O-CB 3.23Å; L616-S620 WeakPolarHBondContact O-CB 3.44Å; L616-S620 PolarHBondContact O-N 3.41Å; L616-S620 PolarHBondContact O-OG 2.86Å; I617-S620 PolarHBondContact O-N 2.93Å; R618-S620 PolarHBondContact O-N 2.84Å; S620-A624 WeakPolarHBondContact O-CB 3.47Å; S620-A624 PolarHBondContact O-N 3.35Å; S620-A624 VanDerWaalsContact O-N 3.11Å; S620-A640 WeakPolarHBondContact OG-CB 3.42Å
621	T	92.9	Very high	90.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-35.6	173	62	0	0	0	0	112.7	G320 P575 I617 R618 L619 A624 K625 V632	G320-T621 VanDerWaalsContact CA-OG1 3.32Å; G320-T621 WeakPolarHBondContact CA-OG1 3.26Å; P575-T621 HydrophobicContact CG-CG2 4.3Å; P575-T621 WeakPolarHBondContact CG-O 3.18Å; I617-T621 WeakPolarHBondContact O-CG2 3.31Å; I617-T621 PolarHBondContact O-N 3.3Å; I617-T621 PolarHBondContact O-OG1 2.82Å; R618-T621 PolarHBondContact O-N 2.67Å; R618-T621 PolarHBondContact O-OG1 2.87Å; L619-T621 VanDerWaalsContact C-N 3.3Å; L619-T621 PolarHBondContact O-N 3.46Å; T621-A624 PolarHBondContact O-N 3.26Å; T621-K625 WeakPolarHBondContact O-CG 3.47Å; T621-K625 PolarHBondContact O-N 2.66Å; T621-V632 HydrophobicContact CG2-CG2 4.24Å
622	A	91.7	Very high	90.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-43.3	175.6	0	0	0	0	0	111.9	C315 I335 R618 L619 A624 K625 I626	C315-A622 HydrophobicContact CB-CB 4.03Å; I335-A622 HydrophobicContact CD1-CB 4.14Å; R618-A622 PolarHBondContact O-N 2.74Å; L619-A622 WeakPolarHBondContact O-CB 3.48Å; L619-A622 PolarHBondContact O-N 2.96Å; L619-A622 VanDerWaalsContact O-N 3.09Å; A622-A624 PolarHBondContact O-N 3.5Å; A622-K625 WeakPolarHBondContact O-CB 3.25Å; A622-K625 PolarHBondContact O-N 2.94Å; A622-I626 WeakPolarHBondContact O-CG1 3.14Å; A622-I626 PolarHBondContact O-N 3.08Å
623	F	91.3	Very high	90.5	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-41.1	173.5	-77	-63	0	0	0	112.9	I292 L619 K625 I626 R627 D636 K639 A640 M643	I292-F623 HydrophobicContact CD1-CD1 4.03Å; I292-F623 HydrophobicContact CD1-CE1 4.32Å; L619-F623 VanDerWaalsContact O-CD2 3.27Å; L619-F623 WeakPolarHBondContact O-CD2 3.21Å; L619-F623 PolarHBondContact O-N 3.13Å; F623-K625 VanDerWaalsContact C-N 3.32Å; F623-K625 PolarHBondContact O-N 2.88Å; F623-I626 HydrophobicContact CD1-CD1 4.08Å; F623-I626 HydrophobicContact CE1-CD1 4.5Å; F623-I626 PolarHBondContact O-N 3.07Å; F623-R627 PolarHBondContact O-N 3.29Å; F623-D636 HydrophobicContact CB-CB 4.08Å; F623-K639 HydrophobicContact CD2-CB 4.31Å; F623-K639 HydrophobicContact CE2-CB 4.22Å; F623-K639 HydrophobicContact CZ-CB 4.34Å; F623-A640 HydrophobicContact CD2-CB 4.13Å; F623-A640 HydrophobicContact CE2-CB 4.24Å; F623-M643 HydrophobicContact CE2-CE 4.46Å; F623-M643 HydrophobicContact CE2-SD 4.49Å; F623-M643 HydrophobicContact CZ-CE 3.81Å; F623-M643 HydrophobicContact CZ-SD 4.39Å
624	A	90.7	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-35.8	174.1	0	0	0	0	0	112.5	P575 S620 T621 A622 R627 F628 A629 V632	P575-A624 HydrophobicContact CB-CB 3.75Å; P575-A624 HydrophobicContact CG-CB 3.93Å; S620-A624 WeakPolarHBondContact O-CB 3.47Å; S620-A624 PolarHBondContact O-N 3.35Å; S620-A624 VanDerWaalsContact O-N 3.11Å; T621-A624 PolarHBondContact O-N 3.26Å; A622-A624 PolarHBondContact O-N 3.5Å; A624-R627 CarbonylContact O-C 3.57Å; A624-R627 PolarHBondContact O-N 2.84Å; A624-F628 PolarHBondContact O-N 3.09Å; A624-A629 PolarHBondContact O-N 2.95Å; A624-V632 HydrophobicContact CB-CB 4.47Å; A624-V632 HydrophobicContact CB-CG2 3.89Å
625	K	90.4	Very high	90.7	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-42.7	172.3	-77	-178.6	-179.2	-174.6	0	112.9	I318 G319 G320 V573 P575 T621 A622 F623 R627 F628	I318-K625 HydrophobicContact CG2-CB 3.65Å; I318-K625 HydrophobicContact CG2-CD 3.54Å; I318-K625 HydrophobicContact CG2-CG 4.29Å; I318-K625 PolarHBondContact O-NZ 2.98Å; G319-K625 WeakPolarHBondContact O-CD 3.06Å; G319-K625 WeakPolarHBondContact O-CE 3.34Å; G319-K625 PolarHBondContact O-NZ 3.39Å; G320-K625 PolarHBondContact O-NZ 3.01Å; V573-K625 WeakPolarHBondContact O-CE 3.06Å; V573-K625 VanDerWaalsContact O-CG 3.31Å; V573-K625 WeakPolarHBondContact O-CG 3.47Å; P575-K625 HydrophobicContact CG-CG 4.04Å; T621-K625 WeakPolarHBondContact O-CG 3.47Å; T621-K625 PolarHBondContact O-N 2.66Å; A622-K625 WeakPolarHBondContact O-CB 3.25Å; A622-K625 PolarHBondContact O-N 2.94Å; F623-K625 VanDerWaalsContact C-N 3.32Å; F623-K625 PolarHBondContact O-N 2.88Å; K625-R627 PolarHBondContact O-N 2.86Å; K625-F628 WeakPolarHBondContact O-CA 3.38Å; K625-F628 WeakPolarHBondContact O-CD1 3.41Å; K625-F628 PolarHBondContact O-N 3.3Å
