A0A5K4EQU0_SCHMA Loading...

Syntaxin binding protein-1,2,3, putative

AlphaFold DB , UniProt , Accession A0A5K4EQU0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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	63.5	Low	85.2	Confident	139 Å²	139	42.6 Å²	42.6	69%	0.685	24%	0.237	S	C	*	.				0	134.9	0	-72	179.4	-80.8	0	0	107.5
2	S	82.4	Confident	85.6	Confident	22 Å²	22	47.8 Å²	47.8	15%	0.154	25%	0.25	C	S	.	.			trans	-88.9	125	178.1	174.8	0	0	0	0	108.6	I4 N5 E6 S137	S2-I4 PolarHBondContact O-N 3.19Å; S2-N5 PolarHBondContact O-N 2.93Å; S2-E6 PolarHBondContact O-N 3.21Å; S2-E6 VanDerWaalsContact O-N 3.16Å; S2-S137 WeakPolarHBondContact OG-CA 3.33Å; S2-S137 WeakPolarHBondContact OG-CB 3.23Å; S2-S137 PolarHBondContact OG-OG 3.23Å
3	L	84.5	Confident	85.7	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-55.6	-39.9	179.7	-176.3	67.5	0	0	0	111.9	N5 E6 V7 F132 P134 S137 Y140 L179	L3-N5 VanDerWaalsContact C-N 3.3Å; L3-N5 PolarHBondContact O-N 3.43Å; L3-E6 PolarHBondContact O-N 3.2Å; L3-V7 HydrophobicContact CG-CG2 4.46Å; L3-V7 VanDerWaalsContact O-CG2 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.33Å; L3-V7 PolarHBondContact O-N 3.44Å; L3-F132 HydrophobicContact CD1-CE2 3.8Å; L3-F132 HydrophobicContact CD1-CZ 3.98Å; L3-F132 HydrophobicContact CD2-CD2 4.3Å; L3-F132 HydrophobicContact CD2-CE2 3.76Å; L3-F132 HydrophobicContact CG-CE2 3.89Å; L3-P134 HydrophobicContact CD2-CB 4.01Å; L3-P134 HydrophobicContact CG-CB 4.08Å; L3-S137 WeakPolarHBondContact CB-O 3.42Å; L3-S137 PolarHBondContact N-O 2.7Å; L3-Y140 HydrophobicContact CD2-CD1 4.06Å; L3-Y140 HydrophobicContact CD2-CG 4.27Å; L3-L179 HydrophobicContact CD1-CD1 4.26Å; L3-L179 HydrophobicContact CD1-CD2 3.66Å; L3-L179 HydrophobicContact CD1-CG 3.86Å
4	I	88	Confident	85.8	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.195	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-44	177.3	-64.3	169.1	0	0	0	110.6	S2 A8 P134	S2-I4 PolarHBondContact O-N 3.19Å; I4-A8 VanDerWaalsContact O-CB 3.22Å; I4-A8 WeakPolarHBondContact O-CB 3.45Å; I4-A8 PolarHBondContact O-N 3.01Å; I4-P134 HydrophobicContact CG1-CB 3.85Å; I4-P134 HydrophobicContact CG1-CG 4.38Å
5	N	87.8	Confident	85.9	Confident	107 Å²	107	52.3 Å²	52.3	57%	0.572	26%	0.263	S	S	*	.	H	α-helix	trans	-69.3	-36.9	-178.8	-69.8	-16.7	0	0	0	112.2	S2 L3 A8 S9	S2-N5 PolarHBondContact O-N 2.93Å; L3-N5 VanDerWaalsContact C-N 3.3Å; L3-N5 PolarHBondContact O-N 3.43Å; N5-A8 PolarHBondContact O-N 3.07Å; N5-S9 WeakPolarHBondContact O-CB 3.3Å; N5-S9 PolarHBondContact O-N 3.27Å
6	E	86.8	Confident	86	Confident	57 Å²	57	49.1 Å²	49.1	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-67.7	-44.4	176.4	-66.7	-55.8	150.4	0	0	111.6	S2 L3 A8 S9 S10 T178	S2-E6 PolarHBondContact O-N 3.21Å; S2-E6 VanDerWaalsContact O-N 3.16Å; L3-E6 PolarHBondContact O-N 3.2Å; E6-A8 PolarHBondContact O-N 3.34Å; E6-S9 PolarHBondContact O-N 3.32Å; E6-S10 WeakPolarHBondContact O-CB 3.46Å; E6-S10 PolarHBondContact O-N 2.72Å; E6-T178 HydrophobicContact CB-CG2 4.08Å
7	V	88.6	Confident	86	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-46.7	174	176.6	0	0	0	0	110.4	L3 S9 S10 L11 V37 C41 F132 P134 T178	L3-V7 HydrophobicContact CG-CG2 4.46Å; L3-V7 VanDerWaalsContact O-CG2 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.33Å; L3-V7 PolarHBondContact O-N 3.44Å; V7-S9 PolarHBondContact O-N 3.49Å; V7-S10 PolarHBondContact O-N 3.37Å; V7-L11 HydrophobicContact CG1-CD1 3.91Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 WeakPolarHBondContact O-CG 3.14Å; V7-L11 PolarHBondContact O-N 3.31Å; V7-V37 HydrophobicContact CG1-CG1 4.09Å; V7-C41 VanDerWaalsContact CG1-SG 3.59Å; V7-F132 HydrophobicContact CG2-CE2 3.68Å; V7-F132 HydrophobicContact CG2-CZ 3.57Å; V7-P134 HydrophobicContact CB-CG 4.44Å; V7-P134 HydrophobicContact CG1-CG 4.45Å; V7-P134 HydrophobicContact CG2-CG 4.25Å; V7-T178 HydrophobicContact CG2-CG2 3.81Å
8	A	90.1	Very high	85.9	Confident	10 Å²	10	53.6 Å²	53.6	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-60.7	-44.7	177.6	0	0	0	0	0	112	I4 N5 E6 L11 R12 C41 F42	I4-A8 VanDerWaalsContact O-CB 3.22Å; I4-A8 WeakPolarHBondContact O-CB 3.45Å; I4-A8 PolarHBondContact O-N 3.01Å; N5-A8 PolarHBondContact O-N 3.07Å; E6-A8 PolarHBondContact O-N 3.34Å; A8-L11 PolarHBondContact O-N 3.09Å; A8-R12 VanDerWaalsContact O-CB 3.3Å; A8-R12 WeakPolarHBondContact O-CB 3.25Å; A8-R12 PolarHBondContact O-N 3.19Å; A8-C41 HydrophobicContact CB-CB 4.04Å; A8-F42 HydrophobicContact CB-CE2 4.14Å; A8-F42 HydrophobicContact CB-CZ 4.08Å; A8-F42 VanDerWaalsContact O-CZ 3.27Å; A8-F42 WeakPolarHBondContact O-CZ 3.42Å
9	S	88.6	Confident	85.8	Confident	64 Å²	64	50.9 Å²	50.9	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-45.3	177.2	-176	0	0	0	0	111.6	N5 E6 V7 R12 K13	N5-S9 WeakPolarHBondContact O-CB 3.3Å; N5-S9 PolarHBondContact O-N 3.27Å; E6-S9 PolarHBondContact O-N 3.32Å; V7-S9 PolarHBondContact O-N 3.49Å; S9-R12 PolarHBondContact O-N 2.96Å; S9-K13 WeakPolarHBondContact O-CB 3.09Å; S9-K13 PolarHBondContact O-N 2.83Å
10	S	87.4	Confident	85.5	Confident	24 Å²	24	51.7 Å²	51.7	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-47.3	177.3	-174	0	0	0	0	111.8	E6 V7 R12 K13 H14	E6-S10 WeakPolarHBondContact O-CB 3.46Å; E6-S10 PolarHBondContact O-N 2.72Å; V7-S10 PolarHBondContact O-N 3.37Å; S10-R12 PolarHBondContact O-N 3.36Å; S10-K13 PolarHBondContact O-N 3.24Å; S10-H14 WeakPolarHBondContact O-CB 3.01Å; S10-H14 PolarHBondContact O-N 2.81Å; S10-H14 PolarHBondContact O-ND1 3.21Å; S10-H14 PolarHBondContact OG-ND1 2.82Å
11	L	89.9	Confident	85.3	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-41.4	177.9	-73.7	174.2	0	0	0	111.9	V7 A8 V15 F16 V37 L38 F42 L128 V130	V7-L11 HydrophobicContact CG1-CD1 3.91Å; V7-L11 HydrophobicContact CG1-CG 4.4Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 WeakPolarHBondContact O-CG 3.14Å; V7-L11 PolarHBondContact O-N 3.31Å; A8-L11 PolarHBondContact O-N 3.09Å; L11-V15 HydrophobicContact CD2-CG2 4.08Å; L11-V15 WeakPolarHBondContact O-CA 3.37Å; L11-V15 VanDerWaalsContact O-CB 3.22Å; L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 PolarHBondContact O-N 3.25Å; L11-F16 PolarHBondContact O-N 2.97Å; L11-V37 HydrophobicContact CD1-CG1 4.33Å; L11-L38 HydrophobicContact CD1-CD1 4.16Å; L11-F42 HydrophobicContact CB-CE2 3.79Å; L11-F42 HydrophobicContact CB-CZ 4.12Å; L11-F42 HydrophobicContact CD1-CE2 3.94Å; L11-L128 HydrophobicContact CD2-CD1 3.76Å; L11-V130 HydrophobicContact CD2-CG2 4.18Å
12	R	90	Very high	86	Confident	104 Å²	104	52.5 Å²	52.5	39%	0.392	26%	0.263	S	S	.	.	I	π-helix	trans	-58.2	-51.9	175.7	-173.1	179.7	-63.7	157.5	0.2	111.4	A8 S9 S10 F16 E17 F42 Y50	A8-R12 VanDerWaalsContact O-CB 3.3Å; A8-R12 WeakPolarHBondContact O-CB 3.25Å; A8-R12 PolarHBondContact O-N 3.19Å; S9-R12 PolarHBondContact O-N 2.96Å; S10-R12 PolarHBondContact O-N 3.36Å; R12-F16 PolarHBondContact O-N 3.41Å; R12-E17 HydrophobicContact CG-CG 4.31Å; R12-E17 WeakPolarHBondContact O-CB 3.44Å; R12-E17 WeakPolarHBondContact O-CG 3.42Å; R12-E17 PolarHBondContact O-N 2.99Å; R12-F42 HydrophobicContact CB-CZ 4.34Å; R12-Y50 WeakPolarHBondContact CD-OH 3.44Å; R12-Y50 HydrophobicContact CG-CE1 4.46Å; R12-Y50 WeakPolarHBondContact CG-OH 3.49Å; R12-Y50 PolarHBondContact NE-OH 3.01Å
13	K	87	Confident	85.8	Confident	133 Å²	133	57.2 Å²	57.2	58%	0.578	29%	0.293	S	S	*	.	I	π-helix	trans	-67.1	-47.8	-177.2	-175.6	-179.9	177.5	-176.1	0	112.9	S9 S10	S9-K13 WeakPolarHBondContact O-CB 3.09Å; S9-K13 PolarHBondContact O-N 2.83Å; S10-K13 PolarHBondContact O-N 3.24Å
14	H	86.3	Confident	85.8	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.366	32%	0.317	S	S	.	.	I	π-helix	trans	-85.1	-32.4	-171	-63	106.9	0	0	0	113.4	S10 K18 F100 L128	S10-H14 WeakPolarHBondContact O-CB 3.01Å; S10-H14 PolarHBondContact O-N 2.81Å; S10-H14 PolarHBondContact O-ND1 3.21Å; S10-H14 PolarHBondContact OG-ND1 2.82Å; H14-K18 WeakPolarHBondContact O-CB 3.35Å; H14-F100 WeakPolarHBondContact O-CE1 3.44Å; H14-L128 HydrophobicContact CB-CD2 3.79Å
15	V	88.2	Confident	85.9	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-101.2	-69.9	-178.7	-172.6	0	0	0	0	110.2	L11 K18 V19 I70 I72 F100 L128	L11-V15 HydrophobicContact CD2-CG2 4.08Å; L11-V15 WeakPolarHBondContact O-CA 3.37Å; L11-V15 VanDerWaalsContact O-CB 3.22Å; L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 PolarHBondContact O-N 3.25Å; V15-K18 PolarHBondContact O-N 3.34Å; V15-V19 VanDerWaalsContact O-CB 3.25Å; V15-V19 WeakPolarHBondContact O-CB 3.37Å; V15-V19 WeakPolarHBondContact O-CG2 3.21Å; V15-V19 PolarHBondContact O-N 3.38Å; V15-I70 HydrophobicContact CG1-CG2 4.16Å; V15-I72 HydrophobicContact CG1-CD1 4.12Å; V15-F100 HydrophobicContact CB-CE1 4.34Å; V15-F100 HydrophobicContact CB-CZ 4.41Å; V15-F100 HydrophobicContact CG1-CD2 4.04Å; V15-F100 HydrophobicContact CG1-CE1 4.4Å; V15-F100 HydrophobicContact CG1-CE2 3.88Å; V15-F100 HydrophobicContact CG1-CG 4.38Å; V15-F100 HydrophobicContact CG1-CZ 4.06Å; V15-F100 HydrophobicContact CG2-CD1 3.85Å; V15-F100 HydrophobicContact CG2-CE1 4.08Å; V15-F100 HydrophobicContact CG2-CG 4.1Å; V15-L128 HydrophobicContact CG2-CD1 3.82Å; V15-L128 HydrophobicContact CG2-CD2 3.64Å; V15-L128 HydrophobicContact CG2-CG 4.35Å
16	F	87.5	Confident	86.1	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	31%	0.313	C	S	.	.	I	π-helix	trans	-70.1	-44.5	-163.6	-64.9	-58	0	0	0	113.6	L11 R12 V19 S20 L38 F42 I47 Y50 I52	L11-F16 PolarHBondContact O-N 2.97Å; R12-F16 PolarHBondContact O-N 3.41Å; F16-V19 PolarHBondContact O-N 3.31Å; F16-S20 VanDerWaalsContact O-CB 3.23Å; F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.19Å; F16-L38 HydrophobicContact CE2-CD1 3.88Å; F16-L38 HydrophobicContact CZ-CD1 3.69Å; F16-L38 HydrophobicContact CZ-CD2 4.33Å; F16-F42 HydrophobicContact CD2-CE1 4.26Å; F16-F42 HydrophobicContact CD2-CZ 4.06Å; F16-F42 HydrophobicContact CE2-CD1 4.45Å; F16-F42 HydrophobicContact CE2-CD2 4.27Å; F16-F42 HydrophobicContact CE2-CE1 4.12Å; F16-F42 AromaticContact CE2-CE2 3.92Å; F16-F42 HydrophobicContact CE2-CE2 3.92Å; F16-F42 AromaticContact CE2-CZ 3.82Å; F16-F42 HydrophobicContact CE2-CZ 3.82Å; F16-I47 HydrophobicContact CE1-CG2 4.3Å; F16-I47 HydrophobicContact CZ-CG1 4.36Å; F16-Y50 HydrophobicContact CB-CD1 3.67Å; F16-Y50 HydrophobicContact CB-CD2 3.8Å; F16-Y50 HydrophobicContact CB-CE1 3.92Å; F16-Y50 HydrophobicContact CB-CE2 4.07Å; F16-Y50 HydrophobicContact CB-CG 3.62Å; F16-Y50 HydrophobicContact CD1-CD2 4.16Å; F16-Y50 HydrophobicContact CD1-CG 4.31Å; F16-Y50 AromaticContact CG-CD2 3.92Å; F16-Y50 HydrophobicContact CG-CD2 3.92Å; F16-Y50 HydrophobicContact CG-CE2 4.27Å; F16-Y50 HydrophobicContact CG-CG 4.15Å; F16-I52 HydrophobicContact CD1-CD1 3.71Å; F16-I52 HydrophobicContact CE1-CD1 3.45Å; F16-I52 VanDerWaalsContact CE1-CD1 3.45Å
17	E	85.8	Confident	86.4	Confident	97 Å²	97	58.4 Å²	58.4	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-38.7	176.1	-73.8	177.5	-173.4	0	0	112	R12 V19	R12-E17 HydrophobicContact CG-CG 4.31Å; R12-E17 WeakPolarHBondContact O-CB 3.44Å; R12-E17 WeakPolarHBondContact O-CG 3.42Å; R12-E17 PolarHBondContact O-N 2.99Å; E17-V19 VanDerWaalsContact C-N 3.32Å; E17-V19 PolarHBondContact O-N 2.9Å
18	K	84.5	Confident	86.6	Confident	82 Å²	82	58.4 Å²	58.4	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-39.2	177.6	-169.9	169.8	-177.7	172	0	111.3	H14 V15 I126	H14-K18 WeakPolarHBondContact O-CB 3.35Å; V15-K18 PolarHBondContact O-N 3.34Å; K18-I126 HydrophobicContact CD-CD1 3.64Å
19	V	82.9	Confident	86.8	Confident	3 Å²	3	58 Å²	58	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-78.8	-32.6	-179.3	170	0	0	0	0	112.3	V15 F16 E17 K21 T22 K26 I70 F100	V15-V19 VanDerWaalsContact O-CB 3.25Å; V15-V19 WeakPolarHBondContact O-CB 3.37Å; V15-V19 WeakPolarHBondContact O-CG2 3.21Å; V15-V19 PolarHBondContact O-N 3.38Å; F16-V19 PolarHBondContact O-N 3.31Å; E17-V19 VanDerWaalsContact C-N 3.32Å; E17-V19 PolarHBondContact O-N 2.9Å; V19-K21 PolarHBondContact O-N 3.18Å; V19-T22 WeakPolarHBondContact O-CB 3.27Å; V19-T22 PolarHBondContact O-N 2.91Å; V19-K26 HydrophobicContact CG1-CD 3.17Å; V19-K26 VanDerWaalsContact CG1-CE 3.5Å; V19-K26 WeakPolarHBondContact O-CE 3.42Å; V19-K26 PolarHBondContact O-NZ 3.13Å; V19-I70 HydrophobicContact CG1-CD1 3.51Å; V19-I70 HydrophobicContact CG1-CG1 3.81Å; V19-I70 HydrophobicContact CG2-CG1 4.23Å; V19-F100 HydrophobicContact CG2-CE2 3.91Å; V19-F100 HydrophobicContact CG2-CZ 3.85Å
20	S	81.3	Confident	87.1	Confident	66 Å²	66	55.2 Å²	55.2	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-28.5	177	178.3	0	0	0	0	112.3	F16 T22	F16-S20 VanDerWaalsContact O-CB 3.23Å; F16-S20 WeakPolarHBondContact O-CB 3.41Å; F16-S20 PolarHBondContact O-N 3.19Å; S20-T22 PolarHBondContact O-N 3.14Å
21	K	80.7	Confident	87.4	Confident	174 Å²	174	54.1 Å²	54.1	76%	0.757	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.1	174.8	-64.3	-179	-176.3	-176.5	0	113.9	V19	V19-K21 PolarHBondContact O-N 3.18Å
22	T	78.6	Confident	87.5	Confident	33 Å²	33	58 Å²	58	20%	0.202	29%	0.29	C	S	.	.	S	Bend	trans	-82.1	119.4	175.7	-55.2	0	0	0	0	108.6	V19 S20 K26	V19-T22 WeakPolarHBondContact O-CB 3.27Å; V19-T22 PolarHBondContact O-N 2.91Å; S20-T22 PolarHBondContact O-N 3.14Å; T22-K26 WeakPolarHBondContact O-CE 3.37Å; T22-K26 PolarHBondContact O-NZ 2.92Å
23	P	78.6	Confident	87.5	Confident	121 Å²	121	53.2 Å²	53.2	79%	0.786	27%	0.273	S	S	*	.			trans	-66.1	147.5	178.8	27.8	-34	0	0	0	111.1
24	G	83.9	Confident	87.8	Confident	52 Å²	52	47 Å²	47	54%	0.536	25%	0.246	S	C	.	.	S	Bend	trans	101.4	166	175.6	0	0	0	0	0	114.7	K26	G24-K26 PolarHBondContact O-NZ 2.92Å
25	W	89.1	Confident	88.1	Confident	175 Å²	175	45.6 Å²	45.6	66%	0.663	24%	0.243	S	C	*	.			trans	-70.1	148.6	179.7	-59.2	119	0	0	0	111.5	T53 M67	W25-T53 HydrophobicContact CB-CG2 3.71Å; W25-T53 HydrophobicContact CD2-CG2 3.38Å; W25-T53 HydrophobicContact CE3-CG2 3.07Å; W25-T53 HydrophobicContact CG-CG2 3.7Å; W25-T53 HydrophobicContact CZ3-CG2 3.73Å; W25-M67 HydrophobicContact CB-CE 3.25Å; W25-M67 HydrophobicContact CB-SD 4.43Å; W25-M67 HydrophobicContact CG-CE 4.49Å; W25-M67 WeakPolarHBondContact O-CE 3.45Å
26	K	92.2	Very high	88.2	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.6	-176.3	-53.5	-179.2	-170.2	68.9	0	112	V19 T22 G24 G51 I52 T53 H68 I70	V19-K26 HydrophobicContact CG1-CD 3.17Å; V19-K26 VanDerWaalsContact CG1-CE 3.5Å; V19-K26 WeakPolarHBondContact O-CE 3.42Å; V19-K26 PolarHBondContact O-NZ 3.13Å; T22-K26 WeakPolarHBondContact O-CE 3.37Å; T22-K26 PolarHBondContact O-NZ 2.92Å; G24-K26 PolarHBondContact O-NZ 2.92Å; K26-G51 PolarHBondContact N-O 3.09Å; K26-I52 WeakPolarHBondContact O-CA 3.41Å; K26-T53 PolarHBondContact O-N 3.2Å; K26-T53 PolarHBondContact O-OG1 2.81Å; K26-H68 VanDerWaalsContact CA-O 3.28Å; K26-H68 WeakPolarHBondContact CA-O 3.37Å; K26-H68 WeakPolarHBondContact CB-O 3.22Å; K26-H68 HydrophobicContact CG-CB 4.22Å; K26-I70 HydrophobicContact CB-CD1 3.86Å; K26-I70 HydrophobicContact CB-CG1 4.44Å; K26-I70 HydrophobicContact CD-CD1 4Å; K26-I70 HydrophobicContact CD-CG1 4.37Å
27	V	92.8	Very high	88.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.2	174.4	-174.5	0	0	0	0	108.3	I29 L54 E56 L65 M67 H68 A69 I70 Y94	V27-I29 HydrophobicContact CG1-CG1 4.08Å; V27-L54 WeakPolarHBondContact CA-O 3.43Å; V27-L54 HydrophobicContact CG1-CB 4.17Å; V27-L54 HydrophobicContact CG1-CD2 4.12Å; V27-L54 HydrophobicContact CG1-CG 4.28Å; V27-L54 HydrophobicContact CG2-CB 4.36Å; V27-E56 HydrophobicContact CG1-CG 4.27Å; V27-L65 HydrophobicContact CG2-CD1 3.77Å; V27-M67 HydrophobicContact CG2-CB 4.48Å; V27-M67 HydrophobicContact CG2-CE 4.13Å; V27-H68 PolarHBondContact N-O 2.75Å; V27-A69 CarbonylContact O-C 3.59Å; V27-A69 WeakPolarHBondContact O-CA 3.4Å; V27-I70 PolarHBondContact O-N 3.49Å; V27-Y94 HydrophobicContact CB-CE1 4.13Å; V27-Y94 HydrophobicContact CG1-CE1 4.28Å; V27-Y94 HydrophobicContact CG2-CE1 4.12Å
28	L	94.1	Very high	88.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.5	173.8	175.5	63.7	0	0	0	108.9	M30 L38 I47 I52 L54 V55 E56 I70 I72	L28-M30 HydrophobicContact CD1-CG 4.1Å; L28-M30 HydrophobicContact CD1-SD 4.44Å; L28-M30 HydrophobicContact CD2-CE 4.3Å; L28-M30 HydrophobicContact CD2-CG 4.4Å; L28-M30 HydrophobicContact CD2-SD 3.87Å; L28-M30 HydrophobicContact CG-CG 3.95Å; L28-M30 HydrophobicContact CG-SD 4.09Å; L28-L38 HydrophobicContact CD2-CD2 3.62Å; L28-I47 HydrophobicContact CD2-CG2 4.13Å; L28-I52 HydrophobicContact CB-CD1 4.39Å; L28-I52 HydrophobicContact CB-CG2 3.64Å; L28-I52 HydrophobicContact CD2-CD1 4.41Å; L28-L54 PolarHBondContact N-O 2.87Å; L28-V55 HydrophobicContact CB-CG2 4.32Å; L28-V55 HydrophobicContact CD2-CG1 4.3Å; L28-V55 HydrophobicContact CD2-CG2 4.25Å; L28-V55 HydrophobicContact CG-CG1 4.46Å; L28-V55 CarbonylContact O-C 3.53Å; L28-V55 VanDerWaalsContact O-CA 3.29Å; L28-V55 WeakPolarHBondContact O-CA 3.13Å; L28-E56 PolarHBondContact O-N 2.99Å; L28-I70 CarbonylContact C-O 3.57Å; L28-I70 HydrophobicContact CD1-CB 4.02Å; L28-I70 HydrophobicContact CD1-CG2 3.8Å; L28-I72 HydrophobicContact CD1-CD1 3.72Å; L28-I72 HydrophobicContact CD1-CG1 3.88Å
