A0A087XX36_POEFO Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB , UniProt , Accession A0A087XX36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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	86.3	Confident	92.7	Very high	44 Å²	44	70.4 Å²	70.4	22%	0.217	37%	0.372	C	S	.	.				0	-61.9	0	-169.5	175	-64.4	0	0	112.7	E4 F5 M233 V242 I244 Y269 I272 I273	M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 3.15Å; M1-F5 WeakPolarHBondContact O-CB 3.46Å; M1-F5 PolarHBondContact O-N 3.41Å; M1-M233 HydrophobicContact CE-CE 3.07Å; M1-M233 HydrophobicContact SD-CE 3.63Å; M1-V242 WeakPolarHBondContact CE-O 3.42Å; M1-I244 HydrophobicContact CE-CD1 3.36Å; M1-I244 HydrophobicContact CE-CG1 3.54Å; M1-I244 HydrophobicContact CG-CD1 4.06Å; M1-I244 HydrophobicContact SD-CD1 3.54Å; M1-I244 VanDerWaalsContact SD-CD1 3.54Å; M1-I244 HydrophobicContact SD-CG1 4.38Å; M1-Y269 HydrophobicContact CG-CD1 4.5Å; M1-I272 HydrophobicContact CE-CG2 4.11Å; M1-I272 HydrophobicContact SD-CB 4.46Å; M1-I272 HydrophobicContact SD-CG2 3.63Å; M1-I273 HydrophobicContact CG-CD1 4.21Å; M1-I273 HydrophobicContact CG-CG1 3.84Å; M1-I273 HydrophobicContact SD-CG1 3.87Å
2	E	89	Confident	92.9	Very high	96 Å²	96	69.3 Å²	69.3	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-48.3	179.7	-67.9	-174.9	158.8	0	0	112.2	E4 F5 E6 I273 K277	E2-E4 PolarHBondContact O-N 3.3Å; E2-F5 WeakPolarHBondContact O-CB 3.49Å; E2-F5 PolarHBondContact O-N 3.09Å; E2-E6 WeakPolarHBondContact O-CG 3.49Å; E2-E6 PolarHBondContact O-N 3.09Å; E2-I273 HydrophobicContact CG-CD1 4.3Å; E2-I273 HydrophobicContact CG-CG1 4.2Å; E2-I273 HydrophobicContact CG-CG2 3.77Å; E2-I273 WeakPolarHBondContact OE1-CG2 3.46Å; E2-K277 WeakPolarHBondContact OE1-CE 3.46Å; E2-K277 IonicContact OE1-NZ 3.02Å
3	Q	90.5	Very high	93.2	Very high	116 Å²	116	72.8 Å²	72.8	54%	0.542	40%	0.399	S	S	.	.	H	α-helix	trans	-59	-44.3	174.2	-171.4	64.2	57.5	0	0	112.7	F5 E6 D7	Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 3.37Å; Q3-E6 PolarHBondContact O-N 2.92Å; Q3-D7 PolarHBondContact NE2-OD1 3.2Å; Q3-D7 WeakPolarHBondContact O-CB 3.37Å; Q3-D7 PolarHBondContact O-N 3.3Å
4	E	90.7	Very high	93.5	Very high	58 Å²	58	68.7 Å²	68.7	27%	0.271	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-43.6	176.8	179.9	-165.3	167.2	0	0	110.9	M1 E2 D7 I8 Q245 Y269	M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 3.15Å; E2-E4 PolarHBondContact O-N 3.3Å; E4-D7 PolarHBondContact O-N 3.27Å; E4-I8 HydrophobicContact CG-CD1 3.84Å; E4-I8 VanDerWaalsContact O-CD1 3.3Å; E4-I8 WeakPolarHBondContact O-CD1 3.46Å; E4-I8 WeakPolarHBondContact O-CG1 3.29Å; E4-I8 PolarHBondContact O-N 2.98Å; E4-Q245 PolarHBondContact OE1-NE2 3.48Å; E4-Y269 PolarHBondContact OE1-OH 3.38Å
5	F	93.9	Very high	93.8	Very high	28 Å²	28	70.3 Å²	70.3	12%	0.123	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-50.9	175.5	175.8	-89.6	0	0	0	111.2	M1 E2 Q3 D7 I8 D9 W14 R266 Y269 M270 I273	M1-F5 WeakPolarHBondContact O-CB 3.46Å; M1-F5 PolarHBondContact O-N 3.41Å; E2-F5 WeakPolarHBondContact O-CB 3.49Å; E2-F5 PolarHBondContact O-N 3.09Å; Q3-F5 VanDerWaalsContact C-N 3.3Å; Q3-F5 PolarHBondContact O-N 3.37Å; F5-D7 VanDerWaalsContact C-N 3.31Å; F5-D7 PolarHBondContact O-N 3.22Å; F5-I8 PolarHBondContact O-N 3Å; F5-D9 HydrophobicContact CE1-CB 4.29Å; F5-D9 VanDerWaalsContact O-CB 3.28Å; F5-D9 WeakPolarHBondContact O-CB 3.45Å; F5-D9 PolarHBondContact O-N 3.28Å; F5-W14 AromaticContact CD2-CH2 3.64Å; F5-W14 HydrophobicContact CD2-CH2 3.64Å; F5-W14 AromaticContact CD2-CZ2 3.4Å; F5-W14 HydrophobicContact CD2-CZ2 3.4Å; F5-W14 AromaticContact CE2-CH2 3.98Å; F5-W14 HydrophobicContact CE2-CH2 3.98Å; F5-W14 AromaticContact CE2-CZ2 3.46Å; F5-W14 HydrophobicContact CE2-CZ2 3.46Å; F5-W14 VanDerWaalsContact CE2-CZ2 3.46Å; F5-W14 HydrophobicContact CG-CZ2 4.29Å; F5-W14 HydrophobicContact CZ-CZ2 4.37Å; F5-R266 HydrophobicContact CE2-CG 4.04Å; F5-R266 HydrophobicContact CZ-CG 4.49Å; F5-Y269 HydrophobicContact CB-CD1 4.44Å; F5-Y269 HydrophobicContact CD2-CD1 4.39Å; F5-Y269 HydrophobicContact CD2-CG 4.39Å; F5-M270 HydrophobicContact CE2-CG 3.49Å; F5-M270 VanDerWaalsContact CE2-CG 3.49Å; F5-M270 HydrophobicContact CZ-CG 3.48Å; F5-M270 VanDerWaalsContact CZ-CG 3.48Å; F5-M270 HydrophobicContact CZ-SD 4.25Å; F5-I273 HydrophobicContact CB-CD1 3.68Å; F5-I273 HydrophobicContact CD1-CD1 4.4Å; F5-I273 HydrophobicContact CD2-CD1 4.19Å; F5-I273 HydrophobicContact CG-CD1 3.83Å
6	E	94.8	Very high	94.1	Very high	110 Å²	110	71.8 Å²	71.8	51%	0.514	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-40.5	178.9	-71.9	179.2	-177.3	0	0	112.2	E2 Q3 D9 S10	E2-E6 WeakPolarHBondContact O-CG 3.49Å; E2-E6 PolarHBondContact O-N 3.09Å; Q3-E6 PolarHBondContact O-N 2.92Å; E6-D9 PolarHBondContact O-N 3.17Å; E6-S10 WeakPolarHBondContact O-CB 3.39Å; E6-S10 PolarHBondContact O-N 2.81Å; E6-S10 PolarHBondContact O-OG 3.18Å
7	D	94.6	Very high	94.3	Very high	84 Å²	84	68.6 Å²	68.6	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-43.7	177.9	-68.4	-13.9	0	0	0	111.3	Q3 E4 F5 S10 S11	Q3-D7 PolarHBondContact NE2-OD1 3.2Å; Q3-D7 WeakPolarHBondContact O-CB 3.37Å; Q3-D7 PolarHBondContact O-N 3.3Å; E4-D7 PolarHBondContact O-N 3.27Å; F5-D7 VanDerWaalsContact C-N 3.31Å; F5-D7 PolarHBondContact O-N 3.22Å; D7-S10 PolarHBondContact O-OG 2.93Å; D7-S11 VanDerWaalsContact O-CB 3.28Å; D7-S11 WeakPolarHBondContact O-CB 3.26Å; D7-S11 PolarHBondContact O-N 3.02Å; D7-S11 PolarHBondContact O-OG 3.31Å
8	I	94.9	Very high	94.5	Very high	20 Å²	20	65.9 Å²	65.9	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-68.3	-41.9	177.3	-62	158.5	0	0	0	110.5	E4 F5 S11 G12 K13 W14 L17	E4-I8 HydrophobicContact CG-CD1 3.84Å; E4-I8 VanDerWaalsContact O-CD1 3.3Å; E4-I8 WeakPolarHBondContact O-CD1 3.46Å; E4-I8 WeakPolarHBondContact O-CG1 3.29Å; E4-I8 PolarHBondContact O-N 2.98Å; F5-I8 PolarHBondContact O-N 3Å; I8-S11 PolarHBondContact O-N 2.85Å; I8-S11 PolarHBondContact O-OG 3.34Å; I8-G12 PolarHBondContact O-N 3.39Å; I8-K13 HydrophobicContact CG2-CB 4.22Å; I8-K13 PolarHBondContact O-N 2.9Å; I8-W14 HydrophobicContact CB-CH2 4.45Å; I8-W14 HydrophobicContact CB-CZ2 4.12Å; I8-W14 HydrophobicContact CD1-CH2 4.24Å; I8-W14 HydrophobicContact CD1-CZ3 4.4Å; I8-W14 HydrophobicContact CG2-CD2 3.51Å; I8-W14 HydrophobicContact CG2-CE3 3.87Å; I8-W14 HydrophobicContact CG2-CG 3.86Å; I8-W14 HydrophobicContact CG2-CH2 4.22Å; I8-W14 HydrophobicContact CG2-CZ2 3.9Å; I8-W14 HydrophobicContact CG2-CZ3 4.21Å; I8-L17 HydrophobicContact CD1-CD2 3.65Å
9	D	94.6	Very high	94.7	Very high	59 Å²	59	65.4 Å²	65.4	32%	0.316	35%	0.35	S	S	.	.	H	α-helix	trans	-70.3	-48.2	-174.9	-149.1	44.4	0	0	0	111.7	F5 E6 S11 G12 W14 R266	F5-D9 HydrophobicContact CE1-CB 4.29Å; F5-D9 VanDerWaalsContact O-CB 3.28Å; F5-D9 WeakPolarHBondContact O-CB 3.45Å; F5-D9 PolarHBondContact O-N 3.28Å; E6-D9 PolarHBondContact O-N 3.17Å; D9-S11 PolarHBondContact O-N 3.47Å; D9-G12 PolarHBondContact O-N 3.01Å; D9-G12 VanDerWaalsContact O-N 3.16Å; D9-W14 PolarHBondContact OD1-NE1 3.19Å; D9-R266 IonicContact OD1-CZ 3.42Å; D9-R266 IonicContact OD1-NE 3.35Å; D9-R266 PolarHBondContact OD1-NE 3.06Å; D9-R266 IonicContact OD1-NH2 3.74Å; D9-R266 PolarHBondContact OD1-NH2 2.75Å; D9-R266 IonicContact OD2-CZ 3.55Å; D9-R266 IonicContact OD2-NE 2.79Å; D9-R266 IonicContact OD2-NH2 3.15Å; D9-R266 PolarHBondContact OD2-NH2 3.47Å
10	S	95.7	Very high	94.8	Very high	104 Å²	104	66.2 Å²	66.2	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-29.9	177.1	61.7	0	0	0	0	112.9	E6 D7	E6-S10 WeakPolarHBondContact O-CB 3.39Å; E6-S10 PolarHBondContact O-N 2.81Å; E6-S10 PolarHBondContact O-OG 3.18Å; D7-S10 PolarHBondContact O-OG 2.93Å
11	S	95.1	Very high	95	Very high	55 Å²	55	63 Å²	63	39%	0.385	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.9	178.1	67.8	0	0	0	0	114.4	D7 I8 D9 K13	D7-S11 VanDerWaalsContact O-CB 3.28Å; D7-S11 WeakPolarHBondContact O-CB 3.26Å; D7-S11 PolarHBondContact O-N 3.02Å; D7-S11 PolarHBondContact O-OG 3.31Å; I8-S11 PolarHBondContact O-N 2.85Å; I8-S11 PolarHBondContact O-OG 3.34Å; D9-S11 PolarHBondContact O-N 3.47Å; S11-K13 VanDerWaalsContact C-N 3.28Å; S11-K13 PolarHBondContact O-N 3.45Å; S11-K13 VanDerWaalsContact OG-CD 3.25Å; S11-K13 WeakPolarHBondContact OG-CD 3.4Å; S11-K13 VanDerWaalsContact OG-CG 3.3Å; S11-K13 WeakPolarHBondContact OG-CG 3.45Å
12	G	95	Very high	95.5	Very high	57 Å²	57	68.6 Å²	68.6	59%	0.588	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	27.4	179.4	0	0	0	0	0	114.3	I8 D9	I8-G12 PolarHBondContact O-N 3.39Å; D9-G12 PolarHBondContact O-N 3.01Å; D9-G12 VanDerWaalsContact O-N 3.16Å
13	K	96.9	Very high	95.9	Very high	115 Å²	115	70.1 Å²	70.1	50%	0.5	37%	0.367	S	S	.	.			trans	-92.8	10.4	-169.2	-72.8	-179.6	-170.6	166.5	0	115.4	I8 S11 Q15 N16 L17	I8-K13 HydrophobicContact CG2-CB 4.22Å; I8-K13 PolarHBondContact O-N 2.9Å; S11-K13 VanDerWaalsContact C-N 3.28Å; S11-K13 PolarHBondContact O-N 3.45Å; S11-K13 VanDerWaalsContact OG-CD 3.25Å; S11-K13 WeakPolarHBondContact OG-CD 3.4Å; S11-K13 VanDerWaalsContact OG-CG 3.3Å; S11-K13 WeakPolarHBondContact OG-CG 3.45Å; K13-Q15 VanDerWaalsContact C-N 3.27Å; K13-Q15 PolarHBondContact O-N 3.25Å; K13-N16 WeakPolarHBondContact O-CB 3.39Å; K13-N16 PolarHBondContact O-N 2.8Å; K13-L17 PolarHBondContact O-N 2.81Å
14	W	97.6	Very high	96.3	Very high	16 Å²	16	70.1 Å²	70.1	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-55.5	-39.6	179.5	-72.9	110	0	0	0	113.6	F5 I8 D9 N16 L17 Y18 P262 L265 R266 Y269	F5-W14 AromaticContact CD2-CH2 3.64Å; F5-W14 HydrophobicContact CD2-CH2 3.64Å; F5-W14 AromaticContact CD2-CZ2 3.4Å; F5-W14 HydrophobicContact CD2-CZ2 3.4Å; F5-W14 AromaticContact CE2-CH2 3.98Å; F5-W14 HydrophobicContact CE2-CH2 3.98Å; F5-W14 AromaticContact CE2-CZ2 3.46Å; F5-W14 HydrophobicContact CE2-CZ2 3.46Å; F5-W14 VanDerWaalsContact CE2-CZ2 3.46Å; F5-W14 HydrophobicContact CG-CZ2 4.29Å; F5-W14 HydrophobicContact CZ-CZ2 4.37Å; I8-W14 HydrophobicContact CB-CH2 4.45Å; I8-W14 HydrophobicContact CB-CZ2 4.12Å; I8-W14 HydrophobicContact CD1-CH2 4.24Å; I8-W14 HydrophobicContact CD1-CZ3 4.4Å; I8-W14 HydrophobicContact CG2-CD2 3.51Å; I8-W14 HydrophobicContact CG2-CE3 3.87Å; I8-W14 HydrophobicContact CG2-CG 3.86Å; I8-W14 HydrophobicContact CG2-CH2 4.22Å; I8-W14 HydrophobicContact CG2-CZ2 3.9Å; I8-W14 HydrophobicContact CG2-CZ3 4.21Å; D9-W14 PolarHBondContact OD1-NE1 3.19Å; W14-N16 VanDerWaalsContact C-N 3.33Å; W14-N16 PolarHBondContact O-N 3.05Å; W14-L17 HydrophobicContact CE3-CD2 4.38Å; W14-L17 HydrophobicContact CZ3-CD2 4.15Å; W14-Y18 VanDerWaalsContact O-CB 3.25Å; W14-Y18 WeakPolarHBondContact O-CB 3.19Å; W14-Y18 PolarHBondContact O-N 2.78Å; W14-P262 HydrophobicContact CB-CB 4.12Å; W14-L265 HydrophobicContact CE3-CD2 4.44Å; W14-L265 HydrophobicContact CE3-CG 4.36Å; W14-L265 HydrophobicContact CZ3-CG 4.23Å; W14-R266 HydrophobicContact CD2-CB 3.64Å; W14-R266 HydrophobicContact CD2-CG 3.94Å; W14-R266 VanDerWaalsContact CE2-CG 3.49Å; W14-R266 HydrophobicContact CE3-CB 3.88Å; W14-R266 HydrophobicContact CG-CB 4.11Å; W14-R266 HydrophobicContact CG-CG 4.37Å; W14-R266 HydrophobicContact CH2-CB 4.36Å; W14-R266 HydrophobicContact CH2-CG 4.4Å; W14-R266 HydrophobicContact CZ2-CB 4.13Å; W14-R266 HydrophobicContact CZ2-CG 3.77Å; W14-R266 HydrophobicContact CZ3-CB 4.23Å; W14-Y269 HydrophobicContact CH2-CD1 4.17Å; W14-Y269 HydrophobicContact CH2-CD2 4.02Å; W14-Y269 AromaticContact CH2-CG 3.81Å; W14-Y269 HydrophobicContact CH2-CG 3.81Å; W14-Y269 AromaticContact CZ3-CD2 3.91Å; W14-Y269 HydrophobicContact CZ3-CD2 3.91Å; W14-Y269 HydrophobicContact CZ3-CE2 4.2Å; W14-Y269 HydrophobicContact CZ3-CG 4.19Å
15	Q	97.9	Very high	96.6	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-39.1	177.3	-177.6	62.4	74.8	0	0	112.1	K13 N19 P262	K13-Q15 VanDerWaalsContact C-N 3.27Å; K13-Q15 PolarHBondContact O-N 3.25Å; Q15-N19 PolarHBondContact NE2-ND2 2.6Å; Q15-N19 PolarHBondContact NE2-OD1 3.45Å; Q15-N19 VanDerWaalsContact NE2-OD1 3.11Å; Q15-N19 WeakPolarHBondContact O-CB 3.14Å; Q15-N19 PolarHBondContact O-N 3.45Å; Q15-N19 PolarHBondContact O-ND2 2.72Å; Q15-P262 HydrophobicContact CB-CG 4.36Å; Q15-P262 VanDerWaalsContact OE1-CG 3.3Å
16	N	97.8	Very high	96.6	Very high	93 Å²	93	71.7 Å²	71.7	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-52	179.1	-64.8	38	0	0	0	109.9	K13 W14 Y18 N19 D20	K13-N16 WeakPolarHBondContact O-CB 3.39Å; K13-N16 PolarHBondContact O-N 2.8Å; W14-N16 VanDerWaalsContact C-N 3.33Å; W14-N16 PolarHBondContact O-N 3.05Å; N16-Y18 VanDerWaalsContact C-N 3.3Å; N16-Y18 PolarHBondContact O-N 3.34Å; N16-N19 WeakPolarHBondContact O-CB 3.47Å; N16-N19 PolarHBondContact O-N 3.09Å; N16-D20 VanDerWaalsContact O-CG 3.27Å; N16-D20 PolarHBondContact O-N 2.87Å
17	L	97.6	Very high	96.6	Very high	18 Å²	18	72.7 Å²	72.7	9%	0.094	39%	0.387	C	S	.	.	H	α-helix	trans	-57.5	-44.7	178	176.4	59.1	0	0	0	111.9	I8 K13 W14 N19 D20 I21 Q245 L265	I8-L17 HydrophobicContact CD1-CD2 3.65Å; K13-L17 PolarHBondContact O-N 2.81Å; W14-L17 HydrophobicContact CE3-CD2 4.38Å; W14-L17 HydrophobicContact CZ3-CD2 4.15Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.14Å; L17-D20 PolarHBondContact O-N 2.96Å; L17-I21 HydrophobicContact CD1-CD1 4.1Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CG-CD1 4.14Å; L17-I21 WeakPolarHBondContact O-CG1 3.18Å; L17-I21 PolarHBondContact O-N 3.44Å; L17-Q245 VanDerWaalsContact CD1-CD 3.46Å; L17-Q245 HydrophobicContact CD1-CG 4.29Å; L17-Q245 VanDerWaalsContact CD1-OE1 3.26Å; L17-L265 HydrophobicContact CD2-CD2 4.1Å; L17-L265 HydrophobicContact CG-CD2 4Å
18	Y	98.1	Very high	96.8	Very high	20 Å²	20	72 Å²	72	8%	0.078	38%	0.378	C	S	.	.	H	α-helix	trans	-58.2	-43.4	176.1	176.4	-97.1	0	0	0	112.3	W14 N16 R22 I259 Q260 P262	W14-Y18 VanDerWaalsContact O-CB 3.25Å; W14-Y18 WeakPolarHBondContact O-CB 3.19Å; W14-Y18 PolarHBondContact O-N 2.78Å; N16-Y18 VanDerWaalsContact C-N 3.3Å; N16-Y18 PolarHBondContact O-N 3.34Å; Y18-R22 WeakPolarHBondContact O-CB 3.37Å; Y18-R22 PolarHBondContact O-N 2.69Å; Y18-I259 HydrophobicContact CE2-CG2 4.27Å; Y18-I259 WeakPolarHBondContact CE2-O 3.38Å; Y18-I259 PolarHBondContact OH-O 3.03Å; Y18-Q260 VanDerWaalsContact OH-C 3.32Å; Y18-Q260 PolarHBondContact OH-O 3.46Å; Y18-P262 HydrophobicContact CD1-CG 4.13Å; Y18-P262 HydrophobicContact CG-CG 4.05Å