626	I	88.6	Confident	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-36.2	175	-67.3	164.1	0	0	0	110.9	T291 I292 L295 L314 I318 F566 A622 F623 F628	T291-I626 HydrophobicContact CG2-CG2 4.46Å; I292-I626 HydrophobicContact CG1-CG2 4.05Å; L295-I626 HydrophobicContact CD1-CG2 3.82Å; L314-I626 HydrophobicContact CD2-CD1 3.87Å; L314-I626 HydrophobicContact CG-CD1 4.08Å; I318-I626 HydrophobicContact CD1-CD1 4.11Å; I318-I626 HydrophobicContact CD1-CG1 3.32Å; F566-I626 HydrophobicContact CZ-CG2 4.33Å; A622-I626 WeakPolarHBondContact O-CG1 3.14Å; A622-I626 PolarHBondContact O-N 3.08Å; F623-I626 HydrophobicContact CD1-CD1 4.08Å; F623-I626 HydrophobicContact CE1-CD1 4.5Å; F623-I626 PolarHBondContact O-N 3.07Å; I626-F628 VanDerWaalsContact C-N 3.31Å
627	R	86.4	Confident	90.7	Very high	64 Å²	64	32.8 Å²	32.8	24%	0.242	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.2	177	-66.4	172.6	58	-170.2	-6.1	114.4	V285 F623 A624 K625 A629 T633 D636	V285-R627 WeakPolarHBondContact CG1-O 3.33Å; F623-R627 PolarHBondContact O-N 3.29Å; A624-R627 CarbonylContact O-C 3.57Å; A624-R627 PolarHBondContact O-N 2.84Å; K625-R627 PolarHBondContact O-N 2.86Å; R627-A629 HydrophobicContact CB-CB 4.33Å; R627-A629 PolarHBondContact O-N 2.93Å; R627-T633 PolarHBondContact NH1-OG1 2.79Å; R627-D636 WeakPolarHBondContact CD-OD1 3.43Å; R627-D636 IonicContact CZ-OD1 2.8Å; R627-D636 IonicContact NE-OD1 3.89Å; R627-D636 IonicContact NH1-OD1 3.93Å; R627-D636 PolarHBondContact NH1-OD1 3.33Å; R627-D636 IonicContact NH1-OD2 3.69Å; R627-D636 PolarHBondContact NH1-OD2 3.01Å; R627-D636 VanDerWaalsContact NH1-OD2 3.11Å
628	F	86.1	Confident	90.7	Very high	36 Å²	36	34.9 Å²	34.9	16%	0.158	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	30	-168	-53.7	-59.5	0	0	0	114.3	I281 V285 F566 Y569 A570 V573 A624 K625 I626	I281-F628 HydrophobicContact CG2-CD2 4.18Å; I281-F628 HydrophobicContact CG2-CE2 3.2Å; I281-F628 HydrophobicContact CG2-CZ 3.49Å; I281-F628 VanDerWaalsContact CG2-CZ 3.49Å; V285-F628 HydrophobicContact CB-CD2 4.07Å; V285-F628 HydrophobicContact CB-CE2 4.32Å; V285-F628 HydrophobicContact CG1-CD2 4.06Å; V285-F628 HydrophobicContact CG2-CD2 3.57Å; V285-F628 HydrophobicContact CG2-CE2 3.38Å; F566-F628 HydrophobicContact CD2-CE2 4.09Å; F566-F628 AromaticContact CD2-CZ 3.75Å; F566-F628 HydrophobicContact CD2-CZ 3.75Å; F566-F628 HydrophobicContact CE1-CZ 4.42Å; F566-F628 AromaticContact CE2-CE2 3.53Å; F566-F628 HydrophobicContact CE2-CE2 3.53Å; F566-F628 AromaticContact CE2-CZ 3.45Å; F566-F628 HydrophobicContact CE2-CZ 3.45Å; F566-F628 VanDerWaalsContact CE2-CZ 3.45Å; F566-F628 HydrophobicContact CG-CZ 4.35Å; F566-F628 HydrophobicContact CZ-CE2 4.1Å; F566-F628 AromaticContact CZ-CZ 3.8Å; F566-F628 HydrophobicContact CZ-CZ 3.8Å; Y569-F628 AromaticContact CD1-CD1 3.77Å; Y569-F628 HydrophobicContact CD1-CD1 3.77Å; Y569-F628 AromaticContact CD1-CE1 3.35Å; Y569-F628 HydrophobicContact CD1-CE1 3.35Å; Y569-F628 HydrophobicContact CD1-CE2 4.23Å; Y569-F628 HydrophobicContact CD1-CG 4.37Å; Y569-F628 AromaticContact CD1-CZ 3.64Å; Y569-F628 HydrophobicContact CD1-CZ 3.64Å; Y569-F628 AromaticContact CE1-CD1 3.9Å; Y569-F628 HydrophobicContact CE1-CD1 3.9Å; Y569-F628 HydrophobicContact CE1-CD2 4.45Å; Y569-F628 AromaticContact CE1-CE1 3.96Å; Y569-F628 HydrophobicContact CE1-CE1 3.96Å; Y569-F628 HydrophobicContact CE1-CG 4.17Å; Y569-F628 HydrophobicContact CE1-CZ 4.31Å; Y569-F628 HydrophobicContact CG-CE1 4.26Å; A570-F628 HydrophobicContact CB-CE1 3.79Å; V573-F628 HydrophobicContact CG2-CD1 3.91Å; A624-F628 PolarHBondContact O-N 3.09Å; K625-F628 WeakPolarHBondContact O-CA 3.38Å; K625-F628 WeakPolarHBondContact O-CD1 3.41Å; K625-F628 PolarHBondContact O-N 3.3Å; I626-F628 VanDerWaalsContact C-N 3.31Å