29	I	94.6	Very high	89	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.3	-178.5	-56.8	164.5	0	0	0	107.7	V27 E56 L58 A69 I70 Y71 I72 Y94	V27-I29 HydrophobicContact CG1-CG1 4.08Å; I29-E56 WeakPolarHBondContact CA-O 3.4Å; I29-L58 HydrophobicContact CG2-CB 4.09Å; I29-L58 HydrophobicContact CG2-CD1 3.66Å; I29-A69 HydrophobicContact CD1-CB 3.77Å; I29-I70 PolarHBondContact N-O 3.29Å; I29-Y71 HydrophobicContact CB-CD1 3.88Å; I29-Y71 HydrophobicContact CB-CE1 4.04Å; I29-Y71 HydrophobicContact CB-CG 4.44Å; I29-Y71 HydrophobicContact CD1-CD1 4.08Å; I29-Y71 HydrophobicContact CD1-CE1 3.45Å; I29-Y71 VanDerWaalsContact CD1-CE1 3.45Å; I29-Y71 HydrophobicContact CD1-CE2 3.98Å; I29-Y71 HydrophobicContact CG1-CE1 4.37Å; I29-Y71 HydrophobicContact CG2-CD1 3.85Å; I29-Y71 HydrophobicContact CG2-CE1 3.86Å; I29-Y71 CarbonylContact O-C 3.5Å; I29-Y71 WeakPolarHBondContact O-CA 3.26Å; I29-I72 PolarHBondContact O-N 3.18Å; I29-Y94 HydrophobicContact CD1-CD2 4.14Å; I29-Y94 HydrophobicContact CD1-CE1 4.37Å; I29-Y94 HydrophobicContact CD1-CE2 3.31Å; I29-Y94 VanDerWaalsContact CD1-CZ 3.44Å; I29-Y94 WeakPolarHBondContact CD1-OH 3.37Å
30	M	94.8	Very high	89.2	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.8	-174.3	-61.6	-174.9	-60.1	0	0	112.1	L28 A34 T35 L38 V55 E56 S57 L58 I72	L28-M30 HydrophobicContact CD1-CG 4.1Å; L28-M30 HydrophobicContact CD1-SD 4.44Å; L28-M30 HydrophobicContact CD2-CE 4.3Å; L28-M30 HydrophobicContact CD2-CG 4.4Å; L28-M30 HydrophobicContact CD2-SD 3.87Å; L28-M30 HydrophobicContact CG-CG 3.95Å; L28-M30 HydrophobicContact CG-SD 4.09Å; M30-A34 HydrophobicContact CB-CB 4.01Å; M30-A34 HydrophobicContact CG-CB 4.34Å; M30-T35 WeakPolarHBondContact CB-OG1 3.36Å; M30-T35 HydrophobicContact CE-CG2 4.3Å; M30-L38 HydrophobicContact CE-CD2 4.04Å; M30-L38 HydrophobicContact SD-CB 4.03Å; M30-L38 HydrophobicContact SD-CD2 3.38Å; M30-L38 WeakPolarHBondContact SD-CD2 3.41Å; M30-L38 HydrophobicContact SD-CG 4.33Å; M30-V55 HydrophobicContact CE-CG1 3.43Å; M30-V55 VanDerWaalsContact CE-CG1 3.43Å; M30-E56 PolarHBondContact N-O 3.5Å; M30-S57 CarbonylContact O-C 3.56Å; M30-S57 WeakPolarHBondContact O-CA 3.31Å; M30-L58 PolarHBondContact O-N 3Å; M30-I72 VanDerWaalsContact CA-O 3.3Å; M30-I72 WeakPolarHBondContact CA-O 3.48Å; M30-I72 HydrophobicContact CG-CB 4.27Å
31	D	93.7	Very high	89.5	Confident	2 Å²	2	47 Å²	47	1%	0.011	25%	0.254	C	S	.	.			trans	-75.6	174.3	162.2	73.2	-4.3	0	0	0	110.8	A33 A34 T35 L58 I72 M73 R74 E79	D31-A33 PolarHBondContact O-N 3.43Å; D31-A33 PolarHBondContact OD1-N 2.89Å; D31-A34 PolarHBondContact O-N 3.49Å; D31-A34 WeakPolarHBondContact OD1-CB 3.28Å; D31-A34 PolarHBondContact OD1-N 3.32Å; D31-T35 WeakPolarHBondContact O-CB 3.4Å; D31-T35 PolarHBondContact O-N 2.84Å; D31-T35 PolarHBondContact O-OG1 3.26Å; D31-L58 HydrophobicContact CB-CD2 4.47Å; D31-I72 PolarHBondContact N-O 2.92Å; D31-M73 HydrophobicContact CB-CB 4.16Å; D31-R74 WeakPolarHBondContact OD2-CB 3.39Å; D31-R74 PolarHBondContact OD2-N 3.28Å; D31-E79 HydrophobicContact CB-CG 4.21Å
32	D	92.1	Very high	89.9	Confident	84 Å²	84	39.2 Å²	39.2	45%	0.449	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-33.3	-177.3	-63	-20.4	0	0	0	112	R36 N59	D32-R36 WeakPolarHBondContact O-CG 3.22Å; D32-R36 PolarHBondContact O-N 2.78Å; D32-N59 PolarHBondContact OD1-ND2 3.34Å; D32-N59 PolarHBondContact OD2-ND2 3.25Å
33	A	89.8	Confident	90.4	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-51.7	178.9	0	0	0	0	0	111.2	D31 T35 R36 V37 R74 L102	D31-A33 PolarHBondContact O-N 3.43Å; D31-A33 PolarHBondContact OD1-N 2.89Å; A33-T35 PolarHBondContact O-N 2.91Å; A33-R36 PolarHBondContact O-N 2.87Å; A33-V37 WeakPolarHBondContact O-CG2 3.29Å; A33-V37 PolarHBondContact O-N 3Å; A33-R74 HydrophobicContact CB-CG 4.19Å; A33-L102 HydrophobicContact CB-CD1 4.14Å
34	A	92.5	Very high	90.7	Very high	2 Å²	2	44 Å²	44	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-38.5	176.6	0	0	0	0	0	111.5	M30 D31 R36 V37 L38 I72 L102	M30-A34 HydrophobicContact CB-CB 4.01Å; M30-A34 HydrophobicContact CG-CB 4.34Å; D31-A34 PolarHBondContact O-N 3.49Å; D31-A34 WeakPolarHBondContact OD1-CB 3.28Å; D31-A34 PolarHBondContact OD1-N 3.32Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.39Å; A34-V37 PolarHBondContact O-N 3.47Å; A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.28Å; A34-I72 HydrophobicContact CB-CB 4.02Å; A34-I72 HydrophobicContact CB-CG2 3.66Å; A34-I72 WeakPolarHBondContact CB-O 3.37Å; A34-L102 HydrophobicContact CB-CD1 4.01Å; A34-L102 HydrophobicContact CB-CD2 4.47Å; A34-L102 HydrophobicContact CB-CG 4.49Å
35	T	92.7	Very high	90.9	Very high	51 Å²	51	48.2 Å²	48.2	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-43.2	175.3	-58.9	0	0	0	0	111.3	M30 D31 A33 S39	M30-T35 WeakPolarHBondContact CB-OG1 3.36Å; M30-T35 HydrophobicContact CE-CG2 4.3Å; D31-T35 WeakPolarHBondContact O-CB 3.4Å; D31-T35 PolarHBondContact O-N 2.84Å; D31-T35 PolarHBondContact O-OG1 3.26Å; A33-T35 PolarHBondContact O-N 2.91Å; T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.39Å; T35-S39 PolarHBondContact O-OG 2.88Å
36	R	91	Very high	90.8	Very high	129 Å²	129	42.2 Å²	42.2	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-70.8	-41.4	178.3	-66.5	170.6	-171.4	-129.4	-3.5	112.7	D32 A33 A34 L38 S39 S40 I133 E143	D32-R36 WeakPolarHBondContact O-CG 3.22Å; D32-R36 PolarHBondContact O-N 2.78Å; A33-R36 PolarHBondContact O-N 2.87Å; A34-R36 VanDerWaalsContact C-N 3.3Å; A34-R36 PolarHBondContact O-N 3.39Å; R36-L38 VanDerWaalsContact C-N 3.34Å; R36-S39 WeakPolarHBondContact CA-OG 3.45Å; R36-S39 PolarHBondContact O-OG 2.98Å; R36-S39 VanDerWaalsContact O-OG 3.12Å; R36-S40 WeakPolarHBondContact O-CB 3.34Å; R36-S40 PolarHBondContact O-N 3.05Å; R36-S40 PolarHBondContact O-OG 2.82Å; R36-I133 HydrophobicContact CB-CD1 3.51Å; R36-I133 HydrophobicContact CB-CG1 4.07Å; R36-I133 HydrophobicContact CG-CD1 4.16Å; R36-E143 WeakPolarHBondContact CD-OE1 3.38Å; R36-E143 IonicContact CZ-OE1 3.45Å; R36-E143 IonicContact NE-OE1 3.66Å; R36-E143 PolarHBondContact NE-OE1 2.88Å; R36-E143 IonicContact NH1-OE1 3.55Å; R36-E143 PolarHBondContact NH1-OE1 2.86Å
37	V	91.1	Very high	90.6	Very high	3 Å²	3	42 Å²	42	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-47.1	176.4	177.2	0	0	0	0	110.1	V7 L11 A33 A34 S40 C41 F132 I133	V7-V37 HydrophobicContact CG1-CG1 4.09Å; L11-V37 HydrophobicContact CD1-CG1 4.33Å; A33-V37 WeakPolarHBondContact O-CG2 3.29Å; A33-V37 PolarHBondContact O-N 3Å; A34-V37 PolarHBondContact O-N 3.47Å; V37-S40 PolarHBondContact O-N 2.87Å; V37-C41 PolarHBondContact O-SG 2.83Å; V37-C41 VanDerWaalsContact O-SG 3.36Å; V37-F132 VanDerWaalsContact CG2-O 3.26Å; V37-F132 WeakPolarHBondContact CG2-O 3.09Å; V37-I133 HydrophobicContact CG2-CG1 4.16Å
38	L	91.5	Very high	90.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-42.6	-177.2	-167.5	71.9	0	0	0	112.1	L11 F16 L28 M30 A34 R36 S40 C41 F42 I47	L11-L38 HydrophobicContact CD1-CD1 4.16Å; F16-L38 HydrophobicContact CE2-CD1 3.88Å; F16-L38 HydrophobicContact CZ-CD1 3.69Å; F16-L38 HydrophobicContact CZ-CD2 4.33Å; L28-L38 HydrophobicContact CD2-CD2 3.62Å; M30-L38 HydrophobicContact CE-CD2 4.04Å; M30-L38 HydrophobicContact SD-CB 4.03Å; M30-L38 HydrophobicContact SD-CD2 3.38Å; M30-L38 WeakPolarHBondContact SD-CD2 3.41Å; M30-L38 HydrophobicContact SD-CG 4.33Å; A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.28Å; R36-L38 VanDerWaalsContact C-N 3.34Å; L38-S40 PolarHBondContact O-N 3.16Å; L38-C41 PolarHBondContact O-N 3.49Å; L38-C41 VanDerWaalsContact O-N 3.07Å; L38-F42 HydrophobicContact CD1-CB 4.46Å; L38-F42 HydrophobicContact CD1-CD2 3.46Å; L38-F42 VanDerWaalsContact CD1-CD2 3.46Å; L38-F42 HydrophobicContact CD1-CE2 3.98Å; L38-F42 HydrophobicContact CD1-CG 4.21Å; L38-F42 HydrophobicContact CG-CD2 4.32Å; L38-F42 PolarHBondContact O-N 2.83Å; L38-I47 HydrophobicContact CD2-CD1 3.64Å; L38-I47 HydrophobicContact CD2-CG1 4.48Å; L38-I47 HydrophobicContact CG-CD1 4.14Å
39	S	90.5	Very high	90	Very high	76 Å²	76	53 Å²	53	53%	0.531	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-23.6	178.5	67.4	0	0	0	0	113.4	T35 R36 C41	T35-S39 WeakPolarHBondContact O-CB 3.43Å; T35-S39 PolarHBondContact O-N 3.39Å; T35-S39 PolarHBondContact O-OG 2.88Å; R36-S39 WeakPolarHBondContact CA-OG 3.45Å; R36-S39 PolarHBondContact O-OG 2.98Å; R36-S39 VanDerWaalsContact O-OG 3.12Å; S39-C41 VanDerWaalsContact C-N 3.34Å
40	S	87.6	Confident	89.6	Confident	44 Å²	44	55 Å²	55	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-76.2	-22.5	175	-55.4	0	0	0	0	112.8	R36 V37 L38 P134	R36-S40 WeakPolarHBondContact O-CB 3.34Å; R36-S40 PolarHBondContact O-N 3.05Å; R36-S40 PolarHBondContact O-OG 2.82Å; V37-S40 PolarHBondContact O-N 2.87Å; L38-S40 PolarHBondContact O-N 3.16Å; S40-P134 WeakPolarHBondContact CB-O 3.28Å
41	C	88.1	Confident	89.2	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-112.7	-27.1	-170.9	-60.7	0	0	0	0	114.2	V7 A8 V37 L38 S39	V7-C41 VanDerWaalsContact CG1-SG 3.59Å; A8-C41 HydrophobicContact CB-CB 4.04Å; V37-C41 PolarHBondContact O-SG 2.83Å; V37-C41 VanDerWaalsContact O-SG 3.36Å; L38-C41 PolarHBondContact O-N 3.49Å; L38-C41 VanDerWaalsContact O-N 3.07Å; S39-C41 VanDerWaalsContact C-N 3.34Å
42	F	89.3	Confident	89.1	Confident	11 Å²	11	55.6 Å²	55.6	5%	0.048	29%	0.286	C	S	.	.			trans	-132.4	145.2	-172.4	-67.8	-89.9	0	0	0	112.4	A8 L11 R12 F16 L38 D46 I47	A8-F42 HydrophobicContact CB-CE2 4.14Å; A8-F42 HydrophobicContact CB-CZ 4.08Å; A8-F42 VanDerWaalsContact O-CZ 3.27Å; A8-F42 WeakPolarHBondContact O-CZ 3.42Å; L11-F42 HydrophobicContact CB-CE2 3.79Å; L11-F42 HydrophobicContact CB-CZ 4.12Å; L11-F42 HydrophobicContact CD1-CE2 3.94Å; R12-F42 HydrophobicContact CB-CZ 4.34Å; F16-F42 HydrophobicContact CD2-CE1 4.26Å; F16-F42 HydrophobicContact CD2-CZ 4.06Å; F16-F42 HydrophobicContact CE2-CD1 4.45Å; F16-F42 HydrophobicContact CE2-CD2 4.27Å; F16-F42 HydrophobicContact CE2-CE1 4.12Å; F16-F42 AromaticContact CE2-CE2 3.92Å; F16-F42 HydrophobicContact CE2-CE2 3.92Å; F16-F42 AromaticContact CE2-CZ 3.82Å; F16-F42 HydrophobicContact CE2-CZ 3.82Å; L38-F42 HydrophobicContact CD1-CB 4.46Å; L38-F42 HydrophobicContact CD1-CD2 3.46Å; L38-F42 VanDerWaalsContact CD1-CD2 3.46Å; L38-F42 HydrophobicContact CD1-CE2 3.98Å; L38-F42 HydrophobicContact CD1-CG 4.21Å; L38-F42 HydrophobicContact CG-CD2 4.32Å; L38-F42 PolarHBondContact O-N 2.83Å; F42-D46 HydrophobicContact CD1-CB 4.02Å; F42-I47 HydrophobicContact CB-CD1 4.24Å; F42-I47 HydrophobicContact CB-CG1 4.08Å
43	K	88.6	Confident	89	Confident	146 Å²	146	55 Å²	55	64%	0.635	29%	0.286	S	S	*	.			trans	-86.5	158	165.5	-62.9	179	-177.4	175.8	0	109.6	Q45 D46 I47	K43-Q45 PolarHBondContact O-N 3.33Å; K43-D46 PolarHBondContact N-OD2 3.27Å; K43-D46 WeakPolarHBondContact O-CB 3.46Å; K43-D46 PolarHBondContact O-N 3.07Å; K43-D46 VanDerWaalsContact O-N 3.13Å; K43-I47 PolarHBondContact O-N 2.97Å
44	M	85.4	Confident	89	Confident	108 Å²	108	58 Å²	58	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-57	-34.2	177	-70.1	-63.6	115.1	0	0	112.7	I47 T48	M44-I47 HydrophobicContact CE-CD1 3.74Å; M44-I47 PolarHBondContact O-N 3.39Å; M44-I47 HydrophobicContact SD-CD1 4.41Å; M44-T48 WeakPolarHBondContact O-CG2 3.38Å; M44-T48 PolarHBondContact O-N 3.35Å; M44-T48 VanDerWaalsContact O-N 3.14Å; M44-T48 PolarHBondContact O-OG1 3.32Å
45	Q	87.4	Confident	89	Confident	140 Å²	140	60.6 Å²	60.6	65%	0.654	32%	0.316	S	S	*	.	H	α-helix	trans	-60.7	-46.8	177.3	-68.4	174.2	-18.3	0	0	111.5	K43 I47 T48 E49	K43-Q45 PolarHBondContact O-N 3.33Å; Q45-I47 PolarHBondContact O-N 2.82Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q45-T48 PolarHBondContact O-OG1 3.31Å; Q45-E49 PolarHBondContact O-N 3.25Å
46	D	87.4	Confident	89	Confident	50 Å²	50	59.9 Å²	59.9	27%	0.267	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-38.1	179.7	-49.6	-36	0	0	0	111.3	F42 K43 Y50	F42-D46 HydrophobicContact CD1-CB 4.02Å; K43-D46 PolarHBondContact N-OD2 3.27Å; K43-D46 WeakPolarHBondContact O-CB 3.46Å; K43-D46 PolarHBondContact O-N 3.07Å; K43-D46 VanDerWaalsContact O-N 3.13Å; D46-Y50 WeakPolarHBondContact O-CD2 3.25Å; D46-Y50 WeakPolarHBondContact O-CE2 3.42Å
47	I	87.7	Confident	89.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-70	-40.8	-178.7	-61.2	167.9	0	0	0	110.6	F16 L28 L38 F42 K43 M44 Q45 E49 Y50 I52	F16-I47 HydrophobicContact CE1-CG2 4.3Å; F16-I47 HydrophobicContact CZ-CG1 4.36Å; L28-I47 HydrophobicContact CD2-CG2 4.13Å; L38-I47 HydrophobicContact CD2-CD1 3.64Å; L38-I47 HydrophobicContact CD2-CG1 4.48Å; L38-I47 HydrophobicContact CG-CD1 4.14Å; F42-I47 HydrophobicContact CB-CD1 4.24Å; F42-I47 HydrophobicContact CB-CG1 4.08Å; K43-I47 PolarHBondContact O-N 2.97Å; M44-I47 HydrophobicContact CE-CD1 3.74Å; M44-I47 PolarHBondContact O-N 3.39Å; M44-I47 HydrophobicContact SD-CD1 4.41Å; Q45-I47 PolarHBondContact O-N 2.82Å; I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 PolarHBondContact O-N 2.81Å; I47-Y50 PolarHBondContact O-N 3.34Å; I47-I52 HydrophobicContact CG2-CB 3.88Å; I47-I52 HydrophobicContact CG2-CD1 3.52Å; I47-I52 HydrophobicContact CG2-CG1 4.3Å; I47-I52 HydrophobicContact CG2-CG2 3.87Å
48	T	87.3	Confident	89.1	Confident	80 Å²	80	55 Å²	55	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-65.1	-28.5	-179.5	53.7	0	0	0	0	113.4	M44 Q45 Y50 G51	M44-T48 WeakPolarHBondContact O-CG2 3.38Å; M44-T48 PolarHBondContact O-N 3.35Å; M44-T48 VanDerWaalsContact O-N 3.14Å; M44-T48 PolarHBondContact O-OG1 3.32Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q45-T48 PolarHBondContact O-OG1 3.31Å; T48-Y50 PolarHBondContact O-N 3.09Å; T48-G51 PolarHBondContact O-N 3.22Å; T48-G51 VanDerWaalsContact O-N 3.07Å
49	E	86.7	Confident	88.9	Confident	150 Å²	150	59.4 Å²	59.4	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.3	176.5	-69.4	178.2	179.1	0	0	112.8	Q45 I47 G51	Q45-E49 PolarHBondContact O-N 3.25Å; I47-E49 VanDerWaalsContact C-N 3.27Å; I47-E49 PolarHBondContact O-N 2.81Å; E49-G51 VanDerWaalsContact C-N 3.29Å; E49-G51 PolarHBondContact O-N 2.9Å
50	Y	86.2	Confident	88.7	Confident	43 Å²	43	59.1 Å²	59.1	17%	0.169	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	11.1	177.1	-59.2	-78	0	0	0	114	R12 F16 D46 I47 T48	R12-Y50 WeakPolarHBondContact CD-OH 3.44Å; R12-Y50 HydrophobicContact CG-CE1 4.46Å; R12-Y50 WeakPolarHBondContact CG-OH 3.49Å; R12-Y50 PolarHBondContact NE-OH 3.01Å; F16-Y50 HydrophobicContact CB-CD1 3.67Å; F16-Y50 HydrophobicContact CB-CD2 3.8Å; F16-Y50 HydrophobicContact CB-CE1 3.92Å; F16-Y50 HydrophobicContact CB-CE2 4.07Å; F16-Y50 HydrophobicContact CB-CG 3.62Å; F16-Y50 HydrophobicContact CD1-CD2 4.16Å; F16-Y50 HydrophobicContact CD1-CG 4.31Å; F16-Y50 AromaticContact CG-CD2 3.92Å; F16-Y50 HydrophobicContact CG-CD2 3.92Å; F16-Y50 HydrophobicContact CG-CE2 4.27Å; F16-Y50 HydrophobicContact CG-CG 4.15Å; D46-Y50 WeakPolarHBondContact O-CD2 3.25Å; D46-Y50 WeakPolarHBondContact O-CE2 3.42Å; I47-Y50 PolarHBondContact O-N 3.34Å; T48-Y50 PolarHBondContact O-N 3.09Å
51	G	87	Confident	88.4	Confident	17 Å²	17	67.1 Å²	67.1	18%	0.175	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	21.6	177.4	0	0	0	0	0	114.3	K26 T48 E49	K26-G51 PolarHBondContact N-O 3.09Å; T48-G51 PolarHBondContact O-N 3.22Å; T48-G51 VanDerWaalsContact O-N 3.07Å; E49-G51 VanDerWaalsContact C-N 3.29Å; E49-G51 PolarHBondContact O-N 2.9Å
52	I	91.1	Very high	88.2	Confident	3 Å²	3	68 Å²	68	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.6	173.3	-64.7	163.6	0	0	0	108.2	F16 K26 L28 I47 V55 I70	F16-I52 HydrophobicContact CD1-CD1 3.71Å; F16-I52 HydrophobicContact CE1-CD1 3.45Å; F16-I52 VanDerWaalsContact CE1-CD1 3.45Å; K26-I52 WeakPolarHBondContact O-CA 3.41Å; L28-I52 HydrophobicContact CB-CD1 4.39Å; L28-I52 HydrophobicContact CB-CG2 3.64Å; L28-I52 HydrophobicContact CD2-CD1 4.41Å; I47-I52 HydrophobicContact CG2-CB 3.88Å; I47-I52 HydrophobicContact CG2-CD1 3.52Å; I47-I52 HydrophobicContact CG2-CG1 4.3Å; I47-I52 HydrophobicContact CG2-CG2 3.87Å; I52-V55 HydrophobicContact CG2-CG2 4.21Å; I52-I70 HydrophobicContact CD1-CD1 3.92Å; I52-I70 HydrophobicContact CG1-CD1 3.8Å
53	T	89.2	Confident	87.9	Confident	72 Å²	72	74.5 Å²	74.5	44%	0.442	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-27.8	-177.3	51.9	0	0	0	0	113.3	W25 K26 M67	W25-T53 HydrophobicContact CB-CG2 3.71Å; W25-T53 HydrophobicContact CD2-CG2 3.38Å; W25-T53 HydrophobicContact CE3-CG2 3.07Å; W25-T53 HydrophobicContact CG-CG2 3.7Å; W25-T53 HydrophobicContact CZ3-CG2 3.73Å; K26-T53 PolarHBondContact O-N 3.2Å; K26-T53 PolarHBondContact O-OG1 2.81Å; T53-M67 WeakPolarHBondContact OG1-CE 3.37Å
54	L	91	Very high	87.7	Confident	67 Å²	67	74 Å²	74	35%	0.351	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.7	-172.2	-174.8	67.3	0	0	0	109	V27 L28 E56 L65	V27-L54 WeakPolarHBondContact CA-O 3.43Å; V27-L54 HydrophobicContact CG1-CB 4.17Å; V27-L54 HydrophobicContact CG1-CD2 4.12Å; V27-L54 HydrophobicContact CG1-CG 4.28Å; V27-L54 HydrophobicContact CG2-CB 4.36Å; L28-L54 PolarHBondContact N-O 2.87Å; L54-E56 HydrophobicContact CD1-CG 4.46Å; L54-E56 HydrophobicContact CD2-CG 3.71Å; L54-E56 HydrophobicContact CG-CG 3.77Å; L54-L65 HydrophobicContact CD2-CD1 3.91Å
55	V	91.6	Very high	87.8	Confident	55 Å²	55	71.1 Å²	71.1	33%	0.333	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.1	173.7	-175.4	0	0	0	0	107.4	L28 M30 I52	L28-V55 HydrophobicContact CB-CG2 4.32Å; L28-V55 HydrophobicContact CD2-CG1 4.3Å; L28-V55 HydrophobicContact CD2-CG2 4.25Å; L28-V55 HydrophobicContact CG-CG1 4.46Å; L28-V55 CarbonylContact O-C 3.53Å; L28-V55 VanDerWaalsContact O-CA 3.29Å; L28-V55 WeakPolarHBondContact O-CA 3.13Å; M30-V55 HydrophobicContact CE-CG1 3.43Å; M30-V55 VanDerWaalsContact CE-CG1 3.43Å; I52-V55 HydrophobicContact CG2-CG2 4.21Å
56	E	92.8	Very high	87.7	Confident	36 Å²	36	71.8 Å²	71.8	17%	0.168	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.6	-179.8	-60.2	-167.2	109.8	0	0	111	V27 L28 I29 M30 L54 Y94	V27-E56 HydrophobicContact CG1-CG 4.27Å; L28-E56 PolarHBondContact O-N 2.99Å; I29-E56 WeakPolarHBondContact CA-O 3.4Å; M30-E56 PolarHBondContact N-O 3.5Å; L54-E56 HydrophobicContact CD1-CG 4.46Å; L54-E56 HydrophobicContact CD2-CG 3.71Å; L54-E56 HydrophobicContact CG-CG 3.77Å; E56-Y94 PolarHBondContact OE2-OH 2.89Å; E56-Y94 VanDerWaalsContact OE2-OH 3.05Å
