A0A3Q0KMR3_SCHMA Loading...

Protein rogdi AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	71.5	Confident	93.8	Very high	64 Å²	64	51.5 Å²	51.5	53%	0.529	26%	0.264	S	S	.	.				0	-66.5	0	0	0	0	0	0	113.5	F3 L4 S5 V108	A1-F3 VanDerWaalsContact C-N 3.32Å; A1-F3 PolarHBondContact O-N 2.96Å; A1-F3 VanDerWaalsContact O-N 3.14Å; A1-L4 PolarHBondContact O-N 3.33Å; A1-S5 PolarHBondContact O-N 2.79Å; A1-V108 HydrophobicContact CB-CG1 4.22Å
2	H	89.8	Confident	94.2	Very high	145 Å²	145	54.2 Å²	54.2	67%	0.671	28%	0.277	S	S	*	.	H	α-helix	trans	-52.6	-38.9	-172	-176.5	-81.9	0	0	0	115.5	L4 S5 H6	H2-L4 PolarHBondContact O-N 3.14Å; H2-S5 PolarHBondContact O-N 2.98Å; H2-H6 PolarHBondContact O-N 3.47Å
3	F	93.1	Very high	94.5	Very high	64 Å²	64	51 Å²	51	28%	0.281	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-44.8	-179.6	-61.2	-68.9	0	0	0	113.2	A1 H6 V7 T215 Y218 L219	A1-F3 VanDerWaalsContact C-N 3.32Å; A1-F3 PolarHBondContact O-N 2.96Å; A1-F3 VanDerWaalsContact O-N 3.14Å; F3-H6 PolarHBondContact O-N 3.26Å; F3-V7 WeakPolarHBondContact O-CG2 3.29Å; F3-V7 PolarHBondContact O-N 3.42Å; F3-T215 HydrophobicContact CB-CG2 3.91Å; F3-T215 HydrophobicContact CD1-CG2 3.96Å; F3-T215 HydrophobicContact CG-CG2 4.43Å; F3-T215 WeakPolarHBondContact O-CG2 3.47Å; F3-Y218 HydrophobicContact CD1-CD1 4.28Å; F3-Y218 AromaticContact CE1-CD1 3.7Å; F3-Y218 HydrophobicContact CE1-CD1 3.7Å; F3-Y218 AromaticContact CE1-CE1 3.6Å; F3-Y218 HydrophobicContact CE1-CE1 3.6Å; F3-Y218 HydrophobicContact CE2-CE1 4.39Å; F3-Y218 HydrophobicContact CZ-CD1 4.04Å; F3-Y218 AromaticContact CZ-CE1 3.51Å; F3-Y218 HydrophobicContact CZ-CE1 3.51Å; F3-L219 HydrophobicContact CB-CD1 4.43Å; F3-L219 HydrophobicContact CD2-CD1 3.91Å; F3-L219 HydrophobicContact CG-CD1 4.33Å
4	L	93.9	Very high	94.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-37.2	-179.3	-171.3	60.3	0	0	0	111.5	A1 H2 H6 V7 E8 I99 V108 L111 F117 L121	A1-L4 PolarHBondContact O-N 3.33Å; H2-L4 PolarHBondContact O-N 3.14Å; L4-H6 VanDerWaalsContact C-N 3.32Å; L4-H6 PolarHBondContact O-N 3.45Å; L4-V7 PolarHBondContact O-N 3.38Å; L4-E8 WeakPolarHBondContact O-CG 3.44Å; L4-E8 PolarHBondContact O-N 3.22Å; L4-I99 HydrophobicContact CD1-CD1 4.09Å; L4-I99 HydrophobicContact CD1-CG1 4.1Å; L4-I99 HydrophobicContact CD1-CG2 4.03Å; L4-I99 HydrophobicContact CD2-CG2 4.03Å; L4-I99 HydrophobicContact CG-CG2 3.98Å; L4-V108 HydrophobicContact CD2-CG1 4.23Å; L4-L111 HydrophobicContact CD2-CD1 4.32Å; L4-F117 HydrophobicContact CD1-CE1 4.16Å; L4-F117 HydrophobicContact CD1-CZ 4.19Å; L4-F117 HydrophobicContact CD2-CE1 4.45Å; L4-F117 HydrophobicContact CD2-CZ 4.42Å; L4-L121 HydrophobicContact CD1-CD2 4.06Å
5	S	95.2	Very high	94.9	Very high	61 Å²	61	45.8 Å²	45.8	43%	0.427	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-37.1	173.1	-60.4	0	0	0	0	112.4	A1 H2 E8 Y9	A1-S5 PolarHBondContact O-N 2.79Å; H2-S5 PolarHBondContact O-N 2.98Å; S5-E8 PolarHBondContact O-N 3.48Å; S5-Y9 PolarHBondContact O-N 3.09Å
6	H	97.6	Very high	94.8	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.301	25%	0.249	S	C	.	.	H	α-helix	trans	-67.4	-41	174.3	-177.6	69.9	0	0	0	112	H2 F3 L4 E8 Y9 C10 T215	H2-H6 PolarHBondContact O-N 3.47Å; F3-H6 PolarHBondContact O-N 3.26Å; L4-H6 VanDerWaalsContact C-N 3.32Å; L4-H6 PolarHBondContact O-N 3.45Å; H6-E8 PolarHBondContact O-N 3.47Å; H6-Y9 WeakPolarHBondContact O-CB 3.39Å; H6-Y9 PolarHBondContact O-N 3.12Å; H6-C10 PolarHBondContact O-N 2.61Å; H6-C10 PolarHBondContact O-SG 3Å; H6-C10 VanDerWaalsContact O-SG 3.39Å; H6-T215 PolarHBondContact CD2-OG1 2.66Å; H6-T215 VanDerWaalsContact CD2-OG1 3.23Å
7	V	98.1	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-46.1	173.1	171.1	0	0	0	0	111	F3 L4 Y9 C10 L11 I99 L121 I125 A212 T215 L216	F3-V7 WeakPolarHBondContact O-CG2 3.29Å; F3-V7 PolarHBondContact O-N 3.42Å; L4-V7 PolarHBondContact O-N 3.38Å; V7-Y9 PolarHBondContact O-N 3.39Å; V7-C10 PolarHBondContact O-N 3.29Å; V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 VanDerWaalsContact O-CG 3.27Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.28Å; V7-I99 HydrophobicContact CG1-CD1 4.07Å; V7-L121 HydrophobicContact CG1-CD2 4.29Å; V7-I125 HydrophobicContact CG1-CD1 3.91Å; V7-A212 HydrophobicContact CG1-CB 4.31Å; V7-T215 HydrophobicContact CG2-CG2 3.76Å; V7-L216 HydrophobicContact CG2-CD2 3.98Å; V7-L216 HydrophobicContact CG2-CG 3.93Å
8	E	97.7	Very high	94.8	Very high	38 Å²	38	45.1 Å²	45.1	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-45.3	175.1	-73.2	175.9	142.2	0	0	112.5	L4 S5 H6 C10 L11 I12 L96 I99 K103	L4-E8 WeakPolarHBondContact O-CG 3.44Å; L4-E8 PolarHBondContact O-N 3.22Å; S5-E8 PolarHBondContact O-N 3.48Å; H6-E8 PolarHBondContact O-N 3.47Å; E8-C10 VanDerWaalsContact C-N 3.34Å; E8-C10 PolarHBondContact O-N 2.61Å; E8-L11 PolarHBondContact O-N 3.04Å; E8-I12 VanDerWaalsContact O-CG1 3.3Å; E8-I12 WeakPolarHBondContact O-CG1 3.05Å; E8-I12 PolarHBondContact O-N 3.48Å; E8-L96 HydrophobicContact CB-CD2 4.46Å; E8-L96 HydrophobicContact CG-CD2 4.49Å; E8-I99 HydrophobicContact CG-CB 4.32Å; E8-I99 HydrophobicContact CG-CD1 3.65Å; E8-I99 HydrophobicContact CG-CG2 3.76Å; E8-I99 WeakPolarHBondContact OE1-CG2 3.4Å; E8-K103 WeakPolarHBondContact OE1-CE 3.41Å; E8-K103 IonicContact OE1-NZ 2.66Å; E8-K103 PolarHBondContact OE1-NZ 3.05Å; E8-K103 IonicContact OE2-NZ 2.61Å; E8-K103 PolarHBondContact OE2-NZ 3.32Å
9	Y	98.2	Very high	94.5	Very high	128 Å²	128	47.7 Å²	47.7	50%	0.502	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-47.6	177	166.1	-95.4	0	0	0	111.7	S5 H6 V7 L11 I12 S13 Y208	S5-Y9 PolarHBondContact O-N 3.09Å; H6-Y9 WeakPolarHBondContact O-CB 3.39Å; H6-Y9 PolarHBondContact O-N 3.12Å; V7-Y9 PolarHBondContact O-N 3.39Å; Y9-L11 PolarHBondContact O-N 3.02Å; Y9-I12 PolarHBondContact O-N 3.19Å; Y9-S13 WeakPolarHBondContact O-CB 3.37Å; Y9-S13 PolarHBondContact O-N 2.79Å; Y9-S13 PolarHBondContact O-OG 3.34Å; Y9-Y208 HydrophobicContact CE1-CE1 4.18Å
10	C	98.6	Very high	93.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-43.8	177.5	-70.2	0	0	0	0	111.6	H6 V7 E8 S13 C14 Y208 A212	H6-C10 PolarHBondContact O-N 2.61Å; H6-C10 PolarHBondContact O-SG 3Å; H6-C10 VanDerWaalsContact O-SG 3.39Å; V7-C10 PolarHBondContact O-N 3.29Å; E8-C10 VanDerWaalsContact C-N 3.34Å; E8-C10 PolarHBondContact O-N 2.61Å; C10-S13 WeakPolarHBondContact O-CB 3.37Å; C10-S13 PolarHBondContact O-N 3.01Å; C10-C14 PolarHBondContact O-N 2.81Å; C10-C14 PolarHBondContact O-SG 3.23Å; C10-Y208 HydrophobicContact CB-CD1 4.42Å; C10-Y208 WeakPolarHBondContact CB-O 3.41Å; C10-A212 HydrophobicContact CB-CB 3.89Å
11	L	98.6	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-38.8	179.7	-68	170.2	0	0	0	112.9	V7 E8 Y9 S13 C14 Q15 T92 L96 I99 I125 L209	V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 VanDerWaalsContact O-CG 3.27Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.28Å; E8-L11 PolarHBondContact O-N 3.04Å; Y9-L11 PolarHBondContact O-N 3.02Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-C14 WeakPolarHBondContact O-CB 3.49Å; L11-C14 PolarHBondContact O-N 3Å; L11-Q15 PolarHBondContact O-N 3.48Å; L11-Q15 VanDerWaalsContact O-N 3.08Å; L11-T92 HydrophobicContact CB-CG2 4.06Å; L11-T92 HydrophobicContact CD2-CG2 3.92Å; L11-T92 WeakPolarHBondContact O-CG2 3.43Å; L11-L96 HydrophobicContact CB-CD1 4.19Å; L11-L96 HydrophobicContact CB-CD2 3.66Å; L11-L96 HydrophobicContact CB-CG 3.79Å; L11-L96 HydrophobicContact CD1-CD2 4.14Å; L11-L96 HydrophobicContact CD1-CG 4.3Å; L11-I99 HydrophobicContact CD1-CD1 3.87Å; L11-I125 HydrophobicContact CD1-CD1 4.21Å; L11-I125 HydrophobicContact CD2-CD1 4.07Å; L11-I125 HydrophobicContact CD2-CG1 3.96Å; L11-I125 HydrophobicContact CG-CD1 4.45Å; L11-L209 HydrophobicContact CD2-CD2 4.43Å
12	I	98.2	Very high	92.6	Very high	83 Å²	83	53.4 Å²	53.4	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-46.8	172.9	-68.9	164.8	0	0	0	109.6	E8 Y9 C14 Q15 D16 L96	E8-I12 VanDerWaalsContact O-CG1 3.3Å; E8-I12 WeakPolarHBondContact O-CG1 3.05Å; E8-I12 PolarHBondContact O-N 3.48Å; Y9-I12 PolarHBondContact O-N 3.19Å; I12-C14 VanDerWaalsContact C-N 3.3Å; I12-C14 PolarHBondContact O-N 2.63Å; I12-Q15 WeakPolarHBondContact O-CB 3.29Å; I12-Q15 PolarHBondContact O-N 3.28Å; I12-D16 PolarHBondContact O-N 3.44Å; I12-L96 HydrophobicContact CG1-CD1 4.11Å; I12-L96 HydrophobicContact CG1-CD2 4.01Å
13	S	98.1	Very high	91.1	Very high	13 Å²	13	52.8 Å²	52.8	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-40.5	177.5	-54.8	0	0	0	0	111.7	Y9 C10 L11 Q15 D16 Q17	Y9-S13 WeakPolarHBondContact O-CB 3.37Å; Y9-S13 PolarHBondContact O-N 2.79Å; Y9-S13 PolarHBondContact O-OG 3.34Å; C10-S13 WeakPolarHBondContact O-CB 3.37Å; C10-S13 PolarHBondContact O-N 3.01Å; L11-S13 VanDerWaalsContact C-N 3.35Å; S13-Q15 PolarHBondContact O-N 3.3Å; S13-D16 PolarHBondContact O-N 3.35Å; S13-Q17 WeakPolarHBondContact O-CG 3.37Å; S13-Q17 PolarHBondContact O-N 3.04Å
14	C	97.7	Very high	89.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-46.9	171.5	-70	0	0	0	0	112.3	C10 L11 I12 D16 Q17 L18 T92 T205 Y208	C10-C14 PolarHBondContact O-N 2.81Å; C10-C14 PolarHBondContact O-SG 3.23Å; L11-C14 WeakPolarHBondContact O-CB 3.49Å; L11-C14 PolarHBondContact O-N 3Å; I12-C14 VanDerWaalsContact C-N 3.3Å; I12-C14 PolarHBondContact O-N 2.63Å; C14-D16 VanDerWaalsContact C-N 3.27Å; C14-D16 PolarHBondContact O-N 2.94Å; C14-Q17 PolarHBondContact O-N 3.49Å; C14-L18 HydrophobicContact CB-CD1 4.49Å; C14-L18 WeakPolarHBondContact O-CB 3.44Å; C14-L18 WeakPolarHBondContact O-CD1 3.43Å; C14-L18 WeakPolarHBondContact O-CG 3.33Å; C14-L18 PolarHBondContact O-N 3.38Å; C14-T92 HydrophobicContact CB-CG2 3.88Å; C14-T205 HydrophobicContact CB-CG2 4.27Å; C14-Y208 WeakPolarHBondContact SG-CB 3.36Å
15	Q	96.8	Very high	87.4	Confident	24 Å²	24	63.9 Å²	63.9	11%	0.112	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-38.9	179.7	-70.3	-160.4	-21	0	0	112	L11 I12 S13 Q17 L18 K19 L89 T92 T93 L96	L11-Q15 PolarHBondContact O-N 3.48Å; L11-Q15 VanDerWaalsContact O-N 3.08Å; I12-Q15 WeakPolarHBondContact O-CB 3.29Å; I12-Q15 PolarHBondContact O-N 3.28Å; S13-Q15 PolarHBondContact O-N 3.3Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 3.42Å; Q15-L18 PolarHBondContact O-N 3.05Å; Q15-K19 WeakPolarHBondContact O-CB 3.35Å; Q15-K19 VanDerWaalsContact O-CG 3.23Å; Q15-K19 WeakPolarHBondContact O-CG 3.29Å; Q15-K19 PolarHBondContact O-N 2.9Å; Q15-L89 HydrophobicContact CB-CD1 4.12Å; Q15-L89 HydrophobicContact CG-CD1 3.86Å; Q15-T92 HydrophobicContact CG-CG2 3.63Å; Q15-T93 PolarHBondContact NE2-OG1 3.5Å; Q15-L96 HydrophobicContact CG-CD1 4.1Å
16	D	94.5	Very high	86.1	Confident	85 Å²	85	62 Å²	62	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-67.5	-29.5	-179.8	-66.2	-18.3	0	0	0	112.5	I12 S13 C14	I12-D16 PolarHBondContact O-N 3.44Å; S13-D16 PolarHBondContact O-N 3.35Å; C14-D16 VanDerWaalsContact C-N 3.27Å; C14-D16 PolarHBondContact O-N 2.94Å
17	Q	93.9	Very high	85.1	Confident	34 Å²	34	61.9 Å²	61.9	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-80.3	-27.3	173.8	-62.3	-59.3	-21.5	0	0	113.4	S13 C14 Q15 R201 E204 T205	S13-Q17 WeakPolarHBondContact O-CG 3.37Å; S13-Q17 PolarHBondContact O-N 3.04Å; C14-Q17 PolarHBondContact O-N 3.49Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 3.42Å; Q17-R201 HydrophobicContact CB-CB 4.37Å; Q17-R201 WeakPolarHBondContact O-CD 3.42Å; Q17-R201 PolarHBondContact O-NH1 2.88Å; Q17-E204 HydrophobicContact CG-CB 4.28Å; Q17-E204 PolarHBondContact NE2-OE2 3.13Å; Q17-E204 PolarHBondContact OE1-OE2 2.95Å; Q17-T205 VanDerWaalsContact CB-OG1 3.31Å; Q17-T205 WeakPolarHBondContact CB-OG1 3.06Å
18	L	94.8	Very high	84.5	Confident	5 Å²	5	64 Å²	64	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-89.1	-32.1	-177.2	-70.2	167.1	0	0	0	113.1	C14 Q15 I85 C88 L89 L202 T205	C14-L18 HydrophobicContact CB-CD1 4.49Å; C14-L18 WeakPolarHBondContact O-CB 3.44Å; C14-L18 WeakPolarHBondContact O-CD1 3.43Å; C14-L18 WeakPolarHBondContact O-CG 3.33Å; C14-L18 PolarHBondContact O-N 3.38Å; Q15-L18 PolarHBondContact O-N 3.05Å; L18-I85 HydrophobicContact CD2-CG2 3.8Å; L18-C88 HydrophobicContact CD1-CB 4.25Å; L18-C88 VanDerWaalsContact CD1-SG 3.6Å; L18-C88 HydrophobicContact CD2-CB 4.39Å; L18-L89 HydrophobicContact CB-CB 4.22Å; L18-L89 HydrophobicContact CB-CD1 4.17Å; L18-L89 HydrophobicContact CD1-CB 4.2Å; L18-L202 HydrophobicContact CD2-CD2 4.08Å; L18-T205 HydrophobicContact CD1-CG2 4.03Å; L18-T205 HydrophobicContact CD2-CG2 4.13Å; L18-T205 HydrophobicContact CG-CG2 4.08Å
19	K	90.1	Very high	84.3	Confident	95 Å²	95	70 Å²	70	41%	0.413	36%	0.36	S	S	.	.	S	Bend	trans	-69.4	142.6	178.7	-74.2	168.9	-173.5	162.6	0	110.7	Q15 K21 L89	Q15-K19 WeakPolarHBondContact O-CB 3.35Å; Q15-K19 VanDerWaalsContact O-CG 3.23Å; Q15-K19 WeakPolarHBondContact O-CG 3.29Å; Q15-K19 PolarHBondContact O-N 2.9Å; K19-K21 PolarHBondContact O-N 3.22Å; K19-L89 HydrophobicContact CG-CD1 4.26Å; K19-L89 HydrophobicContact CG-CD2 4.15Å
20	A	79.3	Confident	84	Confident	57 Å²	57	65.1 Å²	65.1	47%	0.471	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-65	127.9	169.6	0	0	0	0	0	109.6	Y48	A20-Y48 HydrophobicContact CB-CE1 3.82Å
21	K	78.1	Confident	83.7	Confident	125 Å²	125	69.7 Å²	69.7	54%	0.543	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-84.3	160	170.3	-60.8	177.8	-177.8	176.4	0	109	K19 S26 Y48	K19-K21 PolarHBondContact O-N 3.22Å; K21-S26 PolarHBondContact O-OG 3.34Å; K21-S26 VanDerWaalsContact O-OG 3.11Å; K21-Y48 WeakPolarHBondContact O-CE2 3.43Å; K21-Y48 PolarHBondContact O-OH 3.48Å
22	S	63.5	Low	83.1	Confident	98 Å²	98	70 Å²	70	69%	0.685	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-62.3	141.4	-178.9	49.5	0	0	0	0	112.7
23	I	57.6	Low	82.4	Confident	131 Å²	131	68 Å²	68	67%	0.672	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	133	173	-59.1	170.3	0	0	0	108.7	Y48	I23-Y48 HydrophobicContact CD1-CE2 4.47Å; I23-Y48 HydrophobicContact CG1-CD2 4.5Å; I23-Y48 HydrophobicContact CG1-CE2 3.63Å
24	P	52.8	Low	81	Confident	108 Å²	108	69.6 Å²	69.6	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	cis	-110.5	2.2	23.1	20.3	-0.1	0	0	0	116.5	S26	P24-S26 VanDerWaalsContact C-N 3.29Å; P24-S26 PolarHBondContact O-N 3.02Å
25	E	55.7	Low	79	Confident	191 Å²	191	76 Å²	76	89%	0.893	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.9	-167.7	-69.4	-174.8	168.5	0	0	115.6
26	S	68.1	Low	77	Confident	20 Å²	20	79.8 Å²	79.8	14%	0.14	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	13.3	-165.4	68.6	0	0	0	0	116.5	K21 P24 E28 Y48	K21-S26 PolarHBondContact O-OG 3.34Å; K21-S26 VanDerWaalsContact O-OG 3.11Å; P24-S26 VanDerWaalsContact C-N 3.29Å; P24-S26 PolarHBondContact O-N 3.02Å; S26-E28 PolarHBondContact O-N 2.98Å; S26-Y48 WeakPolarHBondContact OG-CD2 3.36Å; S26-Y48 WeakPolarHBondContact OG-CE2 3.34Å
27	S	77.1	Confident	74.8	Confident	64 Å²	64	79.2 Å²	79.2	45%	0.448	46%	0.456	S	S	.	.			trans	-82.1	115.9	169.7	67.8	0	0	0	0	110.1	V47 Y53	S27-V47 WeakPolarHBondContact CA-O 3.3Å; S27-Y53 WeakPolarHBondContact CB-OH 3.39Å
28	E	86.3	Confident	72.8	Confident	45 Å²	45	88.8 Å²	88.8	21%	0.21	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.8	177.8	-60.8	172.4	-94.4	0	0	109.1	S26 F30 S46 V47 R201	S26-E28 PolarHBondContact O-N 2.98Å; E28-F30 HydrophobicContact CB-CD2 4.33Å; E28-F30 HydrophobicContact CB-CE2 3.38Å; E28-F30 HydrophobicContact CB-CZ 3.55Å; E28-F30 HydrophobicContact CG-CE2 4.48Å; E28-F30 HydrophobicContact CG-CZ 4.31Å; E28-S46 CarbonylContact O-C 3.56Å; E28-S46 WeakPolarHBondContact O-CA 3.49Å; E28-V47 PolarHBondContact N-O 3.28Å; E28-V47 PolarHBondContact O-N 2.96Å; E28-R201 WeakPolarHBondContact OE1-CD 3.47Å; E28-R201 IonicContact OE1-CZ 3.12Å; E28-R201 IonicContact OE1-NE 3.84Å; E28-R201 PolarHBondContact OE1-NE 2.79Å; E28-R201 IonicContact OE1-NH2 3.5Å
29	R	92.3	Very high	71.1	Confident	162 Å²	162	90.9 Å²	90.9	61%	0.611	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	123	177.7	-171.4	-179.6	177.8	-78.4	5.5	110.6	V44 L45	R29-V44 HydrophobicContact CG-CG1 4.27Å; R29-L45 CarbonylContact C-O 3.59Å; R29-L45 WeakPolarHBondContact CA-O 3.35Å
30	F	92.7	Very high	70.8	Confident	26 Å²	26	90.8 Å²	90.8	11%	0.114	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.8	-179	-56.3	-83.5	0	0	0	110.7	E28 L32 V44 L45 V47 C197 V198 I199	E28-F30 HydrophobicContact CB-CD2 4.33Å; E28-F30 HydrophobicContact CB-CE2 3.38Å; E28-F30 HydrophobicContact CB-CZ 3.55Å; E28-F30 HydrophobicContact CG-CE2 4.48Å; E28-F30 HydrophobicContact CG-CZ 4.31Å; F30-L32 HydrophobicContact CB-CD1 3.64Å; F30-V44 CarbonylContact O-C 3.58Å; F30-V44 VanDerWaalsContact O-CA 3.31Å; F30-V44 WeakPolarHBondContact O-CA 3.47Å; F30-L45 PolarHBondContact N-O 3.02Å; F30-L45 PolarHBondContact O-N 3.19Å; F30-V47 HydrophobicContact CD2-CG2 3.92Å; F30-V47 HydrophobicContact CE2-CB 4.1Å; F30-V47 HydrophobicContact CE2-CG2 3.84Å; F30-C197 HydrophobicContact CB-CB 4.29Å; F30-C197 HydrophobicContact CD1-CB 4.06Å; F30-C197 HydrophobicContact CG-CB 4.43Å; F30-C197 VanDerWaalsContact CG-SG 3.58Å; F30-V198 WeakPolarHBondContact CE1-O 3.42Å; F30-I199 HydrophobicContact CE1-CG1 4.37Å; F30-I199 HydrophobicContact CE2-CG1 4.25Å; F30-I199 HydrophobicContact CZ-CB 4.45Å; F30-I199 HydrophobicContact CZ-CG1 3.84Å
31	V	91	Very high	71.5	Confident	98 Å²	98	88.5 Å²	88.5	59%	0.594	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.6	171.8	-176.8	0	0	0	0	107.7	V44	V31-V44 HydrophobicContact CG1-CG2 4.45Å; V31-V44 HydrophobicContact CG2-CG2 4.38Å
32	L	87.7	Confident	72.2	Confident	5 Å²	5	84 Å²	84	3%	0.026	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.8	-175.2	-62.5	78.1	0	0	0	109.6	F30 S42 A43 L45 I195 C197	F30-L32 HydrophobicContact CB-CD1 3.64Å; L32-S42 WeakPolarHBondContact O-CA 3.48Å; L32-A43 HydrophobicContact CB-CB 4.32Å; L32-A43 PolarHBondContact N-O 3.3Å; L32-A43 PolarHBondContact O-N 3.22Å; L32-L45 HydrophobicContact CD1-CD1 3.87Å; L32-L45 HydrophobicContact CD1-CG 4.02Å; L32-L45 HydrophobicContact CD2-CD1 4.23Å; L32-I195 HydrophobicContact CB-CB 4.16Å; L32-I195 HydrophobicContact CB-CD1 3.46Å; L32-I195 VanDerWaalsContact CB-CD1 3.46Å; L32-I195 HydrophobicContact CB-CG1 3.76Å; L32-I195 HydrophobicContact CD2-CB 4.47Å; L32-I195 HydrophobicContact CD2-CG1 4Å; L32-C197 HydrophobicContact CD1-CB 4.15Å; L32-C197 HydrophobicContact CD2-CB 4.13Å; L32-C197 HydrophobicContact CG-CB 3.91Å