629	A	86	Confident	90.5	Very high	21 Å²	21	37.8 Å²	37.8	17%	0.174	18%	0.178	C	C	.	.			trans	-80.8	135.5	-178.6	0	0	0	0	0	110.6	P575 A624 R627 R631	P575-A629 WeakPolarHBondContact CB-O 3.4Å; A624-A629 PolarHBondContact O-N 2.95Å; R627-A629 HydrophobicContact CB-CB 4.33Å; R627-A629 PolarHBondContact O-N 2.93Å; A629-R631 PolarHBondContact O-N 2.88Å
630	K	88.4	Confident	90.4	Very high	173 Å²	173	37.8 Å²	37.8	75%	0.752	18%	0.178	S	C	*	.	S	Bend	trans	-76.2	-10.9	172.9	-65.6	-173.5	178.9	-177	0	113.5	V576	V576-K630 PolarHBondContact N-O 3.33Å
631	R	92.2	Very high	90.3	Very high	183 Å²	183	38.6 Å²	38.6	69%	0.691	18%	0.181	S	C	*	.	B	Isolated β-bridge	trans	-135.3	136.5	-177.6	-69.7	-176.6	179.5	179.9	-0.3	109.8	V576 T578 A629	V576-R631 WeakPolarHBondContact O-CA 3.38Å; T578-R631 HydrophobicContact CG2-CB 3.93Å; T578-R631 HydrophobicContact CG2-CG 4.37Å; A629-R631 PolarHBondContact O-N 2.88Å
632	V	91.6	Very high	90.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-74.6	131.1	173.2	-177.1	0	0	0	0	109.4	P575 V576 L577 T578 A581 T621 A624 D636	P575-V632 HydrophobicContact CB-CG2 4.08Å; V576-V632 PolarHBondContact O-N 2.86Å; L577-V632 HydrophobicContact CD2-CB 4.22Å; L577-V632 HydrophobicContact CD2-CG1 4.35Å; L577-V632 HydrophobicContact CD2-CG2 3.99Å; T578-V632 WeakPolarHBondContact CG2-O 3.34Å; T578-V632 PolarHBondContact OG1-O 2.82Å; A581-V632 HydrophobicContact CB-CG1 4.22Å; T621-V632 HydrophobicContact CG2-CG2 4.24Å; A624-V632 HydrophobicContact CB-CB 4.47Å; A624-V632 HydrophobicContact CB-CG2 3.89Å; V632-D636 HydrophobicContact CG1-CB 4.15Å
633	T	91.5	Very high	90	Very high	49 Å²	49	42.1 Å²	42.1	30%	0.301	21%	0.206	S	C	.	.			trans	-103.6	159.5	176.9	64.7	0	0	0	0	111.4	R627 A635 D636 A637	R627-T633 PolarHBondContact NH1-OG1 2.79Å; T633-A635 PolarHBondContact O-N 3.21Å; T633-D636 WeakPolarHBondContact CB-OD2 3.45Å; T633-D636 PolarHBondContact N-OD2 3.24Å; T633-D636 WeakPolarHBondContact O-CB 3.43Å; T633-D636 PolarHBondContact O-N 3.26Å; T633-D636 VanDerWaalsContact OG1-CG 3.31Å; T633-D636 PolarHBondContact OG1-OD2 3.49Å; T633-A637 PolarHBondContact O-N 3.08Å
634	V	93.1	Very high	89.8	Confident	40 Å²	40	41.8 Å²	41.8	24%	0.242	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-39.4	179.5	-177.5	0	0	0	0	111.4	Q580 Y584 D636 A637 E638	Q580-V634 HydrophobicContact CB-CG2 3.94Å; Y584-V634 HydrophobicContact CD1-CG1 4.42Å; Y584-V634 HydrophobicContact CD2-CG1 3.93Å; Y584-V634 HydrophobicContact CE2-CG1 4.39Å; Y584-V634 HydrophobicContact CG-CG1 3.95Å; V634-D636 PolarHBondContact O-N 2.7Å; V634-A637 CarbonylContact O-C 3.53Å; V634-A637 WeakPolarHBondContact O-CA 3.08Å; V634-A637 WeakPolarHBondContact O-CB 3.1Å; V634-A637 PolarHBondContact O-N 3.22Å; V634-E638 HydrophobicContact CG1-CG 4.43Å; V634-E638 PolarHBondContact O-N 3.15Å
635	A	90.8	Very high	89.5	Confident	39 Å²	39	42.8 Å²	42.8	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-20.3	174.9	0	0	0	0	0	114.8	T633 K639	T633-A635 PolarHBondContact O-N 3.21Å; A635-K639 WeakPolarHBondContact O-CD 3.24Å; A635-K639 VanDerWaalsContact O-CG 3.3Å; A635-K639 WeakPolarHBondContact O-CG 3.44Å; A635-K639 PolarHBondContact O-N 3.48Å
636	D	90.8	Very high	89.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-79.8	-36.7	171.3	-54.5	-53.5	0	0	0	110.8	F623 R627 V632 T633 V634 K639 A640	F623-D636 HydrophobicContact CB-CB 4.08Å; R627-D636 WeakPolarHBondContact CD-OD1 3.43Å; R627-D636 IonicContact CZ-OD1 2.8Å; R627-D636 IonicContact NE-OD1 3.89Å; R627-D636 IonicContact NH1-OD1 3.93Å; R627-D636 PolarHBondContact NH1-OD1 3.33Å; R627-D636 IonicContact NH1-OD2 3.69Å; R627-D636 PolarHBondContact NH1-OD2 3.01Å; R627-D636 VanDerWaalsContact NH1-OD2 3.11Å; V632-D636 HydrophobicContact CG1-CB 4.15Å; T633-D636 WeakPolarHBondContact CB-OD2 3.45Å; T633-D636 PolarHBondContact N-OD2 3.24Å; T633-D636 WeakPolarHBondContact O-CB 3.43Å; T633-D636 PolarHBondContact O-N 3.26Å; T633-D636 VanDerWaalsContact OG1-CG 3.31Å; T633-D636 PolarHBondContact OG1-OD2 3.49Å; V634-D636 PolarHBondContact O-N 2.7Å; D636-K639 PolarHBondContact O-N 2.89Å; D636-A640 WeakPolarHBondContact O-CB 3.43Å; D636-A640 PolarHBondContact O-N 3.07Å