57	S	92.8	Very high	87.8	Confident	29 Å²	29	71.5 Å²	71.5	20%	0.203	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.4	168.1	175.4	0	0	0	0	110.2	M30 N59 C60	M30-S57 CarbonylContact O-C 3.56Å; M30-S57 WeakPolarHBondContact O-CA 3.31Å; S57-N59 PolarHBondContact O-N 3.42Å; S57-N59 PolarHBondContact OG-N 3.03Å; S57-C60 PolarHBondContact O-N 2.97Å; S57-C60 VanDerWaalsContact O-N 3.15Å
58	L	91.5	Very high	88	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.01	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	173.6	-168.2	69.3	0	0	0	112.4	I29 M30 D31 C60 R62 Y71 M73 E79 L82	I29-L58 HydrophobicContact CG2-CB 4.09Å; I29-L58 HydrophobicContact CG2-CD1 3.66Å; M30-L58 PolarHBondContact O-N 3Å; D31-L58 HydrophobicContact CB-CD2 4.47Å; L58-C60 VanDerWaalsContact C-N 3.35Å; L58-R62 PolarHBondContact O-NH1 2.83Å; L58-Y71 HydrophobicContact CD1-CD1 3.99Å; L58-Y71 HydrophobicContact CD1-CE1 3.96Å; L58-M73 HydrophobicContact CD2-CB 4.46Å; L58-M73 HydrophobicContact CD2-SD 3.93Å; L58-E79 HydrophobicContact CD2-CB 3.67Å; L58-E79 HydrophobicContact CD2-CG 3.68Å; L58-L82 HydrophobicContact CD1-CB 4.17Å; L58-L82 HydrophobicContact CD2-CB 4.33Å; L58-L82 HydrophobicContact CD2-CD1 4.31Å; L58-L82 HydrophobicContact CG-CB 4.01Å; L58-L82 HydrophobicContact CG-CD1 4.05Å
59	N	88.3	Confident	88.3	Confident	95 Å²	95	70 Å²	70	51%	0.508	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.8	179.8	-65.5	-40.7	0	0	0	113.3	D32 S57	D32-N59 PolarHBondContact OD1-ND2 3.34Å; D32-N59 PolarHBondContact OD2-ND2 3.25Å; S57-N59 PolarHBondContact O-N 3.42Å; S57-N59 PolarHBondContact OG-N 3.03Å
60	C	86.8	Confident	88.7	Confident	71 Å²	71	62.8 Å²	62.8	48%	0.48	32%	0.32	S	S	.	.	S	Bend	trans	-87.4	149.9	-179.2	-67.3	0	0	0	0	111.8	S57 L58 R62	S57-C60 PolarHBondContact O-N 2.97Å; S57-C60 VanDerWaalsContact O-N 3.15Å; L58-C60 VanDerWaalsContact C-N 3.35Å; C60-R62 PolarHBondContact O-N 2.75Å; C60-R62 PolarHBondContact O-NH1 3.22Å
61	K	80.6	Confident	89.1	Confident	212 Å²	212	60.8 Å²	60.8	92%	0.922	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-68	117.1	169.7	-73.9	-175.5	176.5	-179.2	0	109.3
62	R	83	Confident	89.5	Confident	40 Å²	40	60.1 Å²	60.1	15%	0.151	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-88.6	146.7	-176.1	-68.8	167.6	-67.7	-91.5	12.8	111.8	L58 C60 L82 D86 T93 Y94	L58-R62 PolarHBondContact O-NH1 2.83Å; C60-R62 PolarHBondContact O-N 2.75Å; C60-R62 PolarHBondContact O-NH1 3.22Å; R62-L82 PolarHBondContact NH2-O 3.39Å; R62-D86 IonicContact CZ-OD1 3.22Å; R62-D86 IonicContact CZ-OD2 3.32Å; R62-D86 IonicContact NE-OD1 3.07Å; R62-D86 PolarHBondContact NE-OD1 2.84Å; R62-D86 IonicContact NE-OD2 3.47Å; R62-D86 PolarHBondContact NE-OD2 2.9Å; R62-D86 IonicContact NH2-OD1 2.68Å; R62-D86 PolarHBondContact NH2-OD1 3.16Å; R62-D86 IonicContact NH2-OD2 2.67Å; R62-D86 PolarHBondContact NH2-OD2 2.97Å; R62-T93 HydrophobicContact CB-CG2 4.11Å; R62-Y94 WeakPolarHBondContact CD-OH 3.43Å
63	Q	83.2	Confident	89.6	Confident	147 Å²	147	60 Å²	60	69%	0.687	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-85.7	148.7	169.2	-64.9	-175.2	2.1	0	0	109.9	L65 T93	Q63-L65 PolarHBondContact O-N 2.77Å; Q63-T93 WeakPolarHBondContact O-CG2 3.39Å
64	K	84.5	Confident	89.7	Confident	137 Å²	137	58.1 Å²	58.1	60%	0.596	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-72.4	120.9	176.3	-61	-172.1	177.4	-166.6	0	109.4	N91	K64-N91 PolarHBondContact NZ-O 3.23Å
65	L	87	Confident	89.7	Confident	47 Å²	47	55.5 Å²	55.5	25%	0.246	28%	0.276	C	S	.	.			trans	-128.9	128.5	-177.7	-64.9	172.8	0	0	0	109.2	V27 L54 Q63 M67 T93 Y94	V27-L65 HydrophobicContact CG2-CD1 3.77Å; L54-L65 HydrophobicContact CD2-CD1 3.91Å; Q63-L65 PolarHBondContact O-N 2.77Å; L65-M67 PolarHBondContact O-N 2.9Å; L65-T93 CarbonylContact C-O 3.52Å; L65-T93 PolarHBondContact N-O 2.96Å; L65-Y94 HydrophobicContact CB-CD1 4.34Å; L65-Y94 HydrophobicContact CB-CE1 4.26Å; L65-Y94 HydrophobicContact CD1-CE1 4.42Å; L65-Y94 WeakPolarHBondContact O-CA 3.47Å
66	N	86.2	Confident	89.7	Confident	153 Å²	153	58.5 Å²	58.5	82%	0.818	28%	0.281	S	S	*	.	S	Bend	trans	-79.8	53.8	178.5	-166.7	22.6	0	0	0	111.9
67	M	90.3	Very high	89.6	Confident	44 Å²	44	64.5 Å²	64.5	22%	0.217	30%	0.302	C	S	.	.	S	Bend	trans	-133.5	161.6	-173.9	-66.2	170.6	56.4	0	0	109.9	W25 V27 T53 L65 Y94 S95	W25-M67 HydrophobicContact CB-CE 3.25Å; W25-M67 HydrophobicContact CB-SD 4.43Å; W25-M67 HydrophobicContact CG-CE 4.49Å; W25-M67 WeakPolarHBondContact O-CE 3.45Å; V27-M67 HydrophobicContact CG2-CB 4.48Å; V27-M67 HydrophobicContact CG2-CE 4.13Å; T53-M67 WeakPolarHBondContact OG1-CE 3.37Å; L65-M67 PolarHBondContact O-N 2.9Å; M67-Y94 WeakPolarHBondContact O-CB 3.19Å; M67-S95 VanDerWaalsContact C-OG 3.23Å; M67-S95 PolarHBondContact O-N 3.43Å; M67-S95 PolarHBondContact O-OG 3.12Å
68	H	91.7	Very high	89.6	Confident	49 Å²	49	65.7 Å²	65.7	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.6	173.8	-73.7	-138.4	0	0	0	109.7	K26 V27 S95 A96 H98	K26-H68 VanDerWaalsContact CA-O 3.28Å; K26-H68 WeakPolarHBondContact CA-O 3.37Å; K26-H68 WeakPolarHBondContact CB-O 3.22Å; K26-H68 HydrophobicContact CG-CB 4.22Å; V27-H68 PolarHBondContact N-O 2.75Å; H68-S95 PolarHBondContact CD2-OG 2.6Å; H68-A96 WeakPolarHBondContact CA-O 3.43Å; H68-H98 AromaticContact ND1-NE2 3.56Å
69	A	93.2	Very high	89.6	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.9	174	0	0	0	0	0	111.3	V27 I29 Y71 Y94 A96 A97 H98	V27-A69 CarbonylContact O-C 3.59Å; V27-A69 WeakPolarHBondContact O-CA 3.4Å; I29-A69 HydrophobicContact CD1-CB 3.77Å; A69-Y71 HydrophobicContact CB-CD2 4.17Å; A69-Y71 HydrophobicContact CB-CE2 3.5Å; A69-Y94 HydrophobicContact CB-CD1 3.82Å; A69-Y94 HydrophobicContact CB-CD2 3.59Å; A69-Y94 HydrophobicContact CB-CE1 4.26Å; A69-Y94 HydrophobicContact CB-CE2 4.06Å; A69-Y94 HydrophobicContact CB-CG 3.44Å; A69-Y94 VanDerWaalsContact CB-CG 3.44Å; A69-A96 PolarHBondContact N-O 2.79Å; A69-A97 CarbonylContact O-C 3.46Å; A69-A97 WeakPolarHBondContact O-CA 3.35Å; A69-H98 PolarHBondContact O-N 3.49Å
70	I	94.2	Very high	89.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.7	173.9	-55.8	151.6	0	0	0	106.2	V15 V19 K26 V27 L28 I29 I52 I72 H98 F100	V15-I70 HydrophobicContact CG1-CG2 4.16Å; V19-I70 HydrophobicContact CG1-CD1 3.51Å; V19-I70 HydrophobicContact CG1-CG1 3.81Å; V19-I70 HydrophobicContact CG2-CG1 4.23Å; K26-I70 HydrophobicContact CB-CD1 3.86Å; K26-I70 HydrophobicContact CB-CG1 4.44Å; K26-I70 HydrophobicContact CD-CD1 4Å; K26-I70 HydrophobicContact CD-CG1 4.37Å; V27-I70 PolarHBondContact O-N 3.49Å; L28-I70 CarbonylContact C-O 3.57Å; L28-I70 HydrophobicContact CD1-CB 4.02Å; L28-I70 HydrophobicContact CD1-CG2 3.8Å; I29-I70 PolarHBondContact N-O 3.29Å; I52-I70 HydrophobicContact CD1-CD1 3.92Å; I52-I70 HydrophobicContact CG1-CD1 3.8Å; I70-I72 HydrophobicContact CG2-CG1 4.32Å; I70-H98 CarbonylContact C-O 3.53Å; I70-H98 WeakPolarHBondContact CA-O 3.34Å; I70-F100 HydrophobicContact CG2-CD2 3.85Å; I70-F100 HydrophobicContact CG2-CE2 3.8Å
71	Y	94.9	Very high	90.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.2	176.8	-67.4	-97.4	0	0	0	108.9	I29 L58 A69 M73 L83 D86 F87 Y94 A97 H98 V99 F100	I29-Y71 HydrophobicContact CB-CD1 3.88Å; I29-Y71 HydrophobicContact CB-CE1 4.04Å; I29-Y71 HydrophobicContact CB-CG 4.44Å; I29-Y71 HydrophobicContact CD1-CD1 4.08Å; I29-Y71 HydrophobicContact CD1-CE1 3.45Å; I29-Y71 VanDerWaalsContact CD1-CE1 3.45Å; I29-Y71 HydrophobicContact CD1-CE2 3.98Å; I29-Y71 HydrophobicContact CG1-CE1 4.37Å; I29-Y71 HydrophobicContact CG2-CD1 3.85Å; I29-Y71 HydrophobicContact CG2-CE1 3.86Å; I29-Y71 CarbonylContact O-C 3.5Å; I29-Y71 WeakPolarHBondContact O-CA 3.26Å; L58-Y71 HydrophobicContact CD1-CD1 3.99Å; L58-Y71 HydrophobicContact CD1-CE1 3.96Å; A69-Y71 HydrophobicContact CB-CD2 4.17Å; A69-Y71 HydrophobicContact CB-CE2 3.5Å; Y71-M73 HydrophobicContact CD1-SD 4.44Å; Y71-L83 HydrophobicContact CD1-CD1 3.64Å; Y71-L83 HydrophobicContact CD2-CD1 3.7Å; Y71-L83 HydrophobicContact CE1-CD1 3.54Å; Y71-L83 HydrophobicContact CE2-CD1 3.61Å; Y71-L83 HydrophobicContact CG-CD1 3.71Å; Y71-D86 WeakPolarHBondContact CE1-OD2 3.19Å; Y71-D86 WeakPolarHBondContact OH-CB 3.48Å; Y71-D86 PolarHBondContact OH-OD2 2.83Å; Y71-F87 AromaticContact CE2-CE2 3.81Å; Y71-F87 HydrophobicContact CE2-CE2 3.81Å; Y71-F87 AromaticContact CE2-CZ 4Å; Y71-F87 HydrophobicContact CE2-CZ 4Å; Y71-F87 AromaticContact CZ-CE2 3.88Å; Y71-F87 WeakPolarHBondContact OH-CE2 3.44Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.39Å; Y71-Y94 VanDerWaalsContact OH-CE2 3.26Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.42Å; Y71-A97 HydrophobicContact CD2-CB 4.11Å; Y71-A97 HydrophobicContact CE2-CB 3.93Å; Y71-H98 PolarHBondContact N-O 3.24Å; Y71-V99 HydrophobicContact CD2-CG2 4.46Å; Y71-F100 PolarHBondContact O-N 2.76Å
72	I	95	Very high	90.7	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.6	167.2	-50.1	-179.9	0	0	0	107.2	V15 L28 I29 M30 D31 A34 I70 F100 L102 L128	V15-I72 HydrophobicContact CG1-CD1 4.12Å; L28-I72 HydrophobicContact CD1-CD1 3.72Å; L28-I72 HydrophobicContact CD1-CG1 3.88Å; I29-I72 PolarHBondContact O-N 3.18Å; M30-I72 VanDerWaalsContact CA-O 3.3Å; M30-I72 WeakPolarHBondContact CA-O 3.48Å; M30-I72 HydrophobicContact CG-CB 4.27Å; D31-I72 PolarHBondContact N-O 2.92Å; A34-I72 HydrophobicContact CB-CB 4.02Å; A34-I72 HydrophobicContact CB-CG2 3.66Å; A34-I72 WeakPolarHBondContact CB-O 3.37Å; I70-I72 HydrophobicContact CG2-CG1 4.32Å; I72-F100 WeakPolarHBondContact CA-O 3.3Å; I72-F100 HydrophobicContact CG1-CB 4.34Å; I72-L102 HydrophobicContact CG2-CD2 3.77Å; I72-L102 HydrophobicContact CG2-CG 4.42Å; I72-L128 HydrophobicContact CG2-CD1 4.29Å
73	M	94.3	Very high	91.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.4	-173.1	63.3	-166.9	-162.1	0	0	112.8	D31 L58 Y71 E79 I80 L83 V99 F100 F101 L102	D31-M73 HydrophobicContact CB-CB 4.16Å; L58-M73 HydrophobicContact CD2-CB 4.46Å; L58-M73 HydrophobicContact CD2-SD 3.93Å; Y71-M73 HydrophobicContact CD1-SD 4.44Å; M73-E79 HydrophobicContact CB-CG 4.42Å; M73-E79 HydrophobicContact CG-CB 4.48Å; M73-E79 HydrophobicContact SD-CB 4.08Å; M73-I80 HydrophobicContact CE-CD1 3.58Å; M73-L83 HydrophobicContact CE-CB 3.97Å; M73-L83 HydrophobicContact CE-CD2 3.64Å; M73-L83 HydrophobicContact CE-CG 4.3Å; M73-V99 HydrophobicContact CE-CG1 4.17Å; M73-F100 PolarHBondContact N-O 3.04Å; M73-F100 VanDerWaalsContact N-O 3.08Å; M73-F101 HydrophobicContact CE-CD1 4.45Å; M73-F101 HydrophobicContact CE-CE1 3.57Å; M73-F101 HydrophobicContact CE-CZ 4.22Å; M73-F101 HydrophobicContact CG-CD1 4.27Å; M73-F101 HydrophobicContact CG-CE1 4.25Å; M73-F101 VanDerWaalsContact O-CA 3.3Å; M73-F101 WeakPolarHBondContact O-CA 3.42Å; M73-L102 PolarHBondContact O-N 2.8Å
74	R	91.9	Very high	91.5	Very high	32 Å²	32	47.3 Å²	47.3	12%	0.121	23%	0.225	C	C	.	.			trans	-74.9	143.2	166.3	-69.1	-176.2	166	150	2.5	110.7	D31 A33 R76 L102 D131	D31-R74 WeakPolarHBondContact OD2-CB 3.39Å; D31-R74 PolarHBondContact OD2-N 3.28Å; A33-R74 HydrophobicContact CB-CG 4.19Å; R74-R76 HydrophobicContact CB-CG 3.85Å; R74-R76 PolarHBondContact O-N 2.97Å; R74-L102 HydrophobicContact CG-CB 4.37Å; R74-L102 HydrophobicContact CG-CD1 3.94Å; R74-D131 IonicContact CZ-OD1 2.62Å; R74-D131 IonicContact NE-OD1 3.52Å; R74-D131 PolarHBondContact NE-OD1 3.15Å; R74-D131 IonicContact NE-OD2 3.04Å; R74-D131 IonicContact NH2-OD1 3.86Å; R74-D131 PolarHBondContact NH2-OD1 3.21Å
75	P	90.8	Very high	91.8	Very high	12 Å²	12	47 Å²	47	8%	0.078	23%	0.225	C	C	.	.			trans	-78.3	70.5	174.8	33.3	-34	0	0	0	110.7	F101 S103 S104 C105 L109	P75-F101 HydrophobicContact CB-CD1 3.68Å; P75-F101 HydrophobicContact CB-CE1 3.92Å; P75-F101 HydrophobicContact CB-CG 4.17Å; P75-F101 HydrophobicContact CG-CD1 4.37Å; P75-S103 WeakPolarHBondContact CD-OG 3.46Å; P75-S104 VanDerWaalsContact CG-O 3.26Å; P75-S104 WeakPolarHBondContact CG-O 3.26Å; P75-C105 HydrophobicContact CB-CB 3.85Å; P75-C105 HydrophobicContact CG-CB 4.42Å; P75-L109 WeakPolarHBondContact O-CD1 3.41Å
76	R	90.2	Very high	91.9	Very high	117 Å²	117	45.1 Å²	45.1	44%	0.442	22%	0.216	S	C	.	.			trans	-114	158	170.5	-15.5	174.4	-95.3	-163.6	-13.2	110.9	R74 A78 E79 I80	R74-R76 HydrophobicContact CB-CG 3.85Å; R74-R76 PolarHBondContact O-N 2.97Å; R76-A78 VanDerWaalsContact C-N 3.3Å; R76-A78 PolarHBondContact O-N 3.36Å; R76-E79 WeakPolarHBondContact CB-OE2 3.31Å; R76-E79 VanDerWaalsContact CG-OE2 3.28Å; R76-E79 WeakPolarHBondContact CG-OE2 3.46Å; R76-E79 IonicContact CZ-OE1 2.74Å; R76-E79 IonicContact NE-OE1 3.04Å; R76-E79 PolarHBondContact NE-OE1 3.42Å; R76-E79 IonicContact NE-OE2 3.77Å; R76-E79 PolarHBondContact NE-OE2 2.7Å; R76-E79 VanDerWaalsContact NE-OE2 3.08Å; R76-E79 IonicContact NH2-OE1 3.06Å; R76-E79 PolarHBondContact NH2-OE1 3.05Å; R76-E79 PolarHBondContact O-N 3Å; R76-E79 VanDerWaalsContact O-N 3.15Å; R76-I80 WeakPolarHBondContact O-CG1 3.3Å; R76-I80 PolarHBondContact O-N 3.4Å
77	R	91.2	Very high	92.1	Very high	162 Å²	162	38.2 Å²	38.2	61%	0.611	18%	0.178	S	C	*	.	H	α-helix	trans	-53.3	-46.2	-173.3	-75.3	-179.2	178.3	108.2	2.6	112.4	E79 I80 E81 L109	R77-E79 PolarHBondContact O-N 3.08Å; R77-I80 PolarHBondContact O-N 3.18Å; R77-E81 WeakPolarHBondContact O-CB 3.33Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.18Å; R77-E81 PolarHBondContact O-N 2.95Å; R77-L109 HydrophobicContact CG-CD2 3.5Å; R77-L109 VanDerWaalsContact CG-CD2 3.5Å
78	A	92.2	Very high	91.9	Very high	55 Å²	55	38.6 Å²	38.6	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-45.3	179.7	0	0	0	0	0	112.4	R76 E81 L82	R76-A78 VanDerWaalsContact C-N 3.3Å; R76-A78 PolarHBondContact O-N 3.36Å; A78-E81 PolarHBondContact O-N 2.86Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.12Å; A78-L82 VanDerWaalsContact O-N 3.07Å
79	E	92.7	Very high	91.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-42.5	178.1	-69.4	69.6	-162.6	0	0	111.7	D31 L58 M73 R76 R77 L82 L83	D31-E79 HydrophobicContact CB-CG 4.21Å; L58-E79 HydrophobicContact CD2-CB 3.67Å; L58-E79 HydrophobicContact CD2-CG 3.68Å; M73-E79 HydrophobicContact CB-CG 4.42Å; M73-E79 HydrophobicContact CG-CB 4.48Å; M73-E79 HydrophobicContact SD-CB 4.08Å; R76-E79 WeakPolarHBondContact CB-OE2 3.31Å; R76-E79 VanDerWaalsContact CG-OE2 3.28Å; R76-E79 WeakPolarHBondContact CG-OE2 3.46Å; R76-E79 IonicContact CZ-OE1 2.74Å; R76-E79 IonicContact NE-OE1 3.04Å; R76-E79 PolarHBondContact NE-OE1 3.42Å; R76-E79 IonicContact NE-OE2 3.77Å; R76-E79 PolarHBondContact NE-OE2 2.7Å; R76-E79 VanDerWaalsContact NE-OE2 3.08Å; R76-E79 IonicContact NH2-OE1 3.06Å; R76-E79 PolarHBondContact NH2-OE1 3.05Å; R76-E79 PolarHBondContact O-N 3Å; R76-E79 VanDerWaalsContact O-N 3.15Å; R77-E79 PolarHBondContact O-N 3.08Å; E79-L82 PolarHBondContact O-N 3.01Å; E79-L83 PolarHBondContact O-N 3.49Å
80	I	92.7	Very high	90.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-45.1	176.5	-62.3	-44.9	0	0	0	110.5	M73 R76 R77 L82 L83 L84 F101 L109 I113	M73-I80 HydrophobicContact CE-CD1 3.58Å; R76-I80 WeakPolarHBondContact O-CG1 3.3Å; R76-I80 PolarHBondContact O-N 3.4Å; R77-I80 PolarHBondContact O-N 3.18Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.33Å; I80-L83 WeakPolarHBondContact O-CB 3.43Å; I80-L83 PolarHBondContact O-N 2.88Å; I80-L84 HydrophobicContact CG2-CD1 4.03Å; I80-L84 HydrophobicContact CG2-CG 4.18Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.46Å; I80-L84 PolarHBondContact O-N 3.49Å; I80-F101 HydrophobicContact CD1-CE1 3.62Å; I80-F101 HydrophobicContact CD1-CZ 3.75Å; I80-L109 HydrophobicContact CG1-CB 4.28Å; I80-L109 HydrophobicContact CG1-CD1 4.16Å; I80-I113 HydrophobicContact CD1-CD1 3.81Å; I80-I113 HydrophobicContact CG1-CD1 4.44Å; I80-I113 HydrophobicContact CG2-CD1 4.22Å; I80-I113 HydrophobicContact CG2-CG1 3.73Å
81	E	92.5	Very high	90.1	Very high	95 Å²	95	52.8 Å²	52.8	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-42.3	177.6	-75	169.8	-165.8	0	0	111.9	R77 A78 L84 Q85	R77-E81 WeakPolarHBondContact O-CB 3.33Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.18Å; R77-E81 PolarHBondContact O-N 2.95Å; A78-E81 PolarHBondContact O-N 2.86Å; E81-L84 PolarHBondContact O-N 3.41Å; E81-Q85 VanDerWaalsContact O-CG 3.27Å; E81-Q85 WeakPolarHBondContact O-CG 3.22Å; E81-Q85 PolarHBondContact O-N 3.22Å
82	L	92.5	Very high	89.7	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-39.1	175.6	-69.9	168.8	0	0	0	112.5	L58 R62 A78 E79 I80 Q85 D86	L58-L82 HydrophobicContact CD1-CB 4.17Å; L58-L82 HydrophobicContact CD2-CB 4.33Å; L58-L82 HydrophobicContact CD2-CD1 4.31Å; L58-L82 HydrophobicContact CG-CB 4.01Å; L58-L82 HydrophobicContact CG-CD1 4.05Å; R62-L82 PolarHBondContact NH2-O 3.39Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.36Å; A78-L82 PolarHBondContact O-N 3.12Å; A78-L82 VanDerWaalsContact O-N 3.07Å; E79-L82 PolarHBondContact O-N 3.01Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.33Å; L82-Q85 PolarHBondContact O-N 3.26Å; L82-D86 PolarHBondContact O-N 3.18Å
83	L	92.3	Very high	89.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-45.9	172.4	172.6	70.3	0	0	0	110.9	Y71 M73 E79 I80 Q85 D86 F87 V99	Y71-L83 HydrophobicContact CD1-CD1 3.64Å; Y71-L83 HydrophobicContact CD2-CD1 3.7Å; Y71-L83 HydrophobicContact CE1-CD1 3.54Å; Y71-L83 HydrophobicContact CE2-CD1 3.61Å; Y71-L83 HydrophobicContact CG-CD1 3.71Å; M73-L83 HydrophobicContact CE-CB 3.97Å; M73-L83 HydrophobicContact CE-CD2 3.64Å; M73-L83 HydrophobicContact CE-CG 4.3Å; E79-L83 PolarHBondContact O-N 3.49Å; I80-L83 WeakPolarHBondContact O-CB 3.43Å; I80-L83 PolarHBondContact O-N 2.88Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 3.29Å; L83-D86 WeakPolarHBondContact O-CB 3.4Å; L83-D86 PolarHBondContact O-N 3.2Å; L83-D86 VanDerWaalsContact O-N 3.17Å; L83-F87 HydrophobicContact CD1-CD2 4.34Å; L83-F87 HydrophobicContact CD1-CE2 3.92Å; L83-F87 WeakPolarHBondContact O-CD2 3.43Å; L83-V99 HydrophobicContact CD1-CG2 4.26Å; L83-V99 HydrophobicContact CD2-CG1 4.43Å; L83-V99 HydrophobicContact CD2-CG2 3.97Å
