G4VFD7_SCHMA Loading...

Dihydroorotate dehydrogenase (quinone), mitochondrial

AlphaFold DB , UniProt , Accession G4VFD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.5	Low	76.2	Confident	209 Å²	209	123.5 Å²	123.5	100%	1.03	62%	0.623	S	S	*	*				0	-44.9	0	-71.7	179.1	-173.4	0	0	113.4	R3 I4 R5	M1-R3 PolarHBondContact O-N 3.32Å; M1-I4 PolarHBondContact O-N 2.87Å; M1-R5 PolarHBondContact O-N 3.34Å; M1-R5 VanDerWaalsContact O-N 3.14Å
2	S	79.1	Confident	76.8	Confident	92 Å²	92	119.9 Å²	119.9	64%	0.643	62%	0.618	S	S	*	*	H	α-helix	trans	-59	-47.3	-178.6	64.8	0	0	0	0	114.1	I4 R5 T6	S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.48Å; S2-R5 PolarHBondContact O-N 2.91Å; S2-R5 VanDerWaalsContact O-N 3.14Å; S2-T6 PolarHBondContact O-N 3.46Å; S2-T6 PolarHBondContact O-OG1 3.01Å; S2-T6 VanDerWaalsContact O-OG1 3.13Å
3	R	74.2	Confident	77.3	Confident	213 Å²	213	119.7 Å²	119.7	80%	0.804	62%	0.617	S	S	*	*	H	α-helix	trans	-57.7	-42.3	178.1	-71.5	-172.4	178.5	-176.5	-0.3	113	M1 T6 S7	M1-R3 PolarHBondContact O-N 3.32Å; R3-T6 PolarHBondContact O-N 3.34Å; R3-S7 WeakPolarHBondContact O-CB 3.4Å; R3-S7 PolarHBondContact O-N 3.45Å; R3-S7 PolarHBondContact O-OG 3.49Å
4	I	78.4	Confident	77.8	Confident	114 Å²	114	113.9 Å²	113.9	59%	0.585	60%	0.602	S	S	*	*	H	α-helix	trans	-64.1	-43.2	178.1	-63.8	172.6	0	0	0	110.3	M1 S2 S7 L8	M1-I4 PolarHBondContact O-N 2.87Å; S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.48Å; I4-S7 PolarHBondContact O-N 2.91Å; I4-L8 HydrophobicContact CG2-CD1 3.88Å; I4-L8 HydrophobicContact CG2-CG 4.44Å; I4-L8 WeakPolarHBondContact O-CB 3.35Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 3.41Å
5	R	73.3	Confident	78.3	Confident	168 Å²	168	115.6 Å²	115.6	63%	0.634	60%	0.602	S	S	*	*	H	α-helix	trans	-63.4	-47.3	177.4	-174.7	177.8	173.2	166.9	3.7	111.8	M1 S2 S7 L8 E9	M1-R5 PolarHBondContact O-N 3.34Å; M1-R5 VanDerWaalsContact O-N 3.14Å; S2-R5 PolarHBondContact O-N 2.91Å; S2-R5 VanDerWaalsContact O-N 3.14Å; R5-S7 PolarHBondContact O-N 3.46Å; R5-L8 PolarHBondContact O-N 3.46Å; R5-E9 WeakPolarHBondContact CG-OE1 3.29Å; R5-E9 IonicContact CZ-OE1 2.95Å; R5-E9 IonicContact NE-OE1 3.79Å; R5-E9 PolarHBondContact NE-OE1 3.45Å; R5-E9 IonicContact NH2-OE1 3.9Å; R5-E9 WeakPolarHBondContact O-CB 3.49Å; R5-E9 WeakPolarHBondContact O-CG 3.17Å; R5-E9 PolarHBondContact O-N 2.89Å
6	T	79.3	Confident	78.9	Confident	76 Å²	76	110.8 Å²	110.8	47%	0.466	59%	0.589	S	S	.	*	H	α-helix	trans	-62.6	-41.9	176.5	-53.3	0	0	0	0	111.7	S2 R3 E9 V10	S2-T6 PolarHBondContact O-N 3.46Å; S2-T6 PolarHBondContact O-OG1 3.01Å; S2-T6 VanDerWaalsContact O-OG1 3.13Å; R3-T6 PolarHBondContact O-N 3.34Å; T6-E9 PolarHBondContact O-N 3.13Å; T6-V10 HydrophobicContact CG2-CG2 4.43Å; T6-V10 WeakPolarHBondContact O-CB 3.46Å; T6-V10 VanDerWaalsContact O-CG2 3.29Å; T6-V10 WeakPolarHBondContact O-CG2 3.29Å; T6-V10 PolarHBondContact O-N 3.47Å
7	S	79.1	Confident	79.5	Confident	66 Å²	66	110.9 Å²	110.9	46%	0.462	59%	0.59	S	S	.	*	H	α-helix	trans	-62.2	-43	174.5	-65.7	0	0	0	0	111.9	R3 I4 R5 V10 L11	R3-S7 WeakPolarHBondContact O-CB 3.4Å; R3-S7 PolarHBondContact O-N 3.45Å; R3-S7 PolarHBondContact O-OG 3.49Å; I4-S7 PolarHBondContact O-N 2.91Å; R5-S7 PolarHBondContact O-N 3.46Å; S7-V10 PolarHBondContact O-N 2.93Å; S7-L11 VanDerWaalsContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CG 3.4Å; S7-L11 PolarHBondContact O-N 3.49Å
8	L	77.5	Confident	80.2	Confident	103 Å²	103	111.4 Å²	111.4	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-62.4	-42.9	175.2	-77.1	165.9	0	0	0	111.8	I4 R5 S12	I4-L8 HydrophobicContact CG2-CD1 3.88Å; I4-L8 HydrophobicContact CG2-CG 4.44Å; I4-L8 WeakPolarHBondContact O-CB 3.35Å; I4-L8 VanDerWaalsContact O-CG 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.35Å; I4-L8 PolarHBondContact O-N 3.41Å; R5-L8 PolarHBondContact O-N 3.46Å; L8-S12 VanDerWaalsContact O-CB 3.26Å; L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 2.9Å; L8-S12 PolarHBondContact O-OG 3.34Å
9	E	76.2	Confident	80.7	Confident	99 Å²	99	107.3 Å²	107.3	46%	0.463	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-47.4	176.9	-74	166.3	-177.3	0	0	111.3	R5 T6 S12 L13	R5-E9 WeakPolarHBondContact CG-OE1 3.29Å; R5-E9 IonicContact CZ-OE1 2.95Å; R5-E9 IonicContact NE-OE1 3.79Å; R5-E9 PolarHBondContact NE-OE1 3.45Å; R5-E9 IonicContact NH2-OE1 3.9Å; R5-E9 WeakPolarHBondContact O-CB 3.49Å; R5-E9 WeakPolarHBondContact O-CG 3.17Å; R5-E9 PolarHBondContact O-N 2.89Å; T6-E9 PolarHBondContact O-N 3.13Å; E9-S12 PolarHBondContact O-N 3.47Å; E9-L13 WeakPolarHBondContact O-CB 3.35Å; E9-L13 PolarHBondContact O-N 2.88Å
10	V	78.9	Confident	81.2	Confident	96 Å²	96	104.8 Å²	104.8	58%	0.582	56%	0.561	S	S	*	*	H	α-helix	trans	-64.3	-43.4	178	172.5	0	0	0	0	111.6	T6 S7 L13 G14	T6-V10 HydrophobicContact CG2-CG2 4.43Å; T6-V10 WeakPolarHBondContact O-CB 3.46Å; T6-V10 VanDerWaalsContact O-CG2 3.29Å; T6-V10 WeakPolarHBondContact O-CG2 3.29Å; T6-V10 PolarHBondContact O-N 3.47Å; S7-V10 PolarHBondContact O-N 2.93Å; V10-L13 PolarHBondContact O-N 2.91Å; V10-G14 PolarHBondContact O-N 3.14Å
11	L	82.1	Confident	81.8	Confident	123 Å²	123	105 Å²	105	64%	0.644	56%	0.559	S	S	*	*	H	α-helix	trans	-65.1	-39.8	176.7	-72.5	170.4	0	0	0	111.8	S7 G14 F15	S7-L11 VanDerWaalsContact O-CB 3.29Å; S7-L11 WeakPolarHBondContact O-CB 3.3Å; S7-L11 WeakPolarHBondContact O-CG 3.4Å; S7-L11 PolarHBondContact O-N 3.49Å; L11-G14 PolarHBondContact O-N 2.88Å; L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 3.24Å
12	S	82.4	Confident	83.4	Confident	80 Å²	80	95.2 Å²	95.2	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-42.9	177.8	-58.3	0	0	0	0	111.6	L8 E9 F15 G16	L8-S12 VanDerWaalsContact O-CB 3.26Å; L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 2.9Å; L8-S12 PolarHBondContact O-OG 3.34Å; E9-S12 PolarHBondContact O-N 3.47Å; S12-F15 PolarHBondContact O-N 2.91Å; S12-G16 PolarHBondContact O-N 2.93Å
13	L	83.9	Confident	84	Confident	117 Å²	117	92.8 Å²	92.8	61%	0.613	49%	0.49	S	S	*	.	H	α-helix	trans	-64.1	-45.6	175.5	-175.4	66.5	0	0	0	111.2	E9 V10 F15 G16 L17	E9-L13 WeakPolarHBondContact O-CB 3.35Å; E9-L13 PolarHBondContact O-N 2.88Å; V10-L13 PolarHBondContact O-N 2.91Å; L13-F15 PolarHBondContact O-N 3Å; L13-G16 PolarHBondContact O-N 3.24Å; L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.14Å
14	G	84.4	Confident	84.9	Confident	39 Å²	39	91.2 Å²	91.2	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-43.4	176.9	0	0	0	0	0	112.5	V10 L11 L17 F18	V10-G14 PolarHBondContact O-N 3.14Å; L11-G14 PolarHBondContact O-N 2.88Å; G14-L17 PolarHBondContact O-N 2.88Å; G14-F18 WeakPolarHBondContact O-CB 3.5Å; G14-F18 PolarHBondContact O-N 3.23Å
15	F	85.4	Confident	85.6	Confident	139 Å²	139	87.7 Å²	87.7	61%	0.61	47%	0.471	S	S	*	.	H	α-helix	trans	-65.1	-40.4	175.3	-177.3	-100.2	0	0	0	112.5	L11 S12 L13 F18 T19	L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 3.24Å; S12-F15 PolarHBondContact O-N 2.91Å; L13-F15 PolarHBondContact O-N 3Å; F15-F18 PolarHBondContact O-N 3.32Å; F15-T19 WeakPolarHBondContact O-CB 3.29Å; F15-T19 PolarHBondContact O-N 2.92Å; F15-T19 PolarHBondContact O-OG1 3.33Å
16	G	88	Confident	86.5	Confident	38 Å²	38	79.8 Å²	79.8	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-47.9	175.4	0	0	0	0	0	112.5	S12 L13 T19 A20	S12-G16 PolarHBondContact O-N 2.93Å; L13-G16 PolarHBondContact O-N 3.24Å; G16-T19 PolarHBondContact O-N 3.28Å; G16-A20 WeakPolarHBondContact O-CB 3.3Å; G16-A20 PolarHBondContact O-N 3.09Å
17	L	89.6	Confident	87.3	Confident	114 Å²	114	79.3 Å²	79.3	60%	0.597	44%	0.436	S	S	*	.	H	α-helix	trans	-63.7	-44.2	176.4	-72.1	172.5	0	0	0	112	L13 G14 T19 A20 E21	L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 3.14Å; G14-L17 PolarHBondContact O-N 2.88Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 3.36Å; L17-A20 PolarHBondContact O-N 3.34Å; L17-E21 WeakPolarHBondContact O-CB 3.43Å; L17-E21 PolarHBondContact O-N 3.48Å
18	F	90.7	Very high	88.1	Confident	120 Å²	120	78.2 Å²	78.2	53%	0.526	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-44.1	175.3	173.9	-98.7	0	0	0	111.8	G14 F15 E21 A22 F30	G14-F18 WeakPolarHBondContact O-CB 3.5Å; G14-F18 PolarHBondContact O-N 3.23Å; F15-F18 PolarHBondContact O-N 3.32Å; F18-E21 PolarHBondContact O-N 2.93Å; F18-A22 WeakPolarHBondContact O-CB 3.5Å; F18-A22 PolarHBondContact O-N 3.2Å; F18-F30 HydrophobicContact CD1-CE2 4.43Å; F18-F30 AromaticContact CE1-CD2 3.86Å; F18-F30 HydrophobicContact CE1-CD2 3.86Å; F18-F30 AromaticContact CE1-CE2 3.93Å; F18-F30 HydrophobicContact CE1-CE2 3.93Å; F18-F30 HydrophobicContact CZ-CD2 4.45Å
19	T	90.7	Very high	89	Confident	33 Å²	33	79.5 Å²	79.5	20%	0.202	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-46.6	177.4	-63.9	0	0	0	0	111.2	F15 G16 L17 A22 L23 F30	F15-T19 WeakPolarHBondContact O-CB 3.29Å; F15-T19 PolarHBondContact O-N 2.92Å; F15-T19 PolarHBondContact O-OG1 3.33Å; G16-T19 PolarHBondContact O-N 3.28Å; L17-T19 VanDerWaalsContact C-N 3.34Å; L17-T19 PolarHBondContact O-N 3.36Å; T19-A22 PolarHBondContact O-N 3.36Å; T19-L23 HydrophobicContact CG2-CD1 4.05Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 VanDerWaalsContact O-CG 3.27Å; T19-L23 WeakPolarHBondContact O-CG 3.47Å; T19-L23 PolarHBondContact O-N 3.13Å; T19-F30 HydrophobicContact CG2-CE1 4.2Å; T19-F30 HydrophobicContact CG2-CZ 3.81Å
20	A	90.9	Very high	89.9	Confident	56 Å²	56	75.7 Å²	75.7	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-46.4	177.9	0	0	0	0	0	111.4	G16 L17 L23 Y24	G16-A20 WeakPolarHBondContact O-CB 3.3Å; G16-A20 PolarHBondContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 3.34Å; A20-L23 PolarHBondContact O-N 3.23Å; A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.81Å
21	E	93.3	Very high	90.8	Very high	110 Å²	110	71.8 Å²	71.8	51%	0.514	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-42	177.8	179.5	54.3	-152.9	0	0	112	L17 F18 L23 Y24 S25	L17-E21 WeakPolarHBondContact O-CB 3.43Å; L17-E21 PolarHBondContact O-N 3.48Å; F18-E21 PolarHBondContact O-N 2.93Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.28Å; E21-Y24 PolarHBondContact O-N 3.04Å; E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.38Å; E21-S25 PolarHBondContact O-OG 2.76Å
22	A	93.4	Very high	91.4	Very high	3 Å²	3	69.9 Å²	69.9	3%	0.025	37%	0.37	C	S	.	.	H	α-helix	trans	-66.3	-36	179.2	0	0	0	0	0	112.3	F18 T19 S25 G26 N27 F30	F18-A22 WeakPolarHBondContact O-CB 3.5Å; F18-A22 PolarHBondContact O-N 3.2Å; T19-A22 PolarHBondContact O-N 3.36Å; A22-S25 PolarHBondContact O-OG 3.06Å; A22-G26 PolarHBondContact O-N 3.07Å; A22-N27 HydrophobicContact CB-CB 4.13Å; A22-N27 PolarHBondContact O-N 2.73Å; A22-F30 HydrophobicContact CB-CB 3.79Å; A22-F30 HydrophobicContact CB-CD1 3.43Å; A22-F30 VanDerWaalsContact CB-CD1 3.43Å; A22-F30 HydrophobicContact CB-CD2 3.92Å; A22-F30 HydrophobicContact CB-CE1 3.96Å; A22-F30 HydrophobicContact CB-CE2 4.39Å; A22-F30 HydrophobicContact CB-CG 3.41Å; A22-F30 VanDerWaalsContact CB-CG 3.41Å; A22-F30 HydrophobicContact CB-CZ 4.41Å
23	L	92.5	Very high	92.1	Very high	42 Å²	42	69.7 Å²	69.7	22%	0.22	36%	0.363	C	S	.	.	H	α-helix	trans	-67.7	-49.4	171.3	-70.3	173.4	0	0	0	111.3	T19 A20 E21 G26 F30 Y31 F35	T19-L23 HydrophobicContact CG2-CD1 4.05Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 VanDerWaalsContact O-CG 3.27Å; T19-L23 WeakPolarHBondContact O-CG 3.47Å; T19-L23 PolarHBondContact O-N 3.13Å; A20-L23 PolarHBondContact O-N 3.23Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.28Å; L23-G26 PolarHBondContact O-N 2.68Å; L23-F30 HydrophobicContact CD2-CD1 4.31Å; L23-F30 HydrophobicContact CD2-CE1 3.95Å; L23-F30 HydrophobicContact CG-CD1 4.48Å; L23-F30 HydrophobicContact CG-CE1 3.93Å; L23-Y31 HydrophobicContact CD2-CE1 4.03Å; L23-Y31 HydrophobicContact CD2-CE2 4.02Å; L23-Y31 PolarHBondContact O-OH 3.21Å; L23-F35 HydrophobicContact CD1-CD2 4.42Å; L23-F35 HydrophobicContact CD1-CE2 4.2Å; L23-F35 HydrophobicContact CD2-CB 4.28Å; L23-F35 HydrophobicContact CD2-CD1 3.79Å; L23-F35 HydrophobicContact CD2-CD2 3.65Å; L23-F35 HydrophobicContact CD2-CE1 3.96Å; L23-F35 HydrophobicContact CD2-CE2 3.82Å; L23-F35 HydrophobicContact CD2-CG 3.62Å; L23-F35 HydrophobicContact CD2-CZ 3.97Å
24	Y	92.8	Very high	92.6	Very high	180 Å²	180	72.6 Å²	72.6	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-63.1	-48	-177.5	177.3	-104.5	0	0	0	112.6	A20 E21 G26 P63	A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.81Å; E21-Y24 PolarHBondContact O-N 3.04Å; Y24-G26 PolarHBondContact O-N 3.42Å; Y24-P63 WeakPolarHBondContact O-CB 3.26Å
25	S	92.5	Very high	93.2	Very high	39 Å²	39	74.2 Å²	74.2	27%	0.273	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.7	177.9	64.5	0	0	0	0	113	E21 A22 K65	E21-S25 WeakPolarHBondContact O-CB 3.35Å; E21-S25 PolarHBondContact O-N 3.38Å; E21-S25 PolarHBondContact O-OG 2.76Å; A22-S25 PolarHBondContact O-OG 3.06Å; S25-K65 VanDerWaalsContact O-CE 3.26Å; S25-K65 WeakPolarHBondContact O-CE 3.3Å; S25-K65 PolarHBondContact O-NZ 2.95Å
26	G	93.7	Very high	93.7	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.021	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	46.4	-174.3	0	0	0	0	0	112.2	A22 L23 Y24 E28 P363	A22-G26 PolarHBondContact O-N 3.07Å; L23-G26 PolarHBondContact O-N 2.68Å; Y24-G26 PolarHBondContact O-N 3.42Å; G26-E28 PolarHBondContact O-N 3.22Å; G26-P363 VanDerWaalsContact C-CG 3.5Å; G26-P363 WeakPolarHBondContact O-CB 3.33Å; G26-P363 WeakPolarHBondContact O-CG 3.23Å
27	N	95.6	Very high	94	Very high	66 Å²	66	68.8 Å²	68.8	35%	0.353	33%	0.333	S	S	.	.			trans	-65.6	114.2	178.3	-177.8	-62.1	0	0	0	110.5	A22 H29 F30 Y31	A22-N27 HydrophobicContact CB-CB 4.13Å; A22-N27 PolarHBondContact O-N 2.73Å; N27-H29 PolarHBondContact O-N 2.93Å; N27-H29 PolarHBondContact OD1-N 3.09Å; N27-F30 HydrophobicContact CB-CB 3.89Å; N27-F30 PolarHBondContact O-N 3.35Å; N27-F30 WeakPolarHBondContact OD1-CB 3.19Å; N27-F30 PolarHBondContact OD1-N 3.46Å; N27-Y31 WeakPolarHBondContact O-CD2 3.18Å; N27-Y31 PolarHBondContact O-N 3.44Å
28	E	95.7	Very high	94.3	Very high	43 Å²	43	66.9 Å²	66.9	20%	0.201	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-45	-171.6	-69	163.7	-150.8	0	0	113.2	G26 Y31 K32 P363 K367 R370	G26-E28 PolarHBondContact O-N 3.22Å; E28-Y31 PolarHBondContact O-N 2.79Å; E28-K32 VanDerWaalsContact O-CB 3.29Å; E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 PolarHBondContact O-N 2.89Å; E28-P363 HydrophobicContact CG-CB 3.63Å; E28-K367 HydrophobicContact CG-CB 4.32Å; E28-K367 WeakPolarHBondContact OE2-CG 3.49Å; E28-R370 IonicContact OE1-CZ 3Å; E28-R370 IonicContact OE1-NH1 2.81Å; E28-R370 PolarHBondContact OE1-NH1 3.39Å; E28-R370 IonicContact OE1-NH2 3.9Å; E28-R370 PolarHBondContact OE1-NH2 3.1Å; E28-R370 IonicContact OE2-CZ 3.88Å; E28-R370 IonicContact OE2-NH2 3.17Å; E28-R370 PolarHBondContact OE2-NH2 3.09Å
29	H	95.8	Very high	94.5	Very high	131 Å²	131	62.6 Å²	62.6	61%	0.606	31%	0.313	S	S	*	.	H	α-helix	trans	-67.2	-42.9	178.4	-73.1	-62.4	0	0	0	111.5	N27 Y31 K32 D33	N27-H29 PolarHBondContact O-N 2.93Å; N27-H29 PolarHBondContact OD1-N 3.09Å; H29-Y31 VanDerWaalsContact C-N 3.35Å; H29-Y31 PolarHBondContact O-N 2.64Å; H29-K32 PolarHBondContact O-N 3.45Å; H29-D33 IonicContact CG-OD2 3.84Å; H29-D33 IonicContact ND1-OD2 2.77Å; H29-D33 PolarHBondContact ND1-OD2 3.19Å; H29-D33 WeakPolarHBondContact O-CA 3.38Å; H29-D33 WeakPolarHBondContact O-CB 3.42Å; H29-D33 PolarHBondContact O-N 2.7Å
30	F	96.4	Very high	94.7	Very high	19 Å²	19	62.8 Å²	62.8	8%	0.083	31%	0.31	C	S	.	.	I	π-helix	trans	-61.2	-44.7	176.6	-173.1	-102.1	0	0	0	111.7	F18 T19 A22 L23 N27 W34 F35	F18-F30 HydrophobicContact CD1-CE2 4.43Å; F18-F30 AromaticContact CE1-CD2 3.86Å; F18-F30 HydrophobicContact CE1-CD2 3.86Å; F18-F30 AromaticContact CE1-CE2 3.93Å; F18-F30 HydrophobicContact CE1-CE2 3.93Å; F18-F30 HydrophobicContact CZ-CD2 4.45Å; T19-F30 HydrophobicContact CG2-CE1 4.2Å; T19-F30 HydrophobicContact CG2-CZ 3.81Å; A22-F30 HydrophobicContact CB-CB 3.79Å; A22-F30 HydrophobicContact CB-CD1 3.43Å; A22-F30 VanDerWaalsContact CB-CD1 3.43Å; A22-F30 HydrophobicContact CB-CD2 3.92Å; A22-F30 HydrophobicContact CB-CE1 3.96Å; A22-F30 HydrophobicContact CB-CE2 4.39Å; A22-F30 HydrophobicContact CB-CG 3.41Å; A22-F30 VanDerWaalsContact CB-CG 3.41Å; A22-F30 HydrophobicContact CB-CZ 4.41Å; L23-F30 HydrophobicContact CD2-CD1 4.31Å; L23-F30 HydrophobicContact CD2-CE1 3.95Å; L23-F30 HydrophobicContact CG-CD1 4.48Å; L23-F30 HydrophobicContact CG-CE1 3.93Å; N27-F30 HydrophobicContact CB-CB 3.89Å; N27-F30 PolarHBondContact O-N 3.35Å; N27-F30 WeakPolarHBondContact OD1-CB 3.19Å; N27-F30 PolarHBondContact OD1-N 3.46Å; F30-W34 HydrophobicContact CD2-CB 4.13Å; F30-W34 HydrophobicContact CE2-CB 4.17Å; F30-W34 WeakPolarHBondContact O-CB 3.37Å; F30-W34 PolarHBondContact O-N 3.39Å; F30-W34 VanDerWaalsContact O-N 3.15Å; F30-F35 HydrophobicContact CD1-CB 4.08Å; F30-F35 HydrophobicContact CE1-CB 3.83Å; F30-F35 PolarHBondContact O-N 2.82Å
31	Y	96.6	Very high	94.8	Very high	13 Å²	13	66 Å²	66	5%	0.051	32%	0.319	C	S	.	.	I	π-helix	trans	-61.5	-53.6	176.7	-93.6	-86.1	0	0	0	112.3	L23 N27 E28 H29 F35 L36 P63 Q360 P362 P363	L23-Y31 HydrophobicContact CD2-CE1 4.03Å; L23-Y31 HydrophobicContact CD2-CE2 4.02Å; L23-Y31 PolarHBondContact O-OH 3.21Å; N27-Y31 WeakPolarHBondContact O-CD2 3.18Å; N27-Y31 PolarHBondContact O-N 3.44Å; E28-Y31 PolarHBondContact O-N 2.79Å; H29-Y31 VanDerWaalsContact C-N 3.35Å; H29-Y31 PolarHBondContact O-N 2.64Å; Y31-F35 AromaticContact CD1-CD1 3.73Å; Y31-F35 HydrophobicContact CD1-CD1 3.73Å; Y31-F35 HydrophobicContact CD1-CE1 4.31Å; Y31-F35 AromaticContact CE1-CD1 3.72Å; Y31-F35 HydrophobicContact CE1-CD1 3.72Å; Y31-F35 AromaticContact CE1-CE1 3.9Å; Y31-F35 HydrophobicContact CE1-CE1 3.9Å; Y31-L36 HydrophobicContact CD1-CG 4.34Å; Y31-L36 VanDerWaalsContact O-CB 3.26Å; Y31-L36 WeakPolarHBondContact O-CB 3.45Å; Y31-L36 VanDerWaalsContact O-CG 3.28Å; Y31-L36 WeakPolarHBondContact O-CG 3.33Å; Y31-L36 PolarHBondContact O-N 3.32Å; Y31-P63 HydrophobicContact CE2-CG 4.11Å; Y31-P63 VanDerWaalsContact OH-CD 3.28Å; Y31-P63 WeakPolarHBondContact OH-CD 3.35Å; Y31-Q360 WeakPolarHBondContact CB-O 3.35Å; Y31-P362 HydrophobicContact CE1-CG 4.46Å; Y31-P363 HydrophobicContact CD2-CG 3.67Å; Y31-P363 HydrophobicContact CE2-CG 4.11Å; Y31-P363 HydrophobicContact CG-CG 4.07Å
32	K	95.9	Very high	94.9	Very high	83 Å²	83	67.4 Å²	67.4	36%	0.361	33%	0.329	S	S	.	.	I	π-helix	trans	-69.9	-44.9	-173.8	-176.6	-173.5	171.4	-172.3	0	112.6	E28 H29 P37 Q360	E28-K32 VanDerWaalsContact O-CB 3.29Å; E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 PolarHBondContact O-N 2.89Å; H29-K32 PolarHBondContact O-N 3.45Å; K32-P37 WeakPolarHBondContact O-CD 3.47Å; K32-P37 WeakPolarHBondContact O-CG 3.3Å; K32-Q360 HydrophobicContact CD-CG 4.25Å; K32-Q360 HydrophobicContact CG-CG 4.21Å
33	D	95.9	Very high	94.9	Very high	77 Å²	77	69.1 Å²	69.1	41%	0.412	34%	0.339	S	S	.	.	I	π-helix	trans	-98.5	-20	-164.3	-52.2	-36.9	0	0	0	112.5	H29	H29-D33 IonicContact CG-OD2 3.84Å; H29-D33 IonicContact ND1-OD2 2.77Å; H29-D33 PolarHBondContact ND1-OD2 3.19Å; H29-D33 WeakPolarHBondContact O-CA 3.38Å; H29-D33 WeakPolarHBondContact O-CB 3.42Å; H29-D33 PolarHBondContact O-N 2.7Å
34	W	95.1	Very high	94.9	Very high	177 Å²	177	77 Å²	77	67%	0.67	37%	0.366	S	S	*	.	I	π-helix	trans	-125.8	-62.3	-177.4	-70.9	94.9	0	0	0	114	F30 T38	F30-W34 HydrophobicContact CD2-CB 4.13Å; F30-W34 HydrophobicContact CE2-CB 4.17Å; F30-W34 WeakPolarHBondContact O-CB 3.37Å; F30-W34 PolarHBondContact O-N 3.39Å; F30-W34 VanDerWaalsContact O-N 3.15Å; W34-T38 WeakPolarHBondContact O-CB 3.48Å; W34-T38 PolarHBondContact O-N 2.89Å; W34-T38 VanDerWaalsContact O-N 3.09Å; W34-T38 PolarHBondContact O-OG1 3.44Å
35	F	96	Very high	95	Very high	74 Å²	74	71.4 Å²	71.4	33%	0.325	35%	0.348	S	S	.	.	I	π-helix	trans	-64.6	-54.6	-170.1	174.8	-109.2	0	0	0	112	L23 F30 Y31 T38 A39	L23-F35 HydrophobicContact CD1-CD2 4.42Å; L23-F35 HydrophobicContact CD1-CE2 4.2Å; L23-F35 HydrophobicContact CD2-CB 4.28Å; L23-F35 HydrophobicContact CD2-CD1 3.79Å; L23-F35 HydrophobicContact CD2-CD2 3.65Å; L23-F35 HydrophobicContact CD2-CE1 3.96Å; L23-F35 HydrophobicContact CD2-CE2 3.82Å; L23-F35 HydrophobicContact CD2-CG 3.62Å; L23-F35 HydrophobicContact CD2-CZ 3.97Å; F30-F35 HydrophobicContact CD1-CB 4.08Å; F30-F35 HydrophobicContact CE1-CB 3.83Å; F30-F35 PolarHBondContact O-N 2.82Å; Y31-F35 AromaticContact CD1-CD1 3.73Å; Y31-F35 HydrophobicContact CD1-CD1 3.73Å; Y31-F35 HydrophobicContact CD1-CE1 4.31Å; Y31-F35 AromaticContact CE1-CD1 3.72Å; Y31-F35 HydrophobicContact CE1-CD1 3.72Å; Y31-F35 AromaticContact CE1-CE1 3.9Å; Y31-F35 HydrophobicContact CE1-CE1 3.9Å; F35-T38 PolarHBondContact O-N 3.35Å; F35-A39 WeakPolarHBondContact O-CB 3.27Å; F35-A39 PolarHBondContact O-N 2.88Å
36	L	96.1	Very high	95.1	Very high	25 Å²	25	70 Å²	70	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-44.1	-177.7	-65.8	174.7	0	0	0	112.7	Y31 T38 A39 R40 Y359 Q360	Y31-L36 HydrophobicContact CD1-CG 4.34Å; Y31-L36 VanDerWaalsContact O-CB 3.26Å; Y31-L36 WeakPolarHBondContact O-CB 3.45Å; Y31-L36 VanDerWaalsContact O-CG 3.28Å; Y31-L36 WeakPolarHBondContact O-CG 3.33Å; Y31-L36 PolarHBondContact O-N 3.32Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 3.46Å; L36-A39 PolarHBondContact O-N 2.88Å; L36-R40 VanDerWaalsContact CB-NH1 3.32Å; L36-R40 VanDerWaalsContact O-CG 3.22Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.92Å; L36-Y359 VanDerWaalsContact CD1-O 3.32Å; L36-Y359 WeakPolarHBondContact CD1-O 3.26Å; L36-Q360 VanDerWaalsContact CD1-C 3.45Å
37	P	96	Very high	95.3	Very high	38 Å²	38	70.1 Å²	70.1	25%	0.247	34%	0.339	C	S	.	.	H	α-helix	trans	-49.7	-47.2	170.6	-28	34.5	0	0	0	112.8	K32 R40 L41	K32-P37 WeakPolarHBondContact O-CD 3.47Å; K32-P37 WeakPolarHBondContact O-CG 3.3Å; P37-R40 PolarHBondContact O-N 2.86Å; P37-L41 WeakPolarHBondContact O-CG 3.35Å; P37-L41 PolarHBondContact O-N 3.36Å
38	T	95.2	Very high	95.4	Very high	73 Å²	73	70.3 Å²	70.3	45%	0.448	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-47.3	177.5	-54.8	0	0	0	0	111.9	W34 F35 L36 R40 L41 L42	W34-T38 WeakPolarHBondContact O-CB 3.48Å; W34-T38 PolarHBondContact O-N 2.89Å; W34-T38 VanDerWaalsContact O-N 3.09Å; W34-T38 PolarHBondContact O-OG1 3.44Å; F35-T38 PolarHBondContact O-N 3.35Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 3.46Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 2.68Å; T38-L41 WeakPolarHBondContact O-CB 3.49Å; T38-L41 PolarHBondContact O-N 2.95Å; T38-L41 VanDerWaalsContact O-N 3.07Å; T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 PolarHBondContact O-N 3.1Å; T38-L42 VanDerWaalsContact O-N 3.15Å
39	A	94.7	Very high	95.4	Very high	31 Å²	31	69 Å²	69	26%	0.256	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-35.2	179	0	0	0	0	0	112.3	F35 L36 L41 L42 V43	F35-A39 WeakPolarHBondContact O-CB 3.27Å; F35-A39 PolarHBondContact O-N 2.88Å; L36-A39 PolarHBondContact O-N 2.88Å; A39-L41 VanDerWaalsContact C-N 3.34Å; A39-L42 PolarHBondContact O-N 3.41Å; A39-V43 PolarHBondContact O-N 3.34Å
40	R	93.9	Very high	95.5	Very high	37 Å²	37	63.9 Å²	63.9	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-33.4	175.9	-66.7	-167.7	-72.1	-86.1	1.5	112.6	L36 P37 T38 V43 R130	L36-R40 VanDerWaalsContact CB-NH1 3.32Å; L36-R40 VanDerWaalsContact O-CG 3.22Å; L36-R40 WeakPolarHBondContact O-CG 3.15Å; L36-R40 PolarHBondContact O-N 2.92Å; P37-R40 PolarHBondContact O-N 2.86Å; T38-R40 VanDerWaalsContact C-N 3.26Å; T38-R40 PolarHBondContact O-N 2.68Å; R40-V43 CarbonylContact O-C 3.59Å; R40-R130 VanDerWaalsContact CG-NH1 3.28Å; R40-R130 PolarHBondContact O-NH2 2.95Å
41	L	93.6	Very high	95.5	Very high	124 Å²	124	66.3 Å²	66.3	65%	0.649	33%	0.33	S	S	*	.	H	α-helix	trans	-70.6	-36.9	175.7	-66.7	173.3	0	0	0	112	P37 T38 A39 R44	P37-L41 WeakPolarHBondContact O-CG 3.35Å; P37-L41 PolarHBondContact O-N 3.36Å; T38-L41 WeakPolarHBondContact O-CB 3.49Å; T38-L41 PolarHBondContact O-N 2.95Å; T38-L41 VanDerWaalsContact O-N 3.07Å; A39-L41 VanDerWaalsContact C-N 3.34Å; L41-R44 WeakPolarHBondContact O-CG 3.41Å
42	L	94.7	Very high	95.6	Very high	139 Å²	139	69.5 Å²	69.5	73%	0.728	35%	0.347	S	S	*	.	H	α-helix	trans	-76	-44.9	179	-64.3	175.2	0	0	0	112.3	T38 A39	T38-L42 HydrophobicContact CG2-CD1 4.28Å; T38-L42 PolarHBondContact O-N 3.1Å; T38-L42 VanDerWaalsContact O-N 3.15Å; A39-L42 PolarHBondContact O-N 3.41Å
43	V	94.9	Very high	95.6	Very high	39 Å²	39	68 Å²	68	24%	0.236	35%	0.347	C	S	.	.	S	Bend	trans	-110	87.6	177.3	-170.3	0	0	0	0	108.9	A39 R40 T48 A49 L52 R130	A39-V43 PolarHBondContact O-N 3.34Å; R40-V43 CarbonylContact O-C 3.59Å; V43-T48 HydrophobicContact CG1-CG2 3.8Å; V43-A49 HydrophobicContact CB-CB 4.37Å; V43-A49 HydrophobicContact CG1-CB 3.83Å; V43-L52 HydrophobicContact CG2-CD2 4.45Å; V43-R130 PolarHBondContact O-NH1 3.42Å; V43-R130 PolarHBondContact O-NH2 2.77Å
44	R	92.7	Very high	95.7	Very high	208 Å²	208	65 Å²	65	79%	0.785	33%	0.332	S	S	*	.			trans	-73.2	-40.2	-174.2	-65.8	-174	-179.1	-175.4	-0.8	113.5	L41 G46 R130	L41-R44 WeakPolarHBondContact O-CG 3.41Å; R44-G46 PolarHBondContact O-N 3Å; R44-R130 PolarHBondContact O-NH2 2.85Å
45	D	94.8	Very high	95.8	Very high	62 Å²	62	62.6 Å²	62.6	33%	0.332	32%	0.323	S	S	.	.			trans	-67.1	123.5	179.7	177.1	64.4	0	0	0	111	E47 T48 A49	D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 2.92Å; D45-E47 PolarHBondContact OD2-N 3.47Å; D45-T48 PolarHBondContact O-N 3.01Å; D45-T48 VanDerWaalsContact OD2-CB 3.25Å; D45-T48 WeakPolarHBondContact OD2-CB 3.35Å; D45-T48 PolarHBondContact OD2-N 2.91Å; D45-T48 PolarHBondContact OD2-OG1 2.96Å; D45-A49 WeakPolarHBondContact O-CB 3.42Å; D45-A49 PolarHBondContact O-N 3.46Å
46	G	94.8	Very high	95.9	Very high	8 Å²	8	62.1 Å²	62.1	8%	0.082	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-34.2	-173.5	0	0	0	0	0	113.2	R44 H50	R44-G46 PolarHBondContact O-N 3Å; G46-H50 VanDerWaalsContact O-CB 3.29Å; G46-H50 WeakPolarHBondContact O-CB 3.06Å; G46-H50 PolarHBondContact O-N 3.44Å
47	E	96.7	Very high	95.9	Very high	5 Å²	5	61 Å²	61	2%	0.023	32%	0.318	C	S	.	.	H	α-helix	trans	-78	-36.8	-179.8	-169	168	165.4	0	0	112.2	D45 H50 N51 R125 R127 I128	D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 2.92Å; D45-E47 PolarHBondContact OD2-N 3.47Å; E47-H50 WeakPolarHBondContact O-CB 3.26Å; E47-H50 PolarHBondContact O-N 3.48Å; E47-N51 WeakPolarHBondContact O-CB 3.22Å; E47-N51 PolarHBondContact O-N 3.2Å; E47-N51 PolarHBondContact O-ND2 2.73Å; E47-R125 IonicContact OE1-CZ 2.81Å; E47-R125 IonicContact OE1-NE 2.92Å; E47-R125 PolarHBondContact OE1-NE 3.06Å; E47-R125 IonicContact OE1-NH2 3.34Å; E47-R125 PolarHBondContact OE1-NH2 3.23Å; E47-R125 WeakPolarHBondContact OE2-CG 3.46Å; E47-R125 IonicContact OE2-CZ 3.98Å; E47-R125 IonicContact OE2-NE 2.72Å; E47-R125 PolarHBondContact OE2-NE 3.35Å; E47-R127 IonicContact OE1-CZ 3.72Å; E47-R127 IonicContact OE1-NE 3.06Å; E47-R127 PolarHBondContact OE1-NE 2.81Å; E47-R127 IonicContact OE1-NH2 3.72Å; E47-R127 PolarHBondContact OE1-NH2 2.99Å; E47-R127 WeakPolarHBondContact OE2-CD 3.36Å; E47-R127 VanDerWaalsContact OE2-CG 3.22Å; E47-R127 WeakPolarHBondContact OE2-CG 3.3Å; E47-R127 IonicContact OE2-CZ 3Å; E47-R127 IonicContact OE2-NE 3.38Å; E47-R127 PolarHBondContact OE2-NE 2.81Å; E47-R127 IonicContact OE2-NH2 2.66Å; E47-I128 HydrophobicContact CB-CB 4.45Å; E47-I128 HydrophobicContact CB-CD1 4.01Å; E47-I128 HydrophobicContact CB-CG1 4.35Å; E47-I128 HydrophobicContact CG-CD1 4.08Å
48	T	97.5	Very high	96	Very high	70 Å²	70	61.5 Å²	61.5	43%	0.429	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-47.9	171	-59.1	0	0	0	0	110.7	V43 D45 H50 N51 L52	V43-T48 HydrophobicContact CG1-CG2 3.8Å; D45-T48 PolarHBondContact O-N 3.01Å; D45-T48 VanDerWaalsContact OD2-CB 3.25Å; D45-T48 WeakPolarHBondContact OD2-CB 3.35Å; D45-T48 PolarHBondContact OD2-N 2.91Å; D45-T48 PolarHBondContact OD2-OG1 2.96Å; T48-H50 VanDerWaalsContact C-N 3.31Å; T48-H50 PolarHBondContact O-N 2.9Å; T48-N51 PolarHBondContact O-N 3.48Å; T48-L52 WeakPolarHBondContact O-CB 3.47Å; T48-L52 PolarHBondContact O-N 3.36Å
49	A	96.7	Very high	96.1	Very high	17 Å²	17	64.9 Å²	64.9	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-41.9	176.6	0	0	0	0	0	112	V43 D45 S53	V43-A49 HydrophobicContact CB-CB 4.37Å; V43-A49 HydrophobicContact CG1-CB 3.83Å; D45-A49 WeakPolarHBondContact O-CB 3.42Å; D45-A49 PolarHBondContact O-N 3.46Å; A49-S53 WeakPolarHBondContact O-CB 3.45Å; A49-S53 PolarHBondContact O-N 3.2Å; A49-S53 PolarHBondContact O-OG 3.25Å
50	H	97.3	Very high	95.9	Very high	23 Å²	23	65.6 Å²	65.6	11%	0.106	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-51.2	176	171.6	80.8	0	0	0	112.1	G46 E47 T48 L52 S53 V54 G91 F92 K94 I128	G46-H50 VanDerWaalsContact O-CB 3.29Å; G46-H50 WeakPolarHBondContact O-CB 3.06Å; G46-H50 PolarHBondContact O-N 3.44Å; E47-H50 WeakPolarHBondContact O-CB 3.26Å; E47-H50 PolarHBondContact O-N 3.48Å; T48-H50 VanDerWaalsContact C-N 3.31Å; T48-H50 PolarHBondContact O-N 2.9Å; H50-L52 VanDerWaalsContact C-N 3.33Å; H50-L52 PolarHBondContact O-N 3.16Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 3.38Å; H50-S53 VanDerWaalsContact O-N 3.1Å; H50-V54 WeakPolarHBondContact O-CG2 3.38Å; H50-V54 PolarHBondContact O-N 3Å; H50-G91 PolarHBondContact CE1-O 2.92Å; H50-G91 VanDerWaalsContact CE1-O 3.32Å; H50-F92 PolarHBondContact CE1-O 3.35Å; H50-F92 PolarHBondContact NE2-O 3.02Å; H50-K94 PolarHBondContact CE1-NZ 2.95Å; H50-K94 PolarHBondContact NE2-NZ 3.04Å; H50-I128 HydrophobicContact CB-CD1 4.46Å
51	N	97.5	Very high	95.9	Very high	69 Å²	69	70.8 Å²	70.8	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-41	-179.2	-67.2	-23.3	0	0	0	111.7	E47 T48 S53 V54 Y55	E47-N51 WeakPolarHBondContact O-CB 3.22Å; E47-N51 PolarHBondContact O-N 3.2Å; E47-N51 PolarHBondContact O-ND2 2.73Å; T48-N51 PolarHBondContact O-N 3.48Å; N51-S53 VanDerWaalsContact C-N 3.32Å; N51-S53 PolarHBondContact O-N 3.49Å; N51-V54 PolarHBondContact O-N 3.15Å; N51-Y55 WeakPolarHBondContact O-CB 3.18Å; N51-Y55 PolarHBondContact O-N 3.21Å
52	L	96.9	Very high	95.9	Very high	81 Å²	81	66.2 Å²	66.2	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-41.3	174.1	179.9	60.6	0	0	0	111.5	V43 T48 H50 Y55 L56	V43-L52 HydrophobicContact CG2-CD2 4.45Å; T48-L52 WeakPolarHBondContact O-CB 3.47Å; T48-L52 PolarHBondContact O-N 3.36Å; H50-L52 VanDerWaalsContact C-N 3.33Å; H50-L52 PolarHBondContact O-N 3.16Å; L52-Y55 PolarHBondContact O-N 3.2Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.26Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CG 3.28Å; L52-L56 PolarHBondContact O-N 2.94Å
53	S	96.9	Very high	95.8	Very high	51 Å²	51	60 Å²	60	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-42	178.5	-56.6	0	0	0	0	112.1	A49 H50 N51 L56 A57	A49-S53 WeakPolarHBondContact O-CB 3.45Å; A49-S53 PolarHBondContact O-N 3.2Å; A49-S53 PolarHBondContact O-OG 3.25Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 3.38Å; H50-S53 VanDerWaalsContact O-N 3.1Å; N51-S53 VanDerWaalsContact C-N 3.32Å; N51-S53 PolarHBondContact O-N 3.49Å; S53-L56 PolarHBondContact O-N 3.2Å; S53-A57 WeakPolarHBondContact O-CB 3.15Å; S53-A57 PolarHBondContact O-N 3.3Å
54	V	98.1	Very high	95.7	Very high	15 Å²	15	63.5 Å²	63.5	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-43.2	174.9	173.4	0	0	0	0	110.5	H50 N51 A57 S58 F92 K97 A98	H50-V54 WeakPolarHBondContact O-CG2 3.38Å; H50-V54 PolarHBondContact O-N 3Å; N51-V54 PolarHBondContact O-N 3.15Å; V54-A57 PolarHBondContact O-N 3.25Å; V54-S58 PolarHBondContact O-N 3.46Å; V54-F92 HydrophobicContact CG2-CD1 4.26Å; V54-F92 HydrophobicContact CG2-CE1 3.86Å; V54-F92 HydrophobicContact CG2-CZ 4.16Å; V54-F92 WeakPolarHBondContact CG2-O 3.28Å; V54-K97 HydrophobicContact CG1-CB 4.13Å; V54-A98 HydrophobicContact CG1-CB 4.01Å