637	A	91.3	Very high	88.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-37.3	175.2	0	0	0	0	0	112.2	Y584 I585 T633 V634 A640 Y641	Y584-A637 HydrophobicContact CD1-CB 3.79Å; Y584-A637 HydrophobicContact CE1-CB 4.23Å; I585-A637 HydrophobicContact CD1-CB 4.16Å; I585-A637 HydrophobicContact CG1-CB 3.9Å; T633-A637 PolarHBondContact O-N 3.08Å; V634-A637 CarbonylContact O-C 3.53Å; V634-A637 WeakPolarHBondContact O-CA 3.08Å; V634-A637 WeakPolarHBondContact O-CB 3.1Å; V634-A637 PolarHBondContact O-N 3.22Å; A637-A640 PolarHBondContact O-N 3.45Å; A637-Y641 VanDerWaalsContact O-CB 3.29Å; A637-Y641 WeakPolarHBondContact O-CB 3.49Å; A637-Y641 PolarHBondContact O-N 2.78Å
638	E	92.2	Very high	88.3	Confident	92 Å²	92	43.8 Å²	43.8	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-44.8	170.8	-75.4	169.7	178.6	0	0	111.8	Y584 V634 Y641 S642	Y584-E638 HydrophobicContact CE1-CG 3.97Å; Y584-E638 HydrophobicContact CE2-CG 4.24Å; Y584-E638 WeakPolarHBondContact OH-CG 3.39Å; V634-E638 HydrophobicContact CG1-CG 4.43Å; V634-E638 PolarHBondContact O-N 3.15Å; E638-Y641 PolarHBondContact O-N 3.28Å; E638-S642 WeakPolarHBondContact O-CB 3.29Å; E638-S642 PolarHBondContact O-N 3.13Å
639	K	89.2	Confident	87.5	Confident	78 Å²	78	43.6 Å²	43.6	34%	0.339	22%	0.216	S	C	.	.	H	α-helix	trans	-66.5	-42	176.7	-72.1	172	-175.2	179.1	0	111.9	I292 F623 A635 D636 S642 M643	I292-K639 HydrophobicContact CD1-CD 4.25Å; F623-K639 HydrophobicContact CD2-CB 4.31Å; F623-K639 HydrophobicContact CE2-CB 4.22Å; F623-K639 HydrophobicContact CZ-CB 4.34Å; A635-K639 WeakPolarHBondContact O-CD 3.24Å; A635-K639 VanDerWaalsContact O-CG 3.3Å; A635-K639 WeakPolarHBondContact O-CG 3.44Å; A635-K639 PolarHBondContact O-N 3.48Å; D636-K639 PolarHBondContact O-N 2.89Å; K639-S642 PolarHBondContact O-N 3.4Å; K639-M643 PolarHBondContact O-N 2.92Å; K639-M643 VanDerWaalsContact O-N 3.07Å
640	A	91	Very high	86.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-42.9	173.4	0	0	0	0	0	112.4	L619 S620 F623 D636 A637 M643 L644	L619-A640 HydrophobicContact CB-CB 3.71Å; S620-A640 WeakPolarHBondContact OG-CB 3.42Å; F623-A640 HydrophobicContact CD2-CB 4.13Å; F623-A640 HydrophobicContact CE2-CB 4.24Å; D636-A640 WeakPolarHBondContact O-CB 3.43Å; D636-A640 PolarHBondContact O-N 3.07Å; A637-A640 PolarHBondContact O-N 3.45Å; A640-M643 PolarHBondContact O-N 3.46Å; A640-L644 WeakPolarHBondContact O-CB 3.18Å; A640-L644 PolarHBondContact O-N 3.49Å
641	Y	91.1	Very high	84.7	Confident	16 Å²	16	42.2 Å²	42.2	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-45.4	176	179.6	-99.2	0	0	0	111.9	K588 L592 A637 E638 M643 L644 S645 F655	K588-Y641 HydrophobicContact CB-CD2 3.66Å; K588-Y641 HydrophobicContact CB-CE2 3.65Å; K588-Y641 HydrophobicContact CB-CG 4.39Å; K588-Y641 HydrophobicContact CD-CD1 4.43Å; K588-Y641 HydrophobicContact CD-CD2 4.38Å; K588-Y641 HydrophobicContact CD-CE1 4.16Å; K588-Y641 HydrophobicContact CD-CE2 4.07Å; K588-Y641 HydrophobicContact CG-CD2 4.25Å; K588-Y641 HydrophobicContact CG-CE2 4.29Å; L592-Y641 HydrophobicContact CD1-CD2 4.2Å; L592-Y641 HydrophobicContact CD1-CE2 3.65Å; L592-Y641 HydrophobicContact CD2-CE2 3.99Å; L592-Y641 HydrophobicContact CG-CE2 3.71Å; A637-Y641 VanDerWaalsContact O-CB 3.29Å; A637-Y641 WeakPolarHBondContact O-CB 3.49Å; A637-Y641 PolarHBondContact O-N 2.78Å; E638-Y641 PolarHBondContact O-N 3.28Å; Y641-M643 VanDerWaalsContact C-N 3.3Å; Y641-M643 PolarHBondContact O-N 2.86Å; Y641-L644 PolarHBondContact O-N 2.84Å; Y641-S645 VanDerWaalsContact O-CB 3.23Å; Y641-S645 WeakPolarHBondContact O-CB 2.91Å; Y641-S645 PolarHBondContact O-N 2.74Å; Y641-F655 HydrophobicContact CE1-CE2 4.04Å; Y641-F655 HydrophobicContact CE1-CZ 4.18Å
642	S	89	Confident	82.3	Confident	76 Å²	76	39 Å²	39	53%	0.531	21%	0.207	S	C	.	.	H	α-helix	trans	-58.9	-41.5	176.8	-173	0	0	0	0	112	E638 K639 Y646	E638-S642 WeakPolarHBondContact O-CB 3.29Å; E638-S642 PolarHBondContact O-N 3.13Å; K639-S642 PolarHBondContact O-N 3.4Å; S642-Y646 WeakPolarHBondContact O-CB 3.43Å; S642-Y646 PolarHBondContact O-N 2.71Å; S642-Y646 VanDerWaalsContact O-N 3.1Å