84	L	91.6	Very high	89.3	Confident	38 Å²	38	54.8 Å²	54.8	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-33.6	-179.1	-66.7	-178.3	0	0	0	112.2	I80 E81 D86 F87 Q112 S116 A118	I80-L84 HydrophobicContact CG2-CD1 4.03Å; I80-L84 HydrophobicContact CG2-CG 4.18Å; I80-L84 VanDerWaalsContact O-CG 3.26Å; I80-L84 WeakPolarHBondContact O-CG 3.46Å; I80-L84 PolarHBondContact O-N 3.49Å; E81-L84 PolarHBondContact O-N 3.41Å; L84-D86 PolarHBondContact O-N 3.31Å; L84-F87 PolarHBondContact O-N 2.98Å; L84-Q112 HydrophobicContact CD1-CG 4.17Å; L84-S116 WeakPolarHBondContact CD2-OG 3.49Å; L84-A118 HydrophobicContact CD2-CB 3.74Å
85	Q	90	Very high	89.1	Confident	129 Å²	129	54.9 Å²	54.9	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-64.7	-23.1	175	-74.3	172.5	22.4	0	0	113.7	E81 L82 L83 F87 P88	E81-Q85 VanDerWaalsContact O-CG 3.27Å; E81-Q85 WeakPolarHBondContact O-CG 3.22Å; E81-Q85 PolarHBondContact O-N 3.22Å; L82-Q85 PolarHBondContact O-N 3.26Å; L83-Q85 VanDerWaalsContact C-N 3.29Å; L83-Q85 PolarHBondContact O-N 3.29Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-P88 WeakPolarHBondContact O-CD 3.29Å
86	D	90.2	Very high	89.2	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.043	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-16.4	177.3	-72.7	-21.6	0	0	0	113.7	R62 Y71 L82 L83 L84 P88 T93 Y94	R62-D86 IonicContact CZ-OD1 3.22Å; R62-D86 IonicContact CZ-OD2 3.32Å; R62-D86 IonicContact NE-OD1 3.07Å; R62-D86 PolarHBondContact NE-OD1 2.84Å; R62-D86 IonicContact NE-OD2 3.47Å; R62-D86 PolarHBondContact NE-OD2 2.9Å; R62-D86 IonicContact NH2-OD1 2.68Å; R62-D86 PolarHBondContact NH2-OD1 3.16Å; R62-D86 IonicContact NH2-OD2 2.67Å; R62-D86 PolarHBondContact NH2-OD2 2.97Å; Y71-D86 WeakPolarHBondContact CE1-OD2 3.19Å; Y71-D86 WeakPolarHBondContact OH-CB 3.48Å; Y71-D86 PolarHBondContact OH-OD2 2.83Å; L82-D86 PolarHBondContact O-N 3.18Å; L83-D86 WeakPolarHBondContact O-CB 3.4Å; L83-D86 PolarHBondContact O-N 3.2Å; L83-D86 VanDerWaalsContact O-N 3.17Å; L84-D86 PolarHBondContact O-N 3.31Å; D86-P88 VanDerWaalsContact O-CD 3.3Å; D86-P88 WeakPolarHBondContact O-CD 3.4Å; D86-T93 WeakPolarHBondContact O-CB 3.14Å; D86-T93 PolarHBondContact O-N 3.31Å; D86-T93 PolarHBondContact O-OG1 2.62Å; D86-Y94 HydrophobicContact CB-CD2 4.36Å; D86-Y94 HydrophobicContact CB-CE2 4.47Å
87	F	90.2	Very high	89.3	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.035	26%	0.26	C	S	.	.	S	Bend	trans	-122.3	58.5	-177.1	-60.9	-73.4	0	0	0	112.3	Y71 L83 L84 Q85 P92 Y94 A97 A118 R121	Y71-F87 AromaticContact CE2-CE2 3.81Å; Y71-F87 HydrophobicContact CE2-CE2 3.81Å; Y71-F87 AromaticContact CE2-CZ 4Å; Y71-F87 HydrophobicContact CE2-CZ 4Å; Y71-F87 AromaticContact CZ-CE2 3.88Å; Y71-F87 WeakPolarHBondContact OH-CE2 3.44Å; L83-F87 HydrophobicContact CD1-CD2 4.34Å; L83-F87 HydrophobicContact CD1-CE2 3.92Å; L83-F87 WeakPolarHBondContact O-CD2 3.43Å; L84-F87 PolarHBondContact O-N 2.98Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; F87-P92 HydrophobicContact CD1-CB 4.16Å; F87-Y94 HydrophobicContact CZ-CD2 4.1Å; F87-A97 HydrophobicContact CE1-CB 4.37Å; F87-A97 HydrophobicContact CE2-CB 3.77Å; F87-A97 HydrophobicContact CZ-CB 3.55Å; F87-A118 HydrophobicContact CB-CB 3.74Å; F87-A118 HydrophobicContact CD2-CB 4.31Å; F87-A118 HydrophobicContact CG-CB 4.3Å; F87-R121 HydrophobicContact CD1-CB 4.04Å; F87-R121 VanDerWaalsContact CD1-CD 3.49Å; F87-R121 HydrophobicContact CD1-CG 4.41Å; F87-R121 HydrophobicContact CE1-CB 4.29Å
88	P	85.3	Confident	89.4	Confident	53 Å²	53	41.6 Å²	41.6	34%	0.344	23%	0.232	S	C	.	.			trans	-62.8	159.7	168.7	30.2	-36.4	0	0	0	111.2	Q85 D86 S90	Q85-P88 WeakPolarHBondContact O-CD 3.29Å; D86-P88 VanDerWaalsContact O-CD 3.3Å; D86-P88 WeakPolarHBondContact O-CD 3.4Å; P88-S90 WeakPolarHBondContact CG-O 3.23Å; P88-S90 PolarHBondContact O-N 3.32Å
89	E	78.9	Confident	89.5	Confident	150 Å²	150	39 Å²	39	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	-54.3	-39	179.2	-173.9	157	-172	0	0	112.8	Q117	E89-Q117 PolarHBondContact OE2-NE2 3.06Å
90	S	80.1	Confident	89.6	Confident	85 Å²	85	38.6 Å²	38.6	59%	0.594	21%	0.209	S	C	*	.	S	Bend	trans	-117.5	136.9	177.8	61.6	0	0	0	0	110.5	P88	P88-S90 WeakPolarHBondContact CG-O 3.23Å; P88-S90 PolarHBondContact O-N 3.32Å
91	N	83.1	Confident	89.7	Confident	111 Å²	111	38.8 Å²	38.8	59%	0.594	21%	0.21	S	C	*	.	S	Bend	trans	57.1	63.7	177.8	-60	-30.4	0	0	0	114.5	K64	K64-N91 PolarHBondContact NZ-O 3.23Å
92	P	86.8	Confident	89.7	Confident	33 Å²	33	34.3 Å²	34.3	21%	0.214	19%	0.189	C	C	.	.			trans	-58.3	148.9	175.2	34.4	-43	0	0	0	111	F87 Y94 R121	F87-P92 HydrophobicContact CD1-CB 4.16Å; P92-Y94 VanDerWaalsContact C-N 3.27Å; P92-Y94 WeakPolarHBondContact CB-O 3.46Å; P92-Y94 PolarHBondContact O-N 3.4Å; P92-R121 VanDerWaalsContact CG-CZ 3.48Å
93	T	88.7	Confident	89.5	Confident	13 Å²	13	33 Å²	33	8%	0.08	18%	0.183	C	C	.	.	S	Bend	trans	-66.9	-33.7	176.2	-55.1	0	0	0	0	111.2	R62 Q63 L65 D86	R62-T93 HydrophobicContact CB-CG2 4.11Å; Q63-T93 WeakPolarHBondContact O-CG2 3.39Å; L65-T93 CarbonylContact C-O 3.52Å; L65-T93 PolarHBondContact N-O 2.96Å; D86-T93 WeakPolarHBondContact O-CB 3.14Å; D86-T93 PolarHBondContact O-N 3.31Å; D86-T93 PolarHBondContact O-OG1 2.62Å
94	Y	91.5	Very high	89.3	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.008	20%	0.202	C	C	.	.	S	Bend	trans	-130.8	156.3	-178.4	-55.8	-70.5	0	0	0	111.8	V27 I29 E56 R62 L65 M67 A69 Y71 D86 F87 P92	V27-Y94 HydrophobicContact CB-CE1 4.13Å; V27-Y94 HydrophobicContact CG1-CE1 4.28Å; V27-Y94 HydrophobicContact CG2-CE1 4.12Å; I29-Y94 HydrophobicContact CD1-CD2 4.14Å; I29-Y94 HydrophobicContact CD1-CE1 4.37Å; I29-Y94 HydrophobicContact CD1-CE2 3.31Å; I29-Y94 VanDerWaalsContact CD1-CZ 3.44Å; I29-Y94 WeakPolarHBondContact CD1-OH 3.37Å; E56-Y94 PolarHBondContact OE2-OH 2.89Å; E56-Y94 VanDerWaalsContact OE2-OH 3.05Å; R62-Y94 WeakPolarHBondContact CD-OH 3.43Å; L65-Y94 HydrophobicContact CB-CD1 4.34Å; L65-Y94 HydrophobicContact CB-CE1 4.26Å; L65-Y94 HydrophobicContact CD1-CE1 4.42Å; L65-Y94 WeakPolarHBondContact O-CA 3.47Å; M67-Y94 WeakPolarHBondContact O-CB 3.19Å; A69-Y94 HydrophobicContact CB-CD1 3.82Å; A69-Y94 HydrophobicContact CB-CD2 3.59Å; A69-Y94 HydrophobicContact CB-CE1 4.26Å; A69-Y94 HydrophobicContact CB-CE2 4.06Å; A69-Y94 HydrophobicContact CB-CG 3.44Å; A69-Y94 VanDerWaalsContact CB-CG 3.44Å; Y71-Y94 WeakPolarHBondContact OH-CD2 3.39Å; Y71-Y94 VanDerWaalsContact OH-CE2 3.26Å; Y71-Y94 WeakPolarHBondContact OH-CE2 3.42Å; D86-Y94 HydrophobicContact CB-CD2 4.36Å; D86-Y94 HydrophobicContact CB-CE2 4.47Å; F87-Y94 HydrophobicContact CZ-CD2 4.1Å; P92-Y94 VanDerWaalsContact C-N 3.27Å; P92-Y94 WeakPolarHBondContact CB-O 3.46Å; P92-Y94 PolarHBondContact O-N 3.4Å
95	S	88.7	Confident	89.2	Confident	33 Å²	33	34.9 Å²	34.9	23%	0.231	20%	0.199	C	C	.	.	S	Bend	trans	-70.3	-42.5	-179.5	61.4	0	0	0	0	112	M67 H68 R121	M67-S95 VanDerWaalsContact C-OG 3.23Å; M67-S95 PolarHBondContact O-N 3.43Å; M67-S95 PolarHBondContact O-OG 3.12Å; H68-S95 PolarHBondContact CD2-OG 2.6Å; S95-R121 PolarHBondContact O-NH1 2.96Å
96	A	91.5	Very high	89.1	Confident	8 Å²	8	31.8 Å²	31.8	7%	0.066	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.3	178.6	0	0	0	0	0	111.4	H68 A69 R121 M123	H68-A96 WeakPolarHBondContact CA-O 3.43Å; A69-A96 PolarHBondContact N-O 2.79Å; A96-R121 WeakPolarHBondContact CA-O 3.47Å; A96-M123 HydrophobicContact CB-CG 3.85Å
97	A	93.1	Very high	89.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.3	178.5	0	0	0	0	0	112.5	A69 Y71 F87 V99 R121 I122 M123	A69-A97 CarbonylContact O-C 3.46Å; A69-A97 WeakPolarHBondContact O-CA 3.35Å; Y71-A97 HydrophobicContact CD2-CB 4.11Å; Y71-A97 HydrophobicContact CE2-CB 3.93Å; F87-A97 HydrophobicContact CE1-CB 4.37Å; F87-A97 HydrophobicContact CE2-CB 3.77Å; F87-A97 HydrophobicContact CZ-CB 3.55Å; A97-V99 HydrophobicContact CB-CG2 4.36Å; A97-R121 PolarHBondContact N-O 2.84Å; A97-I122 HydrophobicContact CB-CG1 4.1Å; A97-I122 CarbonylContact O-C 3.36Å; A97-I122 WeakPolarHBondContact O-CA 3.29Å; A97-M123 PolarHBondContact O-N 2.99Å
98	H	93.4	Very high	89.2	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113	163.1	-61.6	-76.6	0	0	0	108	H68 A69 I70 Y71 F100	H68-H98 AromaticContact ND1-NE2 3.56Å; A69-H98 PolarHBondContact O-N 3.49Å; I70-H98 CarbonylContact C-O 3.53Å; I70-H98 WeakPolarHBondContact CA-O 3.34Å; Y71-H98 PolarHBondContact N-O 3.24Å; H98-F100 HydrophobicContact CB-CE2 3.72Å; H98-F100 HydrophobicContact CB-CZ 4.39Å
99	V	94.3	Very high	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.8	-174.6	-176.3	0	0	0	0	109.9	Y71 M73 L83 A97 F101 I122 N124 M125 I126	Y71-V99 HydrophobicContact CD2-CG2 4.46Å; M73-V99 HydrophobicContact CE-CG1 4.17Å; L83-V99 HydrophobicContact CD1-CG2 4.26Å; L83-V99 HydrophobicContact CD2-CG1 4.43Å; L83-V99 HydrophobicContact CD2-CG2 3.97Å; A97-V99 HydrophobicContact CB-CG2 4.36Å; V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CD2 4.39Å; V99-F101 HydrophobicContact CG1-CE1 3.96Å; V99-F101 HydrophobicContact CG1-CE2 3.92Å; V99-F101 HydrophobicContact CG1-CZ 3.68Å; V99-I122 HydrophobicContact CG2-CD1 4.43Å; V99-I122 HydrophobicContact CG2-CG1 4.28Å; V99-I122 HydrophobicContact CG2-CG2 4.22Å; V99-N124 PolarHBondContact N-O 3.26Å; V99-M125 HydrophobicContact CB-CG 4.38Å; V99-M125 CarbonylContact O-C 3.6Å; V99-M125 VanDerWaalsContact O-CA 3.25Å; V99-M125 WeakPolarHBondContact O-CA 3.3Å; V99-I126 PolarHBondContact O-N 3.32Å
100	F	94.7	Very high	90.1	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.1	178	-61.7	-87.9	0	0	0	109.2	H14 V15 V19 I70 Y71 I72 M73 H98 I126 L128	H14-F100 WeakPolarHBondContact O-CE1 3.44Å; V15-F100 HydrophobicContact CB-CE1 4.34Å; V15-F100 HydrophobicContact CB-CZ 4.41Å; V15-F100 HydrophobicContact CG1-CD2 4.04Å; V15-F100 HydrophobicContact CG1-CE1 4.4Å; V15-F100 HydrophobicContact CG1-CE2 3.88Å; V15-F100 HydrophobicContact CG1-CG 4.38Å; V15-F100 HydrophobicContact CG1-CZ 4.06Å; V15-F100 HydrophobicContact CG2-CD1 3.85Å; V15-F100 HydrophobicContact CG2-CE1 4.08Å; V15-F100 HydrophobicContact CG2-CG 4.1Å; V19-F100 HydrophobicContact CG2-CE2 3.91Å; V19-F100 HydrophobicContact CG2-CZ 3.85Å; I70-F100 HydrophobicContact CG2-CD2 3.85Å; I70-F100 HydrophobicContact CG2-CE2 3.8Å; Y71-F100 PolarHBondContact O-N 2.76Å; I72-F100 WeakPolarHBondContact CA-O 3.3Å; I72-F100 HydrophobicContact CG1-CB 4.34Å; M73-F100 PolarHBondContact N-O 3.04Å; M73-F100 VanDerWaalsContact N-O 3.08Å; H98-F100 HydrophobicContact CB-CE2 3.72Å; H98-F100 HydrophobicContact CB-CZ 4.39Å; F100-I126 CarbonylContact C-O 3.57Å; F100-I126 VanDerWaalsContact CA-O 3.31Å; F100-I126 WeakPolarHBondContact CA-O 3.3Å; F100-I126 HydrophobicContact CD1-CB 3.98Å; F100-I126 HydrophobicContact CD1-CD1 4.36Å; F100-I126 HydrophobicContact CE1-CB 4.26Å; F100-I126 HydrophobicContact CE1-CD1 3.76Å; F100-I126 HydrophobicContact CE1-CG1 4.34Å; F100-L128 HydrophobicContact CB-CD1 3.82Å; F100-L128 HydrophobicContact CB-CG 4.14Å; F100-L128 HydrophobicContact CD1-CD2 4.08Å; F100-L128 HydrophobicContact CD1-CG 4.42Å
101	F	94.4	Very high	90.7	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.4	178.2	-67.9	-60.9	0	0	0	111.2	M73 P75 I80 V99 S103 C105 I113 M125 I126 L128	M73-F101 HydrophobicContact CE-CD1 4.45Å; M73-F101 HydrophobicContact CE-CE1 3.57Å; M73-F101 HydrophobicContact CE-CZ 4.22Å; M73-F101 HydrophobicContact CG-CD1 4.27Å; M73-F101 HydrophobicContact CG-CE1 4.25Å; M73-F101 VanDerWaalsContact O-CA 3.3Å; M73-F101 WeakPolarHBondContact O-CA 3.42Å; P75-F101 HydrophobicContact CB-CD1 3.68Å; P75-F101 HydrophobicContact CB-CE1 3.92Å; P75-F101 HydrophobicContact CB-CG 4.17Å; P75-F101 HydrophobicContact CG-CD1 4.37Å; I80-F101 HydrophobicContact CD1-CE1 3.62Å; I80-F101 HydrophobicContact CD1-CZ 3.75Å; V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CD2 4.39Å; V99-F101 HydrophobicContact CG1-CE1 3.96Å; V99-F101 HydrophobicContact CG1-CE2 3.92Å; V99-F101 HydrophobicContact CG1-CZ 3.68Å; F101-S103 WeakPolarHBondContact CB-O 3.49Å; F101-C105 HydrophobicContact CD2-CB 3.96Å; F101-C105 HydrophobicContact CE2-CB 4.05Å; F101-C105 HydrophobicContact CG-CB 4.46Å; F101-I113 HydrophobicContact CZ-CD1 3.97Å; F101-M125 HydrophobicContact CD2-CG 4.09Å; F101-M125 HydrophobicContact CE2-CG 3.66Å; F101-M125 HydrophobicContact CE2-SD 3.7Å; F101-I126 PolarHBondContact N-O 2.73Å; F101-L128 WeakPolarHBondContact O-CB 3.48Å; F101-L128 PolarHBondContact O-N 2.94Å
102	L	91.7	Very high	91.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-67.2	-36.6	175.8	-65.5	-178.1	0	0	0	112.4	A33 A34 I72 M73 R74 S129 V130 D131	A33-L102 HydrophobicContact CB-CD1 4.14Å; A34-L102 HydrophobicContact CB-CD1 4.01Å; A34-L102 HydrophobicContact CB-CD2 4.47Å; A34-L102 HydrophobicContact CB-CG 4.49Å; I72-L102 HydrophobicContact CG2-CD2 3.77Å; I72-L102 HydrophobicContact CG2-CG 4.42Å; M73-L102 PolarHBondContact O-N 2.8Å; R74-L102 HydrophobicContact CG-CB 4.37Å; R74-L102 HydrophobicContact CG-CD1 3.94Å; L102-S129 CarbonylContact O-C 3.57Å; L102-S129 WeakPolarHBondContact O-CA 3.45Å; L102-S129 PolarHBondContact O-N 3.31Å; L102-S129 VanDerWaalsContact O-N 3.12Å; L102-V130 HydrophobicContact CD2-CG2 3.87Å; L102-V130 PolarHBondContact O-N 3.24Å; L102-D131 HydrophobicContact CB-CB 4.21Å
103	S	89.4	Confident	91.3	Very high	13 Å²	13	32.4 Å²	32.4	9%	0.091	18%	0.184	C	C	.	.	S	Bend	trans	-127.1	175.3	179.8	37.3	0	0	0	0	111.7	P75 F101 C105 D131	P75-S103 WeakPolarHBondContact CD-OG 3.46Å; F101-S103 WeakPolarHBondContact CB-O 3.49Å; S103-C105 PolarHBondContact O-N 3.48Å; S103-D131 VanDerWaalsContact CB-OD2 3.23Å; S103-D131 WeakPolarHBondContact CB-OD2 3.32Å; S103-D131 PolarHBondContact OG-OD2 2.73Å
104	S	88.1	Confident	91.5	Very high	56 Å²	56	36.3 Å²	36.3	39%	0.392	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-59.1	131.5	176.7	-174.2	0	0	0	0	112.1	P75 P106 E170	P75-S104 VanDerWaalsContact CG-O 3.26Å; P75-S104 WeakPolarHBondContact CG-O 3.26Å; S104-P106 WeakPolarHBondContact O-CD 3.43Å; S104-E170 VanDerWaalsContact CB-OE1 3.28Å; S104-E170 WeakPolarHBondContact CB-OE1 3.36Å; S104-E170 PolarHBondContact N-OE1 2.98Å
105	C	88.7	Confident	91.4	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.135	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-84.6	120.4	179.8	-172.9	0	0	0	0	110.1	P75 F101 S103 N107	P75-C105 HydrophobicContact CB-CB 3.85Å; P75-C105 HydrophobicContact CG-CB 4.42Å; F101-C105 HydrophobicContact CD2-CB 3.96Å; F101-C105 HydrophobicContact CE2-CB 4.05Å; F101-C105 HydrophobicContact CG-CB 4.46Å; S103-C105 PolarHBondContact O-N 3.48Å; C105-N107 PolarHBondContact O-N 3.28Å
106	P	89.3	Confident	91.4	Very high	64 Å²	64	40.4 Å²	40.4	42%	0.416	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-57.2	139.5	175.1	-23.1	32.7	0	0	0	111.8	S104 D108 L109 L110	S104-P106 WeakPolarHBondContact O-CD 3.43Å; P106-D108 PolarHBondContact O-N 3.37Å; P106-D108 VanDerWaalsContact O-N 3.11Å; P106-L109 HydrophobicContact CB-CG 4.4Å; P106-L109 HydrophobicContact CG-CD1 4.26Å; P106-L109 PolarHBondContact O-N 2.88Å; P106-L110 PolarHBondContact O-N 2.88Å
107	N	90.2	Very high	91.2	Very high	120 Å²	120	44.2 Å²	44.2	64%	0.642	26%	0.255	S	S	*	.	H	α-helix	trans	-54.6	-34.5	-178.5	-71.6	-27.8	0	0	0	113.1	C105 L109 L110 N111	C105-N107 PolarHBondContact O-N 3.28Å; N107-L109 PolarHBondContact O-N 3.08Å; N107-L110 PolarHBondContact O-N 3.28Å; N107-N111 WeakPolarHBondContact O-CB 3.16Å; N107-N111 PolarHBondContact O-N 3.48Å; N107-N111 PolarHBondContact O-ND2 3.24Å
108	D	91.8	Very high	90.9	Very high	113 Å²	113	44.3 Å²	44.3	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-61.2	-43	177.5	-62.6	-26.4	0	0	0	112.2	P106 Q112	P106-D108 PolarHBondContact O-N 3.37Å; P106-D108 VanDerWaalsContact O-N 3.11Å; D108-Q112 PolarHBondContact O-N 2.98Å
109	L	92.1	Very high	90.7	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-73.3	-37.6	178.5	-58.9	-171.9	0	0	0	111.1	P75 R77 I80 P106 N107 N111 Q112 I113	P75-L109 WeakPolarHBondContact O-CD1 3.41Å; R77-L109 HydrophobicContact CG-CD2 3.5Å; R77-L109 VanDerWaalsContact CG-CD2 3.5Å; I80-L109 HydrophobicContact CG1-CB 4.28Å; I80-L109 HydrophobicContact CG1-CD1 4.16Å; P106-L109 HydrophobicContact CB-CG 4.4Å; P106-L109 HydrophobicContact CG-CD1 4.26Å; P106-L109 PolarHBondContact O-N 2.88Å; N107-L109 PolarHBondContact O-N 3.08Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.43Å; L109-Q112 WeakPolarHBondContact O-CB 3.09Å; L109-Q112 PolarHBondContact O-N 3.33Å; L109-I113 WeakPolarHBondContact O-CG1 3.19Å; L109-I113 PolarHBondContact O-N 3.41Å
110	L	91.2	Very high	90.4	Very high	52 Å²	52	57.4 Å²	57.4	27%	0.272	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-45.7	173.7	-176.4	61.4	0	0	0	111	P106 N107 Q112 I113 I114 M125	P106-L110 PolarHBondContact O-N 2.88Å; N107-L110 PolarHBondContact O-N 3.28Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.17Å; L110-I113 PolarHBondContact O-N 2.93Å; L110-I113 VanDerWaalsContact O-N 3.16Å; L110-I114 HydrophobicContact CD1-CD1 4.29Å; L110-I114 HydrophobicContact CG-CD1 3.91Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.32Å; L110-I114 PolarHBondContact O-N 3.24Å; L110-M125 HydrophobicContact CD1-CE 4.32Å; L110-M125 HydrophobicContact CD1-SD 3.56Å; L110-M125 VanDerWaalsContact CD1-SD 3.56Å