55	Y	97.9	Very high	95.7	Very high	126 Å²	126	55.8 Å²	55.8	49%	0.494	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-49.2	176.4	-179.4	-91.1	0	0	0	111.9	N51 L52 A57 S58 Y59	N51-Y55 WeakPolarHBondContact O-CB 3.18Å; N51-Y55 PolarHBondContact O-N 3.21Å; L52-Y55 PolarHBondContact O-N 3.2Å; Y55-A57 VanDerWaalsContact C-N 3.29Å; Y55-A57 PolarHBondContact O-N 2.82Å; Y55-S58 PolarHBondContact O-N 3.43Å; Y55-S58 PolarHBondContact O-OG 3.46Å; Y55-Y59 HydrophobicContact CD1-CD2 4.25Å; Y55-Y59 HydrophobicContact CD2-CD2 4.12Å; Y55-Y59 AromaticContact CD2-CE2 3.74Å; Y55-Y59 HydrophobicContact CD2-CE2 3.74Å; Y55-Y59 AromaticContact CE1-CD2 3.97Å; Y55-Y59 HydrophobicContact CE1-CD2 3.97Å; Y55-Y59 HydrophobicContact CE1-CE2 4.12Å; Y55-Y59 AromaticContact CE2-CD2 3.86Å; Y55-Y59 HydrophobicContact CE2-CD2 3.86Å; Y55-Y59 AromaticContact CE2-CE2 3.22Å; Y55-Y59 HydrophobicContact CE2-CE2 3.22Å; Y55-Y59 HydrophobicContact CG-CD2 4.31Å; Y55-Y59 HydrophobicContact CG-CE2 4.38Å; Y55-Y59 AromaticContact CZ-CD2 3.75Å; Y55-Y59 AromaticContact CZ-CE2 3.42Å; Y55-Y59 VanDerWaalsContact CZ-CE2 3.42Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.37Å; Y55-Y59 PolarHBondContact O-N 2.95Å
56	L	96.7	Very high	95.4	Very high	64 Å²	64	58.6 Å²	58.6	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.6	-69.4	171.6	0	0	0	111.6	L52 S53 Y59 G60 F61	L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.26Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.49Å; L52-L56 WeakPolarHBondContact O-CG 3.28Å; L52-L56 PolarHBondContact O-N 2.94Å; S53-L56 PolarHBondContact O-N 3.2Å; L56-Y59 PolarHBondContact O-N 2.82Å; L56-G60 PolarHBondContact O-N 2.96Å; L56-F61 HydrophobicContact CB-CB 4.24Å; L56-F61 HydrophobicContact CD2-CB 3.96Å; L56-F61 HydrophobicContact CD2-CD2 4.22Å; L56-F61 HydrophobicContact CD2-CG 4.44Å; L56-F61 PolarHBondContact O-N 2.84Å
57	A	97.6	Very high	95.2	Very high	1 Å²	1	60 Å²	60	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-40.3	175.8	0	0	0	0	0	112.6	S53 V54 Y55 Y59 G60 I62 A98 G101 L102	S53-A57 WeakPolarHBondContact O-CB 3.15Å; S53-A57 PolarHBondContact O-N 3.3Å; V54-A57 PolarHBondContact O-N 3.25Å; Y55-A57 VanDerWaalsContact C-N 3.29Å; Y55-A57 PolarHBondContact O-N 2.82Å; A57-Y59 VanDerWaalsContact C-N 3.27Å; A57-Y59 PolarHBondContact O-N 3.39Å; A57-G60 PolarHBondContact O-N 3.21Å; A57-G60 VanDerWaalsContact O-N 3.1Å; A57-I62 HydrophobicContact CB-CD1 3.7Å; A57-I62 HydrophobicContact CB-CG1 4.42Å; A57-I62 HydrophobicContact CB-CG2 4.37Å; A57-A98 HydrophobicContact CB-CB 3.76Å; A57-G101 WeakPolarHBondContact O-CA 3.34Å; A57-L102 HydrophobicContact CB-CD2 4.33Å; A57-L102 HydrophobicContact CB-CG 4.48Å
58	S	97.6	Very high	94.7	Very high	49 Å²	49	64.3 Å²	64.3	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-31.1	179.9	67.4	0	0	0	0	113.2	V54 Y55 K97	V54-S58 PolarHBondContact O-N 3.46Å; Y55-S58 PolarHBondContact O-N 3.43Å; Y55-S58 PolarHBondContact O-OG 3.46Å; S58-K97 WeakPolarHBondContact CB-O 3.28Å
59	Y	96.1	Very high	94.4	Very high	144 Å²	144	63.1 Å²	63.1	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	3.7	176	-74.6	-85.6	0	0	0	113.8	Y55 L56 A57 F61	Y55-Y59 HydrophobicContact CD1-CD2 4.25Å; Y55-Y59 HydrophobicContact CD2-CD2 4.12Å; Y55-Y59 AromaticContact CD2-CE2 3.74Å; Y55-Y59 HydrophobicContact CD2-CE2 3.74Å; Y55-Y59 AromaticContact CE1-CD2 3.97Å; Y55-Y59 HydrophobicContact CE1-CD2 3.97Å; Y55-Y59 HydrophobicContact CE1-CE2 4.12Å; Y55-Y59 AromaticContact CE2-CD2 3.86Å; Y55-Y59 HydrophobicContact CE2-CD2 3.86Å; Y55-Y59 AromaticContact CE2-CE2 3.22Å; Y55-Y59 HydrophobicContact CE2-CE2 3.22Å; Y55-Y59 HydrophobicContact CG-CD2 4.31Å; Y55-Y59 HydrophobicContact CG-CE2 4.38Å; Y55-Y59 AromaticContact CZ-CD2 3.75Å; Y55-Y59 AromaticContact CZ-CE2 3.42Å; Y55-Y59 VanDerWaalsContact CZ-CE2 3.42Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.37Å; Y55-Y59 PolarHBondContact O-N 2.95Å; L56-Y59 PolarHBondContact O-N 2.82Å; A57-Y59 VanDerWaalsContact C-N 3.27Å; A57-Y59 PolarHBondContact O-N 3.39Å; Y59-F61 VanDerWaalsContact C-N 3.34Å; Y59-F61 HydrophobicContact CG-CE2 4.4Å; Y59-F61 PolarHBondContact O-N 3.44Å
60	G	91.8	Very high	94.3	Very high	46 Å²	46	63.4 Å²	63.4	47%	0.474	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	18.5	179.3	0	0	0	0	0	114.7	L56 A57 I62	L56-G60 PolarHBondContact O-N 2.96Å; A57-G60 PolarHBondContact O-N 3.21Å; A57-G60 VanDerWaalsContact O-N 3.1Å; G60-I62 PolarHBondContact O-N 3.25Å; G60-I62 VanDerWaalsContact O-N 3.13Å
61	F	92.5	Very high	94.1	Very high	146 Å²	146	67.1 Å²	67.1	64%	0.64	35%	0.348	S	S	*	.			trans	-82.8	31	175.6	-66	-60.4	0	0	0	113.3	L56 Y59	L56-F61 HydrophobicContact CB-CB 4.24Å; L56-F61 HydrophobicContact CD2-CB 3.96Å; L56-F61 HydrophobicContact CD2-CD2 4.22Å; L56-F61 HydrophobicContact CD2-CG 4.44Å; L56-F61 PolarHBondContact O-N 2.84Å; Y59-F61 VanDerWaalsContact C-N 3.34Å; Y59-F61 HydrophobicContact CG-CE2 4.4Å; Y59-F61 PolarHBondContact O-N 3.44Å
62	I	93.8	Very high	94	Very high	28 Å²	28	71.2 Å²	71.2	14%	0.144	37%	0.365	C	S	.	.	S	Bend	trans	-124.1	148.6	172.2	62.6	174.3	0	0	0	108.9	A57 G60 H64 G101 L102 A105 P362	A57-I62 HydrophobicContact CB-CD1 3.7Å; A57-I62 HydrophobicContact CB-CG1 4.42Å; A57-I62 HydrophobicContact CB-CG2 4.37Å; G60-I62 PolarHBondContact O-N 3.25Å; G60-I62 VanDerWaalsContact O-N 3.13Å; I62-H64 PolarHBondContact O-N 2.89Å; I62-G101 WeakPolarHBondContact CD1-O 3.36Å; I62-L102 HydrophobicContact CD1-CD2 4.37Å; I62-A105 HydrophobicContact CD1-CB 3.81Å; I62-A105 HydrophobicContact CG1-CB 4.43Å; I62-P362 HydrophobicContact CB-CB 4.28Å; I62-P362 HydrophobicContact CB-CG 3.91Å; I62-P362 HydrophobicContact CG2-CG 4.02Å
63	P	93.2	Very high	94	Very high	7 Å²	7	67.7 Å²	67.7	5%	0.045	35%	0.346	C	S	.	.			trans	-62.1	138.2	-172.6	24.2	-35.3	0	0	0	111.4	Y24 Y31 P362 P363	Y24-P63 WeakPolarHBondContact O-CB 3.26Å; Y31-P63 HydrophobicContact CE2-CG 4.11Å; Y31-P63 VanDerWaalsContact OH-CD 3.28Å; Y31-P63 WeakPolarHBondContact OH-CD 3.35Å; P63-P362 HydrophobicContact CG-CB 3.79Å; P63-P362 HydrophobicContact CG-CG 4.41Å; P63-P363 HydrophobicContact CG-CG 4.41Å
64	H	93.7	Very high	94	Very high	113 Å²	113	70.5 Å²	70.5	52%	0.523	35%	0.352	S	S	.	.			trans	-85.1	134	176.9	177.6	-83.1	0	0	0	110.9	I62 N104	I62-H64 PolarHBondContact O-N 2.89Å; H64-N104 CarbonylContact C-O 3.53Å; H64-N104 VanDerWaalsContact CA-O 3.28Å; H64-N104 WeakPolarHBondContact CA-O 3.36Å; H64-N104 PolarHBondContact CD2-O 2.97Å
65	K	91.8	Very high	94	Very high	46 Å²	46	71.4 Å²	71.4	20%	0.2	36%	0.359	C	S	.	.			trans	-133.7	131.9	175.1	-65.3	-67.8	-179.3	179	0	110	S25 R67 N104 H366	S25-K65 VanDerWaalsContact O-CE 3.26Å; S25-K65 WeakPolarHBondContact O-CE 3.3Å; S25-K65 PolarHBondContact O-NZ 2.95Å; K65-R67 PolarHBondContact O-N 3.44Å; K65-N104 PolarHBondContact N-O 3.24Å; K65-H366 HydrophobicContact CB-CB 3.82Å; K65-H366 HydrophobicContact CD-CB 4.41Å; K65-H366 HydrophobicContact CG-CB 3.95Å
66	Q	89.3	Confident	94	Very high	122 Å²	122	72.8 Å²	72.8	57%	0.57	37%	0.367	S	S	*	.			trans	-65.3	120.2	177.2	-71.2	-178	0.3	0	0	110.6	S69 H366	Q66-S69 WeakPolarHBondContact CB-OG 3.36Å; Q66-S69 PolarHBondContact O-OG 3.43Å; Q66-H366 PolarHBondContact O-ND1 3.26Å
67	R	89.7	Confident	94	Very high	36 Å²	36	70.2 Å²	70.2	14%	0.136	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.6	-43.8	178.5	-65.2	179.9	-57.9	-86.6	-3.6	112.4	K65 S69 D83 H84 L103 F107 R163	K65-R67 PolarHBondContact O-N 3.44Å; R67-S69 PolarHBondContact O-N 3.24Å; R67-S69 VanDerWaalsContact O-N 3.09Å; R67-D83 HydrophobicContact CB-CB 3.85Å; R67-D83 WeakPolarHBondContact CB-OD2 3.5Å; R67-D83 IonicContact CZ-OD2 2.75Å; R67-D83 IonicContact NE-OD2 3.31Å; R67-D83 PolarHBondContact NE-OD2 2.96Å; R67-H84 PolarHBondContact O-CD2 2.67Å; R67-L103 WeakPolarHBondContact CD-O 3.49Å; R67-L103 PolarHBondContact NH1-O 3.18Å; R67-F107 WeakPolarHBondContact CD-O 3.5Å; R67-R163 PolarHBondContact NE-O 2.97Å; R67-R163 PolarHBondContact NH1-O 3.47Å; R67-R163 VanDerWaalsContact NH2-C 3.35Å; R67-R163 PolarHBondContact NH2-O 2.85Å
68	N	87	Confident	94	Very high	97 Å²	97	71.7 Å²	71.7	52%	0.519	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-78.4	15.4	-177	67.7	-22.4	0	0	0	114.3	F70	N68-F70 PolarHBondContact O-N 2.75Å
69	S	90.7	Very high	94	Very high	45 Å²	45	72.2 Å²	72.2	32%	0.315	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-60.2	-18.4	178.8	-59.2	0	0	0	0	113.4	Q66 R67 H366	Q66-S69 WeakPolarHBondContact CB-OG 3.36Å; Q66-S69 PolarHBondContact O-OG 3.43Å; R67-S69 PolarHBondContact O-N 3.24Å; R67-S69 VanDerWaalsContact O-N 3.09Å; S69-H366 PolarHBondContact OG-CE1 2.99Å
70	F	94.1	Very high	94.1	Very high	23 Å²	23	67 Å²	67	10%	0.101	36%	0.356	C	S	.	.			trans	-126	76.9	-175.9	-47.7	-67	0	0	0	111.3	N68 Q72 L73 H366 A369 R370 N373	N68-F70 PolarHBondContact O-N 2.75Å; F70-Q72 PolarHBondContact O-N 3.22Å; F70-Q72 VanDerWaalsContact O-N 3.07Å; F70-L73 HydrophobicContact CB-CB 4.32Å; F70-L73 HydrophobicContact CB-CD1 4Å; F70-L73 HydrophobicContact CB-CG 4.04Å; F70-L73 HydrophobicContact CG-CD1 4.48Å; F70-L73 WeakPolarHBondContact O-CB 3.23Å; F70-L73 PolarHBondContact O-N 3.41Å; F70-H366 AromaticContact CE2-CE1 3.57Å; F70-H366 AromaticContact CE2-ND1 3.82Å; F70-H366 AromaticContact CZ-CE1 3.56Å; F70-H366 AromaticContact CZ-NE2 3.71Å; F70-A369 HydrophobicContact CD2-CB 3.77Å; F70-A369 HydrophobicContact CE2-CB 3.88Å; F70-R370 HydrophobicContact CE1-CB 3.98Å; F70-R370 HydrophobicContact CE1-CG 3.94Å; F70-R370 HydrophobicContact CE2-CB 3.96Å; F70-R370 VanDerWaalsContact CZ-CA 3.49Å; F70-R370 HydrophobicContact CZ-CB 3.4Å; F70-R370 HydrophobicContact CZ-CG 3.77Å; F70-N373 HydrophobicContact CB-CB 4.31Å; F70-N373 HydrophobicContact CD1-CB 4Å; F70-N373 HydrophobicContact CG-CB 4.2Å
71	P	94.5	Very high	94.4	Very high	101 Å²	101	70.5 Å²	70.5	66%	0.656	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-55.9	-29.9	-175.8	-27.5	35.5	0	0	0	114.7	L73 K74	P71-L73 PolarHBondContact O-N 3.48Å; P71-K74 VanDerWaalsContact O-CB 3.3Å; P71-K74 WeakPolarHBondContact O-CB 3.26Å; P71-K74 PolarHBondContact O-N 2.83Å; P71-K74 VanDerWaalsContact O-N 3.13Å
72	Q	94.8	Very high	94.7	Very high	155 Å²	155	63.6 Å²	63.6	72%	0.724	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.6	-15.8	177.2	-61.3	-69.6	14.9	0	0	113.7	F70 M377	F70-Q72 PolarHBondContact O-N 3.22Å; F70-Q72 VanDerWaalsContact O-N 3.07Å; Q72-M377 HydrophobicContact CG-CE 4.42Å
73	L	96.7	Very high	94.9	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.031	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-94.4	-6.7	176.2	-62.5	-171.9	0	0	0	113.2	F70 P71 C75 H84 A369 I372 N373 K376	F70-L73 HydrophobicContact CB-CB 4.32Å; F70-L73 HydrophobicContact CB-CD1 4Å; F70-L73 HydrophobicContact CB-CG 4.04Å; F70-L73 HydrophobicContact CG-CD1 4.48Å; F70-L73 WeakPolarHBondContact O-CB 3.23Å; F70-L73 PolarHBondContact O-N 3.41Å; P71-L73 PolarHBondContact O-N 3.48Å; L73-C75 PolarHBondContact O-N 3.46Å; L73-H84 HydrophobicContact CB-CB 3.8Å; L73-H84 HydrophobicContact CD1-CB 4.29Å; L73-H84 WeakPolarHBondContact O-CA 3.43Å; L73-A369 HydrophobicContact CD1-CB 4.38Å; L73-A369 WeakPolarHBondContact CD1-O 3.37Å; L73-I372 HydrophobicContact CD1-CB 4.38Å; L73-I372 HydrophobicContact CD1-CG2 4.36Å; L73-I372 HydrophobicContact CD2-CG2 3.91Å; L73-N373 HydrophobicContact CD1-CB 3.92Å; L73-N373 HydrophobicContact CG-CB 4.18Å; L73-K376 HydrophobicContact CD2-CD 4.04Å
74	K	97.4	Very high	95.1	Very high	110 Å²	110	63.8 Å²	63.8	48%	0.478	33%	0.33	S	S	.	.			trans	-57.7	131.6	178	-170.6	177	-179.4	-179.9	0	109.4	P71 E81 F82 D83	P71-K74 VanDerWaalsContact O-CB 3.3Å; P71-K74 WeakPolarHBondContact O-CB 3.26Å; P71-K74 PolarHBondContact O-N 2.83Å; P71-K74 VanDerWaalsContact O-N 3.13Å; K74-E81 VanDerWaalsContact CE-OE2 3.26Å; K74-E81 WeakPolarHBondContact CE-OE2 3.38Å; K74-E81 IonicContact NZ-OE2 2.82Å; K74-E81 PolarHBondContact NZ-OE2 3.1Å; K74-F82 WeakPolarHBondContact CA-O 3.11Å; K74-F82 WeakPolarHBondContact CG-O 3.32Å; K74-D83 PolarHBondContact N-O 3.32Å
75	C	96.3	Very high	95.3	Very high	35 Å²	35	58.7 Å²	58.7	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.5	-178.6	59.4	0	0	0	0	112	L73 F82	L73-C75 PolarHBondContact O-N 3.46Å; C75-F82 PolarHBondContact N-O 3.2Å; C75-F82 PolarHBondContact O-N 3.31Å
76	K	98.2	Very high	95.6	Very high	154 Å²	154	56.5 Å²	56.5	67%	0.67	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.1	176.1	-171.6	174.9	-176.2	170.7	0	109.3	L80	K76-L80 CarbonylContact C-O 3.6Å; K76-L80 VanDerWaalsContact CA-O 3.26Å; K76-L80 WeakPolarHBondContact CA-O 3.29Å
77	V	98.3	Very high	96.1	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.5	-177.4	-168.5	0	0	0	0	108.2	G79 L80 F82 P327 L350	V77-G79 PolarHBondContact O-N 2.82Å; V77-L80 PolarHBondContact N-O 3.42Å; V77-L80 WeakPolarHBondContact O-CB 3.41Å; V77-L80 PolarHBondContact O-N 2.78Å; V77-F82 HydrophobicContact CB-CD2 4.19Å; V77-F82 HydrophobicContact CB-CE2 3.79Å; V77-F82 HydrophobicContact CG2-CD2 4.36Å; V77-F82 HydrophobicContact CG2-CE2 4.44Å; V77-F82 WeakPolarHBondContact O-CE2 3.46Å; V77-P327 HydrophobicContact CG1-CB 3.51Å; V77-P327 HydrophobicContact CG1-CG 3.9Å; V77-L350 HydrophobicContact CB-CD1 4.16Å; V77-L350 HydrophobicContact CB-CG 4.33Å; V77-L350 HydrophobicContact CG1-CD1 4.25Å; V77-L350 HydrophobicContact CG1-CG 4.41Å; V77-L350 HydrophobicContact CG2-CD1 4.35Å; V77-L350 HydrophobicContact CG2-CD2 3.98Å; V77-L350 HydrophobicContact CG2-CG 4.01Å
78	F	97.5	Very high	96.5	Very high	32 Å²	32	49 Å²	49	14%	0.14	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	20.4	-175.6	-41.4	-60.2	0	0	0	114.9	L80 F82 P237 L239 D266 P327 I329 L350	F78-L80 HydrophobicContact CB-CD1 4.41Å; F78-L80 PolarHBondContact O-N 2.98Å; F78-F82 HydrophobicContact CD2-CZ 4.49Å; F78-P237 HydrophobicContact CB-CB 4.01Å; F78-P237 HydrophobicContact CB-CG 3.87Å; F78-L239 HydrophobicContact CE1-CD2 4.42Å; F78-L239 HydrophobicContact CE1-CG 4.43Å; F78-L239 HydrophobicContact CE2-CD2 3.85Å; F78-L239 HydrophobicContact CZ-CD2 3.74Å; F78-L239 HydrophobicContact CZ-CG 4.23Å; F78-D266 WeakPolarHBondContact CD1-O 3.35Å; F78-D266 WeakPolarHBondContact CE1-O 3.23Å; F78-P327 HydrophobicContact CD1-CB 4.26Å; F78-P327 HydrophobicContact CD1-CG 3.92Å; F78-P327 HydrophobicContact CE1-CB 3.51Å; F78-P327 HydrophobicContact CE1-CG 3.64Å; F78-P327 HydrophobicContact CZ-CB 3.88Å; F78-P327 HydrophobicContact CZ-CG 4.44Å; F78-I329 HydrophobicContact CE2-CD1 4.04Å; F78-I329 HydrophobicContact CE2-CG1 4.25Å; F78-I329 HydrophobicContact CZ-CD1 4.38Å; F78-I329 HydrophobicContact CZ-CG1 4.18Å; F78-L350 HydrophobicContact CE2-CD1 4.07Å
79	G	97.1	Very high	97.1	Very high	59 Å²	59	44.6 Å²	44.6	61%	0.608	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	-0.5	-172	0	0	0	0	0	114.7	V77	V77-G79 PolarHBondContact O-N 2.82Å
80	L	98.2	Very high	97.5	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.188	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	150.9	-179.5	-54.5	168.5	0	0	0	110.9	K76 V77 F78 F82 V165 D195 Y196	K76-L80 CarbonylContact C-O 3.6Å; K76-L80 VanDerWaalsContact CA-O 3.26Å; K76-L80 WeakPolarHBondContact CA-O 3.29Å; V77-L80 PolarHBondContact N-O 3.42Å; V77-L80 WeakPolarHBondContact O-CB 3.41Å; V77-L80 PolarHBondContact O-N 2.78Å; F78-L80 HydrophobicContact CB-CD1 4.41Å; F78-L80 PolarHBondContact O-N 2.98Å; L80-F82 HydrophobicContact CB-CE2 3.77Å; L80-F82 HydrophobicContact CB-CZ 4.18Å; L80-F82 HydrophobicContact CD1-CZ 4.37Å; L80-V165 HydrophobicContact CB-CG2 4.39Å; L80-V165 HydrophobicContact CD1-CG1 3.8Å; L80-D195 HydrophobicContact CD1-CB 3.97Å; L80-D195 HydrophobicContact CD2-CB 4.15Å; L80-Y196 HydrophobicContact CD1-CD1 4.33Å
81	E	97.8	Very high	97.6	Very high	118 Å²	118	42.8 Å²	42.8	55%	0.551	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.4	176.1	-59.7	-161.8	160.7	0	0	111.4	K74 V165	K74-E81 VanDerWaalsContact CE-OE2 3.26Å; K74-E81 WeakPolarHBondContact CE-OE2 3.38Å; K74-E81 IonicContact NZ-OE2 2.82Å; K74-E81 PolarHBondContact NZ-OE2 3.1Å; E81-V165 VanDerWaalsContact O-CG2 3.32Å; E81-V165 WeakPolarHBondContact O-CG2 3.21Å
82	F	98.4	Very high	97.8	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	176.8	-60.8	-99.4	0	0	0	109.5	K74 C75 V77 F78 L80 H84 H109 V165 L350	K74-F82 WeakPolarHBondContact CA-O 3.11Å; K74-F82 WeakPolarHBondContact CG-O 3.32Å; C75-F82 PolarHBondContact N-O 3.2Å; C75-F82 PolarHBondContact O-N 3.31Å; V77-F82 HydrophobicContact CB-CD2 4.19Å; V77-F82 HydrophobicContact CB-CE2 3.79Å; V77-F82 HydrophobicContact CG2-CD2 4.36Å; V77-F82 HydrophobicContact CG2-CE2 4.44Å; V77-F82 WeakPolarHBondContact O-CE2 3.46Å; F78-F82 HydrophobicContact CD2-CZ 4.49Å; L80-F82 HydrophobicContact CB-CE2 3.77Å; L80-F82 HydrophobicContact CB-CZ 4.18Å; L80-F82 HydrophobicContact CD1-CZ 4.37Å; F82-H84 PolarHBondContact O-N 2.84Å; F82-H109 HydrophobicContact CD1-CB 3.84Å; F82-H109 AromaticContact CD1-CG 3.92Å; F82-H109 AromaticContact CD1-ND1 3.64Å; F82-H109 HydrophobicContact CE1-CB 3.63Å; F82-H109 AromaticContact CE1-CG 3.71Å; F82-H109 AromaticContact CE1-ND1 3.81Å; F82-V165 HydrophobicContact CD1-CB 4.28Å; F82-V165 HydrophobicContact CD1-CG2 4.01Å; F82-V165 HydrophobicContact CE1-CB 3.82Å; F82-V165 HydrophobicContact CE1-CG1 3.89Å; F82-V165 HydrophobicContact CE1-CG2 3.85Å; F82-V165 HydrophobicContact CG-CG2 4.45Å; F82-V165 HydrophobicContact CZ-CB 4.33Å; F82-V165 HydrophobicContact CZ-CG1 4.01Å; F82-V165 HydrophobicContact CZ-CG2 4.15Å; F82-L350 HydrophobicContact CB-CD2 4.33Å; F82-L350 HydrophobicContact CD1-CD1 4.05Å; F82-L350 HydrophobicContact CD1-CD2 4.09Å; F82-L350 HydrophobicContact CD2-CD1 4.29Å; F82-L350 HydrophobicContact CD2-CD2 4.17Å; F82-L350 HydrophobicContact CE1-CD1 3.57Å; F82-L350 HydrophobicContact CE1-CD2 4.46Å; F82-L350 HydrophobicContact CE2-CD1 3.86Å; F82-L350 HydrophobicContact CG-CD1 4.39Å; F82-L350 HydrophobicContact CG-CD2 3.94Å; F82-L350 HydrophobicContact CZ-CD1 3.49Å; F82-L350 VanDerWaalsContact CZ-CD1 3.49Å
83	D	97.6	Very high	98	Very high	39 Å²	39	31 Å²	31	21%	0.209	17%	0.17	C	C	.	.	S	Bend	trans	-58.9	-30.3	178.2	-71.3	-38.2	0	0	0	112.7	R67 K74	R67-D83 HydrophobicContact CB-CB 3.85Å; R67-D83 WeakPolarHBondContact CB-OD2 3.5Å; R67-D83 IonicContact CZ-OD2 2.75Å; R67-D83 IonicContact NE-OD2 3.31Å; R67-D83 PolarHBondContact NE-OD2 2.96Å; K74-D83 PolarHBondContact N-O 3.32Å
84	H	98	Very high	98	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.173	C	C	.	.	S	Bend	trans	-164.7	169.1	176.6	55	90.4	0	0	0	108.5	R67 L73 F82 I86 G106 S108 A369	R67-H84 PolarHBondContact O-CD2 2.67Å; L73-H84 HydrophobicContact CB-CB 3.8Å; L73-H84 HydrophobicContact CD1-CB 4.29Å; L73-H84 WeakPolarHBondContact O-CA 3.43Å; F82-H84 PolarHBondContact O-N 2.84Å; H84-I86 PolarHBondContact CE1-O 2.86Å; H84-I86 VanDerWaalsContact CE1-O 3.3Å; H84-I86 WeakPolarHBondContact ND1-CB 3.37Å; H84-I86 PolarHBondContact ND1-N 3.1Å; H84-I86 PolarHBondContact O-N 3.33Å; H84-I86 VanDerWaalsContact O-N 3.1Å; H84-G106 PolarHBondContact CE1-O 3.5Å; H84-G106 PolarHBondContact NE2-O 3.27Å; H84-S108 PolarHBondContact CE1-N 3.1Å; H84-S108 VanDerWaalsContact CE1-N 3.35Å; H84-S108 PolarHBondContact NE2-N 3.45Å; H84-S108 WeakPolarHBondContact O-CB 2.93Å; H84-S108 PolarHBondContact O-OG 3.35Å; H84-A369 HydrophobicContact CB-CB 4.42Å
85	P	98.2	Very high	98.1	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.039	15%	0.154	C	C	.	.	S	Bend	trans	-77.6	5.9	-173.3	29.9	-36.2	0	0	0	115.1	L344 L350 V351	P85-L344 HydrophobicContact CB-CD2 4.25Å; P85-L344 HydrophobicContact CG-CD1 4.13Å; P85-L350 HydrophobicContact CB-CD2 4.18Å; P85-V351 PolarHBondContact O-N 2.73Å; P85-V351 VanDerWaalsContact O-O 3.09Å
86	I	98.6	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120	-168	-43.4	-54.8	0	0	0	110.9	H84 F107 S108 A340 V351 L353 V368 A369 I372	H84-I86 PolarHBondContact CE1-O 2.86Å; H84-I86 VanDerWaalsContact CE1-O 3.3Å; H84-I86 WeakPolarHBondContact ND1-CB 3.37Å; H84-I86 PolarHBondContact ND1-N 3.1Å; H84-I86 PolarHBondContact O-N 3.33Å; H84-I86 VanDerWaalsContact O-N 3.1Å; I86-F107 HydrophobicContact CG2-CD1 4.41Å; I86-F107 HydrophobicContact CG2-CE1 4.45Å; I86-S108 WeakPolarHBondContact O-CB 3.31Å; I86-S108 PolarHBondContact O-N 3.15Å; I86-S108 PolarHBondContact O-OG 3.37Å; I86-A340 HydrophobicContact CD1-CB 4.25Å; I86-V351 HydrophobicContact CD1-CG2 3.29Å; I86-L353 HydrophobicContact CG2-CD1 3.8Å; I86-L353 HydrophobicContact CG2-CD2 4.47Å; I86-L353 HydrophobicContact CG2-CG 3.88Å; I86-V368 HydrophobicContact CD1-CG1 3.68Å; I86-V368 HydrophobicContact CG1-CG1 4.02Å; I86-V368 HydrophobicContact CG2-CG1 4.38Å; I86-A369 HydrophobicContact CG1-CB 4.22Å; I86-I372 HydrophobicContact CD1-CD1 3.59Å
87	G	98.7	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-174.2	173.2	0	0	0	0	0	113.9	F107 H109 V351 Q352 L353	G87-F107 WeakPolarHBondContact O-CD1 3.34Å; G87-F107 VanDerWaalsContact O-CE1 3.27Å; G87-F107 WeakPolarHBondContact O-CE1 3.32Å; G87-H109 CarbonylContact C-O 3.52Å; G87-H109 WeakPolarHBondContact CA-CE1 3.46Å; G87-H109 WeakPolarHBondContact CA-ND1 3.48Å; G87-H109 WeakPolarHBondContact CA-O 3.42Å; G87-H109 PolarHBondContact N-CE1 3.39Å; G87-V351 PolarHBondContact N-O 2.7Å; G87-Q352 CarbonylContact O-C 3.57Å; G87-Q352 VanDerWaalsContact O-CA 3.3Å; G87-Q352 WeakPolarHBondContact O-CA 3.11Å; G87-L353 PolarHBondContact O-N 2.74Å
88	L	98.8	Very high	98.2	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.1	177.6	-175.7	69.7	0	0	0	110	F92 L102 F107 H109 I110 E111 L353 F357	L88-F92 HydrophobicContact CD1-CB 4.34Å; L88-F92 HydrophobicContact CD2-CB 3.87Å; L88-F92 HydrophobicContact CD2-CD1 3.93Å; L88-F92 HydrophobicContact CD2-CG 4.02Å; L88-F92 HydrophobicContact CG-CB 4.22Å; L88-L102 HydrophobicContact CD2-CB 4.42Å; L88-L102 HydrophobicContact CD2-CD1 3.69Å; L88-L102 HydrophobicContact CD2-CD2 3.92Å; L88-L102 HydrophobicContact CD2-CG 4.21Å; L88-F107 HydrophobicContact CB-CD1 4.06Å; L88-F107 HydrophobicContact CB-CD2 4.17Å; L88-F107 HydrophobicContact CB-CE1 4Å; L88-F107 HydrophobicContact CB-CE2 4.11Å; L88-F107 HydrophobicContact CB-CG 4.15Å; L88-F107 HydrophobicContact CB-CZ 4.02Å; L88-F107 HydrophobicContact CD1-CE1 4.34Å; L88-F107 HydrophobicContact CD1-CE2 4.09Å; L88-F107 HydrophobicContact CD1-CZ 3.75Å; L88-F107 HydrophobicContact CD2-CE2 4.31Å; L88-F107 HydrophobicContact CG-CE2 4.41Å; L88-F107 HydrophobicContact CG-CZ 4.38Å; L88-H109 PolarHBondContact N-O 2.98Å; L88-I110 HydrophobicContact CB-CD1 3.69Å; L88-I110 HydrophobicContact CD2-CD1 4.14Å; L88-I110 HydrophobicContact CD2-CG2 4.46Å; L88-E111 WeakPolarHBondContact O-CB 3.48Å; L88-E111 PolarHBondContact O-N 2.97Å; L88-L353 WeakPolarHBondContact CD1-O 3.36Å; L88-F357 HydrophobicContact CD1-CB 4.45Å; L88-F357 HydrophobicContact CD1-CG 4.5Å
89	A	98.8	Very high	98.2	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.033	12%	0.121	C	C	.	.			trans	-74.8	156.4	-179.7	0	0	0	0	0	112	V331 Q352 L353	A89-V331 HydrophobicContact CB-CG1 3.89Å; A89-Q352 HydrophobicContact CB-CB 3.8Å; A89-L353 PolarHBondContact N-O 2.85Å
90	A	98.4	Very high	98.3	Very high	13 Å²	13	19.6 Å²	19.6	11%	0.107	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	154.4	171.3	0	0	0	0	0	112.7	E111 N169	A90-E111 VanDerWaalsContact CA-O 3.24Å; A90-E111 WeakPolarHBondContact CA-O 3.21Å; A90-E111 HydrophobicContact CB-CB 4.41Å; A90-E111 HydrophobicContact CB-CG 3.85Å; A90-E111 WeakPolarHBondContact CB-OE1 3.33Å; A90-E111 PolarHBondContact N-O 3.01Å; A90-N169 HydrophobicContact CB-CB 3.79Å
91	G	97.4	Very high	98.2	Very high	16 Å²	16	18.1 Å²	18.1	17%	0.165	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.8	-18.4	-179.4	0	0	0	0	0	113.3	H50 K94 G113	H50-G91 PolarHBondContact CE1-O 2.92Å; H50-G91 VanDerWaalsContact CE1-O 3.32Å; G91-K94 WeakPolarHBondContact O-CE 3.32Å; G91-K94 WeakPolarHBondContact O-CG 3.26Å; G91-K94 PolarHBondContact O-NZ 3.42Å; G91-G113 WeakPolarHBondContact CA-O 3.17Å; G91-G113 PolarHBondContact N-O 3.12Å
92	F	98.1	Very high	98.2	Very high	7 Å²	7	12.5 Å²	12.5	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-80.6	-69.4	172.3	-170.4	-85.6	0	0	0	109.5	H50 V54 L88 K94 L102 Y354 F357	H50-F92 PolarHBondContact CE1-O 3.35Å; H50-F92 PolarHBondContact NE2-O 3.02Å; V54-F92 HydrophobicContact CG2-CD1 4.26Å; V54-F92 HydrophobicContact CG2-CE1 3.86Å; V54-F92 HydrophobicContact CG2-CZ 4.16Å; V54-F92 WeakPolarHBondContact CG2-O 3.28Å; L88-F92 HydrophobicContact CD1-CB 4.34Å; L88-F92 HydrophobicContact CD2-CB 3.87Å; L88-F92 HydrophobicContact CD2-CD1 3.93Å; L88-F92 HydrophobicContact CD2-CG 4.02Å; L88-F92 HydrophobicContact CG-CB 4.22Å; F92-K94 PolarHBondContact O-N 3.1Å; F92-L102 HydrophobicContact CD1-CD1 3.8Å; F92-L102 HydrophobicContact CD1-CD2 4.02Å; F92-L102 HydrophobicContact CE1-CD1 4.07Å; F92-L102 HydrophobicContact CE1-CD2 3.73Å; F92-L102 HydrophobicContact CE1-CG 4.46Å; F92-Y354 HydrophobicContact CB-CE2 4.21Å; F92-F357 AromaticContact CD2-CD1 3.95Å; F92-F357 HydrophobicContact CD2-CD1 3.95Å; F92-F357 HydrophobicContact CD2-CE1 4.25Å; F92-F357 HydrophobicContact CE1-CE1 4.01Å; F92-F357 AromaticContact CE2-CD1 3.57Å; F92-F357 HydrophobicContact CE2-CD1 3.57Å; F92-F357 AromaticContact CE2-CE1 3.58Å; F92-F357 HydrophobicContact CE2-CE1 3.58Å; F92-F357 AromaticContact CZ-CD1 3.98Å; F92-F357 HydrophobicContact CZ-CD1 3.98Å; F92-F357 AromaticContact CZ-CE1 3.46Å; F92-F357 HydrophobicContact CZ-CE1 3.46Å; F92-F357 VanDerWaalsContact CZ-CE1 3.46Å
93	D	98.4	Very high	98.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.068	C	C	.	.	S	Bend	trans	-91.3	78.7	174.6	-170.6	14.5	0	0	0	110.9	D95 G96 K97 A98 F99 L102 V112 G113	D93-D95 PolarHBondContact O-N 3.3Å; D93-G96 PolarHBondContact OD1-N 3.14Å; D93-G96 VanDerWaalsContact OD1-N 3.16Å; D93-G96 VanDerWaalsContact OD2-CA 3.31Å; D93-G96 WeakPolarHBondContact OD2-CA 3.34Å; D93-K97 PolarHBondContact OD1-N 3.44Å; D93-K97 PolarHBondContact OD2-N 3.21Å; D93-A98 HydrophobicContact CB-CB 4.46Å; D93-A98 VanDerWaalsContact CG-N 3.34Å; D93-A98 PolarHBondContact OD1-N 3Å; D93-A98 PolarHBondContact OD2-N 2.9Å; D93-F99 PolarHBondContact OD2-N 3.4Å; D93-L102 HydrophobicContact CB-CD1 3.83Å; D93-V112 WeakPolarHBondContact O-CA 3.22Å; D93-G113 PolarHBondContact O-N 3.19Å
94	K	98.1	Very high	98.1	Very high	20 Å²	20	13.1 Å²	13.1	9%	0.087	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.1	-172.5	-63.6	-174.2	-176.6	68.1	0	114.1	H50 G91 F92 G113 N144	H50-K94 PolarHBondContact CE1-NZ 2.95Å; H50-K94 PolarHBondContact NE2-NZ 3.04Å; G91-K94 WeakPolarHBondContact O-CE 3.32Å; G91-K94 WeakPolarHBondContact O-CG 3.26Å; G91-K94 PolarHBondContact O-NZ 3.42Å; F92-K94 PolarHBondContact O-N 3.1Å; K94-G113 WeakPolarHBondContact CA-O 3.46Å; K94-G113 VanDerWaalsContact O-CA 3.25Å; K94-G113 WeakPolarHBondContact O-CA 3.3Å; K94-N144 WeakPolarHBondContact CD-ND2 3.19Å; K94-N144 WeakPolarHBondContact CD-OD1 3.5Å; K94-N144 VanDerWaalsContact CE-OD1 3.29Å; K94-N144 WeakPolarHBondContact CE-OD1 3.47Å
95	D	98.5	Very high	98	Very high	16 Å²	16	13.1 Å²	13.1	9%	0.086	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	11	-170.2	-52.1	-58	0	0	0	113.4	D93 K97 S145 D146 V151 R154	D93-D95 PolarHBondContact O-N 3.3Å; D95-K97 HydrophobicContact CB-CD 4.08Å; D95-K97 HydrophobicContact CB-CG 4.21Å; D95-K97 IonicContact OD2-NZ 2.73Å; D95-K97 PolarHBondContact OD2-NZ 3.48Å; D95-S145 WeakPolarHBondContact OD1-CA 3.43Å; D95-D146 HydrophobicContact CB-CB 4.18Å; D95-D146 PolarHBondContact OD1-N 2.92Å; D95-V151 HydrophobicContact CB-CG2 4.14Å; D95-V151 WeakPolarHBondContact O-CG2 3.46Å; D95-R154 WeakPolarHBondContact O-CD 3.33Å; D95-R154 PolarHBondContact O-NH1 3.2Å
96	G	98.5	Very high	98	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.07	C	C	.	.	S	Bend	trans	67.2	41.2	-179.9	0	0	0	0	0	112.4	D93 F99 V112 R154	D93-G96 PolarHBondContact OD1-N 3.14Å; D93-G96 VanDerWaalsContact OD1-N 3.16Å; D93-G96 VanDerWaalsContact OD2-CA 3.31Å; D93-G96 WeakPolarHBondContact OD2-CA 3.34Å; G96-F99 VanDerWaalsContact O-CD1 3.3Å; G96-F99 WeakPolarHBondContact O-CD1 3.4Å; G96-F99 WeakPolarHBondContact O-CE1 3.35Å; G96-V112 VanDerWaalsContact N-CG1 3.31Å; G96-R154 WeakPolarHBondContact O-CD 3.33Å
97	K	98.5	Very high	97.9	Very high	79 Å²	79	12.8 Å²	12.8	34%	0.343	7%	0.07	S	C	.	.	S	Bend	trans	-94.3	-29.9	179.3	-69.7	166.9	178.9	151	0	112	V54 S58 D93 D95 D146	V54-K97 HydrophobicContact CG1-CB 4.13Å; S58-K97 WeakPolarHBondContact CB-O 3.28Å; D93-K97 PolarHBondContact OD1-N 3.44Å; D93-K97 PolarHBondContact OD2-N 3.21Å; D95-K97 HydrophobicContact CB-CD 4.08Å; D95-K97 HydrophobicContact CB-CG 4.21Å; D95-K97 IonicContact OD2-NZ 2.73Å; D95-K97 PolarHBondContact OD2-NZ 3.48Å; K97-D146 WeakPolarHBondContact CE-OD2 3.38Å; K97-D146 VanDerWaalsContact NZ-CG 3.34Å; K97-D146 IonicContact NZ-OD1 3.2Å; K97-D146 PolarHBondContact NZ-OD1 3.22Å; K97-D146 IonicContact NZ-OD2 2.93Å; K97-D146 PolarHBondContact NZ-OD2 2.74Å
98	A	98.3	Very high	97.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.07	C	C	.	.	S	Bend	trans	-118.9	-4.4	-166.8	0	0	0	0	0	114.5	V54 A57 D93 M100 G101 L102	V54-A98 HydrophobicContact CG1-CB 4.01Å; A57-A98 HydrophobicContact CB-CB 3.76Å; D93-A98 HydrophobicContact CB-CB 4.46Å; D93-A98 VanDerWaalsContact CG-N 3.34Å; D93-A98 PolarHBondContact OD1-N 3Å; D93-A98 PolarHBondContact OD2-N 2.9Å; A98-M100 VanDerWaalsContact C-N 3.26Å; A98-M100 PolarHBondContact O-N 3.24Å; A98-M100 VanDerWaalsContact O-N 3.11Å; A98-G101 PolarHBondContact O-N 3.21Å; A98-L102 HydrophobicContact CB-CD1 3.79Å; A98-L102 HydrophobicContact CB-CG 4.19Å; A98-L102 VanDerWaalsContact O-CG 3.31Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.95Å
99	F	98.3	Very high	97.9	Very high	13 Å²	13	12.8 Å²	12.8	6%	0.057	7%	0.07	C	C	.	.	H	α-helix	trans	-51.8	-38.8	-171.6	65.2	-92.1	0	0	0	114.1	D93 G96 L102 L103 I110 V112 L155 P159 W160 I166	D93-F99 PolarHBondContact OD2-N 3.4Å; G96-F99 VanDerWaalsContact O-CD1 3.3Å; G96-F99 WeakPolarHBondContact O-CD1 3.4Å; G96-F99 WeakPolarHBondContact O-CE1 3.35Å; F99-L102 PolarHBondContact O-N 3.28Å; F99-L103 WeakPolarHBondContact O-CG 3.43Å; F99-L103 PolarHBondContact O-N 2.77Å; F99-I110 HydrophobicContact CB-CG2 4.27Å; F99-V112 HydrophobicContact CB-CG2 4.06Å; F99-L155 HydrophobicContact CD1-CD2 3.96Å; F99-L155 HydrophobicContact CE1-CD2 3.59Å; F99-L155 HydrophobicContact CE2-CD2 4.46Å; F99-L155 HydrophobicContact CZ-CD2 3.87Å; F99-P159 HydrophobicContact CE2-CG 3.83Å; F99-P159 HydrophobicContact CZ-CG 3.78Å; F99-W160 HydrophobicContact CD2-CE3 4.12Å; F99-W160 AromaticContact CE2-CE3 3.55Å; F99-W160 HydrophobicContact CE2-CE3 3.55Å; F99-W160 HydrophobicContact CE2-CZ3 4.13Å; F99-W160 HydrophobicContact CZ-CE3 4.15Å; F99-W160 HydrophobicContact CZ-CZ3 4.29Å; F99-I166 HydrophobicContact CB-CD1 3.84Å; F99-I166 HydrophobicContact CD2-CD1 4.03Å; F99-I166 HydrophobicContact CD2-CG1 4.27Å; F99-I166 HydrophobicContact CG-CD1 4.28Å