19	N	98.1	Very high	97	Very high	56 Å²	56	74.6 Å²	74.6	30%	0.299	40%	0.397	S	S	.	.	H	α-helix	trans	-67.1	-38.7	177.1	-71.2	-22	0	0	0	111.7	Q15 N16 L17 R22 N23	Q15-N19 PolarHBondContact NE2-ND2 2.6Å; Q15-N19 PolarHBondContact NE2-OD1 3.45Å; Q15-N19 VanDerWaalsContact NE2-OD1 3.11Å; Q15-N19 WeakPolarHBondContact O-CB 3.14Å; Q15-N19 PolarHBondContact O-N 3.45Å; Q15-N19 PolarHBondContact O-ND2 2.72Å; N16-N19 WeakPolarHBondContact O-CB 3.47Å; N16-N19 PolarHBondContact O-N 3.09Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.14Å; N19-R22 WeakPolarHBondContact O-CB 3.37Å; N19-R22 PolarHBondContact O-N 2.85Å; N19-N23 WeakPolarHBondContact O-CB 3.38Å; N19-N23 PolarHBondContact O-N 3.02Å; N19-N23 PolarHBondContact O-ND2 3.31Å
20	D	97.9	Very high	97.1	Very high	81 Å²	81	74.8 Å²	74.8	43%	0.433	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-44.8	178	-66.7	-23.1	0	0	0	111.3	N16 L17 R22 N23 Q24	N16-D20 VanDerWaalsContact O-CG 3.27Å; N16-D20 PolarHBondContact O-N 2.87Å; L17-D20 PolarHBondContact O-N 2.96Å; D20-R22 VanDerWaalsContact C-N 3.31Å; D20-R22 PolarHBondContact O-N 2.9Å; D20-N23 PolarHBondContact O-N 2.82Å; D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 VanDerWaalsContact O-CG 3.31Å; D20-Q24 WeakPolarHBondContact O-CG 3.42Å; D20-Q24 PolarHBondContact O-N 2.99Å; D20-Q24 PolarHBondContact O-NE2 2.82Å
21	I	97.9	Very high	97.3	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-39.4	174.3	-64	171.5	0	0	0	110.6	L17 N23 Q24 A25 Q245 L248 L249 L265	L17-I21 HydrophobicContact CD1-CD1 4.1Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CG-CD1 4.14Å; L17-I21 WeakPolarHBondContact O-CG1 3.18Å; L17-I21 PolarHBondContact O-N 3.44Å; I21-N23 VanDerWaalsContact C-N 3.34Å; I21-Q24 PolarHBondContact O-N 3.25Å; I21-A25 PolarHBondContact O-N 3Å; I21-A25 VanDerWaalsContact O-N 3.09Å; I21-Q245 HydrophobicContact CD1-CB 4.17Å; I21-Q245 HydrophobicContact CD1-CG 4.2Å; I21-Q245 HydrophobicContact CG1-CB 4.47Å; I21-L248 HydrophobicContact CD1-CD2 4.24Å; I21-L248 HydrophobicContact CG2-CD2 3.99Å; I21-L248 HydrophobicContact CG2-CG 4.29Å; I21-L249 HydrophobicContact CG2-CD2 3.88Å; I21-L249 HydrophobicContact CG2-CG 4.19Å; I21-L249 WeakPolarHBondContact O-CD2 3.06Å; I21-L265 HydrophobicContact CD1-CD1 4.28Å; I21-L265 HydrophobicContact CD1-CD2 3.81Å
22	R	96.9	Very high	97.4	Very high	161 Å²	161	76.3 Å²	76.3	61%	0.608	38%	0.383	S	S	*	.	H	α-helix	trans	-62.8	-40.4	175.4	-178	-179.1	175.9	-174.4	-0.2	112	Y18 N19 D20	Y18-R22 WeakPolarHBondContact O-CB 3.37Å; Y18-R22 PolarHBondContact O-N 2.69Å; N19-R22 WeakPolarHBondContact O-CB 3.37Å; N19-R22 PolarHBondContact O-N 2.85Å; D20-R22 VanDerWaalsContact C-N 3.31Å; D20-R22 PolarHBondContact O-N 2.9Å
23	N	97.5	Very high	97.6	Very high	128 Å²	128	73.6 Å²	73.6	68%	0.684	36%	0.355	S	S	*	.	H	α-helix	trans	-73.8	-29.2	-179.5	-67.3	-23.4	0	0	0	112.6	N19 D20 I21	N19-N23 WeakPolarHBondContact O-CB 3.38Å; N19-N23 PolarHBondContact O-N 3.02Å; N19-N23 PolarHBondContact O-ND2 3.31Å; D20-N23 PolarHBondContact O-N 2.82Å; I21-N23 VanDerWaalsContact C-N 3.34Å
24	Q	97.9	Very high	97.7	Very high	115 Å²	115	72.8 Å²	72.8	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-82	-20.6	176.8	-72.4	174.6	72.9	0	0	113.6	D20 I21 I26 L249	D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 VanDerWaalsContact O-CG 3.31Å; D20-Q24 WeakPolarHBondContact O-CG 3.42Å; D20-Q24 PolarHBondContact O-N 2.99Å; D20-Q24 PolarHBondContact O-NE2 2.82Å; I21-Q24 PolarHBondContact O-N 3.25Å; Q24-I26 PolarHBondContact O-N 3.21Å; Q24-L249 HydrophobicContact CB-CD1 4.34Å; Q24-L249 HydrophobicContact CB-CD2 3.88Å
25	A	96.8	Very high	97.7	Very high	33 Å²	33	75.6 Å²	75.6	27%	0.273	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-64.1	128.3	-177	0	0	0	0	0	111.6	I21 L249	I21-A25 PolarHBondContact O-N 3Å; I21-A25 VanDerWaalsContact O-N 3.09Å; A25-L249 HydrophobicContact CB-CD2 4.32Å
26	I	95.5	Very high	97.7	Very high	86 Å²	86	76.6 Å²	76.6	44%	0.441	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-76.6	134.1	178.3	-57.4	173.9	0	0	0	109.5	Q24 Y28 Y50	Q24-I26 PolarHBondContact O-N 3.21Å; I26-Y28 HydrophobicContact CB-CE2 3.94Å; I26-Y28 HydrophobicContact CG2-CD2 4.08Å; I26-Y28 HydrophobicContact CG2-CE1 4.3Å; I26-Y28 HydrophobicContact CG2-CE2 3.63Å; I26-Y50 PolarHBondContact O-OH 2.95Å
27	E	94.9	Very high	97.7	Very high	132 Å²	132	78.1 Å²	78.1	62%	0.617	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-96.8	123.3	172.2	-168.4	174.6	-179.6	0	0	110.2	Y30 Y50	E27-Y30 HydrophobicContact CG-CE1 4.13Å; E27-Y30 WeakPolarHBondContact OE1-CE1 3.46Å; E27-Y30 PolarHBondContact OE1-OH 3.12Å; E27-Y50 HydrophobicContact CG-CE1 4.47Å
28	Y	98.3	Very high	97.8	Very high	68 Å²	68	77.3 Å²	77.3	27%	0.267	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-103.8	160.9	176.5	-69.8	-85.2	0	0	0	111.4	I26 Y30 Y50 H52 E253	I26-Y28 HydrophobicContact CB-CE2 3.94Å; I26-Y28 HydrophobicContact CG2-CD2 4.08Å; I26-Y28 HydrophobicContact CG2-CE1 4.3Å; I26-Y28 HydrophobicContact CG2-CE2 3.63Å; Y28-Y30 VanDerWaalsContact O-CD1 3.25Å; Y28-Y30 WeakPolarHBondContact O-CD1 3.19Å; Y28-Y50 HydrophobicContact CD2-CD2 4.22Å; Y28-Y50 HydrophobicContact CD2-CE2 4.04Å; Y28-Y50 WeakPolarHBondContact O-CD1 3.49Å; Y28-Y50 VanDerWaalsContact O-CE1 3.24Å; Y28-Y50 WeakPolarHBondContact O-CE1 3.45Å; Y28-H52 AromaticContact CD2-NE2 3.83Å; Y28-H52 AromaticContact CG-NE2 3.58Å; Y28-E253 WeakPolarHBondContact CD2-O 3.37Å; Y28-E253 HydrophobicContact CE2-CB 3.75Å; Y28-E253 HydrophobicContact CE2-CG 4.05Å; Y28-E253 PolarHBondContact OH-OE2 3.28Å
29	P	98.4	Very high	97.7	Very high	75 Å²	75	86.1 Å²	86.1	49%	0.487	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-61.4	142.1	176.7	-23.4	34.5	0	0	0	113.3	K31 Y50 D51	P29-K31 HydrophobicContact CB-CG 4.47Å; P29-Y50 CarbonylContact O-C 3.57Å; P29-Y50 WeakPolarHBondContact O-CA 3.41Å; P29-D51 PolarHBondContact O-N 2.87Å
30	Y	98.1	Very high	97.7	Very high	64 Å²	64	88.3 Å²	88.3	25%	0.251	43%	0.428	S	S	.	.			trans	-135	42.3	174.7	44	-98.5	0	0	0	111.2	E27 Y28 V32 A33 K34 P49 Y50 D51 M256	E27-Y30 HydrophobicContact CG-CE1 4.13Å; E27-Y30 WeakPolarHBondContact OE1-CE1 3.46Å; E27-Y30 PolarHBondContact OE1-OH 3.12Å; Y28-Y30 VanDerWaalsContact O-CD1 3.25Å; Y28-Y30 WeakPolarHBondContact O-CD1 3.19Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.46Å; Y30-A33 WeakPolarHBondContact O-CB 3.38Å; Y30-A33 PolarHBondContact O-N 3.01Å; Y30-K34 HydrophobicContact CD2-CD 4.38Å; Y30-K34 HydrophobicContact CD2-CG 3.93Å; Y30-K34 VanDerWaalsContact CE2-CE 3.45Å; Y30-K34 HydrophobicContact CE2-CG 4.22Å; Y30-P49 WeakPolarHBondContact CB-O 3.13Å; Y30-Y50 AromaticContact CD1-CD1 3.82Å; Y30-Y50 HydrophobicContact CD1-CD1 3.82Å; Y30-Y50 AromaticContact CD1-CE1 3.88Å; Y30-Y50 HydrophobicContact CD1-CE1 3.88Å; Y30-Y50 HydrophobicContact CE1-CE1 4.36Å; Y30-D51 VanDerWaalsContact C-OD1 3.28Å; Y30-D51 WeakPolarHBondContact CA-OD1 3.48Å; Y30-M256 HydrophobicContact CD1-CE 3.44Å; Y30-M256 VanDerWaalsContact CD1-CE 3.44Å; Y30-M256 HydrophobicContact CE1-CE 3.58Å; Y30-M256 HydrophobicContact CG-CE 4.1Å
31	K	98.4	Very high	97.8	Very high	157 Å²	157	85 Å²	85	68%	0.683	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.1	-171.3	-62.2	179.5	-177.1	176.2	0	112	P29 A33 K34 L35 D51	P29-K31 HydrophobicContact CB-CG 4.47Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.02Å; K31-K34 PolarHBondContact O-N 2.92Å; K31-K34 VanDerWaalsContact O-N 3.09Å; K31-L35 PolarHBondContact O-N 2.86Å; K31-D51 WeakPolarHBondContact CB-OD2 3.3Å; K31-D51 VanDerWaalsContact N-CG 3.28Å; K31-D51 PolarHBondContact N-OD1 3.49Å; K31-D51 PolarHBondContact N-OD2 3.44Å
32	V	98.6	Very high	97.8	Very high	33 Å²	33	86.1 Å²	86.1	20%	0.2	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-61.2	-41	-179.1	179.4	0	0	0	0	110.5	Y30 K34 L35 N38 D51 Y64	Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.46Å; V32-K34 PolarHBondContact O-N 2.94Å; V32-L35 HydrophobicContact CG1-CD1 4.34Å; V32-L35 WeakPolarHBondContact O-CB 3.41Å; V32-L35 WeakPolarHBondContact O-CG 3.36Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-N38 PolarHBondContact O-ND2 2.78Å; V32-D51 WeakPolarHBondContact CB-OD1 3.34Å; V32-D51 WeakPolarHBondContact CG2-OD1 3.37Å; V32-D51 PolarHBondContact N-OD1 3.24Å; V32-Y64 HydrophobicContact CG1-CD2 3.79Å; V32-Y64 HydrophobicContact CG1-CE2 4.49Å
33	A	98.5	Very high	97.9	Very high	1 Å²	1	80.4 Å²	80.4	1%	0.008	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-62.9	-24.6	178.9	0	0	0	0	0	113.7	Y30 K31 N42 P49 Y64	Y30-A33 WeakPolarHBondContact O-CB 3.38Å; Y30-A33 PolarHBondContact O-N 3.01Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.02Å; A33-N42 PolarHBondContact O-ND2 3.17Å; A33-P49 HydrophobicContact CB-CG 4.48Å; A33-Y64 VanDerWaalsContact CA-CE2 3.49Å; A33-Y64 HydrophobicContact CB-CE2 3.74Å; A33-Y64 WeakPolarHBondContact CB-OH 3.46Å
34	K	98.2	Very high	97.9	Very high	98 Å²	98	77.5 Å²	77.5	43%	0.426	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-96.1	-0.8	-178.7	-58.2	-55	-171.8	-153.9	0	114	Y30 K31 V32 R45 S48	Y30-K34 HydrophobicContact CD2-CD 4.38Å; Y30-K34 HydrophobicContact CD2-CG 3.93Å; Y30-K34 VanDerWaalsContact CE2-CE 3.45Å; Y30-K34 HydrophobicContact CE2-CG 4.22Å; K31-K34 PolarHBondContact O-N 2.92Å; K31-K34 VanDerWaalsContact O-N 3.09Å; V32-K34 PolarHBondContact O-N 2.94Å; K34-R45 PolarHBondContact NZ-O 3.26Å; K34-S48 PolarHBondContact NZ-OG 3.29Å
35	L	98.4	Very high	97.9	Very high	74 Å²	74	82.8 Å²	82.8	39%	0.387	39%	0.39	S	S	.	.	S	Bend	trans	-58.1	140.1	173.5	-68.1	175	0	0	0	110.4	K31 V32 M37 N38	K31-L35 PolarHBondContact O-N 2.86Å; V32-L35 HydrophobicContact CG1-CD1 4.34Å; V32-L35 WeakPolarHBondContact O-CB 3.41Å; V32-L35 WeakPolarHBondContact O-CG 3.36Å; V32-L35 PolarHBondContact O-N 3.47Å; L35-M37 HydrophobicContact CB-CG 4.18Å; L35-M37 PolarHBondContact O-N 3.2Å; L35-M37 VanDerWaalsContact O-N 3.15Å; L35-N38 PolarHBondContact O-N 3.16Å
36	P	98.1	Very high	97.9	Very high	115 Å²	115	87.1 Å²	87.1	75%	0.747	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-53.8	-38.5	-177.4	-29.2	35.7	0	0	0	114	N38 R39	P36-N38 PolarHBondContact O-N 2.99Å; P36-R39 WeakPolarHBondContact O-CB 3.46Å; P36-R39 PolarHBondContact O-N 3.03Å
37	M	97.6	Very high	98.1	Very high	125 Å²	125	83.4 Å²	83.4	62%	0.616	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-65.1	-22	178.1	66.3	-170.3	73.1	0	0	114.1	L35 N40	L35-M37 HydrophobicContact CB-CG 4.18Å; L35-M37 PolarHBondContact O-N 3.2Å; L35-M37 VanDerWaalsContact O-N 3.15Å; M37-N40 PolarHBondContact O-OD1 3.25Å
38	N	98.5	Very high	98.3	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-96.4	-2	-178.3	-68.9	-19.9	0	0	0	112.9	V32 L35 P36 N40 L41 N42 N62 Y64	V32-N38 PolarHBondContact O-ND2 2.78Å; L35-N38 PolarHBondContact O-N 3.16Å; P36-N38 PolarHBondContact O-N 2.99Å; N38-N40 VanDerWaalsContact C-N 3.31Å; N38-N40 PolarHBondContact O-N 2.77Å; N38-L41 WeakPolarHBondContact O-CB 3.37Å; N38-L41 PolarHBondContact O-N 3.25Å; N38-N42 PolarHBondContact O-ND2 2.72Å; N38-N62 PolarHBondContact OD1-ND2 3.4Å; N38-Y64 HydrophobicContact CB-CD1 3.7Å; N38-Y64 HydrophobicContact CB-CE1 3.93Å; N38-Y64 HydrophobicContact CB-CG 4.11Å
39	R	97.8	Very high	98.3	Very high	205 Å²	205	73.9 Å²	73.9	77%	0.774	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-59.9	-40.2	-175	-174.1	178.5	176.7	-179.1	-1.5	112.6	P36 L41	P36-R39 WeakPolarHBondContact O-CB 3.46Å; P36-R39 PolarHBondContact O-N 3.03Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 2.89Å
40	N	98.1	Very high	98.3	Very high	101 Å²	101	70.7 Å²	70.7	54%	0.54	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-81.1	-1.1	178.3	66.1	-18.6	0	0	0	113.8	M37 N38 L86 N88	M37-N40 PolarHBondContact O-OD1 3.25Å; N38-N40 VanDerWaalsContact C-N 3.31Å; N38-N40 PolarHBondContact O-N 2.77Å; N40-L86 WeakPolarHBondContact O-CD1 3.36Å; N40-N88 PolarHBondContact O-ND2 3.29Å
41	L	98.6	Very high	98.3	Very high	13 Å²	13	69.6 Å²	69.6	7%	0.068	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-96.6	-4.9	174.8	-53	-179	0	0	0	111.7	N38 R39 Y64 Q83 T89	N38-L41 WeakPolarHBondContact O-CB 3.37Å; N38-L41 PolarHBondContact O-N 3.25Å; R39-L41 VanDerWaalsContact C-N 3.26Å; R39-L41 PolarHBondContact O-N 2.89Å; L41-Y64 HydrophobicContact CB-CD1 3.8Å; L41-Y64 HydrophobicContact CB-CE1 3.88Å; L41-Y64 HydrophobicContact CD1-CD1 3.76Å; L41-Y64 HydrophobicContact CG-CD1 4.4Å; L41-Q83 PolarHBondContact O-NE2 2.86Å; L41-T89 HydrophobicContact CB-CG2 4.38Å; L41-T89 HydrophobicContact CD2-CG2 3.71Å
42	N	98.8	Very high	98.4	Very high	24 Å²	24	67.2 Å²	67.2	13%	0.128	32%	0.316	C	S	.	.			trans	-107.5	123.3	179.3	-69.6	-59.8	0	0	0	111	A33 N38 Y64 N66	A33-N42 PolarHBondContact O-ND2 3.17Å; N38-N42 PolarHBondContact O-ND2 2.72Å; N42-Y64 PolarHBondContact ND2-OH 2.72Å; N42-Y64 PolarHBondContact OD1-OH 2.9Å; N42-N66 PolarHBondContact OD1-ND2 3.47Å
43	R	98.6	Very high	98.4	Very high	40 Å²	40	66 Å²	66	15%	0.151	31%	0.309	C	S	.	.	S	Bend	trans	-69.4	-38.6	176.6	-179.9	174.6	-73.7	-78.7	0.1	112	G84 P85 L86 E117 K118	R43-G84 PolarHBondContact NE-O 3.02Å; R43-G84 PolarHBondContact NH2-O 3.28Å; R43-P85 PolarHBondContact NH2-O 3.42Å; R43-L86 HydrophobicContact CB-CD2 3.97Å; R43-L86 HydrophobicContact CB-CG 4.37Å; R43-L86 HydrophobicContact CG-CD2 4.16Å; R43-E117 PolarHBondContact NH1-O 2.71Å; R43-K118 VanDerWaalsContact CZ-O 3.29Å; R43-K118 PolarHBondContact NE-O 3.01Å
44	Y	98.3	Very high	98.4	Very high	68 Å²	68	67.3 Å²	67.3	27%	0.267	31%	0.313	S	S	.	.			trans	-124.7	137.8	-178.3	-60.4	-71.8	0	0	0	110.3	D46 S214 A215	Y44-D46 VanDerWaalsContact C-N 3.28Å; Y44-D46 PolarHBondContact O-N 3.02Å; Y44-S214 PolarHBondContact OH-OG 2.99Å; Y44-A215 HydrophobicContact CD2-CB 3.66Å; Y44-A215 HydrophobicContact CE2-CB 3.71Å
45	R	97.6	Very high	98.4	Very high	225 Å²	225	63 Å²	63	85%	0.849	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.4	-176.5	-179.8	179.5	173	-172.6	-2.3	112.2	K34	K34-R45 PolarHBondContact NZ-O 3.26Å
46	D	97.6	Very high	98.4	Very high	124 Å²	124	64.8 Å²	64.8	66%	0.663	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	0.8	-173.7	58.8	-33.9	0	0	0	113.5	Y44	Y44-D46 VanDerWaalsContact C-N 3.28Å; Y44-D46 PolarHBondContact O-N 3.02Å