111	N	92.4	Very high	90.2	Very high	94 Å²	94	61.6 Å²	61.6	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-38.3	176	-73.3	-28.3	0	0	0	112.1	N107 L109 I113 I114 A115	N107-N111 WeakPolarHBondContact O-CB 3.16Å; N107-N111 PolarHBondContact O-N 3.48Å; N107-N111 PolarHBondContact O-ND2 3.24Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.43Å; N111-I113 VanDerWaalsContact C-N 3.35Å; N111-I113 PolarHBondContact O-N 2.98Å; N111-I114 PolarHBondContact O-N 3.16Å; N111-A115 WeakPolarHBondContact O-CB 3.24Å; N111-A115 PolarHBondContact O-N 2.74Å
112	Q	92.3	Very high	90.1	Very high	74 Å²	74	62.5 Å²	62.5	35%	0.346	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.2	-170.8	-178.6	9.4	0	0	111.8	L84 D108 L109 L110 S116	L84-Q112 HydrophobicContact CD1-CG 4.17Å; D108-Q112 PolarHBondContact O-N 2.98Å; L109-Q112 WeakPolarHBondContact O-CB 3.09Å; L109-Q112 PolarHBondContact O-N 3.33Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.17Å; Q112-S116 PolarHBondContact O-N 3.17Å
113	I	90.9	Very high	90	Very high	0 Å²	0	68 Å²	68	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-42.6	176.3	-61.2	162.1	0	0	0	110.6	I80 F101 L109 L110 N111 A115 S116 V119 I122 M125	I80-I113 HydrophobicContact CD1-CD1 3.81Å; I80-I113 HydrophobicContact CG1-CD1 4.44Å; I80-I113 HydrophobicContact CG2-CD1 4.22Å; I80-I113 HydrophobicContact CG2-CG1 3.73Å; F101-I113 HydrophobicContact CZ-CD1 3.97Å; L109-I113 WeakPolarHBondContact O-CG1 3.19Å; L109-I113 PolarHBondContact O-N 3.41Å; L110-I113 PolarHBondContact O-N 2.93Å; L110-I113 VanDerWaalsContact O-N 3.16Å; N111-I113 VanDerWaalsContact C-N 3.35Å; N111-I113 PolarHBondContact O-N 2.98Å; I113-A115 VanDerWaalsContact C-N 3.35Å; I113-A115 PolarHBondContact O-N 3.45Å; I113-S116 WeakPolarHBondContact O-CB 3.14Å; I113-S116 PolarHBondContact O-N 2.85Å; I113-S116 VanDerWaalsContact O-N 3.13Å; I113-S116 PolarHBondContact O-OG 3.37Å; I113-V119 HydrophobicContact CG2-CG2 4.23Å; I113-I122 HydrophobicContact CG2-CD1 3.54Å; I113-M125 HydrophobicContact CB-CE 4.48Å; I113-M125 HydrophobicContact CD1-CE 4.14Å; I113-M125 HydrophobicContact CG2-CE 3.71Å
114	I	91	Very high	90	Very high	96 Å²	96	70 Å²	70	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-40.3	178.8	-67.8	167.2	0	0	0	111.9	L110 N111 S116 V119	L110-I114 HydrophobicContact CD1-CD1 4.29Å; L110-I114 HydrophobicContact CG-CD1 3.91Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.32Å; L110-I114 PolarHBondContact O-N 3.24Å; N111-I114 PolarHBondContact O-N 3.16Å; I114-S116 PolarHBondContact O-N 3.3Å; I114-V119 HydrophobicContact CG1-CG2 4.45Å
115	A	90.8	Very high	90.1	Very high	92 Å²	92	70.4 Å²	70.4	76%	0.76	37%	0.365	S	S	*	.	H	α-helix	trans	-70.1	-19.6	176.7	0	0	0	0	0	113	N111 I113	N111-A115 WeakPolarHBondContact O-CB 3.24Å; N111-A115 PolarHBondContact O-N 2.74Å; I113-A115 VanDerWaalsContact C-N 3.35Å; I113-A115 PolarHBondContact O-N 3.45Å
116	S	89.1	Confident	90.2	Very high	28 Å²	28	71.3 Å²	71.3	20%	0.196	37%	0.368	C	S	.	.	S	Bend	trans	-80.3	157.7	179.8	82.8	0	0	0	0	112.5	L84 Q112 I113 I114 A118	L84-S116 WeakPolarHBondContact CD2-OG 3.49Å; Q112-S116 PolarHBondContact O-N 3.17Å; I113-S116 WeakPolarHBondContact O-CB 3.14Å; I113-S116 PolarHBondContact O-N 2.85Å; I113-S116 VanDerWaalsContact O-N 3.13Å; I113-S116 PolarHBondContact O-OG 3.37Å; I114-S116 PolarHBondContact O-N 3.3Å; S116-A118 PolarHBondContact O-N 2.86Å; S116-A118 WeakPolarHBondContact OG-CB 3.37Å; S116-A118 PolarHBondContact OG-N 3.23Å
117	Q	86.3	Confident	90.2	Very high	88 Å²	88	72.2 Å²	72.2	41%	0.411	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-71	-15.9	173.6	-59.9	-174.2	13.1	0	0	113.2	E89 V119 R120	E89-Q117 PolarHBondContact OE2-NE2 3.06Å; Q117-V119 PolarHBondContact O-N 2.69Å; Q117-R120 PolarHBondContact O-N 2.81Å
118	A	87.5	Confident	90.1	Very high	2 Å²	2	67.1 Å²	67.1	2%	0.017	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-60	-28.9	179.3	0	0	0	0	0	112	L84 F87 S116 R120 R121 I122	L84-A118 HydrophobicContact CD2-CB 3.74Å; F87-A118 HydrophobicContact CB-CB 3.74Å; F87-A118 HydrophobicContact CD2-CB 4.31Å; F87-A118 HydrophobicContact CG-CB 4.3Å; S116-A118 PolarHBondContact O-N 2.86Å; S116-A118 WeakPolarHBondContact OG-CB 3.37Å; S116-A118 PolarHBondContact OG-N 3.23Å; A118-R120 PolarHBondContact O-N 3.04Å; A118-R120 VanDerWaalsContact O-N 3.09Å; A118-R121 PolarHBondContact O-N 2.85Å; A118-I122 HydrophobicContact CB-CD1 4.36Å; A118-I122 WeakPolarHBondContact O-CG1 3.35Å; A118-I122 PolarHBondContact O-N 3.22Å; A118-I122 VanDerWaalsContact O-N 3.09Å
119	V	88.8	Confident	89.9	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.358	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-53.7	-33.1	177.8	130.1	0	0	0	0	112.9	I113 I114 Q117 R121 I122	I113-V119 HydrophobicContact CG2-CG2 4.23Å; I114-V119 HydrophobicContact CG1-CG2 4.45Å; Q117-V119 PolarHBondContact O-N 2.69Å; V119-R121 PolarHBondContact O-N 2.79Å; V119-I122 PolarHBondContact O-N 2.86Å
120	R	88.5	Confident	89.7	Confident	221 Å²	221	61.8 Å²	61.8	83%	0.834	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.6	-20.9	179.3	-62.8	-176.2	-178.4	-171.9	2	113.2	Q117 A118	Q117-R120 PolarHBondContact O-N 2.81Å; A118-R120 PolarHBondContact O-N 3.04Å; A118-R120 VanDerWaalsContact O-N 3.09Å
121	R	90.1	Very high	89.6	Confident	88 Å²	88	59.8 Å²	59.8	33%	0.332	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-14	-179.2	-66	-176.5	179.5	-79.8	-4	112.9	F87 P92 S95 A96 A97 A118 V119 M123	F87-R121 HydrophobicContact CD1-CB 4.04Å; F87-R121 VanDerWaalsContact CD1-CD 3.49Å; F87-R121 HydrophobicContact CD1-CG 4.41Å; F87-R121 HydrophobicContact CE1-CB 4.29Å; P92-R121 VanDerWaalsContact CG-CZ 3.48Å; S95-R121 PolarHBondContact O-NH1 2.96Å; A96-R121 WeakPolarHBondContact CA-O 3.47Å; A97-R121 PolarHBondContact N-O 2.84Å; A118-R121 PolarHBondContact O-N 2.85Å; V119-R121 PolarHBondContact O-N 2.79Å; R121-M123 PolarHBondContact O-N 3.06Å
122	I	91.6	Very high	89.4	Confident	24 Å²	24	55.4 Å²	55.4	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.5	175.4	-65.4	167.4	0	0	0	108.3	A97 V99 I113 A118 V119 M125	A97-I122 HydrophobicContact CB-CG1 4.1Å; A97-I122 CarbonylContact O-C 3.36Å; A97-I122 WeakPolarHBondContact O-CA 3.29Å; V99-I122 HydrophobicContact CG2-CD1 4.43Å; V99-I122 HydrophobicContact CG2-CG1 4.28Å; V99-I122 HydrophobicContact CG2-CG2 4.22Å; I113-I122 HydrophobicContact CG2-CD1 3.54Å; A118-I122 HydrophobicContact CB-CD1 4.36Å; A118-I122 WeakPolarHBondContact O-CG1 3.35Å; A118-I122 PolarHBondContact O-N 3.22Å; A118-I122 VanDerWaalsContact O-N 3.09Å; V119-I122 PolarHBondContact O-N 2.86Å; I122-M125 HydrophobicContact CD1-CE 4.2Å; I122-M125 HydrophobicContact CG2-CB 4.36Å; I122-M125 HydrophobicContact CG2-CE 4.28Å
123	M	89.6	Confident	89.3	Confident	117 Å²	117	52.3 Å²	52.3	58%	0.576	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	-35.1	-179.1	-68.6	-64.7	-64.7	0	0	112.2	A96 A97 R121	A96-M123 HydrophobicContact CB-CG 3.85Å; A97-M123 PolarHBondContact O-N 2.99Å; R121-M123 PolarHBondContact O-N 3.06Å
124	N	89.3	Confident	89.2	Confident	55 Å²	55	52.3 Å²	52.3	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.4	178.6	-74.1	-51.4	0	0	0	109.5	V99	V99-N124 PolarHBondContact N-O 3.26Å
125	M	90.4	Very high	89	Confident	63 Å²	63	52.3 Å²	52.3	31%	0.31	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.3	170.6	-170.9	-176.3	-63.4	0	0	108	V99 F101 L110 I113 I122	V99-M125 HydrophobicContact CB-CG 4.38Å; V99-M125 CarbonylContact O-C 3.6Å; V99-M125 VanDerWaalsContact O-CA 3.25Å; V99-M125 WeakPolarHBondContact O-CA 3.3Å; F101-M125 HydrophobicContact CD2-CG 4.09Å; F101-M125 HydrophobicContact CE2-CG 3.66Å; F101-M125 HydrophobicContact CE2-SD 3.7Å; L110-M125 HydrophobicContact CD1-CE 4.32Å; L110-M125 HydrophobicContact CD1-SD 3.56Å; L110-M125 VanDerWaalsContact CD1-SD 3.56Å; I113-M125 HydrophobicContact CB-CE 4.48Å; I113-M125 HydrophobicContact CD1-CE 4.14Å; I113-M125 HydrophobicContact CG2-CE 3.71Å; I122-M125 HydrophobicContact CD1-CE 4.2Å; I122-M125 HydrophobicContact CG2-CB 4.36Å; I122-M125 HydrophobicContact CG2-CE 4.28Å
126	I	90.7	Very high	88.7	Confident	39 Å²	39	54 Å²	54	20%	0.2	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.6	-174.2	-54.5	177.6	0	0	0	109.8	K18 V99 F100 F101	K18-I126 HydrophobicContact CD-CD1 3.64Å; V99-I126 PolarHBondContact O-N 3.32Å; F100-I126 CarbonylContact C-O 3.57Å; F100-I126 VanDerWaalsContact CA-O 3.31Å; F100-I126 WeakPolarHBondContact CA-O 3.3Å; F100-I126 HydrophobicContact CD1-CB 3.98Å; F100-I126 HydrophobicContact CD1-CD1 4.36Å; F100-I126 HydrophobicContact CE1-CB 4.26Å; F100-I126 HydrophobicContact CE1-CD1 3.76Å; F100-I126 HydrophobicContact CE1-CG1 4.34Å; F101-I126 PolarHBondContact N-O 2.73Å
127	Q	89.8	Confident	88.3	Confident	83 Å²	83	55.1 Å²	55.1	39%	0.388	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.9	167.5	175.5	-178	-23.2	0	0	109.9	S129	Q127-S129 PolarHBondContact NE2-OG 2.8Å
128	L	88.3	Confident	88.1	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	28%	0.279	C	S	.	.			trans	-88.7	-28.8	179.4	-64.9	173.5	0	0	0	113.1	L11 H14 V15 I72 F100 F101 V130	L11-L128 HydrophobicContact CD2-CD1 3.76Å; H14-L128 HydrophobicContact CB-CD2 3.79Å; V15-L128 HydrophobicContact CG2-CD1 3.82Å; V15-L128 HydrophobicContact CG2-CD2 3.64Å; V15-L128 HydrophobicContact CG2-CG 4.35Å; I72-L128 HydrophobicContact CG2-CD1 4.29Å; F100-L128 HydrophobicContact CB-CD1 3.82Å; F100-L128 HydrophobicContact CB-CG 4.14Å; F100-L128 HydrophobicContact CD1-CD2 4.08Å; F100-L128 HydrophobicContact CD1-CG 4.42Å; F101-L128 WeakPolarHBondContact O-CB 3.48Å; F101-L128 PolarHBondContact O-N 2.94Å; L128-V130 HydrophobicContact CB-CG2 3.71Å; L128-V130 HydrophobicContact CD1-CG2 4.27Å
129	S	86.5	Confident	88.1	Confident	8 Å²	8	62.3 Å²	62.3	6%	0.056	30%	0.299	C	S	.	.			trans	55.3	51.1	-173.8	-49.3	0	0	0	0	112.7	L102 Q127 S174 T178	L102-S129 CarbonylContact O-C 3.57Å; L102-S129 WeakPolarHBondContact O-CA 3.45Å; L102-S129 PolarHBondContact O-N 3.31Å; L102-S129 VanDerWaalsContact O-N 3.12Å; Q127-S129 PolarHBondContact NE2-OG 2.8Å; S129-S174 WeakPolarHBondContact O-CB 3.4Å; S129-T178 PolarHBondContact O-OG1 3.03Å
130	V	87.8	Confident	88.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	30%	0.297	C	S	.	.			trans	-132.2	53.2	177.2	-65.8	0	0	0	0	110.2	L11 L102 L128 F132	L11-V130 HydrophobicContact CD2-CG2 4.18Å; L102-V130 HydrophobicContact CD2-CG2 3.87Å; L102-V130 PolarHBondContact O-N 3.24Å; L128-V130 HydrophobicContact CB-CG2 3.71Å; L128-V130 HydrophobicContact CD1-CG2 4.27Å; V130-F132 VanDerWaalsContact C-N 3.26Å; V130-F132 PolarHBondContact O-N 3.45Å; V130-F132 VanDerWaalsContact O-N 3.16Å
131	D	88.9	Confident	88.1	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.053	27%	0.27	C	S	.	.			trans	-90.9	51	-175.8	-162	-1.9	0	0	0	112.6	R74 L102 S103 Q171 S174	R74-D131 IonicContact CZ-OD1 2.62Å; R74-D131 IonicContact NE-OD1 3.52Å; R74-D131 PolarHBondContact NE-OD1 3.15Å; R74-D131 IonicContact NE-OD2 3.04Å; R74-D131 IonicContact NH2-OD1 3.86Å; R74-D131 PolarHBondContact NH2-OD1 3.21Å; L102-D131 HydrophobicContact CB-CB 4.21Å; S103-D131 VanDerWaalsContact CB-OD2 3.23Å; S103-D131 WeakPolarHBondContact CB-OD2 3.32Å; S103-D131 PolarHBondContact OG-OD2 2.73Å; D131-Q171 HydrophobicContact CB-CG 4.09Å; D131-Q171 WeakPolarHBondContact O-CB 3.42Å; D131-Q171 WeakPolarHBondContact O-CG 3.42Å; D131-Q171 PolarHBondContact O-NE2 3.38Å; D131-S174 PolarHBondContact N-OG 3.35Å
132	F	89.9	Confident	87.9	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.262	C	S	.	.	S	Bend	trans	-153	156.6	177	62.2	-86.7	0	0	0	110.1	L3 V7 V37 V130 P134 L142 S174 V175 T178	L3-F132 HydrophobicContact CD1-CE2 3.8Å; L3-F132 HydrophobicContact CD1-CZ 3.98Å; L3-F132 HydrophobicContact CD2-CD2 4.3Å; L3-F132 HydrophobicContact CD2-CE2 3.76Å; L3-F132 HydrophobicContact CG-CE2 3.89Å; V7-F132 HydrophobicContact CG2-CE2 3.68Å; V7-F132 HydrophobicContact CG2-CZ 3.57Å; V37-F132 VanDerWaalsContact CG2-O 3.26Å; V37-F132 WeakPolarHBondContact CG2-O 3.09Å; V130-F132 VanDerWaalsContact C-N 3.26Å; V130-F132 PolarHBondContact O-N 3.45Å; V130-F132 VanDerWaalsContact O-N 3.16Å; F132-P134 HydrophobicContact CE2-CB 4.46Å; F132-P134 WeakPolarHBondContact O-CD 3.12Å; F132-L142 HydrophobicContact CB-CD2 3.95Å; F132-S174 WeakPolarHBondContact CD1-OG 3.42Å; F132-V175 HydrophobicContact CB-CG2 3.93Å; F132-V175 HydrophobicContact CD1-CB 4.32Å; F132-V175 HydrophobicContact CD1-CG2 3.4Å; F132-V175 VanDerWaalsContact CD1-CG2 3.4Å; F132-V175 HydrophobicContact CD2-CG2 3.87Å; F132-V175 HydrophobicContact CE1-CB 4.26Å; F132-V175 HydrophobicContact CE1-CG2 3.78Å; F132-V175 HydrophobicContact CE2-CG2 4.22Å; F132-V175 HydrophobicContact CG-CG2 3.44Å; F132-V175 VanDerWaalsContact CG-CG2 3.44Å; F132-V175 HydrophobicContact CZ-CG2 4.17Å; F132-T178 HydrophobicContact CZ-CG2 4.14Å
133	I	89.1	Confident	87.4	Confident	9 Å²	9	53 Å²	53	5%	0.046	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.7	177.1	-59.4	175.4	0	0	0	109	R36 V37 L135 Y140 S141 E143	R36-I133 HydrophobicContact CB-CD1 3.51Å; R36-I133 HydrophobicContact CB-CG1 4.07Å; R36-I133 HydrophobicContact CG-CD1 4.16Å; V37-I133 HydrophobicContact CG2-CG1 4.16Å; I133-L135 HydrophobicContact CG2-CD2 3.91Å; I133-L135 PolarHBondContact O-N 3.5Å; I133-Y140 CarbonylContact O-C 3.58Å; I133-Y140 WeakPolarHBondContact O-CA 3.43Å; I133-S141 PolarHBondContact N-O 2.97Å; I133-S141 PolarHBondContact O-N 3.5Å; I133-E143 HydrophobicContact CD1-CG 3.49Å; I133-E143 VanDerWaalsContact CD1-CG 3.49Å; I133-E143 VanDerWaalsContact CD1-OE1 3.24Å; I133-E143 WeakPolarHBondContact CD1-OE1 3.34Å; I133-E143 WeakPolarHBondContact CD1-OE2 3.31Å; I133-E143 HydrophobicContact CG1-CG 4.32Å
134	P	88.4	Confident	86.7	Confident	1 Å²	1	49 Å²	49	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	108.2	169.9	31.9	-32.9	0	0	0	108.8	L3 I4 V7 S40 F132	L3-P134 HydrophobicContact CD2-CB 4.01Å; L3-P134 HydrophobicContact CG-CB 4.08Å; I4-P134 HydrophobicContact CG1-CB 3.85Å; I4-P134 HydrophobicContact CG1-CG 4.38Å; V7-P134 HydrophobicContact CB-CG 4.44Å; V7-P134 HydrophobicContact CG1-CG 4.45Å; V7-P134 HydrophobicContact CG2-CG 4.25Å; S40-P134 WeakPolarHBondContact CB-O 3.28Å; F132-P134 HydrophobicContact CE2-CB 4.46Å; F132-P134 WeakPolarHBondContact O-CD 3.12Å
135	L	86.9	Confident	85.6	Confident	96 Å²	96	52.3 Å²	52.3	50%	0.503	28%	0.275	S	S	.	.			trans	-82.6	-40.6	179.3	-65.5	177	0	0	0	111.2	I133 L139	I133-L135 HydrophobicContact CG2-CD2 3.91Å; I133-L135 PolarHBondContact O-N 3.5Å; L135-L139 HydrophobicContact CB-CB 4.38Å; L135-L139 HydrophobicContact CB-CD2 4.1Å; L135-L139 HydrophobicContact CB-CG 4.1Å; L135-L139 HydrophobicContact CD1-CD2 4.05Å; L135-L139 HydrophobicContact CD1-CG 4.14Å; L135-L139 PolarHBondContact N-O 3.25Å
136	E	84.6	Confident	84.4	Confident	126 Å²	126	53.8 Å²	53.8	59%	0.589	28%	0.281	S	S	*	.	S	Bend	trans	-142.3	-178	176.5	-56.5	-174.3	167.4	0	0	110.1	H138 L139	E136-H138 PolarHBondContact O-N 3.49Å; E136-H138 VanDerWaalsContact O-N 3.08Å; E136-L139 HydrophobicContact CB-CB 3.89Å; E136-L139 HydrophobicContact CG-CB 4.22Å; E136-L139 HydrophobicContact CG-CD2 4.37Å; E136-L139 PolarHBondContact N-O 3.49Å; E136-L139 PolarHBondContact O-N 2.95Å
137	S	81.8	Confident	83.4	Confident	52 Å²	52	53.8 Å²	53.8	36%	0.364	28%	0.284	S	S	.	.	S	Bend	trans	-57.9	-26	179.7	-68.4	0	0	0	0	114.1	S2 L3	S2-S137 WeakPolarHBondContact OG-CA 3.33Å; S2-S137 WeakPolarHBondContact OG-CB 3.23Å; S2-S137 PolarHBondContact OG-OG 3.23Å; L3-S137 WeakPolarHBondContact CB-O 3.42Å; L3-S137 PolarHBondContact N-O 2.7Å
138	H	81.8	Confident	82.4	Confident	158 Å²	158	51.9 Å²	51.9	73%	0.731	28%	0.283	S	S	*	.	S	Bend	trans	-131.9	6.6	-178.4	-58.5	-60.7	0	0	0	113.3	E136	E136-H138 PolarHBondContact O-N 3.49Å; E136-H138 VanDerWaalsContact O-N 3.08Å
139	L	87	Confident	81.5	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.435	30%	0.296	S	S	.	.			trans	-119.9	132.6	-178	-175.5	64.9	0	0	0	109.5	L135 E136	L135-L139 HydrophobicContact CB-CB 4.38Å; L135-L139 HydrophobicContact CB-CD2 4.1Å; L135-L139 HydrophobicContact CB-CG 4.1Å; L135-L139 HydrophobicContact CD1-CD2 4.05Å; L135-L139 HydrophobicContact CD1-CG 4.14Å; L135-L139 PolarHBondContact N-O 3.25Å; E136-L139 HydrophobicContact CB-CB 3.89Å; E136-L139 HydrophobicContact CG-CB 4.22Å; E136-L139 HydrophobicContact CG-CD2 4.37Å; E136-L139 PolarHBondContact N-O 3.49Å; E136-L139 PolarHBondContact O-N 2.95Å
140	Y	89	Confident	80.7	Confident	77 Å²	77	54.7 Å²	54.7	30%	0.302	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.5	175	60.1	-89.2	0	0	0	111.3	L3 I133 L142 L172 V175	L3-Y140 HydrophobicContact CD2-CD1 4.06Å; L3-Y140 HydrophobicContact CD2-CG 4.27Å; I133-Y140 CarbonylContact O-C 3.58Å; I133-Y140 WeakPolarHBondContact O-CA 3.43Å; Y140-L142 HydrophobicContact CD2-CD2 3.79Å; Y140-L142 HydrophobicContact CD2-CG 4.42Å; Y140-L142 HydrophobicContact CE2-CD2 3.86Å; Y140-L142 HydrophobicContact CE2-CG 4.36Å; Y140-L172 HydrophobicContact CE2-CD2 4.2Å; Y140-V175 HydrophobicContact CD1-CG1 4.13Å; Y140-V175 HydrophobicContact CD2-CG2 3.87Å; Y140-V175 HydrophobicContact CE1-CG1 3.92Å; Y140-V175 HydrophobicContact CE2-CG2 3.93Å; Y140-V175 HydrophobicContact CG-CG2 4.22Å
141	S	88.8	Confident	79.8	Confident	40 Å²	40	57.8 Å²	57.8	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.2	173.3	178.9	0	0	0	0	110.2	I133 E143	I133-S141 PolarHBondContact N-O 2.97Å; I133-S141 PolarHBondContact O-N 3.5Å; S141-E143 PolarHBondContact OG-N 2.49Å