100	M	97.8	Very high	97.9	Very high	38 Å²	38	12.7 Å²	12.7	19%	0.187	7%	0.069	C	C	.	.	H	α-helix	trans	-64.6	-45.9	175.8	-72.2	-51.1	-51.7	0	0	112.7	A98 L102 L103 N104 P159 W160	A98-M100 VanDerWaalsContact C-N 3.26Å; A98-M100 PolarHBondContact O-N 3.24Å; A98-M100 VanDerWaalsContact O-N 3.11Å; M100-L102 VanDerWaalsContact C-N 3.27Å; M100-L102 PolarHBondContact O-N 2.76Å; M100-L103 PolarHBondContact O-N 3.09Å; M100-L103 HydrophobicContact SD-CD1 4.41Å; M100-N104 WeakPolarHBondContact O-CB 3.42Å; M100-N104 VanDerWaalsContact O-CG 3.26Å; M100-N104 PolarHBondContact O-N 3.29Å; M100-P159 HydrophobicContact SD-CB 4.29Å; M100-W160 HydrophobicContact SD-CB 3.93Å
101	G	97.4	Very high	97.9	Very high	5 Å²	5	12.1 Å²	12.1	5%	0.052	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-38	175.7	0	0	0	0	0	111.9	A57 I62 A98 N104 A105	A57-G101 WeakPolarHBondContact O-CA 3.34Å; I62-G101 WeakPolarHBondContact CD1-O 3.36Å; A98-G101 PolarHBondContact O-N 3.21Å; G101-N104 CarbonylContact O-C 3.57Å; G101-N104 WeakPolarHBondContact O-CB 3.36Å; G101-N104 PolarHBondContact O-N 3.29Å; G101-A105 PolarHBondContact O-N 2.6Å
102	L	98.3	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-70.4	-38.7	179.4	-62.3	162.8	0	0	0	112.3	A57 I62 L88 F92 D93 A98 F99 M100 N104 A105 F107 I110 F357	A57-L102 HydrophobicContact CB-CD2 4.33Å; A57-L102 HydrophobicContact CB-CG 4.48Å; I62-L102 HydrophobicContact CD1-CD2 4.37Å; L88-L102 HydrophobicContact CD2-CB 4.42Å; L88-L102 HydrophobicContact CD2-CD1 3.69Å; L88-L102 HydrophobicContact CD2-CD2 3.92Å; L88-L102 HydrophobicContact CD2-CG 4.21Å; F92-L102 HydrophobicContact CD1-CD1 3.8Å; F92-L102 HydrophobicContact CD1-CD2 4.02Å; F92-L102 HydrophobicContact CE1-CD1 4.07Å; F92-L102 HydrophobicContact CE1-CD2 3.73Å; F92-L102 HydrophobicContact CE1-CG 4.46Å; D93-L102 HydrophobicContact CB-CD1 3.83Å; A98-L102 HydrophobicContact CB-CD1 3.79Å; A98-L102 HydrophobicContact CB-CG 4.19Å; A98-L102 VanDerWaalsContact O-CG 3.31Å; A98-L102 WeakPolarHBondContact O-CG 3.37Å; A98-L102 PolarHBondContact O-N 2.95Å; F99-L102 PolarHBondContact O-N 3.28Å; M100-L102 VanDerWaalsContact C-N 3.27Å; M100-L102 PolarHBondContact O-N 2.76Å; L102-N104 VanDerWaalsContact C-N 3.29Å; L102-N104 PolarHBondContact O-N 2.81Å; L102-A105 WeakPolarHBondContact O-CB 3.45Å; L102-A105 PolarHBondContact O-N 2.91Å; L102-F107 WeakPolarHBondContact O-CD2 3.48Å; L102-I110 HydrophobicContact CB-CD1 3.48Å; L102-I110 VanDerWaalsContact CB-CD1 3.48Å; L102-I110 HydrophobicContact CB-CG1 4.02Å; L102-I110 HydrophobicContact CD1-CG2 4.33Å; L102-F357 HydrophobicContact CD2-CE1 4.02Å; L102-F357 HydrophobicContact CD2-CE2 4.43Å; L102-F357 HydrophobicContact CD2-CZ 3.65Å
103	L	97.8	Very high	98	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.1	-40	169.1	-73.1	175.2	0	0	0	111.4	R67 F99 M100 A105 G106 F107 I110 W160 I166	R67-L103 WeakPolarHBondContact CD-O 3.49Å; R67-L103 PolarHBondContact NH1-O 3.18Å; F99-L103 WeakPolarHBondContact O-CG 3.43Å; F99-L103 PolarHBondContact O-N 2.77Å; M100-L103 PolarHBondContact O-N 3.09Å; M100-L103 HydrophobicContact SD-CD1 4.41Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 3.13Å; L103-G106 PolarHBondContact O-N 2.86Å; L103-F107 WeakPolarHBondContact CD2-O 3.38Å; L103-I110 HydrophobicContact CD2-CG1 3.86Å; L103-I110 HydrophobicContact CG-CG1 3.94Å; L103-W160 HydrophobicContact CD1-CB 3.68Å; L103-I166 HydrophobicContact CD1-CD1 3.93Å; L103-I166 HydrophobicContact CD1-CG1 4.47Å; L103-I166 HydrophobicContact CG-CD1 4.3Å
104	N	96.1	Very high	98	Very high	54 Å²	54	11.5 Å²	11.5	29%	0.289	6%	0.057	S	C	.	.	H	α-helix	trans	-67.4	-26.8	176.3	-75.7	-8.9	0	0	0	112.8	H64 K65 M100 G101 L102 G106	H64-N104 CarbonylContact C-O 3.53Å; H64-N104 VanDerWaalsContact CA-O 3.28Å; H64-N104 WeakPolarHBondContact CA-O 3.36Å; H64-N104 PolarHBondContact CD2-O 2.97Å; K65-N104 PolarHBondContact N-O 3.24Å; M100-N104 WeakPolarHBondContact O-CB 3.42Å; M100-N104 VanDerWaalsContact O-CG 3.26Å; M100-N104 PolarHBondContact O-N 3.29Å; G101-N104 CarbonylContact O-C 3.57Å; G101-N104 WeakPolarHBondContact O-CB 3.36Å; G101-N104 PolarHBondContact O-N 3.29Å; L102-N104 VanDerWaalsContact C-N 3.29Å; L102-N104 PolarHBondContact O-N 2.81Å; N104-G106 PolarHBondContact O-N 3.43Å
105	A	95.9	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.2	174	0	0	0	0	0	114	I62 G101 L102 L103 P362	I62-A105 HydrophobicContact CD1-CB 3.81Å; I62-A105 HydrophobicContact CG1-CB 4.43Å; G101-A105 PolarHBondContact O-N 2.6Å; L102-A105 WeakPolarHBondContact O-CB 3.45Å; L102-A105 PolarHBondContact O-N 2.91Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 3.13Å; A105-P362 HydrophobicContact CB-CB 4.19Å
106	G	96.7	Very high	98.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	14.7	174.5	0	0	0	0	0	114.9	H84 L103 N104	H84-G106 PolarHBondContact CE1-O 3.5Å; H84-G106 PolarHBondContact NE2-O 3.27Å; L103-G106 PolarHBondContact O-N 2.86Å; N104-G106 PolarHBondContact O-N 3.43Å
107	F	98.2	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.055	C	C	.	.			trans	-81	133.9	168.1	-74.9	-70.9	0	0	0	111	R67 I86 G87 L88 L102 L103 H109 I110 L353 F357 A365	R67-F107 WeakPolarHBondContact CD-O 3.5Å; I86-F107 HydrophobicContact CG2-CD1 4.41Å; I86-F107 HydrophobicContact CG2-CE1 4.45Å; G87-F107 WeakPolarHBondContact O-CD1 3.34Å; G87-F107 VanDerWaalsContact O-CE1 3.27Å; G87-F107 WeakPolarHBondContact O-CE1 3.32Å; L88-F107 HydrophobicContact CB-CD1 4.06Å; L88-F107 HydrophobicContact CB-CD2 4.17Å; L88-F107 HydrophobicContact CB-CE1 4Å; L88-F107 HydrophobicContact CB-CE2 4.11Å; L88-F107 HydrophobicContact CB-CG 4.15Å; L88-F107 HydrophobicContact CB-CZ 4.02Å; L88-F107 HydrophobicContact CD1-CE1 4.34Å; L88-F107 HydrophobicContact CD1-CE2 4.09Å; L88-F107 HydrophobicContact CD1-CZ 3.75Å; L88-F107 HydrophobicContact CD2-CE2 4.31Å; L88-F107 HydrophobicContact CG-CE2 4.41Å; L88-F107 HydrophobicContact CG-CZ 4.38Å; L102-F107 WeakPolarHBondContact O-CD2 3.48Å; L103-F107 WeakPolarHBondContact CD2-O 3.38Å; F107-H109 VanDerWaalsContact C-N 3.33Å; F107-I110 HydrophobicContact CB-CD1 3.54Å; F107-I110 HydrophobicContact CD2-CD1 3.98Å; F107-I110 HydrophobicContact CG-CD1 3.93Å; F107-L353 HydrophobicContact CE1-CB 4.1Å; F107-L353 HydrophobicContact CE1-CD1 4.01Å; F107-L353 HydrophobicContact CE1-CG 4.19Å; F107-L353 HydrophobicContact CZ-CB 4.47Å; F107-F357 AromaticContact CE2-CD2 3.6Å; F107-F357 HydrophobicContact CE2-CD2 3.6Å; F107-F357 AromaticContact CE2-CE2 3.49Å; F107-F357 HydrophobicContact CE2-CE2 3.49Å; F107-F357 VanDerWaalsContact CE2-CE2 3.49Å; F107-F357 HydrophobicContact CE2-CG 4.49Å; F107-F357 HydrophobicContact CE2-CZ 4.38Å; F107-F357 AromaticContact CZ-CD2 3.69Å; F107-F357 HydrophobicContact CZ-CD2 3.69Å; F107-F357 HydrophobicContact CZ-CE2 4.09Å; F107-F357 HydrophobicContact CZ-CG 4.42Å; F107-A365 HydrophobicContact CD1-CB 3.58Å; F107-A365 HydrophobicContact CD2-CB 3.95Å; F107-A365 HydrophobicContact CE1-CB 3.64Å; F107-A365 HydrophobicContact CE2-CB 3.99Å; F107-A365 HydrophobicContact CG-CB 3.75Å; F107-A365 HydrophobicContact CZ-CB 3.84Å
108	S	98.2	Very high	98.1	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	7%	0.065	C	C	.	.	S	Bend	trans	-69.1	-32.2	175.2	64.7	0	0	0	0	112.9	H84 I86 V165	H84-S108 PolarHBondContact CE1-N 3.1Å; H84-S108 VanDerWaalsContact CE1-N 3.35Å; H84-S108 PolarHBondContact NE2-N 3.45Å; H84-S108 WeakPolarHBondContact O-CB 2.93Å; H84-S108 PolarHBondContact O-OG 3.35Å; I86-S108 WeakPolarHBondContact O-CB 3.31Å; I86-S108 PolarHBondContact O-N 3.15Å; I86-S108 PolarHBondContact O-OG 3.37Å; S108-V165 PolarHBondContact O-N 2.95Å; S108-V165 VanDerWaalsContact O-N 3.14Å
109	H	98.7	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147	-177.4	66.1	-82	0	0	0	112	F82 G87 L88 F107 V165 Q352	F82-H109 HydrophobicContact CD1-CB 3.84Å; F82-H109 AromaticContact CD1-CG 3.92Å; F82-H109 AromaticContact CD1-ND1 3.64Å; F82-H109 HydrophobicContact CE1-CB 3.63Å; F82-H109 AromaticContact CE1-CG 3.71Å; F82-H109 AromaticContact CE1-ND1 3.81Å; G87-H109 CarbonylContact C-O 3.52Å; G87-H109 WeakPolarHBondContact CA-CE1 3.46Å; G87-H109 WeakPolarHBondContact CA-ND1 3.48Å; G87-H109 WeakPolarHBondContact CA-O 3.42Å; G87-H109 PolarHBondContact N-CE1 3.39Å; L88-H109 PolarHBondContact N-O 2.98Å; F107-H109 VanDerWaalsContact C-N 3.33Å; H109-V165 CarbonylContact C-O 3.59Å; H109-V165 WeakPolarHBondContact CA-O 3.09Å; H109-V165 HydrophobicContact CB-CB 3.81Å; H109-V165 HydrophobicContact CB-CG1 4.4Å; H109-V165 WeakPolarHBondContact CB-O 3.41Å; H109-Q352 WeakPolarHBondContact NE2-CG 3.39Å
110	I	98.8	Very high	98.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.8	178	-51.6	-62.6	0	0	0	108.7	L88 F99 L102 L103 F107 V112 V165 I166 G167	L88-I110 HydrophobicContact CB-CD1 3.69Å; L88-I110 HydrophobicContact CD2-CD1 4.14Å; L88-I110 HydrophobicContact CD2-CG2 4.46Å; F99-I110 HydrophobicContact CB-CG2 4.27Å; L102-I110 HydrophobicContact CB-CD1 3.48Å; L102-I110 VanDerWaalsContact CB-CD1 3.48Å; L102-I110 HydrophobicContact CB-CG1 4.02Å; L102-I110 HydrophobicContact CD1-CG2 4.33Å; L103-I110 HydrophobicContact CD2-CG1 3.86Å; L103-I110 HydrophobicContact CG-CG1 3.94Å; F107-I110 HydrophobicContact CB-CD1 3.54Å; F107-I110 HydrophobicContact CD2-CD1 3.98Å; F107-I110 HydrophobicContact CG-CD1 3.93Å; I110-V112 HydrophobicContact CG2-CG2 4.33Å; I110-V165 PolarHBondContact N-O 3.49Å; I110-I166 HydrophobicContact CB-CD1 3.68Å; I110-I166 HydrophobicContact CG1-CD1 4.07Å; I110-I166 WeakPolarHBondContact O-CA 3.14Å; I110-G167 PolarHBondContact O-N 3.32Å
111	E	98.9	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101.8	168.4	-170.7	-175.7	124.3	0	0	108.8	L88 A90 N169 V198 K241 I269 Q352	L88-E111 WeakPolarHBondContact O-CB 3.48Å; L88-E111 PolarHBondContact O-N 2.97Å; A90-E111 VanDerWaalsContact CA-O 3.24Å; A90-E111 WeakPolarHBondContact CA-O 3.21Å; A90-E111 HydrophobicContact CB-CB 4.41Å; A90-E111 HydrophobicContact CB-CG 3.85Å; A90-E111 WeakPolarHBondContact CB-OE1 3.33Å; A90-E111 PolarHBondContact N-O 3.01Å; E111-N169 HydrophobicContact CG-CB 3.91Å; E111-N169 PolarHBondContact OE1-ND2 3.16Å; E111-V198 HydrophobicContact CG-CG2 4.19Å; E111-K241 IonicContact OE1-NZ 3.83Å; E111-K241 PolarHBondContact OE1-NZ 3.01Å; E111-I269 VanDerWaalsContact OE2-CD1 3.29Å; E111-I269 WeakPolarHBondContact OE2-CD1 3.41Å; E111-Q352 PolarHBondContact OE2-NE2 2.79Å; E111-Q352 PolarHBondContact OE2-OE1 3.44Å
112	V	98.9	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.7	174.3	168.4	0	0	0	0	109.5	D93 G96 F99 I110 V115 V151 I166 G167 N169	D93-V112 WeakPolarHBondContact O-CA 3.22Å; G96-V112 VanDerWaalsContact N-CG1 3.31Å; F99-V112 HydrophobicContact CB-CG2 4.06Å; I110-V112 HydrophobicContact CG2-CG2 4.33Å; V112-V115 HydrophobicContact CG1-CG2 4.48Å; V112-V151 HydrophobicContact CG1-CG1 4.15Å; V112-I166 HydrophobicContact CG2-CG2 4.17Å; V112-G167 PolarHBondContact N-O 3.13Å; V112-N169 WeakPolarHBondContact O-CB 3.35Å; V112-N169 PolarHBondContact O-N 3.08Å
113	G	98.5	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.6	-169.2	174.9	0	0	0	0	0	114.3	G91 D93 K94	G91-G113 WeakPolarHBondContact CA-O 3.17Å; G91-G113 PolarHBondContact N-O 3.12Å; D93-G113 PolarHBondContact O-N 3.19Å; K94-G113 WeakPolarHBondContact CA-O 3.46Å; K94-G113 VanDerWaalsContact O-CA 3.25Å; K94-G113 WeakPolarHBondContact O-CA 3.3Å
114	T	98.7	Very high	97.5	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.3	125.6	8.5	-57.4	0	0	0	0	113.6	F143 N169 L170 G171 N200	T114-F143 HydrophobicContact CG2-CD1 3.74Å; T114-F143 HydrophobicContact CG2-CD2 4.19Å; T114-F143 HydrophobicContact CG2-CE1 3.65Å; T114-F143 HydrophobicContact CG2-CE2 4.11Å; T114-F143 HydrophobicContact CG2-CG 4.02Å; T114-F143 HydrophobicContact CG2-CZ 3.83Å; T114-F143 WeakPolarHBondContact OG1-CE1 3.43Å; T114-N169 CarbonylContact C-O 3.59Å; T114-N169 VanDerWaalsContact CA-O 3.3Å; T114-N169 WeakPolarHBondContact CA-O 3.3Å; T114-N169 WeakPolarHBondContact CB-OD1 3.2Å; T114-N169 WeakPolarHBondContact CG2-OD1 3.42Å; T114-N169 PolarHBondContact OG1-OD1 2.77Å; T114-L170 VanDerWaalsContact CG2-C 3.48Å; T114-G171 VanDerWaalsContact CG2-CA 3.44Å; T114-G171 VanDerWaalsContact CG2-N 3.27Å; T114-N200 PolarHBondContact OG1-ND2 3.34Å
115	V	98.8	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.8	177.1	-160.1	0	0	0	0	109.9	V112 V151 V168 N169 G171 F190	V112-V115 HydrophobicContact CG1-CG2 4.48Å; V115-V151 HydrophobicContact CG1-CB 3.97Å; V115-V151 HydrophobicContact CG1-CG1 4.49Å; V115-V151 HydrophobicContact CG1-CG2 3.6Å; V115-V151 HydrophobicContact CG2-CB 4.39Å; V115-V151 HydrophobicContact CG2-CG1 4.03Å; V115-V151 HydrophobicContact CG2-CG2 4.15Å; V115-V168 HydrophobicContact CG2-CG1 4.08Å; V115-N169 PolarHBondContact N-O 3.04Å; V115-G171 PolarHBondContact O-N 2.96Å; V115-F190 HydrophobicContact CG1-CE2 4.47Å; V115-F190 HydrophobicContact CG1-CZ 4.31Å
116	T	98.7	Very high	97.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.			trans	-112.1	157.1	176.6	56.5	0	0	0	0	111	N118 Q120 F143 S145 G147 H148 C172 N173	T116-N118 PolarHBondContact O-N 2.66Å; T116-N118 PolarHBondContact OG1-O 2.79Å; T116-Q120 HydrophobicContact CG2-CG 4.47Å; T116-F143 HydrophobicContact CG2-CB 3.87Å; T116-S145 PolarHBondContact N-OG 2.78Å; T116-S145 VanDerWaalsContact OG1-CB 3.24Å; T116-S145 WeakPolarHBondContact OG1-CB 3.33Å; T116-S145 PolarHBondContact OG1-OG 3.29Å; T116-G147 CarbonylContact O-C 3.49Å; T116-G147 VanDerWaalsContact O-CA 3.27Å; T116-G147 WeakPolarHBondContact O-CA 3.47Å; T116-H148 VanDerWaalsContact C-NE2 3.32Å; T116-H148 PolarHBondContact O-CD2 3.31Å; T116-H148 PolarHBondContact O-N 3.11Å; T116-C172 WeakPolarHBondContact CG2-O 3.26Å; T116-N173 WeakPolarHBondContact CB-ND2 3.42Å; T116-N173 PolarHBondContact OG1-ND2 3.48Å
117	P	98.6	Very high	97.2	Very high	22 Å²	22	37.8 Å²	37.8	14%	0.143	22%	0.215	C	C	.	.	S	Bend	trans	-53.5	-58.9	179.3	-25.6	30.9	0	0	0	113.6	H148 N173 D182	P117-H148 VanDerWaalsContact CA-CE1 3.49Å; P117-H148 WeakPolarHBondContact CA-CE1 3.35Å; P117-H148 WeakPolarHBondContact CA-ND1 3.46Å; P117-H148 PolarHBondContact O-N 2.81Å; P117-N173 WeakPolarHBondContact CD-OD1 3.43Å; P117-D182 HydrophobicContact CG-CB 3.51Å
118	N	98.4	Very high	97.2	Very high	103 Å²	103	38.4 Å²	38.4	55%	0.551	22%	0.218	S	C	*	.	S	Bend	trans	-93.5	151.1	176.6	-57.8	-65.4	0	0	0	110.4	T116 N173	T116-N118 PolarHBondContact O-N 2.66Å; T116-N118 PolarHBondContact OG1-O 2.79Å; N118-N173 WeakPolarHBondContact CB-OD1 3.4Å; N118-N173 PolarHBondContact N-OD1 3.15Å; N118-N173 PolarHBondContact ND2-OD1 3.47Å; N118-N173 PolarHBondContact O-ND2 3.16Å
119	P	98.3	Very high	97.1	Very high	94 Å²	94	39.6 Å²	39.6	61%	0.61	22%	0.223	S	C	*	.			trans	-57.7	140.9	169.9	-16.8	27	0	0	0	111.1	S145 D146	P119-S145 CarbonylContact C-O 3.53Å; P119-S145 WeakPolarHBondContact CA-O 3.34Å; P119-D146 WeakPolarHBondContact CG-O 2.98Å
120	Q	97.7	Very high	97	Very high	34 Å²	34	41.9 Å²	41.9	16%	0.159	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-153	147	172.7	64.4	174.9	50.4	0	0	112.4	T116 G122 G142 F143 N144 S145 N173	T116-Q120 HydrophobicContact CG2-CG 4.47Å; Q120-G122 VanDerWaalsContact C-N 3.33Å; Q120-G122 PolarHBondContact O-N 3.38Å; Q120-G142 PolarHBondContact NE2-O 2.85Å; Q120-F143 WeakPolarHBondContact CG-O 3.34Å; Q120-F143 PolarHBondContact NE2-O 3.08Å; Q120-N144 WeakPolarHBondContact O-CA 3.43Å; Q120-S145 PolarHBondContact N-O 3.41Å; Q120-S145 PolarHBondContact O-N 3.32Å; Q120-N173 PolarHBondContact OE1-ND2 3.17Å
121	L	96.6	Very high	96.9	Very high	156 Å²	156	43.2 Å²	43.2	82%	0.817	24%	0.237	S	C	*	.			trans	-74.6	-21.3	-177.8	-64.2	178.7	0	0	0	113.8	R127 N144	L121-R127 PolarHBondContact O-NH1 2.84Å; L121-R127 PolarHBondContact O-NH2 3.07Å; L121-R127 VanDerWaalsContact O-NH2 3.13Å; L121-N144 WeakPolarHBondContact O-CB 3.31Å
122	G	94.9	Very high	96.8	Very high	21 Å²	21	46 Å²	46	22%	0.216	25%	0.254	C	S	.	.			trans	80.9	-156.1	-169.6	0	0	0	0	0	113.5	Q120 C141 G142	Q120-G122 VanDerWaalsContact C-N 3.33Å; Q120-G122 PolarHBondContact O-N 3.38Å; G122-C141 CarbonylContact C-O 3.54Å; G122-C141 VanDerWaalsContact CA-O 3.31Å; G122-C141 WeakPolarHBondContact CA-O 3.44Å; G122-G142 WeakPolarHBondContact CA-O 3.22Å
123	N	94.6	Very high	96.6	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.193	29%	0.289	C	S	.	.	S	Bend	trans	-78.1	162.1	179.3	-63.9	-34	0	0	0	112.4	R127 R140 C141 G142 K174 N205	N123-R127 WeakPolarHBondContact O-CD 3.47Å; N123-R127 PolarHBondContact O-NH1 3.39Å; N123-R140 VanDerWaalsContact CB-O 3.3Å; N123-R140 WeakPolarHBondContact CB-O 3.11Å; N123-R140 PolarHBondContact ND2-O 2.86Å; N123-C141 PolarHBondContact N-O 2.77Å; N123-G142 WeakPolarHBondContact ND2-CA 3.31Å; N123-K174 PolarHBondContact OD1-NZ 3.09Å; N123-N205 PolarHBondContact ND2-O 3.33Å
124	A	93.5	Very high	96.6	Very high	86 Å²	86	58.6 Å²	58.6	71%	0.711	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-61.1	149.4	179.9	0	0	0	0	0	113.1
125	R	93.5	Very high	96.5	Very high	152 Å²	152	60.8 Å²	60.8	57%	0.574	32%	0.321	S	S	*	.	S	Bend	trans	-83.8	154.2	173.2	-66.4	-175.5	177.4	169.6	0.5	110.9	E47 R127	E47-R125 IonicContact OE1-CZ 2.81Å; E47-R125 IonicContact OE1-NE 2.92Å; E47-R125 PolarHBondContact OE1-NE 3.06Å; E47-R125 IonicContact OE1-NH2 3.34Å; E47-R125 PolarHBondContact OE1-NH2 3.23Å; E47-R125 WeakPolarHBondContact OE2-CG 3.46Å; E47-R125 IonicContact OE2-CZ 3.98Å; E47-R125 IonicContact OE2-NE 2.72Å; E47-R125 PolarHBondContact OE2-NE 3.35Å; R125-R127 HydrophobicContact CG-CG 4.37Å
126	P	94	Very high	96.5	Very high	65 Å²	65	60.8 Å²	60.8	42%	0.422	32%	0.321	S	S	.	.	P	Polyproline II helix	cis	-73.4	145.2	-5.6	30.6	-34.9	0	0	0	112.4	F129	P126-F129 HydrophobicContact CB-CE1 3.91Å; P126-F129 HydrophobicContact CB-CZ 3.83Å; P126-F129 HydrophobicContact CG-CE1 4.06Å; P126-F129 HydrophobicContact CG-CZ 3.96Å; P126-F129 VanDerWaalsContact O-CZ 3.29Å; P126-F129 WeakPolarHBondContact O-CZ 3.27Å
127	R	95.6	Very high	96.5	Very high	11 Å²	11	61 Å²	61	4%	0.042	32%	0.322	C	S	.	.			trans	-147.1	6.7	-171.9	65.7	-164.7	-174	161.5	-0.6	115.4	E47 L121 N123 R125 N139 R140 C141	E47-R127 IonicContact OE1-CZ 3.72Å; E47-R127 IonicContact OE1-NE 3.06Å; E47-R127 PolarHBondContact OE1-NE 2.81Å; E47-R127 IonicContact OE1-NH2 3.72Å; E47-R127 PolarHBondContact OE1-NH2 2.99Å; E47-R127 WeakPolarHBondContact OE2-CD 3.36Å; E47-R127 VanDerWaalsContact OE2-CG 3.22Å; E47-R127 WeakPolarHBondContact OE2-CG 3.3Å; E47-R127 IonicContact OE2-CZ 3Å; E47-R127 IonicContact OE2-NE 3.38Å; E47-R127 PolarHBondContact OE2-NE 2.81Å; E47-R127 IonicContact OE2-NH2 2.66Å; L121-R127 PolarHBondContact O-NH1 2.84Å; L121-R127 PolarHBondContact O-NH2 3.07Å; L121-R127 VanDerWaalsContact O-NH2 3.13Å; N123-R127 WeakPolarHBondContact O-CD 3.47Å; N123-R127 PolarHBondContact O-NH1 3.39Å; R125-R127 HydrophobicContact CG-CG 4.37Å; R127-N139 CarbonylContact O-C 3.43Å; R127-N139 VanDerWaalsContact O-CA 3.3Å; R127-N139 WeakPolarHBondContact O-CA 3Å; R127-R140 HydrophobicContact CB-CG 3.75Å; R127-R140 PolarHBondContact O-N 2.96Å; R127-C141 PolarHBondContact NH1-O 2.81Å
128	I	97.3	Very high	96.5	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.9	172.3	-60.1	-177.1	0	0	0	106.9	E47 H50 V137 N139 C141	E47-I128 HydrophobicContact CB-CB 4.45Å; E47-I128 HydrophobicContact CB-CD1 4.01Å; E47-I128 HydrophobicContact CB-CG1 4.35Å; E47-I128 HydrophobicContact CG-CD1 4.08Å; H50-I128 HydrophobicContact CB-CD1 4.46Å; I128-V137 HydrophobicContact CG2-CG1 4.07Å; I128-N139 HydrophobicContact CG1-CB 4.38Å; I128-C141 VanDerWaalsContact CG1-SG 3.54Å
129	F	97.2	Very high	96.4	Very high	25 Å²	25	56.3 Å²	56.3	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.1	-174.5	-53.1	-89.6	0	0	0	108.9	P126 V137 V138 R140 C284 G285 A286	P126-F129 HydrophobicContact CB-CE1 3.91Å; P126-F129 HydrophobicContact CB-CZ 3.83Å; P126-F129 HydrophobicContact CG-CE1 4.06Å; P126-F129 HydrophobicContact CG-CZ 3.96Å; P126-F129 VanDerWaalsContact O-CZ 3.29Å; P126-F129 WeakPolarHBondContact O-CZ 3.27Å; F129-V137 CarbonylContact O-C 3.55Å; F129-V137 WeakPolarHBondContact O-CA 3.48Å; F129-V138 HydrophobicContact CB-CB 4.37Å; F129-V138 PolarHBondContact N-O 3.33Å; F129-V138 PolarHBondContact O-N 3Å; F129-R140 HydrophobicContact CE2-CG 4.5Å; F129-R140 VanDerWaalsContact CE2-CZ 3.44Å; F129-C284 VanDerWaalsContact CB-SG 3.52Å; F129-G285 WeakPolarHBondContact CD1-O 3.21Å; F129-G285 WeakPolarHBondContact CE1-O 3.22Å; F129-A286 HydrophobicContact CB-CB 4.11Å; F129-A286 HydrophobicContact CD1-CB 4.17Å; F129-A286 HydrophobicContact CD2-CB 3.57Å; F129-A286 HydrophobicContact CE2-CB 4Å; F129-A286 HydrophobicContact CG-CB 3.68Å; F129-A286 HydrophobicContact CZ-CB 4.47Å
130	R	96.5	Very high	96.3	Very high	48 Å²	48	52.9 Å²	52.9	18%	0.181	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.5	178.7	-70.7	-179.7	-64.6	-160.4	2	108.8	R40 V43 R44 T132 V137	R40-R130 VanDerWaalsContact CG-NH1 3.28Å; R40-R130 PolarHBondContact O-NH2 2.95Å; V43-R130 PolarHBondContact O-NH1 3.42Å; V43-R130 PolarHBondContact O-NH2 2.77Å; R44-R130 PolarHBondContact O-NH2 2.85Å; R130-T132 PolarHBondContact O-N 2.88Å; R130-V137 HydrophobicContact CG-CG2 4.47Å
131	W	96.7	Very high	96.3	Very high	30 Å²	30	51.6 Å²	51.6	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	83.2	168.8	-164.2	5.6	0	0	0	108.6	E133 K134 E135 A136 E280 A283 C284 L302 Y359	W131-E133 VanDerWaalsContact C-N 3.33Å; W131-E133 VanDerWaalsContact CD1-OE2 3.24Å; W131-E133 PolarHBondContact O-N 2.86Å; W131-K134 HydrophobicContact CD2-CB 3.72Å; W131-K134 HydrophobicContact CD2-CG 3.54Å; W131-K134 HydrophobicContact CE3-CB 3.97Å; W131-K134 HydrophobicContact CE3-CG 3.93Å; W131-K134 HydrophobicContact CG-CB 3.96Å; W131-K134 HydrophobicContact CG-CG 4.09Å; W131-K134 HydrophobicContact CH2-CG 3.91Å; W131-K134 HydrophobicContact CZ2-CD 4.46Å; W131-K134 HydrophobicContact CZ2-CG 3.52Å; W131-K134 HydrophobicContact CZ3-CB 4.48Å; W131-K134 HydrophobicContact CZ3-CG 4.09Å; W131-K134 CarbonylContact O-C 3.42Å; W131-K134 PolarHBondContact O-N 3.46Å; W131-K134 VanDerWaalsContact O-N 3.17Å; W131-E135 PolarHBondContact O-N 3.49Å; W131-E135 VanDerWaalsContact O-N 3.13Å; W131-A136 HydrophobicContact CB-CB 3.86Å; W131-A136 HydrophobicContact CE3-CB 4.21Å; W131-A136 PolarHBondContact N-O 3.13Å; W131-A136 PolarHBondContact O-N 3.4Å; W131-E280 HydrophobicContact CH2-CB 4.16Å; W131-E280 HydrophobicContact CH2-CG 3.86Å; W131-E280 HydrophobicContact CZ3-CB 3.84Å; W131-E280 HydrophobicContact CZ3-CG 3.72Å; W131-A283 HydrophobicContact CH2-CB 4.31Å; W131-A283 HydrophobicContact CZ2-CB 3.59Å; W131-C284 HydrophobicContact CB-CB 3.96Å; W131-C284 HydrophobicContact CD2-CB 4.32Å; W131-C284 HydrophobicContact CG-CB 4.07Å; W131-L302 HydrophobicContact CE3-CD1 4.31Å; W131-Y359 PolarHBondContact O-OH 3.13Å
132	T	95.2	Very high	96.2	Very high	60 Å²	60	44.3 Å²	44.3	37%	0.368	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.9	-40.2	-166.9	-58.4	0	0	0	0	111.6	R130 K134 E135 Y359	R130-T132 PolarHBondContact O-N 2.88Å; T132-K134 PolarHBondContact O-N 2.77Å; T132-K134 VanDerWaalsContact O-N 3.17Å; T132-E135 PolarHBondContact O-N 3.18Å; T132-E135 VanDerWaalsContact O-N 3.08Å; T132-Y359 HydrophobicContact CG2-CE1 4.21Å
133	E	96.2	Very high	96.3	Very high	154 Å²	154	44.1 Å²	44.1	72%	0.72	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-61.6	-24.4	179.8	-59	78.5	-171.9	0	0	112.7	W131	W131-E133 VanDerWaalsContact C-N 3.33Å; W131-E133 VanDerWaalsContact CD1-OE2 3.24Å; W131-E133 PolarHBondContact O-N 2.86Å
134	K	97.7	Very high	96.4	Very high	109 Å²	109	43.4 Å²	43.4	47%	0.474	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-109.8	7.4	179.3	-63.2	-59.1	-173.9	179.9	0	113.2	W131 T132 A136 P306	W131-K134 HydrophobicContact CD2-CB 3.72Å; W131-K134 HydrophobicContact CD2-CG 3.54Å; W131-K134 HydrophobicContact CE3-CB 3.97Å; W131-K134 HydrophobicContact CE3-CG 3.93Å; W131-K134 HydrophobicContact CG-CB 3.96Å; W131-K134 HydrophobicContact CG-CG 4.09Å; W131-K134 HydrophobicContact CH2-CG 3.91Å; W131-K134 HydrophobicContact CZ2-CD 4.46Å; W131-K134 HydrophobicContact CZ2-CG 3.52Å; W131-K134 HydrophobicContact CZ3-CB 4.48Å; W131-K134 HydrophobicContact CZ3-CG 4.09Å; W131-K134 CarbonylContact O-C 3.42Å; W131-K134 PolarHBondContact O-N 3.46Å; W131-K134 VanDerWaalsContact O-N 3.17Å; T132-K134 PolarHBondContact O-N 2.77Å; T132-K134 VanDerWaalsContact O-N 3.17Å; K134-A136 HydrophobicContact CB-CB 4.08Å; K134-A136 PolarHBondContact O-N 3.37Å; K134-P306 HydrophobicContact CB-CG 4.07Å
135	E	97.6	Very high	96.7	Very high	57 Å²	57	39.6 Å²	39.6	27%	0.266	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	46.8	-171.5	-61.2	-172.8	137.3	0	0	111.4	W131 T132 G304 R305 T355 Y359	W131-E135 PolarHBondContact O-N 3.49Å; W131-E135 VanDerWaalsContact O-N 3.13Å; T132-E135 PolarHBondContact O-N 3.18Å; T132-E135 VanDerWaalsContact O-N 3.08Å; E135-G304 WeakPolarHBondContact O-CA 3.38Å; E135-R305 HydrophobicContact CB-CG 3.91Å; E135-R305 PolarHBondContact O-N 3.4Å; E135-T355 WeakPolarHBondContact O-CG2 3.41Å; E135-Y359 HydrophobicContact CB-CD2 4.07Å; E135-Y359 HydrophobicContact CB-CE2 4.31Å; E135-Y359 HydrophobicContact CB-CG 4.32Å
136	A	98.5	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.9	-172.1	0	0	0	0	0	112	W131 K134 L302 S303 P306 Y359	W131-A136 HydrophobicContact CB-CB 3.86Å; W131-A136 HydrophobicContact CE3-CB 4.21Å; W131-A136 PolarHBondContact N-O 3.13Å; W131-A136 PolarHBondContact O-N 3.4Å; K134-A136 HydrophobicContact CB-CB 4.08Å; K134-A136 PolarHBondContact O-N 3.37Å; A136-L302 HydrophobicContact CB-CD1 3.79Å; A136-S303 CarbonylContact C-O 3.55Å; A136-S303 WeakPolarHBondContact CA-O 3.33Å; A136-S303 WeakPolarHBondContact CB-O 3.44Å; A136-P306 HydrophobicContact CB-CG 4.1Å; A136-Y359 PolarHBondContact O-OH 2.78Å
137	V	98.2	Very high	97.1	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.9	171.9	173.9	0	0	0	0	108.6	I128 F129 R130 S303 T355 V358 Y359	I128-V137 HydrophobicContact CG2-CG1 4.07Å; F129-V137 CarbonylContact O-C 3.55Å; F129-V137 WeakPolarHBondContact O-CA 3.48Å; R130-V137 HydrophobicContact CG-CG2 4.47Å; V137-S303 PolarHBondContact N-O 3.47Å; V137-S303 PolarHBondContact O-N 3.45Å; V137-S303 PolarHBondContact O-OG 2.93Å; V137-T355 HydrophobicContact CG2-CG2 3.99Å; V137-V358 HydrophobicContact CG2-CG1 4.48Å; V137-Y359 HydrophobicContact CG2-CE2 4.26Å
138	V	98.1	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122	166.8	175.3	0	0	0	0	107.4	F129 T276 C284 A286 G301 L302	F129-V138 HydrophobicContact CB-CB 4.37Å; F129-V138 PolarHBondContact N-O 3.33Å; F129-V138 PolarHBondContact O-N 3Å; V138-T276 HydrophobicContact CG1-CG2 4.15Å; V138-T276 HydrophobicContact CG2-CG2 3.72Å; V138-C284 HydrophobicContact CG2-CB 4.12Å; V138-A286 HydrophobicContact CB-CB 4.35Å; V138-A286 HydrophobicContact CG1-CB 3.95Å; V138-G301 WeakPolarHBondContact CA-O 3.27Å; V138-L302 HydrophobicContact CG2-CB 4.47Å; V138-L302 HydrophobicContact CG2-CD1 3.84Å
139	N	97.2	Very high	97.4	Very high	28 Å²	28	36 Å²	36	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.2	176.2	80.6	95.2	0	0	0	111.3	R127 I128 N205 G300 G301	R127-N139 CarbonylContact O-C 3.43Å; R127-N139 VanDerWaalsContact O-CA 3.3Å; R127-N139 WeakPolarHBondContact O-CA 3Å; I128-N139 HydrophobicContact CG1-CB 4.38Å; N139-N205 PolarHBondContact O-ND2 3.09Å; N139-N205 PolarHBondContact O-OD1 2.95Å; N139-N205 PolarHBondContact OD1-ND2 2.95Å; N139-G300 CarbonylContact O-C 3.54Å; N139-G300 WeakPolarHBondContact O-CA 3.36Å; N139-G301 PolarHBondContact N-O 2.93Å; N139-G301 PolarHBondContact ND2-O 3.06Å; N139-G301 PolarHBondContact O-N 2.83Å
140	R	96.1	Very high	97.4	Very high	22 Å²	22	36.5 Å²	36.5	8%	0.083	18%	0.184	C	C	.	.			trans	-130.5	38.4	174.6	58.7	178.9	170.2	-124.7	8.5	112.9	N123 R127 F129 G142 N205 A286 Y299	N123-R140 VanDerWaalsContact CB-O 3.3Å; N123-R140 WeakPolarHBondContact CB-O 3.11Å; N123-R140 PolarHBondContact ND2-O 2.86Å; R127-R140 HydrophobicContact CB-CG 3.75Å; R127-R140 PolarHBondContact O-N 2.96Å; F129-R140 HydrophobicContact CE2-CG 4.5Å; F129-R140 VanDerWaalsContact CE2-CZ 3.44Å; R140-G142 PolarHBondContact O-N 2.92Å; R140-N205 VanDerWaalsContact CA-CG 3.47Å; R140-N205 WeakPolarHBondContact CA-OD1 3.33Å; R140-A286 VanDerWaalsContact CZ-O 3.29Å; R140-A286 PolarHBondContact NH1-O 2.65Å; R140-A286 PolarHBondContact NH2-O 2.8Å; R140-Y299 PolarHBondContact NH1-O 2.81Å
141	C	96.3	Very high	97.6	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.041	18%	0.176	C	C	.	.			trans	-63.3	-37.5	-170	-63.3	0	0	0	0	115.1	G122 N123 R127 I128 N144	G122-C141 CarbonylContact C-O 3.54Å; G122-C141 VanDerWaalsContact CA-O 3.31Å; G122-C141 WeakPolarHBondContact CA-O 3.44Å; N123-C141 PolarHBondContact N-O 2.77Å; R127-C141 PolarHBondContact NH1-O 2.81Å; I128-C141 VanDerWaalsContact CG1-SG 3.54Å; C141-N144 WeakPolarHBondContact CB-OD1 3.48Å
142	G	95.3	Very high	97.7	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	18%	0.182	C	C	.	.			trans	68.8	52.1	178.9	0	0	0	0	0	114.4	Q120 G122 N123 R140 N144	Q120-G142 PolarHBondContact NE2-O 2.85Å; G122-G142 WeakPolarHBondContact CA-O 3.22Å; N123-G142 WeakPolarHBondContact ND2-CA 3.31Å; R140-G142 PolarHBondContact O-N 2.92Å; G142-N144 PolarHBondContact O-N 2.7Å
143	F	96.7	Very high	97.8	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.07	19%	0.187	C	C	.	.			trans	48.8	57.8	178.3	-61.3	-23.8	0	0	0	114	T114 T116 Q120 S145 S203 T206 L209	T114-F143 HydrophobicContact CG2-CD1 3.74Å; T114-F143 HydrophobicContact CG2-CD2 4.19Å; T114-F143 HydrophobicContact CG2-CE1 3.65Å; T114-F143 HydrophobicContact CG2-CE2 4.11Å; T114-F143 HydrophobicContact CG2-CG 4.02Å; T114-F143 HydrophobicContact CG2-CZ 3.83Å; T114-F143 WeakPolarHBondContact OG1-CE1 3.43Å; T116-F143 HydrophobicContact CG2-CB 3.87Å; Q120-F143 WeakPolarHBondContact CG-O 3.34Å; Q120-F143 PolarHBondContact NE2-O 3.08Å; F143-S145 PolarHBondContact O-N 3.07Å; F143-S203 VanDerWaalsContact CZ-CB 3.43Å; F143-T206 HydrophobicContact CD2-CG2 4.34Å; F143-T206 WeakPolarHBondContact CD2-OG1 3.36Å; F143-T206 HydrophobicContact CE2-CG2 4.36Å; F143-L209 HydrophobicContact CE2-CD2 3.71Å; F143-L209 HydrophobicContact CZ-CD2 3.72Å
144	N	97.9	Very high	97.9	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.112	17%	0.168	C	C	.	.			trans	-68.2	130.4	166.1	66.2	-76.5	0	0	0	109.5	K94 Q120 L121 C141 G142	K94-N144 WeakPolarHBondContact CD-ND2 3.19Å; K94-N144 WeakPolarHBondContact CD-OD1 3.5Å; K94-N144 VanDerWaalsContact CE-OD1 3.29Å; K94-N144 WeakPolarHBondContact CE-OD1 3.47Å; Q120-N144 WeakPolarHBondContact O-CA 3.43Å; L121-N144 WeakPolarHBondContact O-CB 3.31Å; C141-N144 WeakPolarHBondContact CB-OD1 3.48Å; G142-N144 PolarHBondContact O-N 2.7Å
145	S	98.6	Very high	98	Very high	7 Å²	7	29.3 Å²	29.3	5%	0.049	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-156.8	141.4	-167.5	155.2	0	0	0	0	110.8	D95 T116 P119 Q120 F143 G147	D95-S145 WeakPolarHBondContact OD1-CA 3.43Å; T116-S145 PolarHBondContact N-OG 2.78Å; T116-S145 VanDerWaalsContact OG1-CB 3.24Å; T116-S145 WeakPolarHBondContact OG1-CB 3.33Å; T116-S145 PolarHBondContact OG1-OG 3.29Å; P119-S145 CarbonylContact C-O 3.53Å; P119-S145 WeakPolarHBondContact CA-O 3.34Å; Q120-S145 PolarHBondContact N-O 3.41Å; Q120-S145 PolarHBondContact O-N 3.32Å; F143-S145 PolarHBondContact O-N 3.07Å; S145-G147 PolarHBondContact O-N 2.87Å; S145-G147 PolarHBondContact OG-N 3.2Å