33	G	82.1	Confident	73.8	Confident	41 Å²	41	79.5 Å²	79.5	42%	0.423	45%	0.448	S	S	.	.	S	Bend	trans	78.9	159.5	-178.1	0	0	0	0	0	113
34	S	68.2	Low	75.6	Confident	48 Å²	48	75 Å²	75	34%	0.336	43%	0.427	S	S	.	.			trans	-120.4	138	173.5	-177.9	0	0	0	0	109.7	S36 S37	S34-S36 PolarHBondContact O-N 3.17Å; S34-S36 PolarHBondContact OG-N 3.44Å; S34-S36 PolarHBondContact OG-OG 3.36Å; S34-S37 PolarHBondContact O-N 3.07Å
35	P	55.6	Low	77.6	Confident	135 Å²	135	69.8 Å²	69.8	88%	0.877	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	169.1	-17.9	29	0	0	0	113.2
36	S	55.7	Low	79.5	Confident	102 Å²	102	61.1 Å²	61.1	71%	0.713	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.1	-171.5	68	0	0	0	0	114.6	S34	S34-S36 PolarHBondContact O-N 3.17Å; S34-S36 PolarHBondContact OG-N 3.44Å; S34-S36 PolarHBondContact OG-OG 3.36Å
37	S	48.9	Very low	80.7	Confident	73 Å²	73	60.2 Å²	60.2	51%	0.51	35%	0.347	S	S	.	.	S	Bend	trans	-109.1	153.1	-178.3	-57.2	0	0	0	0	108.5	S34 G39	S34-S37 PolarHBondContact O-N 3.07Å; S37-G39 PolarHBondContact O-N 3.48Å
38	Y	52.2	Low	81.3	Confident	235 Å²	235	60 Å²	60	92%	0.922	34%	0.337	S	S	*	.	S	Bend	trans	-52.3	13.7	173.7	-65.3	-92.7	0	0	0	116	H40	Y38-H40 PolarHBondContact O-N 2.74Å
39	G	58.7	Low	81.6	Confident	49 Å²	49	58.2 Å²	58.2	51%	0.505	33%	0.331	S	S	.	.			trans	-67	114.1	172.7	0	0	0	0	0	110.9	S37 I41	S37-G39 PolarHBondContact O-N 3.48Å; G39-I41 PolarHBondContact O-N 2.88Å
40	H	83.8	Confident	81.7	Confident	94 Å²	94	52 Å²	52	44%	0.435	31%	0.31	S	S	.	.	S	Bend	trans	-64.9	-3.8	172.4	-70	-67.6	0	0	0	113.7	Y38 V59 H60	Y38-H40 PolarHBondContact O-N 2.74Å; H40-V59 CarbonylContact O-C 3.48Å; H40-H60 HydrophobicContact CB-CB 3.92Å; H40-H60 AromaticContact CE1-CD2 3.98Å; H40-H60 AromaticContact ND1-CD2 3.35Å; H40-H60 PolarHBondContact ND1-CD2 3.37Å; H40-H60 VanDerWaalsContact ND1-CD2 3.35Å; H40-H60 AromaticContact ND1-CG 3.66Å; H40-H60 VanDerWaalsContact O-CB 3.31Å; H40-H60 WeakPolarHBondContact O-CB 3.44Å; H40-H60 PolarHBondContact O-N 3.34Å
41	I	92.6	Very high	81.8	Confident	9 Å²	9	53 Å²	53	5%	0.046	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.8	-177.3	64.8	170.7	0	0	0	112.8	G39 K58 V59 F173 A175 I195	G39-I41 PolarHBondContact O-N 2.88Å; I41-K58 CarbonylContact C-O 3.5Å; I41-K58 WeakPolarHBondContact CA-O 3.32Å; I41-V59 HydrophobicContact CB-CG2 4.46Å; I41-V59 HydrophobicContact CG2-CB 4.14Å; I41-V59 HydrophobicContact CG2-CG1 3.94Å; I41-V59 HydrophobicContact CG2-CG2 3.88Å; I41-F173 HydrophobicContact CB-CE1 4.33Å; I41-F173 HydrophobicContact CD1-CD1 4.03Å; I41-F173 HydrophobicContact CD1-CE1 4.26Å; I41-A175 HydrophobicContact CG2-CB 3.86Å; I41-I195 HydrophobicContact CD1-CB 4.4Å; I41-I195 HydrophobicContact CD1-CD1 4.18Å; I41-I195 HydrophobicContact CD1-CG1 3.87Å; I41-I195 HydrophobicContact CD1-CG2 4.1Å; I41-I195 HydrophobicContact CG1-CD1 4.08Å; I41-I195 HydrophobicContact CG1-CG1 4.22Å; I41-I195 HydrophobicContact CG1-CG2 3.89Å
42	S	94.3	Very high	82	Confident	31 Å²	31	48.4 Å²	48.4	22%	0.217	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.8	168.2	58.2	0	0	0	0	110.4	L32 K58	L32-S42 WeakPolarHBondContact O-CA 3.48Å; S42-K58 PolarHBondContact N-O 3.31Å; S42-K58 PolarHBondContact O-N 3.48Å
43	A	95.5	Very high	82.3	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.8	179.6	0	0	0	0	0	111.8	L32 L45 D56 L57 F173 I195	L32-A43 HydrophobicContact CB-CB 4.32Å; L32-A43 PolarHBondContact N-O 3.3Å; L32-A43 PolarHBondContact O-N 3.22Å; A43-L45 HydrophobicContact CB-CD2 4.05Å; A43-L45 HydrophobicContact CB-CG 4.18Å; A43-D56 CarbonylContact C-O 3.56Å; A43-D56 VanDerWaalsContact CA-O 3.26Å; A43-D56 WeakPolarHBondContact CA-O 3.38Å; A43-L57 HydrophobicContact CB-CD2 3.54Å; A43-F173 HydrophobicContact CB-CB 4.41Å; A43-F173 HydrophobicContact CB-CD1 3.75Å; A43-F173 HydrophobicContact CB-CE1 4.28Å; A43-F173 HydrophobicContact CB-CG 4.19Å; A43-I195 HydrophobicContact CB-CD1 3.95Å
44	V	96	Very high	82.9	Confident	35 Å²	35	52.2 Å²	52.2	21%	0.212	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	160.6	177.8	0	0	0	0	106.6	R29 F30 V31 A55 D56	R29-V44 HydrophobicContact CG-CG1 4.27Å; F30-V44 CarbonylContact O-C 3.58Å; F30-V44 VanDerWaalsContact O-CA 3.31Å; F30-V44 WeakPolarHBondContact O-CA 3.47Å; V31-V44 HydrophobicContact CG1-CG2 4.45Å; V31-V44 HydrophobicContact CG2-CG2 4.38Å; V44-A55 CarbonylContact O-C 3.57Å; V44-A55 WeakPolarHBondContact O-CA 3.34Å; V44-D56 HydrophobicContact CB-CB 4.22Å; V44-D56 PolarHBondContact N-O 3.04Å; V44-D56 PolarHBondContact O-N 3.06Å
45	L	95.7	Very high	84.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.4	-174.9	-53.7	177.7	0	0	0	109.2	R29 F30 L32 A43 V52 A55 L57 M164 L171	R29-L45 CarbonylContact C-O 3.59Å; R29-L45 WeakPolarHBondContact CA-O 3.35Å; F30-L45 PolarHBondContact N-O 3.02Å; F30-L45 PolarHBondContact O-N 3.19Å; L32-L45 HydrophobicContact CD1-CD1 3.87Å; L32-L45 HydrophobicContact CD1-CG 4.02Å; L32-L45 HydrophobicContact CD2-CD1 4.23Å; A43-L45 HydrophobicContact CB-CD2 4.05Å; A43-L45 HydrophobicContact CB-CG 4.18Å; L45-V52 HydrophobicContact CB-CG1 4.47Å; L45-V52 HydrophobicContact CD2-CG1 4.28Å; L45-A55 HydrophobicContact CD2-CB 3.75Å; L45-L57 HydrophobicContact CD2-CD2 3.77Å; L45-M164 HydrophobicContact CD1-SD 4.49Å; L45-M164 HydrophobicContact CD2-SD 3.9Å; L45-L171 HydrophobicContact CD1-CD2 3.62Å; L45-L171 HydrophobicContact CD1-CG 4.05Å
46	S	94.4	Very high	86.1	Confident	9 Å²	9	46.9 Å²	46.9	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.4	169.6	-47.6	0	0	0	0	108.9	E28 V52 Y53 E54	E28-S46 CarbonylContact O-C 3.56Å; E28-S46 WeakPolarHBondContact O-CA 3.49Å; S46-V52 WeakPolarHBondContact O-CA 3.12Å; S46-Y53 VanDerWaalsContact C-CD1 3.45Å; S46-Y53 VanDerWaalsContact CB-OH 3.27Å; S46-Y53 WeakPolarHBondContact CB-OH 3.41Å; S46-Y53 WeakPolarHBondContact O-CD1 3.33Å; S46-Y53 WeakPolarHBondContact O-CE1 3.33Å; S46-Y53 PolarHBondContact O-N 3.07Å; S46-E54 PolarHBondContact N-O 3.01Å; S46-E54 PolarHBondContact O-N 3.24Å
47	V	93.4	Very high	88.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	-172.6	-176.4	0	0	0	0	109.7	S27 E28 F30 L51 V52 L82 L171	S27-V47 WeakPolarHBondContact CA-O 3.3Å; E28-V47 PolarHBondContact N-O 3.28Å; E28-V47 PolarHBondContact O-N 2.96Å; F30-V47 HydrophobicContact CD2-CG2 3.92Å; F30-V47 HydrophobicContact CE2-CB 4.1Å; F30-V47 HydrophobicContact CE2-CG2 3.84Å; V47-L51 CarbonylContact C-O 3.53Å; V47-L51 VanDerWaalsContact CA-O 3.31Å; V47-L51 WeakPolarHBondContact CA-O 3.01Å; V47-V52 HydrophobicContact CG2-CG2 4.34Å; V47-L82 HydrophobicContact CG1-CD1 4.47Å; V47-L171 HydrophobicContact CG2-CD2 3.75Å
48	Y	90.9	Very high	90.3	Very high	59 Å²	59	43.7 Å²	43.7	23%	0.231	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	116.2	172.6	176	-95.2	0	0	0	109.1	A20 K21 I23 S26 D50 L51	A20-Y48 HydrophobicContact CB-CE1 3.82Å; K21-Y48 WeakPolarHBondContact O-CE2 3.43Å; K21-Y48 PolarHBondContact O-OH 3.48Å; I23-Y48 HydrophobicContact CD1-CE2 4.47Å; I23-Y48 HydrophobicContact CG1-CD2 4.5Å; I23-Y48 HydrophobicContact CG1-CE2 3.63Å; S26-Y48 WeakPolarHBondContact OG-CD2 3.36Å; S26-Y48 WeakPolarHBondContact OG-CE2 3.34Å; Y48-D50 PolarHBondContact O-N 2.88Å; Y48-D50 VanDerWaalsContact O-N 3.07Å; Y48-L51 PolarHBondContact N-O 3.42Å; Y48-L51 PolarHBondContact O-N 2.97Å
49	G	91.8	Very high	92.3	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-113.1	-175.7	0	0	0	0	0	111.6	R201	G49-R201 PolarHBondContact O-NH2 3.46Å
50	D	94.9	Very high	93.9	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.171	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	18.8	177.9	61.8	10.9	0	0	0	113.6	Y48 K81 L82 I85	Y48-D50 PolarHBondContact O-N 2.88Å; Y48-D50 VanDerWaalsContact O-N 3.07Å; D50-K81 IonicContact OD1-NZ 3.77Å; D50-K81 PolarHBondContact OD1-NZ 3.44Å; D50-K81 WeakPolarHBondContact OD2-CE 3.27Å; D50-K81 IonicContact OD2-NZ 2.77Å; D50-K81 PolarHBondContact OD2-NZ 3.48Å; D50-L82 WeakPolarHBondContact O-CB 3.43Å; D50-L82 PolarHBondContact O-N 3.22Å; D50-I85 HydrophobicContact CB-CB 3.78Å; D50-I85 HydrophobicContact CB-CG2 3.81Å
51	L	94.5	Very high	94.3	Very high	48 Å²	48	30.6 Å²	30.6	25%	0.251	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.6	-179.5	-59	177.6	0	0	0	111.2	V47 Y48 Y53 P79 Y80 K81	V47-L51 CarbonylContact C-O 3.53Å; V47-L51 VanDerWaalsContact CA-O 3.31Å; V47-L51 WeakPolarHBondContact CA-O 3.01Å; Y48-L51 PolarHBondContact N-O 3.42Å; Y48-L51 PolarHBondContact O-N 2.97Å; L51-Y53 PolarHBondContact O-N 3.3Å; L51-P79 HydrophobicContact CB-CB 4.08Å; L51-P79 HydrophobicContact CD1-CB 4.2Å; L51-P79 HydrophobicContact CD1-CG 4.47Å; L51-P79 HydrophobicContact CD2-CB 4.19Å; L51-P79 HydrophobicContact CG-CB 4.39Å; L51-Y80 WeakPolarHBondContact CA-O 3.46Å; L51-K81 HydrophobicContact CD2-CB 4.32Å; L51-K81 HydrophobicContact CD2-CD 3.49Å; L51-K81 VanDerWaalsContact CD2-CD 3.49Å
52	V	95.4	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	102.3	154.6	-176.2	0	0	0	0	106.2	L45 S46 V47 E54 A55 I72 P79 Y80 L82 M164 L171	L45-V52 HydrophobicContact CB-CG1 4.47Å; L45-V52 HydrophobicContact CD2-CG1 4.28Å; S46-V52 WeakPolarHBondContact O-CA 3.12Å; V47-V52 HydrophobicContact CG2-CG2 4.34Å; V52-E54 WeakPolarHBondContact CG1-O 3.38Å; V52-A55 HydrophobicContact CG1-CB 4.15Å; V52-I72 HydrophobicContact CG1-CD1 4.44Å; V52-P79 WeakPolarHBondContact O-CA 3.31Å; V52-Y80 PolarHBondContact N-O 3.04Å; V52-Y80 PolarHBondContact O-N 3.41Å; V52-L82 HydrophobicContact CG2-CD1 4.01Å; V52-L82 HydrophobicContact CG2-CD2 4.39Å; V52-L82 HydrophobicContact CG2-CG 4.2Å; V52-M164 HydrophobicContact CB-CE 4.45Å; V52-M164 HydrophobicContact CB-SD 4.43Å; V52-M164 HydrophobicContact CG1-CE 4.42Å; V52-M164 HydrophobicContact CG1-SD 4.16Å; V52-M164 HydrophobicContact CG2-CE 4.46Å; V52-M164 HydrophobicContact CG2-SD 4.04Å; V52-L171 HydrophobicContact CG2-CD2 4.34Å
53	Y	93.3	Very high	93.7	Very high	62 Å²	62	34.5 Å²	34.5	24%	0.243	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-32.8	-173.1	74.1	-92.1	0	0	0	112.1	S27 S46 L51	S27-Y53 WeakPolarHBondContact CB-OH 3.39Å; S46-Y53 VanDerWaalsContact C-CD1 3.45Å; S46-Y53 VanDerWaalsContact CB-OH 3.27Å; S46-Y53 WeakPolarHBondContact CB-OH 3.41Å; S46-Y53 WeakPolarHBondContact O-CD1 3.33Å; S46-Y53 WeakPolarHBondContact O-CE1 3.33Å; S46-Y53 PolarHBondContact O-N 3.07Å; L51-Y53 PolarHBondContact O-N 3.3Å
54	E	94.8	Very high	93.3	Very high	65 Å²	65	37.4 Å²	37.4	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.5	169.9	-75.8	-179	162.9	0	0	110.8	S46 V52 I72 K73	S46-E54 PolarHBondContact N-O 3.01Å; S46-E54 PolarHBondContact O-N 3.24Å; V52-E54 WeakPolarHBondContact CG1-O 3.38Å; E54-I72 CarbonylContact C-O 3.56Å; E54-I72 WeakPolarHBondContact CA-O 3.27Å; E54-K73 HydrophobicContact CG-CG 4.33Å
55	A	96.2	Very high	92.9	Very high	9 Å²	9	40.2 Å²	40.2	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.4	171.2	0	0	0	0	0	111.3	V44 L45 V52 L57 I71 I72	V44-A55 CarbonylContact O-C 3.57Å; V44-A55 WeakPolarHBondContact O-CA 3.34Å; L45-A55 HydrophobicContact CD2-CB 3.75Å; V52-A55 HydrophobicContact CG1-CB 4.15Å; A55-L57 HydrophobicContact CB-CD1 4.4Å; A55-L57 HydrophobicContact CB-CD2 4.03Å; A55-L57 HydrophobicContact CB-CG 4.07Å; A55-I71 CarbonylContact O-C 3.52Å; A55-I71 WeakPolarHBondContact O-CA 3.42Å; A55-I71 WeakPolarHBondContact O-CB 3.33Å; A55-I72 HydrophobicContact CB-CB 3.85Å; A55-I72 HydrophobicContact CB-CD1 3.86Å; A55-I72 HydrophobicContact CB-CG1 3.95Å; A55-I72 PolarHBondContact N-O 2.85Å; A55-I72 PolarHBondContact O-N 2.97Å
56	D	95.7	Very high	92.7	Very high	62 Å²	62	43.2 Å²	43.2	33%	0.332	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.3	164.1	-177.5	-43.2	0	0	0	107.4	A43 V44 H69	A43-D56 CarbonylContact C-O 3.56Å; A43-D56 VanDerWaalsContact CA-O 3.26Å; A43-D56 WeakPolarHBondContact CA-O 3.38Å; V44-D56 HydrophobicContact CB-CB 4.22Å; V44-D56 PolarHBondContact N-O 3.04Å; V44-D56 PolarHBondContact O-N 3.06Å; D56-H69 IonicContact OD1-CE1 2.77Å; D56-H69 PolarHBondContact OD1-CE1 2.83Å; D56-H69 IonicContact OD1-ND1 3.71Å; D56-H69 PolarHBondContact OD1-ND1 3.15Å; D56-H69 IonicContact OD2-CE1 2.81Å
57	L	96	Very high	92.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.8	-170.7	-51	174	0	0	0	109.6	A43 L45 A55 H69 S70 F152 L162 F173	A43-L57 HydrophobicContact CB-CD2 3.54Å; L45-L57 HydrophobicContact CD2-CD2 3.77Å; A55-L57 HydrophobicContact CB-CD1 4.4Å; A55-L57 HydrophobicContact CB-CD2 4.03Å; A55-L57 HydrophobicContact CB-CG 4.07Å; L57-H69 WeakPolarHBondContact O-CA 3.44Å; L57-H69 PolarHBondContact O-ND1 3.07Å; L57-S70 WeakPolarHBondContact CA-O 3.44Å; L57-S70 WeakPolarHBondContact CB-O 3.46Å; L57-S70 PolarHBondContact N-O 3.07Å; L57-S70 PolarHBondContact O-N 3.49Å; L57-F152 HydrophobicContact CD1-CD1 3.69Å; L57-F152 HydrophobicContact CD1-CE1 3.47Å; L57-F152 VanDerWaalsContact CD1-CE1 3.47Å; L57-L162 HydrophobicContact CD1-CD1 4.22Å; L57-F173 HydrophobicContact CB-CE1 4.48Å; L57-F173 HydrophobicContact CB-CZ 4.03Å; L57-F173 HydrophobicContact CD1-CE2 3.88Å; L57-F173 HydrophobicContact CD1-CZ 4.09Å; L57-F173 HydrophobicContact CD2-CD1 4.41Å; L57-F173 HydrophobicContact CD2-CD2 4.23Å; L57-F173 HydrophobicContact CD2-CE1 4.16Å; L57-F173 HydrophobicContact CD2-CE2 3.98Å; L57-F173 HydrophobicContact CD2-CG 4.43Å; L57-F173 HydrophobicContact CD2-CZ 3.94Å; L57-F173 HydrophobicContact CG-CE2 4.39Å; L57-F173 HydrophobicContact CG-CZ 4.25Å
58	K	95.2	Very high	92.6	Very high	106 Å²	106	48.2 Å²	48.2	46%	0.461	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.7	172.7	-60.7	177.6	-176.3	176.3	0	109.4	I41 S42 Y68	I41-K58 CarbonylContact C-O 3.5Å; I41-K58 WeakPolarHBondContact CA-O 3.32Å; S42-K58 PolarHBondContact N-O 3.31Å; S42-K58 PolarHBondContact O-N 3.48Å; K58-Y68 WeakPolarHBondContact CA-O 3.28Å
59	V	94.1	Very high	92.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132	-175.3	176.3	0	0	0	0	110.3	H40 I41 S67 Y68 I160 L162 F173 A175	H40-V59 CarbonylContact O-C 3.48Å; I41-V59 HydrophobicContact CB-CG2 4.46Å; I41-V59 HydrophobicContact CG2-CB 4.14Å; I41-V59 HydrophobicContact CG2-CG1 3.94Å; I41-V59 HydrophobicContact CG2-CG2 3.88Å; V59-S67 CarbonylContact O-C 3.51Å; V59-S67 WeakPolarHBondContact O-CA 3.37Å; V59-Y68 PolarHBondContact N-O 3.38Å; V59-Y68 PolarHBondContact O-N 3.14Å; V59-I160 HydrophobicContact CG1-CG2 4.38Å; V59-L162 HydrophobicContact CG2-CD2 3.78Å; V59-F173 HydrophobicContact CG2-CE1 4.06Å; V59-F173 HydrophobicContact CG2-CZ 3.84Å; V59-A175 HydrophobicContact CB-CB 4.45Å; V59-A175 HydrophobicContact CG1-CB 3.64Å; V59-A175 HydrophobicContact CG2-CB 3.9Å
60	H	93	Very high	93	Very high	49 Å²	49	49.1 Å²	49.1	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.2	171.7	-178.8	79.4	0	0	0	110.5	H40 N177	H40-H60 HydrophobicContact CB-CB 3.92Å; H40-H60 AromaticContact CE1-CD2 3.98Å; H40-H60 AromaticContact ND1-CD2 3.35Å; H40-H60 PolarHBondContact ND1-CD2 3.37Å; H40-H60 VanDerWaalsContact ND1-CD2 3.35Å; H40-H60 AromaticContact ND1-CG 3.66Å; H40-H60 VanDerWaalsContact O-CB 3.31Å; H40-H60 WeakPolarHBondContact O-CB 3.44Å; H40-H60 PolarHBondContact O-N 3.34Å; H60-N177 PolarHBondContact O-ND2 2.92Å; H60-N177 VanDerWaalsContact O-ND2 3.13Å; H60-N177 PolarHBondContact O-OD1 3.47Å
61	R	91.9	Very high	93	Very high	53 Å²	53	49.5 Å²	49.5	20%	0.2	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	101.6	179.7	-64.3	-178.5	67.8	-167.5	9	110.1	N63 T64 S65 T66 D159 I160 N177	R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.42Å; R61-T64 VanDerWaalsContact CB-OG1 3.29Å; R61-T64 WeakPolarHBondContact CB-OG1 3.5Å; R61-T64 PolarHBondContact O-N 2.94Å; R61-S65 VanDerWaalsContact O-CA 3.31Å; R61-S65 WeakPolarHBondContact O-CA 3.36Å; R61-S65 PolarHBondContact O-N 2.97Å; R61-T66 WeakPolarHBondContact CA-O 3.06Å; R61-T66 VanDerWaalsContact CB-O 3.32Å; R61-T66 WeakPolarHBondContact CB-O 3.38Å; R61-T66 PolarHBondContact N-O 3.33Å; R61-T66 PolarHBondContact O-N 3.01Å; R61-D159 IonicContact CZ-OD1 3.75Å; R61-D159 IonicContact CZ-OD2 3.87Å; R61-D159 IonicContact NE-OD1 2.61Å; R61-D159 IonicContact NE-OD2 2.92Å; R61-D159 PolarHBondContact NE-OD2 2.64Å; R61-D159 IonicContact NH2-OD1 3.39Å; R61-D159 PolarHBondContact NH2-OD1 2.97Å; R61-D159 IonicContact NH2-OD2 2.93Å; R61-D159 PolarHBondContact NH2-OD2 3.29Å; R61-I160 HydrophobicContact CG-CD1 3.45Å; R61-I160 VanDerWaalsContact CG-CD1 3.45Å; R61-I160 HydrophobicContact CG-CG1 4.27Å; R61-N177 WeakPolarHBondContact CA-OD1 3.49Å
62	T	89	Confident	93.1	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.301	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-39.4	-176.4	-54.2	0	0	0	0	112.8	T64 S65 N177 L190 N191	T62-T64 VanDerWaalsContact C-N 3.26Å; T62-T64 PolarHBondContact O-N 3.35Å; T62-S65 PolarHBondContact O-N 3.08Å; T62-N177 PolarHBondContact N-OD1 3.44Å; T62-L190 HydrophobicContact CG2-CD2 3.76Å; T62-N191 WeakPolarHBondContact CB-ND2 3.18Å; T62-N191 PolarHBondContact OG1-ND2 3.28Å
63	N	86.1	Confident	92.9	Very high	72 Å²	72	52.3 Å²	52.3	39%	0.385	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.8	-178.3	-65.8	-34.6	0	0	0	113.8	R61 L178 L190	R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.42Å; N63-L178 PolarHBondContact ND2-O 3.35Å; N63-L190 WeakPolarHBondContact OD1-CD2 3.37Å
64	T	87.7	Confident	92.4	Very high	64 Å²	64	53.9 Å²	53.9	39%	0.393	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-5.5	-175.7	57.2	0	0	0	0	112.5	R61 T62 T66	R61-T64 VanDerWaalsContact CB-OG1 3.29Å; R61-T64 WeakPolarHBondContact CB-OG1 3.5Å; R61-T64 PolarHBondContact O-N 2.94Å; T62-T64 VanDerWaalsContact C-N 3.26Å; T62-T64 PolarHBondContact O-N 3.35Å; T64-T66 WeakPolarHBondContact O-CG2 3.21Å; T64-T66 PolarHBondContact O-N 3.28Å; T64-T66 VanDerWaalsContact O-N 3.14Å; T64-T66 PolarHBondContact OG1-OG1 3.39Å
65	S	87	Confident	91.9	Very high	95 Å²	95	58.8 Å²	58.8	66%	0.664	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	27	-168.8	-58.3	0	0	0	0	113.7	R61 T62	R61-S65 VanDerWaalsContact O-CA 3.31Å; R61-S65 WeakPolarHBondContact O-CA 3.36Å; R61-S65 PolarHBondContact O-N 2.97Å; T62-S65 PolarHBondContact O-N 3.08Å