643	M	87.6	Confident	79.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-46	176.2	176.7	179.2	-79.1	0	0	112	K311 A312 L477 L619 F623 K639 A640 Y641 Y646 A647	K311-M643 HydrophobicContact CB-CE 3.4Å; K311-M643 VanDerWaalsContact CB-CE 3.4Å; A312-M643 HydrophobicContact CB-CE 4.17Å; A312-M643 HydrophobicContact CB-SD 4.09Å; L477-M643 HydrophobicContact CD1-CG 4.37Å; L477-M643 HydrophobicContact CD1-SD 3.9Å; L477-M643 HydrophobicContact CD2-CG 4.49Å; L619-M643 HydrophobicContact CD1-SD 4.49Å; L619-M643 HydrophobicContact CD2-SD 3.98Å; F623-M643 HydrophobicContact CE2-CE 4.46Å; F623-M643 HydrophobicContact CE2-SD 4.49Å; F623-M643 HydrophobicContact CZ-CE 3.81Å; F623-M643 HydrophobicContact CZ-SD 4.39Å; K639-M643 PolarHBondContact O-N 2.92Å; K639-M643 VanDerWaalsContact O-N 3.07Å; A640-M643 PolarHBondContact O-N 3.46Å; Y641-M643 VanDerWaalsContact C-N 3.3Å; Y641-M643 PolarHBondContact O-N 2.86Å; M643-Y646 PolarHBondContact O-N 3.44Å; M643-A647 PolarHBondContact O-N 3.14Å; M643-A647 VanDerWaalsContact O-N 3.12Å
644	L	87.6	Confident	77.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-42.1	179.5	-176.2	64.1	0	0	0	111.7	L477 L592 M612 T615 L616 A640 Y641 Y646 A647 I648	L477-L644 HydrophobicContact CD2-CD1 4.03Å; L592-L644 HydrophobicContact CD1-CD2 4.42Å; M612-L644 HydrophobicContact SD-CD1 4.18Å; T615-L644 HydrophobicContact CG2-CD1 4.22Å; L616-L644 HydrophobicContact CD1-CD2 4.23Å; L616-L644 HydrophobicContact CD2-CB 4.19Å; L616-L644 HydrophobicContact CD2-CD2 3.57Å; L616-L644 HydrophobicContact CG-CD2 3.61Å; A640-L644 WeakPolarHBondContact O-CB 3.18Å; A640-L644 PolarHBondContact O-N 3.49Å; Y641-L644 PolarHBondContact O-N 2.84Å; L644-Y646 VanDerWaalsContact C-N 3.3Å; L644-Y646 PolarHBondContact O-N 2.95Å; L644-A647 PolarHBondContact O-N 3.06Å; L644-I648 HydrophobicContact CD1-CD1 4.11Å; L644-I648 HydrophobicContact CD1-CG1 4.34Å; L644-I648 HydrophobicContact CD2-CD1 4.29Å; L644-I648 HydrophobicContact CG-CD1 3.75Å; L644-I648 HydrophobicContact CG-CG1 4.39Å; L644-I648 WeakPolarHBondContact O-CG1 3.33Å; L644-I648 PolarHBondContact O-N 3.16Å
645	S	84.3	Confident	74.3	Confident	21 Å²	21	44.7 Å²	44.7	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-40.4	176.1	-175.1	0	0	0	0	111.6	Y641 I648 F649	Y641-S645 VanDerWaalsContact O-CB 3.23Å; Y641-S645 WeakPolarHBondContact O-CB 2.91Å; Y641-S645 PolarHBondContact O-N 2.74Å; S645-I648 PolarHBondContact O-N 3.36Å; S645-F649 WeakPolarHBondContact O-CD2 2.8Å; S645-F649 PolarHBondContact O-N 1.98Å
646	Y	82.8	Confident	71.6	Confident	82 Å²	82	52.4 Å²	52.4	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-42.8	173.9	178.8	-104.6	0	0	0	112.5	E308 F479 S642 M643 L644 K650 V652	E308-Y646 HydrophobicContact CB-CD1 3.74Å; E308-Y646 HydrophobicContact CB-CE1 3.63Å; E308-Y646 HydrophobicContact CG-CD1 3.86Å; E308-Y646 HydrophobicContact CG-CE1 3.85Å; E308-Y646 HydrophobicContact CG-CG 4.34Å; F479-Y646 HydrophobicContact CD1-CD1 4.45Å; F479-Y646 HydrophobicContact CD1-CE1 4.31Å; F479-Y646 HydrophobicContact CE1-CD1 4.09Å; F479-Y646 HydrophobicContact CE1-CE1 4.3Å; S642-Y646 WeakPolarHBondContact O-CB 3.43Å; S642-Y646 PolarHBondContact O-N 2.71Å; S642-Y646 VanDerWaalsContact O-N 3.1Å; M643-Y646 PolarHBondContact O-N 3.44Å; L644-Y646 VanDerWaalsContact C-N 3.3Å; L644-Y646 PolarHBondContact O-N 2.95Å; Y646-K650 WeakPolarHBondContact O-CA 3.08Å; Y646-K650 PolarHBondContact O-N 3.15Å; Y646-K650 VanDerWaalsContact O-N 3.08Å; Y646-V652 HydrophobicContact CD2-CG2 3.61Å; Y646-V652 HydrophobicContact CE2-CG2 3.8Å
647	A	81	Confident	69.1	Low	6 Å²	6	60.3 Å²	60.3	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-39.8	176.5	0	0	0	0	0	113	L477 F479 T605 M643 L644	L477-A647 HydrophobicContact CD2-CB 4.04Å; F479-A647 HydrophobicContact CE1-CB 4.23Å; T605-A647 PolarHBondContact OG1-O 3.13Å; M643-A647 PolarHBondContact O-N 3.14Å; M643-A647 VanDerWaalsContact O-N 3.12Å; L644-A647 PolarHBondContact O-N 3.06Å