146	D	98.6	Very high	98	Very high	51 Å²	51	30.2 Å²	30.2	27%	0.273	15%	0.149	S	C	.	.			trans	-73.2	-5.9	172.4	-74.5	-4.7	0	0	0	113.1	D95 K97 P119 A150 R154	D95-D146 HydrophobicContact CB-CB 4.18Å; D95-D146 PolarHBondContact OD1-N 2.92Å; K97-D146 WeakPolarHBondContact CE-OD2 3.38Å; K97-D146 VanDerWaalsContact NZ-CG 3.34Å; K97-D146 IonicContact NZ-OD1 3.2Å; K97-D146 PolarHBondContact NZ-OD1 3.22Å; K97-D146 IonicContact NZ-OD2 2.93Å; K97-D146 PolarHBondContact NZ-OD2 2.74Å; P119-D146 WeakPolarHBondContact CG-O 2.98Å; D146-A150 HydrophobicContact CB-CB 3.8Å; D146-A150 WeakPolarHBondContact O-CB 3.12Å; D146-R154 IonicContact OD2-CZ 2.66Å; D146-R154 VanDerWaalsContact OD2-CZ 3.31Å; D146-R154 IonicContact OD2-NH1 2.71Å; D146-R154 PolarHBondContact OD2-NH1 3Å; D146-R154 IonicContact OD2-NH2 2.68Å; D146-R154 PolarHBondContact OD2-NH2 3.18Å
147	G	98.7	Very high	98	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	18%	0.182	C	C	.	.			trans	92.9	160.2	-179	0	0	0	0	0	113.9	T116 S145 D149 A150 V151	T116-G147 CarbonylContact O-C 3.49Å; T116-G147 VanDerWaalsContact O-CA 3.27Å; T116-G147 WeakPolarHBondContact O-CA 3.47Å; S145-G147 PolarHBondContact O-N 2.87Å; S145-G147 PolarHBondContact OG-N 3.2Å; G147-D149 VanDerWaalsContact C-N 3.34Å; G147-D149 PolarHBondContact O-N 3.49Å; G147-A150 PolarHBondContact O-N 3.34Å; G147-V151 WeakPolarHBondContact O-CG2 3.43Å; G147-V151 PolarHBondContact O-N 2.95Å
148	H	98.8	Very high	98	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-44.6	-177.5	-80.3	178.7	0	0	0	112.7	T116 P117 V151 Y152 G186 K189 F190	T116-H148 VanDerWaalsContact C-NE2 3.32Å; T116-H148 PolarHBondContact O-CD2 3.31Å; T116-H148 PolarHBondContact O-N 3.11Å; P117-H148 VanDerWaalsContact CA-CE1 3.49Å; P117-H148 WeakPolarHBondContact CA-CE1 3.35Å; P117-H148 WeakPolarHBondContact CA-ND1 3.46Å; P117-H148 PolarHBondContact O-N 2.81Å; H148-V151 PolarHBondContact O-N 2.98Å; H148-Y152 WeakPolarHBondContact O-CB 3.36Å; H148-Y152 PolarHBondContact O-N 3.32Å; H148-G186 WeakPolarHBondContact CE1-CA 3.21Å; H148-G186 PolarHBondContact CE1-N 3.26Å; H148-G186 VanDerWaalsContact CE1-N 3.25Å; H148-K189 HydrophobicContact CB-CG 4.15Å; H148-F190 HydrophobicContact CB-CE2 4.1Å; H148-F190 HydrophobicContact CB-CZ 4.31Å; H148-F190 AromaticContact CD2-CE2 3.57Å; H148-F190 AromaticContact CG-CE2 3.75Å; H148-F190 WeakPolarHBondContact O-CZ 3.38Å
149	D	98.8	Very high	98	Very high	104 Å²	104	40.4 Å²	40.4	56%	0.556	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-47.7	-175.8	-67.7	-28.7	0	0	0	111.9	G147 V151 Y152 E153 K189	G147-D149 VanDerWaalsContact C-N 3.34Å; G147-D149 PolarHBondContact O-N 3.49Å; D149-V151 VanDerWaalsContact C-N 3.34Å; D149-V151 PolarHBondContact O-N 3.15Å; D149-Y152 PolarHBondContact O-N 2.89Å; D149-E153 WeakPolarHBondContact O-CG 3.34Å; D149-E153 PolarHBondContact O-N 3.35Å; D149-K189 WeakPolarHBondContact OD1-CE 3.4Å; D149-K189 IonicContact OD1-NZ 3.97Å; D149-K189 PolarHBondContact OD1-NZ 2.86Å
150	A	98.8	Very high	98	Very high	35 Å²	35	39.1 Å²	39.1	29%	0.289	20%	0.195	S	C	.	.	H	α-helix	trans	-63	-40.2	180	0	0	0	0	0	112.5	D146 G147	D146-A150 HydrophobicContact CB-CB 3.8Å; D146-A150 WeakPolarHBondContact O-CB 3.12Å; G147-A150 PolarHBondContact O-N 3.34Å
151	V	98.9	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.3	-39.4	177	-177.7	0	0	0	0	111	D95 V112 V115 G147 H148 D149 E153 R154 L155 F190	D95-V151 HydrophobicContact CB-CG2 4.14Å; D95-V151 WeakPolarHBondContact O-CG2 3.46Å; V112-V151 HydrophobicContact CG1-CG1 4.15Å; V115-V151 HydrophobicContact CG1-CB 3.97Å; V115-V151 HydrophobicContact CG1-CG1 4.49Å; V115-V151 HydrophobicContact CG1-CG2 3.6Å; V115-V151 HydrophobicContact CG2-CB 4.39Å; V115-V151 HydrophobicContact CG2-CG1 4.03Å; V115-V151 HydrophobicContact CG2-CG2 4.15Å; G147-V151 WeakPolarHBondContact O-CG2 3.43Å; G147-V151 PolarHBondContact O-N 2.95Å; H148-V151 PolarHBondContact O-N 2.98Å; D149-V151 VanDerWaalsContact C-N 3.34Å; D149-V151 PolarHBondContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.33Å; V151-E153 PolarHBondContact O-N 3.38Å; V151-R154 PolarHBondContact O-N 2.87Å; V151-L155 HydrophobicContact CG1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 2.87Å; V151-F190 HydrophobicContact CB-CE1 4.21Å; V151-F190 HydrophobicContact CB-CZ 4.02Å; V151-F190 HydrophobicContact CG1-CE1 4.01Å; V151-F190 HydrophobicContact CG1-CZ 4.17Å
152	Y	98.9	Very high	97.9	Very high	64 Å²	64	47.2 Å²	47.2	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-44.3	175.9	177.7	-92.9	0	0	0	111.7	H148 D149 R154 L155 K156 K189 F190 V193	H148-Y152 WeakPolarHBondContact O-CB 3.36Å; H148-Y152 PolarHBondContact O-N 3.32Å; D149-Y152 PolarHBondContact O-N 2.89Å; Y152-R154 PolarHBondContact O-N 2.82Å; Y152-L155 CarbonylContact O-C 3.53Å; Y152-L155 PolarHBondContact O-N 3.34Å; Y152-K156 HydrophobicContact CD1-CB 4.1Å; Y152-K156 HydrophobicContact CD1-CD 4.47Å; Y152-K156 HydrophobicContact CE1-CB 3.66Å; Y152-K156 HydrophobicContact CE1-CD 4.08Å; Y152-K156 HydrophobicContact CE1-CG 4.48Å; Y152-K156 HydrophobicContact CE2-CB 4.36Å; Y152-K156 WeakPolarHBondContact O-CB 3.36Å; Y152-K156 PolarHBondContact O-N 3.11Å; Y152-K189 HydrophobicContact CD2-CD 4.26Å; Y152-K189 HydrophobicContact CD2-CG 3.91Å; Y152-K189 VanDerWaalsContact CD2-O 3.25Å; Y152-K189 WeakPolarHBondContact CD2-O 3.22Å; Y152-K189 WeakPolarHBondContact CE2-O 3.46Å; Y152-K189 HydrophobicContact CG-CD 4.28Å; Y152-K189 HydrophobicContact CG-CG 4.18Å; Y152-F190 HydrophobicContact CD2-CD1 4.44Å; Y152-V193 HydrophobicContact CD2-CG2 4.29Å; Y152-V193 HydrophobicContact CE2-CB 4.46Å; Y152-V193 HydrophobicContact CE2-CG2 3.55Å
153	E	98.7	Very high	97.9	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-31.7	178.6	-73.3	-57.3	120.6	0	0	113.1	D149 V151 L155 K156	D149-E153 WeakPolarHBondContact O-CG 3.34Å; D149-E153 PolarHBondContact O-N 3.35Å; V151-E153 VanDerWaalsContact C-N 3.33Å; V151-E153 PolarHBondContact O-N 3.38Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-K156 IonicContact OE1-NZ 3.48Å; E153-K156 WeakPolarHBondContact OE2-CE 3.34Å; E153-K156 IonicContact OE2-NZ 3.33Å; E153-K156 PolarHBondContact OE2-NZ 3.23Å
154	R	98.5	Very high	97.9	Very high	83 Å²	83	52.4 Å²	52.4	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-75.9	-23.3	175.4	-63.5	176.3	-170.9	122.2	3.8	113.2	D95 G96 D146 V151 Y152	D95-R154 WeakPolarHBondContact O-CD 3.33Å; D95-R154 PolarHBondContact O-NH1 3.2Å; G96-R154 WeakPolarHBondContact O-CD 3.33Å; D146-R154 IonicContact OD2-CZ 2.66Å; D146-R154 VanDerWaalsContact OD2-CZ 3.31Å; D146-R154 IonicContact OD2-NH1 2.71Å; D146-R154 PolarHBondContact OD2-NH1 3Å; D146-R154 IonicContact OD2-NH2 2.68Å; D146-R154 PolarHBondContact OD2-NH2 3.18Å; V151-R154 PolarHBondContact O-N 2.87Å; Y152-R154 PolarHBondContact O-N 2.82Å
155	L	98.7	Very high	97.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-106.2	-25.8	-170.1	-65.6	-176.2	0	0	0	113.9	F99 V151 Y152 E153 D157 R158 W160 I166 V168 F190 V193	F99-L155 HydrophobicContact CD1-CD2 3.96Å; F99-L155 HydrophobicContact CE1-CD2 3.59Å; F99-L155 HydrophobicContact CE2-CD2 4.46Å; F99-L155 HydrophobicContact CZ-CD2 3.87Å; V151-L155 HydrophobicContact CG1-CD1 3.77Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.32Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 2.87Å; Y152-L155 CarbonylContact O-C 3.53Å; Y152-L155 PolarHBondContact O-N 3.34Å; E153-L155 VanDerWaalsContact C-N 3.33Å; L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.36Å; L155-D157 VanDerWaalsContact O-N 3.12Å; L155-R158 WeakPolarHBondContact O-CA 3.49Å; L155-R158 PolarHBondContact O-N 3.36Å; L155-W160 HydrophobicContact CB-CH2 3.83Å; L155-W160 HydrophobicContact CB-CZ3 3.97Å; L155-W160 HydrophobicContact CD2-CE3 4.35Å; L155-W160 HydrophobicContact CD2-CH2 3.87Å; L155-W160 HydrophobicContact CD2-CZ3 3.45Å; L155-W160 VanDerWaalsContact CD2-CZ3 3.45Å; L155-W160 HydrophobicContact CG-CH2 4.34Å; L155-W160 HydrophobicContact CG-CZ3 4.27Å; L155-W160 WeakPolarHBondContact O-CH2 3.38Å; L155-W160 WeakPolarHBondContact O-CZ3 3.38Å; L155-I166 HydrophobicContact CD2-CG2 4.46Å; L155-V168 HydrophobicContact CD1-CG2 3.66Å; L155-F190 HydrophobicContact CD1-CD1 4.34Å; L155-F190 HydrophobicContact CD1-CE1 4.24Å; L155-V193 VanDerWaalsContact C-CG1 3.47Å; L155-V193 HydrophobicContact CB-CG1 3.89Å; L155-V193 WeakPolarHBondContact O-CG1 3.3Å
156	K	98.3	Very high	97.9	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.4	-166.9	67.9	-178.3	-172.7	-175.2	0	114.4	Y152 E153 R158	Y152-K156 HydrophobicContact CD1-CB 4.1Å; Y152-K156 HydrophobicContact CD1-CD 4.47Å; Y152-K156 HydrophobicContact CE1-CB 3.66Å; Y152-K156 HydrophobicContact CE1-CD 4.08Å; Y152-K156 HydrophobicContact CE1-CG 4.48Å; Y152-K156 HydrophobicContact CE2-CB 4.36Å; Y152-K156 WeakPolarHBondContact O-CB 3.36Å; Y152-K156 PolarHBondContact O-N 3.11Å; E153-K156 IonicContact OE1-NZ 3.48Å; E153-K156 WeakPolarHBondContact OE2-CE 3.34Å; E153-K156 IonicContact OE2-NZ 3.33Å; E153-K156 PolarHBondContact OE2-NZ 3.23Å; K156-R158 PolarHBondContact O-N 2.92Å
157	D	98.3	Very high	97.9	Very high	130 Å²	130	49 Å²	49	70%	0.695	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	5.5	-178.8	-58.3	-38.9	0	0	0	112.8	L155 P159	L155-D157 VanDerWaalsContact C-N 3.26Å; L155-D157 PolarHBondContact O-N 3.36Å; L155-D157 VanDerWaalsContact O-N 3.12Å; D157-P159 VanDerWaalsContact C-CD 3.48Å
158	R	98	Very high	97.9	Very high	42 Å²	42	49 Å²	49	16%	0.158	26%	0.26	C	S	.	.			trans	43.7	52.9	178.2	-65.4	175.2	52.5	83.1	2.3	113	L155 K156 W160 E161 V193 D195	L155-R158 WeakPolarHBondContact O-CA 3.49Å; L155-R158 PolarHBondContact O-N 3.36Å; K156-R158 PolarHBondContact O-N 2.92Å; R158-W160 HydrophobicContact CB-CH2 4.35Å; R158-W160 HydrophobicContact CB-CZ2 4.22Å; R158-W160 HydrophobicContact CG-CH2 4.08Å; R158-W160 HydrophobicContact CG-CZ2 3.93Å; R158-W160 PolarHBondContact O-N 3.28Å; R158-E161 IonicContact CZ-OE2 3.43Å; R158-E161 IonicContact NE-OE2 2.77Å; R158-E161 PolarHBondContact NE-OE2 3.41Å; R158-E161 VanDerWaalsContact NH2-CD 3.3Å; R158-E161 IonicContact NH2-OE1 2.77Å; R158-E161 PolarHBondContact NH2-OE1 2.81Å; R158-E161 VanDerWaalsContact NH2-OE1 3.08Å; R158-E161 IonicContact NH2-OE2 3.79Å; R158-E161 PolarHBondContact NH2-OE2 3.46Å; R158-E161 WeakPolarHBondContact O-CB 3.27Å; R158-E161 PolarHBondContact O-N 3.43Å; R158-V193 HydrophobicContact CG-CG1 4.11Å; R158-V193 PolarHBondContact NH1-O 3.07Å; R158-D195 IonicContact CZ-OD1 2.78Å; R158-D195 IonicContact NH1-OD1 3.82Å; R158-D195 PolarHBondContact NH1-OD1 3.21Å; R158-D195 IonicContact NH2-OD1 3.69Å; R158-D195 PolarHBondContact NH2-OD1 2.76Å
159	P	97.5	Very high	98	Very high	45 Å²	45	48.5 Å²	48.5	29%	0.292	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	-175.9	20.8	-32.4	0	0	0	112.6	F99 M100 D157 E161 R163	F99-P159 HydrophobicContact CE2-CG 3.83Å; F99-P159 HydrophobicContact CZ-CG 3.78Å; M100-P159 HydrophobicContact SD-CB 4.29Å; D157-P159 VanDerWaalsContact C-CD 3.48Å; P159-E161 PolarHBondContact O-N 2.8Å; P159-R163 PolarHBondContact O-NE 3.09Å; P159-R163 PolarHBondContact O-NH2 3.47Å
160	W	97.5	Very high	98	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.5	178.4	64.8	90.8	0	0	0	115	F99 M100 L103 L155 R158 G162 R163 I166 V193 D195	F99-W160 HydrophobicContact CD2-CE3 4.12Å; F99-W160 AromaticContact CE2-CE3 3.55Å; F99-W160 HydrophobicContact CE2-CE3 3.55Å; F99-W160 HydrophobicContact CE2-CZ3 4.13Å; F99-W160 HydrophobicContact CZ-CE3 4.15Å; F99-W160 HydrophobicContact CZ-CZ3 4.29Å; M100-W160 HydrophobicContact SD-CB 3.93Å; L103-W160 HydrophobicContact CD1-CB 3.68Å; L155-W160 HydrophobicContact CB-CH2 3.83Å; L155-W160 HydrophobicContact CB-CZ3 3.97Å; L155-W160 HydrophobicContact CD2-CE3 4.35Å; L155-W160 HydrophobicContact CD2-CH2 3.87Å; L155-W160 HydrophobicContact CD2-CZ3 3.45Å; L155-W160 VanDerWaalsContact CD2-CZ3 3.45Å; L155-W160 HydrophobicContact CG-CH2 4.34Å; L155-W160 HydrophobicContact CG-CZ3 4.27Å; L155-W160 WeakPolarHBondContact O-CH2 3.38Å; L155-W160 WeakPolarHBondContact O-CZ3 3.38Å; R158-W160 HydrophobicContact CB-CH2 4.35Å; R158-W160 HydrophobicContact CB-CZ2 4.22Å; R158-W160 HydrophobicContact CG-CH2 4.08Å; R158-W160 HydrophobicContact CG-CZ2 3.93Å; R158-W160 PolarHBondContact O-N 3.28Å; W160-G162 PolarHBondContact O-N 3.09Å; W160-R163 WeakPolarHBondContact O-CA 3.36Å; W160-R163 WeakPolarHBondContact O-CB 3.35Å; W160-R163 PolarHBondContact O-N 2.97Å; W160-I166 HydrophobicContact CB-CG1 3.84Å; W160-I166 HydrophobicContact CD2-CB 3.85Å; W160-I166 HydrophobicContact CD2-CG1 3.35Å; W160-I166 HydrophobicContact CE3-CB 4.42Å; W160-I166 HydrophobicContact CE3-CG1 3.89Å; W160-I166 HydrophobicContact CG-CB 4.12Å; W160-I166 HydrophobicContact CG-CD1 4.45Å; W160-I166 HydrophobicContact CG-CG1 3.29Å; W160-I166 HydrophobicContact CH2-CG2 4.48Å; W160-I166 HydrophobicContact CZ2-CB 3.95Å; W160-I166 HydrophobicContact CZ2-CG1 4.39Å; W160-I166 HydrophobicContact CZ2-CG2 4.31Å; W160-V193 HydrophobicContact CH2-CG1 4.04Å; W160-V193 WeakPolarHBondContact CZ2-O 3.41Å; W160-D195 PolarHBondContact NE1-OD2 3.16Å
161	E	96.5	Very high	97.9	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.4	125.4	-179.9	-165	83.5	-124.1	0	0	110.8	R158 P159 R163	R158-E161 IonicContact CZ-OE2 3.43Å; R158-E161 IonicContact NE-OE2 2.77Å; R158-E161 PolarHBondContact NE-OE2 3.41Å; R158-E161 VanDerWaalsContact NH2-CD 3.3Å; R158-E161 IonicContact NH2-OE1 2.77Å; R158-E161 PolarHBondContact NH2-OE1 2.81Å; R158-E161 VanDerWaalsContact NH2-OE1 3.08Å; R158-E161 IonicContact NH2-OE2 3.79Å; R158-E161 PolarHBondContact NH2-OE2 3.46Å; R158-E161 WeakPolarHBondContact O-CB 3.27Å; R158-E161 PolarHBondContact O-N 3.43Å; P159-E161 PolarHBondContact O-N 2.8Å; E161-R163 PolarHBondContact O-N 3.03Å
162	G	93.9	Very high	97.9	Very high	81 Å²	81	42.2 Å²	42.2	84%	0.835	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	3.8	-176.2	0	0	0	0	0	115.8	W160	W160-G162 PolarHBondContact O-N 3.09Å
163	R	94.4	Very high	97.8	Very high	110 Å²	110	39.5 Å²	39.5	42%	0.415	21%	0.21	S	C	.	.	S	Bend	trans	-119.1	9.8	-176.6	-54.6	-168.9	-82.5	-178.9	-6.8	113.6	R67 P159 W160 E161	R67-R163 PolarHBondContact NE-O 2.97Å; R67-R163 PolarHBondContact NH1-O 3.47Å; R67-R163 VanDerWaalsContact NH2-C 3.35Å; R67-R163 PolarHBondContact NH2-O 2.85Å; P159-R163 PolarHBondContact O-NE 3.09Å; P159-R163 PolarHBondContact O-NH2 3.47Å; W160-R163 WeakPolarHBondContact O-CA 3.36Å; W160-R163 WeakPolarHBondContact O-CB 3.35Å; W160-R163 PolarHBondContact O-N 2.97Å; E161-R163 PolarHBondContact O-N 3.03Å
164	G	97.1	Very high	97.5	Very high	19 Å²	19	40 Å²	40	20%	0.196	21%	0.21	C	C	.	.			trans	136.7	-169.5	-179.9	0	0	0	0	0	111.4
165	V	98.6	Very high	97.2	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.1	-176.6	179.5	0	0	0	0	110.7	L80 E81 F82 S108 H109 I110 D195 Y196	L80-V165 HydrophobicContact CB-CG2 4.39Å; L80-V165 HydrophobicContact CD1-CG1 3.8Å; E81-V165 VanDerWaalsContact O-CG2 3.32Å; E81-V165 WeakPolarHBondContact O-CG2 3.21Å; F82-V165 HydrophobicContact CD1-CB 4.28Å; F82-V165 HydrophobicContact CD1-CG2 4.01Å; F82-V165 HydrophobicContact CE1-CB 3.82Å; F82-V165 HydrophobicContact CE1-CG1 3.89Å; F82-V165 HydrophobicContact CE1-CG2 3.85Å; F82-V165 HydrophobicContact CG-CG2 4.45Å; F82-V165 HydrophobicContact CZ-CB 4.33Å; F82-V165 HydrophobicContact CZ-CG1 4.01Å; F82-V165 HydrophobicContact CZ-CG2 4.15Å; S108-V165 PolarHBondContact O-N 2.95Å; S108-V165 VanDerWaalsContact O-N 3.14Å; H109-V165 CarbonylContact C-O 3.59Å; H109-V165 WeakPolarHBondContact CA-O 3.09Å; H109-V165 HydrophobicContact CB-CB 3.81Å; H109-V165 HydrophobicContact CB-CG1 4.4Å; H109-V165 WeakPolarHBondContact CB-O 3.41Å; I110-V165 PolarHBondContact N-O 3.49Å; V165-D195 HydrophobicContact CG1-CB 3.7Å; V165-Y196 HydrophobicContact CG1-CD1 3.87Å; V165-Y196 HydrophobicContact CG1-CE1 3.88Å
166	I	98.8	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	176.5	-60.3	-59.6	0	0	0	110.9	F99 L103 I110 V112 L155 W160 D195	F99-I166 HydrophobicContact CB-CD1 3.84Å; F99-I166 HydrophobicContact CD2-CD1 4.03Å; F99-I166 HydrophobicContact CD2-CG1 4.27Å; F99-I166 HydrophobicContact CG-CD1 4.28Å; L103-I166 HydrophobicContact CD1-CD1 3.93Å; L103-I166 HydrophobicContact CD1-CG1 4.47Å; L103-I166 HydrophobicContact CG-CD1 4.3Å; I110-I166 HydrophobicContact CB-CD1 3.68Å; I110-I166 HydrophobicContact CG1-CD1 4.07Å; I110-I166 WeakPolarHBondContact O-CA 3.14Å; V112-I166 HydrophobicContact CG2-CG2 4.17Å; L155-I166 HydrophobicContact CD2-CG2 4.46Å; W160-I166 HydrophobicContact CB-CG1 3.84Å; W160-I166 HydrophobicContact CD2-CB 3.85Å; W160-I166 HydrophobicContact CD2-CG1 3.35Å; W160-I166 HydrophobicContact CE3-CB 4.42Å; W160-I166 HydrophobicContact CE3-CG1 3.89Å; W160-I166 HydrophobicContact CG-CB 4.12Å; W160-I166 HydrophobicContact CG-CD1 4.45Å; W160-I166 HydrophobicContact CG-CG1 3.29Å; W160-I166 HydrophobicContact CH2-CG2 4.48Å; W160-I166 HydrophobicContact CZ2-CB 3.95Å; W160-I166 HydrophobicContact CZ2-CG1 4.39Å; W160-I166 HydrophobicContact CZ2-CG2 4.31Å; I166-D195 PolarHBondContact N-OD2 2.75Å; I166-D195 WeakPolarHBondContact O-CB 3.04Å; I166-D195 PolarHBondContact O-N 3.29Å
167	G	98.9	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.7	168	0	0	0	0	0	112	I110 V112 Y196	I110-G167 PolarHBondContact O-N 3.32Å; V112-G167 PolarHBondContact N-O 3.13Å; G167-Y196 CarbonylContact C-O 3.57Å; G167-Y196 VanDerWaalsContact CA-O 3.26Å; G167-Y196 WeakPolarHBondContact CA-O 3.42Å
168	V	98.9	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.4	172.1	-178.9	0	0	0	0	109.9	V115 L155 L170 F190 A194 Y196 L197 V198	V115-V168 HydrophobicContact CG2-CG1 4.08Å; L155-V168 HydrophobicContact CD1-CG2 3.66Å; V168-L170 HydrophobicContact CG1-CD2 3.83Å; V168-F190 HydrophobicContact CB-CB 4.4Å; V168-F190 HydrophobicContact CB-CG 4.4Å; V168-F190 HydrophobicContact CG1-CB 4.36Å; V168-F190 HydrophobicContact CG1-CD1 4.12Å; V168-F190 HydrophobicContact CG1-CD2 3.98Å; V168-F190 HydrophobicContact CG1-CE1 4.41Å; V168-F190 HydrophobicContact CG1-CE2 4.28Å; V168-F190 HydrophobicContact CG1-CG 3.89Å; V168-F190 HydrophobicContact CG1-CZ 4.49Å; V168-F190 HydrophobicContact CG2-CB 4.49Å; V168-F190 HydrophobicContact CG2-CD1 4.18Å; V168-F190 HydrophobicContact CG2-CG 4.43Å; V168-A194 HydrophobicContact CB-CB 4.15Å; V168-A194 HydrophobicContact CG2-CB 3.67Å; V168-Y196 PolarHBondContact N-O 3.19Å; V168-L197 HydrophobicContact CB-CD2 4.05Å; V168-L197 CarbonylContact O-C 3.52Å; V168-L197 WeakPolarHBondContact O-CA 3.4Å; V168-V198 PolarHBondContact O-N 3.12Å
169	N	98.9	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.6	176.4	-174.7	-58.8	0	0	0	110.6	A90 E111 V112 T114 V115 V198 N200	A90-N169 HydrophobicContact CB-CB 3.79Å; E111-N169 HydrophobicContact CG-CB 3.91Å; E111-N169 PolarHBondContact OE1-ND2 3.16Å; V112-N169 WeakPolarHBondContact O-CB 3.35Å; V112-N169 PolarHBondContact O-N 3.08Å; T114-N169 CarbonylContact C-O 3.59Å; T114-N169 VanDerWaalsContact CA-O 3.3Å; T114-N169 WeakPolarHBondContact CA-O 3.3Å; T114-N169 WeakPolarHBondContact CB-OD1 3.2Å; T114-N169 WeakPolarHBondContact CG2-OD1 3.42Å; T114-N169 PolarHBondContact OG1-OD1 2.77Å; V115-N169 PolarHBondContact N-O 3.04Å; N169-V198 HydrophobicContact CB-CB 4.1Å; N169-N200 WeakPolarHBondContact OD1-CB 3.28Å; N169-N200 PolarHBondContact OD1-ND2 3.48Å
170	L	98.9	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.4	-174.6	-55.5	176.1	0	0	0	110.1	T114 V168 Y183 V187 F190 L197 V198 I199 N200	T114-L170 VanDerWaalsContact CG2-C 3.48Å; V168-L170 HydrophobicContact CG1-CD2 3.83Å; L170-Y183 HydrophobicContact CB-CD1 4.06Å; L170-Y183 VanDerWaalsContact O-CE1 3.25Å; L170-Y183 WeakPolarHBondContact O-CE1 3.24Å; L170-V187 HydrophobicContact CD1-CG2 4.03Å; L170-F190 HydrophobicContact CD2-CD2 3.71Å; L170-F190 HydrophobicContact CD2-CE2 4.15Å; L170-L197 HydrophobicContact CD1-CB 4.48Å; L170-L197 HydrophobicContact CD1-CD1 4.47Å; L170-L197 HydrophobicContact CD1-CD2 4.4Å; L170-V198 WeakPolarHBondContact CB-O 3.37Å; L170-V198 PolarHBondContact N-O 2.93Å; L170-I199 HydrophobicContact CD1-CD1 4.18Å; L170-N200 WeakPolarHBondContact O-CB 3.15Å; L170-N200 PolarHBondContact O-N 3.26Å
171	G	98.3	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.27	C	S	.	.			trans	-147.6	170.5	173.3	0	0	0	0	0	111.2	T114 V115	T114-G171 VanDerWaalsContact CG2-CA 3.44Å; T114-G171 VanDerWaalsContact CG2-N 3.27Å; V115-G171 PolarHBondContact O-N 2.96Å
172	C	97.7	Very high	96.8	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.047	25%	0.248	C	C	.	.			trans	-90.2	153.4	178	68.4	0	0	0	0	112.3	T116 P179 D182 Y183	T116-C172 WeakPolarHBondContact CG2-O 3.26Å; C172-P179 HydrophobicContact CB-CB 3.9Å; C172-D182 VanDerWaalsContact CA-OD2 3.23Å; C172-D182 WeakPolarHBondContact CA-OD2 3.48Å; C172-D182 HydrophobicContact CB-CB 3.88Å; C172-D182 WeakPolarHBondContact CB-OD2 3.42Å; C172-Y183 HydrophobicContact CB-CE2 4.48Å
173	N	97.4	Very high	97	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.043	21%	0.209	C	C	.	.			trans	-64	147.5	166.7	-78.8	117.9	0	0	0	110.6	T116 P117 N118 Q120 T175 S176 D182	T116-N173 WeakPolarHBondContact CB-ND2 3.42Å; T116-N173 PolarHBondContact OG1-ND2 3.48Å; P117-N173 WeakPolarHBondContact CD-OD1 3.43Å; N118-N173 WeakPolarHBondContact CB-OD1 3.4Å; N118-N173 PolarHBondContact N-OD1 3.15Å; N118-N173 PolarHBondContact ND2-OD1 3.47Å; N118-N173 PolarHBondContact O-ND2 3.16Å; Q120-N173 PolarHBondContact OE1-ND2 3.17Å; N173-T175 PolarHBondContact O-N 2.82Å; N173-S176 VanDerWaalsContact O-CB 3.32Å; N173-S176 WeakPolarHBondContact O-CB 3.48Å; N173-S176 PolarHBondContact O-N 3.2Å; N173-S176 VanDerWaalsContact O-N 3.1Å; N173-D182 PolarHBondContact N-OD2 2.82Å
174	K	93	Very high	97.2	Very high	113 Å²	113	30.6 Å²	30.6	49%	0.491	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.4	-179.3	-175.7	173.2	-179.8	173.8	0	113.1	N123	N123-K174 PolarHBondContact OD1-NZ 3.09Å
175	T	91.2	Very high	97.3	Very high	133 Å²	133	31.6 Å²	31.6	82%	0.816	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9	-179.4	55	0	0	0	0	112.9	N173 A177	N173-T175 PolarHBondContact O-N 2.82Å; T175-A177 PolarHBondContact O-N 3.16Å
176	S	94.4	Very high	97.3	Very high	31 Å²	31	31.2 Å²	31.2	22%	0.217	20%	0.2	C	C	.	.			trans	-65.6	128.1	-177.4	-172.6	0	0	0	0	111.1	N173 D178 D182	N173-S176 VanDerWaalsContact O-CB 3.32Å; N173-S176 WeakPolarHBondContact O-CB 3.48Å; N173-S176 PolarHBondContact O-N 3.2Å; N173-S176 VanDerWaalsContact O-N 3.1Å; S176-D178 PolarHBondContact OG-N 2.82Å; S176-D178 PolarHBondContact OG-O 3.17Å; S176-D182 WeakPolarHBondContact CB-OD2 3.44Å; S176-D182 VanDerWaalsContact OG-CG 3.24Å; S176-D182 PolarHBondContact OG-OD1 3.13Å; S176-D182 PolarHBondContact OG-OD2 2.88Å; S176-D182 VanDerWaalsContact OG-OD2 3.11Å
177	A	93.7	Very high	97.3	Very high	109 Å²	109	31.2 Å²	31.2	90%	0.901	20%	0.2	S	C	*	.	S	Bend	trans	-79.1	-23.8	172.3	0	0	0	0	0	112	T175	T175-A177 PolarHBondContact O-N 3.16Å
178	D	96	Very high	97.3	Very high	80 Å²	80	38.1 Å²	38.1	43%	0.428	23%	0.226	S	C	.	.			trans	-133	85.1	176.2	-176.4	-5	0	0	0	109.4	S176 T180 A181 D182	S176-D178 PolarHBondContact OG-N 2.82Å; S176-D178 PolarHBondContact OG-O 3.17Å; D178-T180 PolarHBondContact O-N 3.38Å; D178-T180 VanDerWaalsContact O-N 3.1Å; D178-T180 WeakPolarHBondContact OD1-CB 3.4Å; D178-T180 PolarHBondContact OD1-N 3.34Å; D178-T180 VanDerWaalsContact OD1-N 3.09Å; D178-A181 HydrophobicContact CB-CB 3.94Å; D178-A181 WeakPolarHBondContact O-CB 3.24Å; D178-A181 PolarHBondContact O-N 3.17Å; D178-A181 PolarHBondContact OD1-N 2.97Å; D178-A181 VanDerWaalsContact OD1-N 3.15Å; D178-A181 WeakPolarHBondContact OD2-CB 3.25Å; D178-D182 PolarHBondContact O-N 3.39Å
179	P	96.4	Very high	97.3	Very high	40 Å²	40	41 Å²	41	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-53.7	-31	177.4	-29	36.4	0	0	0	113.5	C172 D182 Y183 L212	C172-P179 HydrophobicContact CB-CB 3.9Å; P179-D182 WeakPolarHBondContact O-CB 3.43Å; P179-D182 PolarHBondContact O-N 3.08Å; P179-Y183 WeakPolarHBondContact O-CD2 3.46Å; P179-Y183 PolarHBondContact O-N 3.46Å; P179-L212 HydrophobicContact CB-CD1 4.23Å
180	T	98.2	Very high	97.3	Very high	10 Å²	10	41 Å²	41	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-39.5	178.9	-63.9	0	0	0	0	111.5	D178 D182 Y183 V184 L221 K224	D178-T180 PolarHBondContact O-N 3.38Å; D178-T180 VanDerWaalsContact O-N 3.1Å; D178-T180 WeakPolarHBondContact OD1-CB 3.4Å; D178-T180 PolarHBondContact OD1-N 3.34Å; D178-T180 VanDerWaalsContact OD1-N 3.09Å; T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 2.67Å; T180-Y183 PolarHBondContact O-N 2.92Å; T180-V184 WeakPolarHBondContact O-CG2 3.31Å; T180-V184 PolarHBondContact O-N 2.73Å; T180-L221 HydrophobicContact CG2-CD1 3.79Å; T180-K224 HydrophobicContact CG2-CB 3.93Å; T180-K224 HydrophobicContact CG2-CD 3.44Å; T180-K224 VanDerWaalsContact CG2-CD 3.44Å; T180-K224 HydrophobicContact CG2-CG 4.33Å
181	A	98.4	Very high	97.3	Very high	44 Å²	44	41 Å²	41	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-36	174.2	0	0	0	0	0	112.3	D178 V184 A185	D178-A181 HydrophobicContact CB-CB 3.94Å; D178-A181 WeakPolarHBondContact O-CB 3.24Å; D178-A181 PolarHBondContact O-N 3.17Å; D178-A181 PolarHBondContact OD1-N 2.97Å; D178-A181 VanDerWaalsContact OD1-N 3.15Å; D178-A181 WeakPolarHBondContact OD2-CB 3.25Å; A181-V184 PolarHBondContact O-N 2.82Å; A181-A185 WeakPolarHBondContact O-CB 3.32Å; A181-A185 PolarHBondContact O-N 2.83Å
182	D	98.7	Very high	97.3	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-44.9	176.5	-70.7	10.6	0	0	0	112	P117 C172 N173 S176 D178 P179 T180 A185 G186	P117-D182 HydrophobicContact CG-CB 3.51Å; C172-D182 VanDerWaalsContact CA-OD2 3.23Å; C172-D182 WeakPolarHBondContact CA-OD2 3.48Å; C172-D182 HydrophobicContact CB-CB 3.88Å; C172-D182 WeakPolarHBondContact CB-OD2 3.42Å; N173-D182 PolarHBondContact N-OD2 2.82Å; S176-D182 WeakPolarHBondContact CB-OD2 3.44Å; S176-D182 VanDerWaalsContact OG-CG 3.24Å; S176-D182 PolarHBondContact OG-OD1 3.13Å; S176-D182 PolarHBondContact OG-OD2 2.88Å; S176-D182 VanDerWaalsContact OG-OD2 3.11Å; D178-D182 PolarHBondContact O-N 3.39Å; P179-D182 WeakPolarHBondContact O-CB 3.43Å; P179-D182 PolarHBondContact O-N 3.08Å; T180-D182 VanDerWaalsContact C-N 3.27Å; T180-D182 PolarHBondContact O-N 2.67Å; D182-A185 WeakPolarHBondContact O-CB 3.16Å; D182-A185 PolarHBondContact O-N 2.67Å; D182-G186 PolarHBondContact O-N 2.76Å
183	Y	98.9	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42.1	175.4	-70	-75.9	0	0	0	111.6	L170 C172 P179 T180 A185 G186 V187 I199 N200 V201 L209 L212 L221	L170-Y183 HydrophobicContact CB-CD1 4.06Å; L170-Y183 VanDerWaalsContact O-CE1 3.25Å; L170-Y183 WeakPolarHBondContact O-CE1 3.24Å; C172-Y183 HydrophobicContact CB-CE2 4.48Å; P179-Y183 WeakPolarHBondContact O-CD2 3.46Å; P179-Y183 PolarHBondContact O-N 3.46Å; T180-Y183 PolarHBondContact O-N 2.92Å; Y183-A185 VanDerWaalsContact C-N 3.32Å; Y183-A185 PolarHBondContact O-N 2.95Å; Y183-G186 PolarHBondContact O-N 2.89Å; Y183-G186 VanDerWaalsContact O-N 3.16Å; Y183-V187 WeakPolarHBondContact O-CG2 3.13Å; Y183-V187 PolarHBondContact O-N 2.91Å; Y183-I199 HydrophobicContact CD1-CD1 4.03Å; Y183-I199 HydrophobicContact CD1-CG2 3.81Å; Y183-I199 HydrophobicContact CE1-CG2 3.86Å; Y183-I199 HydrophobicContact CG-CG2 4.3Å; Y183-N200 PolarHBondContact OH-O 2.95Å; Y183-V201 HydrophobicContact CE2-CG1 4.49Å; Y183-L209 WeakPolarHBondContact OH-CD1 3.46Å; Y183-L212 HydrophobicContact CE2-CD1 4.04Å; Y183-L221 HydrophobicContact CD2-CD1 3.54Å; Y183-L221 HydrophobicContact CD2-CD2 4.34Å; Y183-L221 HydrophobicContact CE2-CD1 4.32Å; Y183-L221 HydrophobicContact CE2-CD2 4.36Å; Y183-L221 HydrophobicContact CG-CD1 3.96Å
184	V	98.9	Very high	97.4	Very high	22 Å²	22	45.3 Å²	45.3	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-42.7	175.4	166.8	0	0	0	0	111.1	T180 A181 G186 V187 R188 K224 V225 A228	T180-V184 WeakPolarHBondContact O-CG2 3.31Å; T180-V184 PolarHBondContact O-N 2.73Å; A181-V184 PolarHBondContact O-N 2.82Å; V184-G186 VanDerWaalsContact C-N 3.31Å; V184-G186 PolarHBondContact O-N 2.84Å; V184-V187 PolarHBondContact O-N 3.41Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 3.34Å; V184-K224 HydrophobicContact CG2-CB 3.98Å; V184-V225 HydrophobicContact CG2-CG1 4.12Å; V184-A228 HydrophobicContact CG1-CB 3.83Å; V184-A228 HydrophobicContact CG2-CB 4.49Å
185	A	98.8	Very high	97.6	Very high	40 Å²	40	40.4 Å²	40.4	33%	0.331	24%	0.237	S	C	.	.	H	α-helix	trans	-61.6	-40.4	175.2	0	0	0	0	0	111.6	A181 D182 Y183 R188 K189	A181-A185 WeakPolarHBondContact O-CB 3.32Å; A181-A185 PolarHBondContact O-N 2.83Å; D182-A185 WeakPolarHBondContact O-CB 3.16Å; D182-A185 PolarHBondContact O-N 2.67Å; Y183-A185 VanDerWaalsContact C-N 3.32Å; Y183-A185 PolarHBondContact O-N 2.95Å; A185-R188 PolarHBondContact O-N 2.99Å; A185-K189 WeakPolarHBondContact O-CB 3.3Å; A185-K189 PolarHBondContact O-N 2.96Å
186	G	98.9	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-43.8	175.3	0	0	0	0	0	112.7	H148 D182 Y183 V184 R188 K189 F190	H148-G186 WeakPolarHBondContact CE1-CA 3.21Å; H148-G186 PolarHBondContact CE1-N 3.26Å; H148-G186 VanDerWaalsContact CE1-N 3.25Å; D182-G186 PolarHBondContact O-N 2.76Å; Y183-G186 PolarHBondContact O-N 2.89Å; Y183-G186 VanDerWaalsContact O-N 3.16Å; V184-G186 VanDerWaalsContact C-N 3.31Å; V184-G186 PolarHBondContact O-N 2.84Å; G186-R188 VanDerWaalsContact C-N 3.34Å; G186-R188 PolarHBondContact O-N 3.44Å; G186-K189 PolarHBondContact O-N 3.02Å; G186-F190 WeakPolarHBondContact O-CD2 3.4Å; G186-F190 PolarHBondContact O-N 3.1Å
187	V	98.9	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-46.2	174.9	170.8	0	0	0	0	111	L170 Y183 V184 K189 G191 L197 I199 V225 A228 R229 L232 I238	L170-V187 HydrophobicContact CD1-CG2 4.03Å; Y183-V187 WeakPolarHBondContact O-CG2 3.13Å; Y183-V187 PolarHBondContact O-N 2.91Å; V184-V187 PolarHBondContact O-N 3.41Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.39Å; V187-G191 WeakPolarHBondContact O-CA 3.39Å; V187-G191 PolarHBondContact O-N 3.41Å; V187-L197 HydrophobicContact CB-CD1 4.24Å; V187-L197 HydrophobicContact CG1-CD1 4.21Å; V187-L197 HydrophobicContact CG2-CD1 4.03Å; V187-I199 HydrophobicContact CG2-CD1 4.24Å; V187-V225 HydrophobicContact CG2-CB 4.06Å; V187-V225 HydrophobicContact CG2-CG1 4.33Å; V187-A228 HydrophobicContact CB-CB 4.5Å; V187-A228 HydrophobicContact CG1-CB 4.09Å; V187-R229 HydrophobicContact CG1-CB 3.86Å; V187-L232 HydrophobicContact CG1-CD1 4.45Å; V187-L232 WeakPolarHBondContact O-CD1 3.45Å; V187-I238 HydrophobicContact CG1-CD1 4.44Å; V187-I238 HydrophobicContact CG2-CD1 4.19Å
188	R	98.8	Very high	98.5	Very high	145 Å²	145	27.5 Å²	27.5	55%	0.547	15%	0.145	S	C	.	.	H	α-helix	trans	-63.6	-39.4	177.6	-72.3	175.2	173.4	174.7	-2.4	112.6	V184 A185 G186 A228	V184-R188 WeakPolarHBondContact O-CG 3.38Å; V184-R188 PolarHBondContact O-N 3.34Å; A185-R188 PolarHBondContact O-N 2.99Å; G186-R188 VanDerWaalsContact C-N 3.34Å; G186-R188 PolarHBondContact O-N 3.44Å; R188-A228 HydrophobicContact CG-CB 4.41Å
189	K	98.8	Very high	98.6	Very high	61 Å²	61	23.7 Å²	23.7	27%	0.265	13%	0.125	S	C	.	.	H	α-helix	trans	-71.6	-46.3	-177.9	-169	80.1	-172.4	-170.4	0	112.4	H148 D149 Y152 A185 G186 V187	H148-K189 HydrophobicContact CB-CG 4.15Å; D149-K189 WeakPolarHBondContact OD1-CE 3.4Å; D149-K189 IonicContact OD1-NZ 3.97Å; D149-K189 PolarHBondContact OD1-NZ 2.86Å; Y152-K189 HydrophobicContact CD2-CD 4.26Å; Y152-K189 HydrophobicContact CD2-CG 3.91Å; Y152-K189 VanDerWaalsContact CD2-O 3.25Å; Y152-K189 WeakPolarHBondContact CD2-O 3.22Å; Y152-K189 WeakPolarHBondContact CE2-O 3.46Å; Y152-K189 HydrophobicContact CG-CD 4.28Å; Y152-K189 HydrophobicContact CG-CG 4.18Å; A185-K189 WeakPolarHBondContact O-CB 3.3Å; A185-K189 PolarHBondContact O-N 2.96Å; G186-K189 PolarHBondContact O-N 3.02Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.39Å