66	T	91.2	Very high	91.3	Very high	62 Å²	62	62.2 Å²	62.2	38%	0.38	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	171.2	178.8	64.8	0	0	0	0	111.6	R61 T64	R61-T66 WeakPolarHBondContact CA-O 3.06Å; R61-T66 VanDerWaalsContact CB-O 3.32Å; R61-T66 WeakPolarHBondContact CB-O 3.38Å; R61-T66 PolarHBondContact N-O 3.33Å; R61-T66 PolarHBondContact O-N 3.01Å; T64-T66 WeakPolarHBondContact O-CG2 3.21Å; T64-T66 PolarHBondContact O-N 3.28Å; T64-T66 VanDerWaalsContact O-N 3.14Å; T64-T66 PolarHBondContact OG1-OG1 3.39Å
67	S	91.3	Very high	90.5	Very high	95 Å²	95	61 Å²	61	66%	0.664	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	141	169.9	-64.6	0	0	0	0	110.9	V59	V59-S67 CarbonylContact O-C 3.51Å; V59-S67 WeakPolarHBondContact O-CA 3.37Å
68	Y	93.8	Very high	90.2	Very high	19 Å²	19	65 Å²	65	8%	0.075	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127	165.9	177.3	-117	0	0	0	108.9	K58 V59 S70 P154 P155 I156 P157 I160 L162	K58-Y68 WeakPolarHBondContact CA-O 3.28Å; V59-Y68 PolarHBondContact N-O 3.38Å; V59-Y68 PolarHBondContact O-N 3.14Å; Y68-S70 PolarHBondContact OH-OG 3.45Å; Y68-P154 HydrophobicContact CE2-CG 4.11Å; Y68-P154 PolarHBondContact OH-O 3.11Å; Y68-P155 PolarHBondContact OH-O 2.83Å; Y68-I156 HydrophobicContact CE1-CG1 4.4Å; Y68-I156 HydrophobicContact CE1-CG2 4.36Å; Y68-I156 WeakPolarHBondContact OH-CA 3.31Å; Y68-I156 PolarHBondContact OH-N 2.8Å; Y68-P157 HydrophobicContact CD2-CG 4.05Å; Y68-P157 VanDerWaalsContact CE2-CD 3.45Å; Y68-P157 HydrophobicContact CE2-CG 4Å; Y68-I160 HydrophobicContact CD1-CD1 3.97Å; Y68-I160 HydrophobicContact CG-CD1 3.97Å; Y68-L162 HydrophobicContact CE1-CD1 3.99Å
69	H	95.2	Very high	90.2	Very high	86 Å²	86	62 Å²	62	40%	0.398	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.8	174.7	173.1	59.5	0	0	0	108.7	D56 L57	D56-H69 IonicContact OD1-CE1 2.77Å; D56-H69 PolarHBondContact OD1-CE1 2.83Å; D56-H69 IonicContact OD1-ND1 3.71Å; D56-H69 PolarHBondContact OD1-ND1 3.15Å; D56-H69 IonicContact OD2-CE1 2.81Å; L57-H69 WeakPolarHBondContact O-CA 3.44Å; L57-H69 PolarHBondContact O-ND1 3.07Å
70	S	95.6	Very high	90.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.007	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.3	-179.7	-171	0	0	0	0	110.3	L57 Y68 F152 Y153	L57-S70 WeakPolarHBondContact CA-O 3.44Å; L57-S70 WeakPolarHBondContact CB-O 3.46Å; L57-S70 PolarHBondContact N-O 3.07Å; L57-S70 PolarHBondContact O-N 3.49Å; Y68-S70 PolarHBondContact OH-OG 3.45Å; S70-F152 WeakPolarHBondContact OG-CB 3.34Å; S70-Y153 CarbonylContact C-O 3.5Å; S70-Y153 VanDerWaalsContact CA-O 3.3Å; S70-Y153 WeakPolarHBondContact CA-O 3.47Å; S70-Y153 PolarHBondContact OG-N 3.07Å; S70-Y153 PolarHBondContact OG-O 2.92Å
71	I	96.4	Very high	90.4	Very high	40 Å²	40	63.7 Å²	63.7	21%	0.205	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.5	178.2	63.2	168.2	0	0	0	111	A55 K73 Y153	A55-I71 CarbonylContact O-C 3.52Å; A55-I71 WeakPolarHBondContact O-CA 3.42Å; A55-I71 WeakPolarHBondContact O-CB 3.33Å; I71-K73 HydrophobicContact CD1-CB 4.37Å; I71-Y153 HydrophobicContact CD1-CD1 4.43Å; I71-Y153 HydrophobicContact CG1-CD1 4.33Å; I71-Y153 WeakPolarHBondContact CG1-O 3.46Å; I71-Y153 PolarHBondContact N-O 2.86Å; I71-Y153 PolarHBondContact O-N 2.91Å
72	I	96.1	Very high	90.6	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.6	159.4	-60.4	170	0	0	0	105	V52 E54 A55 C151 F152 M164	V52-I72 HydrophobicContact CG1-CD1 4.44Å; E54-I72 CarbonylContact C-O 3.56Å; E54-I72 WeakPolarHBondContact CA-O 3.27Å; A55-I72 HydrophobicContact CB-CB 3.85Å; A55-I72 HydrophobicContact CB-CD1 3.86Å; A55-I72 HydrophobicContact CB-CG1 3.95Å; A55-I72 PolarHBondContact N-O 2.85Å; A55-I72 PolarHBondContact O-N 2.97Å; I72-C151 HydrophobicContact CD1-CB 4.35Å; I72-C151 HydrophobicContact CG1-CB 4.32Å; I72-F152 HydrophobicContact CD1-CD1 4.26Å; I72-F152 HydrophobicContact CD1-CE1 3.99Å; I72-F152 HydrophobicContact CD1-CZ 4.5Å; I72-F152 HydrophobicContact CG1-CD1 4.15Å; I72-F152 HydrophobicContact CG1-CE1 4.38Å; I72-M164 HydrophobicContact CD1-CE 3.38Å
73	K	92.1	Very high	90.9	Very high	105 Å²	105	63 Å²	63	46%	0.457	36%	0.355	S	S	.	.			trans	-159.6	153.9	177.9	-166.1	167.3	-173.2	174.4	0	110	E54 I71 H76	E54-K73 HydrophobicContact CG-CG 4.33Å; I71-K73 HydrophobicContact CD1-CB 4.37Å; K73-H76 PolarHBondContact O-N 3.31Å; K73-H76 VanDerWaalsContact O-N 3.16Å
74	D	82.8	Confident	91.5	Very high	95 Å²	95	60.2 Å²	60.2	51%	0.508	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	144.1	167.5	-69.1	-12.7	0	0	0	110.9	H76	D74-H76 PolarHBondContact O-N 3.47Å
75	N	83.6	Confident	91.9	Very high	168 Å²	168	57.2 Å²	57.2	90%	0.898	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-12.6	-174.3	-48.5	-50.9	0	0	0	116.8
76	H	83.3	Confident	92.4	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.37	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.5	176.9	-73.7	-82.5	0	0	0	114	K73 D74 Y153	K73-H76 PolarHBondContact O-N 3.31Å; K73-H76 VanDerWaalsContact O-N 3.16Å; D74-H76 PolarHBondContact O-N 3.47Å; H76-Y153 HydrophobicContact CB-CD2 4.47Å; H76-Y153 HydrophobicContact CB-CG 4.02Å; H76-Y153 AromaticContact CE1-CD1 3.79Å; H76-Y153 AromaticContact CE1-CE1 3.64Å; H76-Y153 AromaticContact CG-CG 3.96Å; H76-Y153 AromaticContact ND1-CD1 3.27Å; H76-Y153 VanDerWaalsContact ND1-CD1 3.27Å; H76-Y153 WeakPolarHBondContact ND1-CD1 3.33Å; H76-Y153 AromaticContact ND1-CD2 3.66Å; H76-Y153 AromaticContact ND1-CE1 3.47Å; H76-Y153 WeakPolarHBondContact ND1-CE1 3.21Å; H76-Y153 AromaticContact ND1-CE2 3.84Å; H76-Y153 AromaticContact ND1-CG 3.37Å; H76-Y153 AromaticContact ND1-CZ 3.76Å
77	G	78.5	Confident	92.7	Very high	37 Å²	37	55.3 Å²	55.3	38%	0.381	30%	0.299	S	S	.	.	S	Bend	trans	169	-163.4	-179.2	0	0	0	0	0	111.4
78	S	90.8	Very high	93.1	Very high	85 Å²	85	50.8 Å²	50.8	59%	0.594	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-95.6	151	171.3	-54.7	0	0	0	0	110.6	C151	S78-C151 WeakPolarHBondContact O-CA 3.46Å; S78-C151 VanDerWaalsContact O-CB 3.31Å; S78-C151 WeakPolarHBondContact O-CB 3.46Å; S78-C151 PolarHBondContact O-SG 3.25Å
79	P	93.8	Very high	93.3	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-51.2	150.2	168.1	-28.9	37.1	0	0	0	112.4	L51 V52	L51-P79 HydrophobicContact CB-CB 4.08Å; L51-P79 HydrophobicContact CD1-CB 4.2Å; L51-P79 HydrophobicContact CD1-CG 4.47Å; L51-P79 HydrophobicContact CD2-CB 4.19Å; L51-P79 HydrophobicContact CG-CB 4.39Å; V52-P79 WeakPolarHBondContact O-CA 3.31Å
80	Y	95.8	Very high	93.5	Very high	13 Å²	13	50.8 Å²	50.8	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.6	176.1	-173.2	-73.5	0	0	0	110	L51 V52 L82 C151 F152 M164	L51-Y80 WeakPolarHBondContact CA-O 3.46Å; V52-Y80 PolarHBondContact N-O 3.04Å; V52-Y80 PolarHBondContact O-N 3.41Å; Y80-L82 HydrophobicContact CD1-CD2 4.31Å; Y80-L82 HydrophobicContact CE1-CD2 4.25Å; Y80-C151 HydrophobicContact CD2-CB 4.41Å; Y80-F152 AromaticContact CD2-CE2 3.97Å; Y80-F152 HydrophobicContact CD2-CE2 3.97Å; Y80-F152 AromaticContact CD2-CZ 3.85Å; Y80-F152 HydrophobicContact CD2-CZ 3.85Å; Y80-F152 HydrophobicContact CE2-CE2 4.05Å; Y80-F152 AromaticContact CE2-CZ 3.95Å; Y80-F152 HydrophobicContact CE2-CZ 3.95Å; Y80-M164 HydrophobicContact CD1-CB 4.14Å; Y80-M164 HydrophobicContact CD1-CE 3.86Å; Y80-M164 HydrophobicContact CD2-CE 3.52Å; Y80-M164 HydrophobicContact CE1-CB 3.76Å; Y80-M164 HydrophobicContact CE1-CE 4.4Å; Y80-M164 WeakPolarHBondContact CE1-O 3.22Å; Y80-M164 HydrophobicContact CE2-CE 4.07Å; Y80-M164 HydrophobicContact CG-CE 3.4Å; Y80-M164 PolarHBondContact OH-N 2.79Å; Y80-M164 VanDerWaalsContact OH-N 3.15Å; Y80-M164 PolarHBondContact OH-O 3.12Å
81	K	95.6	Very high	93.6	Very high	72 Å²	72	54 Å²	54	31%	0.313	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.6	-177.9	-173.3	70	172.4	-170.2	0	111.8	D50 L51 Q83	D50-K81 IonicContact OD1-NZ 3.77Å; D50-K81 PolarHBondContact OD1-NZ 3.44Å; D50-K81 WeakPolarHBondContact OD2-CE 3.27Å; D50-K81 IonicContact OD2-NZ 2.77Å; D50-K81 PolarHBondContact OD2-NZ 3.48Å; L51-K81 HydrophobicContact CD2-CB 4.32Å; L51-K81 HydrophobicContact CD2-CD 3.49Å; L51-K81 VanDerWaalsContact CD2-CD 3.49Å; K81-Q83 VanDerWaalsContact C-N 3.34Å; K81-Q83 PolarHBondContact O-N 2.95Å
82	L	96.2	Very high	93.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.274	C	S	.	.			trans	-88.3	73.7	169.6	-61.9	171.2	0	0	0	109.4	V47 D50 V52 Y80 Q84 I85 M164 I166 L171	V47-L82 HydrophobicContact CG1-CD1 4.47Å; D50-L82 WeakPolarHBondContact O-CB 3.43Å; D50-L82 PolarHBondContact O-N 3.22Å; V52-L82 HydrophobicContact CG2-CD1 4.01Å; V52-L82 HydrophobicContact CG2-CD2 4.39Å; V52-L82 HydrophobicContact CG2-CG 4.2Å; Y80-L82 HydrophobicContact CD1-CD2 4.31Å; Y80-L82 HydrophobicContact CE1-CD2 4.25Å; L82-Q84 PolarHBondContact O-N 3.47Å; L82-I85 HydrophobicContact CB-CD1 4Å; L82-I85 HydrophobicContact CB-CG1 4.28Å; L82-I85 HydrophobicContact CD1-CD1 3.97Å; L82-I85 PolarHBondContact O-N 2.85Å; L82-M164 HydrophobicContact CD2-CB 4.4Å; L82-I166 HydrophobicContact CD1-CD1 4.21Å; L82-L171 HydrophobicContact CD1-CD1 4.11Å; L82-L171 HydrophobicContact CD2-CD1 3.72Å
83	Q	96.4	Very high	93.8	Very high	87 Å²	87	54 Å²	54	41%	0.407	29%	0.286	S	S	.	.	H	α-helix	trans	-49.9	-35.3	-173	-169.9	57.7	48.7	0	0	113.6	K81 I85 Q86 D87	K81-Q83 VanDerWaalsContact C-N 3.34Å; K81-Q83 PolarHBondContact O-N 2.95Å; Q83-I85 PolarHBondContact O-N 3.38Å; Q83-Q86 WeakPolarHBondContact O-CB 3.16Å; Q83-Q86 PolarHBondContact O-N 2.88Å; Q83-Q86 VanDerWaalsContact O-N 3.07Å; Q83-D87 PolarHBondContact NE2-OD1 3.4Å; Q83-D87 VanDerWaalsContact O-CG 3.29Å; Q83-D87 PolarHBondContact O-N 3.37Å
84	Q	97.9	Very high	94.1	Very high	13 Å²	13	53.7 Å²	53.7	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-52.5	-37.1	176.6	-69	174.2	-96.8	0	0	114	L82 C88 C131 I166	L82-Q84 PolarHBondContact O-N 3.47Å; Q84-C88 WeakPolarHBondContact O-CB 3.42Å; Q84-C88 PolarHBondContact O-N 2.81Å; Q84-C131 VanDerWaalsContact CB-O 3.25Å; Q84-C131 WeakPolarHBondContact CB-O 3.44Å; Q84-C131 WeakPolarHBondContact CG-O 3.44Å; Q84-C131 PolarHBondContact NE2-O 3.38Å; Q84-I166 HydrophobicContact CB-CB 4.42Å; Q84-I166 PolarHBondContact NE2-O 3.11Å
85	I	97.5	Very high	94.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-42.7	179.7	-63	178.6	0	0	0	110.1	L18 D50 L82 Q83 C88 L89 L132 I166 L202	L18-I85 HydrophobicContact CD2-CG2 3.8Å; D50-I85 HydrophobicContact CB-CB 3.78Å; D50-I85 HydrophobicContact CB-CG2 3.81Å; L82-I85 HydrophobicContact CB-CD1 4Å; L82-I85 HydrophobicContact CB-CG1 4.28Å; L82-I85 HydrophobicContact CD1-CD1 3.97Å; L82-I85 PolarHBondContact O-N 2.85Å; Q83-I85 PolarHBondContact O-N 3.38Å; I85-C88 PolarHBondContact O-N 2.88Å; I85-L89 PolarHBondContact O-N 3.38Å; I85-L132 HydrophobicContact CG1-CD2 4.39Å; I85-I166 HydrophobicContact CD1-CD1 4.36Å; I85-I166 HydrophobicContact CD1-CG1 4.31Å; I85-I166 HydrophobicContact CG1-CG1 4.11Å; I85-L202 HydrophobicContact CD1-CD1 4.28Å; I85-L202 HydrophobicContact CD1-CD2 4.42Å; I85-L202 HydrophobicContact CG1-CD2 4.34Å
86	Q	97	Very high	95.6	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-43	176	-170.4	-177	4.5	0	0	111.3	Q83 C88 L89 N90	Q83-Q86 WeakPolarHBondContact O-CB 3.16Å; Q83-Q86 PolarHBondContact O-N 2.88Å; Q83-Q86 VanDerWaalsContact O-N 3.07Å; Q86-C88 PolarHBondContact O-N 3.05Å; Q86-L89 WeakPolarHBondContact O-CB 3.41Å; Q86-L89 PolarHBondContact O-N 3.21Å; Q86-L89 VanDerWaalsContact O-N 3.15Å; Q86-N90 PolarHBondContact O-N 3.41Å; Q86-N90 PolarHBondContact O-ND2 3.21Å
87	D	98.2	Very high	96.3	Very high	52 Å²	52	44.4 Å²	44.4	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-41.6	179.9	-63.1	-17	0	0	0	111	Q83 L89 N90 Y91 C131	Q83-D87 PolarHBondContact NE2-OD1 3.4Å; Q83-D87 VanDerWaalsContact O-CG 3.29Å; Q83-D87 PolarHBondContact O-N 3.37Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 PolarHBondContact O-N 3.4Å; D87-N90 WeakPolarHBondContact O-CB 3.45Å; D87-N90 PolarHBondContact O-N 3.38Å; D87-N90 VanDerWaalsContact O-N 3.13Å; D87-Y91 VanDerWaalsContact O-CD2 3.29Å; D87-Y91 WeakPolarHBondContact O-CD2 3.2Å; D87-Y91 PolarHBondContact O-N 3.23Å; D87-C131 HydrophobicContact CB-CB 4.27Å
88	C	98.6	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-43.6	171.3	-176.8	0	0	0	0	111.8	L18 Q84 I85 Q86 Y91 T92 A128 C131 L132	L18-C88 HydrophobicContact CD1-CB 4.25Å; L18-C88 VanDerWaalsContact CD1-SG 3.6Å; L18-C88 HydrophobicContact CD2-CB 4.39Å; Q84-C88 WeakPolarHBondContact O-CB 3.42Å; Q84-C88 PolarHBondContact O-N 2.81Å; I85-C88 PolarHBondContact O-N 2.88Å; Q86-C88 PolarHBondContact O-N 3.05Å; C88-Y91 PolarHBondContact O-N 3.01Å; C88-T92 WeakPolarHBondContact O-CB 3.49Å; C88-T92 PolarHBondContact O-N 3.34Å; C88-T92 PolarHBondContact O-OG1 3.22Å; C88-A128 PolarHBondContact SG-O 3.2Å; C88-A128 VanDerWaalsContact SG-O 3.41Å; C88-C131 HydrophobicContact CB-CB 4.07Å; C88-L132 HydrophobicContact CB-CD1 4.41Å; C88-L132 HydrophobicContact CB-CD2 3.97Å; C88-L132 HydrophobicContact CB-CG 4.03Å
89	L	98.2	Very high	97.4	Very high	34 Å²	34	41 Å²	41	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-40.6	176	178	60	0	0	0	111.6	Q15 L18 K19 I85 Q86 D87 T92 T93	Q15-L89 HydrophobicContact CB-CD1 4.12Å; Q15-L89 HydrophobicContact CG-CD1 3.86Å; L18-L89 HydrophobicContact CB-CB 4.22Å; L18-L89 HydrophobicContact CB-CD1 4.17Å; L18-L89 HydrophobicContact CD1-CB 4.2Å; K19-L89 HydrophobicContact CG-CD1 4.26Å; K19-L89 HydrophobicContact CG-CD2 4.15Å; I85-L89 PolarHBondContact O-N 3.38Å; Q86-L89 WeakPolarHBondContact O-CB 3.41Å; Q86-L89 PolarHBondContact O-N 3.21Å; Q86-L89 VanDerWaalsContact O-N 3.15Å; D87-L89 VanDerWaalsContact C-N 3.3Å; D87-L89 PolarHBondContact O-N 3.4Å; L89-T92 PolarHBondContact O-N 2.87Å; L89-T93 WeakPolarHBondContact O-CB 3.35Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 2.89Å
90	N	98.3	Very high	97.6	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-47.7	177.5	-67.3	-25	0	0	0	111.4	Q86 D87 T93 K94	Q86-N90 PolarHBondContact O-N 3.41Å; Q86-N90 PolarHBondContact O-ND2 3.21Å; D87-N90 WeakPolarHBondContact O-CB 3.45Å; D87-N90 PolarHBondContact O-N 3.38Å; D87-N90 VanDerWaalsContact O-N 3.13Å; N90-T93 WeakPolarHBondContact O-CB 3.16Å; N90-T93 PolarHBondContact O-N 2.9Å; N90-K94 WeakPolarHBondContact O-CG 3.33Å; N90-K94 PolarHBondContact O-N 2.77Å
91	Y	98.7	Very high	97.6	Very high	68 Å²	68	48.5 Å²	48.5	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-36.8	178	-80.8	-72.6	0	0	0	113.2	D87 C88 T93 K94 S95 Y124 D127	D87-Y91 VanDerWaalsContact O-CD2 3.29Å; D87-Y91 WeakPolarHBondContact O-CD2 3.2Å; D87-Y91 PolarHBondContact O-N 3.23Å; C88-Y91 PolarHBondContact O-N 3.01Å; Y91-T93 VanDerWaalsContact C-N 3.3Å; Y91-T93 PolarHBondContact O-N 3.08Å; Y91-K94 HydrophobicContact CD1-CD 4.5Å; Y91-K94 PolarHBondContact O-N 2.92Å; Y91-S95 WeakPolarHBondContact O-CB 3.5Å; Y91-S95 PolarHBondContact O-N 3.47Å; Y91-S95 PolarHBondContact O-OG 3.13Å; Y91-Y124 HydrophobicContact CD1-CD1 4.38Å; Y91-D127 HydrophobicContact CD1-CB 3.69Å; Y91-D127 HydrophobicContact CD2-CB 4.25Å; Y91-D127 HydrophobicContact CE1-CB 3.47Å; Y91-D127 VanDerWaalsContact CE1-CB 3.47Å; Y91-D127 HydrophobicContact CE2-CB 4.09Å; Y91-D127 HydrophobicContact CG-CB 4.07Å
92	T	98.4	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-40.1	173	-54.6	0	0	0	0	111	L11 C14 Q15 C88 L89 S95 L96	L11-T92 HydrophobicContact CB-CG2 4.06Å; L11-T92 HydrophobicContact CD2-CG2 3.92Å; L11-T92 WeakPolarHBondContact O-CG2 3.43Å; C14-T92 HydrophobicContact CB-CG2 3.88Å; Q15-T92 HydrophobicContact CG-CG2 3.63Å; C88-T92 WeakPolarHBondContact O-CB 3.49Å; C88-T92 PolarHBondContact O-N 3.34Å; C88-T92 PolarHBondContact O-OG1 3.22Å; L89-T92 PolarHBondContact O-N 2.87Å; T92-S95 WeakPolarHBondContact O-CB 3.39Å; T92-S95 PolarHBondContact O-N 3.42Å; T92-L96 PolarHBondContact O-N 3.34Å; T92-L96 VanDerWaalsContact O-N 3.1Å
93	T	98.3	Very high	97.5	Very high	42 Å²	42	48.8 Å²	48.8	26%	0.258	24%	0.237	S	C	.	.	H	α-helix	trans	-63.8	-48.8	175.8	-53.9	0	0	0	0	111.6	Q15 L89 N90 Y91 S95 L96 E97	Q15-T93 PolarHBondContact NE2-OG1 3.5Å; L89-T93 WeakPolarHBondContact O-CB 3.35Å; L89-T93 PolarHBondContact O-N 3.36Å; L89-T93 PolarHBondContact O-OG1 2.89Å; N90-T93 WeakPolarHBondContact O-CB 3.16Å; N90-T93 PolarHBondContact O-N 2.9Å; Y91-T93 VanDerWaalsContact C-N 3.3Å; Y91-T93 PolarHBondContact O-N 3.08Å; T93-S95 PolarHBondContact O-N 3.1Å; T93-L96 PolarHBondContact O-N 3.41Å; T93-L96 VanDerWaalsContact O-N 3.13Å; T93-E97 HydrophobicContact CG2-CG 4.44Å; T93-E97 WeakPolarHBondContact O-CG 3.38Å; T93-E97 PolarHBondContact O-N 2.9Å
94	K	98.3	Very high	97.5	Very high	100 Å²	100	51.4 Å²	51.4	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-56	-40.2	174.6	-72.9	177.9	178.6	-179.9	0	112.2	N90 Y91 E97 K98 Y124	N90-K94 WeakPolarHBondContact O-CG 3.33Å; N90-K94 PolarHBondContact O-N 2.77Å; Y91-K94 HydrophobicContact CD1-CD 4.5Å; Y91-K94 PolarHBondContact O-N 2.92Å; K94-E97 PolarHBondContact O-N 3.29Å; K94-K98 WeakPolarHBondContact O-CB 3.39Å; K94-K98 PolarHBondContact O-N 3.46Å; K94-Y124 HydrophobicContact CB-CD2 4.39Å
95	S	98.5	Very high	97.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-47.5	176.6	-56.8	0	0	0	0	111.7	Y91 T92 T93 K98 I99 Y124	Y91-S95 WeakPolarHBondContact O-CB 3.5Å; Y91-S95 PolarHBondContact O-N 3.47Å; Y91-S95 PolarHBondContact O-OG 3.13Å; T92-S95 WeakPolarHBondContact O-CB 3.39Å; T92-S95 PolarHBondContact O-N 3.42Å; T93-S95 PolarHBondContact O-N 3.1Å; S95-K98 WeakPolarHBondContact O-CB 3.37Å; S95-K98 PolarHBondContact O-N 3.35Å; S95-I99 WeakPolarHBondContact O-CG1 3.23Å; S95-I99 PolarHBondContact O-N 2.79Å; S95-I99 VanDerWaalsContact O-N 3.11Å; S95-Y124 WeakPolarHBondContact OG-CB 3.28Å
96	L	98.4	Very high	97.1	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-41.1	178	-73.8	170	0	0	0	112.7	E8 L11 I12 Q15 T92 T93 K98 I99 K100	E8-L96 HydrophobicContact CB-CD2 4.46Å; E8-L96 HydrophobicContact CG-CD2 4.49Å; L11-L96 HydrophobicContact CB-CD1 4.19Å; L11-L96 HydrophobicContact CB-CD2 3.66Å; L11-L96 HydrophobicContact CB-CG 3.79Å; L11-L96 HydrophobicContact CD1-CD2 4.14Å; L11-L96 HydrophobicContact CD1-CG 4.3Å; I12-L96 HydrophobicContact CG1-CD1 4.11Å; I12-L96 HydrophobicContact CG1-CD2 4.01Å; Q15-L96 HydrophobicContact CG-CD1 4.1Å; T92-L96 PolarHBondContact O-N 3.34Å; T92-L96 VanDerWaalsContact O-N 3.1Å; T93-L96 PolarHBondContact O-N 3.41Å; T93-L96 VanDerWaalsContact O-N 3.13Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 2.91Å; L96-I99 PolarHBondContact O-N 3.11Å; L96-K100 WeakPolarHBondContact O-CB 3.26Å; L96-K100 PolarHBondContact O-N 3.27Å