47	V	98.6	Very high	98.4	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	27%	0.266	C	S	.	.			trans	-121.8	115.5	176.9	-174.5	0	0	0	0	109.7	N66 A215 I217	V47-N66 PolarHBondContact O-ND2 3.47Å; V47-A215 HydrophobicContact CG1-CB 4.45Å; V47-A215 HydrophobicContact CG2-CB 4.26Å; V47-I217 HydrophobicContact CG1-CD1 4.01Å; V47-I217 HydrophobicContact CG1-CG2 3.86Å; V47-I217 HydrophobicContact CG2-CD1 3.71Å
48	S	98.7	Very high	98.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	27%	0.272	C	S	.	.			trans	-142.3	146.2	-176.2	-64.1	0	0	0	0	110.9	K34 M256	K34-S48 PolarHBondContact NZ-OG 3.29Å; S48-M256 PolarHBondContact N-SD 2.92Å; S48-M256 VanDerWaalsContact N-SD 3.38Å; S48-M256 WeakPolarHBondContact O-CE 3.42Å
49	P	98.9	Very high	97.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-73.4	145	173.2	34.4	-36.6	0	0	0	109.8	Y30 A33 R54 Y64 A67 S68	Y30-P49 WeakPolarHBondContact CB-O 3.13Å; A33-P49 HydrophobicContact CB-CG 4.48Å; P49-R54 HydrophobicContact CB-CB 3.89Å; P49-R54 HydrophobicContact CG-CB 4.08Å; P49-Y64 WeakPolarHBondContact CD-OH 3.25Å; P49-Y64 HydrophobicContact CG-CE2 3.98Å; P49-A67 WeakPolarHBondContact CB-O 3.26Å; P49-S68 WeakPolarHBondContact CB-OG 3.16Å
50	Y	98.9	Very high	97.1	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.035	27%	0.273	C	S	.	.			trans	-69.6	148.1	170.6	-59.7	-48	0	0	0	111.3	I26 E27 Y28 P29 Y30 H52 S53 R54 R252 E253 M256	I26-Y50 PolarHBondContact O-OH 2.95Å; E27-Y50 HydrophobicContact CG-CE1 4.47Å; Y28-Y50 HydrophobicContact CD2-CD2 4.22Å; Y28-Y50 HydrophobicContact CD2-CE2 4.04Å; Y28-Y50 WeakPolarHBondContact O-CD1 3.49Å; Y28-Y50 VanDerWaalsContact O-CE1 3.24Å; Y28-Y50 WeakPolarHBondContact O-CE1 3.45Å; P29-Y50 CarbonylContact O-C 3.57Å; P29-Y50 WeakPolarHBondContact O-CA 3.41Å; Y30-Y50 AromaticContact CD1-CD1 3.82Å; Y30-Y50 HydrophobicContact CD1-CD1 3.82Å; Y30-Y50 AromaticContact CD1-CE1 3.88Å; Y30-Y50 HydrophobicContact CD1-CE1 3.88Å; Y30-Y50 HydrophobicContact CE1-CE1 4.36Å; Y50-H52 VanDerWaalsContact C-N 3.26Å; Y50-H52 WeakPolarHBondContact CB-NE2 3.48Å; Y50-H52 AromaticContact CD2-NE2 3.78Å; Y50-H52 AromaticContact CG-NE2 3.96Å; Y50-H52 PolarHBondContact O-N 3.14Å; Y50-S53 PolarHBondContact O-N 2.82Å; Y50-S53 PolarHBondContact O-OG 2.88Å; Y50-R54 WeakPolarHBondContact O-CB 3.35Å; Y50-R54 PolarHBondContact O-N 2.92Å; Y50-R252 WeakPolarHBondContact CE2-O 3.45Å; Y50-E253 VanDerWaalsContact CD2-O 3.25Å; Y50-E253 WeakPolarHBondContact CD2-O 3.48Å; Y50-M256 HydrophobicContact CD1-CE 4.18Å; Y50-M256 HydrophobicContact CE1-CB 4.2Å; Y50-M256 HydrophobicContact CE1-CE 3.65Å; Y50-M256 HydrophobicContact CE2-CB 4.46Å
51	D	98.8	Very high	96.7	Very high	40 Å²	40	61.9 Å²	61.9	21%	0.214	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.3	-174.2	-66.8	-35.1	0	0	0	112.3	P29 Y30 K31 V32	P29-D51 PolarHBondContact O-N 2.87Å; Y30-D51 VanDerWaalsContact C-OD1 3.28Å; Y30-D51 WeakPolarHBondContact CA-OD1 3.48Å; K31-D51 WeakPolarHBondContact CB-OD2 3.3Å; K31-D51 VanDerWaalsContact N-CG 3.28Å; K31-D51 PolarHBondContact N-OD1 3.49Å; K31-D51 PolarHBondContact N-OD2 3.44Å; V32-D51 WeakPolarHBondContact CB-OD1 3.34Å; V32-D51 WeakPolarHBondContact CG2-OD1 3.37Å; V32-D51 PolarHBondContact N-OD1 3.24Å
52	H	98.7	Very high	96.5	Very high	108 Å²	108	63.2 Å²	63.2	50%	0.5	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-23.5	-177.7	70.1	90.9	0	0	0	113.8	Y28 Y50 E253	Y28-H52 AromaticContact CD2-NE2 3.83Å; Y28-H52 AromaticContact CG-NE2 3.58Å; Y50-H52 VanDerWaalsContact C-N 3.26Å; Y50-H52 WeakPolarHBondContact CB-NE2 3.48Å; Y50-H52 AromaticContact CD2-NE2 3.78Å; Y50-H52 AromaticContact CG-NE2 3.96Å; Y50-H52 PolarHBondContact O-N 3.14Å; H52-E253 PolarHBondContact CE1-O 3.02Å; H52-E253 PolarHBondContact NE2-O 2.66Å; H52-E253 VanDerWaalsContact NE2-O 3.16Å
53	S	98.8	Very high	96.4	Very high	8 Å²	8	64.6 Å²	64.6	6%	0.056	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-5.4	-175.4	62.3	0	0	0	0	113.3	Y50 S68 L69 Y254	Y50-S53 PolarHBondContact O-N 2.82Å; Y50-S53 PolarHBondContact O-OG 2.88Å; S53-S68 CarbonylContact O-C 3.57Å; S53-S68 WeakPolarHBondContact O-CA 3.36Å; S53-L69 PolarHBondContact O-N 3.32Å; S53-Y254 WeakPolarHBondContact CB-O 3.45Å; S53-Y254 PolarHBondContact OG-O 2.94Å
54	R	98.8	Very high	96.5	Very high	27 Å²	27	62.7 Å²	62.7	10%	0.102	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	141.6	178.9	73.2	-179.1	-175.8	90.9	-2.9	110.9	P49 Y50 K56 D63 A67	P49-R54 HydrophobicContact CB-CB 3.89Å; P49-R54 HydrophobicContact CG-CB 4.08Å; Y50-R54 WeakPolarHBondContact O-CB 3.35Å; Y50-R54 PolarHBondContact O-N 2.92Å; R54-K56 HydrophobicContact CG-CG 4.43Å; R54-D63 IonicContact CZ-OD1 3.66Å; R54-D63 IonicContact CZ-OD2 3.41Å; R54-D63 VanDerWaalsContact NH1-CG 3.28Å; R54-D63 PolarHBondContact NH1-O 3.26Å; R54-D63 IonicContact NH1-OD1 2.74Å; R54-D63 PolarHBondContact NH1-OD1 2.85Å; R54-D63 IonicContact NH1-OD2 3.14Å; R54-D63 PolarHBondContact NH1-OD2 3.31Å; R54-D63 IonicContact NH2-OD1 3.51Å; R54-D63 PolarHBondContact NH2-OD1 3.1Å; R54-D63 VanDerWaalsContact NH2-OD1 3.09Å; R54-D63 IonicContact NH2-OD2 3.95Å; R54-D63 PolarHBondContact NH2-OD2 3.09Å; R54-A67 VanDerWaalsContact CA-O 3.26Å; R54-A67 WeakPolarHBondContact CA-O 3.43Å
55	V	98.8	Very high	96.5	Very high	7 Å²	7	60 Å²	60	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.2	166.3	-173	0	0	0	0	108.4	I65 A67 I80 M96 Q100	V55-I65 HydrophobicContact CB-CG2 4.23Å; V55-A67 HydrophobicContact CB-CB 4.16Å; V55-A67 HydrophobicContact CG2-CB 3.98Å; V55-A67 PolarHBondContact N-O 2.88Å; V55-I80 HydrophobicContact CG2-CD1 4.36Å; V55-I80 HydrophobicContact CG2-CG1 4.05Å; V55-I80 HydrophobicContact CG2-CG2 3.99Å; V55-M96 HydrophobicContact CB-SD 4.27Å; V55-M96 HydrophobicContact CG1-CG 3.82Å; V55-M96 HydrophobicContact CG1-SD 4.19Å; V55-M96 HydrophobicContact CG2-SD 4.35Å; V55-Q100 HydrophobicContact CG1-CG 4.04Å
56	K	98.7	Very high	96.5	Very high	113 Å²	113	49.3 Å²	49.3	49%	0.491	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.3	177.9	-51.2	-169.7	-179.3	169.9	0	108.4	R54 D63	R54-K56 HydrophobicContact CG-CG 4.43Å; K56-D63 WeakPolarHBondContact CA-O 3.49Å; K56-D63 HydrophobicContact CB-CB 4.39Å
57	L	98.4	Very high	96.6	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.221	C	C	.	.			trans	-79.2	131.9	173.8	-55.6	175	0	0	0	108.9	A60 D63 I65 H92 L95 M96 E99	L57-A60 HydrophobicContact CB-CB 4.06Å; L57-A60 HydrophobicContact CD1-CB 4.23Å; L57-D63 PolarHBondContact N-O 3.24Å; L57-D63 WeakPolarHBondContact O-CB 3.25Å; L57-I65 HydrophobicContact CD1-CB 4.22Å; L57-I65 HydrophobicContact CD2-CB 4.45Å; L57-I65 HydrophobicContact CD2-CG2 4.03Å; L57-I65 HydrophobicContact CG-CB 4.3Å; L57-I65 HydrophobicContact CG-CG2 4.08Å; L57-H92 HydrophobicContact CD1-CB 3.81Å; L57-L95 HydrophobicContact CB-CD2 4.18Å; L57-L95 HydrophobicContact CD1-CD2 4.38Å; L57-L95 HydrophobicContact CD2-CD2 4.3Å; L57-L95 HydrophobicContact CD2-CG 4.33Å; L57-M96 HydrophobicContact CD2-CB 3.85Å; L57-E99 WeakPolarHBondContact CA-OE2 3.24Å
58	E	94.8	Very high	96.6	Very high	161 Å²	161	43 Å²	43	75%	0.752	22%	0.218	S	C	*	.	S	Bend	trans	-90.6	-35.5	-179.4	-64.5	-174	172.5	0	0	112	E99	E58-E99 PolarHBondContact N-OE1 3.41Å; E58-E99 VanDerWaalsContact N-OE1 3.14Å; E58-E99 PolarHBondContact N-OE2 3.28Å; E58-E99 VanDerWaalsContact N-OE2 3.09Å
59	N	84.8	Confident	96.6	Very high	103 Å²	103	46 Å²	46	55%	0.551	23%	0.234	S	C	*	.	S	Bend	trans	-104.7	41	-174.5	-59.7	-76.2	0	0	0	113.4	L95 E99	N59-L95 HydrophobicContact CB-CD1 4.11Å; N59-L95 HydrophobicContact CB-CD2 4.47Å; N59-E99 WeakPolarHBondContact CB-OE1 3.2Å; N59-E99 PolarHBondContact N-OE1 3.45Å; N59-E99 PolarHBondContact ND2-OE1 2.96Å
60	A	86.6	Confident	96.6	Very high	31 Å²	31	46 Å²	46	26%	0.256	23%	0.234	S	C	.	.	S	Bend	trans	-135.5	150.7	176	0	0	0	0	0	111.2	L57 N62 L95	L57-A60 HydrophobicContact CB-CB 4.06Å; L57-A60 HydrophobicContact CD1-CB 4.23Å; A60-N62 PolarHBondContact O-N 2.86Å; A60-L95 HydrophobicContact CB-CD2 4.1Å
61	D	88.9	Confident	96.5	Very high	186 Å²	186	47 Å²	47	100%	0.995	24%	0.243	S	C	*	.	S	Bend	trans	-60.6	-27.1	176.6	-67.1	-26.2	0	0	0	112.5
62	N	94.2	Very high	96.3	Very high	41 Å²	41	46 Å²	46	22%	0.219	24%	0.239	C	C	.	.	S	Bend	trans	-125.6	118.4	176.3	-179.6	-0.9	0	0	0	109	N38 A60 Y64	N38-N62 PolarHBondContact OD1-ND2 3.4Å; A60-N62 PolarHBondContact O-N 2.86Å; N62-Y64 PolarHBondContact O-N 3.06Å; N62-Y64 VanDerWaalsContact OD1-CB 3.29Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.15Å; N62-Y64 PolarHBondContact OD1-N 3.48Å; N62-Y64 VanDerWaalsContact OD1-N 3.17Å
63	D	98	Very high	96	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	25%	0.251	S	S	.	.			trans	-70.6	-0.9	-176	83	-3.8	0	0	0	114	R54 K56 L57	R54-D63 IonicContact CZ-OD1 3.66Å; R54-D63 IonicContact CZ-OD2 3.41Å; R54-D63 VanDerWaalsContact NH1-CG 3.28Å; R54-D63 PolarHBondContact NH1-O 3.26Å; R54-D63 IonicContact NH1-OD1 2.74Å; R54-D63 PolarHBondContact NH1-OD1 2.85Å; R54-D63 IonicContact NH1-OD2 3.14Å; R54-D63 PolarHBondContact NH1-OD2 3.31Å; R54-D63 IonicContact NH2-OD1 3.51Å; R54-D63 PolarHBondContact NH2-OD1 3.1Å; R54-D63 VanDerWaalsContact NH2-OD1 3.09Å; R54-D63 IonicContact NH2-OD2 3.95Å; R54-D63 PolarHBondContact NH2-OD2 3.09Å; K56-D63 WeakPolarHBondContact CA-O 3.49Å; K56-D63 HydrophobicContact CB-CB 4.39Å; L57-D63 PolarHBondContact N-O 3.24Å; L57-D63 WeakPolarHBondContact O-CB 3.25Å
64	Y	98.8	Very high	95.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126	-170.6	-176.2	-100.2	0	0	0	113.9	V32 A33 N38 L41 N42 P49 N62	V32-Y64 HydrophobicContact CG1-CD2 3.79Å; V32-Y64 HydrophobicContact CG1-CE2 4.49Å; A33-Y64 VanDerWaalsContact CA-CE2 3.49Å; A33-Y64 HydrophobicContact CB-CE2 3.74Å; A33-Y64 WeakPolarHBondContact CB-OH 3.46Å; N38-Y64 HydrophobicContact CB-CD1 3.7Å; N38-Y64 HydrophobicContact CB-CE1 3.93Å; N38-Y64 HydrophobicContact CB-CG 4.11Å; L41-Y64 HydrophobicContact CB-CD1 3.8Å; L41-Y64 HydrophobicContact CB-CE1 3.88Å; L41-Y64 HydrophobicContact CD1-CD1 3.76Å; L41-Y64 HydrophobicContact CG-CD1 4.4Å; N42-Y64 PolarHBondContact ND2-OH 2.72Å; N42-Y64 PolarHBondContact OD1-OH 2.9Å; P49-Y64 WeakPolarHBondContact CD-OH 3.25Å; P49-Y64 HydrophobicContact CG-CE2 3.98Å; N62-Y64 PolarHBondContact O-N 3.06Å; N62-Y64 VanDerWaalsContact OD1-CB 3.29Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.15Å; N62-Y64 PolarHBondContact OD1-N 3.48Å; N62-Y64 VanDerWaalsContact OD1-N 3.17Å
65	I	98.9	Very high	95.4	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.1	161.7	-173.8	165.4	0	0	0	109.1	V55 L57 A67 H92 M96	V55-I65 HydrophobicContact CB-CG2 4.23Å; L57-I65 HydrophobicContact CD1-CB 4.22Å; L57-I65 HydrophobicContact CD2-CB 4.45Å; L57-I65 HydrophobicContact CD2-CG2 4.03Å; L57-I65 HydrophobicContact CG-CB 4.3Å; L57-I65 HydrophobicContact CG-CG2 4.08Å; I65-A67 HydrophobicContact CG1-CB 4.44Å; I65-A67 HydrophobicContact CG2-CB 4.11Å; I65-A67 PolarHBondContact O-N 2.85Å; I65-H92 HydrophobicContact CD1-CB 4.18Å; I65-M96 HydrophobicContact CD1-CB 4.09Å; I65-M96 HydrophobicContact CD1-CE 4.41Å; I65-M96 HydrophobicContact CD1-SD 3.87Å; I65-M96 HydrophobicContact CG2-SD 4.19Å
66	N	98.9	Very high	95.1	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.011	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	73.7	175.7	-170.8	-38.7	0	0	0	110.7	N42 V47 T82 Q83 R255	N42-N66 PolarHBondContact OD1-ND2 3.47Å; V47-N66 PolarHBondContact O-ND2 3.47Å; N66-T82 PolarHBondContact O-OG1 3.29Å; N66-Q83 HydrophobicContact CB-CG 4.08Å; N66-Q83 PolarHBondContact ND2-OE1 3.08Å; N66-Q83 PolarHBondContact O-N 3.27Å; N66-R255 PolarHBondContact OD1-NH1 2.81Å; N66-R255 PolarHBondContact OD1-NH2 3.17Å
67	A	98.9	Very high	95	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.3	179.2	0	0	0	0	0	110.2	P49 R54 V55 I65 I80 L81 M96	P49-A67 WeakPolarHBondContact CB-O 3.26Å; R54-A67 VanDerWaalsContact CA-O 3.26Å; R54-A67 WeakPolarHBondContact CA-O 3.43Å; V55-A67 HydrophobicContact CB-CB 4.16Å; V55-A67 HydrophobicContact CG2-CB 3.98Å; V55-A67 PolarHBondContact N-O 2.88Å; I65-A67 HydrophobicContact CG1-CB 4.44Å; I65-A67 HydrophobicContact CG2-CB 4.11Å; I65-A67 PolarHBondContact O-N 2.85Å; A67-I80 HydrophobicContact CB-CG2 3.94Å; A67-L81 CarbonylContact C-O 3.5Å; A67-L81 WeakPolarHBondContact CA-O 3.49Å; A67-M96 HydrophobicContact CB-CE 4.45Å; A67-M96 HydrophobicContact CB-SD 3.48Å; A67-M96 WeakPolarHBondContact CB-SD 3.37Å
68	S	98.9	Very high	94.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132	178.4	-56.1	0	0	0	0	110.1	P49 S53 V70 I80 L81 R255	P49-S68 WeakPolarHBondContact CB-OG 3.16Å; S53-S68 CarbonylContact O-C 3.57Å; S53-S68 WeakPolarHBondContact O-CA 3.36Å; S68-V70 PolarHBondContact O-N 2.95Å; S68-I80 WeakPolarHBondContact O-CA 3.4Å; S68-L81 PolarHBondContact N-O 3.01Å; S68-L81 PolarHBondContact O-N 3.33Å; S68-R255 PolarHBondContact OG-NH1 3.44Å; S68-R255 VanDerWaalsContact OG-NH1 3.08Å
69	L	98.8	Very high	95.1	Very high	63 Å²	63	50.9 Å²	50.9	33%	0.33	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	111.4	166.6	178	61.1	0	0	0	108.6	S53 A78 I80 P208 Y254	S53-L69 PolarHBondContact O-N 3.32Å; L69-A78 HydrophobicContact CD1-CB 4.22Å; L69-I80 HydrophobicContact CD1-CG1 4.22Å; L69-P208 HydrophobicContact CD1-CB 4.06Å; L69-P208 HydrophobicContact CD1-CG 3.61Å; L69-Y254 WeakPolarHBondContact O-CD1 3.44Å
70	V	98.6	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.1	176.8	-177.2	0	0	0	0	107.8	S68 A78 Y79 L81 M251 Y254 R255	S68-V70 PolarHBondContact O-N 2.95Å; V70-A78 WeakPolarHBondContact O-CA 3.35Å; V70-Y79 PolarHBondContact N-O 2.86Å; V70-Y79 PolarHBondContact O-N 3.21Å; V70-L81 HydrophobicContact CB-CG 4.46Å; V70-L81 HydrophobicContact CG2-CB 4.33Å; V70-L81 HydrophobicContact CG2-CD1 3.83Å; V70-L81 HydrophobicContact CG2-CG 3.8Å; V70-M251 HydrophobicContact CG1-CB 4.14Å; V70-M251 HydrophobicContact CG1-CE 4.07Å; V70-M251 HydrophobicContact CG1-CG 4.17Å; V70-Y254 HydrophobicContact CG1-CD2 4.43Å; V70-Y254 HydrophobicContact CG1-CG 4.43Å; V70-R255 HydrophobicContact CG2-CB 4.18Å
71	A	96.2	Very high	96.4	Very high	28 Å²	28	44.5 Å²	44.5	23%	0.231	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	-177.1	0	0	0	0	0	110.9	A78 Y254	A71-A78 HydrophobicContact CB-CB 4.45Å; A71-Y254 HydrophobicContact CB-CE1 4.38Å; A71-Y254 WeakPolarHBondContact O-CE2 3.41Å; A71-Y254 PolarHBondContact O-OH 3.15Å