142	L	86.1	Confident	79	Confident	29 Å²	29	63.7 Å²	63.7	15%	0.152	33%	0.332	C	S	.	.			trans	-90.3	-6.7	175.1	-51.8	-178.1	0	0	0	112.2	F132 Y140 A144 I168 Q171 L172 V175	F132-L142 HydrophobicContact CB-CD2 3.95Å; Y140-L142 HydrophobicContact CD2-CD2 3.79Å; Y140-L142 HydrophobicContact CD2-CG 4.42Å; Y140-L142 HydrophobicContact CE2-CD2 3.86Å; Y140-L142 HydrophobicContact CE2-CG 4.36Å; L142-A144 PolarHBondContact O-N 3.38Å; L142-A144 VanDerWaalsContact O-N 3.09Å; L142-I168 HydrophobicContact CD1-CG2 3.92Å; L142-Q171 HydrophobicContact CD2-CB 3.82Å; L142-Q171 PolarHBondContact O-NE2 3.34Å; L142-Q171 PolarHBondContact O-OE1 3.07Å; L142-L172 HydrophobicContact CD1-CD2 3.83Å; L142-L172 HydrophobicContact CD1-CG 3.81Å; L142-V175 HydrophobicContact CD2-CG2 4.46Å
143	E	80.4	Confident	78.1	Confident	52 Å²	52	66.9 Å²	66.9	24%	0.243	35%	0.349	C	S	.	.			trans	51.7	28	-174.6	-61.5	-161.5	124.6	0	0	115.2	R36 I133 S141 T145	R36-E143 WeakPolarHBondContact CD-OE1 3.38Å; R36-E143 IonicContact CZ-OE1 3.45Å; R36-E143 IonicContact NE-OE1 3.66Å; R36-E143 PolarHBondContact NE-OE1 2.88Å; R36-E143 IonicContact NH1-OE1 3.55Å; R36-E143 PolarHBondContact NH1-OE1 2.86Å; I133-E143 HydrophobicContact CD1-CG 3.49Å; I133-E143 VanDerWaalsContact CD1-CG 3.49Å; I133-E143 VanDerWaalsContact CD1-OE1 3.24Å; I133-E143 WeakPolarHBondContact CD1-OE1 3.34Å; I133-E143 WeakPolarHBondContact CD1-OE2 3.31Å; I133-E143 HydrophobicContact CG1-CG 4.32Å; S141-E143 PolarHBondContact OG-N 2.49Å; E143-T145 PolarHBondContact O-N 2.99Å
144	A	74.3	Confident	77.2	Confident	32 Å²	32	70.1 Å²	70.1	26%	0.264	37%	0.37	S	S	.	.			trans	-79.6	68.1	172.9	0	0	0	0	0	109.8	L142 E146 S147 I168	L142-A144 PolarHBondContact O-N 3.38Å; L142-A144 VanDerWaalsContact O-N 3.09Å; A144-E146 PolarHBondContact O-N 3.32Å; A144-E146 VanDerWaalsContact O-N 3.14Å; A144-S147 WeakPolarHBondContact O-CB 3.26Å; A144-S147 PolarHBondContact O-N 3.39Å; A144-S147 PolarHBondContact O-OG 2.87Å; A144-I168 HydrophobicContact CB-CD1 4.15Å; A144-I168 HydrophobicContact CB-CG1 4.01Å
145	T	66.9	Low	76.2	Confident	124 Å²	124	72.8 Å²	72.8	76%	0.761	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.2	-176.8	47.2	0	0	0	0	113	E143	E143-T145 PolarHBondContact O-N 2.99Å
146	E	66.2	Low	75.3	Confident	95 Å²	95	74.8 Å²	74.8	44%	0.444	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6	-179.1	-66.8	179.8	-144.6	0	0	113.3	A144 A148 Q149 R164	A144-E146 PolarHBondContact O-N 3.32Å; A144-E146 VanDerWaalsContact O-N 3.14Å; E146-A148 PolarHBondContact O-N 3.28Å; E146-A148 VanDerWaalsContact O-N 3.13Å; E146-Q149 VanDerWaalsContact O-CB 3.32Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 3.49Å; E146-R164 VanDerWaalsContact CD-NH2 3.32Å; E146-R164 IonicContact OE2-CZ 3.06Å; E146-R164 IonicContact OE2-NH1 2.82Å; E146-R164 IonicContact OE2-NH2 2.81Å; E146-R164 PolarHBondContact OE2-NH2 3.32Å
147	S	68.8	Low	74.7	Confident	38 Å²	38	73.7 Å²	73.7	27%	0.266	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-25.8	174.6	60.3	0	0	0	0	112.8	A144 Q149 L150 Y151	A144-S147 WeakPolarHBondContact O-CB 3.26Å; A144-S147 PolarHBondContact O-N 3.39Å; A144-S147 PolarHBondContact O-OG 2.87Å; S147-Q149 PolarHBondContact O-N 2.86Å; S147-L150 VanDerWaalsContact O-CB 3.24Å; S147-L150 WeakPolarHBondContact O-CB 3.39Å; S147-L150 PolarHBondContact O-N 3.49Å; S147-Y151 WeakPolarHBondContact O-CD2 3.26Å
148	A	68.1	Low	74.3	Confident	44 Å²	44	71.7 Å²	71.7	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-53.6	-42.2	172.9	0	0	0	0	0	111.2	E146 L150 Y151 F152	E146-A148 PolarHBondContact O-N 3.28Å; E146-A148 VanDerWaalsContact O-N 3.13Å; A148-L150 PolarHBondContact O-N 3.41Å; A148-Y151 PolarHBondContact O-N 2.9Å; A148-F152 HydrophobicContact CB-CD2 3.93Å; A148-F152 HydrophobicContact CB-CE2 4.09Å; A148-F152 WeakPolarHBondContact O-CD2 3.39Å; A148-F152 PolarHBondContact O-N 2.93Å
149	Q	70.4	Confident	74.1	Confident	76 Å²	76	72.7 Å²	72.7	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-35.1	179.2	-63.5	175.6	-3.8	0	0	111.8	E146 S147 Y151 F152 L153	E146-Q149 VanDerWaalsContact O-CB 3.32Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 3.49Å; S147-Q149 PolarHBondContact O-N 2.86Å; Q149-Y151 PolarHBondContact O-N 3.16Å; Q149-F152 PolarHBondContact O-N 3.04Å; Q149-L153 HydrophobicContact CB-CD1 3.92Å; Q149-L153 HydrophobicContact CB-CG 4.45Å; Q149-L153 HydrophobicContact CG-CD1 4.06Å; Q149-L153 WeakPolarHBondContact O-CB 3.47Å; Q149-L153 PolarHBondContact O-N 3.47Å
150	L	69.4	Low	73.8	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-26.5	178.5	-56.8	171.6	0	0	0	113.7	S147 A148 V158 K161 R164 I165 I168	S147-L150 VanDerWaalsContact O-CB 3.24Å; S147-L150 WeakPolarHBondContact O-CB 3.39Å; S147-L150 PolarHBondContact O-N 3.49Å; A148-L150 PolarHBondContact O-N 3.41Å; L150-V158 HydrophobicContact CD2-CG1 4.23Å; L150-K161 HydrophobicContact CD2-CB 4.22Å; L150-K161 HydrophobicContact CD2-CG 3.77Å; L150-R164 HydrophobicContact CD1-CB 3.93Å; L150-R164 HydrophobicContact CD2-CB 3.73Å; L150-R164 HydrophobicContact CD2-CG 4.4Å; L150-R164 HydrophobicContact CG-CB 4.37Å; L150-I165 HydrophobicContact CD1-CG1 4.28Å; L150-I168 HydrophobicContact CD1-CD1 3.58Å
151	Y	70.3	Confident	73.5	Confident	67 Å²	67	70.3 Å²	70.3	26%	0.263	38%	0.379	S	S	.	.	H	α-helix	trans	-109.1	-15.1	-175.6	-68.7	-73.9	0	0	0	114.2	S147 A148 Q149 N193 K227	S147-Y151 WeakPolarHBondContact O-CD2 3.26Å; A148-Y151 PolarHBondContact O-N 2.9Å; Q149-Y151 PolarHBondContact O-N 3.16Å; Y151-N193 WeakPolarHBondContact CE1-OD1 3.35Å; Y151-N193 PolarHBondContact OH-OD1 3.35Å; Y151-K227 HydrophobicContact CD1-CD 4.47Å; Y151-K227 HydrophobicContact CG-CD 4.39Å; Y151-K227 PolarHBondContact O-NZ 3.01Å
152	F	71.3	Confident	73.3	Confident	134 Å²	134	73.8 Å²	73.8	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-109.8	-27.1	-178.2	-68.1	-67.6	0	0	0	113.1	A148 Q149 K227	A148-F152 HydrophobicContact CB-CD2 3.93Å; A148-F152 HydrophobicContact CB-CE2 4.09Å; A148-F152 WeakPolarHBondContact O-CD2 3.39Å; A148-F152 PolarHBondContact O-N 2.93Å; Q149-F152 PolarHBondContact O-N 3.04Å; F152-K227 VanDerWaalsContact CZ-CE 3.49Å; F152-K227 VanDerWaalsContact CZ-NZ 3.33Å
153	L	71.6	Confident	73.2	Confident	67 Å²	67	75.7 Å²	75.7	35%	0.351	41%	0.41	S	S	.	.	S	Bend	trans	-97.3	139.9	179.9	-59.2	178.2	0	0	0	110.8	Q149 I157 V158	Q149-L153 HydrophobicContact CB-CD1 3.92Å; Q149-L153 HydrophobicContact CB-CG 4.45Å; Q149-L153 HydrophobicContact CG-CD1 4.06Å; Q149-L153 WeakPolarHBondContact O-CB 3.47Å; Q149-L153 PolarHBondContact O-N 3.47Å; L153-I157 HydrophobicContact CB-CB 4.41Å; L153-I157 HydrophobicContact CD1-CG2 4.16Å; L153-V158 HydrophobicContact CB-CG2 3.84Å; L153-V158 HydrophobicContact CD1-CG2 4.03Å
154	P	68.9	Low	73.4	Confident	77 Å²	77	74.9 Å²	74.9	50%	0.5	41%	0.405	S	S	.	.			trans	-53	145.9	167.9	-25.3	33.9	0	0	0	111.5	D156 I157	P154-D156 PolarHBondContact O-N 3.13Å; P154-I157 HydrophobicContact CG-CD1 4.39Å; P154-I157 PolarHBondContact O-N 2.88Å
155	S	67.3	Low	73.9	Confident	58 Å²	58	73.7 Å²	73.7	41%	0.406	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.1	-178.8	-56.9	0	0	0	0	113	I157 V158 K161	S155-I157 PolarHBondContact O-N 3.01Å; S155-V158 PolarHBondContact O-N 3.21Å; S155-K161 PolarHBondContact OG-NZ 3.33Å
156	D	68.3	Low	75	Confident	137 Å²	137	70.7 Å²	70.7	73%	0.733	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.1	179.7	-52.3	-29.1	0	0	0	113.4	P154 H159	P154-D156 PolarHBondContact O-N 3.13Å; D156-H159 PolarHBondContact O-CE1 3.5Å
157	I	72.5	Confident	75.9	Confident	103 Å²	103	71.6 Å²	71.6	53%	0.528	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.8	-179.6	-55.2	-175.9	0	0	0	111.2	L153 P154 S155	L153-I157 HydrophobicContact CB-CB 4.41Å; L153-I157 HydrophobicContact CD1-CG2 4.16Å; P154-I157 HydrophobicContact CG-CD1 4.39Å; P154-I157 PolarHBondContact O-N 2.88Å; S155-I157 PolarHBondContact O-N 3.01Å
158	V	73.3	Confident	76.9	Confident	10 Å²	10	70.5 Å²	70.5	6%	0.061	37%	0.368	C	S	.	.			trans	-107	82.6	-173.3	-171	0	0	0	0	109.1	L150 L153 S155 D160 K161	L150-V158 HydrophobicContact CD2-CG1 4.23Å; L153-V158 HydrophobicContact CB-CG2 3.84Å; L153-V158 HydrophobicContact CD1-CG2 4.03Å; S155-V158 PolarHBondContact O-N 3.21Å; V158-D160 VanDerWaalsContact CG1-OD1 3.27Å; V158-D160 WeakPolarHBondContact CG1-OD1 3.41Å; V158-D160 PolarHBondContact O-N 3.06Å; V158-D160 VanDerWaalsContact O-N 3.16Å; V158-K161 HydrophobicContact CB-CB 4.24Å; V158-K161 HydrophobicContact CG1-CB 4Å; V158-K161 VanDerWaalsContact O-CB 3.3Å; V158-K161 WeakPolarHBondContact O-CB 3.31Å; V158-K161 PolarHBondContact O-N 3.37Å; V158-K161 VanDerWaalsContact O-N 3.13Å
159	H	76.6	Confident	77.9	Confident	179 Å²	179	68.4 Å²	68.4	83%	0.829	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.1	-176.7	-65.1	-47.2	0	0	0	114	D156	D156-H159 PolarHBondContact O-CE1 3.5Å
160	D	81.6	Confident	78.8	Confident	81 Å²	81	66.5 Å²	66.5	43%	0.433	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	14.5	-179.2	68.6	-19.5	0	0	0	113.5	V158 L162 S163 R164	V158-D160 VanDerWaalsContact CG1-OD1 3.27Å; V158-D160 WeakPolarHBondContact CG1-OD1 3.41Å; V158-D160 PolarHBondContact O-N 3.06Å; V158-D160 VanDerWaalsContact O-N 3.16Å; D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.34Å; D160-L162 VanDerWaalsContact O-N 3.14Å; D160-S163 WeakPolarHBondContact O-CB 3.18Å; D160-S163 PolarHBondContact O-N 3.13Å; D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 3.44Å; D160-R164 VanDerWaalsContact O-N 3.14Å; D160-R164 WeakPolarHBondContact OD1-CD 3.23Å; D160-R164 WeakPolarHBondContact OD2-CD 3.33Å
161	K	82.1	Confident	79.8	Confident	29 Å²	29	67 Å²	67	13%	0.126	34%	0.344	C	S	.	.	H	α-helix	trans	-48.2	-46.7	-175	-174	-178.4	-175.8	-174.5	0	113.2	L150 S155 V158 R164 I165 S192	L150-K161 HydrophobicContact CD2-CB 4.22Å; L150-K161 HydrophobicContact CD2-CG 3.77Å; S155-K161 PolarHBondContact OG-NZ 3.33Å; V158-K161 HydrophobicContact CB-CB 4.24Å; V158-K161 HydrophobicContact CG1-CB 4Å; V158-K161 VanDerWaalsContact O-CB 3.3Å; V158-K161 WeakPolarHBondContact O-CB 3.31Å; V158-K161 PolarHBondContact O-N 3.37Å; V158-K161 VanDerWaalsContact O-N 3.13Å; K161-R164 PolarHBondContact O-N 3.44Å; K161-I165 HydrophobicContact CG-CD1 3.96Å; K161-I165 VanDerWaalsContact O-CG1 3.28Å; K161-I165 WeakPolarHBondContact O-CG1 3.46Å; K161-I165 PolarHBondContact O-N 3.32Å; K161-S192 VanDerWaalsContact CE-OG 3.22Å; K161-S192 WeakPolarHBondContact CE-OG 3.35Å; K161-S192 PolarHBondContact NZ-OG 3Å; K161-S192 VanDerWaalsContact NZ-OG 3.11Å
162	L	84.1	Confident	80.7	Confident	114 Å²	114	64.6 Å²	64.6	60%	0.597	34%	0.336	S	S	*	.	H	α-helix	trans	-64.4	-41.9	-179.6	-72	173.1	0	0	0	112.7	D160 R164 I165 D166 E195	D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.34Å; D160-L162 VanDerWaalsContact O-N 3.14Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.33Å; L162-I165 PolarHBondContact O-N 3.15Å; L162-D166 WeakPolarHBondContact O-CB 3.27Å; L162-D166 PolarHBondContact O-N 3.46Å; L162-E195 HydrophobicContact CD2-CG 3.95Å
163	S	85	Confident	81.6	Confident	68 Å²	68	58.3 Å²	58.3	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-41.2	177.8	-179.1	0	0	0	0	111.2	D160 D166 Q167	D160-S163 WeakPolarHBondContact O-CB 3.18Å; D160-S163 PolarHBondContact O-N 3.13Å; S163-D166 PolarHBondContact O-N 3.2Å; S163-Q167 WeakPolarHBondContact O-CG 3.32Å; S163-Q167 PolarHBondContact O-N 2.89Å
164	R	83.9	Confident	82.4	Confident	35 Å²	35	55.2 Å²	55.2	13%	0.132	29%	0.293	C	S	.	.	H	α-helix	trans	-70.5	-38.7	178.8	-59.2	179.4	75.5	154.8	53.6	112.2	E146 L150 D160 K161 L162 D166 Q167 I168	E146-R164 VanDerWaalsContact CD-NH2 3.32Å; E146-R164 IonicContact OE2-CZ 3.06Å; E146-R164 IonicContact OE2-NH1 2.82Å; E146-R164 IonicContact OE2-NH2 2.81Å; E146-R164 PolarHBondContact OE2-NH2 3.32Å; L150-R164 HydrophobicContact CD1-CB 3.93Å; L150-R164 HydrophobicContact CD2-CB 3.73Å; L150-R164 HydrophobicContact CD2-CG 4.4Å; L150-R164 HydrophobicContact CG-CB 4.37Å; D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 3.44Å; D160-R164 VanDerWaalsContact O-N 3.14Å; D160-R164 WeakPolarHBondContact OD1-CD 3.23Å; D160-R164 WeakPolarHBondContact OD2-CD 3.33Å; K161-R164 PolarHBondContact O-N 3.44Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.33Å; R164-D166 VanDerWaalsContact C-N 3.34Å; R164-Q167 PolarHBondContact O-N 3.49Å; R164-I168 WeakPolarHBondContact O-CG1 3.34Å; R164-I168 PolarHBondContact O-N 3.32Å; R164-I168 VanDerWaalsContact O-N 3.08Å
165	I	86.3	Confident	83.3	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.036	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-41.8	172.3	-67.3	172.4	0	0	0	110.1	L150 K161 L162 Q167 I168 A169 L196 L199	L150-I165 HydrophobicContact CD1-CG1 4.28Å; K161-I165 HydrophobicContact CG-CD1 3.96Å; K161-I165 VanDerWaalsContact O-CG1 3.28Å; K161-I165 WeakPolarHBondContact O-CG1 3.46Å; K161-I165 PolarHBondContact O-N 3.32Å; L162-I165 PolarHBondContact O-N 3.15Å; I165-Q167 PolarHBondContact O-N 2.88Å; I165-I168 PolarHBondContact O-N 3.46Å; I165-A169 WeakPolarHBondContact O-CB 3.43Å; I165-A169 PolarHBondContact O-N 2.9Å; I165-L196 HydrophobicContact CG2-CB 3.82Å; I165-L196 HydrophobicContact CG2-CD1 3.89Å; I165-L196 HydrophobicContact CG2-CG 4.46Å; I165-L199 HydrophobicContact CG2-CD1 3.84Å
166	D	88.1	Confident	84.2	Confident	62 Å²	62	49.4 Å²	49.4	33%	0.332	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-41	177.1	-171.2	73	0	0	0	112.4	L162 S163 R164 A169 E170 L199 K203	L162-D166 WeakPolarHBondContact O-CB 3.27Å; L162-D166 PolarHBondContact O-N 3.46Å; S163-D166 PolarHBondContact O-N 3.2Å; R164-D166 VanDerWaalsContact C-N 3.34Å; D166-A169 WeakPolarHBondContact O-CB 3.39Å; D166-A169 PolarHBondContact O-N 2.62Å; D166-E170 PolarHBondContact O-N 2.91Å; D166-L199 HydrophobicContact CB-CD1 4.27Å; D166-K203 WeakPolarHBondContact O-CE 3.28Å; D166-K203 WeakPolarHBondContact OD1-CE 3.4Å; D166-K203 IonicContact OD1-NZ 3.22Å; D166-K203 PolarHBondContact OD1-NZ 3.37Å; D166-K203 IonicContact OD2-NZ 2.79Å; D166-K203 PolarHBondContact OD2-NZ 3.29Å
167	Q	86.3	Confident	85	Confident	113 Å²	113	43.8 Å²	43.8	53%	0.528	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-49.5	172.8	-73.5	173.4	-0.5	0	0	111.4	S163 R164 I165 A169 E170 Q171	S163-Q167 WeakPolarHBondContact O-CG 3.32Å; S163-Q167 PolarHBondContact O-N 2.89Å; R164-Q167 PolarHBondContact O-N 3.49Å; I165-Q167 PolarHBondContact O-N 2.88Å; Q167-A169 PolarHBondContact O-N 2.76Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 2.82Å; Q167-Q171 VanDerWaalsContact O-CG 3.31Å; Q167-Q171 WeakPolarHBondContact O-CG 3.39Å; Q167-Q171 PolarHBondContact O-N 3.33Å
168	I	88.6	Confident	85.6	Confident	16 Å²	16	39.6 Å²	39.6	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-39	176.9	-64.8	167.5	0	0	0	110.6	L142 A144 L150 R164 I165 Q171 L172 L196	L142-I168 HydrophobicContact CD1-CG2 3.92Å; A144-I168 HydrophobicContact CB-CD1 4.15Å; A144-I168 HydrophobicContact CB-CG1 4.01Å; L150-I168 HydrophobicContact CD1-CD1 3.58Å; R164-I168 WeakPolarHBondContact O-CG1 3.34Å; R164-I168 PolarHBondContact O-N 3.32Å; R164-I168 VanDerWaalsContact O-N 3.08Å; I165-I168 PolarHBondContact O-N 3.46Å; I168-Q171 PolarHBondContact O-N 3.28Å; I168-L172 HydrophobicContact CG2-CD1 3.99Å; I168-L172 HydrophobicContact CG2-CG 4.36Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.12Å; I168-L172 PolarHBondContact O-N 2.89Å; I168-L196 HydrophobicContact CB-CD1 4.09Å; I168-L196 HydrophobicContact CG2-CD1 3.82Å; I168-L196 HydrophobicContact CG2-CD2 4.11Å
169	A	90	Very high	86.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-42.6	177.1	0	0	0	0	0	112.1	I165 D166 Q167 L172 A173 L196 L199 V200 K203	I165-A169 WeakPolarHBondContact O-CB 3.43Å; I165-A169 PolarHBondContact O-N 2.9Å; D166-A169 WeakPolarHBondContact O-CB 3.39Å; D166-A169 PolarHBondContact O-N 2.62Å; Q167-A169 PolarHBondContact O-N 2.76Å; A169-L172 PolarHBondContact O-N 3.41Å; A169-A173 VanDerWaalsContact O-CB 3.31Å; A169-A173 WeakPolarHBondContact O-CB 3.39Å; A169-A173 PolarHBondContact O-N 3.02Å; A169-L196 HydrophobicContact CB-CD1 3.85Å; A169-L199 HydrophobicContact CB-CB 3.61Å; A169-V200 HydrophobicContact CB-CG2 3.76Å; A169-K203 HydrophobicContact CB-CD 4.06Å
170	E	89.2	Confident	86.4	Confident	36 Å²	36	37.2 Å²	37.2	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.3	-171.9	73.1	-160.1	0	0	111.2	S104 D166 Q167 A173 S174 K203	S104-E170 VanDerWaalsContact CB-OE1 3.28Å; S104-E170 WeakPolarHBondContact CB-OE1 3.36Å; S104-E170 PolarHBondContact N-OE1 2.98Å; D166-E170 PolarHBondContact O-N 2.91Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 2.82Å; E170-A173 PolarHBondContact O-N 2.84Å; E170-S174 WeakPolarHBondContact O-CB 3.29Å; E170-S174 PolarHBondContact O-N 3.08Å; E170-K203 HydrophobicContact CB-CD 4.15Å; E170-K203 VanDerWaalsContact OE2-CD 3.29Å; E170-K203 WeakPolarHBondContact OE2-CD 3.23Å; E170-K203 WeakPolarHBondContact OE2-CE 3.44Å; E170-K203 IonicContact OE2-NZ 2.86Å; E170-K203 PolarHBondContact OE2-NZ 2.65Å
171	Q	90	Very high	86.5	Confident	14 Å²	14	34.3 Å²	34.3	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-43	179.5	-59.6	179.5	-65.9	0	0	111.4	D131 L142 Q167 I168 A173 S174 V175	D131-Q171 HydrophobicContact CB-CG 4.09Å; D131-Q171 WeakPolarHBondContact O-CB 3.42Å; D131-Q171 WeakPolarHBondContact O-CG 3.42Å; D131-Q171 PolarHBondContact O-NE2 3.38Å; L142-Q171 HydrophobicContact CD2-CB 3.82Å; L142-Q171 PolarHBondContact O-NE2 3.34Å; L142-Q171 PolarHBondContact O-OE1 3.07Å; Q167-Q171 VanDerWaalsContact O-CG 3.31Å; Q167-Q171 WeakPolarHBondContact O-CG 3.39Å; Q167-Q171 PolarHBondContact O-N 3.33Å; I168-Q171 PolarHBondContact O-N 3.28Å; Q171-A173 PolarHBondContact O-N 2.77Å; Q171-S174 WeakPolarHBondContact O-CB 3.33Å; Q171-S174 PolarHBondContact O-N 2.82Å; Q171-S174 PolarHBondContact O-OG 3.15Å; Q171-V175 PolarHBondContact O-N 2.67Å; Q171-V175 VanDerWaalsContact O-N 3.15Å