97	E	98	Very high	96.9	Very high	119 Å²	119	57.2 Å²	57.2	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-39.2	174.9	-72.1	175.3	169.1	0	0	111.9	T93 K94 K100 S101	T93-E97 HydrophobicContact CG2-CG 4.44Å; T93-E97 WeakPolarHBondContact O-CG 3.38Å; T93-E97 PolarHBondContact O-N 2.9Å; K94-E97 PolarHBondContact O-N 3.29Å; E97-K100 PolarHBondContact O-N 3.25Å; E97-S101 WeakPolarHBondContact O-CB 3.14Å; E97-S101 PolarHBondContact O-N 2.98Å; E97-S101 PolarHBondContact O-OG 3.11Å
98	K	97.1	Very high	96.7	Very high	51 Å²	51	56.8 Å²	56.8	22%	0.222	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-45.9	174.5	-178.6	59.6	169.2	-163.1	0	111.7	K94 S95 L96 S101 A102 F117 E120 Y124	K94-K98 WeakPolarHBondContact O-CB 3.39Å; K94-K98 PolarHBondContact O-N 3.46Å; S95-K98 WeakPolarHBondContact O-CB 3.37Å; S95-K98 PolarHBondContact O-N 3.35Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 2.91Å; K98-S101 PolarHBondContact O-OG 2.8Å; K98-S101 VanDerWaalsContact O-OG 3.04Å; K98-A102 WeakPolarHBondContact O-CB 3.42Å; K98-A102 PolarHBondContact O-N 2.84Å; K98-A102 VanDerWaalsContact O-N 3.11Å; K98-F117 HydrophobicContact CG-CD2 4.38Å; K98-F117 HydrophobicContact CG-CE2 4.07Å; K98-E120 WeakPolarHBondContact CE-OE2 3.14Å; K98-E120 IonicContact NZ-OE1 3.06Å; K98-E120 PolarHBondContact NZ-OE1 2.91Å; K98-E120 IonicContact NZ-OE2 3.33Å; K98-E120 PolarHBondContact NZ-OE2 3.47Å; K98-Y124 HydrophobicContact CB-CD2 4.45Å; K98-Y124 HydrophobicContact CB-CE2 4.27Å; K98-Y124 HydrophobicContact CG-CE2 4.39Å
99	I	97.1	Very high	96.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-46.2	177.8	-59.6	168.3	0	0	0	110.5	L4 V7 E8 L11 S95 L96 A102 K103 F117 L121	L4-I99 HydrophobicContact CD1-CD1 4.09Å; L4-I99 HydrophobicContact CD1-CG1 4.1Å; L4-I99 HydrophobicContact CD1-CG2 4.03Å; L4-I99 HydrophobicContact CD2-CG2 4.03Å; L4-I99 HydrophobicContact CG-CG2 3.98Å; V7-I99 HydrophobicContact CG1-CD1 4.07Å; E8-I99 HydrophobicContact CG-CB 4.32Å; E8-I99 HydrophobicContact CG-CD1 3.65Å; E8-I99 HydrophobicContact CG-CG2 3.76Å; E8-I99 WeakPolarHBondContact OE1-CG2 3.4Å; L11-I99 HydrophobicContact CD1-CD1 3.87Å; S95-I99 WeakPolarHBondContact O-CG1 3.23Å; S95-I99 PolarHBondContact O-N 2.79Å; S95-I99 VanDerWaalsContact O-N 3.11Å; L96-I99 PolarHBondContact O-N 3.11Å; I99-A102 PolarHBondContact O-N 3.04Å; I99-K103 HydrophobicContact CG2-CD 4.04Å; I99-K103 HydrophobicContact CG2-CG 4.4Å; I99-K103 WeakPolarHBondContact O-CB 3.27Å; I99-K103 WeakPolarHBondContact O-CG 3.47Å; I99-K103 PolarHBondContact O-N 3.32Å; I99-F117 HydrophobicContact CG1-CZ 4.32Å; I99-L121 HydrophobicContact CD1-CD1 4.02Å; I99-L121 HydrophobicContact CD1-CD2 3.94Å; I99-L121 HydrophobicContact CG1-CD1 3.89Å; I99-L121 HydrophobicContact CG1-CD2 3.8Å
100	K	96.5	Very high	96.2	Very high	151 Å²	151	64.6 Å²	64.6	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-48.9	-179.3	-176.7	-179.2	178.1	-177.2	0	111.9	L96 E97 K103 I104	L96-K100 WeakPolarHBondContact O-CB 3.26Å; L96-K100 PolarHBondContact O-N 3.27Å; E97-K100 PolarHBondContact O-N 3.25Å; K100-K103 PolarHBondContact O-N 2.98Å; K100-I104 WeakPolarHBondContact O-CG1 3.32Å; K100-I104 PolarHBondContact O-N 2.87Å
101	S	96.3	Very high	96	Very high	64 Å²	64	61.6 Å²	61.6	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-43.9	179.5	54.1	0	0	0	0	112	E97 K98 K103 I104	E97-S101 WeakPolarHBondContact O-CB 3.14Å; E97-S101 PolarHBondContact O-N 2.98Å; E97-S101 PolarHBondContact O-OG 3.11Å; K98-S101 PolarHBondContact O-OG 2.8Å; K98-S101 VanDerWaalsContact O-OG 3.04Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 2.78Å; S101-I104 WeakPolarHBondContact O-CB 3.01Å; S101-I104 PolarHBondContact O-N 3.37Å; S101-I104 VanDerWaalsContact O-N 3.17Å
102	A	95.9	Very high	95.7	Very high	11 Å²	11	58.7 Å²	58.7	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-36.5	179.6	0	0	0	0	0	112.6	K98 I99 I104 S105 T106 L111 F117	K98-A102 WeakPolarHBondContact O-CB 3.42Å; K98-A102 PolarHBondContact O-N 2.84Å; K98-A102 VanDerWaalsContact O-N 3.11Å; I99-A102 PolarHBondContact O-N 3.04Å; A102-I104 VanDerWaalsContact C-N 3.26Å; A102-I104 PolarHBondContact O-N 3.31Å; A102-S105 PolarHBondContact O-N 3.15Å; A102-S105 PolarHBondContact O-OG 2.97Å; A102-T106 WeakPolarHBondContact O-CB 3.23Å; A102-T106 PolarHBondContact O-N 3.42Å; A102-T106 VanDerWaalsContact O-N 3.07Å; A102-L111 HydrophobicContact CB-CD1 3.83Å; A102-L111 HydrophobicContact CB-CD2 3.66Å; A102-L111 HydrophobicContact CB-CG 4.41Å; A102-F117 HydrophobicContact CB-CD2 3.89Å; A102-F117 HydrophobicContact CB-CE2 3.49Å; A102-F117 VanDerWaalsContact CB-CE2 3.49Å; A102-F117 HydrophobicContact CB-CZ 4.33Å
103	K	94.8	Very high	95.4	Very high	69 Å²	69	63.9 Å²	63.9	30%	0.3	34%	0.338	S	S	.	.	H	α-helix	trans	-68.8	-19.1	176.6	-77.1	179.6	173.5	-175.6	0	114.4	E8 I99 K100 S101 V108 L111	E8-K103 WeakPolarHBondContact OE1-CE 3.41Å; E8-K103 IonicContact OE1-NZ 2.66Å; E8-K103 PolarHBondContact OE1-NZ 3.05Å; E8-K103 IonicContact OE2-NZ 2.61Å; E8-K103 PolarHBondContact OE2-NZ 3.32Å; I99-K103 HydrophobicContact CG2-CD 4.04Å; I99-K103 HydrophobicContact CG2-CG 4.4Å; I99-K103 WeakPolarHBondContact O-CB 3.27Å; I99-K103 WeakPolarHBondContact O-CG 3.47Å; I99-K103 PolarHBondContact O-N 3.32Å; K100-K103 PolarHBondContact O-N 2.98Å; S101-K103 VanDerWaalsContact C-N 3.32Å; S101-K103 PolarHBondContact O-N 2.78Å; K103-V108 HydrophobicContact CG-CG2 4.32Å; K103-L111 HydrophobicContact CG-CD1 3.99Å
104	I	94.7	Very high	95.2	Very high	141 Å²	141	63.9 Å²	63.9	72%	0.723	34%	0.34	S	S	*	.	H	α-helix	trans	-73.7	-39.3	176.4	-66.6	166.5	0	0	0	110.4	K100 S101 A102	K100-I104 WeakPolarHBondContact O-CG1 3.32Å; K100-I104 PolarHBondContact O-N 2.87Å; S101-I104 WeakPolarHBondContact O-CB 3.01Å; S101-I104 PolarHBondContact O-N 3.37Å; S101-I104 VanDerWaalsContact O-N 3.17Å; A102-I104 VanDerWaalsContact C-N 3.26Å; A102-I104 PolarHBondContact O-N 3.31Å
105	S	93.5	Very high	95.1	Very high	95 Å²	95	62.1 Å²	62.1	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-96.4	-19	-173.5	57.7	0	0	0	0	114.4	A102	A102-S105 PolarHBondContact O-N 3.15Å; A102-S105 PolarHBondContact O-OG 2.97Å
106	T	93.6	Very high	94.9	Very high	52 Å²	52	66.1 Å²	66.1	32%	0.319	37%	0.366	S	S	.	.	S	Bend	trans	-144.1	139.8	-163.2	-52.9	0	0	0	0	111	A102 D110 L111	A102-T106 WeakPolarHBondContact O-CB 3.23Å; A102-T106 PolarHBondContact O-N 3.42Å; A102-T106 VanDerWaalsContact O-N 3.07Å; T106-D110 HydrophobicContact CG2-CB 3.6Å; T106-L111 HydrophobicContact CG2-CD2 3.69Å; T106-L111 HydrophobicContact CG2-CG 3.87Å
107	S	94.3	Very high	94.8	Very high	55 Å²	55	65.1 Å²	65.1	39%	0.385	36%	0.361	S	S	.	.			trans	-64	148.9	178.4	87.7	0	0	0	0	110.3	N109 D110 L111	S107-N109 PolarHBondContact O-N 3.23Å; S107-N109 VanDerWaalsContact O-N 3.12Å; S107-N109 PolarHBondContact OG-N 3.16Å; S107-D110 WeakPolarHBondContact CB-OD2 3.38Å; S107-D110 PolarHBondContact O-N 3.34Å; S107-D110 VanDerWaalsContact O-N 3.09Å; S107-D110 PolarHBondContact OG-N 2.86Å; S107-D110 PolarHBondContact OG-OD2 3.46Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å; S107-L111 PolarHBondContact O-N 2.93Å
108	V	93.3	Very high	94.7	Very high	43 Å²	43	59.5 Å²	59.5	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-29.6	178.7	176	0	0	0	0	111.6	A1 L4 K103 I112	A1-V108 HydrophobicContact CB-CG1 4.22Å; L4-V108 HydrophobicContact CD2-CG1 4.23Å; K103-V108 HydrophobicContact CG-CG2 4.32Å; V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG2 3.4Å; V108-I112 PolarHBondContact O-N 3.5Å
109	N	92.4	Very high	94.7	Very high	102 Å²	102	61.2 Å²	61.2	55%	0.545	34%	0.342	S	S	.	.	H	α-helix	trans	-70.2	-40.2	178.1	-69.5	-24.7	0	0	0	111.9	S107 I112 E113	S107-N109 PolarHBondContact O-N 3.23Å; S107-N109 VanDerWaalsContact O-N 3.12Å; S107-N109 PolarHBondContact OG-N 3.16Å; N109-I112 WeakPolarHBondContact O-CG1 3.4Å; N109-E113 PolarHBondContact O-N 2.96Å
110	D	93.6	Very high	94.8	Very high	95 Å²	95	64.4 Å²	64.4	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-72.3	-36.2	177.8	-52.7	-43.5	0	0	0	111.1	T106 S107 I112 E113 C114	T106-D110 HydrophobicContact CG2-CB 3.6Å; S107-D110 WeakPolarHBondContact CB-OD2 3.38Å; S107-D110 PolarHBondContact O-N 3.34Å; S107-D110 VanDerWaalsContact O-N 3.09Å; S107-D110 PolarHBondContact OG-N 2.86Å; S107-D110 PolarHBondContact OG-OD2 3.46Å; D110-I112 VanDerWaalsContact C-N 3.32Å; D110-I112 PolarHBondContact O-N 3.37Å; D110-E113 PolarHBondContact O-N 3.03Å; D110-C114 PolarHBondContact O-N 2.75Å; D110-C114 VanDerWaalsContact O-N 3.15Å
111	L	94	Very high	94.8	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-41.9	176.9	-70.9	-179.8	0	0	0	112.7	L4 A102 K103 T106 S107 E113 C114 F117	L4-L111 HydrophobicContact CD2-CD1 4.32Å; A102-L111 HydrophobicContact CB-CD1 3.83Å; A102-L111 HydrophobicContact CB-CD2 3.66Å; A102-L111 HydrophobicContact CB-CG 4.41Å; K103-L111 HydrophobicContact CG-CD1 3.99Å; T106-L111 HydrophobicContact CG2-CD2 3.69Å; T106-L111 HydrophobicContact CG2-CG 3.87Å; S107-L111 WeakPolarHBondContact O-CG 3.41Å; S107-L111 PolarHBondContact O-N 2.93Å; L111-E113 PolarHBondContact O-N 2.87Å; L111-C114 WeakPolarHBondContact O-CB 3.42Å; L111-C114 PolarHBondContact O-N 3.14Å; L111-C114 VanDerWaalsContact O-N 3.14Å; L111-F117 HydrophobicContact CB-CD1 4.23Å; L111-F117 HydrophobicContact CB-CE1 4.17Å; L111-F117 HydrophobicContact CD2-CD2 4.33Å; L111-F117 HydrophobicContact CD2-CG 4.36Å; L111-F117 WeakPolarHBondContact O-CD1 3.31Å
112	I	92.8	Very high	94.9	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-72.4	-16.5	178.5	58.1	174.9	0	0	0	112.4	V108 N109 D110 L219 R223	V108-I112 VanDerWaalsContact O-CG1 3.29Å; V108-I112 WeakPolarHBondContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG2 3.4Å; V108-I112 PolarHBondContact O-N 3.5Å; N109-I112 WeakPolarHBondContact O-CG1 3.4Å; D110-I112 VanDerWaalsContact C-N 3.32Å; D110-I112 PolarHBondContact O-N 3.37Å; I112-L219 HydrophobicContact CB-CD1 4.27Å; I112-L219 HydrophobicContact CB-CD2 3.91Å; I112-L219 HydrophobicContact CG2-CD2 3.76Å; I112-R223 WeakPolarHBondContact O-CD 3.26Å; I112-R223 PolarHBondContact O-NE 3.19Å; I112-R223 PolarHBondContact O-NH1 3.37Å
113	E	92.6	Very high	95	Very high	110 Å²	110	57 Å²	57	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-87.9	-10.3	170.6	-62.8	-61.1	157.1	0	0	112.3	N109 D110 L111 P115 R223	N109-E113 PolarHBondContact O-N 2.96Å; D110-E113 PolarHBondContact O-N 3.03Å; L111-E113 PolarHBondContact O-N 2.87Å; E113-P115 WeakPolarHBondContact O-CD 3.43Å; E113-R223 VanDerWaalsContact CG-NH1 3.28Å; E113-R223 VanDerWaalsContact N-NH1 3.12Å; E113-R223 IonicContact OE1-CZ 3.25Å; E113-R223 VanDerWaalsContact OE1-CZ 3.25Å; E113-R223 IonicContact OE1-NH1 2.63Å; E113-R223 PolarHBondContact OE1-NH1 2.91Å; E113-R223 IonicContact OE1-NH2 3.33Å; E113-R223 PolarHBondContact OE1-NH2 3.03Å; E113-R223 IonicContact OE2-CZ 3.82Å; E113-R223 IonicContact OE2-NH1 3Å; E113-R223 PolarHBondContact OE2-NH1 3.21Å
114	C	94.1	Very high	95.2	Very high	42 Å²	42	56.6 Å²	56.6	28%	0.284	32%	0.316	S	S	.	.			trans	-88.4	107.5	-172.3	-175.1	0	0	0	0	111.6	D110 L111 S116 F117 L118	D110-C114 PolarHBondContact O-N 2.75Å; D110-C114 VanDerWaalsContact O-N 3.15Å; L111-C114 WeakPolarHBondContact O-CB 3.42Å; L111-C114 PolarHBondContact O-N 3.14Å; L111-C114 VanDerWaalsContact O-N 3.14Å; C114-S116 PolarHBondContact O-N 2.93Å; C114-S116 PolarHBondContact SG-OG 2.89Å; C114-S116 VanDerWaalsContact SG-OG 3.37Å; C114-F117 HydrophobicContact CB-CB 3.96Å; C114-F117 PolarHBondContact O-N 3.11Å; C114-L118 WeakPolarHBondContact O-CG 3.34Å; C114-L118 PolarHBondContact O-N 3.5Å
115	P	95	Very high	95.4	Very high	62 Å²	62	49.9 Å²	49.9	40%	0.403	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-45.7	-176.2	-28.6	40.5	0	0	0	113.2	E113 F117 L118 F119 I225	E113-P115 WeakPolarHBondContact O-CD 3.43Å; P115-F117 VanDerWaalsContact C-N 3.32Å; P115-F117 PolarHBondContact O-N 2.82Å; P115-L118 PolarHBondContact O-N 2.69Å; P115-L118 VanDerWaalsContact O-N 3.14Å; P115-F119 HydrophobicContact CB-CD2 4.21Å; P115-F119 HydrophobicContact CB-CE2 4.22Å; P115-F119 WeakPolarHBondContact O-CD2 3.43Å; P115-F119 PolarHBondContact O-N 2.86Å; P115-I225 HydrophobicContact CB-CG2 3.72Å; P115-I225 HydrophobicContact CG-CD1 4.4Å; P115-I225 HydrophobicContact CG-CG1 4.3Å; P115-I225 HydrophobicContact CG-CG2 4.13Å
116	S	95.2	Very high	95.6	Very high	84 Å²	84	50 Å²	50	59%	0.587	27%	0.268	S	S	*	.	H	α-helix	trans	-61.6	-40.5	-177.1	54.2	0	0	0	0	112	C114 E120	C114-S116 PolarHBondContact O-N 2.93Å; C114-S116 PolarHBondContact SG-OG 2.89Å; C114-S116 VanDerWaalsContact SG-OG 3.37Å; S116-E120 VanDerWaalsContact O-CB 3.26Å; S116-E120 WeakPolarHBondContact O-CB 3.44Å; S116-E120 PolarHBondContact O-N 3.24Å
117	F	96.5	Very high	95.9	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-47.9	173.6	171.1	-100.2	0	0	0	111.7	L4 K98 I99 A102 L111 C114 P115 L121	L4-F117 HydrophobicContact CD1-CE1 4.16Å; L4-F117 HydrophobicContact CD1-CZ 4.19Å; L4-F117 HydrophobicContact CD2-CE1 4.45Å; L4-F117 HydrophobicContact CD2-CZ 4.42Å; K98-F117 HydrophobicContact CG-CD2 4.38Å; K98-F117 HydrophobicContact CG-CE2 4.07Å; I99-F117 HydrophobicContact CG1-CZ 4.32Å; A102-F117 HydrophobicContact CB-CD2 3.89Å; A102-F117 HydrophobicContact CB-CE2 3.49Å; A102-F117 VanDerWaalsContact CB-CE2 3.49Å; A102-F117 HydrophobicContact CB-CZ 4.33Å; L111-F117 HydrophobicContact CB-CD1 4.23Å; L111-F117 HydrophobicContact CB-CE1 4.17Å; L111-F117 HydrophobicContact CD2-CD2 4.33Å; L111-F117 HydrophobicContact CD2-CG 4.36Å; L111-F117 WeakPolarHBondContact O-CD1 3.31Å; C114-F117 HydrophobicContact CB-CB 3.96Å; C114-F117 PolarHBondContact O-N 3.11Å; P115-F117 VanDerWaalsContact C-N 3.32Å; P115-F117 PolarHBondContact O-N 2.82Å; F117-L121 HydrophobicContact CE1-CD2 4.22Å; F117-L121 HydrophobicContact CZ-CD2 4.07Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.49Å; F117-L121 PolarHBondContact O-N 2.93Å
118	L	96.5	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-43.9	-178	-65	-179.3	0	0	0	112.7	C114 P115 L121 F122 L216 L219 M220 I225	C114-L118 WeakPolarHBondContact O-CG 3.34Å; C114-L118 PolarHBondContact O-N 3.5Å; P115-L118 PolarHBondContact O-N 2.69Å; P115-L118 VanDerWaalsContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 3.13Å; L118-F122 VanDerWaalsContact O-CB 3.23Å; L118-F122 WeakPolarHBondContact O-CB 3.15Å; L118-F122 PolarHBondContact O-N 3.29Å; L118-L216 HydrophobicContact CD2-CD2 4.07Å; L118-L219 HydrophobicContact CD1-CD2 4.05Å; L118-L219 HydrophobicContact CD1-CG 4.35Å; L118-L219 HydrophobicContact CD2-CD2 3.69Å; L118-M220 HydrophobicContact CB-CE 4.4Å; L118-M220 HydrophobicContact CB-CG 3.94Å; L118-M220 HydrophobicContact CB-SD 4.1Å; L118-M220 HydrophobicContact CD1-CG 3.75Å; L118-M220 HydrophobicContact CG-CG 4.45Å; L118-I225 HydrophobicContact CD1-CD1 3.65Å
119	F	96.9	Very high	96.3	Very high	88 Å²	88	48.3 Å²	48.3	39%	0.386	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-42	177.1	-80.5	-66.5	0	0	0	112.3	P115 S123 M220 I225 L226	P115-F119 HydrophobicContact CB-CD2 4.21Å; P115-F119 HydrophobicContact CB-CE2 4.22Å; P115-F119 WeakPolarHBondContact O-CD2 3.43Å; P115-F119 PolarHBondContact O-N 2.86Å; F119-S123 WeakPolarHBondContact O-CB 3.42Å; F119-S123 PolarHBondContact O-N 3.41Å; F119-S123 PolarHBondContact O-OG 2.72Å; F119-M220 HydrophobicContact CD1-CE 3.33Å; F119-M220 HydrophobicContact CD2-CE 4.03Å; F119-M220 HydrophobicContact CE1-CE 3.21Å; F119-M220 HydrophobicContact CE2-CE 3.92Å; F119-M220 HydrophobicContact CG-CE 3.73Å; F119-M220 HydrophobicContact CZ-CE 3.51Å; F119-I225 HydrophobicContact CD2-CG2 4.34Å; F119-I225 HydrophobicContact CE2-CG2 3.59Å; F119-I225 HydrophobicContact CZ-CG2 4.06Å; F119-L226 HydrophobicContact CE1-CD2 3.71Å; F119-L226 HydrophobicContact CZ-CD2 3.88Å
120	E	97.5	Very high	96.6	Very high	66 Å²	66	45.9 Å²	45.9	31%	0.308	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-45.8	178.1	-173.4	-176.9	168	0	0	111.2	K98 S116 F122 S123 Y124	K98-E120 WeakPolarHBondContact CE-OE2 3.14Å; K98-E120 IonicContact NZ-OE1 3.06Å; K98-E120 PolarHBondContact NZ-OE1 2.91Å; K98-E120 IonicContact NZ-OE2 3.33Å; K98-E120 PolarHBondContact NZ-OE2 3.47Å; S116-E120 VanDerWaalsContact O-CB 3.26Å; S116-E120 WeakPolarHBondContact O-CB 3.44Å; S116-E120 PolarHBondContact O-N 3.24Å; E120-F122 PolarHBondContact O-N 2.96Å; E120-S123 WeakPolarHBondContact O-CB 3.34Å; E120-S123 PolarHBondContact O-N 2.8Å; E120-S123 VanDerWaalsContact O-N 3.16Å; E120-Y124 HydrophobicContact CG-CE2 3.82Å; E120-Y124 PolarHBondContact O-N 2.87Å; E120-Y124 PolarHBondContact OE1-OH 3.07Å
121	L	98.1	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-46.5	175.8	-179.6	59.7	0	0	0	111.1	L4 V7 I99 F117 L118 S123 Y124 I125 L216	L4-L121 HydrophobicContact CD1-CD2 4.06Å; V7-L121 HydrophobicContact CG1-CD2 4.29Å; I99-L121 HydrophobicContact CD1-CD1 4.02Å; I99-L121 HydrophobicContact CD1-CD2 3.94Å; I99-L121 HydrophobicContact CG1-CD1 3.89Å; I99-L121 HydrophobicContact CG1-CD2 3.8Å; F117-L121 HydrophobicContact CE1-CD2 4.22Å; F117-L121 HydrophobicContact CZ-CD2 4.07Å; F117-L121 VanDerWaalsContact O-CB 3.28Å; F117-L121 WeakPolarHBondContact O-CB 3.49Å; F117-L121 PolarHBondContact O-N 2.93Å; L118-L121 PolarHBondContact O-N 3.13Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.87Å; L121-Y124 PolarHBondContact O-N 3.4Å; L121-I125 HydrophobicContact CD1-CD1 4.33Å; L121-I125 HydrophobicContact CG-CD1 4.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.25Å; L121-I125 PolarHBondContact O-N 3.38Å; L121-I125 VanDerWaalsContact O-N 3.15Å; L121-L216 HydrophobicContact CB-CD1 4.42Å; L121-L216 HydrophobicContact CD2-CD1 4.05Å; L121-L216 HydrophobicContact CD2-CD2 3.96Å; L121-L216 HydrophobicContact CG-CD1 3.85Å