190	F	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-103.7	-10.9	-170.2	-63.6	-76	0	0	0	113.9	V115 H148 V151 Y152 L155 V168 L170 G186 E192 V193 A194 L197	V115-F190 HydrophobicContact CG1-CE2 4.47Å; V115-F190 HydrophobicContact CG1-CZ 4.31Å; H148-F190 HydrophobicContact CB-CE2 4.1Å; H148-F190 HydrophobicContact CB-CZ 4.31Å; H148-F190 AromaticContact CD2-CE2 3.57Å; H148-F190 AromaticContact CG-CE2 3.75Å; H148-F190 WeakPolarHBondContact O-CZ 3.38Å; V151-F190 HydrophobicContact CB-CE1 4.21Å; V151-F190 HydrophobicContact CB-CZ 4.02Å; V151-F190 HydrophobicContact CG1-CE1 4.01Å; V151-F190 HydrophobicContact CG1-CZ 4.17Å; Y152-F190 HydrophobicContact CD2-CD1 4.44Å; L155-F190 HydrophobicContact CD1-CD1 4.34Å; L155-F190 HydrophobicContact CD1-CE1 4.24Å; V168-F190 HydrophobicContact CB-CB 4.4Å; V168-F190 HydrophobicContact CB-CG 4.4Å; V168-F190 HydrophobicContact CG1-CB 4.36Å; V168-F190 HydrophobicContact CG1-CD1 4.12Å; V168-F190 HydrophobicContact CG1-CD2 3.98Å; V168-F190 HydrophobicContact CG1-CE1 4.41Å; V168-F190 HydrophobicContact CG1-CE2 4.28Å; V168-F190 HydrophobicContact CG1-CG 3.89Å; V168-F190 HydrophobicContact CG1-CZ 4.49Å; V168-F190 HydrophobicContact CG2-CB 4.49Å; V168-F190 HydrophobicContact CG2-CD1 4.18Å; V168-F190 HydrophobicContact CG2-CG 4.43Å; L170-F190 HydrophobicContact CD2-CD2 3.71Å; L170-F190 HydrophobicContact CD2-CE2 4.15Å; G186-F190 WeakPolarHBondContact O-CD2 3.4Å; G186-F190 PolarHBondContact O-N 3.1Å; F190-E192 PolarHBondContact O-N 3.25Å; F190-V193 PolarHBondContact O-N 3.45Å; F190-A194 HydrophobicContact CB-CB 4.46Å; F190-A194 WeakPolarHBondContact O-CB 3.46Å; F190-A194 PolarHBondContact O-N 2.91Å; F190-L197 HydrophobicContact CB-CD2 3.64Å
191	G	98.7	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.1	-172.4	0	0	0	0	0	114.7	V187 T236	V187-G191 WeakPolarHBondContact O-CA 3.39Å; V187-G191 PolarHBondContact O-N 3.41Å; G191-T236 VanDerWaalsContact O-CB 3.29Å; G191-T236 WeakPolarHBondContact O-CB 3.25Å; G191-T236 PolarHBondContact O-OG1 3.37Å
192	E	98.3	Very high	98.7	Very high	95 Å²	95	19.4 Å²	19.4	44%	0.444	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-14.8	174.6	-60.2	-164.4	147.8	0	0	113.1	F190 L232 S233 K234	F190-E192 PolarHBondContact O-N 3.25Å; E192-L232 HydrophobicContact CG-CB 4.22Å; E192-L232 HydrophobicContact CG-CD1 4.43Å; E192-S233 WeakPolarHBondContact OE1-CB 3.44Å; E192-S233 PolarHBondContact OE1-N 3.28Å; E192-S233 PolarHBondContact OE1-OG 3Å; E192-K234 HydrophobicContact CG-CB 4.47Å
193	V	98.4	Very high	98.6	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-41.3	-171.9	174.5	0	0	0	0	113	Y152 L155 R158 W160 F190	Y152-V193 HydrophobicContact CD2-CG2 4.29Å; Y152-V193 HydrophobicContact CE2-CB 4.46Å; Y152-V193 HydrophobicContact CE2-CG2 3.55Å; L155-V193 VanDerWaalsContact C-CG1 3.47Å; L155-V193 HydrophobicContact CB-CG1 3.89Å; L155-V193 WeakPolarHBondContact O-CG1 3.3Å; R158-V193 HydrophobicContact CG-CG1 4.11Å; R158-V193 PolarHBondContact NH1-O 3.07Å; W160-V193 HydrophobicContact CH2-CG1 4.04Å; W160-V193 WeakPolarHBondContact CZ2-O 3.41Å; F190-V193 PolarHBondContact O-N 3.45Å
194	A	98.7	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.			trans	-74.6	155.1	-179.3	0	0	0	0	0	111.7	V168 F190 Y196 L197 K234	V168-A194 HydrophobicContact CB-CB 4.15Å; V168-A194 HydrophobicContact CG2-CB 3.67Å; F190-A194 HydrophobicContact CB-CB 4.46Å; F190-A194 WeakPolarHBondContact O-CB 3.46Å; F190-A194 PolarHBondContact O-N 2.91Å; A194-Y196 WeakPolarHBondContact CB-O 3.44Å; A194-L197 HydrophobicContact CB-CD2 3.74Å; A194-K234 PolarHBondContact O-NZ 3.19Å
195	D	98.8	Very high	98.1	Very high	11 Å²	11	19 Å²	19	6%	0.059	9%	0.092	C	C	.	.	S	Bend	trans	-80.5	-30.8	172.6	-58.7	-42	0	0	0	111.8	L80 R158 W160 V165 I166 P237	L80-D195 HydrophobicContact CD1-CB 3.97Å; L80-D195 HydrophobicContact CD2-CB 4.15Å; R158-D195 IonicContact CZ-OD1 2.78Å; R158-D195 IonicContact NH1-OD1 3.82Å; R158-D195 PolarHBondContact NH1-OD1 3.21Å; R158-D195 IonicContact NH2-OD1 3.69Å; R158-D195 PolarHBondContact NH2-OD1 2.76Å; W160-D195 PolarHBondContact NE1-OD2 3.16Å; V165-D195 HydrophobicContact CG1-CB 3.7Å; I166-D195 PolarHBondContact N-OD2 2.75Å; I166-D195 WeakPolarHBondContact O-CB 3.04Å; I166-D195 PolarHBondContact O-N 3.29Å; D195-P237 WeakPolarHBondContact O-CD 3.45Å
196	Y	98.9	Very high	97.7	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.9	166.2	67.6	-85.9	0	0	0	110.8	L80 V165 G167 V168 A194 V198 P237 L239	L80-Y196 HydrophobicContact CD1-CD1 4.33Å; V165-Y196 HydrophobicContact CG1-CD1 3.87Å; V165-Y196 HydrophobicContact CG1-CE1 3.88Å; G167-Y196 CarbonylContact C-O 3.57Å; G167-Y196 VanDerWaalsContact CA-O 3.26Å; G167-Y196 WeakPolarHBondContact CA-O 3.42Å; V168-Y196 PolarHBondContact N-O 3.19Å; A194-Y196 WeakPolarHBondContact CB-O 3.44Å; Y196-V198 HydrophobicContact CD2-CG2 3.75Å; Y196-V198 HydrophobicContact CE2-CG2 3.49Å; Y196-V198 VanDerWaalsContact CE2-CG2 3.49Å; Y196-P237 WeakPolarHBondContact CA-O 3.25Å; Y196-L239 HydrophobicContact CD2-CD1 3.85Å; Y196-L239 HydrophobicContact CD2-CD2 3.95Å; Y196-L239 HydrophobicContact CD2-CG 4.44Å; Y196-L239 HydrophobicContact CE2-CD2 4.19Å; Y196-L239 HydrophobicContact CG-CD1 4.19Å
197	L	99	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.9	175.4	-62.9	177.1	0	0	0	110.2	V168 L170 V187 F190 A194 T236 P237 I238 L239	V168-L197 HydrophobicContact CB-CD2 4.05Å; V168-L197 CarbonylContact O-C 3.52Å; V168-L197 WeakPolarHBondContact O-CA 3.4Å; L170-L197 HydrophobicContact CD1-CB 4.48Å; L170-L197 HydrophobicContact CD1-CD1 4.47Å; L170-L197 HydrophobicContact CD1-CD2 4.4Å; V187-L197 HydrophobicContact CB-CD1 4.24Å; V187-L197 HydrophobicContact CG1-CD1 4.21Å; V187-L197 HydrophobicContact CG2-CD1 4.03Å; F190-L197 HydrophobicContact CB-CD2 3.64Å; A194-L197 HydrophobicContact CB-CD2 3.74Å; L197-T236 HydrophobicContact CG-CG2 4.01Å; L197-P237 PolarHBondContact N-O 3.42Å; L197-I238 HydrophobicContact CB-CG1 4.29Å; L197-L239 PolarHBondContact O-N 2.79Å
198	V	99	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.4	175.9	-177.4	0	0	0	0	110.3	E111 V168 N169 L170 Y196 L239 K241 I269	E111-V198 HydrophobicContact CG-CG2 4.19Å; V168-V198 PolarHBondContact O-N 3.12Å; N169-V198 HydrophobicContact CB-CB 4.1Å; L170-V198 WeakPolarHBondContact CB-O 3.37Å; L170-V198 PolarHBondContact N-O 2.93Å; Y196-V198 HydrophobicContact CD2-CG2 3.75Å; Y196-V198 HydrophobicContact CE2-CG2 3.49Å; Y196-V198 VanDerWaalsContact CE2-CG2 3.49Å; V198-L239 CarbonylContact C-O 3.52Å; V198-L239 WeakPolarHBondContact CA-O 2.98Å; V198-L239 HydrophobicContact CG2-CB 4.35Å; V198-K241 HydrophobicContact CG1-CB 3.57Å; V198-K241 HydrophobicContact CG1-CD 4.24Å; V198-I269 HydrophobicContact CB-CD1 4.09Å; V198-I269 HydrophobicContact CG1-CD1 3.52Å; V198-I269 HydrophobicContact CG2-CD1 3.4Å; V198-I269 VanDerWaalsContact CG2-CD1 3.4Å
199	I	98.9	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	102.6	170.5	-53.3	-56.4	0	0	0	107.7	L170 Y183 V187 V201 L221 V225 I238 L239 L240 K241	L170-I199 HydrophobicContact CD1-CD1 4.18Å; Y183-I199 HydrophobicContact CD1-CD1 4.03Å; Y183-I199 HydrophobicContact CD1-CG2 3.81Å; Y183-I199 HydrophobicContact CE1-CG2 3.86Å; Y183-I199 HydrophobicContact CG-CG2 4.3Å; V187-I199 HydrophobicContact CG2-CD1 4.24Å; I199-V201 HydrophobicContact CG2-CG1 4.15Å; I199-L221 HydrophobicContact CG2-CD2 3.91Å; I199-L221 HydrophobicContact CG2-CG 4.4Å; I199-V225 HydrophobicContact CD1-CB 4.37Å; I199-V225 HydrophobicContact CD1-CG1 4.14Å; I199-V225 HydrophobicContact CD1-CG2 4.38Å; I199-V225 HydrophobicContact CG1-CG2 4.3Å; I199-I238 HydrophobicContact CD1-CG2 4.5Å; I199-I238 HydrophobicContact CG1-CG2 3.74Å; I199-L239 PolarHBondContact N-O 3.38Å; I199-L240 HydrophobicContact CB-CD1 4.34Å; I199-L240 HydrophobicContact CG2-CD1 4.32Å; I199-K241 PolarHBondContact O-N 3.47Å
200	N	98.7	Very high	96.3	Very high	4 Å²	4	18 Å²	18	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	97.6	-176.9	-178.3	2.9	0	0	0	112.1	T114 N169 L170 Y183 S202 N272	T114-N200 PolarHBondContact OG1-ND2 3.34Å; N169-N200 WeakPolarHBondContact OD1-CB 3.28Å; N169-N200 PolarHBondContact OD1-ND2 3.48Å; L170-N200 WeakPolarHBondContact O-CB 3.15Å; L170-N200 PolarHBondContact O-N 3.26Å; Y183-N200 PolarHBondContact OH-O 2.95Å; N200-S202 PolarHBondContact OD1-N 2.95Å; N200-S202 PolarHBondContact OD1-OG 2.88Å; N200-S202 VanDerWaalsContact OD1-OG 3.06Å; N200-N272 PolarHBondContact OD1-ND2 3.19Å; N200-N272 VanDerWaalsContact OD1-ND2 3.09Å
201	V	98.2	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.127	C	C	.	.			trans	-102.5	11.8	178.7	-68.2	0	0	0	0	113.2	Y183 I199 R210 L212 Q213 L221 L240	Y183-V201 HydrophobicContact CE2-CG1 4.49Å; I199-V201 HydrophobicContact CG2-CG1 4.15Å; V201-R210 WeakPolarHBondContact O-CA 3.46Å; V201-L212 HydrophobicContact CB-CB 4.11Å; V201-L212 HydrophobicContact CG1-CB 3.91Å; V201-L212 HydrophobicContact CG1-CD1 4.09Å; V201-Q213 HydrophobicContact CB-CG 4.1Å; V201-Q213 HydrophobicContact CG2-CG 3.51Å; V201-L221 HydrophobicContact CG1-CD2 3.46Å; V201-L221 VanDerWaalsContact CG1-CD2 3.46Å; V201-L240 HydrophobicContact CG2-CD1 3.71Å
202	S	97.8	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.132	C	C	.	.			trans	-119.3	1.3	-162.5	49.6	0	0	0	0	115.6	N200 P204 R210 K241 N272	N200-S202 PolarHBondContact OD1-N 2.95Å; N200-S202 PolarHBondContact OD1-OG 2.88Å; N200-S202 VanDerWaalsContact OD1-OG 3.06Å; S202-P204 WeakPolarHBondContact O-CD 3.49Å; S202-R210 PolarHBondContact O-NE 3.39Å; S202-R210 PolarHBondContact O-NH2 3.32Å; S202-K241 WeakPolarHBondContact CB-O 3.38Å; S202-K241 VanDerWaalsContact OG-C 3.32Å; S202-K241 PolarHBondContact OG-O 3.08Å; S202-N272 WeakPolarHBondContact OG-CB 3.12Å; S202-N272 PolarHBondContact OG-ND2 3.49Å
203	S	95.5	Very high	95.9	Very high	8 Å²	8	16.8 Å²	16.8	6%	0.056	11%	0.111	C	C	.	.			trans	-60.8	124.8	175.1	174.5	0	0	0	0	110.9	F143 N205 T206 N272	F143-S203 VanDerWaalsContact CZ-CB 3.43Å; S203-N205 PolarHBondContact O-N 2.97Å; S203-N205 PolarHBondContact OG-N 3.49Å; S203-T206 PolarHBondContact OG-OG1 3.38Å; S203-N272 PolarHBondContact N-ND2 3.3Å
204	P	94	Very high	95.8	Very high	14 Å²	14	19.3 Å²	19.3	9%	0.091	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.5	173.2	28.2	-30.9	0	0	0	112.5	S202 L275 V298	S202-P204 WeakPolarHBondContact O-CD 3.49Å; P204-L275 HydrophobicContact CB-CD2 3.64Å; P204-V298 HydrophobicContact CB-CG1 4.33Å
205	N	93.7	Very high	95.7	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.064	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.2	-168.6	-57.8	-43.8	0	0	0	113.7	N123 N139 R140 S203 G300 G301	N123-N205 PolarHBondContact ND2-O 3.33Å; N139-N205 PolarHBondContact O-ND2 3.09Å; N139-N205 PolarHBondContact O-OD1 2.95Å; N139-N205 PolarHBondContact OD1-ND2 2.95Å; R140-N205 VanDerWaalsContact CA-CG 3.47Å; R140-N205 WeakPolarHBondContact CA-OD1 3.33Å; S203-N205 PolarHBondContact O-N 2.97Å; S203-N205 PolarHBondContact OG-N 3.49Å; N205-G300 WeakPolarHBondContact OD1-CA 3.36Å; N205-G301 PolarHBondContact OD1-N 2.81Å
206	T	90.9	Very high	95.7	Very high	13 Å²	13	26.9 Å²	26.9	8%	0.08	16%	0.161	C	C	.	.	S	Bend	trans	-115.8	105.1	178.4	-52.4	0	0	0	0	107.2	F143 S203 G208 L209	F143-T206 HydrophobicContact CD2-CG2 4.34Å; F143-T206 WeakPolarHBondContact CD2-OG1 3.36Å; F143-T206 HydrophobicContact CE2-CG2 4.36Å; S203-T206 PolarHBondContact OG-OG1 3.38Å; T206-G208 PolarHBondContact O-N 3.13Å; T206-L209 HydrophobicContact CG2-CB 3.97Å; T206-L209 HydrophobicContact CG2-CD1 4.42Å; T206-L209 HydrophobicContact CG2-CD2 4.35Å; T206-L209 HydrophobicContact CG2-CG 4.49Å; T206-L209 VanDerWaalsContact O-CB 3.23Å; T206-L209 WeakPolarHBondContact O-CB 3.25Å; T206-L209 PolarHBondContact O-N 2.99Å; T206-L209 VanDerWaalsContact O-N 3.15Å
207	P	86.9	Confident	95.6	Very high	103 Å²	103	31.9 Å²	31.9	67%	0.669	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	134.6	-174.9	-28.6	35.6	0	0	0	112.6	L209	P207-L209 PolarHBondContact O-N 3.34Å; P207-L209 VanDerWaalsContact O-N 3.09Å
208	G	89.9	Confident	95.6	Very high	58 Å²	58	31.9 Å²	31.9	60%	0.598	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	-11.9	178.1	0	0	0	0	0	115.9	T206 R210 S211	T206-G208 PolarHBondContact O-N 3.13Å; G208-R210 PolarHBondContact O-N 3.44Å; G208-S211 VanDerWaalsContact O-CB 3.26Å; G208-S211 WeakPolarHBondContact O-CB 3.45Å; G208-S211 PolarHBondContact O-N 2.96Å; G208-S211 PolarHBondContact O-OG 3.46Å
209	L	94.3	Very high	95.6	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-58.9	-46.3	-173.7	-173.8	74.7	0	0	0	112.9	F143 Y183 T206 P207 S211 L212	F143-L209 HydrophobicContact CE2-CD2 3.71Å; F143-L209 HydrophobicContact CZ-CD2 3.72Å; Y183-L209 WeakPolarHBondContact OH-CD1 3.46Å; T206-L209 HydrophobicContact CG2-CB 3.97Å; T206-L209 HydrophobicContact CG2-CD1 4.42Å; T206-L209 HydrophobicContact CG2-CD2 4.35Å; T206-L209 HydrophobicContact CG2-CG 4.49Å; T206-L209 VanDerWaalsContact O-CB 3.23Å; T206-L209 WeakPolarHBondContact O-CB 3.25Å; T206-L209 PolarHBondContact O-N 2.99Å; T206-L209 VanDerWaalsContact O-N 3.15Å; P207-L209 PolarHBondContact O-N 3.34Å; P207-L209 VanDerWaalsContact O-N 3.09Å; L209-S211 PolarHBondContact O-N 3.25Å; L209-L212 HydrophobicContact CD1-CD1 3.85Å; L209-L212 VanDerWaalsContact O-CB 3.26Å; L209-L212 WeakPolarHBondContact O-CB 3.22Å; L209-L212 WeakPolarHBondContact O-CG 3.2Å; L209-L212 PolarHBondContact O-N 3.38Å
210	R	94.7	Very high	95.6	Very high	45 Å²	45	38.4 Å²	38.4	17%	0.17	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.5	-17.3	-179.8	-72.4	-174	175.6	-170.9	-5.2	113.5	V201 S202 G208 L212 Q213 S243 D245 T273	V201-R210 WeakPolarHBondContact O-CA 3.46Å; S202-R210 PolarHBondContact O-NE 3.39Å; S202-R210 PolarHBondContact O-NH2 3.32Å; G208-R210 PolarHBondContact O-N 3.44Å; R210-L212 PolarHBondContact O-N 3.13Å; R210-Q213 WeakPolarHBondContact O-CB 3.18Å; R210-Q213 PolarHBondContact O-N 3.02Å; R210-Q213 VanDerWaalsContact O-N 3.13Å; R210-Q213 PolarHBondContact O-NE2 3.37Å; R210-S243 PolarHBondContact NH1-OG 3.35Å; R210-S243 PolarHBondContact NH2-OG 2.81Å; R210-D245 IonicContact CZ-OD2 2.75Å; R210-D245 IonicContact NH1-OD2 2.76Å; R210-D245 PolarHBondContact NH1-OD2 2.83Å; R210-D245 IonicContact NH2-OD2 2.76Å; R210-D245 PolarHBondContact NH2-OD2 3.27Å; R210-T273 PolarHBondContact NH2-O 3.41Å
211	S	94.3	Very high	95.6	Very high	47 Å²	47	38.2 Å²	38.2	33%	0.329	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66.2	-21.3	172.6	78.7	0	0	0	0	113.1	G208 L209 Q213 T214 K217	G208-S211 VanDerWaalsContact O-CB 3.26Å; G208-S211 WeakPolarHBondContact O-CB 3.45Å; G208-S211 PolarHBondContact O-N 2.96Å; G208-S211 PolarHBondContact O-OG 3.46Å; L209-S211 PolarHBondContact O-N 3.25Å; S211-Q213 PolarHBondContact O-N 2.82Å; S211-T214 WeakPolarHBondContact O-CB 3.35Å; S211-T214 WeakPolarHBondContact O-CG2 3.29Å; S211-T214 PolarHBondContact O-N 2.81Å; S211-T214 PolarHBondContact O-OG1 2.95Å; S211-K217 WeakPolarHBondContact O-CD 3.22Å; S211-K217 PolarHBondContact OG-NZ 2.68Å
212	L	96.5	Very high	95.6	Very high	18 Å²	18	38.2 Å²	38.2	9%	0.094	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.5	-14.6	173.1	-63.9	178.5	0	0	0	112.9	P179 Y183 V201 L209 R210 T214 K217 L218 L221	P179-L212 HydrophobicContact CB-CD1 4.23Å; Y183-L212 HydrophobicContact CE2-CD1 4.04Å; V201-L212 HydrophobicContact CB-CB 4.11Å; V201-L212 HydrophobicContact CG1-CB 3.91Å; V201-L212 HydrophobicContact CG1-CD1 4.09Å; L209-L212 HydrophobicContact CD1-CD1 3.85Å; L209-L212 VanDerWaalsContact O-CB 3.26Å; L209-L212 WeakPolarHBondContact O-CB 3.22Å; L209-L212 WeakPolarHBondContact O-CG 3.2Å; L209-L212 PolarHBondContact O-N 3.38Å; R210-L212 PolarHBondContact O-N 3.13Å; L212-T214 PolarHBondContact O-N 3.36Å; L212-K217 HydrophobicContact CD2-CB 4.4Å; L212-K217 HydrophobicContact CD2-CD 4.44Å; L212-L218 WeakPolarHBondContact O-CA 3.34Å; L212-L218 WeakPolarHBondContact O-CB 3.33Å; L212-L218 PolarHBondContact O-N 3.5Å; L212-L221 HydrophobicContact CD1-CD2 4.49Å
213	Q	96.9	Very high	95.6	Very high	3 Å²	3	41 Å²	41	1%	0.014	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-78.9	-6.7	174.9	-63.1	177.2	122	0	0	113.1	V201 R210 S211 E246 I254	V201-Q213 HydrophobicContact CB-CG 4.1Å; V201-Q213 HydrophobicContact CG2-CG 3.51Å; R210-Q213 WeakPolarHBondContact O-CB 3.18Å; R210-Q213 PolarHBondContact O-N 3.02Å; R210-Q213 VanDerWaalsContact O-N 3.13Å; R210-Q213 PolarHBondContact O-NE2 3.37Å; S211-Q213 PolarHBondContact O-N 2.82Å; Q213-E246 PolarHBondContact NE2-OE1 2.75Å; Q213-I254 HydrophobicContact CB-CD1 4.05Å; Q213-I254 HydrophobicContact CB-CG1 4.46Å; Q213-I254 WeakPolarHBondContact O-CG1 3.34Å
214	T	96.4	Very high	95.8	Very high	63 Å²	63	44.7 Å²	44.7	39%	0.387	25%	0.246	S	C	.	.	S	Bend	trans	-67.6	145.2	173.1	58.7	0	0	0	0	110.8	S211 L212 E216 K217 L218	S211-T214 WeakPolarHBondContact O-CB 3.35Å; S211-T214 WeakPolarHBondContact O-CG2 3.29Å; S211-T214 PolarHBondContact O-N 2.81Å; S211-T214 PolarHBondContact O-OG1 2.95Å; L212-T214 PolarHBondContact O-N 3.36Å; T214-E216 PolarHBondContact O-N 3.44Å; T214-K217 PolarHBondContact O-N 3.08Å; T214-L218 VanDerWaalsContact O-CB 3.29Å; T214-L218 WeakPolarHBondContact O-CB 3.03Å; T214-L218 PolarHBondContact O-N 2.95Å
215	K	97.6	Very high	96	Very high	50 Å²	50	44 Å²	44	22%	0.217	24%	0.242	C	C	.	.	H	α-helix	trans	-44.2	-55.5	-171.6	-167	168.4	-177.8	162.2	0	114.3	R219 D253 E256 V257	K215-R219 WeakPolarHBondContact O-CB 3.45Å; K215-R219 PolarHBondContact O-N 3.04Å; K215-D253 HydrophobicContact CB-CB 4.04Å; K215-D253 HydrophobicContact CD-CB 4.15Å; K215-D253 HydrophobicContact CG-CB 4.25Å; K215-D253 IonicContact NZ-OD1 2.93Å; K215-E256 WeakPolarHBondContact CE-OE1 3.33Å; K215-E256 IonicContact NZ-OE1 3.16Å; K215-E256 PolarHBondContact NZ-OE1 3.03Å; K215-E256 IonicContact NZ-OE2 3.94Å; K215-E256 PolarHBondContact NZ-OE2 3.13Å; K215-V257 HydrophobicContact CG-CG2 3.76Å
216	E	97.7	Very high	96.3	Very high	120 Å²	120	43.9 Å²	43.9	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-70.5	-42.9	-175	-62.1	-51.1	141.2	0	0	113.1	T214 L218 R219 D220	T214-E216 PolarHBondContact O-N 3.44Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-R219 PolarHBondContact O-N 2.88Å; E216-R219 IonicContact OE1-CZ 2.7Å; E216-R219 IonicContact OE1-NH1 3.84Å; E216-R219 PolarHBondContact OE1-NH1 3.23Å; E216-R219 IonicContact OE2-CZ 2.85Å; E216-R219 IonicContact OE2-NH1 3.08Å; E216-R219 PolarHBondContact OE2-NH1 2.84Å; E216-D220 PolarHBondContact O-N 3.49Å
217	K	97.9	Very high	96.6	Very high	105 Å²	105	45.5 Å²	45.5	46%	0.457	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-38.7	177.9	-67.8	-174.4	178	-176.4	0	111.5	S211 L212 T214 L221	S211-K217 WeakPolarHBondContact O-CD 3.22Å; S211-K217 PolarHBondContact OG-NZ 2.68Å; L212-K217 HydrophobicContact CD2-CB 4.4Å; L212-K217 HydrophobicContact CD2-CD 4.44Å; T214-K217 PolarHBondContact O-N 3.08Å; K217-L221 WeakPolarHBondContact O-CB 3.24Å; K217-L221 PolarHBondContact O-N 3.37Å
218	L	98.7	Very high	97.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-42.2	176.5	-173.5	61	0	0	0	110.8	L212 T214 E216 L221 L222 L240 I254 V257	L212-L218 WeakPolarHBondContact O-CA 3.34Å; L212-L218 WeakPolarHBondContact O-CB 3.33Å; L212-L218 PolarHBondContact O-N 3.5Å; T214-L218 VanDerWaalsContact O-CB 3.29Å; T214-L218 WeakPolarHBondContact O-CB 3.03Å; T214-L218 PolarHBondContact O-N 2.95Å; E216-L218 VanDerWaalsContact C-N 3.34Å; L218-L221 PolarHBondContact O-N 2.98Å; L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CD2 4.36Å; L218-L222 HydrophobicContact CD1-CG 3.93Å; L218-L222 HydrophobicContact CG-CD1 4.01Å; L218-L222 HydrophobicContact CG-CG 4.18Å; L218-L222 WeakPolarHBondContact O-CB 3.21Å; L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 2.95Å; L218-L240 HydrophobicContact CD1-CD1 3.9Å; L218-L240 HydrophobicContact CD1-CD2 3.94Å; L218-L240 HydrophobicContact CD2-CD2 3.92Å; L218-L240 HydrophobicContact CG-CD2 4.47Å; L218-I254 HydrophobicContact CD2-CB 4.21Å; L218-I254 HydrophobicContact CD2-CG1 4.03Å; L218-I254 HydrophobicContact CD2-CG2 4.12Å; L218-V257 HydrophobicContact CB-CG1 4.3Å; L218-V257 HydrophobicContact CD2-CB 4.21Å; L218-V257 HydrophobicContact CD2-CG1 4.16Å; L218-V257 HydrophobicContact CG-CB 4.5Å; L218-V257 HydrophobicContact CG-CG1 3.92Å
219	R	98.5	Very high	97.6	Very high	67 Å²	67	38.5 Å²	38.5	25%	0.253	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-47	177.2	-175.2	-177	-71.1	128	-5.4	111.5	K215 E216 S223 V257 T263	K215-R219 WeakPolarHBondContact O-CB 3.45Å; K215-R219 PolarHBondContact O-N 3.04Å; E216-R219 PolarHBondContact O-N 2.88Å; E216-R219 IonicContact OE1-CZ 2.7Å; E216-R219 IonicContact OE1-NH1 3.84Å; E216-R219 PolarHBondContact OE1-NH1 3.23Å; E216-R219 IonicContact OE2-CZ 2.85Å; E216-R219 IonicContact OE2-NH1 3.08Å; E216-R219 PolarHBondContact OE2-NH1 2.84Å; R219-S223 VanDerWaalsContact O-CB 3.23Å; R219-S223 WeakPolarHBondContact O-CB 3.44Å; R219-S223 PolarHBondContact O-N 3.17Å; R219-V257 HydrophobicContact CB-CG1 3.98Å; R219-V257 HydrophobicContact CB-CG2 4.35Å; R219-T263 HydrophobicContact CG-CG2 4.01Å; R219-T263 WeakPolarHBondContact O-CG2 3.32Å
220	D	98.4	Very high	97.8	Very high	70 Å²	70	42.9 Å²	42.9	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-48.3	176.1	179.3	67.5	0	0	0	111.7	E216 K224	E216-D220 PolarHBondContact O-N 3.49Å; D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 VanDerWaalsContact O-N 3.16Å; D220-K224 WeakPolarHBondContact OD1-CE 3.29Å; D220-K224 IonicContact OD1-NZ 3.85Å; D220-K224 PolarHBondContact OD1-NZ 2.84Å; D220-K224 IonicContact OD2-NZ 3.08Å; D220-K224 PolarHBondContact OD2-NZ 3.09Å
221	L	98.7	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-56.1	177.5	172.9	60.7	0	0	0	111.5	T180 Y183 I199 V201 L212 K217 L218 S223 K224 V225	T180-L221 HydrophobicContact CG2-CD1 3.79Å; Y183-L221 HydrophobicContact CD2-CD1 3.54Å; Y183-L221 HydrophobicContact CD2-CD2 4.34Å; Y183-L221 HydrophobicContact CE2-CD1 4.32Å; Y183-L221 HydrophobicContact CE2-CD2 4.36Å; Y183-L221 HydrophobicContact CG-CD1 3.96Å; I199-L221 HydrophobicContact CG2-CD2 3.91Å; I199-L221 HydrophobicContact CG2-CG 4.4Å; V201-L221 HydrophobicContact CG1-CD2 3.46Å; V201-L221 VanDerWaalsContact CG1-CD2 3.46Å; L212-L221 HydrophobicContact CD1-CD2 4.49Å; K217-L221 WeakPolarHBondContact O-CB 3.24Å; K217-L221 PolarHBondContact O-N 3.37Å; L218-L221 PolarHBondContact O-N 2.98Å; L221-S223 VanDerWaalsContact C-N 3.34Å; L221-S223 PolarHBondContact O-N 2.82Å; L221-K224 PolarHBondContact O-N 3.46Å; L221-V225 HydrophobicContact CD1-CG1 3.96Å; L221-V225 WeakPolarHBondContact O-CG2 3.45Å; L221-V225 PolarHBondContact O-N 2.91Å
222	L	98.8	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-40.5	-176.6	-68	-171.1	0	0	0	112.1	L218 K224 V225 L226 L240 V257 T263 I265	L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CD2 4.36Å; L218-L222 HydrophobicContact CD1-CG 3.93Å; L218-L222 HydrophobicContact CG-CD1 4.01Å; L218-L222 HydrophobicContact CG-CG 4.18Å; L218-L222 WeakPolarHBondContact O-CB 3.21Å; L218-L222 WeakPolarHBondContact O-CG 3.42Å; L218-L222 PolarHBondContact O-N 2.95Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 2.86Å; L222-V225 HydrophobicContact CD2-CG2 4.12Å; L222-V225 WeakPolarHBondContact O-CG2 3.39Å; L222-V225 PolarHBondContact O-N 3.01Å; L222-L226 VanDerWaalsContact O-CB 3.24Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CD1 3.29Å; L222-L226 VanDerWaalsContact O-CG 3.22Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 2.89Å; L222-L240 HydrophobicContact CD1-CD2 4.48Å; L222-L240 HydrophobicContact CD2-CD1 4.41Å; L222-V257 HydrophobicContact CD1-CG1 3.99Å; L222-T263 HydrophobicContact CB-CG2 4.12Å; L222-I265 HydrophobicContact CD1-CG2 3.83Å; L222-I265 HydrophobicContact CD2-CG2 3.93Å; L222-I265 HydrophobicContact CG-CG2 4.41Å
223	S	98.6	Very high	98.2	Very high	57 Å²	57	51.3 Å²	51.3	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-48.6	175.2	-179.7	0	0	0	0	111.4	R219 L221 A227	R219-S223 VanDerWaalsContact O-CB 3.23Å; R219-S223 WeakPolarHBondContact O-CB 3.44Å; R219-S223 PolarHBondContact O-N 3.17Å; L221-S223 VanDerWaalsContact C-N 3.34Å; L221-S223 PolarHBondContact O-N 2.82Å; S223-A227 VanDerWaalsContact O-CB 3.28Å; S223-A227 WeakPolarHBondContact O-CB 3.29Å; S223-A227 PolarHBondContact O-N 2.86Å
224	K	98.7	Very high	98.2	Very high	87 Å²	87	54.1 Å²	54.1	38%	0.378	28%	0.283	S	S	.	.	H	α-helix	trans	-69.5	-42.1	-178.7	-73	166.8	176.7	166.4	0	112.8	T180 V184 D220 L221 L222 A227 A228	T180-K224 HydrophobicContact CG2-CB 3.93Å; T180-K224 HydrophobicContact CG2-CD 3.44Å; T180-K224 VanDerWaalsContact CG2-CD 3.44Å; T180-K224 HydrophobicContact CG2-CG 4.33Å; V184-K224 HydrophobicContact CG2-CB 3.98Å; D220-K224 WeakPolarHBondContact O-CG 3.48Å; D220-K224 PolarHBondContact O-N 3.05Å; D220-K224 VanDerWaalsContact O-N 3.16Å; D220-K224 WeakPolarHBondContact OD1-CE 3.29Å; D220-K224 IonicContact OD1-NZ 3.85Å; D220-K224 PolarHBondContact OD1-NZ 2.84Å; D220-K224 IonicContact OD2-NZ 3.08Å; D220-K224 PolarHBondContact OD2-NZ 3.09Å; L221-K224 PolarHBondContact O-N 3.46Å; L222-K224 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 2.86Å; K224-A227 PolarHBondContact O-N 2.76Å; K224-A228 WeakPolarHBondContact O-CB 3.5Å; K224-A228 PolarHBondContact O-N 2.54Å
225	V	98.7	Very high	98.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.6	-37.1	178.1	-63.8	0	0	0	0	112.1	V184 V187 I199 L221 L222 A228 R229	V184-V225 HydrophobicContact CG2-CG1 4.12Å; V187-V225 HydrophobicContact CG2-CB 4.06Å; V187-V225 HydrophobicContact CG2-CG1 4.33Å; I199-V225 HydrophobicContact CD1-CB 4.37Å; I199-V225 HydrophobicContact CD1-CG1 4.14Å; I199-V225 HydrophobicContact CD1-CG2 4.38Å; I199-V225 HydrophobicContact CG1-CG2 4.3Å; L221-V225 HydrophobicContact CD1-CG1 3.96Å; L221-V225 WeakPolarHBondContact O-CG2 3.45Å; L221-V225 PolarHBondContact O-N 2.91Å; L222-V225 HydrophobicContact CD2-CG2 4.12Å; L222-V225 WeakPolarHBondContact O-CG2 3.39Å; L222-V225 PolarHBondContact O-N 3.01Å; V225-A228 PolarHBondContact O-N 2.89Å; V225-R229 WeakPolarHBondContact O-CB 3.35Å; V225-R229 PolarHBondContact O-N 3.28Å
226	L	98.7	Very high	98.3	Very high	8 Å²	8	56 Å²	56	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-70.5	-38.7	176.3	-72	165.4	0	0	0	111.3	L222 A228 R229 N230 I238 T263	L222-L226 VanDerWaalsContact O-CB 3.24Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CD1 3.29Å; L222-L226 VanDerWaalsContact O-CG 3.22Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 2.89Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 2.89Å; L226-R229 PolarHBondContact O-N 2.82Å; L226-N230 WeakPolarHBondContact O-CB 3.25Å; L226-N230 PolarHBondContact O-N 3.45Å; L226-N230 PolarHBondContact O-ND2 2.85Å; L226-N230 PolarHBondContact O-OD1 2.7Å; L226-I238 HydrophobicContact CD2-CD1 4.29Å; L226-T263 WeakPolarHBondContact CD1-O 3.35Å
227	A	98.5	Very high	98.3	Very high	47 Å²	47	51 Å²	51	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-44.7	172.1	0	0	0	0	0	111.2	S223 K224 N230 Q231	S223-A227 VanDerWaalsContact O-CB 3.28Å; S223-A227 WeakPolarHBondContact O-CB 3.29Å; S223-A227 PolarHBondContact O-N 2.86Å; K224-A227 PolarHBondContact O-N 2.76Å; A227-N230 PolarHBondContact O-N 3.02Å; A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.99Å
228	A	98.7	Very high	98.4	Very high	3 Å²	3	46 Å²	46	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.3	0	0	0	0	0	112.3	V184 V187 R188 K224 V225 L226 N230 Q231	V184-A228 HydrophobicContact CG1-CB 3.83Å; V184-A228 HydrophobicContact CG2-CB 4.49Å; V187-A228 HydrophobicContact CB-CB 4.5Å; V187-A228 HydrophobicContact CG1-CB 4.09Å; R188-A228 HydrophobicContact CG-CB 4.41Å; K224-A228 WeakPolarHBondContact O-CB 3.5Å; K224-A228 PolarHBondContact O-N 2.54Å; V225-A228 PolarHBondContact O-N 2.89Å; L226-A228 VanDerWaalsContact C-N 3.33Å; L226-A228 PolarHBondContact O-N 2.89Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.05Å; A228-Q231 PolarHBondContact O-N 3.32Å
229	R	98.5	Very high	98.4	Very high	11 Å²	11	46 Å²	46	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-42.5	175.7	-173.2	-83.3	-60.9	-100.1	-1.3	111.7	V187 V225 L226 Q231 L232 T236 I238 D266	V187-R229 HydrophobicContact CG1-CB 3.86Å; V225-R229 WeakPolarHBondContact O-CB 3.35Å; V225-R229 PolarHBondContact O-N 3.28Å; L226-R229 PolarHBondContact O-N 2.82Å; R229-Q231 PolarHBondContact O-N 2.78Å; R229-L232 WeakPolarHBondContact O-CB 3.41Å; R229-L232 PolarHBondContact O-N 2.97Å; R229-T236 PolarHBondContact NH1-O 2.6Å; R229-T236 VanDerWaalsContact NH1-O 3.09Å; R229-I238 HydrophobicContact CB-CD1 3.61Å; R229-I238 HydrophobicContact CG-CD1 3.76Å; R229-I238 HydrophobicContact CG-CG1 4.25Å; R229-D266 IonicContact CZ-OD2 3.06Å; R229-D266 IonicContact NH1-OD1 2.73Å; R229-D266 IonicContact NH1-OD2 3.21Å; R229-D266 PolarHBondContact NH1-OD2 3.09Å; R229-D266 IonicContact NH2-OD2 3.92Å
230	N	97.9	Very high	98.4	Very high	98 Å²	98	42.8 Å²	42.8	52%	0.524	23%	0.23	S	C	.	.	H	α-helix	trans	-72	-11	-177.6	-66.2	-15.9	0	0	0	113.4	L226 A227 A228	L226-N230 WeakPolarHBondContact O-CB 3.25Å; L226-N230 PolarHBondContact O-N 3.45Å; L226-N230 PolarHBondContact O-ND2 2.85Å; L226-N230 PolarHBondContact O-OD1 2.7Å; A227-N230 PolarHBondContact O-N 3.02Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.05Å
231	Q	98.3	Very high	98.4	Very high	140 Å²	140	39.9 Å²	39.9	65%	0.654	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.1	172.5	-70.9	171.5	-5.9	0	0	113.1	A227 A228 R229	A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.99Å; A228-Q231 PolarHBondContact O-N 3.32Å; R229-Q231 PolarHBondContact O-N 2.78Å
232	L	98.3	Very high	98.4	Very high	37 Å²	37	39.9 Å²	39.9	19%	0.194	21%	0.214	C	C	.	.	S	Bend	trans	-85.3	158.5	179.7	-56	178.5	0	0	0	111.3	V187 E192 R229 K234	V187-L232 HydrophobicContact CG1-CD1 4.45Å; V187-L232 WeakPolarHBondContact O-CD1 3.45Å; E192-L232 HydrophobicContact CG-CB 4.22Å; E192-L232 HydrophobicContact CG-CD1 4.43Å; R229-L232 WeakPolarHBondContact O-CB 3.41Å; R229-L232 PolarHBondContact O-N 2.97Å; L232-K234 VanDerWaalsContact C-N 3.33Å
233	S	97.5	Very high	98.4	Very high	110 Å²	110	39.9 Å²	39.9	77%	0.769	21%	0.214	S	C	*	.	S	Bend	trans	-68.5	-35.1	176.5	66.2	0	0	0	0	112.2	E192	E192-S233 WeakPolarHBondContact OE1-CB 3.44Å; E192-S233 PolarHBondContact OE1-N 3.28Å; E192-S233 PolarHBondContact OE1-OG 3Å
234	K	97.2	Very high	98.4	Very high	62 Å²	62	37.6 Å²	37.6	27%	0.27	20%	0.198	S	C	.	.	S	Bend	trans	-97.4	124	177.5	-174.2	-174.9	176.6	-174.5	0	110.9	E192 A194 L232 T236	E192-K234 HydrophobicContact CG-CB 4.47Å; A194-K234 PolarHBondContact O-NZ 3.19Å; L232-K234 VanDerWaalsContact C-N 3.33Å; K234-T236 VanDerWaalsContact C-N 3.28Å; K234-T236 VanDerWaalsContact CD-OG1 3.25Å; K234-T236 WeakPolarHBondContact CD-OG1 3.15Å; K234-T236 VanDerWaalsContact CE-OG1 3.24Å; K234-T236 WeakPolarHBondContact CE-OG1 3.22Å; K234-T236 WeakPolarHBondContact CG-OG1 3.43Å; K234-T236 PolarHBondContact O-N 2.83Å
235	K	96.8	Very high	98.3	Very high	151 Å²	151	35.7 Å²	35.7	66%	0.657	19%	0.192	S	C	*	.			trans	-84.2	66.7	175	-163.7	176	-177	177.4	0	111.9
236	T	98.6	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.199	C	C	.	.			trans	-63.3	135.7	-179	-66.5	0	0	0	0	111.7	G191 L197 R229 K234	G191-T236 VanDerWaalsContact O-CB 3.29Å; G191-T236 WeakPolarHBondContact O-CB 3.25Å; G191-T236 PolarHBondContact O-OG1 3.37Å; L197-T236 HydrophobicContact CG-CG2 4.01Å; R229-T236 PolarHBondContact NH1-O 2.6Å; R229-T236 VanDerWaalsContact NH1-O 3.09Å; K234-T236 VanDerWaalsContact C-N 3.28Å; K234-T236 VanDerWaalsContact CD-OG1 3.25Å; K234-T236 WeakPolarHBondContact CD-OG1 3.15Å; K234-T236 VanDerWaalsContact CE-OG1 3.24Å; K234-T236 WeakPolarHBondContact CE-OG1 3.22Å; K234-T236 WeakPolarHBondContact CG-OG1 3.43Å; K234-T236 PolarHBondContact O-N 2.83Å