72	V	94.7	Very high	96.8	Very high	20 Å²	20	35.7 Å²	35.7	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	92.8	174.6	-171.2	0	0	0	0	108.2	E74 A75 E76 R77 T228 M251	V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 3.3Å; V72-A75 HydrophobicContact CB-CB 4.16Å; V72-A75 HydrophobicContact CG1-CB 3.91Å; V72-A75 PolarHBondContact O-N 3.28Å; V72-A75 VanDerWaalsContact O-N 3.15Å; V72-E76 PolarHBondContact O-N 3.38Å; V72-E76 VanDerWaalsContact O-N 3.14Å; V72-R77 PolarHBondContact N-O 3.49Å; V72-R77 PolarHBondContact O-N 2.96Å; V72-T228 HydrophobicContact CB-CG2 4.02Å; V72-T228 HydrophobicContact CG1-CG2 3.66Å; V72-T228 HydrophobicContact CG2-CG2 3.94Å; V72-M251 HydrophobicContact CG2-CG 3.91Å
73	K	92.4	Very high	97.1	Very high	175 Å²	175	34.1 Å²	34.1	76%	0.761	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-43	-171.7	-67.9	-178.5	179.9	177	0	113.1	A75 E76	K73-A75 VanDerWaalsContact C-N 3.27Å; K73-A75 PolarHBondContact O-N 3.04Å; K73-E76 PolarHBondContact O-N 3.32Å
74	E	91.9	Very high	97.1	Very high	149 Å²	149	31.6 Å²	31.6	70%	0.696	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-34.2	-179.7	-169.6	-179.4	176.3	0	0	112.5	V72 E76 L232 R235	V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 3.3Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-L232 HydrophobicContact CB-CD2 3.91Å; E74-L232 HydrophobicContact CG-CD2 3.64Å; E74-R235 PolarHBondContact O-NH1 2.92Å
75	A	92.8	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.7	174.7	0	0	0	0	0	113.1	V72 K73 R77 T228 V231 L232 R235	V72-A75 HydrophobicContact CB-CB 4.16Å; V72-A75 HydrophobicContact CG1-CB 3.91Å; V72-A75 PolarHBondContact O-N 3.28Å; V72-A75 VanDerWaalsContact O-N 3.15Å; K73-A75 VanDerWaalsContact C-N 3.27Å; K73-A75 PolarHBondContact O-N 3.04Å; A75-R77 HydrophobicContact CB-CB 3.96Å; A75-R77 PolarHBondContact O-N 3Å; A75-R77 VanDerWaalsContact O-N 3.17Å; A75-T228 HydrophobicContact CB-CG2 4.09Å; A75-V231 HydrophobicContact CB-CB 4.42Å; A75-V231 HydrophobicContact CB-CG1 4.01Å; A75-V231 WeakPolarHBondContact O-CG1 3.47Å; A75-L232 HydrophobicContact CB-CD2 3.83Å; A75-L232 HydrophobicContact CB-CG 4.06Å; A75-R235 VanDerWaalsContact O-CZ 3.27Å; A75-R235 PolarHBondContact O-NH2 3.14Å
76	E	93.4	Very high	97.1	Very high	132 Å²	132	32.5 Å²	32.5	62%	0.617	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	40.6	45.2	-164.4	-61.5	165.3	-176.4	0	0	111.6	V72 K73 E74 R235	V72-E76 PolarHBondContact O-N 3.38Å; V72-E76 VanDerWaalsContact O-N 3.14Å; K73-E76 PolarHBondContact O-N 3.32Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E76-R235 VanDerWaalsContact CD-NH1 3.27Å; E76-R235 VanDerWaalsContact CG-NH1 3.28Å; E76-R235 IonicContact OE1-NH1 3.82Å; E76-R235 IonicContact OE2-CZ 3.6Å; E76-R235 IonicContact OE2-NH1 2.74Å; E76-R235 PolarHBondContact OE2-NH1 3.08Å; E76-R235 IonicContact OE2-NH2 2.92Å; E76-R235 PolarHBondContact OE2-NH2 2.85Å
77	R	95	Very high	97.1	Very high	43 Å²	43	41.4 Å²	41.4	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.8	-176.5	-158.4	68.8	66.9	-162.9	-2.6	110	V72 A75 Y79 L202 D227	V72-R77 PolarHBondContact N-O 3.49Å; V72-R77 PolarHBondContact O-N 2.96Å; A75-R77 HydrophobicContact CB-CB 3.96Å; A75-R77 PolarHBondContact O-N 3Å; A75-R77 VanDerWaalsContact O-N 3.17Å; R77-Y79 HydrophobicContact CB-CE2 4.45Å; R77-Y79 HydrophobicContact CG-CE1 3.86Å; R77-Y79 HydrophobicContact CG-CE2 3.87Å; R77-Y79 WeakPolarHBondContact CG-OH 3.38Å; R77-L202 WeakPolarHBondContact CD-O 3.19Å; R77-L202 PolarHBondContact NH1-O 2.9Å; R77-D227 IonicContact NE-OD2 3.49Å
78	A	97.8	Very high	97	Very high	32 Å²	32	45 Å²	45	26%	0.264	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.1	176.1	0	0	0	0	0	110.4	L69 V70 A71 P208	L69-A78 HydrophobicContact CD1-CB 4.22Å; V70-A78 WeakPolarHBondContact O-CA 3.35Å; A71-A78 HydrophobicContact CB-CB 4.45Å; A78-P208 HydrophobicContact CB-CB 4.1Å; A78-P208 HydrophobicContact CB-CG 3.92Å
79	Y	98.8	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.3	177.4	-43.5	-88.1	0	0	0	109.5	V70 R77 L202 V211 A224 D227 T228	V70-Y79 PolarHBondContact N-O 2.86Å; V70-Y79 PolarHBondContact O-N 3.21Å; R77-Y79 HydrophobicContact CB-CE2 4.45Å; R77-Y79 HydrophobicContact CG-CE1 3.86Å; R77-Y79 HydrophobicContact CG-CE2 3.87Å; R77-Y79 WeakPolarHBondContact CG-OH 3.38Å; Y79-L202 HydrophobicContact CE1-CD2 4.35Å; Y79-V211 HydrophobicContact CD1-CG2 4.3Å; Y79-A224 HydrophobicContact CD1-CB 4.43Å; Y79-A224 HydrophobicContact CD2-CB 3.94Å; Y79-A224 HydrophobicContact CE1-CB 4.41Å; Y79-A224 HydrophobicContact CE2-CB 3.92Å; Y79-A224 HydrophobicContact CG-CB 4.17Å; Y79-A224 PolarHBondContact OH-O 3.31Å; Y79-D227 WeakPolarHBondContact CE1-OD2 3.23Å; Y79-D227 WeakPolarHBondContact OH-CB 3.47Å; Y79-D227 PolarHBondContact OH-OD2 2.94Å; Y79-T228 WeakPolarHBondContact CE2-OG1 3.25Å; Y79-T228 PolarHBondContact OH-N 3.31Å; Y79-T228 PolarHBondContact OH-OG1 3.37Å
80	I	98.9	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	108.6	162	-71.2	161	0	0	0	107.6	V55 A67 S68 L69 M96 Q100 P208 S209 V210 V211	V55-I80 HydrophobicContact CG2-CD1 4.36Å; V55-I80 HydrophobicContact CG2-CG1 4.05Å; V55-I80 HydrophobicContact CG2-CG2 3.99Å; A67-I80 HydrophobicContact CB-CG2 3.94Å; S68-I80 WeakPolarHBondContact O-CA 3.4Å; L69-I80 HydrophobicContact CD1-CG1 4.22Å; I80-M96 HydrophobicContact CG2-CE 3.78Å; I80-M96 HydrophobicContact CG2-SD 3.7Å; I80-Q100 HydrophobicContact CD1-CB 3.62Å; I80-Q100 HydrophobicContact CD1-CG 3.59Å; I80-P208 HydrophobicContact CD1-CB 4.16Å; I80-P208 HydrophobicContact CG1-CB 4.02Å; I80-S209 PolarHBondContact N-O 2.87Å; I80-V210 HydrophobicContact CB-CG2 4.17Å; I80-V210 HydrophobicContact CD1-CG2 4.42Å; I80-V210 HydrophobicContact CG2-CG1 4.46Å; I80-V210 HydrophobicContact CG2-CG2 4.34Å; I80-V210 CarbonylContact O-C 3.6Å; I80-V210 WeakPolarHBondContact O-CA 3.47Å; I80-V211 PolarHBondContact O-N 2.8Å
81	L	98.9	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.8	175.2	-57.5	-166.2	0	0	0	109.5	A67 S68 V70 V211 A224 L258	A67-L81 CarbonylContact C-O 3.5Å; A67-L81 WeakPolarHBondContact CA-O 3.49Å; S68-L81 PolarHBondContact N-O 3.01Å; S68-L81 PolarHBondContact O-N 3.33Å; V70-L81 HydrophobicContact CB-CG 4.46Å; V70-L81 HydrophobicContact CG2-CB 4.33Å; V70-L81 HydrophobicContact CG2-CD1 3.83Å; V70-L81 HydrophobicContact CG2-CG 3.8Å; L81-V211 WeakPolarHBondContact CA-O 3.5Å; L81-V211 HydrophobicContact CD2-CB 3.66Å; L81-V211 HydrophobicContact CD2-CG1 4.33Å; L81-V211 HydrophobicContact CD2-CG2 4.2Å; L81-A224 HydrophobicContact CD2-CB 4.35Å; L81-L258 HydrophobicContact CD1-CD1 4.03Å; L81-L258 HydrophobicContact CD1-CD2 3.58Å; L81-L258 HydrophobicContact CD1-CG 4.47Å
82	T	98.9	Very high	97.1	Very high	2 Å²	2	43 Å²	43	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.6	-173.2	-171.3	0	0	0	0	112.5	N66 F93 M96 V210 V211 H212 G216	N66-T82 PolarHBondContact O-OG1 3.29Å; T82-F93 HydrophobicContact CG2-CD2 4.24Å; T82-F93 HydrophobicContact CG2-CE2 3.78Å; T82-M96 HydrophobicContact CG2-CE 4.25Å; T82-V210 HydrophobicContact CG2-CG1 3.64Å; T82-V211 PolarHBondContact N-O 3.49Å; T82-V211 VanDerWaalsContact N-O 3.16Å; T82-H212 HydrophobicContact CG2-CB 3.73Å; T82-H212 WeakPolarHBondContact O-CB 3.48Å; T82-G216 WeakPolarHBondContact O-CA 3.49Å
83	Q	98.9	Very high	97.3	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.037	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-69	158.7	171.8	72.9	-179	29.7	0	0	110.9	L41 N66 P85	L41-Q83 PolarHBondContact O-NE2 2.86Å; N66-Q83 HydrophobicContact CB-CG 4.08Å; N66-Q83 PolarHBondContact ND2-OE1 3.08Å; N66-Q83 PolarHBondContact O-N 3.27Å; Q83-P85 WeakPolarHBondContact O-CD 3.4Å
84	G	98.8	Very high	97.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-61.8	122.5	167.2	0	0	0	0	0	109.4	R43 L86 C213 S214	R43-G84 PolarHBondContact NE-O 3.02Å; R43-G84 PolarHBondContact NH2-O 3.28Å; G84-L86 PolarHBondContact O-N 2.77Å; G84-C213 WeakPolarHBondContact CA-O 3.4Å; G84-C213 PolarHBondContact N-O 2.84Å; G84-S214 PolarHBondContact N-O 3.39Å
85	P	98.8	Very high	98	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.013	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-49.7	140	-173.9	-32.1	36.7	0	0	0	113	R43 Q83 F93 C119 A120 Y122	R43-P85 PolarHBondContact NH2-O 3.42Å; Q83-P85 WeakPolarHBondContact O-CD 3.4Å; P85-F93 HydrophobicContact CB-CB 4.37Å; P85-F93 HydrophobicContact CG-CB 3.86Å; P85-F93 HydrophobicContact CG-CD1 4.24Å; P85-F93 HydrophobicContact CG-CD2 3.44Å; P85-F93 VanDerWaalsContact CG-CD2 3.44Å; P85-F93 HydrophobicContact CG-CE2 3.97Å; P85-F93 HydrophobicContact CG-CG 3.58Å; P85-C119 VanDerWaalsContact CD-SG 3.59Å; P85-A120 WeakPolarHBondContact O-CB 3.42Å; P85-A120 PolarHBondContact O-N 2.88Å; P85-Y122 HydrophobicContact CB-CD1 4.48Å; P85-Y122 HydrophobicContact CG-CD1 3.96Å; P85-Y122 HydrophobicContact CG-CE1 4.43Å; P85-Y122 HydrophobicContact CG-CG 4.08Å
86	L	98.7	Very high	98.2	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.136	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-81.4	160.9	165.3	-62.5	167	0	0	0	108.4	N40 R43 G84 N88 T89 C90	N40-L86 WeakPolarHBondContact O-CD1 3.36Å; R43-L86 HydrophobicContact CB-CD2 3.97Å; R43-L86 HydrophobicContact CB-CG 4.37Å; R43-L86 HydrophobicContact CG-CD2 4.16Å; G84-L86 PolarHBondContact O-N 2.77Å; L86-N88 VanDerWaalsContact CB-OD1 3.26Å; L86-N88 WeakPolarHBondContact CB-OD1 3.47Å; L86-N88 PolarHBondContact O-N 2.68Å; L86-T89 HydrophobicContact CB-CG2 4.16Å; L86-T89 HydrophobicContact CD1-CG2 4.36Å; L86-T89 PolarHBondContact N-OG1 2.76Å; L86-T89 CarbonylContact O-C 3.5Å; L86-T89 PolarHBondContact O-N 2.7Å; L86-T89 PolarHBondContact O-OG1 3.43Å; L86-C90 PolarHBondContact O-N 3.09Å; L86-C90 PolarHBondContact O-SG 2.87Å
87	R	98.3	Very high	98.5	Very high	189 Å²	189	20.6 Å²	20.6	71%	0.713	10%	0.097	S	C	*	.	G	3₁₀ helix	trans	-54.7	-39	178.8	-66.5	175.8	177.2	-97.6	-3.2	112.4	T89 E117 A120	R87-T89 VanDerWaalsContact C-N 3.32Å; R87-E117 IonicContact CZ-OE1 3.36Å; R87-E117 IonicContact NE-OE1 2.81Å; R87-E117 PolarHBondContact NE-OE1 2.7Å; R87-E117 IonicContact NE-OE2 3.09Å; R87-E117 IonicContact NH2-OE1 2.68Å; R87-E117 PolarHBondContact NH2-OE1 2.88Å; R87-A120 HydrophobicContact CG-CB 4.05Å
88	N	97.9	Very high	98.7	Very high	76 Å²	76	19.7 Å²	19.7	41%	0.406	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-85.1	4.9	177.9	65.4	-54	0	0	0	114.3	N40 L86	N40-N88 PolarHBondContact O-ND2 3.29Å; L86-N88 VanDerWaalsContact CB-OD1 3.26Å; L86-N88 WeakPolarHBondContact CB-OD1 3.47Å; L86-N88 PolarHBondContact O-N 2.68Å
89	T	98.7	Very high	98.7	Very high	8 Å²	8	19.9 Å²	19.9	5%	0.049	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-127.6	11	178.3	73.1	0	0	0	0	112.6	L41 L86 R87 F93	L41-T89 HydrophobicContact CB-CG2 4.38Å; L41-T89 HydrophobicContact CD2-CG2 3.71Å; L86-T89 HydrophobicContact CB-CG2 4.16Å; L86-T89 HydrophobicContact CD1-CG2 4.36Å; L86-T89 PolarHBondContact N-OG1 2.76Å; L86-T89 CarbonylContact O-C 3.5Å; L86-T89 PolarHBondContact O-N 2.7Å; L86-T89 PolarHBondContact O-OG1 3.43Å; R87-T89 VanDerWaalsContact C-N 3.32Å; T89-F93 WeakPolarHBondContact O-CB 3.34Å; T89-F93 PolarHBondContact O-N 2.78Å
90	C	98.8	Very high	98.7	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-40.7	176.2	-65.3	0	0	0	0	111.5	L86 F93 W94 F133	L86-C90 PolarHBondContact O-N 3.09Å; L86-C90 PolarHBondContact O-SG 2.87Å; C90-F93 WeakPolarHBondContact O-CB 3.39Å; C90-F93 PolarHBondContact O-N 2.99Å; C90-W94 VanDerWaalsContact O-CD1 3.27Å; C90-W94 PolarHBondContact O-N 2.85Å; C90-W94 VanDerWaalsContact O-N 3.16Å; C90-F133 HydrophobicContact CB-CD1 3.86Å; C90-F133 HydrophobicContact CB-CE1 3.29Å; C90-F133 HydrophobicContact CB-CZ 4.06Å
91	G	98.4	Very high	98.7	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-49.5	174	0	0	0	0	0	111.7	F93 W94 L95 T136	G91-F93 PolarHBondContact O-N 2.77Å; G91-W94 PolarHBondContact O-N 2.76Å; G91-W94 VanDerWaalsContact O-N 3.12Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 PolarHBondContact O-N 2.98Å; G91-T136 VanDerWaalsContact C-CG2 3.41Å; G91-T136 WeakPolarHBondContact CA-OG1 3.45Å; G91-T136 PolarHBondContact O-OG1 2.99Å
92	H	98.8	Very high	98.7	Very high	33 Å²	33	25.6 Å²	25.6	15%	0.153	12%	0.123	C	C	.	.	H	α-helix	trans	-54.8	-38	174.3	-64.6	177.8	0	0	0	113.1	L57 I65 M96	L57-H92 HydrophobicContact CD1-CB 3.81Å; I65-H92 HydrophobicContact CD1-CB 4.18Å; H92-M96 WeakPolarHBondContact O-CB 3.47Å; H92-M96 PolarHBondContact O-N 3.28Å
93	F	98.9	Very high	98.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-46.6	177.3	177.2	-88.6	0	0	0	111.8	T82 P85 T89 C90 G91 M96 V97 V105 Y122 V210	T82-F93 HydrophobicContact CG2-CD2 4.24Å; T82-F93 HydrophobicContact CG2-CE2 3.78Å; P85-F93 HydrophobicContact CB-CB 4.37Å; P85-F93 HydrophobicContact CG-CB 3.86Å; P85-F93 HydrophobicContact CG-CD1 4.24Å; P85-F93 HydrophobicContact CG-CD2 3.44Å; P85-F93 VanDerWaalsContact CG-CD2 3.44Å; P85-F93 HydrophobicContact CG-CE2 3.97Å; P85-F93 HydrophobicContact CG-CG 3.58Å; T89-F93 WeakPolarHBondContact O-CB 3.34Å; T89-F93 PolarHBondContact O-N 2.78Å; C90-F93 WeakPolarHBondContact O-CB 3.39Å; C90-F93 PolarHBondContact O-N 2.99Å; G91-F93 PolarHBondContact O-N 2.77Å; F93-M96 HydrophobicContact CD2-CE 4.18Å; F93-M96 HydrophobicContact CE2-CE 4.35Å; F93-M96 WeakPolarHBondContact O-CB 3.42Å; F93-M96 PolarHBondContact O-N 2.76Å; F93-V97 HydrophobicContact CD1-CG2 4.24Å; F93-V97 HydrophobicContact CE1-CG2 3.89Å; F93-V97 HydrophobicContact CZ-CG2 4.28Å; F93-V97 WeakPolarHBondContact O-CG2 3.43Å; F93-V97 PolarHBondContact O-N 2.85Å; F93-V105 HydrophobicContact CE1-CG1 4.37Å; F93-V105 HydrophobicContact CE1-CG2 4.17Å; F93-V105 HydrophobicContact CZ-CG1 3.78Å; F93-V105 HydrophobicContact CZ-CG2 4.1Å; F93-Y122 AromaticContact CD1-CD2 3.95Å; F93-Y122 HydrophobicContact CD1-CD2 3.95Å; F93-Y122 HydrophobicContact CD1-CE2 4.13Å; F93-Y122 AromaticContact CE1-CD2 3.76Å; F93-Y122 HydrophobicContact CE1-CD2 3.76Å; F93-Y122 AromaticContact CE1-CE2 3.46Å; F93-Y122 HydrophobicContact CE1-CE2 3.46Å; F93-Y122 VanDerWaalsContact CE1-CE2 3.46Å; F93-Y122 AromaticContact CZ-CE2 3.94Å; F93-Y122 HydrophobicContact CZ-CE2 3.94Å; F93-V210 HydrophobicContact CE2-CG1 3.74Å; F93-V210 HydrophobicContact CZ-CG1 3.91Å