122	F	98	Very high	97.1	Very high	36 Å²	36	42 Å²	42	16%	0.158	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-40.3	175.8	-176.9	-94.3	0	0	0	111.9	L118 E120 I125 R126 M213 L216 M217	L118-F122 VanDerWaalsContact O-CB 3.23Å; L118-F122 WeakPolarHBondContact O-CB 3.15Å; L118-F122 PolarHBondContact O-N 3.29Å; E120-F122 PolarHBondContact O-N 2.96Å; F122-I125 PolarHBondContact O-N 3.41Å; F122-R126 WeakPolarHBondContact O-CB 3.26Å; F122-R126 PolarHBondContact O-N 3.47Å; F122-M213 HydrophobicContact CE1-CE 4.18Å; F122-M213 HydrophobicContact CE2-CB 3.88Å; F122-M213 HydrophobicContact CE2-CE 3.75Å; F122-M213 HydrophobicContact CE2-CG 4.1Å; F122-M213 HydrophobicContact CZ-CE 3.46Å; F122-M213 VanDerWaalsContact CZ-CE 3.46Å; F122-L216 HydrophobicContact CB-CD1 4.13Å; F122-L216 HydrophobicContact CD2-CB 4.1Å; F122-L216 HydrophobicContact CD2-CD1 4.36Å; F122-M217 HydrophobicContact CD2-CG 4.18Å; F122-M217 HydrophobicContact CE2-CE 4.49Å; F122-M217 HydrophobicContact CE2-CG 3.44Å; F122-M217 VanDerWaalsContact CE2-CG 3.44Å; F122-M217 HydrophobicContact CE2-SD 3.87Å; F122-M217 HydrophobicContact CZ-CG 3.96Å; F122-M217 HydrophobicContact CZ-SD 3.91Å
123	S	98.3	Very high	97.3	Very high	36 Å²	36	42.7 Å²	42.7	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-43.7	177.7	-59.8	0	0	0	0	111.9	F119 E120 L121 I125 R126 D127	F119-S123 WeakPolarHBondContact O-CB 3.42Å; F119-S123 PolarHBondContact O-N 3.41Å; F119-S123 PolarHBondContact O-OG 2.72Å; E120-S123 WeakPolarHBondContact O-CB 3.34Å; E120-S123 PolarHBondContact O-N 2.8Å; E120-S123 VanDerWaalsContact O-N 3.16Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 2.87Å; S123-I125 VanDerWaalsContact C-N 3.34Å; S123-I125 PolarHBondContact O-N 3.5Å; S123-R126 PolarHBondContact O-N 2.98Å; S123-D127 WeakPolarHBondContact O-CB 3.46Å; S123-D127 PolarHBondContact O-N 2.74Å
124	Y	98.6	Very high	97.4	Very high	59 Å²	59	43.2 Å²	43.2	23%	0.231	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-39.3	175.4	-65.3	-30.4	0	0	0	112.9	Y91 K94 S95 K98 E120 L121 A128	Y91-Y124 HydrophobicContact CD1-CD1 4.38Å; K94-Y124 HydrophobicContact CB-CD2 4.39Å; S95-Y124 WeakPolarHBondContact OG-CB 3.28Å; K98-Y124 HydrophobicContact CB-CD2 4.45Å; K98-Y124 HydrophobicContact CB-CE2 4.27Å; K98-Y124 HydrophobicContact CG-CE2 4.39Å; E120-Y124 HydrophobicContact CG-CE2 3.82Å; E120-Y124 PolarHBondContact O-N 2.87Å; E120-Y124 PolarHBondContact OE1-OH 3.07Å; L121-Y124 PolarHBondContact O-N 3.4Å; Y124-A128 PolarHBondContact O-N 3.31Å
125	I	98.7	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-41	178.9	-55.9	179.4	0	0	0	110.9	V7 L11 L121 F122 S123 A128 R129 L209 A212 M213 L216	V7-I125 HydrophobicContact CG1-CD1 3.91Å; L11-I125 HydrophobicContact CD1-CD1 4.21Å; L11-I125 HydrophobicContact CD2-CD1 4.07Å; L11-I125 HydrophobicContact CD2-CG1 3.96Å; L11-I125 HydrophobicContact CG-CD1 4.45Å; L121-I125 HydrophobicContact CD1-CD1 4.33Å; L121-I125 HydrophobicContact CG-CD1 4.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.25Å; L121-I125 PolarHBondContact O-N 3.38Å; L121-I125 VanDerWaalsContact O-N 3.15Å; F122-I125 PolarHBondContact O-N 3.41Å; S123-I125 VanDerWaalsContact C-N 3.34Å; S123-I125 PolarHBondContact O-N 3.5Å; I125-A128 WeakPolarHBondContact O-CB 3.34Å; I125-A128 PolarHBondContact O-N 3Å; I125-R129 PolarHBondContact O-N 3Å; I125-L209 HydrophobicContact CG2-CB 4.48Å; I125-L209 HydrophobicContact CG2-CD2 3.87Å; I125-A212 HydrophobicContact CD1-CB 4.01Å; I125-A212 HydrophobicContact CG2-CB 4.29Å; I125-M213 HydrophobicContact CB-CG 4.13Å; I125-M213 HydrophobicContact CG2-CG 3.48Å; I125-M213 VanDerWaalsContact CG2-CG 3.48Å; I125-M213 HydrophobicContact CG2-SD 4.27Å; I125-L216 HydrophobicContact CD1-CD1 3.66Å
126	R	98.5	Very high	97	Very high	99 Å²	99	44 Å²	44	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-48.6	172.9	-176.8	-163.3	66.2	-154.6	-7.6	110.8	F122 S123 A128 R129 D130 M213	F122-R126 WeakPolarHBondContact O-CB 3.26Å; F122-R126 PolarHBondContact O-N 3.47Å; S123-R126 PolarHBondContact O-N 2.98Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 2.76Å; R126-R129 WeakPolarHBondContact O-CB 3.43Å; R126-R129 PolarHBondContact O-N 2.83Å; R126-R129 VanDerWaalsContact O-N 3.1Å; R126-D130 PolarHBondContact O-N 3.09Å; R126-M213 HydrophobicContact CB-CE 3.91Å; R126-M213 HydrophobicContact CG-CE 4.13Å
127	D	98.6	Very high	96.6	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-35.4	-179.3	-64.9	-3.9	0	0	0	111.4	Y91 S123 D130 C131	Y91-D127 HydrophobicContact CD1-CB 3.69Å; Y91-D127 HydrophobicContact CD2-CB 4.25Å; Y91-D127 HydrophobicContact CE1-CB 3.47Å; Y91-D127 VanDerWaalsContact CE1-CB 3.47Å; Y91-D127 HydrophobicContact CE2-CB 4.09Å; Y91-D127 HydrophobicContact CG-CB 4.07Å; S123-D127 WeakPolarHBondContact O-CB 3.46Å; S123-D127 PolarHBondContact O-N 2.74Å; D127-D130 PolarHBondContact O-N 3.16Å; D127-C131 PolarHBondContact O-N 3.16Å; D127-C131 PolarHBondContact O-SG 2.61Å
128	A	98.7	Very high	96.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-46.4	170.8	0	0	0	0	0	112	C88 Y124 I125 R126 C131 L209	C88-A128 PolarHBondContact SG-O 3.2Å; C88-A128 VanDerWaalsContact SG-O 3.41Å; Y124-A128 PolarHBondContact O-N 3.31Å; I125-A128 WeakPolarHBondContact O-CB 3.34Å; I125-A128 PolarHBondContact O-N 3Å; R126-A128 VanDerWaalsContact C-N 3.3Å; R126-A128 PolarHBondContact O-N 2.76Å; A128-C131 WeakPolarHBondContact O-CB 3.37Å; A128-C131 PolarHBondContact O-N 3.43Å; A128-L209 HydrophobicContact CB-CD1 4.36Å; A128-L209 HydrophobicContact CB-CD2 4.07Å
129	R	98.6	Very high	96.1	Very high	73 Å²	73	58.2 Å²	58.2	28%	0.275	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-40.2	177.6	-175.7	-173.1	177.1	-76.3	-1.8	111.9	I125 R126 C131 L132 T133 L206 L209 D210 M213	I125-R129 PolarHBondContact O-N 3Å; R126-R129 WeakPolarHBondContact O-CB 3.43Å; R126-R129 PolarHBondContact O-N 2.83Å; R126-R129 VanDerWaalsContact O-N 3.1Å; R129-C131 VanDerWaalsContact C-N 3.29Å; R129-C131 PolarHBondContact O-N 3.38Å; R129-L132 PolarHBondContact O-N 3.06Å; R129-L132 VanDerWaalsContact O-N 3.16Å; R129-T133 HydrophobicContact CG-CG2 4.19Å; R129-T133 WeakPolarHBondContact O-CG2 3.49Å; R129-T133 PolarHBondContact O-N 3.07Å; R129-T133 PolarHBondContact O-OG1 2.86Å; R129-L206 HydrophobicContact CG-CD2 3.98Å; R129-L209 HydrophobicContact CB-CD1 4.08Å; R129-D210 WeakPolarHBondContact CD-OD1 3.3Å; R129-D210 IonicContact CZ-OD1 2.77Å; R129-D210 IonicContact NE-OD1 3.59Å; R129-D210 PolarHBondContact NE-OD1 2.84Å; R129-M213 HydrophobicContact CB-SD 4.39Å
130	D	98.4	Very high	95.8	Very high	51 Å²	51	55.6 Å²	55.6	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-32.4	179.3	-71.9	-14.1	0	0	0	111.7	R126 D127 L132 T133 Q134	R126-D130 PolarHBondContact O-N 3.09Å; D127-D130 PolarHBondContact O-N 3.16Å; D130-L132 PolarHBondContact O-N 2.94Å; D130-L132 VanDerWaalsContact O-N 3.16Å; D130-T133 WeakPolarHBondContact CA-OG1 3.38Å; D130-T133 PolarHBondContact O-N 3Å; D130-Q134 HydrophobicContact CB-CG 4.22Å; D130-Q134 WeakPolarHBondContact O-CB 3.32Å; D130-Q134 PolarHBondContact O-N 3.37Å
131	C	98.4	Very high	95.5	Very high	20 Å²	20	57 Å²	57	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-52.5	-38.9	171.7	-66.1	0	0	0	0	112.3	Q84 D87 C88 D127 A128 R129	Q84-C131 VanDerWaalsContact CB-O 3.25Å; Q84-C131 WeakPolarHBondContact CB-O 3.44Å; Q84-C131 WeakPolarHBondContact CG-O 3.44Å; Q84-C131 PolarHBondContact NE2-O 3.38Å; D87-C131 HydrophobicContact CB-CB 4.27Å; C88-C131 HydrophobicContact CB-CB 4.07Å; D127-C131 PolarHBondContact O-N 3.16Å; D127-C131 PolarHBondContact O-SG 2.61Å; A128-C131 WeakPolarHBondContact O-CB 3.37Å; A128-C131 PolarHBondContact O-N 3.43Å; R129-C131 VanDerWaalsContact C-N 3.29Å; R129-C131 PolarHBondContact O-N 3.38Å
132	L	98.4	Very high	95.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-89.8	-33.2	-178.8	-56.8	-177	0	0	0	112.6	I85 C88 R129 D130 I166 R167 G168 L202 T205 L206	I85-L132 HydrophobicContact CG1-CD2 4.39Å; C88-L132 HydrophobicContact CB-CD1 4.41Å; C88-L132 HydrophobicContact CB-CD2 3.97Å; C88-L132 HydrophobicContact CB-CG 4.03Å; R129-L132 PolarHBondContact O-N 3.06Å; R129-L132 VanDerWaalsContact O-N 3.16Å; D130-L132 PolarHBondContact O-N 2.94Å; D130-L132 VanDerWaalsContact O-N 3.16Å; L132-I166 HydrophobicContact CB-CG2 4.27Å; L132-I166 HydrophobicContact CD2-CG2 4.19Å; L132-R167 CarbonylContact O-C 3.51Å; L132-R167 WeakPolarHBondContact O-CA 3.39Å; L132-G168 PolarHBondContact O-N 3.5Å; L132-L202 HydrophobicContact CD1-CD2 4.33Å; L132-T205 HydrophobicContact CD1-CG2 4.02Å; L132-L206 HydrophobicContact CB-CD2 4.24Å; L132-L206 HydrophobicContact CD1-CD2 4.16Å; L132-L206 HydrophobicContact CD1-CG 4.36Å
133	T	97.9	Very high	95	Very high	23 Å²	23	60.8 Å²	60.8	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-94	-20.8	-171.6	58.7	0	0	0	0	114.3	R129 D130 P135 L206	R129-T133 HydrophobicContact CG-CG2 4.19Å; R129-T133 WeakPolarHBondContact O-CG2 3.49Å; R129-T133 PolarHBondContact O-N 3.07Å; R129-T133 PolarHBondContact O-OG1 2.86Å; D130-T133 WeakPolarHBondContact CA-OG1 3.38Å; D130-T133 PolarHBondContact O-N 3Å; T133-P135 WeakPolarHBondContact O-CD 3.49Å; T133-L206 HydrophobicContact CG2-CD1 4.46Å; T133-L206 HydrophobicContact CG2-CD2 3.84Å
134	Q	95.1	Very high	94.6	Very high	121 Å²	121	60.9 Å²	60.9	57%	0.565	29%	0.287	S	S	*	.	S	Bend	trans	-115.2	89.2	-179.4	-57.7	-57.8	-35.1	0	0	110.5	D130	D130-Q134 HydrophobicContact CB-CG 4.22Å; D130-Q134 WeakPolarHBondContact O-CB 3.32Å; D130-Q134 PolarHBondContact O-N 3.37Å
135	P	91	Very high	94.3	Very high	39 Å²	39	63.3 Å²	63.3	25%	0.253	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-55.7	138.7	177.3	-22.6	30.3	0	0	0	111.9	T133 R137 F165 R167	T133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-R137 PolarHBondContact O-N 3.1Å; P135-F165 HydrophobicContact CB-CD2 3.61Å; P135-F165 HydrophobicContact CB-CE2 3.88Å; P135-F165 HydrophobicContact CB-CG 4.46Å; P135-F165 HydrophobicContact CG-CD2 3.78Å; P135-F165 HydrophobicContact CG-CE2 3.81Å; P135-R167 HydrophobicContact CG-CB 4.03Å; P135-R167 HydrophobicContact CG-CG 4.01Å
136	P	88.5	Confident	93.9	Very high	81 Å²	81	64.8 Å²	64.8	53%	0.526	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-56.8	129.5	174.7	-23.9	32.7	0	0	0	111.1	K138	P136-K138 PolarHBondContact O-N 2.84Å
137	R	88	Confident	93.6	Very high	242 Å²	242	64.6 Å²	64.6	91%	0.913	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-79.4	116.5	172.1	-64.7	-176.2	-177.5	176.9	1.5	108	P135	P135-R137 PolarHBondContact O-N 3.1Å
138	K	90.4	Very high	93.3	Very high	80 Å²	80	64.2 Å²	64.2	35%	0.348	33%	0.328	S	S	.	.			trans	-114.7	137	174.9	-72.5	177.7	-177.7	169.4	0	110.7	P136 E142 H143 N146	P136-K138 PolarHBondContact O-N 2.84Å; K138-E142 WeakPolarHBondContact CA-OE2 3.5Å; K138-E142 HydrophobicContact CB-CB 4.19Å; K138-E142 HydrophobicContact CG-CB 4.45Å; K138-H143 WeakPolarHBondContact CB-NE2 3.43Å; K138-N146 PolarHBondContact NZ-ND2 3.07Å
139	T	92.3	Very high	93	Very high	69 Å²	69	67.2 Å²	67.2	42%	0.423	34%	0.339	S	S	.	.			trans	-72	168.2	168.6	83.3	0	0	0	0	110.5	E141 E142 H143	T139-E141 VanDerWaalsContact C-N 3.25Å; T139-E141 VanDerWaalsContact CB-OE2 3.27Å; T139-E141 WeakPolarHBondContact CB-OE2 3.05Å; T139-E141 PolarHBondContact O-N 3Å; T139-E141 PolarHBondContact OG1-N 3.12Å; T139-E141 PolarHBondContact OG1-OE2 2.87Å; T139-E142 PolarHBondContact N-OE2 3.18Å; T139-E142 PolarHBondContact O-N 3.03Å; T139-E142 PolarHBondContact OG1-N 2.76Å; T139-H143 PolarHBondContact O-CD2 2.85Å; T139-H143 PolarHBondContact O-N 3.2Å
140	I	90.7	Very high	92.7	Very high	33 Å²	33	73.7 Å²	73.7	17%	0.169	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-39.9	176.6	-61.2	165.6	0	0	0	109.8	H143 L144 L178 W187 V189	I140-H143 WeakPolarHBondContact O-CB 3.49Å; I140-H143 PolarHBondContact O-N 3.38Å; I140-L144 HydrophobicContact CG2-CD1 3.93Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 WeakPolarHBondContact O-CB 3.44Å; I140-L144 VanDerWaalsContact O-CG 3.25Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.26Å; I140-L178 HydrophobicContact CD1-CD2 4.45Å; I140-L178 HydrophobicContact CG2-CD1 3.75Å; I140-L178 HydrophobicContact CG2-CD2 4.17Å; I140-W187 WeakPolarHBondContact CD1-O 3.21Å; I140-W187 HydrophobicContact CG2-CB 3.72Å; I140-V189 HydrophobicContact CD1-CG2 3.81Å; I140-V189 HydrophobicContact CG1-CG2 4.07Å
141	E	90.6	Very high	92.6	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-43.5	178.7	-60.1	70.7	-153.3	0	0	111.6	T139 H143 L144 T145	T139-E141 VanDerWaalsContact C-N 3.25Å; T139-E141 VanDerWaalsContact CB-OE2 3.27Å; T139-E141 WeakPolarHBondContact CB-OE2 3.05Å; T139-E141 PolarHBondContact O-N 3Å; T139-E141 PolarHBondContact OG1-N 3.12Å; T139-E141 PolarHBondContact OG1-OE2 2.87Å; E141-H143 VanDerWaalsContact C-N 3.29Å; E141-H143 PolarHBondContact O-N 2.81Å; E141-L144 PolarHBondContact O-N 2.83Å; E141-T145 WeakPolarHBondContact O-CB 3.19Å; E141-T145 WeakPolarHBondContact O-CG2 3.45Å; E141-T145 PolarHBondContact O-N 3.46Å; E141-T145 PolarHBondContact O-OG1 3.48Å
142	E	93.5	Very high	92.4	Very high	93 Å²	93	71 Å²	71	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-64.4	-36.1	174.9	-69.8	176.6	141.3	0	0	111.6	K138 T139 T145 N146	K138-E142 WeakPolarHBondContact CA-OE2 3.5Å; K138-E142 HydrophobicContact CB-CB 4.19Å; K138-E142 HydrophobicContact CG-CB 4.45Å; T139-E142 PolarHBondContact N-OE2 3.18Å; T139-E142 PolarHBondContact O-N 3.03Å; T139-E142 PolarHBondContact OG1-N 2.76Å; E142-T145 PolarHBondContact O-OG1 2.88Å; E142-N146 WeakPolarHBondContact O-CB 3.41Å; E142-N146 PolarHBondContact O-N 2.96Å; E142-N146 VanDerWaalsContact O-N 3.08Å
143	H	92	Very high	92.3	Very high	23 Å²	23	76.3 Å²	76.3	11%	0.106	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-48.2	171.5	-83.9	-66	0	0	0	111.8	K138 T139 I140 E141 T145 N146 R149 V161	K138-H143 WeakPolarHBondContact CB-NE2 3.43Å; T139-H143 PolarHBondContact O-CD2 2.85Å; T139-H143 PolarHBondContact O-N 3.2Å; I140-H143 WeakPolarHBondContact O-CB 3.49Å; I140-H143 PolarHBondContact O-N 3.38Å; E141-H143 VanDerWaalsContact C-N 3.29Å; E141-H143 PolarHBondContact O-N 2.81Å; H143-T145 VanDerWaalsContact C-N 3.26Å; H143-T145 PolarHBondContact O-N 2.96Å; H143-N146 VanDerWaalsContact O-CB 3.29Å; H143-N146 WeakPolarHBondContact O-CB 3.26Å; H143-N146 PolarHBondContact O-N 2.8Å; H143-N146 VanDerWaalsContact O-N 3.12Å; H143-R149 WeakPolarHBondContact O-CD 3.22Å; H143-V161 HydrophobicContact CB-CB 4.43Å; H143-V161 HydrophobicContact CB-CG1 3.59Å; H143-V161 HydrophobicContact CB-CG2 3.95Å
144	L	89.4	Confident	92.2	Very high	38 Å²	38	77.9 Å²	77.9	20%	0.199	38%	0.379	C	S	.	.	H	α-helix	trans	-63.4	-31.1	-177.4	-72.2	174.1	0	0	0	113.1	I140 E141 R149 V161 L178 W187	I140-L144 HydrophobicContact CG2-CD1 3.93Å; I140-L144 HydrophobicContact CG2-CG 4.21Å; I140-L144 WeakPolarHBondContact O-CB 3.44Å; I140-L144 VanDerWaalsContact O-CG 3.25Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.26Å; E141-L144 PolarHBondContact O-N 2.83Å; L144-R149 WeakPolarHBondContact O-CD 3.25Å; L144-R149 PolarHBondContact O-NH1 2.87Å; L144-V161 HydrophobicContact CD2-CG2 4.01Å; L144-V161 HydrophobicContact CG-CG2 4.45Å; L144-L178 HydrophobicContact CD2-CD1 4.26Å; L144-W187 HydrophobicContact CD1-CG 4.08Å
145	T	91.8	Very high	92.1	Very high	110 Å²	110	77 Å²	77	68%	0.675	38%	0.384	S	S	*	.	H	α-helix	trans	-92.9	-4.9	177.4	56	0	0	0	0	113.7	E141 E142 H143 P147	E141-T145 WeakPolarHBondContact O-CB 3.19Å; E141-T145 WeakPolarHBondContact O-CG2 3.45Å; E141-T145 PolarHBondContact O-N 3.46Å; E141-T145 PolarHBondContact O-OG1 3.48Å; E142-T145 PolarHBondContact O-OG1 2.88Å; H143-T145 VanDerWaalsContact C-N 3.26Å; H143-T145 PolarHBondContact O-N 2.96Å; T145-P147 WeakPolarHBondContact O-CD 3.43Å
146	N	91.7	Very high	92.2	Very high	31 Å²	31	75.7 Å²	75.7	17%	0.166	38%	0.375	C	S	.	.			trans	-64	126.5	-176.7	-159.7	-67.7	0	0	0	111.9	K138 E142 H143 S148 R149	K138-N146 PolarHBondContact NZ-ND2 3.07Å; E142-N146 WeakPolarHBondContact O-CB 3.41Å; E142-N146 PolarHBondContact O-N 2.96Å; E142-N146 VanDerWaalsContact O-N 3.08Å; H143-N146 VanDerWaalsContact O-CB 3.29Å; H143-N146 WeakPolarHBondContact O-CB 3.26Å; H143-N146 PolarHBondContact O-N 2.8Å; H143-N146 VanDerWaalsContact O-N 3.12Å; N146-S148 PolarHBondContact O-N 2.59Å; N146-S148 VanDerWaalsContact O-N 3.1Å; N146-S148 WeakPolarHBondContact OD1-CB 3.28Å; N146-S148 PolarHBondContact OD1-N 2.77Å; N146-S148 PolarHBondContact OD1-OG 3.5Å; N146-R149 WeakPolarHBondContact O-CB 3.2Å; N146-R149 WeakPolarHBondContact O-CG 3.29Å; N146-R149 PolarHBondContact O-N 3.37Å
147	P	92.1	Very high	92.5	Very high	95 Å²	95	73.5 Å²	73.5	62%	0.617	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.6	177.2	-27	35.4	0	0	0	113.9	T145 R149 R150	T145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-R149 PolarHBondContact O-N 2.81Å; P147-R149 VanDerWaalsContact O-N 3.07Å; P147-R150 WeakPolarHBondContact O-CB 3.46Å; P147-R150 WeakPolarHBondContact O-CG 3.22Å; P147-R150 PolarHBondContact O-N 2.96Å
148	S	92.6	Very high	92.6	Very high	31 Å²	31	69.6 Å²	69.6	22%	0.217	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-62.3	-16.1	179	-42.6	0	0	0	0	113.1	N146 R150 C151 F152	N146-S148 PolarHBondContact O-N 2.59Å; N146-S148 VanDerWaalsContact O-N 3.1Å; N146-S148 WeakPolarHBondContact OD1-CB 3.28Å; N146-S148 PolarHBondContact OD1-N 2.77Å; N146-S148 PolarHBondContact OD1-OG 3.5Å; S148-R150 PolarHBondContact O-N 3.15Å; S148-R150 VanDerWaalsContact O-N 3.15Å; S148-C151 VanDerWaalsContact O-CB 3.25Å; S148-C151 WeakPolarHBondContact O-CB 3.44Å; S148-C151 PolarHBondContact O-N 3.01Å; S148-C151 PolarHBondContact O-SG 2.91Å; S148-F152 WeakPolarHBondContact O-CD2 3.12Å; S148-F152 VanDerWaalsContact O-CE2 3.26Å; S148-F152 WeakPolarHBondContact O-CE2 3.21Å
149	R	92.5	Very high	92.7	Very high	63 Å²	63	66.8 Å²	66.8	24%	0.238	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.2	171.1	-69.1	-173.1	70.6	-136.2	0.4	112.9	H143 L144 N146 P147 C151 I156	H143-R149 WeakPolarHBondContact O-CD 3.22Å; L144-R149 WeakPolarHBondContact O-CD 3.25Å; L144-R149 PolarHBondContact O-NH1 2.87Å; N146-R149 WeakPolarHBondContact O-CB 3.2Å; N146-R149 WeakPolarHBondContact O-CG 3.29Å; N146-R149 PolarHBondContact O-N 3.37Å; P147-R149 PolarHBondContact O-N 2.81Å; P147-R149 VanDerWaalsContact O-N 3.07Å; R149-C151 VanDerWaalsContact C-N 3.28Å; R149-I156 PolarHBondContact NH2-O 3.47Å