237	P	98.8	Very high	98.2	Very high	17 Å²	17	40.9 Å²	40.9	11%	0.11	22%	0.218	C	C	.	.			trans	-57.1	133.6	174.5	-26.6	33.9	0	0	0	112.8	F78 D195 Y196 L197 L239 D266	F78-P237 HydrophobicContact CB-CB 4.01Å; F78-P237 HydrophobicContact CB-CG 3.87Å; D195-P237 WeakPolarHBondContact O-CD 3.45Å; Y196-P237 WeakPolarHBondContact CA-O 3.25Å; L197-P237 PolarHBondContact N-O 3.42Å; P237-L239 HydrophobicContact CB-CD1 4.12Å; P237-D266 WeakPolarHBondContact CA-OD2 3.48Å; P237-D266 HydrophobicContact CB-CB 3.91Å
238	I	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.6	173.5	-71.3	-179.1	0	0	0	109.9	V187 L197 I199 L226 R229 I265 D266 G267	V187-I238 HydrophobicContact CG1-CD1 4.44Å; V187-I238 HydrophobicContact CG2-CD1 4.19Å; L197-I238 HydrophobicContact CB-CG1 4.29Å; I199-I238 HydrophobicContact CD1-CG2 4.5Å; I199-I238 HydrophobicContact CG1-CG2 3.74Å; L226-I238 HydrophobicContact CD2-CD1 4.29Å; R229-I238 HydrophobicContact CB-CD1 3.61Å; R229-I238 HydrophobicContact CG-CD1 3.76Å; R229-I238 HydrophobicContact CG-CG1 4.25Å; I238-I265 HydrophobicContact CG2-CG2 4.37Å; I238-D266 PolarHBondContact N-OD2 2.72Å; I238-D266 PolarHBondContact O-N 3.4Å; I238-G267 PolarHBondContact O-N 3.06Å
239	L	98.9	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.2	178.3	-68.7	66.5	0	0	0	110.5	F78 Y196 L197 V198 I199 P237 G267 I269 I329	F78-L239 HydrophobicContact CE1-CD2 4.42Å; F78-L239 HydrophobicContact CE1-CG 4.43Å; F78-L239 HydrophobicContact CE2-CD2 3.85Å; F78-L239 HydrophobicContact CZ-CD2 3.74Å; F78-L239 HydrophobicContact CZ-CG 4.23Å; Y196-L239 HydrophobicContact CD2-CD1 3.85Å; Y196-L239 HydrophobicContact CD2-CD2 3.95Å; Y196-L239 HydrophobicContact CD2-CG 4.44Å; Y196-L239 HydrophobicContact CE2-CD2 4.19Å; Y196-L239 HydrophobicContact CG-CD1 4.19Å; L197-L239 PolarHBondContact O-N 2.79Å; V198-L239 CarbonylContact C-O 3.52Å; V198-L239 WeakPolarHBondContact CA-O 2.98Å; V198-L239 HydrophobicContact CG2-CB 4.35Å; I199-L239 PolarHBondContact N-O 3.38Å; P237-L239 HydrophobicContact CB-CD1 4.12Å; L239-G267 WeakPolarHBondContact CA-O 3.35Å; L239-I269 HydrophobicContact CB-CD1 4.24Å; L239-I269 HydrophobicContact CB-CG1 4.48Å; L239-I269 HydrophobicContact CD2-CD1 4.06Å; L239-I269 HydrophobicContact CD2-CG1 4.02Å; L239-I329 HydrophobicContact CD2-CD1 3.63Å; L239-I329 HydrophobicContact CD2-CG1 4.22Å
240	L	98.9	Very high	98.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.6	172.8	-178.7	66.2	0	0	0	110.6	I199 V201 L218 L222 I242 I254 I265 G267 M268 I269	I199-L240 HydrophobicContact CB-CD1 4.34Å; I199-L240 HydrophobicContact CG2-CD1 4.32Å; V201-L240 HydrophobicContact CG2-CD1 3.71Å; L218-L240 HydrophobicContact CD1-CD1 3.9Å; L218-L240 HydrophobicContact CD1-CD2 3.94Å; L218-L240 HydrophobicContact CD2-CD2 3.92Å; L218-L240 HydrophobicContact CG-CD2 4.47Å; L222-L240 HydrophobicContact CD1-CD2 4.48Å; L222-L240 HydrophobicContact CD2-CD1 4.41Å; L240-I242 HydrophobicContact CD2-CG2 3.9Å; L240-I242 HydrophobicContact CG-CG2 3.79Å; L240-I254 HydrophobicContact CD2-CG2 3.98Å; L240-I265 HydrophobicContact CB-CD1 3.36Å; L240-I265 HydrophobicContact CD2-CD1 4.27Å; L240-I265 HydrophobicContact CG-CD1 4.46Å; L240-G267 PolarHBondContact N-O 3Å; L240-M268 HydrophobicContact CB-CG 4.43Å; L240-M268 HydrophobicContact CD2-CE 4.42Å; L240-M268 CarbonylContact O-C 3.55Å; L240-M268 VanDerWaalsContact O-CA 3.25Å; L240-M268 WeakPolarHBondContact O-CA 3.16Å; L240-I269 PolarHBondContact O-N 3.24Å
241	K	98.9	Very high	98.1	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.7	176.4	-174.2	172.8	-164.2	163.9	0	111	E111 V198 I199 S202 I269	E111-K241 IonicContact OE1-NZ 3.83Å; E111-K241 PolarHBondContact OE1-NZ 3.01Å; V198-K241 HydrophobicContact CG1-CB 3.57Å; V198-K241 HydrophobicContact CG1-CD 4.24Å; I199-K241 PolarHBondContact O-N 3.47Å; S202-K241 WeakPolarHBondContact CB-O 3.38Å; S202-K241 VanDerWaalsContact OG-C 3.32Å; S202-K241 PolarHBondContact OG-O 3.08Å; K241-I269 HydrophobicContact CB-CB 4.02Å; K241-I269 HydrophobicContact CB-CD1 4.43Å; K241-I269 HydrophobicContact CD-CB 4.46Å; K241-I269 HydrophobicContact CD-CG2 4.1Å; K241-I269 HydrophobicContact CG-CB 3.94Å; K241-I269 HydrophobicContact CG-CG2 3.89Å
242	I	98.7	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	165.2	-172.5	72	170.2	0	0	0	113.5	L240 L251 I254 M268 I269 I270 S271 N272 V318	L240-I242 HydrophobicContact CD2-CG2 3.9Å; L240-I242 HydrophobicContact CG-CG2 3.79Å; I242-L251 HydrophobicContact CD1-CD2 3.73Å; I242-I254 HydrophobicContact CD1-CG2 4.37Å; I242-I254 HydrophobicContact CG2-CG2 3.97Å; I242-M268 HydrophobicContact CD1-CE 3.99Å; I242-M268 HydrophobicContact CG2-CE 4.15Å; I242-I269 PolarHBondContact N-O 2.81Å; I242-I270 HydrophobicContact CD1-CD1 3.59Å; I242-I270 HydrophobicContact CG1-CD1 3.49Å; I242-I270 VanDerWaalsContact CG1-CD1 3.49Å; I242-S271 CarbonylContact O-C 3.57Å; I242-S271 WeakPolarHBondContact O-CA 3.33Å; I242-N272 PolarHBondContact O-N 2.87Å; I242-V318 HydrophobicContact CD1-CG2 4.07Å
243	S	97.8	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.			trans	-78.3	143.3	178.6	177.2	0	0	0	0	111.6	R210 D245 E246	R210-S243 PolarHBondContact NH1-OG 3.35Å; R210-S243 PolarHBondContact NH2-OG 2.81Å; S243-D245 PolarHBondContact O-N 3.19Å; S243-D245 WeakPolarHBondContact OG-CB 3.32Å; S243-D245 PolarHBondContact OG-N 3.43Å; S243-D245 VanDerWaalsContact OG-N 3.08Å; S243-E246 WeakPolarHBondContact CB-OE1 3.32Å
244	P	98.1	Very high	98.2	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.058	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.2	169.3	32.5	-33.4	0	0	0	112.9	S271 N272 T273 L307 K310	P244-S271 WeakPolarHBondContact CB-OG 3.45Å; P244-N272 WeakPolarHBondContact CD-O 3.4Å; P244-N272 WeakPolarHBondContact CG-O 3.36Å; P244-T273 WeakPolarHBondContact CD-O 3.5Å; P244-L307 HydrophobicContact CB-CD1 4.24Å; P244-L307 HydrophobicContact CG-CD1 3.9Å; P244-K310 HydrophobicContact CB-CD 4.15Å; P244-K310 HydrophobicContact CB-CG 4.21Å; P244-K310 HydrophobicContact CG-CD 4.45Å
245	D	97.5	Very high	98.3	Very high	47 Å²	47	34.7 Å²	34.7	25%	0.251	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.1	-174.7	-55	-45.1	0	0	0	113.2	R210 S243 T274 L275	R210-D245 IonicContact CZ-OD2 2.75Å; R210-D245 IonicContact NH1-OD2 2.76Å; R210-D245 PolarHBondContact NH1-OD2 2.83Å; R210-D245 IonicContact NH2-OD2 2.76Å; R210-D245 PolarHBondContact NH2-OD2 3.27Å; S243-D245 PolarHBondContact O-N 3.19Å; S243-D245 WeakPolarHBondContact OG-CB 3.32Å; S243-D245 PolarHBondContact OG-N 3.43Å; S243-D245 VanDerWaalsContact OG-N 3.08Å; D245-T274 PolarHBondContact OD1-OG1 3.39Å; D245-T274 WeakPolarHBondContact OD2-CA 3.47Å; D245-L275 PolarHBondContact OD2-N 2.65Å
246	E	97.4	Very high	98.4	Very high	31 Å²	31	31.9 Å²	31.9	15%	0.145	16%	0.16	C	C	.	.			trans	-72.1	141	177.6	-60.6	-49.7	133	0	0	111.4	Q213 S243 N250 L251 I254	Q213-E246 PolarHBondContact NE2-OE1 2.75Å; S243-E246 WeakPolarHBondContact CB-OE1 3.32Å; E246-N250 HydrophobicContact CB-CB 4.16Å; E246-N250 PolarHBondContact OE2-ND2 3.2Å; E246-L251 HydrophobicContact CB-CD2 3.73Å; E246-L251 HydrophobicContact CB-CG 3.94Å; E246-L251 HydrophobicContact CG-CD2 4.38Å; E246-I254 HydrophobicContact CG-CD1 4.02Å
247	N	97.4	Very high	98.4	Very high	86 Å²	86	31.9 Å²	31.9	46%	0.46	16%	0.159	S	C	.	.			trans	-75.2	164.7	170.7	70.3	57.7	0	0	0	111	Q249 N250 L251	N247-Q249 VanDerWaalsContact C-N 3.26Å; N247-Q249 PolarHBondContact O-N 2.94Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.31Å; N247-Q249 WeakPolarHBondContact OD1-CB 3.29Å; N247-Q249 PolarHBondContact OD1-N 2.85Å; N247-N250 PolarHBondContact O-N 3.4Å; N247-N250 VanDerWaalsContact O-N 3.16Å; N247-N250 PolarHBondContact OD1-N 3.2Å; N247-L251 WeakPolarHBondContact O-CG 3.42Å; N247-L251 PolarHBondContact O-N 2.77Å
248	D	98.1	Very high	98.4	Very high	85 Å²	85	31 Å²	31	46%	0.455	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-30.6	-174.7	-67.9	-1.5	0	0	0	113.8	K252 K317	D248-K252 WeakPolarHBondContact O-CG 3.42Å; D248-K252 PolarHBondContact O-N 2.75Å; D248-K252 VanDerWaalsContact O-N 3.14Å; D248-K317 WeakPolarHBondContact OD1-CD 3.34Å; D248-K317 WeakPolarHBondContact OD1-CE 3.41Å; D248-K317 IonicContact OD1-NZ 4Å; D248-K317 PolarHBondContact OD1-NZ 3.46Å; D248-K317 IonicContact OD2-NZ 2.76Å
249	Q	98.1	Very high	98.3	Very high	100 Å²	100	33.1 Å²	33.1	47%	0.467	17%	0.165	S	C	.	.	H	α-helix	trans	-73.1	-43.9	176.7	-175	56.9	45.7	0	0	111.4	N247 L251 K252 D253	N247-Q249 VanDerWaalsContact C-N 3.26Å; N247-Q249 PolarHBondContact O-N 2.94Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.31Å; N247-Q249 WeakPolarHBondContact OD1-CB 3.29Å; N247-Q249 PolarHBondContact OD1-N 2.85Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.25Å; Q249-K252 WeakPolarHBondContact O-CB 3.31Å; Q249-K252 PolarHBondContact O-N 2.66Å; Q249-D253 PolarHBondContact NE2-OD1 2.89Å; Q249-D253 VanDerWaalsContact NE2-OD1 3.15Å; Q249-D253 PolarHBondContact O-N 3.27Å
250	N	98	Very high	98.3	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.262	18%	0.178	S	C	.	.	H	α-helix	trans	-60.2	-40.6	173.9	-74	8	0	0	0	110.9	E246 N247 K252 D253 I254	E246-N250 HydrophobicContact CB-CB 4.16Å; E246-N250 PolarHBondContact OE2-ND2 3.2Å; N247-N250 PolarHBondContact O-N 3.4Å; N247-N250 VanDerWaalsContact O-N 3.16Å; N247-N250 PolarHBondContact OD1-N 3.2Å; N250-K252 VanDerWaalsContact C-N 3.34Å; N250-K252 PolarHBondContact O-N 2.78Å; N250-D253 PolarHBondContact O-N 3Å; N250-I254 WeakPolarHBondContact O-CB 3.37Å; N250-I254 WeakPolarHBondContact O-CD1 3.39Å; N250-I254 WeakPolarHBondContact O-CG1 3.44Å; N250-I254 PolarHBondContact O-N 3.31Å
251	L	98.6	Very high	98.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-42	175.7	-70.4	178.9	0	0	0	112	I242 E246 N247 Q249 V255 K317 V318 L321	I242-L251 HydrophobicContact CD1-CD2 3.73Å; E246-L251 HydrophobicContact CB-CD2 3.73Å; E246-L251 HydrophobicContact CB-CG 3.94Å; E246-L251 HydrophobicContact CG-CD2 4.38Å; N247-L251 WeakPolarHBondContact O-CG 3.42Å; N247-L251 PolarHBondContact O-N 2.77Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.25Å; L251-V255 WeakPolarHBondContact O-CB 3.34Å; L251-V255 VanDerWaalsContact O-CG2 3.32Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.95Å; L251-K317 HydrophobicContact CD1-CB 4.1Å; L251-K317 HydrophobicContact CD1-CD 4.08Å; L251-V318 HydrophobicContact CD2-CG2 4.01Å; L251-L321 HydrophobicContact CB-CD1 4.05Å
252	K	98.5	Very high	98.1	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-48.5	173.7	-72.8	169.4	-174.6	176.3	0	111.4	D248 Q249 N250 I254 V255 E256 L321	D248-K252 WeakPolarHBondContact O-CG 3.42Å; D248-K252 PolarHBondContact O-N 2.75Å; D248-K252 VanDerWaalsContact O-N 3.14Å; Q249-K252 WeakPolarHBondContact O-CB 3.31Å; Q249-K252 PolarHBondContact O-N 2.66Å; N250-K252 VanDerWaalsContact C-N 3.34Å; N250-K252 PolarHBondContact O-N 2.78Å; K252-I254 PolarHBondContact O-N 2.99Å; K252-V255 PolarHBondContact O-N 3.48Å; K252-E256 WeakPolarHBondContact O-CB 3.24Å; K252-E256 PolarHBondContact O-N 3.07Å; K252-L321 HydrophobicContact CG-CD1 4.16Å; K252-L321 HydrophobicContact CG-CD2 3.7Å
253	D	98.6	Very high	98.1	Very high	32 Å²	32	48.8 Å²	48.8	17%	0.171	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-43.2	-179.3	-71.6	-14.6	0	0	0	112	K215 Q249 N250 E256 V257	K215-D253 HydrophobicContact CB-CB 4.04Å; K215-D253 HydrophobicContact CD-CB 4.15Å; K215-D253 HydrophobicContact CG-CB 4.25Å; K215-D253 IonicContact NZ-OD1 2.93Å; Q249-D253 PolarHBondContact NE2-OD1 2.89Å; Q249-D253 VanDerWaalsContact NE2-OD1 3.15Å; Q249-D253 PolarHBondContact O-N 3.27Å; N250-D253 PolarHBondContact O-N 3Å; D253-E256 PolarHBondContact O-N 2.85Å; D253-V257 WeakPolarHBondContact O-CG2 3.43Å; D253-V257 PolarHBondContact O-N 3.26Å
254	I	98.7	Very high	98.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-48.2	175.7	-72	165.6	0	0	0	110.5	Q213 L218 L240 I242 E246 N250 K252 V257 A258 M268	Q213-I254 HydrophobicContact CB-CD1 4.05Å; Q213-I254 HydrophobicContact CB-CG1 4.46Å; Q213-I254 WeakPolarHBondContact O-CG1 3.34Å; L218-I254 HydrophobicContact CD2-CB 4.21Å; L218-I254 HydrophobicContact CD2-CG1 4.03Å; L218-I254 HydrophobicContact CD2-CG2 4.12Å; L240-I254 HydrophobicContact CD2-CG2 3.98Å; I242-I254 HydrophobicContact CD1-CG2 4.37Å; I242-I254 HydrophobicContact CG2-CG2 3.97Å; E246-I254 HydrophobicContact CG-CD1 4.02Å; N250-I254 WeakPolarHBondContact O-CB 3.37Å; N250-I254 WeakPolarHBondContact O-CD1 3.39Å; N250-I254 WeakPolarHBondContact O-CG1 3.44Å; N250-I254 PolarHBondContact O-N 3.31Å; K252-I254 PolarHBondContact O-N 2.99Å; I254-V257 PolarHBondContact O-N 3.47Å; I254-A258 VanDerWaalsContact O-CB 3.29Å; I254-A258 WeakPolarHBondContact O-CB 3.07Å; I254-A258 PolarHBondContact O-N 3.28Å; I254-M268 HydrophobicContact CG2-CE 3.65Å
255	V	98.7	Very high	98.1	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-67.9	-38.7	-178.8	171.2	0	0	0	0	111.4	L251 K252 V257 A258 L259 M268 V318 L321 T322	L251-V255 WeakPolarHBondContact O-CB 3.34Å; L251-V255 VanDerWaalsContact O-CG2 3.32Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.95Å; K252-V255 PolarHBondContact O-N 3.48Å; V255-V257 PolarHBondContact O-N 3.13Å; V255-A258 PolarHBondContact O-N 2.78Å; V255-L259 HydrophobicContact CG1-CD1 3.68Å; V255-L259 HydrophobicContact CG1-CG 4.2Å; V255-L259 WeakPolarHBondContact O-CB 3.39Å; V255-L259 WeakPolarHBondContact O-CG 3.22Å; V255-L259 PolarHBondContact O-N 3.02Å; V255-M268 HydrophobicContact CG2-CE 4.43Å; V255-M268 HydrophobicContact CG2-SD 4.43Å; V255-V318 HydrophobicContact CG2-CG1 4.09Å; V255-L321 HydrophobicContact CB-CB 4.07Å; V255-L321 HydrophobicContact CB-CD1 4.5Å; V255-L321 HydrophobicContact CG1-CB 3.79Å; V255-L321 HydrophobicContact CG2-CB 3.96Å; V255-L321 HydrophobicContact CG2-CD1 4.13Å; V255-T322 HydrophobicContact CG1-CG2 3.88Å; V255-T322 HydrophobicContact CG2-CG2 4.27Å
256	E	98.6	Very high	98.2	Very high	93 Å²	93	54.6 Å²	54.6	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-49.6	174.2	-173.8	-170.9	137.4	0	0	110.7	K215 K252 D253 A258 L259 D260	K215-E256 WeakPolarHBondContact CE-OE1 3.33Å; K215-E256 IonicContact NZ-OE1 3.16Å; K215-E256 PolarHBondContact NZ-OE1 3.03Å; K215-E256 IonicContact NZ-OE2 3.94Å; K215-E256 PolarHBondContact NZ-OE2 3.13Å; K252-E256 WeakPolarHBondContact O-CB 3.24Å; K252-E256 PolarHBondContact O-N 3.07Å; D253-E256 PolarHBondContact O-N 2.85Å; E256-A258 PolarHBondContact O-N 3.08Å; E256-L259 PolarHBondContact O-N 3.39Å; E256-D260 WeakPolarHBondContact O-CB 3.36Å; E256-D260 PolarHBondContact O-N 2.85Å
257	V	98.7	Very high	98.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-39.6	177.9	175.6	0	0	0	0	111.4	K215 L218 R219 L222 D253 I254 V255 L259 T263	K215-V257 HydrophobicContact CG-CG2 3.76Å; L218-V257 HydrophobicContact CB-CG1 4.3Å; L218-V257 HydrophobicContact CD2-CB 4.21Å; L218-V257 HydrophobicContact CD2-CG1 4.16Å; L218-V257 HydrophobicContact CG-CB 4.5Å; L218-V257 HydrophobicContact CG-CG1 3.92Å; R219-V257 HydrophobicContact CB-CG1 3.98Å; R219-V257 HydrophobicContact CB-CG2 4.35Å; L222-V257 HydrophobicContact CD1-CG1 3.99Å; D253-V257 WeakPolarHBondContact O-CG2 3.43Å; D253-V257 PolarHBondContact O-N 3.26Å; I254-V257 PolarHBondContact O-N 3.47Å; V255-V257 PolarHBondContact O-N 3.13Å; V257-L259 PolarHBondContact O-N 2.92Å; V257-T263 WeakPolarHBondContact O-CB 3.48Å; V257-T263 PolarHBondContact O-OG1 3.32Å
258	A	98.6	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-24.1	177.6	0	0	0	0	0	113.8	I254 V255 E256 R264 I265 M268	I254-A258 VanDerWaalsContact O-CB 3.29Å; I254-A258 WeakPolarHBondContact O-CB 3.07Å; I254-A258 PolarHBondContact O-N 3.28Å; V255-A258 PolarHBondContact O-N 2.78Å; E256-A258 PolarHBondContact O-N 3.08Å; A258-R264 WeakPolarHBondContact O-CA 3.33Å; A258-I265 HydrophobicContact CB-CD1 3.56Å; A258-I265 HydrophobicContact CB-CG1 3.8Å; A258-I265 PolarHBondContact O-N 3.4Å; A258-I265 VanDerWaalsContact O-N 3.13Å; A258-M268 HydrophobicContact CB-SD 4.15Å
259	L	98.5	Very high	98.4	Very high	43 Å²	43	45 Å²	45	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-105.8	-14.6	-178.3	-65.5	-179.9	0	0	0	114.1	V255 E256 V257 A325 I326	V255-L259 HydrophobicContact CG1-CD1 3.68Å; V255-L259 HydrophobicContact CG1-CG 4.2Å; V255-L259 WeakPolarHBondContact O-CB 3.39Å; V255-L259 WeakPolarHBondContact O-CG 3.22Å; V255-L259 PolarHBondContact O-N 3.02Å; E256-L259 PolarHBondContact O-N 3.39Å; V257-L259 PolarHBondContact O-N 2.92Å; L259-A325 HydrophobicContact CD1-CB 4.45Å; L259-A325 HydrophobicContact CD2-CB 3.85Å; L259-I326 HydrophobicContact CD2-CD1 3.99Å; L259-I326 HydrophobicContact CD2-CG1 4.06Å; L259-I326 HydrophobicContact CD2-CG2 3.92Å
260	D	98.5	Very high	98.4	Very high	52 Å²	52	40.2 Å²	40.2	28%	0.278	20%	0.198	S	C	.	.	S	Bend	trans	-54.8	138.1	176.7	-178	-77.2	0	0	0	111	E256 K262 T263 R264	E256-D260 WeakPolarHBondContact O-CB 3.36Å; E256-D260 PolarHBondContact O-N 2.85Å; D260-K262 PolarHBondContact O-N 2.74Å; D260-K262 VanDerWaalsContact O-N 3.07Å; D260-K262 WeakPolarHBondContact OD1-CB 3.36Å; D260-K262 PolarHBondContact OD1-N 2.8Å; D260-T263 CarbonylContact O-C 3.53Å; D260-T263 PolarHBondContact O-N 2.84Å; D260-R264 WeakPolarHBondContact O-CA 3.35Å; D260-R264 VanDerWaalsContact O-CB 3.31Å; D260-R264 WeakPolarHBondContact O-CB 3.32Å; D260-R264 PolarHBondContact O-N 3.47Å
261	S	96.8	Very high	98.4	Very high	111 Å²	111	38 Å²	38	78%	0.776	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.7	-173.8	58.8	0	0	0	0	114.1
262	K	96.3	Very high	98.3	Very high	173 Å²	173	39 Å²	39	75%	0.752	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-23.9	178.1	-60.9	179.2	179.7	177.1	0	112.9	D260	D260-K262 PolarHBondContact O-N 2.74Å; D260-K262 VanDerWaalsContact O-N 3.07Å; D260-K262 WeakPolarHBondContact OD1-CB 3.36Å; D260-K262 PolarHBondContact OD1-N 2.8Å
263	T	98.3	Very high	98.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	19.6	-176	51.3	0	0	0	0	113.8	R219 L222 L226 V257 D260 I265	R219-T263 HydrophobicContact CG-CG2 4.01Å; R219-T263 WeakPolarHBondContact O-CG2 3.32Å; L222-T263 HydrophobicContact CB-CG2 4.12Å; L226-T263 WeakPolarHBondContact CD1-O 3.35Å; V257-T263 WeakPolarHBondContact O-CB 3.48Å; V257-T263 PolarHBondContact O-OG1 3.32Å; D260-T263 CarbonylContact O-C 3.53Å; D260-T263 PolarHBondContact O-N 2.84Å; T263-I265 PolarHBondContact O-N 2.93Å; T263-I265 VanDerWaalsContact O-N 3.13Å
264	R	98.4	Very high	98.3	Very high	125 Å²	125	33.7 Å²	33.7	47%	0.472	17%	0.169	S	C	.	.			trans	-62.9	114.2	-176.2	-169.7	171.8	-176.4	138.4	-1.4	111.6	A258 D260 A325	A258-R264 WeakPolarHBondContact O-CA 3.33Å; D260-R264 WeakPolarHBondContact O-CA 3.35Å; D260-R264 VanDerWaalsContact O-CB 3.31Å; D260-R264 WeakPolarHBondContact O-CB 3.32Å; D260-R264 PolarHBondContact O-N 3.47Å; R264-A325 PolarHBondContact NH2-O 2.97Å
265	I	98.4	Very high	98.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.189	C	C	.	.			trans	-87.3	166	173.3	59.2	178.6	0	0	0	111	L222 I238 L240 A258 T263 G267 M268 I326	L222-I265 HydrophobicContact CD1-CG2 3.83Å; L222-I265 HydrophobicContact CD2-CG2 3.93Å; L222-I265 HydrophobicContact CG-CG2 4.41Å; I238-I265 HydrophobicContact CG2-CG2 4.37Å; L240-I265 HydrophobicContact CB-CD1 3.36Å; L240-I265 HydrophobicContact CD2-CD1 4.27Å; L240-I265 HydrophobicContact CG-CD1 4.46Å; A258-I265 HydrophobicContact CB-CD1 3.56Å; A258-I265 HydrophobicContact CB-CG1 3.8Å; A258-I265 PolarHBondContact O-N 3.4Å; A258-I265 VanDerWaalsContact O-N 3.13Å; T263-I265 PolarHBondContact O-N 2.93Å; T263-I265 VanDerWaalsContact O-N 3.13Å; I265-G267 VanDerWaalsContact CD1-O 3.22Å; I265-G267 WeakPolarHBondContact CD1-O 3.43Å; I265-M268 HydrophobicContact CD1-CG 3.64Å; I265-I326 HydrophobicContact CD1-CD1 4.42Å; I265-I326 HydrophobicContact CG1-CD1 4.1Å; I265-I326 WeakPolarHBondContact O-CG2 3.49Å
266	D	98.7	Very high	98.1	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.273	19%	0.19	S	C	.	.	S	Bend	trans	-89.8	-16.7	-175.5	-57.7	-70	0	0	0	112.3	F78 R229 P237 I238 P327	F78-D266 WeakPolarHBondContact CD1-O 3.35Å; F78-D266 WeakPolarHBondContact CE1-O 3.23Å; R229-D266 IonicContact CZ-OD2 3.06Å; R229-D266 IonicContact NH1-OD1 2.73Å; R229-D266 IonicContact NH1-OD2 3.21Å; R229-D266 PolarHBondContact NH1-OD2 3.09Å; R229-D266 IonicContact NH2-OD2 3.92Å; P237-D266 WeakPolarHBondContact CA-OD2 3.48Å; P237-D266 HydrophobicContact CB-CB 3.91Å; I238-D266 PolarHBondContact N-OD2 2.72Å; I238-D266 PolarHBondContact O-N 3.4Å; D266-P327 WeakPolarHBondContact O-CD 3.36Å
267	G	98.8	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	177.4	177	0	0	0	0	0	114.3	I238 L239 L240 I265 P327	I238-G267 PolarHBondContact O-N 3.06Å; L239-G267 WeakPolarHBondContact CA-O 3.35Å; L240-G267 PolarHBondContact N-O 3Å; I265-G267 VanDerWaalsContact CD1-O 3.22Å; I265-G267 WeakPolarHBondContact CD1-O 3.43Å; G267-P327 VanDerWaalsContact CA-O 3.27Å; G267-P327 WeakPolarHBondContact CA-O 3.32Å
268	M	98.9	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.5	175	-60.9	173.2	74.3	0	0	112.2	L240 I242 I254 V255 A258 I265 I270 V318 T322 I326 P327 L328 I329	L240-M268 HydrophobicContact CB-CG 4.43Å; L240-M268 HydrophobicContact CD2-CE 4.42Å; L240-M268 CarbonylContact O-C 3.55Å; L240-M268 VanDerWaalsContact O-CA 3.25Å; L240-M268 WeakPolarHBondContact O-CA 3.16Å; I242-M268 HydrophobicContact CD1-CE 3.99Å; I242-M268 HydrophobicContact CG2-CE 4.15Å; I254-M268 HydrophobicContact CG2-CE 3.65Å; V255-M268 HydrophobicContact CG2-CE 4.43Å; V255-M268 HydrophobicContact CG2-SD 4.43Å; A258-M268 HydrophobicContact CB-SD 4.15Å; I265-M268 HydrophobicContact CD1-CG 3.64Å; M268-I270 HydrophobicContact CB-CD1 3.92Å; M268-I270 HydrophobicContact CE-CD1 4.08Å; M268-V318 HydrophobicContact CE-CG1 4.23Å; M268-V318 HydrophobicContact SD-CG1 4.03Å; M268-T322 HydrophobicContact SD-CG2 4.4Å; M268-I326 HydrophobicContact CG-CD1 3.8Å; M268-I326 HydrophobicContact SD-CD1 3.94Å; M268-P327 PolarHBondContact N-O 2.69Å; M268-L328 HydrophobicContact CB-CD2 3.75Å; M268-L328 HydrophobicContact CG-CD2 4.36Å; M268-L328 CarbonylContact O-C 3.6Å; M268-L328 WeakPolarHBondContact O-CA 3.39Å; M268-L328 HydrophobicContact SD-CD2 4.44Å; M268-I329 PolarHBondContact O-N 3.31Å
269	I	98.9	Very high	97.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.6	174.4	-63.8	157.9	0	0	0	109	E111 V198 L239 L240 K241 I242 I329 V331	E111-I269 VanDerWaalsContact OE2-CD1 3.29Å; E111-I269 WeakPolarHBondContact OE2-CD1 3.41Å; V198-I269 HydrophobicContact CB-CD1 4.09Å; V198-I269 HydrophobicContact CG1-CD1 3.52Å; V198-I269 HydrophobicContact CG2-CD1 3.4Å; V198-I269 VanDerWaalsContact CG2-CD1 3.4Å; L239-I269 HydrophobicContact CB-CD1 4.24Å; L239-I269 HydrophobicContact CB-CG1 4.48Å; L239-I269 HydrophobicContact CD2-CD1 4.06Å; L239-I269 HydrophobicContact CD2-CG1 4.02Å; L240-I269 PolarHBondContact O-N 3.24Å; K241-I269 HydrophobicContact CB-CB 4.02Å; K241-I269 HydrophobicContact CB-CD1 4.43Å; K241-I269 HydrophobicContact CD-CB 4.46Å; K241-I269 HydrophobicContact CD-CG2 4.1Å; K241-I269 HydrophobicContact CG-CB 3.94Å; K241-I269 HydrophobicContact CG-CG2 3.89Å; I242-I269 PolarHBondContact N-O 2.81Å; I269-I329 HydrophobicContact CB-CB 4.46Å; I269-I329 HydrophobicContact CG1-CB 3.89Å; I269-I329 HydrophobicContact CG1-CD1 3.99Å; I269-I329 HydrophobicContact CG1-CG1 4.13Å; I269-I329 HydrophobicContact CG2-CB 4.5Å; I269-V331 HydrophobicContact CG2-CG2 3.51Å
270	I	98.8	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	95.5	-176.3	-40.5	-58.1	0	0	0	108.1	I242 M268 C314 L315 V318 I329 G330 V331	I242-I270 HydrophobicContact CD1-CD1 3.59Å; I242-I270 HydrophobicContact CG1-CD1 3.49Å; I242-I270 VanDerWaalsContact CG1-CD1 3.49Å; M268-I270 HydrophobicContact CB-CD1 3.92Å; M268-I270 HydrophobicContact CE-CD1 4.08Å; I270-C314 HydrophobicContact CG2-CB 4.1Å; I270-C314 VanDerWaalsContact CG2-SG 3.53Å; I270-L315 HydrophobicContact CB-CB 4.28Å; I270-L315 HydrophobicContact CB-CD1 4.04Å; I270-L315 HydrophobicContact CG1-CD1 4.17Å; I270-L315 HydrophobicContact CG2-CB 4.04Å; I270-V318 HydrophobicContact CD1-CB 4.32Å; I270-V318 HydrophobicContact CD1-CG1 3.98Å; I270-V318 HydrophobicContact CD1-CG2 4.06Å; I270-V318 HydrophobicContact CG1-CB 4.29Å; I270-V318 HydrophobicContact CG1-CG1 4.13Å; I270-V318 HydrophobicContact CG1-CG2 4.42Å; I270-I329 PolarHBondContact N-O 3.22Å; I270-G330 CarbonylContact O-C 3.59Å; I270-G330 WeakPolarHBondContact O-CA 3.4Å; I270-V331 PolarHBondContact O-N 2.98Å
271	S	97.2	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.014	23%	0.227	C	C	.	.			cis	-147.8	-172.1	16.2	65.5	0	0	0	0	113.8	I242 P244 V331	I242-S271 CarbonylContact O-C 3.57Å; I242-S271 WeakPolarHBondContact O-CA 3.33Å; P244-S271 WeakPolarHBondContact CB-OG 3.45Å; S271-V331 PolarHBondContact N-O 3.43Å; S271-V331 VanDerWaalsContact N-O 3.16Å
272	N	98.3	Very high	97.3	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.128	21%	0.211	C	C	.	.			trans	-78.2	-171.9	158.9	-145.4	-46.9	0	0	0	111.1	N200 S202 S203 I242 P244	N200-N272 PolarHBondContact OD1-ND2 3.19Å; N200-N272 VanDerWaalsContact OD1-ND2 3.09Å; S202-N272 WeakPolarHBondContact OG-CB 3.12Å; S202-N272 PolarHBondContact OG-ND2 3.49Å; S203-N272 PolarHBondContact N-ND2 3.3Å; I242-N272 PolarHBondContact O-N 2.87Å; P244-N272 WeakPolarHBondContact CD-O 3.4Å; P244-N272 WeakPolarHBondContact CG-O 3.36Å
273	T	98.3	Very high	97.2	Very high	15 Å²	15	38.6 Å²	38.6	9%	0.092	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-68.8	151.5	173.1	53.5	0	0	0	0	112.9	R210 P244 G301 L302	R210-T273 PolarHBondContact NH2-O 3.41Å; P244-T273 WeakPolarHBondContact CD-O 3.5Å; T273-G301 VanDerWaalsContact OG1-CA 3.32Å; T273-G301 WeakPolarHBondContact OG1-CA 3.4Å; T273-L302 WeakPolarHBondContact CB-O 3.36Å
274	T	98	Very high	97.1	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	155.7	170.8	-177.6	0	0	0	0	110.1	D245 T276 G301 L302 L307 K310	D245-T274 PolarHBondContact OD1-OG1 3.39Å; D245-T274 WeakPolarHBondContact OD2-CA 3.47Å; T274-T276 PolarHBondContact O-N 2.9Å; T274-G301 CarbonylContact O-C 3.48Å; T274-G301 WeakPolarHBondContact O-CA 3.37Å; T274-L302 HydrophobicContact CG2-CB 3.76Å; T274-L302 HydrophobicContact CG2-CD2 4.07Å; T274-L302 HydrophobicContact CG2-CG 4.1Å; T274-L302 PolarHBondContact N-O 3.26Å; T274-L302 VanDerWaalsContact N-O 3.17Å; T274-L302 PolarHBondContact O-N 2.93Å; T274-L307 HydrophobicContact CG2-CD1 3.89Å; T274-K310 WeakPolarHBondContact OG1-CD 3.39Å; T274-K310 VanDerWaalsContact OG1-CE 3.31Å; T274-K310 WeakPolarHBondContact OG1-CE 3.46Å
275	L	96.8	Very high	96.8	Very high	77 Å²	77	35.6 Å²	35.6	40%	0.403	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.5	168.1	-70.7	168.1	0	0	0	110.4	P204 D245 V298	P204-L275 HydrophobicContact CB-CD2 3.64Å; D245-L275 PolarHBondContact OD2-N 2.65Å; L275-V298 HydrophobicContact CD2-CG1 4.09Å
276	T	97.1	Very high	96.6	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-81.2	127	171.8	-46.8	0	0	0	0	108.9	V138 T274 E280 A281 G300 L302	V138-T276 HydrophobicContact CG1-CG2 4.15Å; V138-T276 HydrophobicContact CG2-CG2 3.72Å; T274-T276 PolarHBondContact O-N 2.9Å; T276-E280 HydrophobicContact CG2-CB 3.76Å; T276-A281 HydrophobicContact CG2-CB 3.97Å; T276-G300 WeakPolarHBondContact CB-O 3.38Å; T276-G300 PolarHBondContact N-O 2.92Å; T276-G300 VanDerWaalsContact OG1-C 3.29Å; T276-G300 PolarHBondContact OG1-O 3.35Å; T276-L302 WeakPolarHBondContact OG1-CB 3.38Å; T276-L302 PolarHBondContact OG1-N 3.31Å
277	T	95.2	Very high	96.1	Very high	66 Å²	66	33.9 Å²	33.9	41%	0.405	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-70.6	167.4	171.6	61.8	0	0	0	0	111.5	E280 A281	T277-E280 WeakPolarHBondContact CB-OE2 3.3Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.25Å; T277-E280 PolarHBondContact N-OE2 3.22Å; T277-E280 WeakPolarHBondContact OG1-CB 3.4Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.02Å; T277-E280 PolarHBondContact OG1-OE2 2.97Å; T277-A281 VanDerWaalsContact O-CB 3.28Å; T277-A281 WeakPolarHBondContact O-CB 3.46Å; T277-A281 PolarHBondContact O-N 3.41Å
278	Y	93.5	Very high	95.4	Very high	120 Å²	120	39.3 Å²	39.3	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-44.7	177.3	174	-111.1	0	0	0	111.4	E280 A281 V282 A287 Y299	Y278-E280 PolarHBondContact O-N 2.76Å; Y278-A281 WeakPolarHBondContact O-CB 3.41Å; Y278-A281 PolarHBondContact O-N 3.3Å; Y278-A281 VanDerWaalsContact O-N 3.13Å; Y278-V282 HydrophobicContact CD1-CG2 4.39Å; Y278-V282 HydrophobicContact CD2-CG2 4.16Å; Y278-V282 HydrophobicContact CE1-CG2 3.95Å; Y278-V282 HydrophobicContact CE2-CG2 3.71Å; Y278-V282 WeakPolarHBondContact O-CG2 3.49Å; Y278-V282 PolarHBondContact O-N 2.9Å; Y278-A287 HydrophobicContact CE2-CB 4.35Å; Y278-Y299 AromaticContact CD2-CE1 3.96Å; Y278-Y299 HydrophobicContact CD2-CE1 3.96Å; Y278-Y299 HydrophobicContact CD2-CE2 4.06Å; Y278-Y299 AromaticContact CD2-CZ 3.51Å; Y278-Y299 VanDerWaalsContact CD2-OH 3.26Å; Y278-Y299 WeakPolarHBondContact CD2-OH 3.48Å; Y278-Y299 HydrophobicContact CG-CE2 4.46Å
279	E	95	Very high	94.5	Very high	133 Å²	133	41 Å²	41	62%	0.621	24%	0.24	S	C	*	.	H	α-helix	trans	-62.4	-44.6	-178.5	-63.2	69.3	-151.5	0	0	111	A281 V282 A283	E279-A281 VanDerWaalsContact C-N 3.34Å; E279-V282 PolarHBondContact O-N 3.39Å; E279-A283 WeakPolarHBondContact O-CB 3.5Å; E279-A283 PolarHBondContact O-N 3.02Å
280	E	96.7	Very high	93.2	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-38.8	174.3	-68.2	168	141.6	0	0	111.7	W131 T276 T277 Y278 A283 C284 L302	W131-E280 HydrophobicContact CH2-CB 4.16Å; W131-E280 HydrophobicContact CH2-CG 3.86Å; W131-E280 HydrophobicContact CZ3-CB 3.84Å; W131-E280 HydrophobicContact CZ3-CG 3.72Å; T276-E280 HydrophobicContact CG2-CB 3.76Å; T277-E280 WeakPolarHBondContact CB-OE2 3.3Å; T277-E280 WeakPolarHBondContact CG2-OE2 3.25Å; T277-E280 PolarHBondContact N-OE2 3.22Å; T277-E280 WeakPolarHBondContact OG1-CB 3.4Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.02Å; T277-E280 PolarHBondContact OG1-OE2 2.97Å; Y278-E280 PolarHBondContact O-N 2.76Å; E280-A283 PolarHBondContact O-N 3.27Å; E280-C284 WeakPolarHBondContact O-CB 3.29Å; E280-C284 PolarHBondContact O-N 2.87Å; E280-L302 VanDerWaalsContact OE1-CD2 3.31Å; E280-L302 WeakPolarHBondContact OE1-CD2 3.41Å
281	A	96.1	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-39.3	178.1	0	0	0	0	0	111.8	T276 T277 Y278 E279 G285 A286 A287 Y299	T276-A281 HydrophobicContact CG2-CB 3.97Å; T277-A281 VanDerWaalsContact O-CB 3.28Å; T277-A281 WeakPolarHBondContact O-CB 3.46Å; T277-A281 PolarHBondContact O-N 3.41Å; Y278-A281 WeakPolarHBondContact O-CB 3.41Å; Y278-A281 PolarHBondContact O-N 3.3Å; Y278-A281 VanDerWaalsContact O-N 3.13Å; E279-A281 VanDerWaalsContact C-N 3.34Å; A281-G285 PolarHBondContact O-N 3.25Å; A281-A286 HydrophobicContact CB-CB 4.26Å; A281-A286 WeakPolarHBondContact O-CA 3.35Å; A281-A286 PolarHBondContact O-N 2.8Å; A281-A287 HydrophobicContact CB-CB 3.87Å; A281-A287 PolarHBondContact O-N 3.48Å; A281-Y299 HydrophobicContact CB-CD1 3.85Å; A281-Y299 HydrophobicContact CB-CD2 4.23Å; A281-Y299 HydrophobicContact CB-CG 3.58Å