648	I	76.7	Confident	66.6	Low	4 Å²	4	64.2 Å²	64.2	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-71.9	-49	-179.7	-66.4	166.9	0	0	0	112	L592 T605 M608 L644 S645	L592-I648 HydrophobicContact CD2-CD1 4.48Å; T605-I648 WeakPolarHBondContact OG1-CA 3.47Å; T605-I648 PolarHBondContact OG1-O 2.93Å; T605-I648 VanDerWaalsContact OG1-O 3.13Å; M608-I648 HydrophobicContact SD-CD1 3.74Å; L644-I648 HydrophobicContact CD1-CD1 4.11Å; L644-I648 HydrophobicContact CD1-CG1 4.34Å; L644-I648 HydrophobicContact CD2-CD1 4.29Å; L644-I648 HydrophobicContact CG-CD1 3.75Å; L644-I648 HydrophobicContact CG-CG1 4.39Å; L644-I648 WeakPolarHBondContact O-CG1 3.33Å; L644-I648 PolarHBondContact O-N 3.16Å; S645-I648 PolarHBondContact O-N 3.36Å
649	F	69.1	Low	64.2	Low	32 Å²	32	62.8 Å²	62.8	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-104	-0.9	-166.3	-64.3	-73.1	0	0	0	115	L592 S645 K651	L592-F649 HydrophobicContact CD2-CE2 3.66Å; L592-F649 HydrophobicContact CD2-CZ 4.28Å; S645-F649 WeakPolarHBondContact O-CD2 2.8Å; S645-F649 PolarHBondContact O-N 1.98Å; F649-K651 PolarHBondContact O-N 2.95Å
650	K	63.6	Low	62.2	Low	62 Å²	62	64.4 Å²	64.4	27%	0.27	32%	0.316	S	S	.	.	S	Bend	trans	62.2	-23.6	178.4	-174.5	-178.4	172.2	-168	0	115.8	D457 M482 Y646	D457-K650 IonicContact OD1-NZ 3.01Å; D457-K650 PolarHBondContact OD1-NZ 3Å; D457-K650 IonicContact OD2-NZ 3.43Å; D457-K650 PolarHBondContact OD2-NZ 3.21Å; M482-K650 WeakPolarHBondContact SD-CE 3.39Å; M482-K650 PolarHBondContact SD-NZ 2.85Å; Y646-K650 WeakPolarHBondContact O-CA 3.08Å; Y646-K650 PolarHBondContact O-N 3.15Å; Y646-K650 VanDerWaalsContact O-N 3.08Å
651	K	52.3	Low	59.9	Low	104 Å²	104	68.7 Å²	68.7	45%	0.452	34%	0.336	S	S	.	.			trans	-120.7	119.6	-170.3	-67.1	170.2	-176	160.1	0	111.7	E603 F649 S653	E603-K651 IonicContact OE1-NZ 2.87Å; E603-K651 PolarHBondContact OE1-NZ 3.47Å; F649-K651 PolarHBondContact O-N 2.95Å; K651-S653 PolarHBondContact O-N 3.27Å
652	V	42.6	Very low	57.9	Low	116 Å²	116	74.7 Å²	74.7	70%	0.703	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.1	174.1	-178.8	0	0	0	0	113.1	Y646 V654	Y646-V652 HydrophobicContact CD2-CG2 3.61Å; Y646-V652 HydrophobicContact CE2-CG2 3.8Å; V652-V654 PolarHBondContact O-N 3.41Å
653	S	32.8	Very low	55.9	Low	49 Å²	49	78 Å²	78	34%	0.343	38%	0.379	S	S	.	.	H	α-helix	trans	-81.3	-10.3	-162	52.5	0	0	0	0	117.3	K651 R657	K651-S653 PolarHBondContact O-N 3.27Å; S653-R657 PolarHBondContact O-N 2.96Å
654	V	40.1	Very low	53.7	Low	60 Å²	60	81.9 Å²	81.9	36%	0.364	41%	0.406	S	S	.	.	H	α-helix	trans	-71.9	-50.3	-170.6	-171	0	0	0	0	112.1	V652 R656 Q658	V652-V654 PolarHBondContact O-N 3.41Å; V654-R656 PolarHBondContact O-N 3.01Å; V654-Q658 PolarHBondContact O-N 3.47Å
655	F	33.5	Very low	51.4	Low	99 Å²	99	89.1 Å²	89.1	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-70.9	-30.7	-178.5	-83.4	-78	0	0	0	114.3	Y641 S659	Y641-F655 HydrophobicContact CE1-CE2 4.04Å; Y641-F655 HydrophobicContact CE1-CZ 4.18Å; F655-S659 PolarHBondContact O-N 2.79Å; F655-S659 PolarHBondContact O-OG 2.66Å
656	R	35	Very low	49.1	Very low	200 Å²	200	93 Å²	93	76%	0.755	46%	0.462	S	S	*	.	H	α-helix	trans	-73.6	-30.7	-179.7	-144.9	178.7	-162.4	177.4	5.9	112.5	V654 S659 L660	V654-R656 PolarHBondContact O-N 3.01Å; R656-S659 PolarHBondContact O-OG 2.88Å; R656-L660 WeakPolarHBondContact O-CD1 3.25Å; R656-L660 WeakPolarHBondContact O-CG 3.24Å; R656-L660 PolarHBondContact O-N 2.92Å
657	R	37.9	Very low	46.8	Very low	166 Å²	166	96 Å²	96	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-70.9	-48.4	172.5	-79.3	-175.5	173.7	145.7	-0	111.9	S653 S659 L660 E661	S653-R657 PolarHBondContact O-N 2.96Å; R657-S659 PolarHBondContact O-N 2.78Å; R657-L660 PolarHBondContact O-N 3.07Å; R657-L660 VanDerWaalsContact O-N 3.13Å; R657-E661 WeakPolarHBondContact O-CB 3.39Å; R657-E661 WeakPolarHBondContact O-CG 3.34Å; R657-E661 PolarHBondContact O-N 2.98Å
658	Q	38.7	Very low	44.5	Very low	84 Å²	84	102.6 Å²	102.6	39%	0.393	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-37.1	-178	-72.6	-176.2	-12.8	0	0	113.5	V654 L660 E661 L662	V654-Q658 PolarHBondContact O-N 3.47Å; Q658-L660 VanDerWaalsContact C-N 3.32Å; Q658-L660 PolarHBondContact O-N 2.81Å; Q658-E661 PolarHBondContact O-N 2.93Å; Q658-L662 WeakPolarHBondContact O-CB 3.5Å; Q658-L662 WeakPolarHBondContact O-CD1 3.29Å; Q658-L662 WeakPolarHBondContact O-CG 3.49Å; Q658-L662 PolarHBondContact O-N 2.91Å