150	R	91.9	Very high	92.8	Very high	209 Å²	209	63.5 Å²	63.5	79%	0.789	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-78.2	-9.5	176.5	-59.3	179.9	-174.5	177.5	2	113.5	P147 S148 F152	P147-R150 WeakPolarHBondContact O-CB 3.46Å; P147-R150 WeakPolarHBondContact O-CG 3.22Å; P147-R150 PolarHBondContact O-N 2.96Å; S148-R150 PolarHBondContact O-N 3.15Å; S148-R150 VanDerWaalsContact O-N 3.15Å; R150-F152 PolarHBondContact O-N 3.19Å
151	C	95.3	Very high	93	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.061	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-69.2	-24.5	174.2	-60.1	0	0	0	0	112.2	I72 S78 Y80 S148 R149	I72-C151 HydrophobicContact CD1-CB 4.35Å; I72-C151 HydrophobicContact CG1-CB 4.32Å; S78-C151 WeakPolarHBondContact O-CA 3.46Å; S78-C151 VanDerWaalsContact O-CB 3.31Å; S78-C151 WeakPolarHBondContact O-CB 3.46Å; S78-C151 PolarHBondContact O-SG 3.25Å; Y80-C151 HydrophobicContact CD2-CB 4.41Å; S148-C151 VanDerWaalsContact O-CB 3.25Å; S148-C151 WeakPolarHBondContact O-CB 3.44Å; S148-C151 PolarHBondContact O-N 3.01Å; S148-C151 PolarHBondContact O-SG 2.91Å; R149-C151 VanDerWaalsContact C-N 3.28Å
152	F	95.5	Very high	93.2	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.026	29%	0.293	C	S	.	.	S	Bend	trans	-95.2	131.5	-168.5	-59.5	-86.3	0	0	0	111.7	L57 S70 I72 Y80 S148 R150 I156 L162 M164	L57-F152 HydrophobicContact CD1-CD1 3.69Å; L57-F152 HydrophobicContact CD1-CE1 3.47Å; L57-F152 VanDerWaalsContact CD1-CE1 3.47Å; S70-F152 WeakPolarHBondContact OG-CB 3.34Å; I72-F152 HydrophobicContact CD1-CD1 4.26Å; I72-F152 HydrophobicContact CD1-CE1 3.99Å; I72-F152 HydrophobicContact CD1-CZ 4.5Å; I72-F152 HydrophobicContact CG1-CD1 4.15Å; I72-F152 HydrophobicContact CG1-CE1 4.38Å; Y80-F152 AromaticContact CD2-CE2 3.97Å; Y80-F152 HydrophobicContact CD2-CE2 3.97Å; Y80-F152 AromaticContact CD2-CZ 3.85Å; Y80-F152 HydrophobicContact CD2-CZ 3.85Å; Y80-F152 HydrophobicContact CE2-CE2 4.05Å; Y80-F152 AromaticContact CE2-CZ 3.95Å; Y80-F152 HydrophobicContact CE2-CZ 3.95Å; S148-F152 WeakPolarHBondContact O-CD2 3.12Å; S148-F152 VanDerWaalsContact O-CE2 3.26Å; S148-F152 WeakPolarHBondContact O-CE2 3.21Å; R150-F152 PolarHBondContact O-N 3.19Å; F152-I156 HydrophobicContact CB-CD1 3.9Å; F152-I156 HydrophobicContact CB-CG1 3.72Å; F152-I156 HydrophobicContact CD1-CD1 4.33Å; F152-I156 HydrophobicContact CD2-CD1 3.4Å; F152-I156 HydrophobicContact CD2-CG1 4.2Å; F152-I156 HydrophobicContact CE2-CD1 3.9Å; F152-I156 HydrophobicContact CG-CD1 3.62Å; F152-I156 HydrophobicContact CG-CG1 4.02Å; F152-L162 HydrophobicContact CD1-CD1 3.94Å; F152-L162 HydrophobicContact CE1-CB 4.04Å; F152-L162 HydrophobicContact CE1-CD1 4.03Å; F152-L162 HydrophobicContact CE2-CB 4.5Å; F152-L162 HydrophobicContact CZ-CB 3.97Å; F152-M164 HydrophobicContact CE1-CE 4.03Å; F152-M164 HydrophobicContact CZ-CE 3.94Å
153	Y	95.9	Very high	93.3	Very high	111 Å²	111	53.8 Å²	53.8	44%	0.435	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-126.7	133.8	176.4	-176	-91.9	0	0	0	111.5	S70 I71 H76	S70-Y153 CarbonylContact C-O 3.5Å; S70-Y153 VanDerWaalsContact CA-O 3.3Å; S70-Y153 WeakPolarHBondContact CA-O 3.47Å; S70-Y153 PolarHBondContact OG-N 3.07Å; S70-Y153 PolarHBondContact OG-O 2.92Å; I71-Y153 HydrophobicContact CD1-CD1 4.43Å; I71-Y153 HydrophobicContact CG1-CD1 4.33Å; I71-Y153 WeakPolarHBondContact CG1-O 3.46Å; I71-Y153 PolarHBondContact N-O 2.86Å; I71-Y153 PolarHBondContact O-N 2.91Å; H76-Y153 HydrophobicContact CB-CD2 4.47Å; H76-Y153 HydrophobicContact CB-CG 4.02Å; H76-Y153 AromaticContact CE1-CD1 3.79Å; H76-Y153 AromaticContact CE1-CE1 3.64Å; H76-Y153 AromaticContact CG-CG 3.96Å; H76-Y153 AromaticContact ND1-CD1 3.27Å; H76-Y153 VanDerWaalsContact ND1-CD1 3.27Å; H76-Y153 WeakPolarHBondContact ND1-CD1 3.33Å; H76-Y153 AromaticContact ND1-CD2 3.66Å; H76-Y153 AromaticContact ND1-CE1 3.47Å; H76-Y153 WeakPolarHBondContact ND1-CE1 3.21Å; H76-Y153 AromaticContact ND1-CE2 3.84Å; H76-Y153 AromaticContact ND1-CG 3.37Å; H76-Y153 AromaticContact ND1-CZ 3.76Å
154	P	94.9	Very high	93.5	Very high	56 Å²	56	52.9 Å²	52.9	36%	0.364	27%	0.27	S	S	.	.	S	Bend	cis	-62.2	164.9	-7.8	30	-36.6	0	0	0	111.2	Y68 I156	Y68-P154 HydrophobicContact CE2-CG 4.11Å; Y68-P154 PolarHBondContact OH-O 3.11Å; P154-I156 PolarHBondContact O-N 2.84Å
155	P	93.5	Very high	93.9	Very high	102 Å²	102	52.3 Å²	52.3	66%	0.662	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-52.5	140	179.3	-27.6	35.3	0	0	0	113	Y68 P157	Y68-P155 PolarHBondContact OH-O 2.83Å; P155-P157 WeakPolarHBondContact O-CD 3.37Å
156	I	93.8	Very high	94.2	Very high	13 Å²	13	47 Å²	47	7%	0.067	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.9	127.6	-176.8	-53.9	171.1	0	0	0	110.4	Y68 R149 F152 P154 I160 L162	Y68-I156 HydrophobicContact CE1-CG1 4.4Å; Y68-I156 HydrophobicContact CE1-CG2 4.36Å; Y68-I156 WeakPolarHBondContact OH-CA 3.31Å; Y68-I156 PolarHBondContact OH-N 2.8Å; R149-I156 PolarHBondContact NH2-O 3.47Å; F152-I156 HydrophobicContact CB-CD1 3.9Å; F152-I156 HydrophobicContact CB-CG1 3.72Å; F152-I156 HydrophobicContact CD1-CD1 4.33Å; F152-I156 HydrophobicContact CD2-CD1 3.4Å; F152-I156 HydrophobicContact CD2-CG1 4.2Å; F152-I156 HydrophobicContact CE2-CD1 3.9Å; F152-I156 HydrophobicContact CG-CD1 3.62Å; F152-I156 HydrophobicContact CG-CG1 4.02Å; P154-I156 PolarHBondContact O-N 2.84Å; I156-I160 HydrophobicContact CG2-CB 4.17Å; I156-I160 VanDerWaalsContact CG2-O 3.26Å; I156-I160 WeakPolarHBondContact CG2-O 3.35Å; I156-L162 HydrophobicContact CD1-CB 3.88Å; I156-L162 HydrophobicContact CD1-CD1 4.03Å; I156-L162 HydrophobicContact CD1-CG 3.9Å; I156-L162 HydrophobicContact CG1-CD1 4.28Å; I156-L162 HydrophobicContact CG1-CG 4.46Å; I156-L162 HydrophobicContact CG2-CG 4.47Å
157	P	93.2	Very high	94.4	Very high	35 Å²	35	50.3 Å²	50.3	23%	0.227	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-53.7	159.5	169.3	-27.5	36.6	0	0	0	113.3	Y68 P155 D159 I160	Y68-P157 HydrophobicContact CD2-CG 4.05Å; Y68-P157 VanDerWaalsContact CE2-CD 3.45Å; Y68-P157 HydrophobicContact CE2-CG 4Å; P155-P157 WeakPolarHBondContact O-CD 3.37Å; P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 WeakPolarHBondContact CB-OD1 3.47Å; P157-D159 PolarHBondContact O-N 2.91Å; P157-I160 PolarHBondContact O-N 2.86Å
158	K	90.9	Very high	94.7	Very high	159 Å²	159	46.6 Å²	46.6	69%	0.691	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.7	-178.3	-67.2	-175.3	179.6	179.8	0	113.6	I160 W187	K158-I160 VanDerWaalsContact C-N 3.26Å; K158-I160 PolarHBondContact O-N 3.39Å; K158-W187 HydrophobicContact CB-CH2 4.01Å; K158-W187 HydrophobicContact CB-CZ2 3.88Å
159	D	92.8	Very high	94.9	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.112	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.3	-178.4	63.9	-50.4	0	0	0	113.5	R61 P157 L178 W187	R61-D159 IonicContact CZ-OD1 3.75Å; R61-D159 IonicContact CZ-OD2 3.87Å; R61-D159 IonicContact NE-OD1 2.61Å; R61-D159 IonicContact NE-OD2 2.92Å; R61-D159 PolarHBondContact NE-OD2 2.64Å; R61-D159 IonicContact NH2-OD1 3.39Å; R61-D159 PolarHBondContact NH2-OD1 2.97Å; R61-D159 IonicContact NH2-OD2 2.93Å; R61-D159 PolarHBondContact NH2-OD2 3.29Å; P157-D159 VanDerWaalsContact C-N 3.29Å; P157-D159 WeakPolarHBondContact CB-OD1 3.47Å; P157-D159 PolarHBondContact O-N 2.91Å; D159-L178 PolarHBondContact O-N 3.29Å; D159-W187 HydrophobicContact CB-CZ3 4.49Å
160	I	94.3	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.1	177.5	-47.5	169.1	0	0	0	109.9	V59 R61 Y68 I156 P157 K158 L162 Y176	V59-I160 HydrophobicContact CG1-CG2 4.38Å; R61-I160 HydrophobicContact CG-CD1 3.45Å; R61-I160 VanDerWaalsContact CG-CD1 3.45Å; R61-I160 HydrophobicContact CG-CG1 4.27Å; Y68-I160 HydrophobicContact CD1-CD1 3.97Å; Y68-I160 HydrophobicContact CG-CD1 3.97Å; I156-I160 HydrophobicContact CG2-CB 4.17Å; I156-I160 VanDerWaalsContact CG2-O 3.26Å; I156-I160 WeakPolarHBondContact CG2-O 3.35Å; P157-I160 PolarHBondContact O-N 2.86Å; K158-I160 VanDerWaalsContact C-N 3.26Å; K158-I160 PolarHBondContact O-N 3.39Å; I160-L162 HydrophobicContact CG2-CD2 3.71Å; I160-L162 HydrophobicContact CG2-CG 4.36Å; I160-Y176 CarbonylContact C-O 3.58Å; I160-Y176 VanDerWaalsContact CA-O 3.3Å; I160-Y176 WeakPolarHBondContact CA-O 3.4Å
161	V	95.2	Very high	95.4	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.8	162.8	162.1	0	0	0	0	109	H143 L144 A175 Y176 L178	H143-V161 HydrophobicContact CB-CB 4.43Å; H143-V161 HydrophobicContact CB-CG1 3.59Å; H143-V161 HydrophobicContact CB-CG2 3.95Å; L144-V161 HydrophobicContact CD2-CG2 4.01Å; L144-V161 HydrophobicContact CG-CG2 4.45Å; V161-A175 CarbonylContact O-C 3.58Å; V161-A175 WeakPolarHBondContact O-CA 3.19Å; V161-Y176 HydrophobicContact CB-CD2 4.3Å; V161-Y176 HydrophobicContact CG1-CD2 3.96Å; V161-Y176 PolarHBondContact N-O 2.88Å; V161-Y176 PolarHBondContact O-N 3.07Å; V161-L178 HydrophobicContact CG2-CD1 3.78Å
162	L	95.4	Very high	95.4	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.9	170.1	-56.1	-172.1	0	0	0	109.2	L57 V59 Y68 F152 I156 I160 F173 A175	L57-L162 HydrophobicContact CD1-CD1 4.22Å; V59-L162 HydrophobicContact CG2-CD2 3.78Å; Y68-L162 HydrophobicContact CE1-CD1 3.99Å; F152-L162 HydrophobicContact CD1-CD1 3.94Å; F152-L162 HydrophobicContact CE1-CB 4.04Å; F152-L162 HydrophobicContact CE1-CD1 4.03Å; F152-L162 HydrophobicContact CE2-CB 4.5Å; F152-L162 HydrophobicContact CZ-CB 3.97Å; I156-L162 HydrophobicContact CD1-CB 3.88Å; I156-L162 HydrophobicContact CD1-CD1 4.03Å; I156-L162 HydrophobicContact CD1-CG 3.9Å; I156-L162 HydrophobicContact CG1-CD1 4.28Å; I156-L162 HydrophobicContact CG1-CG 4.46Å; I156-L162 HydrophobicContact CG2-CG 4.47Å; I160-L162 HydrophobicContact CG2-CD2 3.71Å; I160-L162 HydrophobicContact CG2-CG 4.36Å; L162-F173 HydrophobicContact CB-CE2 4.21Å; L162-F173 HydrophobicContact CD1-CE2 4.45Å; L162-F173 HydrophobicContact CD1-CZ 4.45Å; L162-F173 HydrophobicContact CD2-CE2 4.23Å; L162-F173 HydrophobicContact CD2-CZ 4.02Å; L162-A175 HydrophobicContact CD2-CB 3.77Å
163	S	95.2	Very high	95.4	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.3	178.8	-173.7	0	0	0	0	110.4	A174	S163-A174 PolarHBondContact N-O 2.91Å; S163-A174 PolarHBondContact O-N 2.94Å
164	M	96.1	Very high	95.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.02	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.1	168.7	-67.3	175.2	-75.2	0	0	109.4	L45 V52 I72 Y80 L82 F152 L171 V172 F173	L45-M164 HydrophobicContact CD1-SD 4.49Å; L45-M164 HydrophobicContact CD2-SD 3.9Å; V52-M164 HydrophobicContact CB-CE 4.45Å; V52-M164 HydrophobicContact CB-SD 4.43Å; V52-M164 HydrophobicContact CG1-CE 4.42Å; V52-M164 HydrophobicContact CG1-SD 4.16Å; V52-M164 HydrophobicContact CG2-CE 4.46Å; V52-M164 HydrophobicContact CG2-SD 4.04Å; I72-M164 HydrophobicContact CD1-CE 3.38Å; Y80-M164 HydrophobicContact CD1-CB 4.14Å; Y80-M164 HydrophobicContact CD1-CE 3.86Å; Y80-M164 HydrophobicContact CD2-CE 3.52Å; Y80-M164 HydrophobicContact CE1-CB 3.76Å; Y80-M164 HydrophobicContact CE1-CE 4.4Å; Y80-M164 WeakPolarHBondContact CE1-O 3.22Å; Y80-M164 HydrophobicContact CE2-CE 4.07Å; Y80-M164 HydrophobicContact CG-CE 3.4Å; Y80-M164 PolarHBondContact OH-N 2.79Å; Y80-M164 VanDerWaalsContact OH-N 3.15Å; Y80-M164 PolarHBondContact OH-O 3.12Å; L82-M164 HydrophobicContact CD2-CB 4.4Å; F152-M164 HydrophobicContact CE1-CE 4.03Å; F152-M164 HydrophobicContact CZ-CE 3.94Å; M164-L171 HydrophobicContact CB-CD1 4.3Å; M164-V172 VanDerWaalsContact CA-O 3.28Å; M164-V172 WeakPolarHBondContact CA-O 3.43Å; M164-F173 HydrophobicContact CG-CB 4.44Å; M164-F173 HydrophobicContact CG-CD2 3.85Å
165	F	96.8	Very high	95.3	Very high	25 Å²	25	25.5 Å²	25.5	11%	0.11	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	160.7	-177.3	61.4	-88.9	0	0	0	111.4	P135 R167 V172 A174	P135-F165 HydrophobicContact CB-CD2 3.61Å; P135-F165 HydrophobicContact CB-CE2 3.88Å; P135-F165 HydrophobicContact CB-CG 4.46Å; P135-F165 HydrophobicContact CG-CD2 3.78Å; P135-F165 HydrophobicContact CG-CE2 3.81Å; F165-R167 HydrophobicContact CE2-CB 4.37Å; F165-V172 HydrophobicContact CD1-CB 4.35Å; F165-V172 HydrophobicContact CD2-CB 4.16Å; F165-V172 HydrophobicContact CD2-CG2 4.32Å; F165-V172 HydrophobicContact CE1-CB 4.07Å; F165-V172 HydrophobicContact CE1-CG1 3.88Å; F165-V172 HydrophobicContact CE2-CB 3.88Å; F165-V172 HydrophobicContact CE2-CG1 4.15Å; F165-V172 HydrophobicContact CE2-CG2 3.94Å; F165-V172 HydrophobicContact CG-CB 4.41Å; F165-V172 HydrophobicContact CZ-CB 3.84Å; F165-V172 HydrophobicContact CZ-CG1 3.64Å; F165-V172 HydrophobicContact CZ-CG2 4.29Å; F165-V172 PolarHBondContact N-O 2.91Å; F165-V172 VanDerWaalsContact N-O 3.11Å; F165-V172 PolarHBondContact O-N 2.86Å; F165-A174 HydrophobicContact CE1-CB 3.97Å
166	I	98	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.1	175.7	-57.8	-55.3	0	0	0	109.8	L82 Q84 I85 L132 G168 S170 L171 I199 L202	L82-I166 HydrophobicContact CD1-CD1 4.21Å; Q84-I166 HydrophobicContact CB-CB 4.42Å; Q84-I166 PolarHBondContact NE2-O 3.11Å; I85-I166 HydrophobicContact CD1-CD1 4.36Å; I85-I166 HydrophobicContact CD1-CG1 4.31Å; I85-I166 HydrophobicContact CG1-CG1 4.11Å; L132-I166 HydrophobicContact CB-CG2 4.27Å; L132-I166 HydrophobicContact CD2-CG2 4.19Å; I166-G168 VanDerWaalsContact CG2-O 3.25Å; I166-G168 WeakPolarHBondContact CG2-O 3.5Å; I166-S170 CarbonylContact C-O 3.45Å; I166-S170 WeakPolarHBondContact CA-O 3.31Å; I166-L171 HydrophobicContact CD1-CB 4.01Å; I166-L171 HydrophobicContact CD1-CD1 3.96Å; I166-I199 HydrophobicContact CD1-CD1 4.19Å; I166-L202 HydrophobicContact CD1-CD1 3.82Å; I166-L202 HydrophobicContact CG1-CD1 4.2Å; I166-L202 HydrophobicContact CG2-CD1 3.88Å
167	R	97.1	Very high	95.5	Very high	100 Å²	100	22 Å²	22	38%	0.377	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	104.7	170.2	-171.4	-169	-46.3	-179.5	10.8	109.3	L132 P135 F165 C169 S170 V172	L132-R167 CarbonylContact O-C 3.51Å; L132-R167 WeakPolarHBondContact O-CA 3.39Å; P135-R167 HydrophobicContact CG-CB 4.03Å; P135-R167 HydrophobicContact CG-CG 4.01Å; F165-R167 HydrophobicContact CE2-CB 4.37Å; R167-C169 PolarHBondContact O-N 2.98Å; R167-S170 PolarHBondContact N-O 2.88Å; R167-S170 PolarHBondContact O-N 3.22Å; R167-S170 VanDerWaalsContact O-N 3.09Å; R167-V172 HydrophobicContact CB-CG2 3.94Å
168	G	97.8	Very high	95.6	Very high	17 Å²	17	20.3 Å²	20.3	18%	0.175	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-122.2	-169.9	0	0	0	0	0	109.8	L132 I166 L206	L132-G168 PolarHBondContact O-N 3.5Å; I166-G168 VanDerWaalsContact CG2-O 3.25Å; I166-G168 WeakPolarHBondContact CG2-O 3.5Å; G168-L206 VanDerWaalsContact C-CD1 3.41Å
169	C	97.2	Very high	95.8	Very high	28 Å²	28	15.5 Å²	15.5	19%	0.189	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	3.8	174.6	57.8	0	0	0	0	113.6	R167 V198 I199 L202 Q203 L206	R167-C169 PolarHBondContact O-N 2.98Å; C169-V198 HydrophobicContact CB-CG1 4.44Å; C169-I199 PolarHBondContact O-N 3.19Å; C169-L202 HydrophobicContact CB-CB 4.23Å; C169-Q203 HydrophobicContact CB-CB 3.79Å; C169-L206 HydrophobicContact CB-CD1 4.16Å
170	S	96.9	Very high	95.8	Very high	13 Å²	13	20 Å²	20	9%	0.091	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.3	-174.2	-61.4	0	0	0	0	112.7	I166 R167 C197	I166-S170 CarbonylContact C-O 3.45Å; I166-S170 WeakPolarHBondContact CA-O 3.31Å; R167-S170 PolarHBondContact N-O 2.88Å; R167-S170 PolarHBondContact O-N 3.22Å; R167-S170 VanDerWaalsContact O-N 3.09Å; S170-C197 CarbonylContact C-O 3.55Å; S170-C197 WeakPolarHBondContact CA-O 3.47Å; S170-C197 WeakPolarHBondContact CB-O 3.27Å
171	L	97	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.7	163.3	173	59.3	0	0	0	109.2	L45 V47 V52 L82 M164 I166 E196 C197 I199	L45-L171 HydrophobicContact CD1-CD2 3.62Å; L45-L171 HydrophobicContact CD1-CG 4.05Å; V47-L171 HydrophobicContact CG2-CD2 3.75Å; V52-L171 HydrophobicContact CG2-CD2 4.34Å; L82-L171 HydrophobicContact CD1-CD1 4.11Å; L82-L171 HydrophobicContact CD2-CD1 3.72Å; M164-L171 HydrophobicContact CB-CD1 4.3Å; I166-L171 HydrophobicContact CD1-CB 4.01Å; I166-L171 HydrophobicContact CD1-CD1 3.96Å; L171-E196 VanDerWaalsContact O-CA 3.26Å; L171-E196 WeakPolarHBondContact O-CA 3.3Å; L171-C197 PolarHBondContact N-O 2.86Å; L171-C197 PolarHBondContact O-N 2.73Å; L171-I199 HydrophobicContact CB-CD1 3.69Å; L171-I199 HydrophobicContact CB-CG1 4.09Å; L171-I199 HydrophobicContact CD2-CD1 4.29Å
172	V	96	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.7	-178.6	-174.2	0	0	0	0	109.1	M164 F165 R167 E196	M164-V172 VanDerWaalsContact CA-O 3.28Å; M164-V172 WeakPolarHBondContact CA-O 3.43Å; F165-V172 HydrophobicContact CD1-CB 4.35Å; F165-V172 HydrophobicContact CD2-CB 4.16Å; F165-V172 HydrophobicContact CD2-CG2 4.32Å; F165-V172 HydrophobicContact CE1-CB 4.07Å; F165-V172 HydrophobicContact CE1-CG1 3.88Å; F165-V172 HydrophobicContact CE2-CB 3.88Å; F165-V172 HydrophobicContact CE2-CG1 4.15Å; F165-V172 HydrophobicContact CE2-CG2 3.94Å; F165-V172 HydrophobicContact CG-CB 4.41Å; F165-V172 HydrophobicContact CZ-CB 3.84Å; F165-V172 HydrophobicContact CZ-CG1 3.64Å; F165-V172 HydrophobicContact CZ-CG2 4.29Å; F165-V172 PolarHBondContact N-O 2.91Å; F165-V172 VanDerWaalsContact N-O 3.11Å; F165-V172 PolarHBondContact O-N 2.86Å; R167-V172 HydrophobicContact CB-CG2 3.94Å; V172-E196 HydrophobicContact CB-CB 4.43Å; V172-E196 HydrophobicContact CG2-CB 3.97Å
173	F	95.7	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	161.9	173.5	-121.6	0	0	0	109.1	I41 A43 L57 V59 L162 M164 S194 I195	I41-F173 HydrophobicContact CB-CE1 4.33Å; I41-F173 HydrophobicContact CD1-CD1 4.03Å; I41-F173 HydrophobicContact CD1-CE1 4.26Å; A43-F173 HydrophobicContact CB-CB 4.41Å; A43-F173 HydrophobicContact CB-CD1 3.75Å; A43-F173 HydrophobicContact CB-CE1 4.28Å; A43-F173 HydrophobicContact CB-CG 4.19Å; L57-F173 HydrophobicContact CB-CE1 4.48Å; L57-F173 HydrophobicContact CB-CZ 4.03Å; L57-F173 HydrophobicContact CD1-CE2 3.88Å; L57-F173 HydrophobicContact CD1-CZ 4.09Å; L57-F173 HydrophobicContact CD2-CD1 4.41Å; L57-F173 HydrophobicContact CD2-CD2 4.23Å; L57-F173 HydrophobicContact CD2-CE1 4.16Å; L57-F173 HydrophobicContact CD2-CE2 3.98Å; L57-F173 HydrophobicContact CD2-CG 4.43Å; L57-F173 HydrophobicContact CD2-CZ 3.94Å; L57-F173 HydrophobicContact CG-CE2 4.39Å; L57-F173 HydrophobicContact CG-CZ 4.25Å; V59-F173 HydrophobicContact CG2-CE1 4.06Å; V59-F173 HydrophobicContact CG2-CZ 3.84Å; L162-F173 HydrophobicContact CB-CE2 4.21Å; L162-F173 HydrophobicContact CD1-CE2 4.45Å; L162-F173 HydrophobicContact CD1-CZ 4.45Å; L162-F173 HydrophobicContact CD2-CE2 4.23Å; L162-F173 HydrophobicContact CD2-CZ 4.02Å; M164-F173 HydrophobicContact CG-CB 4.44Å; M164-F173 HydrophobicContact CG-CD2 3.85Å; F173-S194 VanDerWaalsContact O-CA 3.22Å; F173-S194 WeakPolarHBondContact O-CA 3.26Å; F173-S194 WeakPolarHBondContact O-CB 3.34Å; F173-I195 HydrophobicContact CB-CG1 4.09Å; F173-I195 HydrophobicContact CD1-CD1 3.94Å; F173-I195 HydrophobicContact CD1-CG1 4Å; F173-I195 PolarHBondContact N-O 2.84Å; F173-I195 PolarHBondContact O-N 2.73Å