282	V	95.3	Very high	90.6	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.436	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-48.5	172.9	172.1	0	0	0	0	110.2	Y278 E279 C284 G285 A287	Y278-V282 HydrophobicContact CD1-CG2 4.39Å; Y278-V282 HydrophobicContact CD2-CG2 4.16Å; Y278-V282 HydrophobicContact CE1-CG2 3.95Å; Y278-V282 HydrophobicContact CE2-CG2 3.71Å; Y278-V282 WeakPolarHBondContact O-CG2 3.49Å; Y278-V282 PolarHBondContact O-N 2.9Å; E279-V282 PolarHBondContact O-N 3.39Å; V282-C284 VanDerWaalsContact C-N 3.28Å; V282-C284 PolarHBondContact O-N 3.24Å; V282-G285 PolarHBondContact O-N 2.75Å; V282-A287 HydrophobicContact CG2-CB 3.85Å
283	A	95.6	Very high	88.9	Confident	57 Å²	57	59.8 Å²	59.8	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-61.6	-33.6	-179.9	0	0	0	0	0	113.4	W131 E279 E280 G285	W131-A283 HydrophobicContact CH2-CB 4.31Å; W131-A283 HydrophobicContact CZ2-CB 3.59Å; E279-A283 WeakPolarHBondContact O-CB 3.5Å; E279-A283 PolarHBondContact O-N 3.02Å; E280-A283 PolarHBondContact O-N 3.27Å; A283-G285 VanDerWaalsContact C-N 3.33Å
284	C	94.3	Very high	87.5	Confident	13 Å²	13	66.9 Å²	66.9	9%	0.088	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7	176.9	-175.8	0	0	0	0	113.3	F129 W131 V138 E280 V282 A286	F129-C284 VanDerWaalsContact CB-SG 3.52Å; W131-C284 HydrophobicContact CB-CB 3.96Å; W131-C284 HydrophobicContact CD2-CB 4.32Å; W131-C284 HydrophobicContact CG-CB 4.07Å; V138-C284 HydrophobicContact CG2-CB 4.12Å; E280-C284 WeakPolarHBondContact O-CB 3.29Å; E280-C284 PolarHBondContact O-N 2.87Å; V282-C284 VanDerWaalsContact C-N 3.28Å; V282-C284 PolarHBondContact O-N 3.24Å; C284-A286 PolarHBondContact O-N 2.99Å
285	G	93.3	Very high	85.8	Confident	49 Å²	49	75 Å²	75	51%	0.505	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	19	-172.3	0	0	0	0	0	113.9	F129 A281 V282 A283	F129-G285 WeakPolarHBondContact CD1-O 3.21Å; F129-G285 WeakPolarHBondContact CE1-O 3.22Å; A281-G285 PolarHBondContact O-N 3.25Å; V282-G285 PolarHBondContact O-N 2.75Å; A283-G285 VanDerWaalsContact C-N 3.33Å
286	A	93.3	Very high	84.6	Confident	1 Å²	1	79 Å²	79	1%	0.008	46%	0.455	C	S	.	.			trans	-83.5	-21.9	175.5	0	0	0	0	0	112.8	F129 V138 R140 A281 C284	F129-A286 HydrophobicContact CB-CB 4.11Å; F129-A286 HydrophobicContact CD1-CB 4.17Å; F129-A286 HydrophobicContact CD2-CB 3.57Å; F129-A286 HydrophobicContact CE2-CB 4Å; F129-A286 HydrophobicContact CG-CB 3.68Å; F129-A286 HydrophobicContact CZ-CB 4.47Å; V138-A286 HydrophobicContact CB-CB 4.35Å; V138-A286 HydrophobicContact CG1-CB 3.95Å; R140-A286 VanDerWaalsContact CZ-O 3.29Å; R140-A286 PolarHBondContact NH1-O 2.65Å; R140-A286 PolarHBondContact NH2-O 2.8Å; A281-A286 HydrophobicContact CB-CB 4.26Å; A281-A286 WeakPolarHBondContact O-CA 3.35Å; A281-A286 PolarHBondContact O-N 2.8Å; C284-A286 PolarHBondContact O-N 2.99Å
287	A	89.7	Confident	84	Confident	16 Å²	16	80 Å²	80	13%	0.132	46%	0.461	C	S	.	.			trans	-104.6	151.2	173.2	0	0	0	0	0	111.3	Y278 A281 V282 Y299	Y278-A287 HydrophobicContact CE2-CB 4.35Å; A281-A287 HydrophobicContact CB-CB 3.87Å; A281-A287 PolarHBondContact O-N 3.48Å; V282-A287 HydrophobicContact CG2-CB 3.85Å; A287-Y299 HydrophobicContact CB-CD1 4.2Å; A287-Y299 HydrophobicContact CB-CE1 4.26Å
288	P	83.9	Confident	83.7	Confident	115 Å²	115	80 Å²	80	75%	0.747	46%	0.461	S	S	*	.	S	Bend	cis	-74.2	160.3	-1.2	31.7	-35.5	0	0	0	112.9	P290	P288-P290 WeakPolarHBondContact O-CD 3.48Å
289	I	78.6	Confident	83.7	Confident	36 Å²	36	76.3 Å²	76.3	19%	0.185	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-88.1	118.9	170.3	-52.5	-171.6	0	0	0	108.1	G291 N292 V297 V298 Y299	I289-G291 PolarHBondContact O-N 3.17Å; I289-N292 HydrophobicContact CB-CB 4.12Å; I289-N292 HydrophobicContact CG2-CB 4.13Å; I289-N292 PolarHBondContact O-N 3.28Å; I289-V297 HydrophobicContact CD1-CG1 3.27Å; I289-V297 HydrophobicContact CG1-CG1 4.13Å; I289-V298 WeakPolarHBondContact CD1-O 3.24Å; I289-Y299 HydrophobicContact CD1-CD1 3.92Å; I289-Y299 HydrophobicContact CD1-CE1 4.41Å; I289-Y299 HydrophobicContact CG1-CD1 3.97Å; I289-Y299 HydrophobicContact CG1-CE1 4.32Å
290	P	71.9	Confident	83.7	Confident	108 Å²	108	70 Å²	70	70%	0.701	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	131.8	178.4	-25.8	34.6	0	0	0	112	P288 N292	P288-P290 WeakPolarHBondContact O-CD 3.48Å; P290-N292 VanDerWaalsContact C-N 3.32Å; P290-N292 PolarHBondContact O-N 3.21Å
291	G	71.8	Confident	83.8	Confident	87 Å²	87	67.8 Å²	67.8	90%	0.897	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	10.9	174	0	0	0	0	0	116.2	I289	I289-G291 PolarHBondContact O-N 3.17Å
292	N	70.5	Confident	83.9	Confident	56 Å²	56	67.9 Å²	67.9	30%	0.299	41%	0.407	S	S	.	.			trans	-112.6	103	-179.6	-159.8	3.1	0	0	0	112.4	I289 P290 K294	I289-N292 HydrophobicContact CB-CB 4.12Å; I289-N292 HydrophobicContact CG2-CB 4.13Å; I289-N292 PolarHBondContact O-N 3.28Å; P290-N292 VanDerWaalsContact C-N 3.32Å; P290-N292 PolarHBondContact O-N 3.21Å; N292-K294 WeakPolarHBondContact OD1-CB 3.39Å; N292-K294 WeakPolarHBondContact OD1-CG 3.1Å; N292-K294 PolarHBondContact OD1-N 3.41Å
293	N	63.1	Low	84.1	Confident	169 Å²	169	64.8 Å²	64.8	90%	0.904	39%	0.389	S	S	*	.			trans	-102.9	13.6	175.4	-65.9	-6.7	0	0	0	112.8
294	K	67.1	Low	84.2	Confident	163 Å²	163	62.2 Å²	62.2	71%	0.709	37%	0.368	S	S	*	.			trans	-84.4	147.7	-172	-60.7	-174.4	179.6	-175.1	0	111.6	N292 V297	N292-K294 WeakPolarHBondContact OD1-CB 3.39Å; N292-K294 WeakPolarHBondContact OD1-CG 3.1Å; N292-K294 PolarHBondContact OD1-N 3.41Å; K294-V297 WeakPolarHBondContact O-CG2 3.36Å
295	Q	62.8	Low	84.4	Confident	181 Å²	181	65.7 Å²	65.7	85%	0.846	38%	0.379	S	S	*	.	S	Bend	trans	-65.4	150.6	159.2	-68.9	176.6	-7.7	0	0	109.3
296	N	72.7	Confident	84.7	Confident	161 Å²	161	65.9 Å²	65.9	86%	0.861	37%	0.371	S	S	*	.	S	Bend	trans	68.6	46.2	-177.4	-52.4	-35.2	0	0	0	115.3
297	V	84.8	Confident	84.9	Confident	31 Å²	31	66 Å²	66	19%	0.188	37%	0.372	C	S	.	.			trans	-70.3	129.2	174.3	-178.4	0	0	0	0	111.3	I289 K294 Y299	I289-V297 HydrophobicContact CD1-CG1 3.27Å; I289-V297 HydrophobicContact CG1-CG1 4.13Å; K294-V297 WeakPolarHBondContact O-CG2 3.36Å; V297-Y299 HydrophobicContact CB-CE1 4.18Å; V297-Y299 HydrophobicContact CB-CE2 4.25Å; V297-Y299 HydrophobicContact CG1-CD1 3.93Å; V297-Y299 HydrophobicContact CG1-CE1 3.63Å; V297-Y299 HydrophobicContact CG1-CE2 4.35Å; V297-Y299 HydrophobicContact CG1-CG 4.39Å
298	V	87.1	Confident	85.3	Confident	65 Å²	65	66.7 Å²	66.7	39%	0.394	37%	0.372	S	S	.	.			trans	-90.7	111.1	165.5	-179.6	0	0	0	0	109.1	P204 L275 I289 G300	P204-V298 HydrophobicContact CB-CG1 4.33Å; L275-V298 HydrophobicContact CD2-CG1 4.09Å; I289-V298 WeakPolarHBondContact CD1-O 3.24Å; V298-G300 VanDerWaalsContact C-N 3.34Å
299	Y	94.1	Very high	86	Confident	44 Å²	44	69 Å²	69	17%	0.173	37%	0.373	C	S	.	.			trans	-76.3	-22.9	-179.7	-62.3	-73.9	0	0	0	113.9	R140 Y278 A281 A287 I289 V297	R140-Y299 PolarHBondContact NH1-O 2.81Å; Y278-Y299 AromaticContact CD2-CE1 3.96Å; Y278-Y299 HydrophobicContact CD2-CE1 3.96Å; Y278-Y299 HydrophobicContact CD2-CE2 4.06Å; Y278-Y299 AromaticContact CD2-CZ 3.51Å; Y278-Y299 VanDerWaalsContact CD2-OH 3.26Å; Y278-Y299 WeakPolarHBondContact CD2-OH 3.48Å; Y278-Y299 HydrophobicContact CG-CE2 4.46Å; A281-Y299 HydrophobicContact CB-CD1 3.85Å; A281-Y299 HydrophobicContact CB-CD2 4.23Å; A281-Y299 HydrophobicContact CB-CG 3.58Å; A287-Y299 HydrophobicContact CB-CD1 4.2Å; A287-Y299 HydrophobicContact CB-CE1 4.26Å; I289-Y299 HydrophobicContact CD1-CD1 3.92Å; I289-Y299 HydrophobicContact CD1-CE1 4.41Å; I289-Y299 HydrophobicContact CG1-CD1 3.97Å; I289-Y299 HydrophobicContact CG1-CE1 4.32Å; V297-Y299 HydrophobicContact CB-CE1 4.18Å; V297-Y299 HydrophobicContact CB-CE2 4.25Å; V297-Y299 HydrophobicContact CG1-CD1 3.93Å; V297-Y299 HydrophobicContact CG1-CE1 3.63Å; V297-Y299 HydrophobicContact CG1-CE2 4.35Å; V297-Y299 HydrophobicContact CG1-CG 4.39Å
300	G	95.8	Very high	87	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.384	C	S	.	.			trans	144.5	177.2	177.3	0	0	0	0	0	111.8	N139 N205 T276 V298	N139-G300 CarbonylContact O-C 3.54Å; N139-G300 WeakPolarHBondContact O-CA 3.36Å; N205-G300 WeakPolarHBondContact OD1-CA 3.36Å; T276-G300 WeakPolarHBondContact CB-O 3.38Å; T276-G300 PolarHBondContact N-O 2.92Å; T276-G300 VanDerWaalsContact OG1-C 3.29Å; T276-G300 PolarHBondContact OG1-O 3.35Å; V298-G300 VanDerWaalsContact C-N 3.34Å
301	G	97.9	Very high	88.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.4	167.7	0	0	0	0	0	111.3	V138 N139 N205 T273 T274	V138-G301 WeakPolarHBondContact CA-O 3.27Å; N139-G301 PolarHBondContact N-O 2.93Å; N139-G301 PolarHBondContact ND2-O 3.06Å; N139-G301 PolarHBondContact O-N 2.83Å; N205-G301 PolarHBondContact OD1-N 2.81Å; T273-G301 VanDerWaalsContact OG1-CA 3.32Å; T273-G301 WeakPolarHBondContact OG1-CA 3.4Å; T274-G301 CarbonylContact O-C 3.48Å; T274-G301 WeakPolarHBondContact O-CA 3.37Å
302	L	98.6	Very high	89.6	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	174.8	174.5	64.8	0	0	0	110.2	W131 A136 V138 T273 T274 T276 E280 P306	W131-L302 HydrophobicContact CE3-CD1 4.31Å; A136-L302 HydrophobicContact CB-CD1 3.79Å; V138-L302 HydrophobicContact CG2-CB 4.47Å; V138-L302 HydrophobicContact CG2-CD1 3.84Å; T273-L302 WeakPolarHBondContact CB-O 3.36Å; T274-L302 HydrophobicContact CG2-CB 3.76Å; T274-L302 HydrophobicContact CG2-CD2 4.07Å; T274-L302 HydrophobicContact CG2-CG 4.1Å; T274-L302 PolarHBondContact N-O 3.26Å; T274-L302 VanDerWaalsContact N-O 3.17Å; T274-L302 PolarHBondContact O-N 2.93Å; T276-L302 WeakPolarHBondContact OG1-CB 3.38Å; T276-L302 PolarHBondContact OG1-N 3.31Å; E280-L302 VanDerWaalsContact OE1-CD2 3.31Å; E280-L302 WeakPolarHBondContact OE1-CD2 3.41Å; L302-P306 HydrophobicContact CD2-CB 4.03Å
303	S	98.6	Very high	90.9	Very high	8 Å²	8	63.6 Å²	63.6	6%	0.056	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	169.8	173.1	74.9	0	0	0	0	110.7	A136 V137 T355	A136-S303 CarbonylContact C-O 3.55Å; A136-S303 WeakPolarHBondContact CA-O 3.33Å; A136-S303 WeakPolarHBondContact CB-O 3.44Å; V137-S303 PolarHBondContact N-O 3.47Å; V137-S303 PolarHBondContact O-N 3.45Å; V137-S303 PolarHBondContact O-OG 2.93Å; S303-T355 WeakPolarHBondContact CB-OG1 3.33Å; S303-T355 PolarHBondContact OG-OG1 2.72Å
304	G	98.5	Very high	92.6	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.1	-161.4	-179.4	0	0	0	0	0	112.9	E135 P306 L307 G333 T355	E135-G304 WeakPolarHBondContact O-CA 3.38Å; G304-P306 VanDerWaalsContact C-CD 3.42Å; G304-P306 VanDerWaalsContact C-N 3.33Å; G304-L307 WeakPolarHBondContact O-CB 3.49Å; G304-L307 PolarHBondContact O-N 3.28Å; G304-G333 WeakPolarHBondContact O-CA 3.49Å; G304-T355 WeakPolarHBondContact CA-OG1 3.35Å; G304-T355 PolarHBondContact N-OG1 2.97Å; G304-T355 VanDerWaalsContact N-OG1 3.09Å
305	R	98.5	Very high	94.1	Very high	86 Å²	86	48 Å²	48	33%	0.325	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-52.1	-42.1	-172.9	-63.9	-60.6	-58.6	168.8	-10.3	114	E135 L307 F308 G333 S335 D339	E135-R305 HydrophobicContact CB-CG 3.91Å; E135-R305 PolarHBondContact O-N 3.4Å; R305-L307 PolarHBondContact O-N 2.77Å; R305-L307 VanDerWaalsContact O-N 3.09Å; R305-F308 WeakPolarHBondContact O-CB 3.47Å; R305-F308 PolarHBondContact O-N 3.01Å; R305-G333 PolarHBondContact NH1-O 3.13Å; R305-S335 PolarHBondContact NH1-OG 2.77Å; R305-D339 IonicContact CZ-OD1 3.25Å; R305-D339 IonicContact CZ-OD2 2.94Å; R305-D339 IonicContact NH1-OD1 2.66Å; R305-D339 PolarHBondContact NH1-OD1 2.99Å; R305-D339 IonicContact NH1-OD2 2.85Å; R305-D339 PolarHBondContact NH1-OD2 2.93Å; R305-D339 IonicContact NH2-OD1 3.66Å; R305-D339 PolarHBondContact NH2-OD1 3.46Å
306	P	98.4	Very high	95.8	Very high	53 Å²	53	45.5 Å²	45.5	34%	0.344	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-59.5	-23.3	178.3	-26.2	36.3	0	0	0	114.8	K134 A136 L302 G304	K134-P306 HydrophobicContact CB-CG 4.07Å; A136-P306 HydrophobicContact CB-CG 4.1Å; L302-P306 HydrophobicContact CD2-CB 4.03Å; G304-P306 VanDerWaalsContact C-CD 3.42Å; G304-P306 VanDerWaalsContact C-N 3.33Å
307	L	98.6	Very high	97.1	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-82.1	-16.3	179.2	178.3	59.4	0	0	0	112.9	P244 T274 G304 R305 E309 S311	P244-L307 HydrophobicContact CB-CD1 4.24Å; P244-L307 HydrophobicContact CG-CD1 3.9Å; T274-L307 HydrophobicContact CG2-CD1 3.89Å; G304-L307 WeakPolarHBondContact O-CB 3.49Å; G304-L307 PolarHBondContact O-N 3.28Å; R305-L307 PolarHBondContact O-N 2.77Å; R305-L307 VanDerWaalsContact O-N 3.09Å; L307-E309 PolarHBondContact O-N 2.98Å; L307-S311 WeakPolarHBondContact O-CB 3.47Å; L307-S311 PolarHBondContact O-N 3.06Å; L307-S311 PolarHBondContact O-OG 2.99Å
308	F	98.8	Very high	97.7	Very high	30 Å²	30	39.6 Å²	39.6	13%	0.132	19%	0.185	C	C	.	.	H	α-helix	trans	-57.1	-55	-167.3	-179.5	-104.5	0	0	0	112.7	R305 S311 T312 G332 D339 K343	R305-F308 WeakPolarHBondContact O-CB 3.47Å; R305-F308 PolarHBondContact O-N 3.01Å; F308-S311 PolarHBondContact O-OG 3.49Å; F308-S311 VanDerWaalsContact O-OG 3.08Å; F308-T312 WeakPolarHBondContact O-CB 3.45Å; F308-T312 PolarHBondContact O-N 3.03Å; F308-T312 PolarHBondContact O-OG1 3.48Å; F308-G332 WeakPolarHBondContact CD2-O 3.28Å; F308-D339 HydrophobicContact CD2-CB 4.3Å; F308-D339 HydrophobicContact CE2-CB 3.55Å; F308-D339 HydrophobicContact CZ-CB 3.97Å; F308-K343 HydrophobicContact CE2-CG 4.43Å
309	E	98.6	Very high	98.3	Very high	163 Å²	163	38 Å²	38	76%	0.762	18%	0.177	S	C	*	.	H	α-helix	trans	-62.5	-52.4	-176.6	-67.3	177.9	-179.8	0	0	111.6	L307 S311 T312 D313	L307-E309 PolarHBondContact O-N 2.98Å; E309-S311 PolarHBondContact O-N 2.83Å; E309-T312 PolarHBondContact O-N 3.46Å; E309-T312 VanDerWaalsContact O-N 3.09Å; E309-D313 PolarHBondContact O-N 2.93Å
310	K	98.6	Very high	98.5	Very high	97 Å²	97	39.1 Å²	39.1	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-56.3	-47.5	179.6	-176.5	-170.6	-71.3	-76.5	0	112.2	P244 T274 T312 D313 C314	P244-K310 HydrophobicContact CB-CD 4.15Å; P244-K310 HydrophobicContact CB-CG 4.21Å; P244-K310 HydrophobicContact CG-CD 4.45Å; T274-K310 WeakPolarHBondContact OG1-CD 3.39Å; T274-K310 VanDerWaalsContact OG1-CE 3.31Å; T274-K310 WeakPolarHBondContact OG1-CE 3.46Å; K310-T312 VanDerWaalsContact C-N 3.32Å; K310-T312 PolarHBondContact O-N 3.21Å; K310-D313 PolarHBondContact O-N 2.91Å; K310-C314 WeakPolarHBondContact O-CB 3.41Å; K310-C314 PolarHBondContact O-N 2.87Å
311	S	98.7	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-28.5	179.4	58.1	0	0	0	0	112.7	L307 F308 E309 L315 V331 G332 K343	L307-S311 WeakPolarHBondContact O-CB 3.47Å; L307-S311 PolarHBondContact O-N 3.06Å; L307-S311 PolarHBondContact O-OG 2.99Å; F308-S311 PolarHBondContact O-OG 3.49Å; F308-S311 VanDerWaalsContact O-OG 3.08Å; E309-S311 PolarHBondContact O-N 2.83Å; S311-L315 WeakPolarHBondContact O-CB 3.46Å; S311-L315 PolarHBondContact O-N 3.05Å; S311-L315 VanDerWaalsContact O-N 3.08Å; S311-V331 WeakPolarHBondContact CB-O 3.45Å; S311-G332 PolarHBondContact OG-O 3.43Å; S311-K343 PolarHBondContact O-NZ 2.98Å; S311-K343 PolarHBondContact OG-NZ 2.89Å
312	T	98.9	Very high	98.7	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-75.1	-37.8	175.9	-58.8	0	0	0	0	111.4	F308 E309 K310 L315 R316 K343 A346	F308-T312 WeakPolarHBondContact O-CB 3.45Å; F308-T312 PolarHBondContact O-N 3.03Å; F308-T312 PolarHBondContact O-OG1 3.48Å; E309-T312 PolarHBondContact O-N 3.46Å; E309-T312 VanDerWaalsContact O-N 3.09Å; K310-T312 VanDerWaalsContact C-N 3.32Å; K310-T312 PolarHBondContact O-N 3.21Å; T312-L315 PolarHBondContact O-N 3.35Å; T312-R316 PolarHBondContact O-N 3.16Å; T312-K343 HydrophobicContact CG2-CD 4.46Å; T312-K343 WeakPolarHBondContact OG1-CD 3.17Å; T312-K343 WeakPolarHBondContact OG1-CE 3.38Å; T312-K343 PolarHBondContact OG1-NZ 2.73Å; T312-A346 HydrophobicContact CG2-CB 4.02Å
313	D	98.7	Very high	98.7	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.353	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-48.2	172.9	-175.8	58.7	0	0	0	111.7	E309 K310 L315 R316 K317	E309-D313 PolarHBondContact O-N 2.93Å; K310-D313 PolarHBondContact O-N 2.91Å; D313-L315 VanDerWaalsContact C-N 3.3Å; D313-L315 PolarHBondContact O-N 3.38Å; D313-R316 PolarHBondContact O-N 3Å; D313-R316 VanDerWaalsContact O-N 3.13Å; D313-R316 IonicContact OD1-NH1 2.76Å; D313-K317 WeakPolarHBondContact O-CG 3.45Å; D313-K317 PolarHBondContact O-N 2.97Å; D313-K317 WeakPolarHBondContact OD2-CE 3.37Å; D313-K317 IonicContact OD2-NZ 3.28Å; D313-K317 PolarHBondContact OD2-NZ 2.66Å; D313-K317 VanDerWaalsContact OD2-NZ 3.08Å
314	C	98.8	Very high	98.5	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-55.6	-45.3	174.2	-178.1	0	0	0	0	111.5	I270 K310 R316 K317 V318	I270-C314 HydrophobicContact CG2-CB 4.1Å; I270-C314 VanDerWaalsContact CG2-SG 3.53Å; K310-C314 WeakPolarHBondContact O-CB 3.41Å; K310-C314 PolarHBondContact O-N 2.87Å; C314-R316 PolarHBondContact O-N 3.2Å; C314-K317 PolarHBondContact O-N 3.27Å; C314-V318 WeakPolarHBondContact O-CG2 3.32Å; C314-V318 PolarHBondContact O-N 3.4Å
315	L	98.9	Very high	98.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-45.8	175.6	173.5	64.2	0	0	0	112.5	I270 S311 T312 D313 K317 V318 S319 L328 K343 A346 A348	I270-L315 HydrophobicContact CB-CB 4.28Å; I270-L315 HydrophobicContact CB-CD1 4.04Å; I270-L315 HydrophobicContact CG1-CD1 4.17Å; I270-L315 HydrophobicContact CG2-CB 4.04Å; S311-L315 WeakPolarHBondContact O-CB 3.46Å; S311-L315 PolarHBondContact O-N 3.05Å; S311-L315 VanDerWaalsContact O-N 3.08Å; T312-L315 PolarHBondContact O-N 3.35Å; D313-L315 VanDerWaalsContact C-N 3.3Å; D313-L315 PolarHBondContact O-N 3.38Å; L315-K317 PolarHBondContact O-N 3.17Å; L315-V318 PolarHBondContact O-N 2.71Å; L315-S319 WeakPolarHBondContact O-CB 3.35Å; L315-S319 PolarHBondContact O-N 3.29Å; L315-L328 HydrophobicContact CD1-CB 4.06Å; L315-L328 HydrophobicContact CD1-CD1 3.96Å; L315-K343 HydrophobicContact CD2-CB 4.06Å; L315-K343 HydrophobicContact CD2-CD 3.73Å; L315-K343 WeakPolarHBondContact CD2-O 3.02Å; L315-A346 HydrophobicContact CD2-CB 3.89Å; L315-A346 HydrophobicContact CG-CB 4.16Å; L315-A348 HydrophobicContact CD1-CB 4.2Å; L315-A348 HydrophobicContact CD2-CB 3.87Å
316	R	98.8	Very high	98.5	Very high	127 Å²	127	52 Å²	52	48%	0.479	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-43.4	178.8	-173.3	-177.5	-62.7	100.2	1.2	111.7	T312 D313 C314 S319 A320 A346	T312-R316 PolarHBondContact O-N 3.16Å; D313-R316 PolarHBondContact O-N 3Å; D313-R316 VanDerWaalsContact O-N 3.13Å; D313-R316 IonicContact OD1-NH1 2.76Å; C314-R316 PolarHBondContact O-N 3.2Å; R316-S319 PolarHBondContact O-N 3.14Å; R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 2.96Å; R316-A346 HydrophobicContact CB-CB 4.48Å
317	K	98.8	Very high	98.5	Very high	69 Å²	69	51.2 Å²	51.2	30%	0.3	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-48.6	176.5	-71.6	174.1	175	179.7	0	111.2	D248 L251 D313 C314 L315 S319 A320 L321	D248-K317 WeakPolarHBondContact OD1-CD 3.34Å; D248-K317 WeakPolarHBondContact OD1-CE 3.41Å; D248-K317 IonicContact OD1-NZ 4Å; D248-K317 PolarHBondContact OD1-NZ 3.46Å; D248-K317 IonicContact OD2-NZ 2.76Å; L251-K317 HydrophobicContact CD1-CB 4.1Å; L251-K317 HydrophobicContact CD1-CD 4.08Å; D313-K317 WeakPolarHBondContact O-CG 3.45Å; D313-K317 PolarHBondContact O-N 2.97Å; D313-K317 WeakPolarHBondContact OD2-CE 3.37Å; D313-K317 IonicContact OD2-NZ 3.28Å; D313-K317 PolarHBondContact OD2-NZ 2.66Å; D313-K317 VanDerWaalsContact OD2-NZ 3.08Å; C314-K317 PolarHBondContact O-N 3.27Å; L315-K317 PolarHBondContact O-N 3.17Å; K317-S319 PolarHBondContact O-N 3.48Å; K317-A320 PolarHBondContact O-N 2.89Å; K317-L321 VanDerWaalsContact O-CG 3.28Å; K317-L321 WeakPolarHBondContact O-CG 3.34Å; K317-L321 PolarHBondContact O-N 3.41Å
318	V	98.8	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-44.2	176.9	173.4	0	0	0	0	110.9	I242 L251 V255 M268 I270 C314 L315 A320 L321 T322 L328	I242-V318 HydrophobicContact CD1-CG2 4.07Å; L251-V318 HydrophobicContact CD2-CG2 4.01Å; V255-V318 HydrophobicContact CG2-CG1 4.09Å; M268-V318 HydrophobicContact CE-CG1 4.23Å; M268-V318 HydrophobicContact SD-CG1 4.03Å; I270-V318 HydrophobicContact CD1-CB 4.32Å; I270-V318 HydrophobicContact CD1-CG1 3.98Å; I270-V318 HydrophobicContact CD1-CG2 4.06Å; I270-V318 HydrophobicContact CG1-CB 4.29Å; I270-V318 HydrophobicContact CG1-CG1 4.13Å; I270-V318 HydrophobicContact CG1-CG2 4.42Å; C314-V318 WeakPolarHBondContact O-CG2 3.32Å; C314-V318 PolarHBondContact O-N 3.4Å; L315-V318 PolarHBondContact O-N 2.71Å; V318-A320 VanDerWaalsContact C-N 3.34Å; V318-A320 PolarHBondContact O-N 2.86Å; V318-L321 PolarHBondContact O-N 3.05Å; V318-L321 VanDerWaalsContact O-N 3.13Å; V318-T322 HydrophobicContact CG1-CG2 4Å; V318-T322 WeakPolarHBondContact O-CG2 3.41Å; V318-T322 PolarHBondContact O-N 2.85Å; V318-T322 PolarHBondContact O-OG1 3.45Å; V318-L328 HydrophobicContact CG1-CD1 4.06Å; V318-L328 HydrophobicContact CG1-CD2 3.97Å
319	S	98.8	Very high	98.5	Very high	30 Å²	30	49.7 Å²	49.7	21%	0.21	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-44.1	176.5	-177.4	0	0	0	0	112.6	L315 R316 K317 L321 T322 K323 A346 G347	L315-S319 WeakPolarHBondContact O-CB 3.35Å; L315-S319 PolarHBondContact O-N 3.29Å; R316-S319 PolarHBondContact O-N 3.14Å; K317-S319 PolarHBondContact O-N 3.48Å; S319-L321 VanDerWaalsContact C-N 3.32Å; S319-L321 PolarHBondContact O-N 2.63Å; S319-T322 PolarHBondContact O-N 2.89Å; S319-T322 PolarHBondContact O-OG1 3.25Å; S319-K323 PolarHBondContact O-N 3.48Å; S319-A346 WeakPolarHBondContact CB-O 3.23Å; S319-G347 WeakPolarHBondContact OG-CA 3.33Å
320	A	98.7	Very high	98.5	Very high	69 Å²	69	42 Å²	42	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-63.8	-37.3	176.1	0	0	0	0	0	112.5	R316 K317 V318 K323	R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 2.96Å; K317-A320 PolarHBondContact O-N 2.89Å; V318-A320 VanDerWaalsContact C-N 3.34Å; V318-A320 PolarHBondContact O-N 2.86Å; A320-K323 VanDerWaalsContact O-CG 3.3Å; A320-K323 WeakPolarHBondContact O-CG 3.29Å
321	L	98.8	Very high	98.6	Very high	59 Å²	59	37.9 Å²	37.9	31%	0.309	22%	0.217	S	C	.	.	H	α-helix	trans	-71.7	-40.2	176.7	-68.8	169	0	0	0	112.1	L251 K252 V255 K317 V318 S319 K323	L251-L321 HydrophobicContact CB-CD1 4.05Å; K252-L321 HydrophobicContact CG-CD1 4.16Å; K252-L321 HydrophobicContact CG-CD2 3.7Å; V255-L321 HydrophobicContact CB-CB 4.07Å; V255-L321 HydrophobicContact CB-CD1 4.5Å; V255-L321 HydrophobicContact CG1-CB 3.79Å; V255-L321 HydrophobicContact CG2-CB 3.96Å; V255-L321 HydrophobicContact CG2-CD1 4.13Å; K317-L321 VanDerWaalsContact O-CG 3.28Å; K317-L321 WeakPolarHBondContact O-CG 3.34Å; K317-L321 PolarHBondContact O-N 3.41Å; V318-L321 PolarHBondContact O-N 3.05Å; V318-L321 VanDerWaalsContact O-N 3.13Å; S319-L321 VanDerWaalsContact C-N 3.32Å; S319-L321 PolarHBondContact O-N 2.63Å; L321-K323 VanDerWaalsContact C-N 3.34Å
322	T	98.5	Very high	98.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-76	-22.9	179.9	65	0	0	0	0	113.3	V255 M268 V318 S319 G324 A325 I326 L328	V255-T322 HydrophobicContact CG1-CG2 3.88Å; V255-T322 HydrophobicContact CG2-CG2 4.27Å; M268-T322 HydrophobicContact SD-CG2 4.4Å; V318-T322 HydrophobicContact CG1-CG2 4Å; V318-T322 WeakPolarHBondContact O-CG2 3.41Å; V318-T322 PolarHBondContact O-N 2.85Å; V318-T322 PolarHBondContact O-OG1 3.45Å; S319-T322 PolarHBondContact O-N 2.89Å; S319-T322 PolarHBondContact O-OG1 3.25Å; T322-G324 PolarHBondContact O-N 3.33Å; T322-G324 VanDerWaalsContact O-N 3.11Å; T322-A325 WeakPolarHBondContact O-CB 3.34Å; T322-A325 PolarHBondContact O-N 2.95Å; T322-I326 HydrophobicContact CG2-CD1 4.39Å; T322-I326 HydrophobicContact CG2-CG1 4.1Å; T322-L328 HydrophobicContact CG2-CD2 4.35Å
323	K	97.8	Very high	98.5	Very high	186 Å²	186	38.1 Å²	38.1	81%	0.809	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	34.6	-178.9	-55.9	179	-177.6	178.5	0	112.4	S319 A320 L321 A325	S319-K323 PolarHBondContact O-N 3.48Å; A320-K323 VanDerWaalsContact O-CG 3.3Å; A320-K323 WeakPolarHBondContact O-CG 3.29Å; L321-K323 VanDerWaalsContact C-N 3.34Å; K323-A325 VanDerWaalsContact C-N 3.28Å; K323-A325 PolarHBondContact O-N 2.83Å
324	G	96.2	Very high	98.5	Very high	64 Å²	64	35.2 Å²	35.2	66%	0.66	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	9	-178.5	0	0	0	0	0	115.6	T322 I326	T322-G324 PolarHBondContact O-N 3.33Å; T322-G324 VanDerWaalsContact O-N 3.11Å; G324-I326 PolarHBondContact O-N 2.76Å
325	A	98.1	Very high	98.5	Very high	45 Å²	45	35.8 Å²	35.8	37%	0.372	21%	0.21	S	C	.	.	S	Bend	trans	-66.6	-22.6	-177.4	0	0	0	0	0	114.4	L259 R264 T322 K323	L259-A325 HydrophobicContact CD1-CB 4.45Å; L259-A325 HydrophobicContact CD2-CB 3.85Å; R264-A325 PolarHBondContact NH2-O 2.97Å; T322-A325 WeakPolarHBondContact O-CB 3.34Å; T322-A325 PolarHBondContact O-N 2.95Å; K323-A325 VanDerWaalsContact C-N 3.28Å; K323-A325 PolarHBondContact O-N 2.83Å
326	I	98.4	Very high	98.5	Very high	9 Å²	9	37 Å²	37	5%	0.046	22%	0.219	C	C	.	.	S	Bend	trans	-141.9	145.2	173.6	59	178.6	0	0	0	109.6	L259 I265 M268 T322 G324	L259-I326 HydrophobicContact CD2-CD1 3.99Å; L259-I326 HydrophobicContact CD2-CG1 4.06Å; L259-I326 HydrophobicContact CD2-CG2 3.92Å; I265-I326 HydrophobicContact CD1-CD1 4.42Å; I265-I326 HydrophobicContact CG1-CD1 4.1Å; I265-I326 WeakPolarHBondContact O-CG2 3.49Å; M268-I326 HydrophobicContact CG-CD1 3.8Å; M268-I326 HydrophobicContact SD-CD1 3.94Å; T322-I326 HydrophobicContact CG2-CD1 4.39Å; T322-I326 HydrophobicContact CG2-CG1 4.1Å; G324-I326 PolarHBondContact O-N 2.76Å
327	P	98.6	Very high	98.5	Very high	38 Å²	38	31 Å²	31	25%	0.247	20%	0.196	C	C	.	.			trans	-68.4	150.3	176.4	-14.3	27.6	0	0	0	112.8	V77 F78 D266 G267 M268	V77-P327 HydrophobicContact CG1-CB 3.51Å; V77-P327 HydrophobicContact CG1-CG 3.9Å; F78-P327 HydrophobicContact CD1-CB 4.26Å; F78-P327 HydrophobicContact CD1-CG 3.92Å; F78-P327 HydrophobicContact CE1-CB 3.51Å; F78-P327 HydrophobicContact CE1-CG 3.64Å; F78-P327 HydrophobicContact CZ-CB 3.88Å; F78-P327 HydrophobicContact CZ-CG 4.44Å; D266-P327 WeakPolarHBondContact O-CD 3.36Å; G267-P327 VanDerWaalsContact CA-O 3.27Å; G267-P327 WeakPolarHBondContact CA-O 3.32Å; M268-P327 PolarHBondContact N-O 2.69Å
328	L	98.9	Very high	98.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.9	-179.3	-55.3	178.9	0	0	0	111	M268 L315 V318 T322 A348 S349 L350	M268-L328 HydrophobicContact CB-CD2 3.75Å; M268-L328 HydrophobicContact CG-CD2 4.36Å; M268-L328 CarbonylContact O-C 3.6Å; M268-L328 WeakPolarHBondContact O-CA 3.39Å; M268-L328 HydrophobicContact SD-CD2 4.44Å; L315-L328 HydrophobicContact CD1-CB 4.06Å; L315-L328 HydrophobicContact CD1-CD1 3.96Å; V318-L328 HydrophobicContact CG1-CD1 4.06Å; V318-L328 HydrophobicContact CG1-CD2 3.97Å; T322-L328 HydrophobicContact CG2-CD2 4.35Å; L328-A348 CarbonylContact O-C 3.46Å; L328-A348 WeakPolarHBondContact O-CA 3.38Å; L328-S349 PolarHBondContact O-N 2.86Å; L328-L350 PolarHBondContact O-N 3.24Å
329	I	98.9	Very high	98.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.5	169.5	-51.7	-168.8	0	0	0	108.8	F78 L239 M268 I269 I270 V331 L350 Q352	F78-I329 HydrophobicContact CE2-CD1 4.04Å; F78-I329 HydrophobicContact CE2-CG1 4.25Å; F78-I329 HydrophobicContact CZ-CD1 4.38Å; F78-I329 HydrophobicContact CZ-CG1 4.18Å; L239-I329 HydrophobicContact CD2-CD1 3.63Å; L239-I329 HydrophobicContact CD2-CG1 4.22Å; M268-I329 PolarHBondContact O-N 3.31Å; I269-I329 HydrophobicContact CB-CB 4.46Å; I269-I329 HydrophobicContact CG1-CB 3.89Å; I269-I329 HydrophobicContact CG1-CD1 3.99Å; I269-I329 HydrophobicContact CG1-CG1 4.13Å; I269-I329 HydrophobicContact CG2-CB 4.5Å; I270-I329 PolarHBondContact N-O 3.22Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å; I329-L350 CarbonylContact C-O 3.55Å; I329-L350 WeakPolarHBondContact CA-O 3.49Å; I329-L350 HydrophobicContact CD1-CD1 4.16Å; I329-L350 HydrophobicContact CG1-CB 4.18Å; I329-L350 HydrophobicContact CG1-CD1 4.36Å; I329-L350 HydrophobicContact CG2-CB 4.23Å; I329-Q352 HydrophobicContact CG2-CG 3.67Å
330	G	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.8	178.4	0	0	0	0	0	112.5	I270 L350 V351 Q352	I270-G330 CarbonylContact O-C 3.59Å; I270-G330 WeakPolarHBondContact O-CA 3.4Å; G330-L350 PolarHBondContact N-O 2.78Å; G330-V351 CarbonylContact O-C 3.57Å; G330-V351 WeakPolarHBondContact O-CA 3.42Å; G330-V351 WeakPolarHBondContact O-CB 3.31Å; G330-Q352 PolarHBondContact O-N 3.41Å
331	V	98.9	Very high	98.4	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.1	-176.3	-166.4	0	0	0	0	109.4	A89 I269 I270 S271 S311 I329 Q352	A89-V331 HydrophobicContact CB-CG1 3.89Å; I269-V331 HydrophobicContact CG2-CG2 3.51Å; I270-V331 PolarHBondContact O-N 2.98Å; S271-V331 PolarHBondContact N-O 3.43Å; S271-V331 VanDerWaalsContact N-O 3.16Å; S311-V331 WeakPolarHBondContact CB-O 3.45Å; I329-V331 HydrophobicContact CG2-CG2 4.07Å; V331-Q352 HydrophobicContact CG1-CB 4.18Å; V331-Q352 HydrophobicContact CG2-CB 3.84Å; V331-Q352 HydrophobicContact CG2-CG 4.27Å
332	G	98.6	Very high	98.4	Very high	8 Å²	8	29 Å²	29	8%	0.082	18%	0.178	C	C	.	.	S	Bend	trans	127.5	116.2	172.8	0	0	0	0	0	113	F308 S311 I334 K343	F308-G332 WeakPolarHBondContact CD2-O 3.28Å; S311-G332 PolarHBondContact OG-O 3.43Å; G332-I334 VanDerWaalsContact C-N 3.25Å; G332-I334 PolarHBondContact O-N 2.93Å; G332-K343 WeakPolarHBondContact O-CE 3.3Å; G332-K343 PolarHBondContact O-NZ 2.77Å
333	G	98.5	Very high	98.4	Very high	9 Å²	9	28.9 Å²	28.9	9%	0.093	18%	0.177	C	C	.	.	S	Bend	trans	70.5	5.7	171	0	0	0	0	0	117.6	G304 R305 S335	G304-G333 WeakPolarHBondContact O-CA 3.49Å; R305-G333 PolarHBondContact NH1-O 3.13Å; G333-S335 PolarHBondContact O-N 2.84Å
334	I	98.9	Very high	98.5	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	15%	0.145	C	C	.	.			trans	-69.8	123	-178.9	-51.3	173	0	0	0	110.6	G332 D339 A340 K343 V351 L353 S356	G332-I334 VanDerWaalsContact C-N 3.25Å; G332-I334 PolarHBondContact O-N 2.93Å; I334-D339 HydrophobicContact CB-CB 4.31Å; I334-D339 HydrophobicContact CG2-CB 3.85Å; I334-A340 HydrophobicContact CG2-CB 3.84Å; I334-K343 HydrophobicContact CD1-CG 3.79Å; I334-K343 HydrophobicContact CG1-CG 4.01Å; I334-V351 HydrophobicContact CD1-CB 3.67Å; I334-V351 HydrophobicContact CD1-CG1 4.06Å; I334-V351 HydrophobicContact CD1-CG2 4.29Å; I334-L353 HydrophobicContact CB-CD2 3.56Å; I334-L353 HydrophobicContact CD1-CD2 4.42Å; I334-L353 HydrophobicContact CG2-CD2 3.33Å; I334-S356 WeakPolarHBondContact O-CB 3.44Å; I334-S356 PolarHBondContact O-OG 3.46Å
335	S	98.2	Very high	98.6	Very high	16 Å²	16	24.4 Å²	24.4	11%	0.112	15%	0.147	C	C	.	.			trans	-133.6	-11.4	-177.1	80.9	0	0	0	0	114.7	R305 G333 D339 Q360 K367	R305-S335 PolarHBondContact NH1-OG 2.77Å; G333-S335 PolarHBondContact O-N 2.84Å; S335-D339 PolarHBondContact N-OD2 3.32Å; S335-D339 PolarHBondContact OG-OD2 2.97Å; S335-Q360 PolarHBondContact O-NE2 3.37Å; S335-Q360 PolarHBondContact O-OE1 2.87Å; S335-K367 PolarHBondContact O-NZ 3.02Å; S335-K367 VanDerWaalsContact O-NZ 3.1Å
336	C	98.5	Very high	98.6	Very high	26 Å²	26	22.7 Å²	22.7	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-145.9	178	173.2	65.3	0	0	0	0	112.8	E338 D339 A340 E371	C336-E338 VanDerWaalsContact C-N 3.34Å; C336-E338 PolarHBondContact SG-OE2 3.22Å; C336-D339 PolarHBondContact N-OD2 3.27Å; C336-D339 VanDerWaalsContact N-OD2 3.16Å; C336-D339 PolarHBondContact O-N 2.97Å; C336-D339 PolarHBondContact SG-OD2 3.13Å; C336-A340 PolarHBondContact O-N 3.25Å; C336-E371 WeakPolarHBondContact CA-OE2 3.32Å; C336-E371 WeakPolarHBondContact CB-OE2 3.4Å