94	W	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-71.7	-33.4	178	-71	116.1	0	0	0	113.1	C90 G91 M96 V97 W98 V105 Y122 W123 F133 V140 L156 L158 I169	C90-W94 VanDerWaalsContact O-CD1 3.27Å; C90-W94 PolarHBondContact O-N 2.85Å; C90-W94 VanDerWaalsContact O-N 3.16Å; G91-W94 PolarHBondContact O-N 2.76Å; G91-W94 VanDerWaalsContact O-N 3.12Å; W94-M96 VanDerWaalsContact C-N 3.33Å; W94-V97 HydrophobicContact CE3-CB 4.09Å; W94-V97 HydrophobicContact CE3-CG1 4.11Å; W94-V97 HydrophobicContact CE3-CG2 4.1Å; W94-V97 HydrophobicContact CZ3-CG1 4.2Å; W94-V97 HydrophobicContact CZ3-CG2 4.37Å; W94-V97 PolarHBondContact O-N 3.29Å; W94-W98 WeakPolarHBondContact O-CB 3.44Å; W94-W98 PolarHBondContact O-N 2.72Å; W94-V105 HydrophobicContact CZ3-CG2 4.33Å; W94-Y122 AromaticContact CE2-CD2 3.85Å; W94-Y122 HydrophobicContact CH2-CD2 4.46Å; W94-Y122 HydrophobicContact CH2-CE2 4.24Å; W94-Y122 AromaticContact CZ2-CD2 3.56Å; W94-Y122 HydrophobicContact CZ2-CD2 3.56Å; W94-Y122 AromaticContact CZ2-CE2 3.76Å; W94-Y122 HydrophobicContact CZ2-CE2 3.76Å; W94-Y122 AromaticContact NE1-CD2 3.89Å; W94-Y122 PolarHBondContact NE1-O 3.36Å; W94-W123 HydrophobicContact CZ2-CB 4.39Å; W94-F133 AromaticContact CD1-CD2 3.55Å; W94-F133 AromaticContact CD1-CE2 3.15Å; W94-F133 AromaticContact CD1-CZ 3.54Å; W94-F133 HydrophobicContact CG-CD2 4.35Å; W94-F133 HydrophobicContact CG-CE2 4.19Å; W94-F133 AromaticContact NE1-CE2 3.3Å; W94-F133 VanDerWaalsContact NE1-CE2 3.3Å; W94-F133 AromaticContact NE1-CZ 3.51Å; W94-V140 HydrophobicContact CD2-CG2 3.79Å; W94-V140 HydrophobicContact CE3-CG2 4.36Å; W94-V140 HydrophobicContact CG-CG2 3.99Å; W94-V140 HydrophobicContact CH2-CG1 4.37Å; W94-V140 HydrophobicContact CZ2-CG1 4.08Å; W94-V140 HydrophobicContact CZ2-CG2 4.12Å; W94-L156 HydrophobicContact CH2-CD1 3.71Å; W94-L156 HydrophobicContact CZ2-CD1 4.24Å; W94-L158 HydrophobicContact CB-CD1 4.04Å; W94-L158 HydrophobicContact CD2-CD1 4.24Å; W94-L158 HydrophobicContact CE3-CD1 4.01Å; W94-L158 HydrophobicContact CE3-CD2 4.02Å; W94-L158 HydrophobicContact CG-CD1 4.28Å; W94-I169 HydrophobicContact CZ3-CG2 4.35Å
95	L	98.8	Very high	98.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-46.9	169.2	177.5	63.1	0	0	0	110.9	L57 N59 A60 G91 V97 W98 E99 T136 F138	L57-L95 HydrophobicContact CB-CD2 4.18Å; L57-L95 HydrophobicContact CD1-CD2 4.38Å; L57-L95 HydrophobicContact CD2-CD2 4.3Å; L57-L95 HydrophobicContact CD2-CG 4.33Å; N59-L95 HydrophobicContact CB-CD1 4.11Å; N59-L95 HydrophobicContact CB-CD2 4.47Å; A60-L95 HydrophobicContact CB-CD2 4.1Å; G91-L95 WeakPolarHBondContact O-CB 3.41Å; G91-L95 PolarHBondContact O-N 2.98Å; L95-V97 PolarHBondContact O-N 3Å; L95-W98 WeakPolarHBondContact O-CB 3.18Å; L95-W98 PolarHBondContact O-N 3.12Å; L95-E99 HydrophobicContact CD1-CG 3.88Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.44Å; L95-E99 HydrophobicContact CG-CG 4.27Å; L95-E99 WeakPolarHBondContact O-CB 3.46Å; L95-E99 WeakPolarHBondContact O-CG 3.42Å; L95-E99 PolarHBondContact O-N 3.26Å; L95-T136 HydrophobicContact CB-CG2 4.05Å; L95-T136 HydrophobicContact CD2-CG2 4.12Å; L95-F138 HydrophobicContact CB-CE2 3.94Å; L95-F138 HydrophobicContact CD1-CE2 3.66Å; L95-F138 HydrophobicContact CD1-CZ 4.05Å; L95-F138 HydrophobicContact CG-CE2 4.43Å
96	M	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-47.3	175.3	-177.1	-171.1	69	0	0	111.9	V55 L57 I65 A67 I80 T82 H92 F93 W94 W98 E99 Q100 V210	V55-M96 HydrophobicContact CB-SD 4.27Å; V55-M96 HydrophobicContact CG1-CG 3.82Å; V55-M96 HydrophobicContact CG1-SD 4.19Å; V55-M96 HydrophobicContact CG2-SD 4.35Å; L57-M96 HydrophobicContact CD2-CB 3.85Å; I65-M96 HydrophobicContact CD1-CB 4.09Å; I65-M96 HydrophobicContact CD1-CE 4.41Å; I65-M96 HydrophobicContact CD1-SD 3.87Å; I65-M96 HydrophobicContact CG2-SD 4.19Å; A67-M96 HydrophobicContact CB-CE 4.45Å; A67-M96 HydrophobicContact CB-SD 3.48Å; A67-M96 WeakPolarHBondContact CB-SD 3.37Å; I80-M96 HydrophobicContact CG2-CE 3.78Å; I80-M96 HydrophobicContact CG2-SD 3.7Å; T82-M96 HydrophobicContact CG2-CE 4.25Å; H92-M96 WeakPolarHBondContact O-CB 3.47Å; H92-M96 PolarHBondContact O-N 3.28Å; F93-M96 HydrophobicContact CD2-CE 4.18Å; F93-M96 HydrophobicContact CE2-CE 4.35Å; F93-M96 WeakPolarHBondContact O-CB 3.42Å; F93-M96 PolarHBondContact O-N 2.76Å; W94-M96 VanDerWaalsContact C-N 3.33Å; M96-W98 PolarHBondContact O-N 3.31Å; M96-E99 PolarHBondContact O-N 3.3Å; M96-Q100 HydrophobicContact CG-CG 4.13Å; M96-Q100 VanDerWaalsContact O-CB 3.23Å; M96-Q100 WeakPolarHBondContact O-CB 3.49Å; M96-Q100 WeakPolarHBondContact O-CG 3.5Å; M96-Q100 PolarHBondContact O-N 2.85Å; M96-V210 HydrophobicContact CE-CG1 3.82Å; M96-V210 HydrophobicContact CE-CG2 3.97Å
97	V	98.9	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.6	-41.4	176.9	169.6	0	0	0	0	110.9	F93 W94 L95 C101 S102 V105 L158 I169 V210	F93-V97 HydrophobicContact CD1-CG2 4.24Å; F93-V97 HydrophobicContact CE1-CG2 3.89Å; F93-V97 HydrophobicContact CZ-CG2 4.28Å; F93-V97 WeakPolarHBondContact O-CG2 3.43Å; F93-V97 PolarHBondContact O-N 2.85Å; W94-V97 HydrophobicContact CE3-CB 4.09Å; W94-V97 HydrophobicContact CE3-CG1 4.11Å; W94-V97 HydrophobicContact CE3-CG2 4.1Å; W94-V97 HydrophobicContact CZ3-CG1 4.2Å; W94-V97 HydrophobicContact CZ3-CG2 4.37Å; W94-V97 PolarHBondContact O-N 3.29Å; L95-V97 PolarHBondContact O-N 3Å; V97-C101 PolarHBondContact O-N 3.31Å; V97-S102 PolarHBondContact O-N 3.49Å; V97-S102 VanDerWaalsContact O-N 3.1Å; V97-V105 HydrophobicContact CG2-CG2 4.07Å; V97-L158 HydrophobicContact CB-CD2 4.45Å; V97-L158 HydrophobicContact CG1-CD2 3.97Å; V97-I169 HydrophobicContact CG1-CD1 4.07Å; V97-I169 HydrophobicContact CG1-CG1 4.41Å; V97-I169 HydrophobicContact CG1-CG2 4.44Å; V97-V210 HydrophobicContact CG2-CG2 3.99Å
98	W	98.8	Very high	98.7	Very high	23 Å²	23	16.5 Å²	16.5	9%	0.087	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-54.3	178.2	-176.8	-90.5	0	0	0	112.9	W94 L95 M96 Q100 C101 F138 L158 N160 E165 R167	W94-W98 WeakPolarHBondContact O-CB 3.44Å; W94-W98 PolarHBondContact O-N 2.72Å; L95-W98 WeakPolarHBondContact O-CB 3.18Å; L95-W98 PolarHBondContact O-N 3.12Å; M96-W98 PolarHBondContact O-N 3.31Å; W98-Q100 VanDerWaalsContact C-N 3.26Å; W98-Q100 PolarHBondContact O-N 2.9Å; W98-C101 PolarHBondContact O-N 2.97Å; W98-C101 VanDerWaalsContact O-N 3.07Å; W98-F138 HydrophobicContact CB-CE1 3.74Å; W98-F138 HydrophobicContact CB-CZ 3.65Å; W98-F138 AromaticContact CD1-CZ 3.96Å; W98-F138 AromaticContact CD2-CE1 3.65Å; W98-F138 HydrophobicContact CD2-CE1 3.65Å; W98-F138 HydrophobicContact CD2-CZ 4.17Å; W98-F138 AromaticContact CE3-CE1 3.85Å; W98-F138 HydrophobicContact CE3-CE1 3.85Å; W98-F138 AromaticContact CG-CE1 3.59Å; W98-F138 HydrophobicContact CG-CE1 3.59Å; W98-F138 AromaticContact CG-CZ 3.63Å; W98-F138 HydrophobicContact CG-CZ 3.63Å; W98-L158 HydrophobicContact CB-CD2 4.2Å; W98-L158 HydrophobicContact CE3-CD2 3.94Å; W98-L158 HydrophobicContact CE3-CG 4.03Å; W98-L158 WeakPolarHBondContact CZ3-O 3.39Å; W98-N160 HydrophobicContact CD2-CB 4.46Å; W98-N160 HydrophobicContact CH2-CB 3.87Å; W98-N160 HydrophobicContact CZ2-CB 3.76Å; W98-N160 HydrophobicContact CZ3-CB 4.27Å; W98-E165 HydrophobicContact CH2-CB 3.69Å; W98-E165 WeakPolarHBondContact CH2-O 3.42Å; W98-E165 HydrophobicContact CZ2-CB 4.05Å; W98-R167 HydrophobicContact CE3-CG 4.28Å; W98-R167 HydrophobicContact CH2-CG 3.97Å; W98-R167 HydrophobicContact CZ3-CB 4.14Å; W98-R167 HydrophobicContact CZ3-CG 3.58Å; W98-R167 PolarHBondContact O-NH1 2.92Å
99	E	98.6	Very high	98.7	Very high	36 Å²	36	12.9 Å²	12.9	17%	0.168	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-35.6	-176.9	-72.2	178.7	161.7	0	0	111.8	L57 E58 N59 L95 M96 C101	L57-E99 WeakPolarHBondContact CA-OE2 3.24Å; E58-E99 PolarHBondContact N-OE1 3.41Å; E58-E99 VanDerWaalsContact N-OE1 3.14Å; E58-E99 PolarHBondContact N-OE2 3.28Å; E58-E99 VanDerWaalsContact N-OE2 3.09Å; N59-E99 WeakPolarHBondContact CB-OE1 3.2Å; N59-E99 PolarHBondContact N-OE1 3.45Å; N59-E99 PolarHBondContact ND2-OE1 2.96Å; L95-E99 HydrophobicContact CD1-CG 3.88Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.44Å; L95-E99 HydrophobicContact CG-CG 4.27Å; L95-E99 WeakPolarHBondContact O-CB 3.46Å; L95-E99 WeakPolarHBondContact O-CG 3.42Å; L95-E99 PolarHBondContact O-N 3.26Å; M96-E99 PolarHBondContact O-N 3.3Å; E99-C101 VanDerWaalsContact C-N 3.25Å; E99-C101 PolarHBondContact O-N 3.39Å
100	Q	98.6	Very high	98.6	Very high	49 Å²	49	18.1 Å²	18.1	23%	0.229	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.2	179.2	-58.1	-60.4	-53.9	0	0	112.9	V55 I80 M96 W98 S102 G207	V55-Q100 HydrophobicContact CG1-CG 4.04Å; I80-Q100 HydrophobicContact CD1-CB 3.62Å; I80-Q100 HydrophobicContact CD1-CG 3.59Å; M96-Q100 HydrophobicContact CG-CG 4.13Å; M96-Q100 VanDerWaalsContact O-CB 3.23Å; M96-Q100 WeakPolarHBondContact O-CB 3.49Å; M96-Q100 WeakPolarHBondContact O-CG 3.5Å; M96-Q100 PolarHBondContact O-N 2.85Å; W98-Q100 VanDerWaalsContact C-N 3.26Å; W98-Q100 PolarHBondContact O-N 2.9Å; Q100-S102 PolarHBondContact O-N 3.49Å; Q100-S102 VanDerWaalsContact O-N 3.08Å; Q100-G207 VanDerWaalsContact O-CA 3.28Å; Q100-G207 WeakPolarHBondContact O-CA 3.22Å
101	C	98.3	Very high	98.5	Very high	68 Å²	68	19.3 Å²	19.3	46%	0.459	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	34.5	179.4	-63.8	0	0	0	0	113.4	V97 W98 E99 G207	V97-C101 PolarHBondContact O-N 3.31Å; W98-C101 PolarHBondContact O-N 2.97Å; W98-C101 VanDerWaalsContact O-N 3.07Å; E99-C101 VanDerWaalsContact C-N 3.25Å; E99-C101 PolarHBondContact O-N 3.39Å; C101-G207 PolarHBondContact O-N 3.21Å
102	S	98.8	Very high	98.4	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.028	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-71.8	132.6	-177.4	-59.6	0	0	0	0	110.4	V97 Q100 I169 P208	V97-S102 PolarHBondContact O-N 3.49Å; V97-S102 VanDerWaalsContact O-N 3.1Å; Q100-S102 PolarHBondContact O-N 3.49Å; Q100-S102 VanDerWaalsContact O-N 3.08Å; S102-I169 VanDerWaalsContact O-CD1 3.3Å; S102-I169 WeakPolarHBondContact O-CD1 3.49Å; S102-P208 WeakPolarHBondContact CB-O 3.4Å; S102-P208 PolarHBondContact OG-O 3.15Å
103	K	98.6	Very high	98.2	Very high	35 Å²	35	22.7 Å²	22.7	15%	0.152	11%	0.111	C	C	.	.			trans	-87.7	-23.4	177.2	-174.3	60.5	179.2	171.5	0	113.6	E168 I169 Y170 Y206	K103-E168 WeakPolarHBondContact CD-O 3.36Å; K103-E168 PolarHBondContact NZ-O 3.42Å; K103-I169 WeakPolarHBondContact O-CA 3.48Å; K103-Y170 HydrophobicContact CG-CD2 4.38Å; K103-Y170 PolarHBondContact O-N 3.28Å; K103-Y206 HydrophobicContact CB-CD1 3.97Å; K103-Y206 HydrophobicContact CB-CD2 3.62Å; K103-Y206 HydrophobicContact CB-CE1 4.48Å; K103-Y206 HydrophobicContact CB-CE2 4.18Å; K103-Y206 HydrophobicContact CB-CG 3.51Å; K103-Y206 HydrophobicContact CD-CD1 4.37Å; K103-Y206 HydrophobicContact CD-CE1 4.12Å; K103-Y206 HydrophobicContact CD-CE2 4.36Å; K103-Y206 HydrophobicContact CG-CD1 4.3Å; K103-Y206 HydrophobicContact CG-CD2 3.79Å; K103-Y206 HydrophobicContact CG-CE1 4.32Å; K103-Y206 HydrophobicContact CG-CE2 3.81Å; K103-Y206 HydrophobicContact CG-CG 4.06Å
104	A	98.7	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.2	-179.1	0	0	0	0	0	114.6	I106 Y170 F172 V210	A104-I106 HydrophobicContact CB-CD1 4.25Å; A104-Y170 CarbonylContact C-O 3.43Å; A104-Y170 WeakPolarHBondContact CA-O 3.21Å; A104-F172 HydrophobicContact CB-CD2 4.07Å; A104-F172 HydrophobicContact CB-CE2 3.9Å; A104-V210 PolarHBondContact O-N 2.96Å
105	V	98.9	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.2	166.6	179.4	0	0	0	0	108.7	F93 W94 V97 Y122 I169 Y170 H171 F172 V210	F93-V105 HydrophobicContact CE1-CG1 4.37Å; F93-V105 HydrophobicContact CE1-CG2 4.17Å; F93-V105 HydrophobicContact CZ-CG1 3.78Å; F93-V105 HydrophobicContact CZ-CG2 4.1Å; W94-V105 HydrophobicContact CZ3-CG2 4.33Å; V97-V105 HydrophobicContact CG2-CG2 4.07Å; V105-Y122 HydrophobicContact CG1-CE2 4.46Å; V105-Y122 VanDerWaalsContact CG1-OH 3.26Å; V105-Y122 WeakPolarHBondContact CG1-OH 3.45Å; V105-I169 HydrophobicContact CG2-CG2 4.14Å; V105-Y170 PolarHBondContact N-O 3.08Å; V105-H171 WeakPolarHBondContact O-CA 3.25Å; V105-F172 PolarHBondContact O-N 3.44Å; V105-V210 CarbonylContact C-O 3.58Å; V105-V210 WeakPolarHBondContact CA-O 3.41Å; V105-V210 HydrophobicContact CG2-CB 4.39Å
106	I	98.9	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.1	178.2	-59.3	95.1	0	0	0	108.5	A104 L108 F172 F192 V196 V210 V211 H212 F223	A104-I106 HydrophobicContact CB-CD1 4.25Å; I106-L108 HydrophobicContact CG2-CD2 3.81Å; I106-L108 HydrophobicContact CG2-CG 4.19Å; I106-F172 CarbonylContact C-O 3.56Å; I106-F172 WeakPolarHBondContact CA-O 3.44Å; I106-F172 HydrophobicContact CG1-CB 4.39Å; I106-F172 HydrophobicContact CG1-CD2 4.34Å; I106-F192 HydrophobicContact CG2-CE1 3.82Å; I106-F192 HydrophobicContact CG2-CZ 3.95Å; I106-V196 HydrophobicContact CD1-CG1 4.2Å; I106-V196 HydrophobicContact CG1-CG1 3.99Å; I106-V196 HydrophobicContact CG1-CG2 4.3Å; I106-V210 PolarHBondContact N-O 3.36Å; I106-V211 HydrophobicContact CB-CB 4.42Å; I106-V211 HydrophobicContact CB-CG1 4.19Å; I106-V211 HydrophobicContact CB-CG2 4.17Å; I106-V211 HydrophobicContact CD1-CG2 3.99Å; I106-V211 HydrophobicContact CG2-CG1 4.21Å; I106-V211 WeakPolarHBondContact O-CA 3.31Å; I106-H212 PolarHBondContact O-N 2.87Å; I106-F223 HydrophobicContact CG1-CZ 4.38Å; I106-F223 HydrophobicContact CG2-CD2 4.34Å; I106-F223 HydrophobicContact CG2-CE1 4.38Å; I106-F223 HydrophobicContact CG2-CE2 4.07Å; I106-F223 HydrophobicContact CG2-CZ 4.1Å
107	M	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.8	-179	177.5	166.5	-175.2	0	0	110.7	N109 V111 C119 Y122 W123 F172 H173 Y174 H212	M107-N109 WeakPolarHBondContact CE-O 3.44Å; M107-V111 HydrophobicContact CE-CG2 4.39Å; M107-C119 HydrophobicContact CE-CB 4.21Å; M107-Y122 HydrophobicContact SD-CE1 3.93Å; M107-W123 HydrophobicContact CE-CH2 3.54Å; M107-W123 HydrophobicContact CE-CZ3 3.72Å; M107-W123 HydrophobicContact SD-CE3 4.33Å; M107-W123 HydrophobicContact SD-CH2 3.49Å; M107-W123 WeakPolarHBondContact SD-CH2 3.38Å; M107-W123 HydrophobicContact SD-CZ2 4.37Å; M107-W123 HydrophobicContact SD-CZ3 3.48Å; M107-W123 WeakPolarHBondContact SD-CZ3 3.28Å; M107-F172 PolarHBondContact N-O 3.07Å; M107-H173 CarbonylContact O-C 3.57Å; M107-H173 WeakPolarHBondContact O-CA 3.35Å; M107-Y174 PolarHBondContact O-N 3.02Å; M107-H212 WeakPolarHBondContact CB-NE2 3.42Å; M107-H212 VanDerWaalsContact CG-CE1 3.45Å; M107-H212 WeakPolarHBondContact CG-CE1 3.46Å; M107-H212 WeakPolarHBondContact CG-NE2 3.34Å