174	A	94.7	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.1	179.9	0	0	0	0	0	111.2	S163 F165 Y176 S193	S163-A174 PolarHBondContact N-O 2.91Å; S163-A174 PolarHBondContact O-N 2.94Å; F165-A174 HydrophobicContact CE1-CB 3.97Å; A174-Y176 HydrophobicContact CB-CE2 3.72Å; A174-S193 WeakPolarHBondContact CA-O 3.25Å
175	A	94.8	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.9	171.3	0	0	0	0	0	109.9	I41 V59 V161 L162 R192 S193	I41-A175 HydrophobicContact CG2-CB 3.86Å; V59-A175 HydrophobicContact CB-CB 4.45Å; V59-A175 HydrophobicContact CG1-CB 3.64Å; V59-A175 HydrophobicContact CG2-CB 3.9Å; V161-A175 CarbonylContact O-C 3.58Å; V161-A175 WeakPolarHBondContact O-CA 3.19Å; L162-A175 HydrophobicContact CD2-CB 3.77Å; A175-R192 WeakPolarHBondContact O-CA 3.39Å; A175-S193 PolarHBondContact N-O 3.15Å; A175-S193 PolarHBondContact O-N 2.93Å
176	Y	94.9	Very high	95.2	Very high	40 Å²	40	49.3 Å²	49.3	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.5	178.7	-55.4	-106.5	0	0	0	107.3	I160 V161 A174 V189 N191 R192	I160-Y176 CarbonylContact C-O 3.58Å; I160-Y176 VanDerWaalsContact CA-O 3.3Å; I160-Y176 WeakPolarHBondContact CA-O 3.4Å; V161-Y176 HydrophobicContact CB-CD2 4.3Å; V161-Y176 HydrophobicContact CG1-CD2 3.96Å; V161-Y176 PolarHBondContact N-O 2.88Å; V161-Y176 PolarHBondContact O-N 3.07Å; A174-Y176 HydrophobicContact CB-CE2 3.72Å; Y176-V189 HydrophobicContact CD1-CG1 4.13Å; Y176-V189 HydrophobicContact CD1-CG2 4.11Å; Y176-N191 WeakPolarHBondContact CA-O 3.48Å; Y176-R192 HydrophobicContact CD1-CB 4.09Å; Y176-R192 HydrophobicContact CD1-CG 3.85Å; Y176-R192 HydrophobicContact CE1-CB 4.28Å; Y176-R192 VanDerWaalsContact CE1-CD 3.46Å; Y176-R192 HydrophobicContact CE1-CG 3.65Å; Y176-R192 HydrophobicContact CG-CG 4.49Å; Y176-R192 PolarHBondContact OH-NE 3.1Å
177	N	95.1	Very high	94.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128	168.5	-76.5	-78.4	0	0	0	107.8	H60 R61 T62 L190 N191	H60-N177 PolarHBondContact O-ND2 2.92Å; H60-N177 VanDerWaalsContact O-ND2 3.13Å; H60-N177 PolarHBondContact O-OD1 3.47Å; R61-N177 WeakPolarHBondContact CA-OD1 3.49Å; T62-N177 PolarHBondContact N-OD1 3.44Å; N177-L190 WeakPolarHBondContact O-CB 3.34Å; N177-L190 PolarHBondContact O-N 2.88Å; N177-N191 PolarHBondContact N-O 2.72Å; N177-N191 PolarHBondContact ND2-OD1 3.15Å; N177-N191 PolarHBondContact O-N 3.42Å
178	L	95.4	Very high	94.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.2	-176.2	-53.5	-177.6	0	0	0	110.8	N63 I140 L144 D159 V161 W187 E188 V189	N63-L178 PolarHBondContact ND2-O 3.35Å; I140-L178 HydrophobicContact CD1-CD2 4.45Å; I140-L178 HydrophobicContact CG2-CD1 3.75Å; I140-L178 HydrophobicContact CG2-CD2 4.17Å; L144-L178 HydrophobicContact CD2-CD1 4.26Å; D159-L178 PolarHBondContact O-N 3.29Å; V161-L178 HydrophobicContact CG2-CD1 3.78Å; L178-W187 HydrophobicContact CB-CD2 4.42Å; L178-W187 HydrophobicContact CB-CE3 3.59Å; L178-W187 HydrophobicContact CB-CZ3 4.14Å; L178-W187 HydrophobicContact CD1-CB 4.28Å; L178-W187 HydrophobicContact CD1-CD2 4.44Å; L178-W187 HydrophobicContact CD1-CE3 4.34Å; L178-W187 HydrophobicContact CD1-CG 4.45Å; L178-E188 CarbonylContact C-O 3.53Å; L178-E188 VanDerWaalsContact CA-O 3.25Å; L178-E188 WeakPolarHBondContact CA-O 3.32Å; L178-V189 HydrophobicContact CD2-CG2 3.96Å
179	V	95	Very high	94.7	Very high	58 Å²	58	52.7 Å²	52.7	35%	0.352	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.3	167.2	63	0	0	0	0	108.4	E188 L190	V179-E188 HydrophobicContact CG1-CB 4.13Å; V179-E188 PolarHBondContact N-O 3.44Å; V179-E188 PolarHBondContact O-N 2.88Å; V179-L190 HydrophobicContact CB-CB 4.5Å; V179-L190 HydrophobicContact CG1-CB 4.36Å
180	Y	93.9	Very high	94.5	Very high	115 Å²	115	55.3 Å²	55.3	45%	0.451	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.6	177.3	-174	-103.9	0	0	0	109.7	S182 K185 W187	Y180-S182 PolarHBondContact O-N 2.89Å; Y180-K185 WeakPolarHBondContact OH-CA 3.49Å; Y180-W187 AromaticContact CD2-CD2 3.88Å; Y180-W187 HydrophobicContact CD2-CD2 3.88Å; Y180-W187 AromaticContact CD2-CE2 3.73Å; Y180-W187 HydrophobicContact CD2-CE3 4.39Å; Y180-W187 HydrophobicContact CD2-CG 4.12Å; Y180-W187 HydrophobicContact CD2-CZ2 4.17Å; Y180-W187 AromaticContact CD2-NE1 3.83Å
181	N	93.4	Very high	94.4	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	109.3	172.5	178.3	-15.5	0	0	0	108.4	L183 D184 K185 R186 E188	N181-L183 VanDerWaalsContact C-N 3.34Å; N181-L183 WeakPolarHBondContact OD1-CB 3.14Å; N181-L183 PolarHBondContact OD1-N 3.28Å; N181-D184 PolarHBondContact ND2-OD2 2.78Å; N181-D184 PolarHBondContact OD1-N 3.15Å; N181-D184 VanDerWaalsContact OD1-N 3.16Å; N181-K185 VanDerWaalsContact O-CA 3.26Å; N181-K185 WeakPolarHBondContact O-CA 3.47Å; N181-K185 PolarHBondContact O-N 3.23Å; N181-R186 PolarHBondContact N-O 3.19Å; N181-R186 PolarHBondContact O-N 3.16Å; N181-E188 HydrophobicContact CB-CG 4.29Å; N181-E188 PolarHBondContact ND2-OE1 3.44Å
182	S	93.5	Very high	94.2	Very high	89 Å²	89	61.2 Å²	61.2	62%	0.622	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.3	-177.5	56.1	0	0	0	0	113.8	Y180	Y180-S182 PolarHBondContact O-N 2.89Å
183	L	94.4	Very high	94	Very high	156 Å²	156	62.1 Å²	62.1	82%	0.817	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-50.6	178.1	-63	172.8	0	0	0	110.1	N181 K185	N181-L183 VanDerWaalsContact C-N 3.34Å; N181-L183 WeakPolarHBondContact OD1-CB 3.14Å; N181-L183 PolarHBondContact OD1-N 3.28Å; L183-K185 VanDerWaalsContact C-N 3.32Å
184	D	92.3	Very high	94	Very high	95 Å²	95	64.4 Å²	64.4	51%	0.508	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.6	-179.7	-64.3	-36.1	0	0	0	113.1	N181 R186	N181-D184 PolarHBondContact ND2-OD2 2.78Å; N181-D184 PolarHBondContact OD1-N 3.15Å; N181-D184 VanDerWaalsContact OD1-N 3.16Å; D184-R186 HydrophobicContact CB-CG 3.89Å; D184-R186 PolarHBondContact O-N 3.23Å; D184-R186 IonicContact OD2-NH2 2.59Å
185	K	92.4	Very high	94	Very high	163 Å²	163	65.7 Å²	65.7	71%	0.709	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.6	-178.1	-60.4	-179.8	-179.3	175.8	0	113.5	Y180 N181 L183	Y180-K185 WeakPolarHBondContact OH-CA 3.49Å; N181-K185 VanDerWaalsContact O-CA 3.26Å; N181-K185 WeakPolarHBondContact O-CA 3.47Å; N181-K185 PolarHBondContact O-N 3.23Å; L183-K185 VanDerWaalsContact C-N 3.32Å
186	R	92.9	Very high	94	Very high	126 Å²	126	70.7 Å²	70.7	48%	0.475	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.4	-177.2	72	-178.2	-176	-171.8	-4	112	N181 D184 E188	N181-R186 PolarHBondContact N-O 3.19Å; N181-R186 PolarHBondContact O-N 3.16Å; D184-R186 HydrophobicContact CB-CG 3.89Å; D184-R186 PolarHBondContact O-N 3.23Å; D184-R186 IonicContact OD2-NH2 2.59Å; R186-E188 HydrophobicContact CG-CG 4.21Å; R186-E188 IonicContact CZ-OE1 2.95Å; R186-E188 IonicContact NE-OE1 3.31Å; R186-E188 PolarHBondContact NE-OE1 2.94Å; R186-E188 IonicContact NH2-OE1 3.77Å; R186-E188 PolarHBondContact NH2-OE1 3.05Å
187	W	93.6	Very high	94	Very high	62 Å²	62	69.8 Å²	69.8	24%	0.235	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142	169.9	-68.9	95	0	0	0	109.9	I140 L144 K158 D159 L178 Y180	I140-W187 WeakPolarHBondContact CD1-O 3.21Å; I140-W187 HydrophobicContact CG2-CB 3.72Å; L144-W187 HydrophobicContact CD1-CG 4.08Å; K158-W187 HydrophobicContact CB-CH2 4.01Å; K158-W187 HydrophobicContact CB-CZ2 3.88Å; D159-W187 HydrophobicContact CB-CZ3 4.49Å; L178-W187 HydrophobicContact CB-CD2 4.42Å; L178-W187 HydrophobicContact CB-CE3 3.59Å; L178-W187 HydrophobicContact CB-CZ3 4.14Å; L178-W187 HydrophobicContact CD1-CB 4.28Å; L178-W187 HydrophobicContact CD1-CD2 4.44Å; L178-W187 HydrophobicContact CD1-CE3 4.34Å; L178-W187 HydrophobicContact CD1-CG 4.45Å; Y180-W187 AromaticContact CD2-CD2 3.88Å; Y180-W187 HydrophobicContact CD2-CD2 3.88Å; Y180-W187 AromaticContact CD2-CE2 3.73Å; Y180-W187 HydrophobicContact CD2-CE3 4.39Å; Y180-W187 HydrophobicContact CD2-CG 4.12Å; Y180-W187 HydrophobicContact CD2-CZ2 4.17Å; Y180-W187 AromaticContact CD2-NE1 3.83Å
188	E	94.4	Very high	94	Very high	58 Å²	58	73 Å²	73	27%	0.271	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.4	176.9	-63.7	-177.6	172.4	0	0	109.3	L178 V179 N181 R186 L190	L178-E188 CarbonylContact C-O 3.53Å; L178-E188 VanDerWaalsContact CA-O 3.25Å; L178-E188 WeakPolarHBondContact CA-O 3.32Å; V179-E188 HydrophobicContact CG1-CB 4.13Å; V179-E188 PolarHBondContact N-O 3.44Å; V179-E188 PolarHBondContact O-N 2.88Å; N181-E188 HydrophobicContact CB-CG 4.29Å; N181-E188 PolarHBondContact ND2-OE1 3.44Å; R186-E188 HydrophobicContact CG-CG 4.21Å; R186-E188 IonicContact CZ-OE1 2.95Å; R186-E188 IonicContact NE-OE1 3.31Å; R186-E188 PolarHBondContact NE-OE1 2.94Å; R186-E188 IonicContact NH2-OE1 3.77Å; R186-E188 PolarHBondContact NH2-OE1 3.05Å; E188-L190 PolarHBondContact O-N 2.73Å
189	V	94.8	Very high	94	Very high	67 Å²	67	73 Å²	73	41%	0.406	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.4	177.1	178.9	0	0	0	0	108.6	I140 Y176 L178 N191 R192	I140-V189 HydrophobicContact CD1-CG2 3.81Å; I140-V189 HydrophobicContact CG1-CG2 4.07Å; Y176-V189 HydrophobicContact CD1-CG1 4.13Å; Y176-V189 HydrophobicContact CD1-CG2 4.11Å; L178-V189 HydrophobicContact CD2-CG2 3.96Å; V189-N191 WeakPolarHBondContact CG1-O 3.41Å; V189-R192 HydrophobicContact CG1-CB 4.47Å
190	L	94	Very high	94	Very high	83 Å²	83	73.5 Å²	73.5	44%	0.435	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-46.7	172.5	178.4	64.1	0	0	0	110.7	T62 N63 N177 V179 E188	T62-L190 HydrophobicContact CG2-CD2 3.76Å; N63-L190 WeakPolarHBondContact OD1-CD2 3.37Å; N177-L190 WeakPolarHBondContact O-CB 3.34Å; N177-L190 PolarHBondContact O-N 2.88Å; V179-L190 HydrophobicContact CB-CB 4.5Å; V179-L190 HydrophobicContact CG1-CB 4.36Å; E188-L190 PolarHBondContact O-N 2.73Å
191	N	93.6	Very high	94	Very high	40 Å²	40	69.4 Å²	69.4	21%	0.214	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	160.7	171.9	61.4	71	0	0	0	111.1	T62 Y176 N177 V189	T62-N191 WeakPolarHBondContact CB-ND2 3.18Å; T62-N191 PolarHBondContact OG1-ND2 3.28Å; Y176-N191 WeakPolarHBondContact CA-O 3.48Å; N177-N191 PolarHBondContact N-O 2.72Å; N177-N191 PolarHBondContact ND2-OD1 3.15Å; N177-N191 PolarHBondContact O-N 3.42Å; V189-N191 WeakPolarHBondContact CG1-O 3.41Å
192	R	92.9	Very high	94.2	Very high	98 Å²	98	67.8 Å²	67.8	37%	0.37	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.4	175.8	-179.7	-173.9	178.9	-78	-8.8	109	A175 Y176 V189 S194	A175-R192 WeakPolarHBondContact O-CA 3.39Å; Y176-R192 HydrophobicContact CD1-CB 4.09Å; Y176-R192 HydrophobicContact CD1-CG 3.85Å; Y176-R192 HydrophobicContact CE1-CB 4.28Å; Y176-R192 VanDerWaalsContact CE1-CD 3.46Å; Y176-R192 HydrophobicContact CE1-CG 3.65Å; Y176-R192 HydrophobicContact CG-CG 4.49Å; Y176-R192 PolarHBondContact OH-NE 3.1Å; V189-R192 HydrophobicContact CG1-CB 4.47Å; R192-S194 PolarHBondContact NH1-OG 2.82Å; R192-S194 PolarHBondContact NH2-OG 3.05Å
193	S	93.1	Very high	94.4	Very high	18 Å²	18	68.6 Å²	68.6	13%	0.126	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.7	168.4	-64.3	0	0	0	0	109.2	A174 A175	A174-S193 WeakPolarHBondContact CA-O 3.25Å; A175-S193 PolarHBondContact N-O 3.15Å; A175-S193 PolarHBondContact O-N 2.93Å
194	S	94.1	Very high	94.5	Very high	48 Å²	48	65.2 Å²	65.2	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.9	171.7	60.6	0	0	0	0	112.5	F173 R192	F173-S194 VanDerWaalsContact O-CA 3.22Å; F173-S194 WeakPolarHBondContact O-CA 3.26Å; F173-S194 WeakPolarHBondContact O-CB 3.34Å; R192-S194 PolarHBondContact NH1-OG 2.82Å; R192-S194 PolarHBondContact NH2-OG 3.05Å
195	I	95.1	Very high	94.8	Very high	28 Å²	28	60.7 Å²	60.7	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.5	173.6	56	-174.1	0	0	0	107.6	L32 I41 A43 F173	L32-I195 HydrophobicContact CB-CB 4.16Å; L32-I195 HydrophobicContact CB-CD1 3.46Å; L32-I195 VanDerWaalsContact CB-CD1 3.46Å; L32-I195 HydrophobicContact CB-CG1 3.76Å; L32-I195 HydrophobicContact CD2-CB 4.47Å; L32-I195 HydrophobicContact CD2-CG1 4Å; I41-I195 HydrophobicContact CD1-CB 4.4Å; I41-I195 HydrophobicContact CD1-CD1 4.18Å; I41-I195 HydrophobicContact CD1-CG1 3.87Å; I41-I195 HydrophobicContact CD1-CG2 4.1Å; I41-I195 HydrophobicContact CG1-CD1 4.08Å; I41-I195 HydrophobicContact CG1-CG1 4.22Å; I41-I195 HydrophobicContact CG1-CG2 3.89Å; A43-I195 HydrophobicContact CB-CD1 3.95Å; F173-I195 HydrophobicContact CB-CG1 4.09Å; F173-I195 HydrophobicContact CD1-CD1 3.94Å; F173-I195 HydrophobicContact CD1-CG1 4Å; F173-I195 PolarHBondContact N-O 2.84Å; F173-I195 PolarHBondContact O-N 2.73Å
196	E	94.9	Very high	95.1	Very high	105 Å²	105	53.9 Å²	53.9	49%	0.491	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.1	-176.8	63.6	-174.8	-149	0	0	111.8	L171 V172	L171-E196 VanDerWaalsContact O-CA 3.26Å; L171-E196 WeakPolarHBondContact O-CA 3.3Å; V172-E196 HydrophobicContact CB-CB 4.43Å; V172-E196 HydrophobicContact CG2-CB 3.97Å
197	C	94.8	Very high	95.4	Very high	20 Å²	20	51.2 Å²	51.2	14%	0.135	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.6	172	60.5	0	0	0	0	109.2	F30 L32 S170 L171	F30-C197 HydrophobicContact CB-CB 4.29Å; F30-C197 HydrophobicContact CD1-CB 4.06Å; F30-C197 HydrophobicContact CG-CB 4.43Å; F30-C197 VanDerWaalsContact CG-SG 3.58Å; L32-C197 HydrophobicContact CD1-CB 4.15Å; L32-C197 HydrophobicContact CD2-CB 4.13Å; L32-C197 HydrophobicContact CG-CB 3.91Å; S170-C197 CarbonylContact C-O 3.55Å; S170-C197 WeakPolarHBondContact CA-O 3.47Å; S170-C197 WeakPolarHBondContact CB-O 3.27Å; L171-C197 PolarHBondContact N-O 2.86Å; L171-C197 PolarHBondContact O-N 2.73Å
198	V	95.5	Very high	95.6	Very high	69 Å²	69	51.2 Å²	51.2	42%	0.418	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.7	174.7	176	0	0	0	0	109.2	F30 C169 P200	F30-V198 WeakPolarHBondContact CE1-O 3.42Å; C169-V198 HydrophobicContact CB-CG1 4.44Å; V198-P200 WeakPolarHBondContact O-CD 3.45Å
199	I	95	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.			trans	-98.4	108	167.7	-62	-175	0	0	0	107.5	F30 I166 C169 L171 R201 L202 Q203	F30-I199 HydrophobicContact CE1-CG1 4.37Å; F30-I199 HydrophobicContact CE2-CG1 4.25Å; F30-I199 HydrophobicContact CZ-CB 4.45Å; F30-I199 HydrophobicContact CZ-CG1 3.84Å; I166-I199 HydrophobicContact CD1-CD1 4.19Å; C169-I199 PolarHBondContact O-N 3.19Å; L171-I199 HydrophobicContact CB-CD1 3.69Å; L171-I199 HydrophobicContact CB-CG1 4.09Å; L171-I199 HydrophobicContact CD2-CD1 4.29Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 HydrophobicContact CG2-CG 3.56Å; I199-R201 PolarHBondContact O-N 2.96Å; I199-L202 HydrophobicContact CB-CB 4.25Å; I199-L202 HydrophobicContact CB-CD1 3.97Å; I199-L202 HydrophobicContact CB-CG 3.98Å; I199-L202 HydrophobicContact CD1-CD1 4Å; I199-L202 HydrophobicContact CG1-CD1 4.46Å; I199-L202 HydrophobicContact CG2-CB 4.31Å; I199-L202 HydrophobicContact CG2-CD1 4.16Å; I199-L202 HydrophobicContact CG2-CG 3.77Å; I199-L202 PolarHBondContact O-N 2.76Å; I199-Q203 PolarHBondContact O-N 3.24Å
200	P	94.5	Very high	96	Very high	69 Å²	69	47.9 Å²	47.9	45%	0.448	25%	0.25	S	C	.	.	H	α-helix	trans	-55.5	-43.3	-172.9	-28.8	36.3	0	0	0	114.1	V198 L202 Q203 E204	V198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-L202 PolarHBondContact O-N 3.48Å; P200-Q203 WeakPolarHBondContact O-CA 3.36Å; P200-Q203 VanDerWaalsContact O-CB 3.27Å; P200-Q203 WeakPolarHBondContact O-CB 3.45Å; P200-Q203 PolarHBondContact O-N 3.13Å; P200-E204 PolarHBondContact O-N 2.95Å
201	R	95.2	Very high	96.2	Very high	29 Å²	29	45.3 Å²	45.3	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-30.1	177.5	60.8	178.6	-178.3	93.3	7.6	113.5	Q17 E28 G49 I199 E204 T205	Q17-R201 HydrophobicContact CB-CB 4.37Å; Q17-R201 WeakPolarHBondContact O-CD 3.42Å; Q17-R201 PolarHBondContact O-NH1 2.88Å; E28-R201 WeakPolarHBondContact OE1-CD 3.47Å; E28-R201 IonicContact OE1-CZ 3.12Å; E28-R201 IonicContact OE1-NE 3.84Å; E28-R201 PolarHBondContact OE1-NE 2.79Å; E28-R201 IonicContact OE1-NH2 3.5Å; G49-R201 PolarHBondContact O-NH2 3.46Å; I199-R201 VanDerWaalsContact C-N 3.35Å; I199-R201 HydrophobicContact CG2-CG 3.56Å; I199-R201 PolarHBondContact O-N 2.96Å; R201-E204 PolarHBondContact O-N 3.07Å; R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 PolarHBondContact O-OG1 3.41Å
202	L	97.1	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.9	-30.1	174.9	-63.6	-174.9	0	0	0	111.7	L18 I85 L132 I166 C169 I199 P200 T205 L206	L18-L202 HydrophobicContact CD2-CD2 4.08Å; I85-L202 HydrophobicContact CD1-CD1 4.28Å; I85-L202 HydrophobicContact CD1-CD2 4.42Å; I85-L202 HydrophobicContact CG1-CD2 4.34Å; L132-L202 HydrophobicContact CD1-CD2 4.33Å; I166-L202 HydrophobicContact CD1-CD1 3.82Å; I166-L202 HydrophobicContact CG1-CD1 4.2Å; I166-L202 HydrophobicContact CG2-CD1 3.88Å; C169-L202 HydrophobicContact CB-CB 4.23Å; I199-L202 HydrophobicContact CB-CB 4.25Å; I199-L202 HydrophobicContact CB-CD1 3.97Å; I199-L202 HydrophobicContact CB-CG 3.98Å; I199-L202 HydrophobicContact CD1-CD1 4Å; I199-L202 HydrophobicContact CG1-CD1 4.46Å; I199-L202 HydrophobicContact CG2-CB 4.31Å; I199-L202 HydrophobicContact CG2-CD1 4.16Å; I199-L202 HydrophobicContact CG2-CG 3.77Å; I199-L202 PolarHBondContact O-N 2.76Å; P200-L202 PolarHBondContact O-N 3.48Å; L202-T205 PolarHBondContact O-N 3.12Å; L202-L206 WeakPolarHBondContact O-CG 3.16Å; L202-L206 PolarHBondContact O-N 3.48Å