172	L	90.4	Very high	86.6	Confident	16 Å²	16	36.3 Å²	36.3	8%	0.084	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-42.3	174.6	-77.2	173.5	0	0	0	112.5	Y140 L142 I168 A169 S174 V175 C176 L196 V200	Y140-L172 HydrophobicContact CE2-CD2 4.2Å; L142-L172 HydrophobicContact CD1-CD2 3.83Å; L142-L172 HydrophobicContact CD1-CG 3.81Å; I168-L172 HydrophobicContact CG2-CD1 3.99Å; I168-L172 HydrophobicContact CG2-CG 4.36Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.12Å; I168-L172 PolarHBondContact O-N 2.89Å; A169-L172 PolarHBondContact O-N 3.41Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.26Å; L172-V175 PolarHBondContact O-N 3.47Å; L172-C176 PolarHBondContact O-N 3.47Å; L172-C176 PolarHBondContact O-SG 3.17Å; L172-C176 VanDerWaalsContact O-SG 3.32Å; L172-L196 HydrophobicContact CD1-CD1 4.25Å; L172-L196 HydrophobicContact CD1-CD2 4.14Å; L172-L196 HydrophobicContact CD1-CG 4.36Å; L172-V200 HydrophobicContact CB-CG2 4Å; L172-V200 HydrophobicContact CD1-CG2 4.04Å
173	A	89.2	Confident	86.7	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-41.6	174.9	0	0	0	0	0	110.7	A169 E170 Q171 V175 C176 I177 K203 L204	A169-A173 VanDerWaalsContact O-CB 3.31Å; A169-A173 WeakPolarHBondContact O-CB 3.39Å; A169-A173 PolarHBondContact O-N 3.02Å; E170-A173 PolarHBondContact O-N 2.84Å; Q171-A173 PolarHBondContact O-N 2.77Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.72Å; A173-C176 PolarHBondContact O-N 2.62Å; A173-C176 VanDerWaalsContact O-N 3.13Å; A173-I177 WeakPolarHBondContact O-CB 3.17Å; A173-I177 WeakPolarHBondContact O-CD1 3.37Å; A173-I177 VanDerWaalsContact O-CG1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.36Å; A173-I177 PolarHBondContact O-N 3.35Å; A173-K203 HydrophobicContact CB-CB 3.88Å; A173-L204 HydrophobicContact CB-CD2 4.06Å; A173-L204 HydrophobicContact CB-CG 4.4Å
174	S	88	Confident	86.8	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-34.4	178.9	81.4	0	0	0	0	113.4	S129 D131 F132 E170 Q171 L172 T178	S129-S174 WeakPolarHBondContact O-CB 3.4Å; D131-S174 PolarHBondContact N-OG 3.35Å; F132-S174 WeakPolarHBondContact CD1-OG 3.42Å; E170-S174 WeakPolarHBondContact O-CB 3.29Å; E170-S174 PolarHBondContact O-N 3.08Å; Q171-S174 WeakPolarHBondContact O-CB 3.33Å; Q171-S174 PolarHBondContact O-N 2.82Å; Q171-S174 PolarHBondContact O-OG 3.15Å; L172-S174 VanDerWaalsContact C-N 3.29Å; L172-S174 PolarHBondContact O-N 3.26Å; S174-T178 WeakPolarHBondContact O-CB 3.41Å; S174-T178 PolarHBondContact O-N 3.28Å; S174-T178 PolarHBondContact O-OG1 3.46Å
175	V	88.3	Confident	86.9	Confident	4 Å²	4	34 Å²	34	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-50.1	171.8	176.1	0	0	0	0	110.9	F132 Y140 L142 Q171 L172 A173 I177 T178 L179	F132-V175 HydrophobicContact CB-CG2 3.93Å; F132-V175 HydrophobicContact CD1-CB 4.32Å; F132-V175 HydrophobicContact CD1-CG2 3.4Å; F132-V175 VanDerWaalsContact CD1-CG2 3.4Å; F132-V175 HydrophobicContact CD2-CG2 3.87Å; F132-V175 HydrophobicContact CE1-CB 4.26Å; F132-V175 HydrophobicContact CE1-CG2 3.78Å; F132-V175 HydrophobicContact CE2-CG2 4.22Å; F132-V175 HydrophobicContact CG-CG2 3.44Å; F132-V175 VanDerWaalsContact CG-CG2 3.44Å; F132-V175 HydrophobicContact CZ-CG2 4.17Å; Y140-V175 HydrophobicContact CD1-CG1 4.13Å; Y140-V175 HydrophobicContact CD2-CG2 3.87Å; Y140-V175 HydrophobicContact CE1-CG1 3.92Å; Y140-V175 HydrophobicContact CE2-CG2 3.93Å; Y140-V175 HydrophobicContact CG-CG2 4.22Å; L142-V175 HydrophobicContact CD2-CG2 4.46Å; Q171-V175 PolarHBondContact O-N 2.67Å; Q171-V175 VanDerWaalsContact O-N 3.15Å; L172-V175 PolarHBondContact O-N 3.47Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.72Å; V175-I177 VanDerWaalsContact C-N 3.32Å; V175-I177 PolarHBondContact O-N 2.93Å; V175-T178 PolarHBondContact O-N 3.02Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.36Å
176	C	86.8	Confident	87	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.3	-179.3	-58.4	0	0	0	0	111.4	L172 A173 L179 Q180 E181 L204	L172-C176 PolarHBondContact O-N 3.47Å; L172-C176 PolarHBondContact O-SG 3.17Å; L172-C176 VanDerWaalsContact O-SG 3.32Å; A173-C176 PolarHBondContact O-N 2.62Å; A173-C176 VanDerWaalsContact O-N 3.13Å; C176-L179 CarbonylContact O-C 3.54Å; C176-L179 PolarHBondContact O-N 2.74Å; C176-Q180 PolarHBondContact O-N 3.11Å; C176-E181 PolarHBondContact O-N 3.23Å; C176-L204 HydrophobicContact CB-CD2 3.7Å
177	I	85.5	Confident	86.9	Confident	20 Å²	20	37.8 Å²	37.8	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.4	-71.3	163	0	0	0	110.9	A173 V175 L179 Q180 L204 Y207	A173-I177 WeakPolarHBondContact O-CB 3.17Å; A173-I177 WeakPolarHBondContact O-CD1 3.37Å; A173-I177 VanDerWaalsContact O-CG1 3.23Å; A173-I177 WeakPolarHBondContact O-CG1 3.36Å; A173-I177 PolarHBondContact O-N 3.35Å; V175-I177 VanDerWaalsContact C-N 3.32Å; V175-I177 PolarHBondContact O-N 2.93Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 3.38Å; I177-Q180 PolarHBondContact O-N 3.47Å; I177-L204 HydrophobicContact CG1-CD2 4.43Å; I177-Y207 HydrophobicContact CB-CE1 4.33Å; I177-Y207 HydrophobicContact CD1-CD1 4.12Å; I177-Y207 HydrophobicContact CD1-CD2 3.46Å; I177-Y207 VanDerWaalsContact CD1-CD2 3.46Å; I177-Y207 HydrophobicContact CD1-CE2 3.93Å; I177-Y207 HydrophobicContact CD1-CG 3.54Å; I177-Y207 HydrophobicContact CG1-CD1 3.71Å; I177-Y207 HydrophobicContact CG1-CD2 3.98Å; I177-Y207 HydrophobicContact CG1-CE1 3.99Å; I177-Y207 HydrophobicContact CG1-CE2 4.24Å; I177-Y207 HydrophobicContact CG1-CG 3.68Å; I177-Y207 HydrophobicContact CG2-CD1 4.21Å; I177-Y207 HydrophobicContact CG2-CD2 4.31Å; I177-Y207 HydrophobicContact CG2-CE1 3.58Å; I177-Y207 HydrophobicContact CG2-CE2 3.7Å; I177-Y207 WeakPolarHBondContact CG2-OH 3.37Å
178	T	84.6	Confident	86.9	Confident	14 Å²	14	37.2 Å²	37.2	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-38.2	179.6	-58.5	0	0	0	0	111.7	E6 V7 S129 F132 S174 V175 Q180	E6-T178 HydrophobicContact CB-CG2 4.08Å; V7-T178 HydrophobicContact CG2-CG2 3.81Å; S129-T178 PolarHBondContact O-OG1 3.03Å; F132-T178 HydrophobicContact CZ-CG2 4.14Å; S174-T178 WeakPolarHBondContact O-CB 3.41Å; S174-T178 PolarHBondContact O-N 3.28Å; S174-T178 PolarHBondContact O-OG1 3.46Å; V175-T178 PolarHBondContact O-N 3.02Å; T178-Q180 PolarHBondContact O-N 3.06Å
179	L	83.9	Confident	86.7	Confident	39 Å²	39	46 Å²	46	20%	0.204	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.5	175.6	-66.8	173.7	0	0	0	113.4	L3 V175 C176 I177 E181	L3-L179 HydrophobicContact CD1-CD1 4.26Å; L3-L179 HydrophobicContact CD1-CD2 3.66Å; L3-L179 HydrophobicContact CD1-CG 3.86Å; V175-L179 HydrophobicContact CG1-CD1 4.08Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.36Å; C176-L179 CarbonylContact O-C 3.54Å; C176-L179 PolarHBondContact O-N 2.74Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 3.38Å; L179-E181 HydrophobicContact CB-CB 4.38Å; L179-E181 HydrophobicContact CB-CG 4.04Å; L179-E181 PolarHBondContact O-N 2.99Å
180	Q	82.5	Confident	86.3	Confident	100 Å²	100	48.8 Å²	48.8	47%	0.467	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.8	-172.1	-55.9	-177.5	8.7	0	0	113.8	C176 I177 T178 G215	C176-Q180 PolarHBondContact O-N 3.11Å; I177-Q180 PolarHBondContact O-N 3.47Å; T178-Q180 PolarHBondContact O-N 3.06Å; Q180-G215 PolarHBondContact O-N 3.24Å
181	E	83.2	Confident	86	Confident	21 Å²	21	54.9 Å²	54.9	10%	0.098	26%	0.259	C	S	.	.			trans	-99.8	146.2	-178.8	-66.5	-168.6	169.7	0	0	111.2	C176 L179 P183 Q221	C176-E181 PolarHBondContact O-N 3.23Å; L179-E181 HydrophobicContact CB-CB 4.38Å; L179-E181 HydrophobicContact CB-CG 4.04Å; L179-E181 PolarHBondContact O-N 2.99Å; E181-P183 WeakPolarHBondContact O-CD 3.28Å; E181-Q221 PolarHBondContact OE1-NE2 2.96Å; E181-Q221 WeakPolarHBondContact OE2-CG 3.3Å; E181-Q221 PolarHBondContact OE2-NE2 3.16Å; E181-Q221 PolarHBondContact OE2-OE1 3.11Å
182	Y	85.2	Confident	85.7	Confident	71 Å²	71	54.9 Å²	54.9	28%	0.278	26%	0.261	S	S	.	.			trans	-120.9	79.9	171.9	-171.3	-92.6	0	0	0	108.4	Q201 L204 D205 K208 L214	Y182-Q201 PolarHBondContact OH-NE2 2.93Å; Y182-L204 HydrophobicContact CD2-CB 4.24Å; Y182-L204 HydrophobicContact CE2-CB 3.91Å; Y182-D205 PolarHBondContact OH-OD1 3.44Å; Y182-K208 HydrophobicContact CD2-CD 4.01Å; Y182-K208 HydrophobicContact CE2-CB 4.46Å; Y182-K208 HydrophobicContact CE2-CD 3.76Å; Y182-L214 HydrophobicContact CD2-CD2 3.77Å
183	P	86.2	Confident	85.5	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-73.9	154.5	-172.1	30.1	-35.7	0	0	0	111.9	E181 I185 Q221 L223	E181-P183 WeakPolarHBondContact O-CD 3.28Å; P183-I185 PolarHBondContact O-N 2.96Å; P183-Q221 CarbonylContact C-O 3.52Å; P183-Q221 WeakPolarHBondContact CA-O 3.32Å; P183-Q221 WeakPolarHBondContact CB-O 3.04Å; P183-L223 HydrophobicContact CB-CB 3.9Å; P183-L223 HydrophobicContact CG-CB 3.79Å
184	K	86.1	Confident	85.5	Confident	136 Å²	136	58 Å²	58	59%	0.591	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	120.8	167.3	-176.9	179	178.7	179.5	0	108.7	C186 Q221 N222 L223	K184-C186 PolarHBondContact O-N 3.46Å; K184-Q221 PolarHBondContact N-O 3.26Å; K184-N222 WeakPolarHBondContact O-CA 3.01Å; K184-L223 PolarHBondContact O-N 2.91Å
185	I	87.5	Confident	85.5	Confident	24 Å²	24	60.3 Å²	60.3	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	119.2	-179.8	-54.2	178.8	0	0	0	109.6	P183 A197 V200 Q201 L204 I225	P183-I185 PolarHBondContact O-N 2.96Å; I185-A197 HydrophobicContact CG2-CB 3.66Å; I185-V200 HydrophobicContact CD1-CB 4Å; I185-V200 HydrophobicContact CD1-CG1 3.68Å; I185-Q201 HydrophobicContact CD1-CB 3.77Å; I185-Q201 HydrophobicContact CD1-CG 4.49Å; I185-L204 HydrophobicContact CD1-CD1 4.29Å; I185-I225 HydrophobicContact CG2-CD1 4.03Å
186	C	87.6	Confident	85.6	Confident	43 Å²	43	60.4 Å²	60.4	29%	0.291	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.8	175.4	-67.9	0	0	0	0	108.3	K184 L223 I224 I225	K184-C186 PolarHBondContact O-N 3.46Å; C186-L223 PolarHBondContact N-O 3.49Å; C186-L223 VanDerWaalsContact O-O 3.05Å; C186-I224 HydrophobicContact CB-CG1 4.43Å; C186-I224 CarbonylContact O-C 3.53Å; C186-I224 WeakPolarHBondContact O-CA 3.22Å; C186-I225 PolarHBondContact O-N 2.68Å
187	Y	86.1	Confident	85.8	Confident	106 Å²	106	60.2 Å²	60.2	42%	0.416	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.4	-177.7	63.5	-86.1	0	0	0	111.9	N193 L194 A197 I225	Y187-N193 HydrophobicContact CD2-CB 4.33Å; Y187-L194 HydrophobicContact CD2-CB 4.36Å; Y187-L194 HydrophobicContact CE1-CD1 4.13Å; Y187-L194 HydrophobicContact CE2-CB 3.93Å; Y187-L194 HydrophobicContact CE2-CD1 3.93Å; Y187-L194 WeakPolarHBondContact OH-CD1 3.46Å; Y187-A197 HydrophobicContact CD1-CB 3.66Å; Y187-A197 HydrophobicContact CE1-CB 4.4Å; Y187-A197 HydrophobicContact CG-CB 4.01Å; Y187-I225 WeakPolarHBondContact CA-O 3.29Å
188	Q	86.1	Confident	86.1	Confident	100 Å²	100	65 Å²	65	47%	0.467	30%	0.303	S	S	.	.			trans	-71.2	130.5	168.8	-177.6	-179.1	7.4	0	0	109.3	T190 N193 I225	Q188-T190 PolarHBondContact O-N 3.04Å; Q188-N193 WeakPolarHBondContact O-CB 3.43Å; Q188-N193 PolarHBondContact O-ND2 2.87Å; Q188-I225 PolarHBondContact N-O 3.07Å
189	K	83.6	Confident	86.4	Confident	202 Å²	202	65.3 Å²	65.3	88%	0.878	30%	0.304	S	S	*	.	S	Bend	trans	-59.8	87.8	-174.8	-168.9	-179.9	-178	-179.3	0	112.6
190	T	83.3	Confident	86.8	Confident	58 Å²	58	63.4 Å²	63.4	36%	0.356	30%	0.295	S	S	.	.			trans	-141.2	153.6	168.2	69	0	0	0	0	108.1	Q188 S192 N193 L194	Q188-T190 PolarHBondContact O-N 3.04Å; T190-S192 PolarHBondContact O-N 3.38Å; T190-N193 PolarHBondContact O-N 3.17Å; T190-N193 VanDerWaalsContact OG1-CB 3.23Å; T190-N193 WeakPolarHBondContact OG1-CB 3.22Å; T190-N193 PolarHBondContact OG1-N 2.88Å; T190-N193 PolarHBondContact OG1-ND2 2.85Å; T190-L194 WeakPolarHBondContact O-CB 3.5Å; T190-L194 PolarHBondContact O-N 3.27Å
191	E	82.7	Confident	87.2	Confident	163 Å²	163	61.4 Å²	61.4	76%	0.762	29%	0.285	S	S	*	.	H	α-helix	trans	-61	-44.9	-178.7	-65.4	-177.2	167	0	0	112.2	N193 L194 E195	E191-N193 PolarHBondContact O-N 3.33Å; E191-L194 PolarHBondContact O-N 3.08Å; E191-E195 PolarHBondContact O-N 3.47Å
192	S	82.9	Confident	87.6	Confident	15 Å²	15	63.6 Å²	63.6	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-41.4	178.4	-56.5	0	0	0	0	112.3	K161 T190 E195 L196	K161-S192 VanDerWaalsContact CE-OG 3.22Å; K161-S192 WeakPolarHBondContact CE-OG 3.35Å; K161-S192 PolarHBondContact NZ-OG 3Å; K161-S192 VanDerWaalsContact NZ-OG 3.11Å; T190-S192 PolarHBondContact O-N 3.38Å; S192-E195 PolarHBondContact O-N 3.31Å; S192-L196 WeakPolarHBondContact O-CB 3.38Å; S192-L196 PolarHBondContact O-N 3.09Å
193	N	86.1	Confident	87.9	Confident	1 Å²	1	62 Å²	62	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-70.5	-36.2	178.8	-70.2	-17	0	0	0	112.3	Y151 Y187 Q188 T190 E191 E195 L196 A197 I225	Y151-N193 WeakPolarHBondContact CE1-OD1 3.35Å; Y151-N193 PolarHBondContact OH-OD1 3.35Å; Y187-N193 HydrophobicContact CD2-CB 4.33Å; Q188-N193 WeakPolarHBondContact O-CB 3.43Å; Q188-N193 PolarHBondContact O-ND2 2.87Å; T190-N193 PolarHBondContact O-N 3.17Å; T190-N193 VanDerWaalsContact OG1-CB 3.23Å; T190-N193 WeakPolarHBondContact OG1-CB 3.22Å; T190-N193 PolarHBondContact OG1-N 2.88Å; T190-N193 PolarHBondContact OG1-ND2 2.85Å; E191-N193 PolarHBondContact O-N 3.33Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-L196 PolarHBondContact O-N 3.2Å; N193-A197 WeakPolarHBondContact O-CB 3.46Å; N193-A197 PolarHBondContact O-N 3.08Å; N193-I225 HydrophobicContact CB-CG2 4.27Å
194	L	88.3	Confident	87.9	Confident	83 Å²	83	61.6 Å²	61.6	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-46.9	175.2	171.3	63.3	0	0	0	110.1	Y187 T190 E191 A197 R198	Y187-L194 HydrophobicContact CD2-CB 4.36Å; Y187-L194 HydrophobicContact CE1-CD1 4.13Å; Y187-L194 HydrophobicContact CE2-CB 3.93Å; Y187-L194 HydrophobicContact CE2-CD1 3.93Å; Y187-L194 WeakPolarHBondContact OH-CD1 3.46Å; T190-L194 WeakPolarHBondContact O-CB 3.5Å; T190-L194 PolarHBondContact O-N 3.27Å; E191-L194 PolarHBondContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 2.89Å; L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 2.93Å
195	E	88.7	Confident	88.1	Confident	50 Å²	50	58.3 Å²	58.3	23%	0.234	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-41.6	179.4	-172.5	56.8	-163.7	0	0	111.7	L162 E191 S192 N193 A197 R198 L199	L162-E195 HydrophobicContact CD2-CG 3.95Å; E191-E195 PolarHBondContact O-N 3.47Å; S192-E195 PolarHBondContact O-N 3.31Å; N193-E195 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 3.36Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 IonicContact OE1-CZ 3.15Å; E195-R198 IonicContact OE1-NE 3.08Å; E195-R198 PolarHBondContact OE1-NE 2.86Å; E195-R198 IonicContact OE1-NH2 2.72Å; E195-R198 PolarHBondContact OE1-NH2 3.28Å; E195-R198 IonicContact OE2-CZ 3.65Å; E195-R198 IonicContact OE2-NE 2.62Å; E195-R198 PolarHBondContact OE2-NE 3.5Å; E195-R198 IonicContact OE2-NH2 2.77Å; E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 WeakPolarHBondContact O-CB 3.41Å; E195-L199 WeakPolarHBondContact O-CG 3.17Å; E195-L199 PolarHBondContact O-N 2.94Å
196	L	90	Very high	88.1	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-48.5	173.5	-177.5	59.6	0	0	0	111.7	I165 I168 A169 L172 S192 N193 R198 L199 V200 I225	I165-L196 HydrophobicContact CG2-CB 3.82Å; I165-L196 HydrophobicContact CG2-CD1 3.89Å; I165-L196 HydrophobicContact CG2-CG 4.46Å; I168-L196 HydrophobicContact CB-CD1 4.09Å; I168-L196 HydrophobicContact CG2-CD1 3.82Å; I168-L196 HydrophobicContact CG2-CD2 4.11Å; A169-L196 HydrophobicContact CB-CD1 3.85Å; L172-L196 HydrophobicContact CD1-CD1 4.25Å; L172-L196 HydrophobicContact CD1-CD2 4.14Å; L172-L196 HydrophobicContact CD1-CG 4.36Å; S192-L196 WeakPolarHBondContact O-CB 3.38Å; S192-L196 PolarHBondContact O-N 3.09Å; N193-L196 PolarHBondContact O-N 3.2Å; L196-R198 VanDerWaalsContact C-N 3.31Å; L196-R198 PolarHBondContact O-N 3.33Å; L196-L199 PolarHBondContact O-N 2.81Å; L196-V200 HydrophobicContact CD1-CG2 4.22Å; L196-V200 HydrophobicContact CG-CG2 4.46Å; L196-V200 VanDerWaalsContact O-CG2 3.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 3.49Å; L196-I225 HydrophobicContact CD2-CD1 4.34Å; L196-I225 HydrophobicContact CD2-CG2 3.85Å; L196-I225 HydrophobicContact CG-CD1 4.15Å
197	A	91.1	Very high	87.9	Confident	5 Å²	5	61.9 Å²	61.9	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-43.3	178.4	0	0	0	0	0	111.8	I185 Y187 N193 L194 E195 Q201 I225	I185-A197 HydrophobicContact CG2-CB 3.66Å; Y187-A197 HydrophobicContact CD1-CB 3.66Å; Y187-A197 HydrophobicContact CE1-CB 4.4Å; Y187-A197 HydrophobicContact CG-CB 4.01Å; N193-A197 WeakPolarHBondContact O-CB 3.46Å; N193-A197 PolarHBondContact O-N 3.08Å; L194-A197 PolarHBondContact O-N 2.89Å; E195-A197 PolarHBondContact O-N 3.36Å; A197-Q201 WeakPolarHBondContact O-CB 3.37Å; A197-Q201 PolarHBondContact O-N 3.45Å; A197-I225 HydrophobicContact CB-CD1 3.98Å
198	R	92.1	Very high	87.8	Confident	119 Å²	119	61 Å²	61	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-45.6	177.6	-168	-169	72.2	74.9	1.8	111.5	L194 E195 L196 Q201 V202	L194-R198 WeakPolarHBondContact O-CB 3.4Å; L194-R198 PolarHBondContact O-N 2.93Å; E195-R198 PolarHBondContact O-N 3.4Å; E195-R198 IonicContact OE1-CZ 3.15Å; E195-R198 IonicContact OE1-NE 3.08Å; E195-R198 PolarHBondContact OE1-NE 2.86Å; E195-R198 IonicContact OE1-NH2 2.72Å; E195-R198 PolarHBondContact OE1-NH2 3.28Å; E195-R198 IonicContact OE2-CZ 3.65Å; E195-R198 IonicContact OE2-NE 2.62Å; E195-R198 PolarHBondContact OE2-NE 3.5Å; E195-R198 IonicContact OE2-NH2 2.77Å; L196-R198 VanDerWaalsContact C-N 3.31Å; L196-R198 PolarHBondContact O-N 3.33Å; R198-Q201 WeakPolarHBondContact O-CB 3.47Å; R198-Q201 PolarHBondContact O-N 3.37Å; R198-V202 WeakPolarHBondContact O-CG2 3.32Å; R198-V202 PolarHBondContact O-N 2.86Å