108	L	98.5	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.			trans	-110.3	17.1	-173.9	-55.4	173.6	0	0	0	113.4	I106 W177 F192 V211 H212 C213 R219 F223	I106-L108 HydrophobicContact CG2-CD2 3.81Å; I106-L108 HydrophobicContact CG2-CG 4.19Å; L108-W177 HydrophobicContact CB-CE3 4.48Å; L108-W177 HydrophobicContact CD1-CZ3 4.41Å; L108-W177 HydrophobicContact CD2-CE3 4.4Å; L108-W177 HydrophobicContact CD2-CZ3 4.34Å; L108-F192 HydrophobicContact CD2-CE1 3.86Å; L108-F192 HydrophobicContact CD2-CZ 4.38Å; L108-V211 HydrophobicContact CD1-CG1 3.93Å; L108-H212 PolarHBondContact N-O 3.4Å; L108-C213 HydrophobicContact CB-CB 4.24Å; L108-R219 HydrophobicContact CB-CB 3.98Å; L108-R219 HydrophobicContact CD1-CB 4.12Å; L108-R219 WeakPolarHBondContact CD1-O 3.33Å; L108-R219 VanDerWaalsContact O-CD 3.23Å; L108-R219 WeakPolarHBondContact O-CD 3.49Å; L108-R219 PolarHBondContact O-NE 2.97Å; L108-R219 PolarHBondContact O-NH1 3.43Å; L108-F223 HydrophobicContact CD1-CB 3.69Å; L108-F223 HydrophobicContact CD1-CG 4.29Å; L108-F223 HydrophobicContact CD2-CD2 4.44Å
109	N	97.5	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-138.4	163.6	178.3	73.4	-78.1	0	0	0	112.2	M107 E113 C119 H173 C213 R219	M107-N109 WeakPolarHBondContact CE-O 3.44Å; N109-E113 WeakPolarHBondContact CA-OE1 3.27Å; N109-C119 WeakPolarHBondContact ND2-CB 3.15Å; N109-H173 PolarHBondContact O-NE2 2.76Å; N109-C213 HydrophobicContact CB-CB 4.33Å; N109-C213 WeakPolarHBondContact OD1-CA 3.41Å; N109-C213 PolarHBondContact OD1-O 3.22Å; N109-C213 VanDerWaalsContact OD1-O 3.07Å; N109-R219 VanDerWaalsContact CA-NH1 3.25Å; N109-R219 VanDerWaalsContact CB-NH1 3.26Å
110	R	97.1	Very high	97.3	Very high	118 Å²	118	39.3 Å²	39.3	45%	0.445	22%	0.215	S	C	.	.			trans	-87.8	153.5	165.6	-65.3	175	-66.7	-173.2	-4	110.5	I112 E113 T175	R110-I112 PolarHBondContact O-N 2.99Å; R110-E113 HydrophobicContact CB-CG 3.93Å; R110-E113 PolarHBondContact N-OE1 3.38Å; R110-T175 WeakPolarHBondContact CD-O 3.36Å
111	V	97.6	Very high	97.3	Very high	31 Å²	31	40 Å²	40	19%	0.188	22%	0.218	C	C	.	.	S	Bend	trans	-52.3	-45.1	174.9	176.7	0	0	0	0	110.5	M107 E117 K118 C119 W123	M107-V111 HydrophobicContact CE-CG2 4.39Å; V111-E117 CarbonylContact O-C 3.58Å; V111-E117 WeakPolarHBondContact O-CA 3.24Å; V111-K118 PolarHBondContact O-N 3.48Å; V111-C119 VanDerWaalsContact CG1-O 3.25Å; V111-C119 WeakPolarHBondContact CG1-O 3.39Å; V111-C119 PolarHBondContact O-N 2.65Å; V111-W123 HydrophobicContact CG2-CH2 3.57Å; V111-W123 HydrophobicContact CG2-CZ2 4.38Å; V111-W123 HydrophobicContact CG2-CZ3 4.26Å
112	I	96.6	Very high	97.3	Very high	104 Å²	104	36.8 Å²	36.8	53%	0.533	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	176.9	-57.8	174.8	0	0	0	109.3	R110 S116	R110-I112 PolarHBondContact O-N 2.99Å; I112-S116 WeakPolarHBondContact CA-O 3.47Å
113	E	94.2	Very high	97.3	Very high	3 Å²	3	37 Å²	37	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.5	173.7	-61.7	177.3	155.1	0	0	109.1	N109 R110 G115 S116 K118 D179 R219	N109-E113 WeakPolarHBondContact CA-OE1 3.27Å; R110-E113 HydrophobicContact CB-CG 3.93Å; R110-E113 PolarHBondContact N-OE1 3.38Å; E113-G115 PolarHBondContact O-N 2.99Å; E113-G115 VanDerWaalsContact O-N 3.12Å; E113-S116 PolarHBondContact N-O 2.87Å; E113-S116 PolarHBondContact O-N 2.98Å; E113-K118 HydrophobicContact CB-CG 3.79Å; E113-K118 HydrophobicContact CG-CG 4.06Å; E113-D179 HydrophobicContact CB-CB 4.42Å; E113-D179 WeakPolarHBondContact OE2-CB 3.28Å; E113-R219 IonicContact OE1-CZ 2.72Å; E113-R219 IonicContact OE1-NH1 3.7Å; E113-R219 PolarHBondContact OE1-NH1 3.46Å; E113-R219 IonicContact OE1-NH2 2.68Å; E113-R219 PolarHBondContact OE1-NH2 3.23Å; E113-R219 IonicContact OE2-CZ 3.34Å; E113-R219 IonicContact OE2-NH1 2.7Å; E113-R219 IonicContact OE2-NH2 2.7Å; E113-R219 PolarHBondContact OE2-NH2 2.85Å
114	K	92.1	Very high	97.3	Very high	163 Å²	163	35.3 Å²	35.3	71%	0.709	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	38.5	-178.2	-60.8	174.3	177.3	168.5	0	112.4	S116 D179	K114-S116 VanDerWaalsContact C-N 3.29Å; K114-S116 PolarHBondContact O-N 3.04Å; K114-D179 PolarHBondContact NZ-O 3.4Å
115	G	93.1	Very high	97.1	Very high	75 Å²	75	37.1 Å²	37.1	77%	0.773	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	2.7	178.7	0	0	0	0	0	116	E113	E113-G115 PolarHBondContact O-N 2.99Å; E113-G115 VanDerWaalsContact O-N 3.12Å
116	S	95.2	Very high	96.8	Very high	67 Å²	67	40.7 Å²	40.7	47%	0.469	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.4	-180	-61.3	0	0	0	0	111.9	I112 E113 K114 K118	I112-S116 WeakPolarHBondContact CA-O 3.47Å; E113-S116 PolarHBondContact N-O 2.87Å; E113-S116 PolarHBondContact O-N 2.98Å; K114-S116 VanDerWaalsContact C-N 3.29Å; K114-S116 PolarHBondContact O-N 3.04Å; S116-K118 PolarHBondContact O-N 3.25Å
117	E	96.9	Very high	96.5	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	114.5	173	-171.5	-172.4	-100.8	0	0	110.3	R43 R87 V111 C119	R43-E117 PolarHBondContact NH1-O 2.71Å; R87-E117 IonicContact CZ-OE1 3.36Å; R87-E117 IonicContact NE-OE1 2.81Å; R87-E117 PolarHBondContact NE-OE1 2.7Å; R87-E117 IonicContact NE-OE2 3.09Å; R87-E117 IonicContact NH2-OE1 2.68Å; R87-E117 PolarHBondContact NH2-OE1 2.88Å; V111-E117 CarbonylContact O-C 3.58Å; V111-E117 WeakPolarHBondContact O-CA 3.24Å; E117-C119 WeakPolarHBondContact CG-O 3.35Å
118	K	97.9	Very high	96.2	Very high	31 Å²	31	53.6 Å²	53.6	14%	0.135	29%	0.285	C	S	.	.			trans	-98.3	-19.2	-179.6	-66.4	-56.5	-169.2	162.9	0	113.4	R43 V111 E113 S116 D179 S214	R43-K118 VanDerWaalsContact CZ-O 3.29Å; R43-K118 PolarHBondContact NE-O 3.01Å; V111-K118 PolarHBondContact O-N 3.48Å; E113-K118 HydrophobicContact CB-CG 3.79Å; E113-K118 HydrophobicContact CG-CG 4.06Å; S116-K118 PolarHBondContact O-N 3.25Å; K118-D179 VanDerWaalsContact CE-OD2 3.22Å; K118-D179 WeakPolarHBondContact CE-OD2 3.49Å; K118-D179 IonicContact NZ-OD2 3.53Å; K118-D179 PolarHBondContact NZ-OD2 2.89Å; K118-S214 WeakPolarHBondContact O-CB 3.44Å; K118-S214 PolarHBondContact O-OG 3.25Å
119	C	98.4	Very high	96	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-157.5	143.1	-179.3	-176.3	0	0	0	0	107.6	P85 M107 N109 V111 E117	P85-C119 VanDerWaalsContact CD-SG 3.59Å; M107-C119 HydrophobicContact CE-CB 4.21Å; N109-C119 WeakPolarHBondContact ND2-CB 3.15Å; V111-C119 VanDerWaalsContact CG1-O 3.25Å; V111-C119 WeakPolarHBondContact CG1-O 3.39Å; V111-C119 PolarHBondContact O-N 2.65Å; E117-C119 WeakPolarHBondContact CG-O 3.35Å
120	A	98.6	Very high	96	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.025	33%	0.332	C	S	.	.			trans	-68.4	157.6	169.3	0	0	0	0	0	110.5	P85 R87 Y122	P85-A120 WeakPolarHBondContact O-CB 3.42Å; P85-A120 PolarHBondContact O-N 2.88Å; R87-A120 HydrophobicContact CG-CB 4.05Å; A120-Y122 WeakPolarHBondContact O-CD1 3.39Å; A120-Y122 PolarHBondContact O-N 3.41Å; A120-Y122 VanDerWaalsContact O-N 3.09Å
121	Q	98.4	Very high	96	Very high	65 Å²	65	58.9 Å²	58.9	30%	0.304	32%	0.318	S	S	.	.			trans	-71.3	97.6	164.2	-174.1	64.9	44.9	0	0	107.2	W123	Q121-W123 VanDerWaalsContact NE2-CD2 3.27Å; Q121-W123 PolarHBondContact NE2-O 3.06Å
122	Y	98.7	Very high	96	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.			trans	-105.7	1.7	-174.4	71.2	-93.7	0	0	0	113.1	P85 F93 W94 V105 M107 A120 M131 F133 H171 H212	P85-Y122 HydrophobicContact CB-CD1 4.48Å; P85-Y122 HydrophobicContact CG-CD1 3.96Å; P85-Y122 HydrophobicContact CG-CE1 4.43Å; P85-Y122 HydrophobicContact CG-CG 4.08Å; F93-Y122 AromaticContact CD1-CD2 3.95Å; F93-Y122 HydrophobicContact CD1-CD2 3.95Å; F93-Y122 HydrophobicContact CD1-CE2 4.13Å; F93-Y122 AromaticContact CE1-CD2 3.76Å; F93-Y122 HydrophobicContact CE1-CD2 3.76Å; F93-Y122 AromaticContact CE1-CE2 3.46Å; F93-Y122 HydrophobicContact CE1-CE2 3.46Å; F93-Y122 VanDerWaalsContact CE1-CE2 3.46Å; F93-Y122 AromaticContact CZ-CE2 3.94Å; F93-Y122 HydrophobicContact CZ-CE2 3.94Å; W94-Y122 AromaticContact CE2-CD2 3.85Å; W94-Y122 HydrophobicContact CH2-CD2 4.46Å; W94-Y122 HydrophobicContact CH2-CE2 4.24Å; W94-Y122 AromaticContact CZ2-CD2 3.56Å; W94-Y122 HydrophobicContact CZ2-CD2 3.56Å; W94-Y122 AromaticContact CZ2-CE2 3.76Å; W94-Y122 HydrophobicContact CZ2-CE2 3.76Å; W94-Y122 AromaticContact NE1-CD2 3.89Å; W94-Y122 PolarHBondContact NE1-O 3.36Å; V105-Y122 HydrophobicContact CG1-CE2 4.46Å; V105-Y122 VanDerWaalsContact CG1-OH 3.26Å; V105-Y122 WeakPolarHBondContact CG1-OH 3.45Å; M107-Y122 HydrophobicContact SD-CE1 3.93Å; A120-Y122 WeakPolarHBondContact O-CD1 3.39Å; A120-Y122 PolarHBondContact O-N 3.41Å; A120-Y122 VanDerWaalsContact O-N 3.09Å; Y122-M131 WeakPolarHBondContact O-CE 3.49Å; Y122-F133 WeakPolarHBondContact O-CZ 3.45Å; Y122-H171 AromaticContact CZ-NE2 3.73Å; Y122-H171 PolarHBondContact OH-CD2 2.83Å; Y122-H171 PolarHBondContact OH-NE2 2.74Å; Y122-H212 AromaticContact CE1-CE1 3.77Å; Y122-H212 AromaticContact CE1-NE2 3.46Å; Y122-H212 WeakPolarHBondContact CE1-NE2 3.41Å; Y122-H212 AromaticContact CZ-NE2 3.45Å; Y122-H212 PolarHBondContact OH-NE2 3.07Å
123	W	98.7	Very high	96.1	Very high	8 Å²	8	56.8 Å²	56.8	3%	0.03	31%	0.311	C	S	.	.	S	Bend	trans	-129.1	152.3	175.6	69.5	97.4	0	0	0	109.8	W94 M107 V111 Q121 L156	W94-W123 HydrophobicContact CZ2-CB 4.39Å; M107-W123 HydrophobicContact CE-CH2 3.54Å; M107-W123 HydrophobicContact CE-CZ3 3.72Å; M107-W123 HydrophobicContact SD-CE3 4.33Å; M107-W123 HydrophobicContact SD-CH2 3.49Å; M107-W123 WeakPolarHBondContact SD-CH2 3.38Å; M107-W123 HydrophobicContact SD-CZ2 4.37Å; M107-W123 HydrophobicContact SD-CZ3 3.48Å; M107-W123 WeakPolarHBondContact SD-CZ3 3.28Å; V111-W123 HydrophobicContact CG2-CH2 3.57Å; V111-W123 HydrophobicContact CG2-CZ2 4.38Å; V111-W123 HydrophobicContact CG2-CZ3 4.26Å; Q121-W123 VanDerWaalsContact NE2-CD2 3.27Å; Q121-W123 PolarHBondContact NE2-O 3.06Å; W123-L156 HydrophobicContact CB-CD1 4.12Å
124	P	98.2	Very high	96.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.349	C	S	.	.			trans	-65.5	144.5	175.9	26.4	-35.2	0	0	0	112.4	L129 M131 V140 L142 L156	P124-L129 VanDerWaalsContact CB-C 3.46Å; P124-M131 HydrophobicContact CB-CG 4.07Å; P124-V140 HydrophobicContact CG-CG1 4.2Å; P124-L142 HydrophobicContact CB-CB 4.47Å; P124-L142 HydrophobicContact CG-CB 4.02Å; P124-L156 HydrophobicContact CG-CD2 4.45Å
125	T	95.6	Very high	96.3	Very high	38 Å²	38	59.6 Å²	59.6	23%	0.233	34%	0.339	C	S	.	.			trans	-88.5	171.5	170	68.2	0	0	0	0	110.8	E127 E128 L129	T125-E127 PolarHBondContact O-N 2.91Å; T125-E127 VanDerWaalsContact O-N 3.16Å; T125-E127 PolarHBondContact OG1-N 3.33Å; T125-E128 PolarHBondContact O-N 3.38Å; T125-E128 PolarHBondContact OG1-N 2.96Å; T125-L129 WeakPolarHBondContact O-CA 3.44Å; T125-L129 PolarHBondContact O-N 2.9Å
126	S	91.5	Very high	96.4	Very high	74 Å²	74	56.5 Å²	56.5	52%	0.517	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.5	172	46.4	0	0	0	0	114.2
127	E	92.7	Very high	96.5	Very high	161 Å²	161	53.6 Å²	53.6	75%	0.752	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-40.4	174.2	-61.8	-175.4	170.3	0	0	112.2	T125	T125-E127 PolarHBondContact O-N 2.91Å; T125-E127 VanDerWaalsContact O-N 3.16Å; T125-E127 PolarHBondContact OG1-N 3.33Å
128	E	92.6	Very high	96.6	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-31.1	-178.3	-67.4	176.7	173.3	0	0	112.6	T125 Q130	T125-E128 PolarHBondContact O-N 3.38Å; T125-E128 PolarHBondContact OG1-N 2.96Å; E128-Q130 PolarHBondContact O-N 2.97Å
129	L	93.9	Very high	96.6	Very high	99 Å²	99	49.4 Å²	49.4	52%	0.518	27%	0.268	S	S	.	.			trans	58.5	-26.7	-176.4	-61.4	176	0	0	0	116.2	P124 T125 R141 L142	P124-L129 VanDerWaalsContact CB-C 3.46Å; T125-L129 WeakPolarHBondContact O-CA 3.44Å; T125-L129 PolarHBondContact O-N 2.9Å; L129-R141 CarbonylContact O-C 3.53Å; L129-R141 WeakPolarHBondContact O-CA 3.47Å; L129-L142 PolarHBondContact O-N 3.27Å
130	Q	97.6	Very high	96.6	Very high	102 Å²	102	49.4 Å²	49.4	48%	0.477	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.7	177	66.1	173.3	35.1	0	0	112.7	E128 V140 R141	E128-Q130 PolarHBondContact O-N 2.97Å; Q130-V140 CarbonylContact C-O 3.57Å; Q130-V140 WeakPolarHBondContact CA-O 3.42Å; Q130-R141 HydrophobicContact CB-CB 4.5Å; Q130-R141 HydrophobicContact CB-CG 3.91Å
131	M	98.3	Very high	96.7	Very high	29 Å²	29	52.3 Å²	52.3	14%	0.143	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.9	172.1	-69.7	-175	4.8	0	0	110.6	Y122 P124 F133 V139 V140	Y122-M131 WeakPolarHBondContact O-CE 3.49Å; P124-M131 HydrophobicContact CB-CG 4.07Å; M131-F133 HydrophobicContact CB-CE2 4.31Å; M131-F133 HydrophobicContact CB-CZ 4.33Å; M131-F133 HydrophobicContact CE-CE1 3.93Å; M131-F133 HydrophobicContact CE-CE2 4.1Å; M131-F133 HydrophobicContact CE-CZ 3.27Å; M131-V139 WeakPolarHBondContact O-CA 3.13Å; M131-V140 PolarHBondContact N-O 2.91Å; M131-V140 PolarHBondContact O-N 3.47Å
132	S	98.1	Very high	96.7	Very high	70 Å²	70	50.3 Å²	50.3	49%	0.49	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	-178.9	-52.7	0	0	0	0	111.5
133	F	97.8	Very high	96.7	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.088	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	81.9	178	-57.4	-74.1	0	0	0	108.8	C90 W94 Y122 M131 D135 T136 G137 F138 V140	C90-F133 HydrophobicContact CB-CD1 3.86Å; C90-F133 HydrophobicContact CB-CE1 3.29Å; C90-F133 HydrophobicContact CB-CZ 4.06Å; W94-F133 AromaticContact CD1-CD2 3.55Å; W94-F133 AromaticContact CD1-CE2 3.15Å; W94-F133 AromaticContact CD1-CZ 3.54Å; W94-F133 HydrophobicContact CG-CD2 4.35Å; W94-F133 HydrophobicContact CG-CE2 4.19Å; W94-F133 AromaticContact NE1-CE2 3.3Å; W94-F133 VanDerWaalsContact NE1-CE2 3.3Å; W94-F133 AromaticContact NE1-CZ 3.51Å; Y122-F133 WeakPolarHBondContact O-CZ 3.45Å; M131-F133 HydrophobicContact CB-CE2 4.31Å; M131-F133 HydrophobicContact CB-CZ 4.33Å; M131-F133 HydrophobicContact CE-CE1 3.93Å; M131-F133 HydrophobicContact CE-CE2 4.1Å; M131-F133 HydrophobicContact CE-CZ 3.27Å; F133-D135 VanDerWaalsContact C-N 3.31Å; F133-D135 PolarHBondContact O-N 3.44Å; F133-T136 PolarHBondContact O-N 2.91Å; F133-G137 PolarHBondContact O-N 3.45Å; F133-F138 HydrophobicContact CB-CB 4.47Å; F133-F138 PolarHBondContact N-O 2.91Å; F133-F138 PolarHBondContact O-N 3.38Å; F133-V140 HydrophobicContact CD2-CG2 4.15Å; F133-V140 HydrophobicContact CE2-CB 4.32Å; F133-V140 HydrophobicContact CE2-CG2 3.72Å