203	Q	97.4	Very high	96.7	Very high	106 Å²	106	39.7 Å²	39.7	50%	0.495	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-42.2	170.7	-174.3	175.7	-0.4	0	0	111.1	C169 I199 P200 L206 S207	C169-Q203 HydrophobicContact CB-CB 3.79Å; I199-Q203 PolarHBondContact O-N 3.24Å; P200-Q203 WeakPolarHBondContact O-CA 3.36Å; P200-Q203 VanDerWaalsContact O-CB 3.27Å; P200-Q203 WeakPolarHBondContact O-CB 3.45Å; P200-Q203 PolarHBondContact O-N 3.13Å; Q203-L206 PolarHBondContact O-N 2.64Å; Q203-S207 PolarHBondContact O-N 2.99Å; Q203-S207 PolarHBondContact O-OG 2.77Å
204	E	97.5	Very high	97	Very high	86 Å²	86	43.4 Å²	43.4	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-47.8	172.7	-68.2	-176.6	-166.3	0	0	111.6	Q17 P200 R201 L206 S207 Y208	Q17-E204 HydrophobicContact CG-CB 4.28Å; Q17-E204 PolarHBondContact NE2-OE2 3.13Å; Q17-E204 PolarHBondContact OE1-OE2 2.95Å; P200-E204 PolarHBondContact O-N 2.95Å; R201-E204 PolarHBondContact O-N 3.07Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.05Å; E204-S207 WeakPolarHBondContact O-CB 3.45Å; E204-S207 PolarHBondContact O-N 3.01Å; E204-S207 VanDerWaalsContact O-N 3.08Å; E204-Y208 HydrophobicContact CB-CE2 4.23Å; E204-Y208 WeakPolarHBondContact O-CD2 3.29Å; E204-Y208 PolarHBondContact O-N 3.47Å
205	T	98.4	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.4	-48.6	175.6	-62.7	0	0	0	0	112	C14 Q17 L18 L132 R201 L202 S207 Y208 L209	C14-T205 HydrophobicContact CB-CG2 4.27Å; Q17-T205 VanDerWaalsContact CB-OG1 3.31Å; Q17-T205 WeakPolarHBondContact CB-OG1 3.06Å; L18-T205 HydrophobicContact CD1-CG2 4.03Å; L18-T205 HydrophobicContact CD2-CG2 4.13Å; L18-T205 HydrophobicContact CG-CG2 4.08Å; L132-T205 HydrophobicContact CD1-CG2 4.02Å; R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 PolarHBondContact O-OG1 3.41Å; L202-T205 PolarHBondContact O-N 3.12Å; T205-S207 VanDerWaalsContact C-N 3.31Å; T205-S207 PolarHBondContact O-N 3.08Å; T205-Y208 PolarHBondContact O-N 3.32Å; T205-L209 HydrophobicContact CG2-CD1 4Å; T205-L209 HydrophobicContact CG2-CG 4.38Å; T205-L209 WeakPolarHBondContact O-CG 3.26Å; T205-L209 PolarHBondContact O-N 2.99Å
206	L	98.6	Very high	97.2	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-39.7	178.2	-74.3	174.7	0	0	0	112.1	R129 L132 T133 G168 C169 L202 Q203 E204 Y208 L209 D210	R129-L206 HydrophobicContact CG-CD2 3.98Å; L132-L206 HydrophobicContact CB-CD2 4.24Å; L132-L206 HydrophobicContact CD1-CD2 4.16Å; L132-L206 HydrophobicContact CD1-CG 4.36Å; T133-L206 HydrophobicContact CG2-CD1 4.46Å; T133-L206 HydrophobicContact CG2-CD2 3.84Å; G168-L206 VanDerWaalsContact C-CD1 3.41Å; C169-L206 HydrophobicContact CB-CD1 4.16Å; L202-L206 WeakPolarHBondContact O-CG 3.16Å; L202-L206 PolarHBondContact O-N 3.48Å; Q203-L206 PolarHBondContact O-N 2.64Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.05Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 3.5Å; L206-L209 PolarHBondContact O-N 2.8Å; L206-D210 WeakPolarHBondContact O-CB 3.33Å; L206-D210 VanDerWaalsContact O-CG 3.27Å; L206-D210 PolarHBondContact O-N 2.71Å
207	S	98.5	Very high	97.2	Very high	69 Å²	69	38.8 Å²	38.8	48%	0.483	21%	0.211	S	C	.	.	H	α-helix	trans	-61.9	-41.9	177.3	-56	0	0	0	0	111.9	Q203 E204 T205 A211	Q203-S207 PolarHBondContact O-N 2.99Å; Q203-S207 PolarHBondContact O-OG 2.77Å; E204-S207 WeakPolarHBondContact O-CB 3.45Å; E204-S207 PolarHBondContact O-N 3.01Å; E204-S207 VanDerWaalsContact O-N 3.08Å; T205-S207 VanDerWaalsContact C-N 3.31Å; T205-S207 PolarHBondContact O-N 3.08Å; S207-A211 WeakPolarHBondContact O-CB 3.09Å; S207-A211 PolarHBondContact O-N 3.06Å
208	Y	98.7	Very high	97.3	Very high	62 Å²	62	43.6 Å²	43.6	24%	0.243	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-41.1	175.6	-72	-58.9	0	0	0	112.7	Y9 C10 C14 E204 T205 L206 A211 A212	Y9-Y208 HydrophobicContact CE1-CE1 4.18Å; C10-Y208 HydrophobicContact CB-CD1 4.42Å; C10-Y208 WeakPolarHBondContact CB-O 3.41Å; C14-Y208 WeakPolarHBondContact SG-CB 3.36Å; E204-Y208 HydrophobicContact CB-CE2 4.23Å; E204-Y208 WeakPolarHBondContact O-CD2 3.29Å; E204-Y208 PolarHBondContact O-N 3.47Å; T205-Y208 PolarHBondContact O-N 3.32Å; L206-Y208 VanDerWaalsContact C-N 3.35Å; L206-Y208 PolarHBondContact O-N 3.5Å; Y208-A211 PolarHBondContact O-N 3.25Å; Y208-A212 WeakPolarHBondContact O-CB 3.25Å; Y208-A212 PolarHBondContact O-N 3.35Å
209	L	98.8	Very high	97.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175	-69.7	173.5	0	0	0	111	L11 I125 A128 R129 T205 L206 A211 A212 M213	L11-L209 HydrophobicContact CD2-CD2 4.43Å; I125-L209 HydrophobicContact CG2-CB 4.48Å; I125-L209 HydrophobicContact CG2-CD2 3.87Å; A128-L209 HydrophobicContact CB-CD1 4.36Å; A128-L209 HydrophobicContact CB-CD2 4.07Å; R129-L209 HydrophobicContact CB-CD1 4.08Å; T205-L209 HydrophobicContact CG2-CD1 4Å; T205-L209 HydrophobicContact CG2-CG 4.38Å; T205-L209 WeakPolarHBondContact O-CG 3.26Å; T205-L209 PolarHBondContact O-N 2.99Å; L206-L209 PolarHBondContact O-N 2.8Å; L209-A211 PolarHBondContact O-N 3.2Å; L209-A212 PolarHBondContact O-N 3.22Å; L209-M213 WeakPolarHBondContact O-CB 3.37Å; L209-M213 WeakPolarHBondContact O-CG 3.45Å; L209-M213 PolarHBondContact O-N 3.44Å
210	D	98.6	Very high	97.1	Very high	55 Å²	55	40.5 Å²	40.5	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-42.2	177.5	-72	-24.8	0	0	0	111	R129 L206 A212 M213 N214	R129-D210 WeakPolarHBondContact CD-OD1 3.3Å; R129-D210 IonicContact CZ-OD1 2.77Å; R129-D210 IonicContact NE-OD1 3.59Å; R129-D210 PolarHBondContact NE-OD1 2.84Å; L206-D210 WeakPolarHBondContact O-CB 3.33Å; L206-D210 VanDerWaalsContact O-CG 3.27Å; L206-D210 PolarHBondContact O-N 2.71Å; D210-A212 PolarHBondContact O-N 3.41Å; D210-M213 PolarHBondContact O-N 2.92Å; D210-N214 VanDerWaalsContact O-CB 3.28Å; D210-N214 WeakPolarHBondContact O-CB 3.29Å; D210-N214 PolarHBondContact O-N 3.42Å; D210-N214 PolarHBondContact O-ND2 2.93Å; D210-N214 VanDerWaalsContact O-ND2 3.11Å
211	A	98.6	Very high	97.1	Very high	29 Å²	29	41.6 Å²	41.6	24%	0.24	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-42.5	175.2	0	0	0	0	0	112.7	S207 Y208 L209 T215	S207-A211 WeakPolarHBondContact O-CB 3.09Å; S207-A211 PolarHBondContact O-N 3.06Å; Y208-A211 PolarHBondContact O-N 3.25Å; L209-A211 PolarHBondContact O-N 3.2Å; A211-T215 WeakPolarHBondContact O-CB 3.37Å; A211-T215 PolarHBondContact O-N 3.45Å; A211-T215 PolarHBondContact O-OG1 2.99Å
212	A	98.6	Very high	96.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176.1	0	0	0	0	0	111.8	V7 C10 I125 Y208 L209 D210 T215 L216	V7-A212 HydrophobicContact CG1-CB 4.31Å; C10-A212 HydrophobicContact CB-CB 3.89Å; I125-A212 HydrophobicContact CD1-CB 4.01Å; I125-A212 HydrophobicContact CG2-CB 4.29Å; Y208-A212 WeakPolarHBondContact O-CB 3.25Å; Y208-A212 PolarHBondContact O-N 3.35Å; L209-A212 PolarHBondContact O-N 3.22Å; D210-A212 PolarHBondContact O-N 3.41Å; A212-T215 PolarHBondContact O-N 3.46Å; A212-L216 PolarHBondContact O-N 3.25Å
213	M	98.2	Very high	96.5	Very high	21 Å²	21	49.6 Å²	49.6	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-47.8	176.2	-72.7	-179.5	70.2	0	0	111.5	F122 I125 R126 R129 L209 D210 T215 L216 M217	F122-M213 HydrophobicContact CE1-CE 4.18Å; F122-M213 HydrophobicContact CE2-CB 3.88Å; F122-M213 HydrophobicContact CE2-CE 3.75Å; F122-M213 HydrophobicContact CE2-CG 4.1Å; F122-M213 HydrophobicContact CZ-CE 3.46Å; F122-M213 VanDerWaalsContact CZ-CE 3.46Å; I125-M213 HydrophobicContact CB-CG 4.13Å; I125-M213 HydrophobicContact CG2-CG 3.48Å; I125-M213 VanDerWaalsContact CG2-CG 3.48Å; I125-M213 HydrophobicContact CG2-SD 4.27Å; R126-M213 HydrophobicContact CB-CE 3.91Å; R126-M213 HydrophobicContact CG-CE 4.13Å; R129-M213 HydrophobicContact CB-SD 4.39Å; L209-M213 WeakPolarHBondContact O-CB 3.37Å; L209-M213 WeakPolarHBondContact O-CG 3.45Å; L209-M213 PolarHBondContact O-N 3.44Å; D210-M213 PolarHBondContact O-N 2.92Å; M213-T215 VanDerWaalsContact C-N 3.27Å; M213-T215 PolarHBondContact O-N 2.81Å; M213-L216 PolarHBondContact O-N 3.3Å; M213-M217 HydrophobicContact CB-CE 4.47Å; M213-M217 WeakPolarHBondContact O-CG 3.49Å; M213-M217 PolarHBondContact O-N 3.3Å
214	N	98	Very high	95.9	Very high	96 Å²	96	51.4 Å²	51.4	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-38.5	178.2	-71.9	-26.9	0	0	0	112	D210 M217 Y218	D210-N214 VanDerWaalsContact O-CB 3.28Å; D210-N214 WeakPolarHBondContact O-CB 3.29Å; D210-N214 PolarHBondContact O-N 3.42Å; D210-N214 PolarHBondContact O-ND2 2.93Å; D210-N214 VanDerWaalsContact O-ND2 3.11Å; N214-M217 HydrophobicContact CB-CE 4.46Å; N214-M217 PolarHBondContact O-N 3.14Å; N214-M217 WeakPolarHBondContact OD1-CE 3.31Å; N214-Y218 WeakPolarHBondContact O-CB 3.48Å; N214-Y218 PolarHBondContact O-N 3.44Å
215	T	97.6	Very high	95.3	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-42.7	176.7	-62.3	0	0	0	0	112.2	F3 H6 V7 A211 A212 M213 L219	F3-T215 HydrophobicContact CB-CG2 3.91Å; F3-T215 HydrophobicContact CD1-CG2 3.96Å; F3-T215 HydrophobicContact CG-CG2 4.43Å; F3-T215 WeakPolarHBondContact O-CG2 3.47Å; H6-T215 PolarHBondContact CD2-OG1 2.66Å; H6-T215 VanDerWaalsContact CD2-OG1 3.23Å; V7-T215 HydrophobicContact CG2-CG2 3.76Å; A211-T215 WeakPolarHBondContact O-CB 3.37Å; A211-T215 PolarHBondContact O-N 3.45Å; A211-T215 PolarHBondContact O-OG1 2.99Å; A212-T215 PolarHBondContact O-N 3.46Å; M213-T215 VanDerWaalsContact C-N 3.27Å; M213-T215 PolarHBondContact O-N 2.81Å; T215-L219 WeakPolarHBondContact O-CB 3.17Å; T215-L219 PolarHBondContact O-N 3.23Å
216	L	96.8	Very high	94.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-45.4	175.1	-70.3	177.1	0	0	0	111.8	V7 L118 L121 F122 I125 A212 M213 Y218 L219 M220	V7-L216 HydrophobicContact CG2-CD2 3.98Å; V7-L216 HydrophobicContact CG2-CG 3.93Å; L118-L216 HydrophobicContact CD2-CD2 4.07Å; L121-L216 HydrophobicContact CB-CD1 4.42Å; L121-L216 HydrophobicContact CD2-CD1 4.05Å; L121-L216 HydrophobicContact CD2-CD2 3.96Å; L121-L216 HydrophobicContact CG-CD1 3.85Å; F122-L216 HydrophobicContact CB-CD1 4.13Å; F122-L216 HydrophobicContact CD2-CB 4.1Å; F122-L216 HydrophobicContact CD2-CD1 4.36Å; I125-L216 HydrophobicContact CD1-CD1 3.66Å; A212-L216 PolarHBondContact O-N 3.25Å; M213-L216 PolarHBondContact O-N 3.3Å; L216-Y218 VanDerWaalsContact C-N 3.31Å; L216-Y218 PolarHBondContact O-N 2.81Å; L216-L219 WeakPolarHBondContact O-CB 3.27Å; L216-L219 PolarHBondContact O-N 3.46Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L216-M220 WeakPolarHBondContact O-CG 3.37Å; L216-M220 PolarHBondContact O-N 2.79Å
217	M	95.9	Very high	94	Very high	61 Å²	61	56.7 Å²	56.7	30%	0.3	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.8	-71.5	-174.5	-64.4	0	0	111.7	F122 M213 N214 M220 N221	F122-M217 HydrophobicContact CD2-CG 4.18Å; F122-M217 HydrophobicContact CE2-CE 4.49Å; F122-M217 HydrophobicContact CE2-CG 3.44Å; F122-M217 VanDerWaalsContact CE2-CG 3.44Å; F122-M217 HydrophobicContact CE2-SD 3.87Å; F122-M217 HydrophobicContact CZ-CG 3.96Å; F122-M217 HydrophobicContact CZ-SD 3.91Å; M213-M217 HydrophobicContact CB-CE 4.47Å; M213-M217 WeakPolarHBondContact O-CG 3.49Å; M213-M217 PolarHBondContact O-N 3.3Å; N214-M217 HydrophobicContact CB-CE 4.46Å; N214-M217 PolarHBondContact O-N 3.14Å; N214-M217 WeakPolarHBondContact OD1-CE 3.31Å; M217-M220 PolarHBondContact O-N 3.29Å; M217-N221 WeakPolarHBondContact O-CB 3.25Å; M217-N221 PolarHBondContact O-N 2.86Å; M217-N221 PolarHBondContact O-ND2 2.77Å
218	Y	95.2	Very high	93.8	Very high	120 Å²	120	56.1 Å²	56.1	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-45.6	174.5	174.8	-94.8	0	0	0	111.7	F3 N214 L216 M220 N221 K222	F3-Y218 HydrophobicContact CD1-CD1 4.28Å; F3-Y218 AromaticContact CE1-CD1 3.7Å; F3-Y218 HydrophobicContact CE1-CD1 3.7Å; F3-Y218 AromaticContact CE1-CE1 3.6Å; F3-Y218 HydrophobicContact CE1-CE1 3.6Å; F3-Y218 HydrophobicContact CE2-CE1 4.39Å; F3-Y218 HydrophobicContact CZ-CD1 4.04Å; F3-Y218 AromaticContact CZ-CE1 3.51Å; F3-Y218 HydrophobicContact CZ-CE1 3.51Å; N214-Y218 WeakPolarHBondContact O-CB 3.48Å; N214-Y218 PolarHBondContact O-N 3.44Å; L216-Y218 VanDerWaalsContact C-N 3.31Å; L216-Y218 PolarHBondContact O-N 2.81Å; Y218-M220 PolarHBondContact O-N 2.86Å; Y218-N221 PolarHBondContact O-N 3.45Å; Y218-K222 HydrophobicContact CE1-CD 3.94Å; Y218-K222 VanDerWaalsContact O-CB 3.29Å; Y218-K222 WeakPolarHBondContact O-CB 3.5Å; Y218-K222 PolarHBondContact O-N 2.83Å
219	L	93.1	Very high	93.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-44.9	178.6	-176.5	68.7	0	0	0	111.8	F3 I112 L118 T215 L216 R223	F3-L219 HydrophobicContact CB-CD1 4.43Å; F3-L219 HydrophobicContact CD2-CD1 3.91Å; F3-L219 HydrophobicContact CG-CD1 4.33Å; I112-L219 HydrophobicContact CB-CD1 4.27Å; I112-L219 HydrophobicContact CB-CD2 3.91Å; I112-L219 HydrophobicContact CG2-CD2 3.76Å; L118-L219 HydrophobicContact CD1-CD2 4.05Å; L118-L219 HydrophobicContact CD1-CG 4.35Å; L118-L219 HydrophobicContact CD2-CD2 3.69Å; T215-L219 WeakPolarHBondContact O-CB 3.17Å; T215-L219 PolarHBondContact O-N 3.23Å; L216-L219 WeakPolarHBondContact O-CB 3.27Å; L216-L219 PolarHBondContact O-N 3.46Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L219-R223 VanDerWaalsContact CD1-NE 3.27Å; L219-R223 WeakPolarHBondContact O-CD 3.42Å; L219-R223 VanDerWaalsContact O-CG 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.38Å; L219-R223 PolarHBondContact O-N 2.93Å
220	M	94	Very high	93.2	Very high	3 Å²	3	59 Å²	59	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-44.3	-179.5	-65.9	167.6	77.3	0	0	111.7	L118 F119 L216 M217 Y218 R223 N224 I225 L226	L118-M220 HydrophobicContact CB-CE 4.4Å; L118-M220 HydrophobicContact CB-CG 3.94Å; L118-M220 HydrophobicContact CB-SD 4.1Å; L118-M220 HydrophobicContact CD1-CG 3.75Å; L118-M220 HydrophobicContact CG-CG 4.45Å; F119-M220 HydrophobicContact CD1-CE 3.33Å; F119-M220 HydrophobicContact CD2-CE 4.03Å; F119-M220 HydrophobicContact CE1-CE 3.21Å; F119-M220 HydrophobicContact CE2-CE 3.92Å; F119-M220 HydrophobicContact CG-CE 3.73Å; F119-M220 HydrophobicContact CZ-CE 3.51Å; L216-M220 WeakPolarHBondContact O-CG 3.37Å; L216-M220 PolarHBondContact O-N 2.79Å; M217-M220 PolarHBondContact O-N 3.29Å; Y218-M220 PolarHBondContact O-N 2.86Å; M220-R223 CarbonylContact O-C 3.57Å; M220-R223 PolarHBondContact O-N 2.95Å; M220-N224 PolarHBondContact O-N 2.83Å; M220-I225 HydrophobicContact CB-CB 4.21Å; M220-I225 HydrophobicContact CB-CG2 4.43Å; M220-I225 HydrophobicContact CE-CG2 4.13Å; M220-I225 HydrophobicContact CG-CG2 4.43Å; M220-I225 PolarHBondContact O-N 3.05Å; M220-L226 HydrophobicContact CB-CD1 4.48Å; M220-L226 HydrophobicContact CB-CD2 4.36Å; M220-L226 HydrophobicContact CB-CG 3.98Å; M220-L226 HydrophobicContact CE-CD2 3.59Å; M220-L226 HydrophobicContact CE-CG 4.43Å
221	N	93.9	Very high	92.9	Very high	92 Å²	92	59.3 Å²	59.3	49%	0.492	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-47.9	174.6	-84.1	-48.6	0	0	0	112.1	M217 Y218 R223 N224 L226	M217-N221 WeakPolarHBondContact O-CB 3.25Å; M217-N221 PolarHBondContact O-N 2.86Å; M217-N221 PolarHBondContact O-ND2 2.77Å; Y218-N221 PolarHBondContact O-N 3.45Å; N221-R223 PolarHBondContact O-N 2.97Å; N221-N224 PolarHBondContact O-N 3.16Å; N221-L226 WeakPolarHBondContact OD1-CD1 3.44Å
222	K	91.1	Very high	92.5	Very high	133 Å²	133	61.3 Å²	61.3	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-59.3	-21.3	-179.9	-175	171.3	-176.8	171.8	0	112.9	Y218	Y218-K222 HydrophobicContact CE1-CD 3.94Å; Y218-K222 VanDerWaalsContact O-CB 3.29Å; Y218-K222 WeakPolarHBondContact O-CB 3.5Å; Y218-K222 PolarHBondContact O-N 2.83Å
223	R	88.4	Confident	92.1	Very high	64 Å²	64	65.6 Å²	65.6	24%	0.242	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	5.1	-176.7	-66.7	171	178.5	-103.9	-26.8	113.2	I112 E113 L219 M220 N221 I225	I112-R223 WeakPolarHBondContact O-CD 3.26Å; I112-R223 PolarHBondContact O-NE 3.19Å; I112-R223 PolarHBondContact O-NH1 3.37Å; E113-R223 VanDerWaalsContact CG-NH1 3.28Å; E113-R223 VanDerWaalsContact N-NH1 3.12Å; E113-R223 IonicContact OE1-CZ 3.25Å; E113-R223 VanDerWaalsContact OE1-CZ 3.25Å; E113-R223 IonicContact OE1-NH1 2.63Å; E113-R223 PolarHBondContact OE1-NH1 2.91Å; E113-R223 IonicContact OE1-NH2 3.33Å; E113-R223 PolarHBondContact OE1-NH2 3.03Å; E113-R223 IonicContact OE2-CZ 3.82Å; E113-R223 IonicContact OE2-NH1 3Å; E113-R223 PolarHBondContact OE2-NH1 3.21Å; L219-R223 VanDerWaalsContact CD1-NE 3.27Å; L219-R223 WeakPolarHBondContact O-CD 3.42Å; L219-R223 VanDerWaalsContact O-CG 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.38Å; L219-R223 PolarHBondContact O-N 2.93Å; M220-R223 CarbonylContact O-C 3.57Å; M220-R223 PolarHBondContact O-N 2.95Å; N221-R223 PolarHBondContact O-N 2.97Å; R223-I225 HydrophobicContact CB-CD1 3.71Å; R223-I225 HydrophobicContact CB-CG1 3.79Å; R223-I225 PolarHBondContact O-N 2.88Å
224	N	86.8	Confident	91.6	Very high	144 Å²	144	69.1 Å²	69.1	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	40	-175.7	-54.1	-46.1	0	0	0	112.7	M220 N221	M220-N224 PolarHBondContact O-N 2.83Å; N221-N224 PolarHBondContact O-N 3.16Å
225	I	83.2	Confident	91	Very high	27 Å²	27	66.8 Å²	66.8	14%	0.138	32%	0.321	C	S	.	.			trans	-87.4	-27.5	178.5	-68.7	175	0	0	0	111.5	P115 L118 F119 M220 R223	P115-I225 HydrophobicContact CB-CG2 3.72Å; P115-I225 HydrophobicContact CG-CD1 4.4Å; P115-I225 HydrophobicContact CG-CG1 4.3Å; P115-I225 HydrophobicContact CG-CG2 4.13Å; L118-I225 HydrophobicContact CD1-CD1 3.65Å; F119-I225 HydrophobicContact CD2-CG2 4.34Å; F119-I225 HydrophobicContact CE2-CG2 3.59Å; F119-I225 HydrophobicContact CZ-CG2 4.06Å; M220-I225 HydrophobicContact CB-CB 4.21Å; M220-I225 HydrophobicContact CB-CG2 4.43Å; M220-I225 HydrophobicContact CE-CG2 4.13Å; M220-I225 HydrophobicContact CG-CG2 4.43Å; M220-I225 PolarHBondContact O-N 3.05Å; R223-I225 HydrophobicContact CB-CD1 3.71Å; R223-I225 HydrophobicContact CB-CG1 3.79Å; R223-I225 PolarHBondContact O-N 2.88Å
226	L	76.8	Confident	90.5	Very high	133 Å²	133	71 Å²	71	70%	0.696	34%	0.338	S	S	*	.			trans	-80.4	0	170.7	-63	-176.6	0	0	0	110.1	F119 M220 N221	F119-L226 HydrophobicContact CE1-CD2 3.71Å; F119-L226 HydrophobicContact CZ-CD2 3.88Å; M220-L226 HydrophobicContact CB-CD1 4.48Å; M220-L226 HydrophobicContact CB-CD2 4.36Å; M220-L226 HydrophobicContact CB-CG 3.98Å; M220-L226 HydrophobicContact CE-CD2 3.59Å; M220-L226 HydrophobicContact CE-CG 4.43Å; N221-L226 WeakPolarHBondContact OD1-CD1 3.44Å

Retrieved 226 of 226 residues in 553.6 ms (Link to these results)

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