659	S	42.5	Very low	42.7	Very low	61 Å²	61	114 Å²	114	43%	0.427	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-31.9	174.4	46.1	0	0	0	0	113.1	F655 R656 R657 I663	F655-S659 PolarHBondContact O-N 2.79Å; F655-S659 PolarHBondContact O-OG 2.66Å; R656-S659 PolarHBondContact O-OG 2.88Å; R657-S659 PolarHBondContact O-N 2.78Å; S659-I663 VanDerWaalsContact O-CD1 3.31Å; S659-I663 WeakPolarHBondContact O-CD1 3.43Å; S659-I663 VanDerWaalsContact O-CG1 3.32Å; S659-I663 WeakPolarHBondContact O-CG1 3.27Å
660	L	46.4	Very low	41	Very low	112 Å²	112	118.6 Å²	118.6	59%	0.586	60%	0.597	S	S	*	*	H	α-helix	trans	-76	-39.6	171.3	-75	165.6	0	0	0	112.2	R656 R657 Q658 L662 I663 S664	R656-L660 WeakPolarHBondContact O-CD1 3.25Å; R656-L660 WeakPolarHBondContact O-CG 3.24Å; R656-L660 PolarHBondContact O-N 2.92Å; R657-L660 PolarHBondContact O-N 3.07Å; R657-L660 VanDerWaalsContact O-N 3.13Å; Q658-L660 VanDerWaalsContact C-N 3.32Å; Q658-L660 PolarHBondContact O-N 2.81Å; L660-L662 PolarHBondContact O-N 3.21Å; L660-I663 PolarHBondContact O-N 3.4Å; L660-I663 VanDerWaalsContact O-N 3.14Å; L660-S664 WeakPolarHBondContact O-CB 3.28Å; L660-S664 PolarHBondContact O-N 3Å; L660-S664 PolarHBondContact O-OG 3.25Å
661	E	42.8	Very low	39.6	Very low	91 Å²	91	122.5 Å²	122.5	43%	0.425	62%	0.621	S	S	.	*	H	α-helix	trans	-69.1	-30	178.4	-75	174.9	-160.6	0	0	113.6	R657 Q658 I663 S664 K665	R657-E661 WeakPolarHBondContact O-CB 3.39Å; R657-E661 WeakPolarHBondContact O-CG 3.34Å; R657-E661 PolarHBondContact O-N 2.98Å; Q658-E661 PolarHBondContact O-N 2.93Å; E661-I663 VanDerWaalsContact C-N 3.27Å; E661-S664 WeakPolarHBondContact CA-OG 3.49Å; E661-S664 PolarHBondContact O-N 3.38Å; E661-K665 WeakPolarHBondContact O-CG 3.18Å; E661-K665 PolarHBondContact O-N 2.91Å
662	L	48.8	Very low	38.7	Very low	142 Å²	142	123.9 Å²	123.9	74%	0.743	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-24	171.2	-83.3	159.3	0	0	0	112.6	Q658 L660	Q658-L662 WeakPolarHBondContact O-CB 3.5Å; Q658-L662 WeakPolarHBondContact O-CD1 3.29Å; Q658-L662 WeakPolarHBondContact O-CG 3.49Å; Q658-L662 PolarHBondContact O-N 2.91Å; L660-L662 PolarHBondContact O-N 3.21Å
663	I	47.6	Very low	38.2	Very low	145 Å²	145	121.9 Å²	121.9	74%	0.744	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-24.8	174.7	-64.5	168.7	0	0	0	111	S659 L660 E661	S659-I663 VanDerWaalsContact O-CD1 3.31Å; S659-I663 WeakPolarHBondContact O-CD1 3.43Å; S659-I663 VanDerWaalsContact O-CG1 3.32Å; S659-I663 WeakPolarHBondContact O-CG1 3.27Å; L660-I663 PolarHBondContact O-N 3.4Å; L660-I663 VanDerWaalsContact O-N 3.14Å; E661-I663 VanDerWaalsContact C-N 3.27Å
664	S	42.2	Very low	38.3	Very low	83 Å²	83	129.1 Å²	129.1	58%	0.58	67%	0.666	S	S	*	*	S	Bend	trans	-101	4.3	-174.2	79.5	0	0	0	0	116	L660 E661 P666	L660-S664 WeakPolarHBondContact O-CB 3.28Å; L660-S664 PolarHBondContact O-N 3Å; L660-S664 PolarHBondContact O-OG 3.25Å; E661-S664 WeakPolarHBondContact CA-OG 3.49Å; E661-S664 PolarHBondContact O-N 3.38Å; S664-P666 WeakPolarHBondContact O-CD 3.28Å
665	K	38.6	Very low	37.9	Very low	152 Å²	152	136.4 Å²	136.4	66%	0.661	69%	0.688	S	S	*	*			trans	-86.7	110.7	173.8	-82.3	175.4	-176.9	175.4	0	110.5	E661	E661-K665 WeakPolarHBondContact O-CG 3.18Å; E661-K665 PolarHBondContact O-N 2.91Å
666	P	36.4	Very low	37.9	Very low	103 Å²	103	140.3 Å²	140.3	67%	0.669	70%	0.704	S	S	*	*			trans	-66.3	142.7	172.9	29.9	-34	0	0	0	109.7	S664 D668	S664-P666 WeakPolarHBondContact O-CD 3.28Å; P666-D668 VanDerWaalsContact C-N 3.27Å; P666-D668 PolarHBondContact O-N 2.79Å
667	T	34.5	Very low	37.7	Very low	144 Å²	144	142 Å²	142	88%	0.883	71%	0.71	S	S	*	*			trans	-78.8	71	-177.6	51.4	0	0	0	0	112	R669	T667-R669 PolarHBondContact O-N 3.28Å
668	D	32.9	Very low	37.4	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	72%	0.723	S	S	*	*			trans	-78.7	93	165.8	-81.1	-32.2	0	0	0	110	P666	P666-D668 VanDerWaalsContact C-N 3.27Å; P666-D668 PolarHBondContact O-N 2.79Å
669	R	38	Very low	37.1	Very low	244 Å²	244	145.8 Å²	145.8	92%	0.921	74%	0.736	S	S	*	*			trans	-125.3	101.1	156.8	-82.1	-167.3	173.7	-175.1	-0.8	109.9	T667	T667-R669 PolarHBondContact O-N 3.28Å