199	L	92	Very high	87.7	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-41.8	179.3	-71.1	170	0	0	0	111.9	I165 D166 A169 E195 L196 Q201 V202 K203	I165-L199 HydrophobicContact CG2-CD1 3.84Å; D166-L199 HydrophobicContact CB-CD1 4.27Å; A169-L199 HydrophobicContact CB-CB 3.61Å; E195-L199 HydrophobicContact CG-CD1 4.11Å; E195-L199 WeakPolarHBondContact O-CB 3.41Å; E195-L199 WeakPolarHBondContact O-CG 3.17Å; E195-L199 PolarHBondContact O-N 2.94Å; L196-L199 PolarHBondContact O-N 2.81Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.96Å; L199-V202 PolarHBondContact O-N 3.33Å; L199-K203 WeakPolarHBondContact O-CG 3.33Å; L199-K203 PolarHBondContact O-N 2.98Å
200	V	91.5	Very high	87.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-45.2	173.9	175.3	0	0	0	0	110.3	A169 L172 I185 L196 V202 K203 L204 L223	A169-V200 HydrophobicContact CB-CG2 3.76Å; L172-V200 HydrophobicContact CB-CG2 4Å; L172-V200 HydrophobicContact CD1-CG2 4.04Å; I185-V200 HydrophobicContact CD1-CB 4Å; I185-V200 HydrophobicContact CD1-CG1 3.68Å; L196-V200 HydrophobicContact CD1-CG2 4.22Å; L196-V200 HydrophobicContact CG-CG2 4.46Å; L196-V200 VanDerWaalsContact O-CG2 3.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.27Å; L196-V200 PolarHBondContact O-N 3.49Å; V200-V202 PolarHBondContact O-N 3.31Å; V200-K203 PolarHBondContact O-N 3.14Å; V200-L204 HydrophobicContact CG1-CD1 3.92Å; V200-L204 HydrophobicContact CG1-CG 4.25Å; V200-L204 WeakPolarHBondContact O-CG 3.22Å; V200-L204 PolarHBondContact O-N 2.94Å; V200-L223 HydrophobicContact CG1-CD2 4.06Å
201	Q	91.2	Very high	87.2	Confident	57 Å²	57	56.7 Å²	56.7	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-56.9	-50.6	177.8	-170.9	60.6	63.7	0	0	111.5	Y182 I185 A197 R198 L199 K203 L204 D205	Y182-Q201 PolarHBondContact OH-NE2 2.93Å; I185-Q201 HydrophobicContact CD1-CB 3.77Å; I185-Q201 HydrophobicContact CD1-CG 4.49Å; A197-Q201 WeakPolarHBondContact O-CB 3.37Å; A197-Q201 PolarHBondContact O-N 3.45Å; R198-Q201 WeakPolarHBondContact O-CB 3.47Å; R198-Q201 PolarHBondContact O-N 3.37Å; L199-Q201 VanDerWaalsContact C-N 3.32Å; L199-Q201 PolarHBondContact O-N 2.96Å; Q201-K203 VanDerWaalsContact C-N 3.33Å; Q201-K203 PolarHBondContact O-N 3.42Å; Q201-L204 PolarHBondContact O-N 3.14Å; Q201-D205 PolarHBondContact NE2-OD1 3.47Å; Q201-D205 PolarHBondContact NE2-OD2 3.05Å; Q201-D205 WeakPolarHBondContact O-CB 3.24Å; Q201-D205 PolarHBondContact O-N 2.62Å
202	V	92.3	Very high	86.6	Confident	67 Å²	67	53.9 Å²	53.9	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-42.4	179.7	170.8	0	0	0	0	111.7	R198 L199 V200 D205 T206	R198-V202 WeakPolarHBondContact O-CG2 3.32Å; R198-V202 PolarHBondContact O-N 2.86Å; L199-V202 PolarHBondContact O-N 3.33Å; V200-V202 PolarHBondContact O-N 3.31Å; V202-D205 PolarHBondContact O-N 2.74Å; V202-T206 WeakPolarHBondContact O-CB 3.39Å; V202-T206 PolarHBondContact O-N 2.77Å; V202-T206 PolarHBondContact O-OG1 2.98Å
203	K	89.7	Confident	86.1	Confident	37 Å²	37	58 Å²	58	16%	0.161	30%	0.304	C	S	.	.	H	α-helix	trans	-67.7	-40.3	179.6	-69.2	176.7	-172.7	-76.6	0	111.8	D166 A169 E170 A173 L199 V200 Q201 T206 Y207	D166-K203 WeakPolarHBondContact O-CE 3.28Å; D166-K203 WeakPolarHBondContact OD1-CE 3.4Å; D166-K203 IonicContact OD1-NZ 3.22Å; D166-K203 PolarHBondContact OD1-NZ 3.37Å; D166-K203 IonicContact OD2-NZ 2.79Å; D166-K203 PolarHBondContact OD2-NZ 3.29Å; A169-K203 HydrophobicContact CB-CD 4.06Å; E170-K203 HydrophobicContact CB-CD 4.15Å; E170-K203 VanDerWaalsContact OE2-CD 3.29Å; E170-K203 WeakPolarHBondContact OE2-CD 3.23Å; E170-K203 WeakPolarHBondContact OE2-CE 3.44Å; E170-K203 IonicContact OE2-NZ 2.86Å; E170-K203 PolarHBondContact OE2-NZ 2.65Å; A173-K203 HydrophobicContact CB-CB 3.88Å; L199-K203 WeakPolarHBondContact O-CG 3.33Å; L199-K203 PolarHBondContact O-N 2.98Å; V200-K203 PolarHBondContact O-N 3.14Å; Q201-K203 VanDerWaalsContact C-N 3.33Å; Q201-K203 PolarHBondContact O-N 3.42Å; K203-T206 PolarHBondContact O-N 2.96Å; K203-Y207 PolarHBondContact O-N 3.32Å
204	L	87.7	Confident	85.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66	-39.3	173.8	-68.9	178.6	0	0	0	112.3	A173 C176 I177 Y182 I185 V200 Q201 Y207 K208	A173-L204 HydrophobicContact CB-CD2 4.06Å; A173-L204 HydrophobicContact CB-CG 4.4Å; C176-L204 HydrophobicContact CB-CD2 3.7Å; I177-L204 HydrophobicContact CG1-CD2 4.43Å; Y182-L204 HydrophobicContact CD2-CB 4.24Å; Y182-L204 HydrophobicContact CE2-CB 3.91Å; I185-L204 HydrophobicContact CD1-CD1 4.29Å; V200-L204 HydrophobicContact CG1-CD1 3.92Å; V200-L204 HydrophobicContact CG1-CG 4.25Å; V200-L204 WeakPolarHBondContact O-CG 3.22Å; V200-L204 PolarHBondContact O-N 2.94Å; Q201-L204 PolarHBondContact O-N 3.14Å; L204-Y207 PolarHBondContact O-N 3.48Å; L204-K208 VanDerWaalsContact O-CB 3.29Å; L204-K208 WeakPolarHBondContact O-CB 3.27Å; L204-K208 PolarHBondContact O-N 3.35Å
205	D	89.2	Confident	83.7	Confident	67 Å²	67	56.1 Å²	56.1	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-43.4	177.3	-68.2	-19.5	0	0	0	111.4	Y182 Q201 V202 Y207 K208 S209	Y182-D205 PolarHBondContact OH-OD1 3.44Å; Q201-D205 PolarHBondContact NE2-OD1 3.47Å; Q201-D205 PolarHBondContact NE2-OD2 3.05Å; Q201-D205 WeakPolarHBondContact O-CB 3.24Å; Q201-D205 PolarHBondContact O-N 2.62Å; V202-D205 PolarHBondContact O-N 2.74Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 3.04Å; D205-K208 PolarHBondContact O-N 3.45Å; D205-S209 PolarHBondContact O-N 3.26Å
206	T	88.5	Confident	82.3	Confident	76 Å²	76	60.2 Å²	60.2	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.1	-52.3	0	0	0	0	111.1	V202 K203 K208 S209 D210	V202-T206 WeakPolarHBondContact O-CB 3.39Å; V202-T206 PolarHBondContact O-N 2.77Å; V202-T206 PolarHBondContact O-OG1 2.98Å; K203-T206 PolarHBondContact O-N 2.96Å; T206-K208 PolarHBondContact O-N 2.97Å; T206-S209 PolarHBondContact O-N 3.44Å; T206-S209 PolarHBondContact O-OG 2.98Å; T206-D210 PolarHBondContact O-N 3.14Å
207	Y	82.4	Confident	80.6	Confident	66 Å²	66	62.9 Å²	62.9	26%	0.259	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-36.6	177.1	-165.8	-89.5	0	0	0	112.4	I177 K203 L204 D205 S209 D210 N211 L214	I177-Y207 HydrophobicContact CB-CE1 4.33Å; I177-Y207 HydrophobicContact CD1-CD1 4.12Å; I177-Y207 HydrophobicContact CD1-CD2 3.46Å; I177-Y207 VanDerWaalsContact CD1-CD2 3.46Å; I177-Y207 HydrophobicContact CD1-CE2 3.93Å; I177-Y207 HydrophobicContact CD1-CG 3.54Å; I177-Y207 HydrophobicContact CG1-CD1 3.71Å; I177-Y207 HydrophobicContact CG1-CD2 3.98Å; I177-Y207 HydrophobicContact CG1-CE1 3.99Å; I177-Y207 HydrophobicContact CG1-CE2 4.24Å; I177-Y207 HydrophobicContact CG1-CG 3.68Å; I177-Y207 HydrophobicContact CG2-CD1 4.21Å; I177-Y207 HydrophobicContact CG2-CD2 4.31Å; I177-Y207 HydrophobicContact CG2-CE1 3.58Å; I177-Y207 HydrophobicContact CG2-CE2 3.7Å; I177-Y207 WeakPolarHBondContact CG2-OH 3.37Å; K203-Y207 PolarHBondContact O-N 3.32Å; L204-Y207 PolarHBondContact O-N 3.48Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 3.04Å; Y207-S209 VanDerWaalsContact C-N 3.33Å; Y207-S209 PolarHBondContact O-N 3.48Å; Y207-D210 PolarHBondContact O-N 3Å; Y207-N211 HydrophobicContact CD1-CB 4.18Å; Y207-N211 HydrophobicContact CE1-CB 3.8Å; Y207-N211 PolarHBondContact O-N 2.99Å; Y207-L214 HydrophobicContact CD1-CD1 4.4Å; Y207-L214 HydrophobicContact CD1-CD2 4.15Å
208	K	84	Confident	78.6	Confident	89 Å²	89	70.4 Å²	70.4	39%	0.387	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-34.7	178.2	-172.7	175	-178.2	176.2	0	112.1	Y182 L204 D205 T206 D210 N211 L214	Y182-K208 HydrophobicContact CD2-CD 4.01Å; Y182-K208 HydrophobicContact CE2-CB 4.46Å; Y182-K208 HydrophobicContact CE2-CD 3.76Å; L204-K208 VanDerWaalsContact O-CB 3.29Å; L204-K208 WeakPolarHBondContact O-CB 3.27Å; L204-K208 PolarHBondContact O-N 3.35Å; D205-K208 PolarHBondContact O-N 3.45Å; T206-K208 PolarHBondContact O-N 2.97Å; K208-D210 VanDerWaalsContact C-N 3.28Å; K208-D210 PolarHBondContact O-N 3.13Å; K208-N211 CarbonylContact O-C 3.53Å; K208-N211 PolarHBondContact O-N 3.28Å; K208-L214 HydrophobicContact CB-CD2 4.12Å
209	S	84.4	Confident	76.7	Confident	89 Å²	89	70.6 Å²	70.6	62%	0.622	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-34.8	173.7	55.2	0	0	0	0	112.3	D205 T206 Y207	D205-S209 PolarHBondContact O-N 3.26Å; T206-S209 PolarHBondContact O-N 3.44Å; T206-S209 PolarHBondContact O-OG 2.98Å; Y207-S209 VanDerWaalsContact C-N 3.33Å; Y207-S209 PolarHBondContact O-N 3.48Å
210	D	80.4	Confident	74.8	Confident	116 Å²	116	76.3 Å²	76.3	62%	0.62	42%	0.415	S	S	*	.	H	α-helix	trans	-81.9	-29.8	179.4	-65.6	-10.9	0	0	0	112.3	T206 Y207 K208	T206-D210 PolarHBondContact O-N 3.14Å; Y207-D210 PolarHBondContact O-N 3Å; K208-D210 VanDerWaalsContact C-N 3.28Å; K208-D210 PolarHBondContact O-N 3.13Å
211	N	75.4	Confident	73.5	Confident	64 Å²	64	80.9 Å²	80.9	34%	0.342	44%	0.436	S	S	.	.			trans	-132.6	90.9	-176.3	-66.4	-77.9	0	0	0	111.5	Y207 K208 I213 L214	Y207-N211 HydrophobicContact CD1-CB 4.18Å; Y207-N211 HydrophobicContact CE1-CB 3.8Å; Y207-N211 PolarHBondContact O-N 2.99Å; K208-N211 CarbonylContact O-C 3.53Å; K208-N211 PolarHBondContact O-N 3.28Å; N211-I213 PolarHBondContact O-N 3.22Å; N211-L214 PolarHBondContact O-N 3.3Å
212	P	70.5	Confident	72.2	Confident	103 Å²	103	82.5 Å²	82.5	67%	0.669	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-1.1	-177	27.3	-35.1	0	0	0	114.6	L214	P212-L214 VanDerWaalsContact C-N 3.29Å
213	I	72.8	Confident	71.2	Confident	101 Å²	101	80.4 Å²	80.4	52%	0.518	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22	175.6	-57.4	171.4	0	0	0	110.8	N211 G215 Q216	N211-I213 PolarHBondContact O-N 3.22Å; I213-G215 PolarHBondContact O-N 3.07Å; I213-Q216 WeakPolarHBondContact O-CG 3.35Å; I213-Q216 PolarHBondContact O-N 3.02Å
214	L	64.9	Low	70.4	Confident	11 Å²	11	83.5 Å²	83.5	6%	0.058	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	124.6	-176.6	-166.2	76.8	0	0	0	111.9	Y182 Y207 K208 N211 P212	Y182-L214 HydrophobicContact CD2-CD2 3.77Å; Y207-L214 HydrophobicContact CD1-CD1 4.4Å; Y207-L214 HydrophobicContact CD1-CD2 4.15Å; K208-L214 HydrophobicContact CB-CD2 4.12Å; N211-L214 PolarHBondContact O-N 3.3Å; P212-L214 VanDerWaalsContact C-N 3.29Å
215	G	59.3	Low	69.7	Low	34 Å²	34	84.2 Å²	84.2	35%	0.351	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	12.9	178	0	0	0	0	0	115.6	Q180 I213 V217	Q180-G215 PolarHBondContact O-N 3.24Å; I213-G215 PolarHBondContact O-N 3.07Å; G215-V217 PolarHBondContact O-N 2.99Å
216	Q	59	Low	68.6	Low	136 Å²	136	87.4 Å²	87.4	64%	0.636	46%	0.462	S	S	*	.			trans	-69.9	-15.7	170.3	-71.5	-177.7	5.3	0	0	113	I213 I218	I213-Q216 WeakPolarHBondContact O-CG 3.35Å; I213-Q216 PolarHBondContact O-N 3.02Å; Q216-I218 PolarHBondContact O-N 3.27Å
217	V	54.8	Low	67.2	Low	63 Å²	63	86.6 Å²	86.6	38%	0.382	45%	0.452	S	S	.	.	S	Bend	trans	-77.4	114.3	174.9	-172.5	0	0	0	0	109.1	G215 N219	G215-V217 PolarHBondContact O-N 2.99Å; V217-N219 PolarHBondContact O-N 2.98Å
218	I	48.5	Very low	65.9	Low	163 Å²	163	89.5 Å²	89.5	84%	0.836	47%	0.468	S	S	*	.			trans	-65.3	-3.4	-170.3	-62.1	164.8	0	0	0	113.8	Q216 I220	Q216-I218 PolarHBondContact O-N 3.27Å; I218-I220 PolarHBondContact O-N 2.97Å; I218-I220 VanDerWaalsContact O-N 3.16Å
219	N	52.5	Low	63.9	Low	122 Å²	122	89.7 Å²	89.7	65%	0.652	47%	0.472	S	S	*	.			trans	-81.8	99.2	175.9	-105.2	-20.7	0	0	0	110.5	V217 Q221	V217-N219 PolarHBondContact O-N 2.98Å; N219-Q221 VanDerWaalsContact C-N 3.32Å; N219-Q221 PolarHBondContact O-N 3.13Å
220	I	52	Low	61.7	Low	142 Å²	142	91.4 Å²	91.4	73%	0.728	47%	0.474	S	S	*	.			trans	-67.1	93.4	170.4	-59	165	0	0	0	107.8	I218	I218-I220 PolarHBondContact O-N 2.97Å; I218-I220 VanDerWaalsContact O-N 3.16Å
221	Q	63.6	Low	59.6	Low	96 Å²	96	95.2 Å²	95.2	45%	0.449	49%	0.485	S	S	.	.			trans	-83.2	142.2	167.4	-58.3	-155.5	26.7	0	0	109.4	E181 P183 K184 N219	E181-Q221 PolarHBondContact OE1-NE2 2.96Å; E181-Q221 WeakPolarHBondContact OE2-CG 3.3Å; E181-Q221 PolarHBondContact OE2-NE2 3.16Å; E181-Q221 PolarHBondContact OE2-OE1 3.11Å; P183-Q221 CarbonylContact C-O 3.52Å; P183-Q221 WeakPolarHBondContact CA-O 3.32Å; P183-Q221 WeakPolarHBondContact CB-O 3.04Å; K184-Q221 PolarHBondContact N-O 3.26Å; N219-Q221 VanDerWaalsContact C-N 3.32Å; N219-Q221 PolarHBondContact O-N 3.13Å
222	N	63.3	Low	57.5	Low	90 Å²	90	95 Å²	95	48%	0.481	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.2	171.8	-66.2	-48.6	0	0	0	108.1	K184 I224	K184-N222 WeakPolarHBondContact O-CA 3.01Å; N222-I224 HydrophobicContact CB-CG1 4.12Å; N222-I224 PolarHBondContact O-N 3.31Å
223	L	72.8	Confident	55.7	Low	24 Å²	24	99 Å²	99	13%	0.126	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	102.8	167.2	-179.1	65.8	0	0	0	107.3	P183 K184 C186 V200	P183-L223 HydrophobicContact CB-CB 3.9Å; P183-L223 HydrophobicContact CG-CB 3.79Å; K184-L223 PolarHBondContact O-N 2.91Å; C186-L223 PolarHBondContact N-O 3.49Å; C186-L223 VanDerWaalsContact O-O 3.05Å; V200-L223 HydrophobicContact CG1-CD2 4.06Å
224	I	72	Confident	53.6	Low	102 Å²	102	104 Å²	104	52%	0.523	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.2	180	-51.7	178.2	0	0	0	108.8	C186 N222 Y226	C186-I224 HydrophobicContact CB-CG1 4.43Å; C186-I224 CarbonylContact O-C 3.53Å; C186-I224 WeakPolarHBondContact O-CA 3.22Å; N222-I224 HydrophobicContact CB-CG1 4.12Å; N222-I224 PolarHBondContact O-N 3.31Å; I224-Y226 HydrophobicContact CB-CD1 4.22Å; I224-Y226 HydrophobicContact CG2-CD1 3.75Å; I224-Y226 HydrophobicContact CG2-CG 4.43Å; I224-Y226 WeakPolarHBondContact O-CD1 3.37Å
225	I	73.4	Confident	51.9	Low	14 Å²	14	111.9 Å²	111.9	7%	0.072	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	105.8	173.7	-58.1	174.7	0	0	0	107.9	I185 C186 Y187 Q188 N193 L196 A197	I185-I225 HydrophobicContact CG2-CD1 4.03Å; C186-I225 PolarHBondContact O-N 2.68Å; Y187-I225 WeakPolarHBondContact CA-O 3.29Å; Q188-I225 PolarHBondContact N-O 3.07Å; N193-I225 HydrophobicContact CB-CG2 4.27Å; L196-I225 HydrophobicContact CD2-CD1 4.34Å; L196-I225 HydrophobicContact CD2-CG2 3.85Å; L196-I225 HydrophobicContact CG-CD1 4.15Å; A197-I225 HydrophobicContact CB-CD1 3.98Å
226	Y	65.4	Low	50.9	Low	135 Å²	135	120.8 Å²	120.8	53%	0.529	61%	0.609	S	S	.	*			trans	-140	150	179.3	70.3	-79.8	0	0	0	110.9	I224 Q228	I224-Y226 HydrophobicContact CB-CD1 4.22Å; I224-Y226 HydrophobicContact CG2-CD1 3.75Å; I224-Y226 HydrophobicContact CG2-CG 4.43Å; I224-Y226 WeakPolarHBondContact O-CD1 3.37Å; Y226-Q228 HydrophobicContact CD2-CB 4.24Å; Y226-Q228 HydrophobicContact CE2-CB 3.79Å; Y226-Q228 HydrophobicContact CE2-CG 4.29Å; Y226-Q228 PolarHBondContact OH-OE1 3Å; Y226-Q228 VanDerWaalsContact OH-OE1 3.08Å
227	K	60.8	Low	50.5	Low	58 Å²	58	120.1 Å²	120.1	25%	0.252	61%	0.607	S	S	.	*			trans	-92	106.3	173	-176.2	-176.6	-176.3	179.5	0	107.6	Y151 F152 I229	Y151-K227 HydrophobicContact CD1-CD 4.47Å; Y151-K227 HydrophobicContact CG-CD 4.39Å; Y151-K227 PolarHBondContact O-NZ 3.01Å; F152-K227 VanDerWaalsContact CZ-CE 3.49Å; F152-K227 VanDerWaalsContact CZ-NZ 3.33Å; K227-I229 HydrophobicContact CD-CD1 4.08Å; K227-I229 HydrophobicContact CD-CG1 3.94Å; K227-I229 HydrophobicContact CG-CG1 3.94Å; K227-I229 PolarHBondContact O-N 3.05Å
228	Q	53.6	Low	50.2	Low	127 Å²	127	123.1 Å²	123.1	59%	0.593	62%	0.619	S	S	*	*			trans	-79.4	106.5	168	-159.8	153.5	-24.7	0	0	108.4	Y226	Y226-Q228 HydrophobicContact CD2-CB 4.24Å; Y226-Q228 HydrophobicContact CE2-CB 3.79Å; Y226-Q228 HydrophobicContact CE2-CG 4.29Å; Y226-Q228 PolarHBondContact OH-OE1 3Å; Y226-Q228 VanDerWaalsContact OH-OE1 3.08Å
229	I	43.4	Very low	50.3	Low	93 Å²	93	120.8 Å²	120.8	48%	0.477	61%	0.607	S	S	.	*			trans	-93	94.1	165.8	-54.3	177.1	0	0	0	105.6	K227 K231	K227-I229 HydrophobicContact CD-CD1 4.08Å; K227-I229 HydrophobicContact CD-CG1 3.94Å; K227-I229 HydrophobicContact CG-CG1 3.94Å; K227-I229 PolarHBondContact O-N 3.05Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 HydrophobicContact CG2-CG 3.76Å; I229-K231 PolarHBondContact O-N 3.24Å
230	D	37.3	Very low	50.2	Low	125 Å²	125	120.8 Å²	120.8	67%	0.668	60%	0.604	S	S	*	*			trans	-67.6	100.6	161.1	-100.8	-34.8	0	0	0	107.6	A232	D230-A232 PolarHBondContact O-N 3.43Å
231	K	35.9	Very low	50.1	Low	196 Å²	196	119.4 Å²	119.4	85%	0.852	60%	0.597	S	S	*	*			trans	-77.1	19.7	167.4	-81	-166.6	174.8	-177.7	0	112.1	I229	I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 HydrophobicContact CG2-CG 3.76Å; I229-K231 PolarHBondContact O-N 3.24Å
232	A	31.4	Very low	49.2	Very low	60 Å²	60	121 Å²	121	50%	0.496	61%	0.607	S	S	.	*			trans	-104.2	124.7	175.6	0	0	0	0	0	109.9	D230	D230-A232 PolarHBondContact O-N 3.43Å
233	H	32.7	Very low	48.2	Very low	187 Å²	187	123.2 Å²	123.2	87%	0.866	62%	0.615	S	S	*	*	S	Bend	trans	101.9	28.4	171.2	-57.3	-66.1	0	0	0	121.1
234	K	28.3	Very low	46.3	Very low	206 Å²	206	130.8 Å²	130.8	90%	0.896	65%	0.653	S	S	*	*			trans	-143	80.5	152.3	-80.9	-166.3	177.2	176.3	0	112.3
235	L	29.4	Very low	44.1	Very low	177 Å²	177	133.3 Å²	133.3	93%	0.927	66%	0.664	S	S	*	*			trans	-155.4	73.5	160.2	-95.2	168.1	0	0	0	108
236	V	38	Very low	41.5	Very low	221 Å²	221	144.1 Å²	144.1	100%	1.339	72%	0.718	S	S	*	*			trans	-147.1	0	140	-177.7	0	0	0	0	106.1

Retrieved 236 of 236 residues in 143.4 ms (Link to these results)

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