337	G	98.3	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-36.3	176.7	0	0	0	0	0	114	A340 L341 E371 I372	G337-A340 PolarHBondContact O-N 3.39Å; G337-L341 VanDerWaalsContact O-CB 3.3Å; G337-L341 WeakPolarHBondContact O-CB 3.44Å; G337-L341 PolarHBondContact O-N 2.99Å; G337-E371 PolarHBondContact N-OE2 2.98Å; G337-I372 WeakPolarHBondContact O-CG1 3.49Å
338	E	98.5	Very high	98.6	Very high	94 Å²	94	22.1 Å²	22.1	44%	0.439	14%	0.135	S	C	.	.	H	α-helix	trans	-64.3	-41.5	177.5	-65.4	73	-161.4	0	0	111.5	C336 L341 S342 L375	C336-E338 VanDerWaalsContact C-N 3.34Å; C336-E338 PolarHBondContact SG-OE2 3.22Å; E338-L341 PolarHBondContact O-N 3.27Å; E338-S342 WeakPolarHBondContact O-CB 3.28Å; E338-S342 PolarHBondContact O-N 3.31Å; E338-S342 PolarHBondContact O-OG 2.92Å; E338-L375 HydrophobicContact CB-CD1 4.49Å; E338-L375 HydrophobicContact CG-CD1 3.91Å; E338-L375 HydrophobicContact CG-CD2 4.45Å
339	D	98.8	Very high	98.6	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.059	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-45	175.4	-65.8	-40.4	0	0	0	111.3	R305 F308 I334 S335 C336 S342 K343	R305-D339 IonicContact CZ-OD1 3.25Å; R305-D339 IonicContact CZ-OD2 2.94Å; R305-D339 IonicContact NH1-OD1 2.66Å; R305-D339 PolarHBondContact NH1-OD1 2.99Å; R305-D339 IonicContact NH1-OD2 2.85Å; R305-D339 PolarHBondContact NH1-OD2 2.93Å; R305-D339 IonicContact NH2-OD1 3.66Å; R305-D339 PolarHBondContact NH2-OD1 3.46Å; F308-D339 HydrophobicContact CD2-CB 4.3Å; F308-D339 HydrophobicContact CE2-CB 3.55Å; F308-D339 HydrophobicContact CZ-CB 3.97Å; I334-D339 HydrophobicContact CB-CB 4.31Å; I334-D339 HydrophobicContact CG2-CB 3.85Å; S335-D339 PolarHBondContact N-OD2 3.32Å; S335-D339 PolarHBondContact OG-OD2 2.97Å; C336-D339 PolarHBondContact N-OD2 3.27Å; C336-D339 VanDerWaalsContact N-OD2 3.16Å; C336-D339 PolarHBondContact O-N 2.97Å; C336-D339 PolarHBondContact SG-OD2 3.13Å; D339-S342 WeakPolarHBondContact O-CB 3.42Å; D339-S342 PolarHBondContact O-N 3.16Å; D339-K343 WeakPolarHBondContact O-CG 3.42Å; D339-K343 PolarHBondContact O-N 2.88Å
340	A	98.7	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-43.1	-179.9	0	0	0	0	0	110.7	I86 I334 C336 G337 S342 K343 L344 V351 V368 I372	I86-A340 HydrophobicContact CD1-CB 4.25Å; I334-A340 HydrophobicContact CG2-CB 3.84Å; C336-A340 PolarHBondContact O-N 3.25Å; G337-A340 PolarHBondContact O-N 3.39Å; A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.46Å; A340-K343 WeakPolarHBondContact O-CB 3.48Å; A340-K343 PolarHBondContact O-N 3.29Å; A340-L344 WeakPolarHBondContact O-CG 3.35Å; A340-L344 PolarHBondContact O-N 3.18Å; A340-V351 HydrophobicContact CB-CG2 4Å; A340-V368 HydrophobicContact CB-CG1 3.67Å; A340-I372 HydrophobicContact CB-CD1 3.42Å; A340-I372 VanDerWaalsContact CB-CD1 3.42Å; A340-I372 HydrophobicContact CB-CG1 4.1Å
341	L	98.2	Very high	98.6	Very high	32 Å²	32	24.2 Å²	24.2	17%	0.168	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-38.5	173.4	-173.5	60.8	0	0	0	111.5	G337 E338 K343 L344 N345 L375 K376	G337-L341 VanDerWaalsContact O-CB 3.3Å; G337-L341 WeakPolarHBondContact O-CB 3.44Å; G337-L341 PolarHBondContact O-N 2.99Å; E338-L341 PolarHBondContact O-N 3.27Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.45Å; L341-L344 PolarHBondContact O-N 2.64Å; L341-N345 WeakPolarHBondContact O-CB 3.43Å; L341-N345 PolarHBondContact O-N 3.05Å; L341-L375 HydrophobicContact CD2-CB 3.87Å; L341-L375 HydrophobicContact CD2-CD1 4.06Å; L341-K376 HydrophobicContact CD1-CG 4.47Å
342	S	98.6	Very high	98.6	Very high	50 Å²	50	23.7 Å²	23.7	35%	0.35	15%	0.147	S	C	.	.	H	α-helix	trans	-61.1	-39	174.9	-61.8	0	0	0	0	112.3	E338 D339 A340 A346	E338-S342 WeakPolarHBondContact O-CB 3.28Å; E338-S342 PolarHBondContact O-N 3.31Å; E338-S342 PolarHBondContact O-OG 2.92Å; D339-S342 WeakPolarHBondContact O-CB 3.42Å; D339-S342 PolarHBondContact O-N 3.16Å; A340-S342 VanDerWaalsContact C-N 3.29Å; A340-S342 PolarHBondContact O-N 3.46Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 3.45Å
343	K	98.8	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-42.9	173.7	-66	-72.8	-169.1	-176.9	0	111.9	F308 S311 T312 L315 G332 I334 D339 A340 L341 N345 A346 G347 A348 V351	F308-K343 HydrophobicContact CE2-CG 4.43Å; S311-K343 PolarHBondContact O-NZ 2.98Å; S311-K343 PolarHBondContact OG-NZ 2.89Å; T312-K343 HydrophobicContact CG2-CD 4.46Å; T312-K343 WeakPolarHBondContact OG1-CD 3.17Å; T312-K343 WeakPolarHBondContact OG1-CE 3.38Å; T312-K343 PolarHBondContact OG1-NZ 2.73Å; L315-K343 HydrophobicContact CD2-CB 4.06Å; L315-K343 HydrophobicContact CD2-CD 3.73Å; L315-K343 WeakPolarHBondContact CD2-O 3.02Å; G332-K343 WeakPolarHBondContact O-CE 3.3Å; G332-K343 PolarHBondContact O-NZ 2.77Å; I334-K343 HydrophobicContact CD1-CG 3.79Å; I334-K343 HydrophobicContact CG1-CG 4.01Å; D339-K343 WeakPolarHBondContact O-CG 3.42Å; D339-K343 PolarHBondContact O-N 2.88Å; A340-K343 WeakPolarHBondContact O-CB 3.48Å; A340-K343 PolarHBondContact O-N 3.29Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.45Å; K343-N345 VanDerWaalsContact C-N 3.33Å; K343-N345 PolarHBondContact O-N 3.41Å; K343-A346 WeakPolarHBondContact O-CB 3.44Å; K343-A346 PolarHBondContact O-N 3.2Å; K343-A346 VanDerWaalsContact O-N 3.15Å; K343-G347 PolarHBondContact O-N 3.25Å; K343-A348 WeakPolarHBondContact O-CB 3.48Å; K343-A348 PolarHBondContact O-N 3.36Å; K343-A348 VanDerWaalsContact O-N 3.13Å; K343-V351 HydrophobicContact CB-CG1 3.57Å; K343-V351 HydrophobicContact CG-CG1 4.32Å
344	L	98.3	Very high	98.6	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.141	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-45.5	175.8	-65.1	174.1	0	0	0	110.8	P85 A340 L341 A346 G347 A348 V351 I372	P85-L344 HydrophobicContact CB-CD2 4.25Å; P85-L344 HydrophobicContact CG-CD1 4.13Å; A340-L344 WeakPolarHBondContact O-CG 3.35Å; A340-L344 PolarHBondContact O-N 3.18Å; L341-L344 PolarHBondContact O-N 2.64Å; L344-A346 VanDerWaalsContact C-N 3.26Å; L344-A346 PolarHBondContact O-N 2.98Å; L344-G347 PolarHBondContact O-N 3.45Å; L344-A348 WeakPolarHBondContact CA-O 3.49Å; L344-A348 VanDerWaalsContact CD2-O 3.31Å; L344-A348 WeakPolarHBondContact CD2-O 3.45Å; L344-A348 PolarHBondContact O-N 3.3Å; L344-V351 HydrophobicContact CD2-CG1 4.18Å; L344-V351 HydrophobicContact CG-CG1 4.35Å; L344-I372 HydrophobicContact CD1-CD1 4.36Å
345	N	98.1	Very high	98.6	Very high	129 Å²	129	24.9 Å²	24.9	69%	0.69	15%	0.147	S	C	*	.	H	α-helix	trans	-67	-25.3	176.1	-68.2	-11.5	0	0	0	112.9	L341 K343 G347	L341-N345 WeakPolarHBondContact O-CB 3.43Å; L341-N345 PolarHBondContact O-N 3.05Å; K343-N345 VanDerWaalsContact C-N 3.33Å; K343-N345 PolarHBondContact O-N 3.41Å; N345-G347 PolarHBondContact O-N 2.87Å
346	A	98.6	Very high	98.6	Very high	8 Å²	8	24.4 Å²	24.4	7%	0.066	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.2	171.4	0	0	0	0	0	113.4	T312 L315 R316 S319 S342 K343 L344	T312-A346 HydrophobicContact CG2-CB 4.02Å; L315-A346 HydrophobicContact CD2-CB 3.89Å; L315-A346 HydrophobicContact CG-CB 4.16Å; R316-A346 HydrophobicContact CB-CB 4.48Å; S319-A346 WeakPolarHBondContact CB-O 3.23Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 3.45Å; K343-A346 WeakPolarHBondContact O-CB 3.44Å; K343-A346 PolarHBondContact O-N 3.2Å; K343-A346 VanDerWaalsContact O-N 3.15Å; L344-A346 VanDerWaalsContact C-N 3.26Å; L344-A346 PolarHBondContact O-N 2.98Å
347	G	98.3	Very high	98.5	Very high	27 Å²	27	23.9 Å²	23.9	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.3	7.6	172.9	0	0	0	0	0	115.3	S319 K343 L344 N345	S319-G347 WeakPolarHBondContact OG-CA 3.33Å; K343-G347 PolarHBondContact O-N 3.25Å; L344-G347 PolarHBondContact O-N 3.45Å; N345-G347 PolarHBondContact O-N 2.87Å
348	A	98.7	Very high	98.5	Very high	8 Å²	8	25.8 Å²	25.8	7%	0.066	15%	0.15	C	C	.	.			trans	-75.4	143.3	171.7	0	0	0	0	0	112	L315 L328 K343 L344 L350 V351	L315-A348 HydrophobicContact CD1-CB 4.2Å; L315-A348 HydrophobicContact CD2-CB 3.87Å; L328-A348 CarbonylContact O-C 3.46Å; L328-A348 WeakPolarHBondContact O-CA 3.38Å; K343-A348 WeakPolarHBondContact O-CB 3.48Å; K343-A348 PolarHBondContact O-N 3.36Å; K343-A348 VanDerWaalsContact O-N 3.13Å; L344-A348 WeakPolarHBondContact CA-O 3.49Å; L344-A348 VanDerWaalsContact CD2-O 3.31Å; L344-A348 WeakPolarHBondContact CD2-O 3.45Å; L344-A348 PolarHBondContact O-N 3.3Å; A348-L350 WeakPolarHBondContact CB-O 3.5Å; A348-V351 HydrophobicContact CB-CG1 4.5Å
349	S	98.7	Very high	98.4	Very high	47 Å²	47	21.6 Å²	21.6	33%	0.329	13%	0.13	S	C	.	.	S	Bend	trans	-90.9	-30	170.4	-49.5	0	0	0	0	112	L328	L328-S349 PolarHBondContact O-N 2.86Å
350	L	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162	176.2	-60.1	172.2	0	0	0	109.3	V77 F78 F82 P85 L328 I329 G330 A348	V77-L350 HydrophobicContact CB-CD1 4.16Å; V77-L350 HydrophobicContact CB-CG 4.33Å; V77-L350 HydrophobicContact CG1-CD1 4.25Å; V77-L350 HydrophobicContact CG1-CG 4.41Å; V77-L350 HydrophobicContact CG2-CD1 4.35Å; V77-L350 HydrophobicContact CG2-CD2 3.98Å; V77-L350 HydrophobicContact CG2-CG 4.01Å; F78-L350 HydrophobicContact CE2-CD1 4.07Å; F82-L350 HydrophobicContact CB-CD2 4.33Å; F82-L350 HydrophobicContact CD1-CD1 4.05Å; F82-L350 HydrophobicContact CD1-CD2 4.09Å; F82-L350 HydrophobicContact CD2-CD1 4.29Å; F82-L350 HydrophobicContact CD2-CD2 4.17Å; F82-L350 HydrophobicContact CE1-CD1 3.57Å; F82-L350 HydrophobicContact CE1-CD2 4.46Å; F82-L350 HydrophobicContact CE2-CD1 3.86Å; F82-L350 HydrophobicContact CG-CD1 4.39Å; F82-L350 HydrophobicContact CG-CD2 3.94Å; F82-L350 HydrophobicContact CZ-CD1 3.49Å; F82-L350 VanDerWaalsContact CZ-CD1 3.49Å; P85-L350 HydrophobicContact CB-CD2 4.18Å; L328-L350 PolarHBondContact O-N 3.24Å; I329-L350 CarbonylContact C-O 3.55Å; I329-L350 WeakPolarHBondContact CA-O 3.49Å; I329-L350 HydrophobicContact CD1-CD1 4.16Å; I329-L350 HydrophobicContact CG1-CB 4.18Å; I329-L350 HydrophobicContact CG1-CD1 4.36Å; I329-L350 HydrophobicContact CG2-CB 4.23Å; G330-L350 PolarHBondContact N-O 2.78Å; A348-L350 WeakPolarHBondContact CB-O 3.5Å
351	V	98.9	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.4	170.8	-61.7	0	0	0	0	112	P85 I86 G87 G330 I334 A340 K343 L344 A348	P85-V351 PolarHBondContact O-N 2.73Å; P85-V351 VanDerWaalsContact O-O 3.09Å; I86-V351 HydrophobicContact CD1-CG2 3.29Å; G87-V351 PolarHBondContact N-O 2.7Å; G330-V351 CarbonylContact O-C 3.57Å; G330-V351 WeakPolarHBondContact O-CA 3.42Å; G330-V351 WeakPolarHBondContact O-CB 3.31Å; I334-V351 HydrophobicContact CD1-CB 3.67Å; I334-V351 HydrophobicContact CD1-CG1 4.06Å; I334-V351 HydrophobicContact CD1-CG2 4.29Å; A340-V351 HydrophobicContact CB-CG2 4Å; K343-V351 HydrophobicContact CB-CG1 3.57Å; K343-V351 HydrophobicContact CG-CG1 4.32Å; L344-V351 HydrophobicContact CD2-CG1 4.18Å; L344-V351 HydrophobicContact CG-CG1 4.35Å; A348-V351 HydrophobicContact CB-CG1 4.5Å
352	Q	98.9	Very high	98.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	174.1	-62.9	170.5	-17.8	0	0	112.5	G87 A89 H109 E111 I329 G330 V331	G87-Q352 CarbonylContact O-C 3.57Å; G87-Q352 VanDerWaalsContact O-CA 3.3Å; G87-Q352 WeakPolarHBondContact O-CA 3.11Å; A89-Q352 HydrophobicContact CB-CB 3.8Å; H109-Q352 WeakPolarHBondContact NE2-CG 3.39Å; E111-Q352 PolarHBondContact OE2-NE2 2.79Å; E111-Q352 PolarHBondContact OE2-OE1 3.44Å; I329-Q352 HydrophobicContact CG2-CG 3.67Å; G330-Q352 PolarHBondContact O-N 3.41Å; V331-Q352 HydrophobicContact CG1-CB 4.18Å; V331-Q352 HydrophobicContact CG2-CB 3.84Å; V331-Q352 HydrophobicContact CG2-CG 4.27Å
353	L	98.8	Very high	98	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	160.8	173.8	-50	-173.5	0	0	0	110.3	I86 G87 L88 A89 F107 I334 V364 V368	I86-L353 HydrophobicContact CG2-CD1 3.8Å; I86-L353 HydrophobicContact CG2-CD2 4.47Å; I86-L353 HydrophobicContact CG2-CG 3.88Å; G87-L353 PolarHBondContact O-N 2.74Å; L88-L353 WeakPolarHBondContact CD1-O 3.36Å; A89-L353 PolarHBondContact N-O 2.85Å; F107-L353 HydrophobicContact CE1-CB 4.1Å; F107-L353 HydrophobicContact CE1-CD1 4.01Å; F107-L353 HydrophobicContact CE1-CG 4.19Å; F107-L353 HydrophobicContact CZ-CB 4.47Å; I334-L353 HydrophobicContact CB-CD2 3.56Å; I334-L353 HydrophobicContact CD1-CD2 4.42Å; I334-L353 HydrophobicContact CG2-CD2 3.33Å; L353-V364 HydrophobicContact CD1-CG1 4Å; L353-V364 HydrophobicContact CD1-CG2 4.16Å; L353-V368 HydrophobicContact CD1-CG2 4.12Å
354	Y	98.6	Very high	98	Very high	35 Å²	35	18.3 Å²	18.3	14%	0.137	11%	0.11	C	C	.	.	S	Bend	trans	-152	-68.8	167.6	-177.1	-82.3	0	0	0	109.5	F92 S356 F357 V358	F92-Y354 HydrophobicContact CB-CE2 4.21Å; Y354-S356 PolarHBondContact O-N 3.2Å; Y354-F357 VanDerWaalsContact O-CB 3.24Å; Y354-F357 WeakPolarHBondContact O-CB 3.19Å; Y354-F357 PolarHBondContact O-N 3.32Å; Y354-F357 VanDerWaalsContact O-N 3.09Å; Y354-V358 HydrophobicContact CE1-CG2 4.46Å; Y354-V358 PolarHBondContact O-N 3.41Å
355	T	98.5	Very high	97.9	Very high	9 Å²	9	17 Å²	17	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-71.6	-33.8	-169	-45.1	0	0	0	0	112.1	E135 V137 S303 G304 F357 V358 Y359	E135-T355 WeakPolarHBondContact O-CG2 3.41Å; V137-T355 HydrophobicContact CG2-CG2 3.99Å; S303-T355 WeakPolarHBondContact CB-OG1 3.33Å; S303-T355 PolarHBondContact OG-OG1 2.72Å; G304-T355 WeakPolarHBondContact CA-OG1 3.35Å; G304-T355 PolarHBondContact N-OG1 2.97Å; G304-T355 VanDerWaalsContact N-OG1 3.09Å; T355-F357 PolarHBondContact O-N 3.49Å; T355-V358 WeakPolarHBondContact O-CA 3.49Å; T355-V358 VanDerWaalsContact O-CB 3.3Å; T355-V358 WeakPolarHBondContact O-CB 3.48Å; T355-V358 PolarHBondContact O-N 2.85Å; T355-Y359 HydrophobicContact CG2-CD2 3.71Å; T355-Y359 HydrophobicContact CG2-CE2 3.59Å; T355-Y359 VanDerWaalsContact O-CD2 3.31Å; T355-Y359 WeakPolarHBondContact O-CD2 3.14Å; T355-Y359 PolarHBondContact O-N 3.15Å; T355-Y359 VanDerWaalsContact O-N 3.13Å
356	S	98.4	Very high	97.9	Very high	7 Å²	7	12.2 Å²	12.2	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-29.1	173.1	51.4	0	0	0	0	112.7	I334 Y354 V358 Y359 Q360	I334-S356 WeakPolarHBondContact O-CB 3.44Å; I334-S356 PolarHBondContact O-OG 3.46Å; Y354-S356 PolarHBondContact O-N 3.2Å; S356-V358 VanDerWaalsContact C-N 3.31Å; S356-V358 PolarHBondContact O-N 2.96Å; S356-Y359 PolarHBondContact O-N 2.75Å; S356-Q360 WeakPolarHBondContact O-CA 3.36Å; S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 2.76Å
357	F	97.5	Very high	97.8	Very high	14 Å²	14	13 Å²	13	6%	0.061	8%	0.078	C	C	.	.	H	α-helix	trans	-66.2	-34.4	170.6	-166.8	-102.9	0	0	0	112.1	L88 F92 L102 F107 Y354 T355 G361 P362 V364	L88-F357 HydrophobicContact CD1-CB 4.45Å; L88-F357 HydrophobicContact CD1-CG 4.5Å; F92-F357 AromaticContact CD2-CD1 3.95Å; F92-F357 HydrophobicContact CD2-CD1 3.95Å; F92-F357 HydrophobicContact CD2-CE1 4.25Å; F92-F357 HydrophobicContact CE1-CE1 4.01Å; F92-F357 AromaticContact CE2-CD1 3.57Å; F92-F357 HydrophobicContact CE2-CD1 3.57Å; F92-F357 AromaticContact CE2-CE1 3.58Å; F92-F357 HydrophobicContact CE2-CE1 3.58Å; F92-F357 AromaticContact CZ-CD1 3.98Å; F92-F357 HydrophobicContact CZ-CD1 3.98Å; F92-F357 AromaticContact CZ-CE1 3.46Å; F92-F357 HydrophobicContact CZ-CE1 3.46Å; F92-F357 VanDerWaalsContact CZ-CE1 3.46Å; L102-F357 HydrophobicContact CD2-CE1 4.02Å; L102-F357 HydrophobicContact CD2-CE2 4.43Å; L102-F357 HydrophobicContact CD2-CZ 3.65Å; F107-F357 AromaticContact CE2-CD2 3.6Å; F107-F357 HydrophobicContact CE2-CD2 3.6Å; F107-F357 AromaticContact CE2-CE2 3.49Å; F107-F357 HydrophobicContact CE2-CE2 3.49Å; F107-F357 VanDerWaalsContact CE2-CE2 3.49Å; F107-F357 HydrophobicContact CE2-CG 4.49Å; F107-F357 HydrophobicContact CE2-CZ 4.38Å; F107-F357 AromaticContact CZ-CD2 3.69Å; F107-F357 HydrophobicContact CZ-CD2 3.69Å; F107-F357 HydrophobicContact CZ-CE2 4.09Å; F107-F357 HydrophobicContact CZ-CG 4.42Å; Y354-F357 VanDerWaalsContact O-CB 3.24Å; Y354-F357 WeakPolarHBondContact O-CB 3.19Å; Y354-F357 PolarHBondContact O-N 3.32Å; Y354-F357 VanDerWaalsContact O-N 3.09Å; T355-F357 PolarHBondContact O-N 3.49Å; F357-G361 WeakPolarHBondContact O-CA 3.48Å; F357-G361 PolarHBondContact O-N 3.48Å; F357-P362 VanDerWaalsContact CE2-CA 3.44Å; F357-P362 HydrophobicContact CE2-CB 4.12Å; F357-P362 HydrophobicContact CE2-CG 4.27Å; F357-P362 HydrophobicContact CZ-CB 4.35Å; F357-P362 HydrophobicContact CZ-CG 4.08Å; F357-V364 HydrophobicContact CB-CG1 4.25Å; F357-V364 HydrophobicContact CD2-CG1 3.88Å
358	V	96.9	Very high	97.8	Very high	40 Å²	40	11.8 Å²	11.8	24%	0.242	7%	0.065	C	C	.	.	H	α-helix	trans	-68.5	-37.2	175.7	-178.7	0	0	0	0	112	V137 Y354 T355 S356	V137-V358 HydrophobicContact CG2-CG1 4.48Å; Y354-V358 HydrophobicContact CE1-CG2 4.46Å; Y354-V358 PolarHBondContact O-N 3.41Å; T355-V358 WeakPolarHBondContact O-CA 3.49Å; T355-V358 VanDerWaalsContact O-CB 3.3Å; T355-V358 WeakPolarHBondContact O-CB 3.48Å; T355-V358 PolarHBondContact O-N 2.85Å; S356-V358 VanDerWaalsContact C-N 3.31Å; S356-V358 PolarHBondContact O-N 2.96Å
359	Y	97.6	Very high	97.8	Very high	6 Å²	6	11.4 Å²	11.4	2%	0.024	6%	0.062	C	C	.	.	H	α-helix	trans	-97.8	-29.4	-173.8	-73	-75.1	0	0	0	114.9	L36 W131 T132 E135 A136 V137 T355 S356	L36-Y359 VanDerWaalsContact CD1-O 3.32Å; L36-Y359 WeakPolarHBondContact CD1-O 3.26Å; W131-Y359 PolarHBondContact O-OH 3.13Å; T132-Y359 HydrophobicContact CG2-CE1 4.21Å; E135-Y359 HydrophobicContact CB-CD2 4.07Å; E135-Y359 HydrophobicContact CB-CE2 4.31Å; E135-Y359 HydrophobicContact CB-CG 4.32Å; A136-Y359 PolarHBondContact O-OH 2.78Å; V137-Y359 HydrophobicContact CG2-CE2 4.26Å; T355-Y359 HydrophobicContact CG2-CD2 3.71Å; T355-Y359 HydrophobicContact CG2-CE2 3.59Å; T355-Y359 VanDerWaalsContact O-CD2 3.31Å; T355-Y359 WeakPolarHBondContact O-CD2 3.14Å; T355-Y359 PolarHBondContact O-N 3.15Å; T355-Y359 VanDerWaalsContact O-N 3.13Å; S356-Y359 PolarHBondContact O-N 2.75Å
360	Q	97.6	Very high	97.7	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.047	6%	0.058	C	C	.	.	H	α-helix	trans	-112.2	-12.4	-177.5	-51.6	-178.2	31.3	0	0	113	Y31 K32 L36 S335 S356 V364	Y31-Q360 WeakPolarHBondContact CB-O 3.35Å; K32-Q360 HydrophobicContact CD-CG 4.25Å; K32-Q360 HydrophobicContact CG-CG 4.21Å; L36-Q360 VanDerWaalsContact CD1-C 3.45Å; S335-Q360 PolarHBondContact O-NE2 3.37Å; S335-Q360 PolarHBondContact O-OE1 2.87Å; S356-Q360 WeakPolarHBondContact O-CA 3.36Å; S356-Q360 VanDerWaalsContact O-CB 3.23Å; S356-Q360 WeakPolarHBondContact O-CB 3.48Å; S356-Q360 PolarHBondContact O-N 2.76Å; Q360-V364 HydrophobicContact CB-CB 4.16Å; Q360-V364 HydrophobicContact CB-CG2 4.16Å
361	G	96.4	Very high	97.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	7%	0.067	C	C	.	.			trans	80.6	-174.4	172.1	0	0	0	0	0	114.7	F357 P363 V364	F357-G361 WeakPolarHBondContact O-CA 3.48Å; F357-G361 PolarHBondContact O-N 3.48Å; G361-P363 VanDerWaalsContact C-N 3.33Å; G361-V364 WeakPolarHBondContact O-CB 3.26Å; G361-V364 WeakPolarHBondContact O-CG1 3.39Å; G361-V364 PolarHBondContact O-N 3.25Å; G361-V364 VanDerWaalsContact O-N 3.12Å
362	P	96	Very high	97.6	Very high	12 Å²	12	14.1 Å²	14.1	8%	0.078	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-38.2	-176.8	-28	36.6	0	0	0	116.8	Y31 I62 P63 A105 F357 V364	Y31-P362 HydrophobicContact CE1-CG 4.46Å; I62-P362 HydrophobicContact CB-CB 4.28Å; I62-P362 HydrophobicContact CB-CG 3.91Å; I62-P362 HydrophobicContact CG2-CG 4.02Å; P63-P362 HydrophobicContact CG-CB 3.79Å; P63-P362 HydrophobicContact CG-CG 4.41Å; A105-P362 HydrophobicContact CB-CB 4.19Å; F357-P362 VanDerWaalsContact CE2-CA 3.44Å; F357-P362 HydrophobicContact CE2-CB 4.12Å; F357-P362 HydrophobicContact CE2-CG 4.27Å; F357-P362 HydrophobicContact CZ-CB 4.35Å; F357-P362 HydrophobicContact CZ-CG 4.08Å; P362-V364 PolarHBondContact O-N 2.84Å
363	P	96.6	Very high	97.5	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.1	179.8	-27.5	37.8	0	0	0	115.2	G26 E28 Y31 P63 G361 A365 H366 K367	G26-P363 VanDerWaalsContact C-CG 3.5Å; G26-P363 WeakPolarHBondContact O-CB 3.33Å; G26-P363 WeakPolarHBondContact O-CG 3.23Å; E28-P363 HydrophobicContact CG-CB 3.63Å; Y31-P363 HydrophobicContact CD2-CG 3.67Å; Y31-P363 HydrophobicContact CE2-CG 4.11Å; Y31-P363 HydrophobicContact CG-CG 4.07Å; P63-P363 HydrophobicContact CG-CG 4.41Å; G361-P363 VanDerWaalsContact C-N 3.33Å; P363-A365 VanDerWaalsContact C-N 3.25Å; P363-A365 PolarHBondContact O-N 3.19Å; P363-H366 PolarHBondContact O-N 3.25Å; P363-K367 WeakPolarHBondContact O-CB 3.26Å; P363-K367 PolarHBondContact O-N 3.21Å
364	V	97.8	Very high	97.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-58.4	-33.8	-174.2	75.6	0	0	0	0	113.4	L353 F357 Q360 G361 P362 K367 V368	L353-V364 HydrophobicContact CD1-CG1 4Å; L353-V364 HydrophobicContact CD1-CG2 4.16Å; F357-V364 HydrophobicContact CB-CG1 4.25Å; F357-V364 HydrophobicContact CD2-CG1 3.88Å; Q360-V364 HydrophobicContact CB-CB 4.16Å; Q360-V364 HydrophobicContact CB-CG2 4.16Å; G361-V364 WeakPolarHBondContact O-CB 3.26Å; G361-V364 WeakPolarHBondContact O-CG1 3.39Å; G361-V364 PolarHBondContact O-N 3.25Å; G361-V364 VanDerWaalsContact O-N 3.12Å; P362-V364 PolarHBondContact O-N 2.84Å; V364-K367 PolarHBondContact O-N 3.03Å; V364-V368 HydrophobicContact CG2-CG2 4.11Å; V364-V368 WeakPolarHBondContact O-CB 3.26Å; V364-V368 VanDerWaalsContact O-CG2 3.23Å; V364-V368 WeakPolarHBondContact O-CG2 3.48Å; V364-V368 PolarHBondContact O-N 3.36Å
365	A	96.9	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-52.1	-179.1	0	0	0	0	0	111.2	F107 P363 A369	F107-A365 HydrophobicContact CD1-CB 3.58Å; F107-A365 HydrophobicContact CD2-CB 3.95Å; F107-A365 HydrophobicContact CE1-CB 3.64Å; F107-A365 HydrophobicContact CE2-CB 3.99Å; F107-A365 HydrophobicContact CG-CB 3.75Å; F107-A365 HydrophobicContact CZ-CB 3.84Å; P363-A365 VanDerWaalsContact C-N 3.25Å; P363-A365 PolarHBondContact O-N 3.19Å; A365-A369 PolarHBondContact O-N 3.09Å; A365-A369 VanDerWaalsContact O-N 3.16Å
366	H	96.7	Very high	97	Very high	28 Å²	28	25.8 Å²	25.8	13%	0.13	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-38.9	177.9	-176.4	86.7	0	0	0	112.1	K65 Q66 S69 F70 P363 A369 R370	K65-H366 HydrophobicContact CB-CB 3.82Å; K65-H366 HydrophobicContact CD-CB 4.41Å; K65-H366 HydrophobicContact CG-CB 3.95Å; Q66-H366 PolarHBondContact O-ND1 3.26Å; S69-H366 PolarHBondContact OG-CE1 2.99Å; F70-H366 AromaticContact CE2-CE1 3.57Å; F70-H366 AromaticContact CE2-ND1 3.82Å; F70-H366 AromaticContact CZ-CE1 3.56Å; F70-H366 AromaticContact CZ-NE2 3.71Å; P363-H366 PolarHBondContact O-N 3.25Å; H366-A369 PolarHBondContact O-N 3.15Å; H366-R370 WeakPolarHBondContact O-CB 3.23Å; H366-R370 PolarHBondContact O-N 2.69Å
367	K	97.6	Very high	96.5	Very high	25 Å²	25	31.4 Å²	31.4	11%	0.109	15%	0.147	C	C	.	.	H	α-helix	trans	-54.2	-54.3	173.9	172.8	-171	166.9	-128.8	0	111.3	E28 S335 P363 V364 A369 R370 E371	E28-K367 HydrophobicContact CG-CB 4.32Å; E28-K367 WeakPolarHBondContact OE2-CG 3.49Å; S335-K367 PolarHBondContact O-NZ 3.02Å; S335-K367 VanDerWaalsContact O-NZ 3.1Å; P363-K367 WeakPolarHBondContact O-CB 3.26Å; P363-K367 PolarHBondContact O-N 3.21Å; V364-K367 PolarHBondContact O-N 3.03Å; K367-A369 VanDerWaalsContact C-N 3.34Å; K367-A369 PolarHBondContact O-N 3.35Å; K367-R370 WeakPolarHBondContact O-CB 3.43Å; K367-R370 PolarHBondContact O-N 3.06Å; K367-E371 WeakPolarHBondContact CE-OE1 3.36Å; K367-E371 WeakPolarHBondContact O-CG 3.43Å; K367-E371 PolarHBondContact O-N 3.32Å
368	V	98.3	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-177.7	171.9	0	0	0	0	110.7	I86 A340 L353 V364 R370 E371 I372	I86-V368 HydrophobicContact CD1-CG1 3.68Å; I86-V368 HydrophobicContact CG1-CG1 4.02Å; I86-V368 HydrophobicContact CG2-CG1 4.38Å; A340-V368 HydrophobicContact CB-CG1 3.67Å; L353-V368 HydrophobicContact CD1-CG2 4.12Å; V364-V368 HydrophobicContact CG2-CG2 4.11Å; V364-V368 WeakPolarHBondContact O-CB 3.26Å; V364-V368 VanDerWaalsContact O-CG2 3.23Å; V364-V368 WeakPolarHBondContact O-CG2 3.48Å; V364-V368 PolarHBondContact O-N 3.36Å; V368-R370 PolarHBondContact O-N 2.91Å; V368-E371 PolarHBondContact O-N 3.15Å; V368-I372 HydrophobicContact CG1-CD1 4.14Å; V368-I372 WeakPolarHBondContact O-CG1 3.1Å; V368-I372 PolarHBondContact O-N 3.15Å
369	A	97.9	Very high	94.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.1	0	0	0	0	0	111.8	F70 L73 H84 I86 A365 H366 K367 E371 I372 N373	F70-A369 HydrophobicContact CD2-CB 3.77Å; F70-A369 HydrophobicContact CE2-CB 3.88Å; L73-A369 HydrophobicContact CD1-CB 4.38Å; L73-A369 WeakPolarHBondContact CD1-O 3.37Å; H84-A369 HydrophobicContact CB-CB 4.42Å; I86-A369 HydrophobicContact CG1-CB 4.22Å; A365-A369 PolarHBondContact O-N 3.09Å; A365-A369 VanDerWaalsContact O-N 3.16Å; H366-A369 PolarHBondContact O-N 3.15Å; K367-A369 VanDerWaalsContact C-N 3.34Å; K367-A369 PolarHBondContact O-N 3.35Å; A369-E371 PolarHBondContact O-N 3.4Å; A369-I372 PolarHBondContact O-N 3.39Å; A369-N373 WeakPolarHBondContact O-CB 3.32Å; A369-N373 PolarHBondContact O-N 3.34Å
370	R	97.4	Very high	94.7	Very high	62 Å²	62	43.1 Å²	43.1	23%	0.234	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.5	-173	-177.7	61.8	-132	-4.9	112.3	E28 F70 H366 K367 V368 N373 K374	E28-R370 IonicContact OE1-CZ 3Å; E28-R370 IonicContact OE1-NH1 2.81Å; E28-R370 PolarHBondContact OE1-NH1 3.39Å; E28-R370 IonicContact OE1-NH2 3.9Å; E28-R370 PolarHBondContact OE1-NH2 3.1Å; E28-R370 IonicContact OE2-CZ 3.88Å; E28-R370 IonicContact OE2-NH2 3.17Å; E28-R370 PolarHBondContact OE2-NH2 3.09Å; F70-R370 HydrophobicContact CE1-CB 3.98Å; F70-R370 HydrophobicContact CE1-CG 3.94Å; F70-R370 HydrophobicContact CE2-CB 3.96Å; F70-R370 VanDerWaalsContact CZ-CA 3.49Å; F70-R370 HydrophobicContact CZ-CB 3.4Å; F70-R370 HydrophobicContact CZ-CG 3.77Å; H366-R370 WeakPolarHBondContact O-CB 3.23Å; H366-R370 PolarHBondContact O-N 2.69Å; K367-R370 WeakPolarHBondContact O-CB 3.43Å; K367-R370 PolarHBondContact O-N 3.06Å; V368-R370 PolarHBondContact O-N 2.91Å; R370-N373 PolarHBondContact O-N 3.16Å; R370-K374 WeakPolarHBondContact O-CG 3.47Å; R370-K374 PolarHBondContact O-N 3.33Å
371	E	98	Very high	94.6	Very high	41 Å²	41	44.8 Å²	44.8	19%	0.192	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-45.4	-179.8	-73.4	171.3	172.1	0	0	111.2	C336 G337 K367 V368 A369 N373 K374 L375	C336-E371 WeakPolarHBondContact CA-OE2 3.32Å; C336-E371 WeakPolarHBondContact CB-OE2 3.4Å; G337-E371 PolarHBondContact N-OE2 2.98Å; K367-E371 WeakPolarHBondContact CE-OE1 3.36Å; K367-E371 WeakPolarHBondContact O-CG 3.43Å; K367-E371 PolarHBondContact O-N 3.32Å; V368-E371 PolarHBondContact O-N 3.15Å; A369-E371 PolarHBondContact O-N 3.4Å; E371-N373 VanDerWaalsContact C-N 3.32Å; E371-N373 PolarHBondContact O-N 3.04Å; E371-K374 PolarHBondContact O-N 2.91Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.12Å; E371-L375 PolarHBondContact O-N 2.97Å
372	I	97.5	Very high	94.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-43.7	174.1	-66.2	173.1	0	0	0	111.3	L73 I86 G337 A340 L344 V368 A369 K374 L375 K376	L73-I372 HydrophobicContact CD1-CB 4.38Å; L73-I372 HydrophobicContact CD1-CG2 4.36Å; L73-I372 HydrophobicContact CD2-CG2 3.91Å; I86-I372 HydrophobicContact CD1-CD1 3.59Å; G337-I372 WeakPolarHBondContact O-CG1 3.49Å; A340-I372 HydrophobicContact CB-CD1 3.42Å; A340-I372 VanDerWaalsContact CB-CD1 3.42Å; A340-I372 HydrophobicContact CB-CG1 4.1Å; L344-I372 HydrophobicContact CD1-CD1 4.36Å; V368-I372 HydrophobicContact CG1-CD1 4.14Å; V368-I372 WeakPolarHBondContact O-CG1 3.1Å; V368-I372 PolarHBondContact O-N 3.15Å; A369-I372 PolarHBondContact O-N 3.39Å; I372-K374 VanDerWaalsContact C-N 3.28Å; I372-K374 PolarHBondContact O-N 3.1Å; I372-L375 PolarHBondContact O-N 3.35Å; I372-K376 HydrophobicContact CG2-CD 4.14Å; I372-K376 HydrophobicContact CG2-CG 4.24Å; I372-K376 WeakPolarHBondContact O-CB 3.08Å; I372-K376 WeakPolarHBondContact O-CG 3.5Å; I372-K376 PolarHBondContact O-N 2.88Å
373	N	96.5	Very high	94.4	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-42.7	178.5	-176.7	78.2	0	0	0	111.2	F70 L73 A369 R370 E371 M377	F70-N373 HydrophobicContact CB-CB 4.31Å; F70-N373 HydrophobicContact CD1-CB 4Å; F70-N373 HydrophobicContact CG-CB 4.2Å; L73-N373 HydrophobicContact CD1-CB 3.92Å; L73-N373 HydrophobicContact CG-CB 4.18Å; A369-N373 WeakPolarHBondContact O-CB 3.32Å; A369-N373 PolarHBondContact O-N 3.34Å; R370-N373 PolarHBondContact O-N 3.16Å; E371-N373 VanDerWaalsContact C-N 3.32Å; E371-N373 PolarHBondContact O-N 3.04Å; N373-M377 WeakPolarHBondContact ND2-CE 3.49Å; N373-M377 VanDerWaalsContact O-CG 3.29Å; N373-M377 WeakPolarHBondContact O-CG 3.45Å; N373-M377 PolarHBondContact O-N 3.24Å
374	K	96.8	Very high	94.2	Very high	126 Å²	126	52.3 Å²	52.3	55%	0.548	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-48.7	175.4	-71.6	178.6	178.4	-173.7	0	112	R370 E371 I372 K376 M377 T378	R370-K374 WeakPolarHBondContact O-CG 3.47Å; R370-K374 PolarHBondContact O-N 3.33Å; E371-K374 PolarHBondContact O-N 2.91Å; I372-K374 VanDerWaalsContact C-N 3.28Å; I372-K374 PolarHBondContact O-N 3.1Å; K374-K376 VanDerWaalsContact C-N 3.31Å; K374-K376 PolarHBondContact O-N 3.21Å; K374-M377 PolarHBondContact O-N 2.75Å; K374-M377 VanDerWaalsContact O-N 3.09Å; K374-T378 PolarHBondContact O-N 3.11Å; K374-T378 PolarHBondContact O-OG1 2.93Å
375	L	96.6	Very high	94	Very high	44 Å²	44	55.7 Å²	55.7	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-40.4	-179	-69.8	167	0	0	0	112.3	E338 L341 E371 I372 M377 T378 S379	E338-L375 HydrophobicContact CB-CD1 4.49Å; E338-L375 HydrophobicContact CG-CD1 3.91Å; E338-L375 HydrophobicContact CG-CD2 4.45Å; L341-L375 HydrophobicContact CD2-CB 3.87Å; L341-L375 HydrophobicContact CD2-CD1 4.06Å; E371-L375 VanDerWaalsContact O-CG 3.3Å; E371-L375 WeakPolarHBondContact O-CG 3.12Å; E371-L375 PolarHBondContact O-N 2.97Å; I372-L375 PolarHBondContact O-N 3.35Å; L375-M377 VanDerWaalsContact C-N 3.32Å; L375-M377 PolarHBondContact O-N 3.35Å; L375-T378 PolarHBondContact O-N 2.76Å; L375-T378 PolarHBondContact O-OG1 3.37Å; L375-S379 PolarHBondContact O-N 3.37Å
376	K	92.3	Very high	93.8	Very high	102 Å²	102	59.7 Å²	59.7	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-71.1	-21.9	177	-74.5	-169.1	174.1	-168.1	0	114.5	L73 L341 I372 K374 S379	L73-K376 HydrophobicContact CD2-CD 4.04Å; L341-K376 HydrophobicContact CD1-CG 4.47Å; I372-K376 HydrophobicContact CG2-CD 4.14Å; I372-K376 HydrophobicContact CG2-CG 4.24Å; I372-K376 WeakPolarHBondContact O-CB 3.08Å; I372-K376 WeakPolarHBondContact O-CG 3.5Å; I372-K376 PolarHBondContact O-N 2.88Å; K374-K376 VanDerWaalsContact C-N 3.31Å; K374-K376 PolarHBondContact O-N 3.21Å; K376-S379 PolarHBondContact O-OG 3.35Å
377	M	88	Confident	93.6	Very high	124 Å²	124	62.2 Å²	62.2	61%	0.611	32%	0.324	S	S	*	.	H	α-helix	trans	-81.8	-18.8	175.6	-74.4	176.2	173	0	0	112.4	Q72 N373 K374 L375	Q72-M377 HydrophobicContact CG-CE 4.42Å; N373-M377 WeakPolarHBondContact ND2-CE 3.49Å; N373-M377 VanDerWaalsContact O-CG 3.29Å; N373-M377 WeakPolarHBondContact O-CG 3.45Å; N373-M377 PolarHBondContact O-N 3.24Å; K374-M377 PolarHBondContact O-N 2.75Å; K374-M377 VanDerWaalsContact O-N 3.09Å; L375-M377 VanDerWaalsContact C-N 3.32Å; L375-M377 PolarHBondContact O-N 3.35Å
378	T	85.7	Confident	93.2	Very high	119 Å²	119	65.3 Å²	65.3	73%	0.73	34%	0.342	S	S	*	.	H	α-helix	trans	-101.5	-14.9	-178.4	52.5	0	0	0	0	114.3	K374 L375	K374-T378 PolarHBondContact O-N 3.11Å; K374-T378 PolarHBondContact O-OG1 2.93Å; L375-T378 PolarHBondContact O-N 2.76Å; L375-T378 PolarHBondContact O-OG1 3.37Å
379	S	74	Confident	92.8	Very high	143 Å²	143	71.2 Å²	71.2	100%	1	37%	0.374	S	S	*	.			trans	-85.9	0	172.8	63.6	0	0	0	0	110.8	L375 K376	L375-S379 PolarHBondContact O-N 3.37Å; K376-S379 PolarHBondContact O-OG 3.35Å

Retrieved 379 of 379 residues in 185.7 ms (Link to these results)

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