670	T	33	Very low	36.6	Very low	128 Å²	128	148.4 Å²	148.4	79%	0.785	75%	0.749	S	S	*	*			trans	-63	147.7	168.8	45.2	0	0	0	0	112.2
671	D	34.8	Very low	36	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	76%	0.76	S	S	*	*			trans	105.5	132.2	136.1	-115.5	-26.4	0	0	0	122.5
672	T	33	Very low	35.7	Very low	133 Å²	133	152.7 Å²	152.7	82%	0.816	78%	0.777	S	S	*	*			trans	62.7	110.6	166.9	69.4	0	0	0	0	119.3
673	G	32.8	Very low	34.9	Very low	74 Å²	74	151.3 Å²	151.3	76%	0.763	78%	0.779	S	S	*	*			trans	-174.7	14.7	179.8	0	0	0	0	0	123.4
674	K	34.8	Very low	34.2	Very low	201 Å²	201	152.3 Å²	152.3	87%	0.874	78%	0.781	S	S	*	*			trans	53.9	117.8	165.1	-77.1	172.6	-179.1	164.2	0	119.7
675	R	31.5	Very low	33.8	Very low	214 Å²	214	154.4 Å²	154.4	81%	0.808	79%	0.785	S	S	*	*				110.8	117.4	126	-82	175.3	162	179.7	-3.9	120
676	K	33.9	Very low	33.7	Very low	180 Å²	180	153.9 Å²	153.9	78%	0.783	79%	0.79	S	S	*	*			trans	71	139.9	143.9	-65.4	177.1	177.3	-176.4	0	117.5
677	R	31.3	Very low	33.4	Very low	235 Å²	235	153.9 Å²	153.9	89%	0.887	79%	0.792	S	S	*	*			cis	169.5	123.6	-22.8	-121.4	-171	176	-172.3	-1.3	104.3
678	R	32	Very low	33.4	Very low	235 Å²	235	153 Å²	153	89%	0.887	79%	0.786	S	S	*	*			trans	149.1	103.4	146	-85.5	170	170.1	178.4	-3.9	108.6
679	S	31.1	Very low	33.6	Very low	95 Å²	95	154.6 Å²	154.6	66%	0.664	79%	0.789	S	S	*	*				69.3	136.1	72.9	73.2	0	0	0	0	112.3
680	T	32.4	Very low	33.4	Very low	116 Å²	116	148.1 Å²	148.1	71%	0.712	78%	0.781	S	S	*	*			cis	-178.4	159.7	1.3	17.5	0	0	0	0	106.2
681	Q	34.4	Very low	33.9	Very low	175 Å²	175	148.4 Å²	148.4	82%	0.818	79%	0.785	S	S	*	*			cis	-159.7	162.1	-1	-138.8	160.9	-85.6	0	0	108.4
682	P	35.3	Very low	34	Very low	118 Å²	118	148.8 Å²	148.8	77%	0.766	78%	0.784	S	S	*	*			trans	-107.9	148.6	179.6	38.7	-30.7	0	0	0	115.2
683	S	32.4	Very low	34.3	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	78%	0.781	S	S	*	*			trans	173.5	146.6	162.1	45.7	0	0	0	0	105.9
684	Q	32.2	Very low	34.6	Very low	167 Å²	167	156.7 Å²	156.7	78%	0.78	79%	0.786	S	S	*	*			cis	-179.1	170.1	-9	-138.9	172	-40.3	0	0	104.6
685	D	34.1	Very low	34.8	Very low	127 Å²	127	156.2 Å²	156.2	68%	0.679	78%	0.784	S	S	*	*			trans	78.2	132.1	158.3	-50.8	-17.8	0	0	0	122.4
686	D	36.3	Very low	35.1	Very low	141 Å²	141	154.3 Å²	154.3	75%	0.754	78%	0.782	S	S	*	*			trans	69	94.2	143.8	-60.9	-8.7	0	0	0	123.4
687	S	31.2	Very low	36	Very low	102 Å²	102	155.7 Å²	155.7	71%	0.713	79%	0.788	S	S	*	*				50.3	149.4	117	75	0	0	0	0	123.3
688	V	34.8	Very low	36.6	Very low	126 Å²	126	156.9 Å²	156.9	76%	0.764	80%	0.799	S	S	*	*			trans	99.3	142.3	160.8	-174	0	0	0	0	116.9
689	E	35.7	Very low	36.8	Very low	179 Å²	179	153 Å²	153	84%	0.836	80%	0.795	S	S	*	*			trans	71.4	99.3	166.2	-84.6	167.5	-174.4	0	0	121.9
690	S	35.4	Very low	37.1	Very low	109 Å²	109	156.1 Å²	156.1	76%	0.762	80%	0.802	S	S	*	*			trans	-65.4	158	149.9	60	0	0	0	0	112.5
691	P	41.9	Very low	37.4	Very low	134 Å²	134	158.3 Å²	158.3	87%	0.87	81%	0.807	S	S	*	*				-144.7	176.5	114.5	33.8	-16.9	0	0	0	117.6
692	M	37.8	Very low	37.6	Very low	151 Å²	151	157.3 Å²	157.3	74%	0.744	81%	0.806	S	S	*	*			trans	-87.1	155.9	-163.4	-92.3	-170.5	179	0	0	118.5
693	K	39.5	Very low	37.7	Very low	171 Å²	171	159.8 Å²	159.8	74%	0.743	81%	0.809	S	S	*	*			trans	66.6	127.8	138	-72.5	166.3	179.2	158.6	0	121.7
694	K	38.5	Very low	38.1	Very low	201 Å²	201	162.9 Å²	162.9	87%	0.874	81%	0.81	S	S	*	*				176.9	115	109.1	-91.7	159.2	-175.1	175.7	0	109.8
695	K	39.7	Very low	38.5	Very low	191 Å²	191	162.6 Å²	162.6	83%	0.83	81%	0.812	S	S	*	*				81.6	110.5	78.4	-106.7	-168.2	179.2	-178.1	0	117.3
696	K	36.8	Very low	38.9	Very low	175 Å²	175	165.3 Å²	165.3	76%	0.761	82%	0.822	S	S	*	*			trans	64.3	129.7	139.9	-78.2	-162.5	168.9	-154.9	0	123.6
697	K	52.9	Low	39.1	Very low	208 Å²	208	167.3 Å²	167.3	90%	0.904	83%	0.828	S	S	*	*				-167.6	144	127.9	-96.7	169.9	-175.3	177.9	0	106.8
698	K	44.8	Very low	39.8	Very low	261 Å²	261	173.3 Å²	173.3	100%	1.135	84%	0.839	S	S	*	*			cis	-102.6	0	-9.6	-88.9	177.6	170.1	177.9	0	109.7

Retrieved 698 of 698 residues in 688.8 ms (Link to these results)

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