134	T	95.4	Very high	96.6	Very high	130 Å²	130	57 Å²	57	80%	0.798	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-26	-171.7	51.7	0	0	0	0	113.4	T136	T134-T136 PolarHBondContact O-N 3.26Å
135	D	94.3	Very high	96.6	Very high	96 Å²	96	60.2 Å²	60.2	51%	0.513	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37	173.9	58	-39.4	0	0	0	112	F133	F133-D135 VanDerWaalsContact C-N 3.31Å; F133-D135 PolarHBondContact O-N 3.44Å
136	T	96.4	Very high	96.6	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.055	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-11.7	179.1	49.4	0	0	0	0	114.5	G91 L95 F133 T134	G91-T136 VanDerWaalsContact C-CG2 3.41Å; G91-T136 WeakPolarHBondContact CA-OG1 3.45Å; G91-T136 PolarHBondContact O-OG1 2.99Å; L95-T136 HydrophobicContact CB-CG2 4.05Å; L95-T136 HydrophobicContact CD2-CG2 4.12Å; F133-T136 PolarHBondContact O-N 2.91Å; T134-T136 PolarHBondContact O-N 3.26Å
137	G	97.1	Very high	96.7	Very high	6 Å²	6	65.2 Å²	65.2	6%	0.062	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	44.1	179.9	0	0	0	0	0	113.7	F133 T161	F133-G137 PolarHBondContact O-N 3.45Å; G137-T161 VanDerWaalsContact C-OG1 3.29Å; G137-T161 WeakPolarHBondContact CA-OG1 3.38Å; G137-T161 PolarHBondContact O-N 3Å; G137-T161 PolarHBondContact O-OG1 3.37Å
138	F	98.4	Very high	96.7	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.3	178	-71.1	-80	0	0	0	112.5	L95 W98 F133 L158 E159 N160	L95-F138 HydrophobicContact CB-CE2 3.94Å; L95-F138 HydrophobicContact CD1-CE2 3.66Å; L95-F138 HydrophobicContact CD1-CZ 4.05Å; L95-F138 HydrophobicContact CG-CE2 4.43Å; W98-F138 HydrophobicContact CB-CE1 3.74Å; W98-F138 HydrophobicContact CB-CZ 3.65Å; W98-F138 AromaticContact CD1-CZ 3.96Å; W98-F138 AromaticContact CD2-CE1 3.65Å; W98-F138 HydrophobicContact CD2-CE1 3.65Å; W98-F138 HydrophobicContact CD2-CZ 4.17Å; W98-F138 AromaticContact CE3-CE1 3.85Å; W98-F138 HydrophobicContact CE3-CE1 3.85Å; W98-F138 AromaticContact CG-CE1 3.59Å; W98-F138 HydrophobicContact CG-CE1 3.59Å; W98-F138 AromaticContact CG-CZ 3.63Å; W98-F138 HydrophobicContact CG-CZ 3.63Å; F133-F138 HydrophobicContact CB-CB 4.47Å; F133-F138 PolarHBondContact N-O 2.91Å; F133-F138 PolarHBondContact O-N 3.38Å; F138-L158 HydrophobicContact CB-CD1 4.06Å; F138-L158 HydrophobicContact CD1-CD1 3.67Å; F138-L158 HydrophobicContact CD1-CG 4.11Å; F138-L158 HydrophobicContact CE1-CD1 4.49Å; F138-L158 HydrophobicContact CG-CD1 4.1Å; F138-E159 VanDerWaalsContact CA-O 3.3Å; F138-E159 WeakPolarHBondContact CA-O 3.47Å; F138-E159 WeakPolarHBondContact CD1-O 3.41Å; F138-N160 HydrophobicContact CD1-CB 4.26Å; F138-N160 HydrophobicContact CE1-CB 3.77Å
139	V	98.8	Very high	96.6	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.1	165.5	177.2	0	0	0	0	108.3	M131 R141 E159 T161	M131-V139 WeakPolarHBondContact O-CA 3.13Å; V139-R141 HydrophobicContact CG1-CG 4.1Å; V139-E159 HydrophobicContact CB-CB 4.5Å; V139-E159 PolarHBondContact N-O 3.31Å; V139-E159 PolarHBondContact O-N 3.42Å; V139-T161 HydrophobicContact CB-CG2 4.42Å; V139-T161 HydrophobicContact CG2-CG2 3.64Å
140	V	98.8	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.7	175.5	-176.4	0	0	0	0	108.6	W94 P124 Q130 M131 F133 L156 E157 L158	W94-V140 HydrophobicContact CD2-CG2 3.79Å; W94-V140 HydrophobicContact CE3-CG2 4.36Å; W94-V140 HydrophobicContact CG-CG2 3.99Å; W94-V140 HydrophobicContact CH2-CG1 4.37Å; W94-V140 HydrophobicContact CZ2-CG1 4.08Å; W94-V140 HydrophobicContact CZ2-CG2 4.12Å; P124-V140 HydrophobicContact CG-CG1 4.2Å; Q130-V140 CarbonylContact C-O 3.57Å; Q130-V140 WeakPolarHBondContact CA-O 3.42Å; M131-V140 PolarHBondContact N-O 2.91Å; M131-V140 PolarHBondContact O-N 3.47Å; F133-V140 HydrophobicContact CD2-CG2 4.15Å; F133-V140 HydrophobicContact CE2-CB 4.32Å; F133-V140 HydrophobicContact CE2-CG2 3.72Å; V140-L156 HydrophobicContact CG1-CB 4.14Å; V140-L156 HydrophobicContact CG1-CD1 4.12Å; V140-L156 HydrophobicContact CG1-CG 4.5Å; V140-E157 CarbonylContact C-O 3.49Å; V140-E157 VanDerWaalsContact CA-O 3.24Å; V140-E157 WeakPolarHBondContact CA-O 3.04Å; V140-L158 HydrophobicContact CG2-CD1 3.7Å
141	R	98.8	Very high	96.4	Very high	64 Å²	64	50.6 Å²	50.6	24%	0.242	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.4	177.5	-52.4	-170.6	-179.9	75.6	2	111.2	L129 Q130 V139 L156 E157 E159	L129-R141 CarbonylContact O-C 3.53Å; L129-R141 WeakPolarHBondContact O-CA 3.47Å; Q130-R141 HydrophobicContact CB-CB 4.5Å; Q130-R141 HydrophobicContact CB-CG 3.91Å; V139-R141 HydrophobicContact CG1-CG 4.1Å; R141-L156 CarbonylContact O-C 3.52Å; R141-L156 WeakPolarHBondContact O-CA 3.44Å; R141-E157 HydrophobicContact CB-CB 4.23Å; R141-E157 WeakPolarHBondContact CD-OE2 3.4Å; R141-E157 IonicContact CZ-OE2 3.37Å; R141-E157 PolarHBondContact N-O 3.1Å; R141-E157 IonicContact NE-OE2 3.25Å; R141-E157 IonicContact NH1-OE2 3.84Å; R141-E157 PolarHBondContact NH1-OE2 3.33Å; R141-E157 PolarHBondContact O-N 3.08Å; R141-E159 IonicContact CZ-OE2 2.75Å; R141-E159 IonicContact NH1-OE2 3.37Å; R141-E159 PolarHBondContact NH1-OE2 3.07Å; R141-E159 IonicContact NH2-OE2 3.2Å; R141-E159 PolarHBondContact NH2-OE2 3.4Å
142	L	98.8	Very high	96.4	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.12	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.6	171.3	-177.5	62.3	0	0	0	109	P124 L129 S144 E145 R154 L156	P124-L142 HydrophobicContact CB-CB 4.47Å; P124-L142 HydrophobicContact CG-CB 4.02Å; L129-L142 PolarHBondContact O-N 3.27Å; L142-S144 VanDerWaalsContact CD1-O 3.32Å; L142-S144 WeakPolarHBondContact CD1-O 3.41Å; L142-E145 HydrophobicContact CD1-CB 4.42Å; L142-R154 HydrophobicContact CD1-CB 3.95Å; L142-R154 HydrophobicContact CD1-CG 4.03Å; L142-L156 HydrophobicContact CB-CD2 4.43Å; L142-L156 HydrophobicContact CD1-CD2 3.71Å
143	L	98.4	Very high	96.4	Very high	86 Å²	86	47.5 Å²	47.5	45%	0.45	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-44.2	175.9	-60.2	-177.5	0	0	0	111.3	V155 E157 E168	L143-V155 HydrophobicContact CB-CB 4.37Å; L143-V155 HydrophobicContact CB-CG1 4.38Å; L143-V155 WeakPolarHBondContact CB-O 3.49Å; L143-V155 HydrophobicContact CD1-CG1 4.1Å; L143-V155 PolarHBondContact N-O 3.42Å; L143-E157 HydrophobicContact CD1-CB 3.99Å; L143-E157 HydrophobicContact CD2-CB 4.06Å; L143-E157 HydrophobicContact CG-CB 4.01Å; L143-E168 HydrophobicContact CD1-CG 4.19Å
144	S	98	Very high	96.4	Very high	62 Å²	62	47.5 Å²	47.5	43%	0.434	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.9	176.9	66.6	0	0	0	0	111.9	L142 R154 V155	L142-S144 VanDerWaalsContact CD1-O 3.32Å; L142-S144 WeakPolarHBondContact CD1-O 3.41Å; S144-R154 VanDerWaalsContact O-CA 3.24Å; S144-R154 WeakPolarHBondContact O-CA 3.43Å; S144-V155 PolarHBondContact N-O 2.89Å; S144-V155 PolarHBondContact O-N 3.39Å; S144-V155 WeakPolarHBondContact OG-CB 3.3Å; S144-V155 WeakPolarHBondContact OG-CG2 3.35Å
145	E	97.7	Very high	96.6	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.318	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	127.8	176.9	-179.3	169.3	72.3	0	0	108.8	L142 T152 I153 R154	L142-E145 HydrophobicContact CD1-CB 4.42Å; E145-T152 HydrophobicContact CG-CG2 3.66Å; E145-I153 WeakPolarHBondContact CA-O 3.28Å; E145-R154 HydrophobicContact CB-CG 4.26Å; E145-R154 HydrophobicContact CG-CG 4.09Å; E145-R154 IonicContact OE2-CZ 2.76Å; E145-R154 IonicContact OE2-NE 2.98Å; E145-R154 PolarHBondContact OE2-NE 3.15Å; E145-R154 IonicContact OE2-NH2 3.96Å; E145-R154 PolarHBondContact OE2-NH2 2.59Å
146	E	96.4	Very high	96.8	Very high	108 Å²	108	37.9 Å²	37.9	51%	0.505	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.5	176.3	-172.7	-173.4	157.4	0	0	109.4	Q148 T152 I153	E146-Q148 PolarHBondContact OE1-NE2 3.33Å; E146-T152 WeakPolarHBondContact O-CA 3.25Å; E146-I153 PolarHBondContact N-O 3.16Å; E146-I153 PolarHBondContact O-N 3.43Å
147	D	93.8	Very high	96.9	Very high	109 Å²	109	39.7 Å²	39.7	58%	0.583	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.6	178.4	-73.1	-39.2	0	0	0	111.5	T152	D147-T152 WeakPolarHBondContact OD1-CB 3.5Å; D147-T152 WeakPolarHBondContact OD1-CG2 3.43Å; D147-T152 PolarHBondContact OD1-OG1 3.07Å
148	Q	91.8	Very high	97	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.192	21%	0.206	C	C	.	.			trans	-121.1	169	171.2	-59.5	-69	-18	0	0	109.3	E146 H150 Y151 R295	E146-Q148 PolarHBondContact OE1-NE2 3.33Å; Q148-H150 PolarHBondContact O-N 3.36Å; Q148-H150 VanDerWaalsContact O-N 3.15Å; Q148-Y151 CarbonylContact C-O 3.51Å; Q148-Y151 WeakPolarHBondContact CA-O 3.42Å; Q148-Y151 HydrophobicContact CB-CD1 4.44Å; Q148-Y151 HydrophobicContact CB-CD2 4.09Å; Q148-Y151 HydrophobicContact CB-CE1 4.21Å; Q148-Y151 HydrophobicContact CB-CE2 3.83Å; Q148-Y151 HydrophobicContact CB-CG 4.37Å; Q148-Y151 VanDerWaalsContact CB-O 3.28Å; Q148-Y151 WeakPolarHBondContact CB-O 3.43Å; Q148-Y151 HydrophobicContact CG-CD2 4.2Å; Q148-Y151 HydrophobicContact CG-CE2 3.58Å; Q148-Y151 PolarHBondContact N-O 3.3Å; Q148-Y151 VanDerWaalsContact O-O 3.08Å; Q148-R295 VanDerWaalsContact OE1-CZ 3.29Å; Q148-R295 VanDerWaalsContact OE1-NH1 3.15Å
149	S	89.9	Confident	97	Very high	73 Å²	73	41.2 Å²	41.2	51%	0.51	21%	0.214	S	C	.	.	S	Bend	trans	-58.9	-31.2	-173.8	-55.1	0	0	0	0	114.4
150	H	91.9	Very high	97	Very high	43 Å²	43	41.4 Å²	41.4	20%	0.199	21%	0.214	C	C	.	.	S	Bend	trans	-121.6	-10.5	-174.6	-59.6	-47.1	0	0	0	114.5	Q148 T175 T176	Q148-H150 PolarHBondContact O-N 3.36Å; Q148-H150 VanDerWaalsContact O-N 3.15Å; H150-T175 PolarHBondContact O-N 3.43Å; H150-T175 PolarHBondContact O-OG1 3.36Å; H150-T176 HydrophobicContact CB-CG2 4.48Å
151	Y	95.7	Very high	96.9	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.1	-177.9	61	-95.2	0	0	0	111.1	Q148 I153 H173 F192	Q148-Y151 CarbonylContact C-O 3.51Å; Q148-Y151 WeakPolarHBondContact CA-O 3.42Å; Q148-Y151 HydrophobicContact CB-CD1 4.44Å; Q148-Y151 HydrophobicContact CB-CD2 4.09Å; Q148-Y151 HydrophobicContact CB-CE1 4.21Å; Q148-Y151 HydrophobicContact CB-CE2 3.83Å; Q148-Y151 HydrophobicContact CB-CG 4.37Å; Q148-Y151 VanDerWaalsContact CB-O 3.28Å; Q148-Y151 WeakPolarHBondContact CB-O 3.43Å; Q148-Y151 HydrophobicContact CG-CD2 4.2Å; Q148-Y151 HydrophobicContact CG-CE2 3.58Å; Q148-Y151 PolarHBondContact N-O 3.3Å; Q148-Y151 VanDerWaalsContact O-O 3.08Å; Y151-I153 HydrophobicContact CD2-CD1 4.26Å; Y151-I153 HydrophobicContact CD2-CG1 3.82Å; Y151-I153 HydrophobicContact CE2-CD1 3.74Å; Y151-I153 HydrophobicContact CE2-CG1 3.81Å; Y151-H173 CarbonylContact C-O 3.58Å; Y151-H173 WeakPolarHBondContact CA-O 3.5Å; Y151-H173 VanDerWaalsContact CB-O 3.25Å; Y151-H173 WeakPolarHBondContact CB-O 3.32Å; Y151-F192 HydrophobicContact CD1-CB 4.05Å; Y151-F192 AromaticContact CD1-CD2 3.82Å; Y151-F192 HydrophobicContact CD1-CD2 3.82Å; Y151-F192 HydrophobicContact CD1-CG 4.42Å; Y151-F192 HydrophobicContact CD2-CD2 4.01Å; Y151-F192 HydrophobicContact CD2-CE2 4.47Å; Y151-F192 HydrophobicContact CE1-CB 4.39Å; Y151-F192 AromaticContact CG-CD2 3.53Å; Y151-F192 HydrophobicContact CG-CD2 3.53Å; Y151-F192 HydrophobicContact CG-CE2 4.16Å
152	T	97.5	Very high	96.8	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137	171.3	-58.3	0	0	0	0	108.2	E145 E146 D147 R154 H173	E145-T152 HydrophobicContact CG-CG2 3.66Å; E146-T152 WeakPolarHBondContact O-CA 3.25Å; D147-T152 WeakPolarHBondContact OD1-CB 3.5Å; D147-T152 WeakPolarHBondContact OD1-CG2 3.43Å; D147-T152 PolarHBondContact OD1-OG1 3.07Å; T152-R154 HydrophobicContact CG2-CG 4.2Å; T152-H173 PolarHBondContact N-O 3.49Å; T152-H173 PolarHBondContact O-N 3.49Å
153	I	98.4	Very high	96.7	Very high	25 Å²	25	51.6 Å²	51.6	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.9	171.9	-55.4	-179.8	0	0	0	107.8	E145 E146 Y151 F172 K195	E145-I153 WeakPolarHBondContact CA-O 3.28Å; E146-I153 PolarHBondContact N-O 3.16Å; E146-I153 PolarHBondContact O-N 3.43Å; Y151-I153 HydrophobicContact CD2-CD1 4.26Å; Y151-I153 HydrophobicContact CD2-CG1 3.82Å; Y151-I153 HydrophobicContact CE2-CD1 3.74Å; Y151-I153 HydrophobicContact CE2-CG1 3.81Å; I153-F172 HydrophobicContact CD1-CD1 4.09Å; I153-F172 HydrophobicContact CD1-CE1 3.93Å; I153-F172 HydrophobicContact CG1-CD1 3.89Å; I153-F172 HydrophobicContact CG1-CE1 4.16Å; I153-F172 HydrophobicContact CG2-CD1 4.17Å; I153-F172 HydrophobicContact CG2-CE1 4Å; I153-K195 HydrophobicContact CD1-CB 4.48Å
154	R	98.6	Very high	96.7	Very high	20 Å²	20	50 Å²	50	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.2	171.4	-58	174.7	-179	86.4	19.5	110.1	L142 S144 E145 T152 L156 H171 H173	L142-R154 HydrophobicContact CD1-CB 3.95Å; L142-R154 HydrophobicContact CD1-CG 4.03Å; S144-R154 VanDerWaalsContact O-CA 3.24Å; S144-R154 WeakPolarHBondContact O-CA 3.43Å; E145-R154 HydrophobicContact CB-CG 4.26Å; E145-R154 HydrophobicContact CG-CG 4.09Å; E145-R154 IonicContact OE2-CZ 2.76Å; E145-R154 IonicContact OE2-NE 2.98Å; E145-R154 PolarHBondContact OE2-NE 3.15Å; E145-R154 IonicContact OE2-NH2 3.96Å; E145-R154 PolarHBondContact OE2-NH2 2.59Å; T152-R154 HydrophobicContact CG2-CG 4.2Å; R154-L156 HydrophobicContact CB-CD2 4.22Å; R154-L156 HydrophobicContact CB-CG 4.45Å; R154-H171 HydrophobicContact CB-CB 4.18Å; R154-H171 PolarHBondContact N-O 2.88Å; R154-H171 PolarHBondContact NH1-CE1 2.92Å; R154-H171 PolarHBondContact NH1-ND1 2.87Å; R154-H171 PolarHBondContact O-N 2.91Å; R154-H173 PolarHBondContact NH1-ND1 3.07Å
155	V	98.7	Very high	96.7	Very high	24 Å²	24	52.3 Å²	52.3	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.7	160.9	-173.5	0	0	0	0	107.2	L143 S144 E168 Y170	L143-V155 HydrophobicContact CB-CB 4.37Å; L143-V155 HydrophobicContact CB-CG1 4.38Å; L143-V155 WeakPolarHBondContact CB-O 3.49Å; L143-V155 HydrophobicContact CD1-CG1 4.1Å; L143-V155 PolarHBondContact N-O 3.42Å; S144-V155 PolarHBondContact N-O 2.89Å; S144-V155 PolarHBondContact O-N 3.39Å; S144-V155 WeakPolarHBondContact OG-CB 3.3Å; S144-V155 WeakPolarHBondContact OG-CG2 3.35Å; V155-E168 HydrophobicContact CG1-CB 4.36Å; V155-E168 HydrophobicContact CG1-CG 4.47Å; V155-Y170 HydrophobicContact CG2-CD1 4.02Å; V155-Y170 HydrophobicContact CG2-CE1 3.81Å
156	L	98.9	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.7	179	-56.2	176.9	0	0	0	109.4	W94 W123 P124 V140 R141 L142 R154 E168 I169 H171	W94-L156 HydrophobicContact CH2-CD1 3.71Å; W94-L156 HydrophobicContact CZ2-CD1 4.24Å; W123-L156 HydrophobicContact CB-CD1 4.12Å; P124-L156 HydrophobicContact CG-CD2 4.45Å; V140-L156 HydrophobicContact CG1-CB 4.14Å; V140-L156 HydrophobicContact CG1-CD1 4.12Å; V140-L156 HydrophobicContact CG1-CG 4.5Å; R141-L156 CarbonylContact O-C 3.52Å; R141-L156 WeakPolarHBondContact O-CA 3.44Å; L142-L156 HydrophobicContact CB-CD2 4.43Å; L142-L156 HydrophobicContact CD1-CD2 3.71Å; R154-L156 HydrophobicContact CB-CD2 4.22Å; R154-L156 HydrophobicContact CB-CG 4.45Å; L156-E168 CarbonylContact O-C 3.45Å; L156-E168 WeakPolarHBondContact O-CA 3.07Å; L156-I169 HydrophobicContact CB-CB 4.49Å; L156-I169 PolarHBondContact N-O 3.19Å; L156-I169 PolarHBondContact O-N 3.3Å; L156-H171 HydrophobicContact CD1-CB 3.74Å; L156-H171 HydrophobicContact CG-CB 4.17Å
157	E	98.8	Very high	96.9	Very high	48 Å²	48	50.3 Å²	50.3	22%	0.224	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.5	163	-174.2	-174	-122	0	0	108.6	V140 R141 L143	V140-E157 CarbonylContact C-O 3.49Å; V140-E157 VanDerWaalsContact CA-O 3.24Å; V140-E157 WeakPolarHBondContact CA-O 3.04Å; R141-E157 HydrophobicContact CB-CB 4.23Å; R141-E157 WeakPolarHBondContact CD-OE2 3.4Å; R141-E157 IonicContact CZ-OE2 3.37Å; R141-E157 PolarHBondContact N-O 3.1Å; R141-E157 IonicContact NE-OE2 3.25Å; R141-E157 IonicContact NH1-OE2 3.84Å; R141-E157 PolarHBondContact NH1-OE2 3.33Å; R141-E157 PolarHBondContact O-N 3.08Å; L143-E157 HydrophobicContact CD1-CB 3.99Å; L143-E157 HydrophobicContact CD2-CB 4.06Å; L143-E157 HydrophobicContact CG-CB 4.01Å
158	L	98.8	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	109.5	169.5	177.1	63.9	0	0	0	108.5	W94 V97 W98 F138 V140 S166 R167 I169	W94-L158 HydrophobicContact CB-CD1 4.04Å; W94-L158 HydrophobicContact CD2-CD1 4.24Å; W94-L158 HydrophobicContact CE3-CD1 4.01Å; W94-L158 HydrophobicContact CE3-CD2 4.02Å; W94-L158 HydrophobicContact CG-CD1 4.28Å; V97-L158 HydrophobicContact CB-CD2 4.45Å; V97-L158 HydrophobicContact CG1-CD2 3.97Å; W98-L158 HydrophobicContact CB-CD2 4.2Å; W98-L158 HydrophobicContact CE3-CD2 3.94Å; W98-L158 HydrophobicContact CE3-CG 4.03Å; W98-L158 WeakPolarHBondContact CZ3-O 3.39Å; F138-L158 HydrophobicContact CB-CD1 4.06Å; F138-L158 HydrophobicContact CD1-CD1 3.67Å; F138-L158 HydrophobicContact CD1-CG 4.11Å; F138-L158 HydrophobicContact CE1-CD1 4.49Å; F138-L158 HydrophobicContact CG-CD1 4.1Å; V140-L158 HydrophobicContact CG2-CD1 3.7Å; L158-S166 CarbonylContact O-C 3.59Å; L158-S166 WeakPolarHBondContact O-CA 3.45Å; L158-R167 PolarHBondContact N-O 3.18Å; L158-R167 PolarHBondContact O-N 2.9Å; L158-I169 HydrophobicContact CB-CG1 3.82Å; L158-I169 HydrophobicContact CD2-CD1 4.5Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å
159	E	98.8	Very high	97.4	Very high	41 Å²	41	48.2 Å²	48.2	19%	0.192	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.5	177.9	-177	-166.8	149.9	0	0	110.5	F138 V139 R141 E165 S166	F138-E159 VanDerWaalsContact CA-O 3.3Å; F138-E159 WeakPolarHBondContact CA-O 3.47Å; F138-E159 WeakPolarHBondContact CD1-O 3.41Å; V139-E159 HydrophobicContact CB-CB 4.5Å; V139-E159 PolarHBondContact N-O 3.31Å; V139-E159 PolarHBondContact O-N 3.42Å; R141-E159 IonicContact CZ-OE2 2.75Å; R141-E159 IonicContact NH1-OE2 3.37Å; R141-E159 PolarHBondContact NH1-OE2 3.07Å; R141-E159 IonicContact NH2-OE2 3.2Å; R141-E159 PolarHBondContact NH2-OE2 3.4Å; E159-E165 WeakPolarHBondContact CA-O 3.39Å; E159-S166 WeakPolarHBondContact CB-OG 3.2Å
160	N	98.4	Very high	97.8	Very high	18 Å²	18	48 Å²	48	10%	0.096	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	108.1	166.2	-177	-27.5	0	0	0	109.6	W98 F138 K162 T163 G164 E165	W98-N160 HydrophobicContact CD2-CB 4.46Å; W98-N160 HydrophobicContact CH2-CB 3.87Å; W98-N160 HydrophobicContact CZ2-CB 3.76Å; W98-N160 HydrophobicContact CZ3-CB 4.27Å; F138-N160 HydrophobicContact CD1-CB 4.26Å; F138-N160 HydrophobicContact CE1-CB 3.77Å; N160-K162 PolarHBondContact O-N 2.75Å; N160-K162 WeakPolarHBondContact OD1-CB 3.24Å; N160-K162 PolarHBondContact OD1-N 3.14Å; N160-T163 WeakPolarHBondContact CB-OG1 3.18Å; N160-T163 PolarHBondContact O-N 3.29Å; N160-T163 PolarHBondContact OD1-N 2.77Å; N160-G164 WeakPolarHBondContact O-CA 3.26Å; N160-G164 PolarHBondContact O-N 3.36Å; N160-E165 PolarHBondContact N-O 2.82Å
161	T	97.6	Very high	98.2	Very high	69 Å²	69	45.9 Å²	45.9	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.2	-174	63.1	0	0	0	0	113.8	G137 V139	G137-T161 VanDerWaalsContact C-OG1 3.29Å; G137-T161 WeakPolarHBondContact CA-OG1 3.38Å; G137-T161 PolarHBondContact O-N 3Å; G137-T161 PolarHBondContact O-OG1 3.37Å; V139-T161 HydrophobicContact CB-CG2 4.42Å; V139-T161 HydrophobicContact CG2-CG2 3.64Å
162	K	95.9	Very high	98.3	Very high	149 Å²	149	45.8 Å²	45.8	65%	0.648	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.2	176.8	-59.6	175.7	-178	169.2	0	111.7	N160	N160-K162 PolarHBondContact O-N 2.75Å; N160-K162 WeakPolarHBondContact OD1-CB 3.24Å; N160-K162 PolarHBondContact OD1-N 3.14Å
163	T	97.3	Very high	98.4	Very high	83 Å²	83	46 Å²	46	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-21.7	-177.4	63.9	0	0	0	0	113.4	N160 E165	N160-T163 WeakPolarHBondContact CB-OG1 3.18Å; N160-T163 PolarHBondContact O-N 3.29Å; N160-T163 PolarHBondContact OD1-N 2.77Å; T163-E165 PolarHBondContact O-N 3.16Å; T163-E165 PolarHBondContact OG1-N 2.89Å
164	G	97.6	Very high	98.3	Very high	51 Å²	51	44.9 Å²	44.9	53%	0.526	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	5.6	-171.4	0	0	0	0	0	113.8	N160	N160-G164 WeakPolarHBondContact O-CA 3.26Å; N160-G164 PolarHBondContact O-N 3.36Å
165	E	98.5	Very high	98.1	Very high	112 Å²	112	45.7 Å²	45.7	52%	0.523	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	139.3	176.5	-65.9	-177.5	164.1	0	0	111	W98 E159 N160 T163	W98-E165 HydrophobicContact CH2-CB 3.69Å; W98-E165 WeakPolarHBondContact CH2-O 3.42Å; W98-E165 HydrophobicContact CZ2-CB 4.05Å; E159-E165 WeakPolarHBondContact CA-O 3.39Å; N160-E165 PolarHBondContact N-O 2.82Å; T163-E165 PolarHBondContact O-N 3.16Å; T163-E165 PolarHBondContact OG1-N 2.89Å
166	S	98.6	Very high	97.8	Very high	55 Å²	55	47.5 Å²	47.5	39%	0.385	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.9	176.6	-68.3	0	0	0	0	111.9	L158 E159	L158-S166 CarbonylContact O-C 3.59Å; L158-S166 WeakPolarHBondContact O-CA 3.45Å; E159-S166 WeakPolarHBondContact CB-OG 3.2Å
167	R	98.6	Very high	97.4	Very high	78 Å²	78	47.6 Å²	47.6	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.4	173.9	-63.2	175.7	-168.3	172.1	3.7	110.3	W98 L158 I169	W98-R167 HydrophobicContact CE3-CG 4.28Å; W98-R167 HydrophobicContact CH2-CG 3.97Å; W98-R167 HydrophobicContact CZ3-CB 4.14Å; W98-R167 HydrophobicContact CZ3-CG 3.58Å; W98-R167 PolarHBondContact O-NH1 2.92Å; L158-R167 PolarHBondContact N-O 3.18Å; L158-R167 PolarHBondContact O-N 2.9Å; R167-I169 HydrophobicContact CB-CD1 4.31Å
168	E	98.6	Very high	96.5	Very high	104 Å²	104	47.9 Å²	47.9	49%	0.486	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127	169.5	-68.7	-176.9	165.7	0	0	110.9	K103 L143 V155 L156	K103-E168 WeakPolarHBondContact CD-O 3.36Å; K103-E168 PolarHBondContact NZ-O 3.42Å; L143-E168 HydrophobicContact CD1-CG 4.19Å; V155-E168 HydrophobicContact CG1-CB 4.36Å; V155-E168 HydrophobicContact CG1-CG 4.47Å; L156-E168 CarbonylContact O-C 3.45Å; L156-E168 WeakPolarHBondContact O-CA 3.07Å
169	I	98.9	Very high	95	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.2	179.5	-50.5	-61.2	0	0	0	108.9	W94 V97 S102 K103 V105 L156 L158 R167	W94-I169 HydrophobicContact CZ3-CG2 4.35Å; V97-I169 HydrophobicContact CG1-CD1 4.07Å; V97-I169 HydrophobicContact CG1-CG1 4.41Å; V97-I169 HydrophobicContact CG1-CG2 4.44Å; S102-I169 VanDerWaalsContact O-CD1 3.3Å; S102-I169 WeakPolarHBondContact O-CD1 3.49Å; K103-I169 WeakPolarHBondContact O-CA 3.48Å; V105-I169 HydrophobicContact CG2-CG2 4.14Å; L156-I169 HydrophobicContact CB-CB 4.49Å; L156-I169 PolarHBondContact N-O 3.19Å; L156-I169 PolarHBondContact O-N 3.3Å; L158-I169 HydrophobicContact CB-CG1 3.82Å; L158-I169 HydrophobicContact CD2-CD1 4.5Å; L158-I169 HydrophobicContact CD2-CG1 4.3Å; R167-I169 HydrophobicContact CB-CD1 4.31Å
170	Y	98.8	Very high	93.3	Very high	67 Å²	67	52.6 Å²	52.6	26%	0.263	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.5	168.6	-72.4	-71.2	0	0	0	110.2	K103 A104 V105 V155 F172 S201	K103-Y170 HydrophobicContact CG-CD2 4.38Å; K103-Y170 PolarHBondContact O-N 3.28Å; A104-Y170 CarbonylContact C-O 3.43Å; A104-Y170 WeakPolarHBondContact CA-O 3.21Å; V105-Y170 PolarHBondContact N-O 3.08Å; V155-Y170 HydrophobicContact CG2-CD1 4.02Å; V155-Y170 HydrophobicContact CG2-CE1 3.81Å; Y170-F172 HydrophobicContact CD1-CZ 4.39Å; Y170-F172 HydrophobicContact CG-CE2 4.08Å; Y170-F172 HydrophobicContact CG-CZ 4.15Å; Y170-S201 WeakPolarHBondContact CD2-OG 3.43Å
171	H	98.9	Very high	92.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	101.5	173.4	175.7	-81.3	0	0	0	109.8	V105 Y122 R154 L156	V105-H171 WeakPolarHBondContact O-CA 3.25Å; Y122-H171 AromaticContact CZ-NE2 3.73Å; Y122-H171 PolarHBondContact OH-CD2 2.83Å; Y122-H171 PolarHBondContact OH-NE2 2.74Å; R154-H171 HydrophobicContact CB-CB 4.18Å; R154-H171 PolarHBondContact N-O 2.88Å; R154-H171 PolarHBondContact NH1-CE1 2.92Å; R154-H171 PolarHBondContact NH1-ND1 2.87Å; R154-H171 PolarHBondContact O-N 2.91Å; L156-H171 HydrophobicContact CD1-CB 3.74Å; L156-H171 HydrophobicContact CG-CB 4.17Å
172	F	98.8	Very high	91.8	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	179.5	-63.7	-84.1	0	0	0	109.8	A104 V105 I106 M107 I153 Y170 F192 V196 S199	A104-F172 HydrophobicContact CB-CD2 4.07Å; A104-F172 HydrophobicContact CB-CE2 3.9Å; V105-F172 PolarHBondContact O-N 3.44Å; I106-F172 CarbonylContact C-O 3.56Å; I106-F172 WeakPolarHBondContact CA-O 3.44Å; I106-F172 HydrophobicContact CG1-CB 4.39Å; I106-F172 HydrophobicContact CG1-CD2 4.34Å; M107-F172 PolarHBondContact N-O 3.07Å; I153-F172 HydrophobicContact CD1-CD1 4.09Å; I153-F172 HydrophobicContact CD1-CE1 3.93Å; I153-F172 HydrophobicContact CG1-CD1 3.89Å; I153-F172 HydrophobicContact CG1-CE1 4.16Å; I153-F172 HydrophobicContact CG2-CD1 4.17Å; I153-F172 HydrophobicContact CG2-CE1 4Å; Y170-F172 HydrophobicContact CD1-CZ 4.39Å; Y170-F172 HydrophobicContact CG-CE2 4.08Å; Y170-F172 HydrophobicContact CG-CZ 4.15Å; F172-F192 HydrophobicContact CB-CE2 3.72Å; F172-F192 HydrophobicContact CB-CZ 3.63Å; F172-V196 HydrophobicContact CB-CG2 4.04Å; F172-V196 HydrophobicContact CD1-CG2 3.81Å; F172-V196 HydrophobicContact CD2-CG1 4.35Å; F172-V196 HydrophobicContact CD2-CG2 3.96Å; F172-V196 HydrophobicContact CE1-CG2 4.21Å; F172-V196 HydrophobicContact CE2-CG1 4.3Å; F172-V196 HydrophobicContact CE2-CG2 4.33Å; F172-V196 HydrophobicContact CG-CG2 3.68Å; F172-V196 HydrophobicContact CZ-CG2 4.46Å; F172-S199 WeakPolarHBondContact CZ-OG 3.37Å
173	H	98.6	Very high	91.3	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	104.1	-174.6	-172.3	-178	0	0	0	111.3	M107 N109 Y151 T152 R154 T175	M107-H173 CarbonylContact O-C 3.57Å; M107-H173 WeakPolarHBondContact O-CA 3.35Å; N109-H173 PolarHBondContact O-NE2 2.76Å; Y151-H173 CarbonylContact C-O 3.58Å; Y151-H173 WeakPolarHBondContact CA-O 3.5Å; Y151-H173 VanDerWaalsContact CB-O 3.25Å; Y151-H173 WeakPolarHBondContact CB-O 3.32Å; T152-H173 PolarHBondContact N-O 3.49Å; T152-H173 PolarHBondContact O-N 3.49Å; R154-H173 PolarHBondContact NH1-ND1 3.07Å; H173-T175 PolarHBondContact O-N 2.85Å
174	Y	97.4	Very high	90.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.2	171.7	-157.7	-74	0	0	0	110.2	M107 T176 W177 S188 F192	M107-Y174 PolarHBondContact O-N 3.02Å; Y174-T176 VanDerWaalsContact CE1-OG1 3.26Å; Y174-T176 WeakPolarHBondContact CE1-OG1 3.33Å; Y174-W177 HydrophobicContact CD1-CB 3.68Å; Y174-W177 HydrophobicContact CD1-CE3 4.39Å; Y174-W177 HydrophobicContact CE1-CB 3.97Å; Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 3.41Å; Y174-F192 HydrophobicContact CD2-CB 3.76Å; Y174-F192 AromaticContact CD2-CD1 3.68Å; Y174-F192 HydrophobicContact CD2-CD1 3.68Å; Y174-F192 AromaticContact CD2-CD2 3.94Å; Y174-F192 HydrophobicContact CD2-CD2 3.94Å; Y174-F192 HydrophobicContact CD2-CE1 4.18Å; Y174-F192 HydrophobicContact CD2-CE2 4.39Å; Y174-F192 AromaticContact CD2-CG 3.52Å; Y174-F192 HydrophobicContact CD2-CG 3.52Å; Y174-F192 HydrophobicContact CD2-CZ 4.49Å; Y174-F192 HydrophobicContact CE2-CB 3.8Å; Y174-F192 HydrophobicContact CE2-CD1 4.42Å; Y174-F192 HydrophobicContact CE2-CG 4.11Å
175	T	94.5	Very high	89.5	Confident	36 Å²	36	49.1 Å²	49.1	22%	0.221	25%	0.252	C	S	.	.			trans	-99.8	-18.8	-166.1	57.8	0	0	0	0	113.9	R110 H150 H173	R110-T175 WeakPolarHBondContact CD-O 3.36Å; H150-T175 PolarHBondContact O-N 3.43Å; H150-T175 PolarHBondContact O-OG1 3.36Å; H173-T175 PolarHBondContact O-N 2.85Å
176	T	91.6	Very high	89.2	Confident	62 Å²	62	44.8 Å²	44.8	38%	0.38	23%	0.234	S	C	.	.	S	Bend	trans	-104	6.7	-173.8	57.5	0	0	0	0	114.5	H150 Y174 P178	H150-T176 HydrophobicContact CB-CG2 4.48Å; Y174-T176 VanDerWaalsContact CE1-OG1 3.26Å; Y174-T176 WeakPolarHBondContact CE1-OG1 3.33Å; T176-P178 VanDerWaalsContact O-CD 3.24Å; T176-P178 WeakPolarHBondContact O-CD 3.46Å
177	W	89.8	Confident	88.7	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	23%	0.229	C	C	.	.			trans	-78.2	115.5	177.8	-160.2	-33.7	0	0	0	111.1	L108 Y174 G181 P183 F189 R219 T222	L108-W177 HydrophobicContact CB-CE3 4.48Å; L108-W177 HydrophobicContact CD1-CZ3 4.41Å; L108-W177 HydrophobicContact CD2-CE3 4.4Å; L108-W177 HydrophobicContact CD2-CZ3 4.34Å; Y174-W177 HydrophobicContact CD1-CB 3.68Å; Y174-W177 HydrophobicContact CD1-CE3 4.39Å; Y174-W177 HydrophobicContact CE1-CB 3.97Å; W177-G181 PolarHBondContact NE1-O 3.38Å; W177-G181 VanDerWaalsContact NE1-O 3.14Å; W177-P183 HydrophobicContact CD2-CG 3.81Å; W177-P183 HydrophobicContact CE3-CG 4.08Å; W177-P183 HydrophobicContact CG-CG 4.22Å; W177-P183 HydrophobicContact CH2-CG 4.46Å; W177-P183 HydrophobicContact CZ2-CG 4.22Å; W177-P183 HydrophobicContact CZ3-CG 4.4Å; W177-F189 HydrophobicContact CE3-CD2 4.44Å; W177-F189 AromaticContact CH2-CD2 3.97Å; W177-F189 HydrophobicContact CH2-CD2 3.97Å; W177-F189 AromaticContact CH2-CE2 3.85Å; W177-F189 HydrophobicContact CH2-CE2 3.85Å; W177-F189 AromaticContact CZ3-CD2 3.59Å; W177-F189 HydrophobicContact CZ3-CD2 3.59Å; W177-F189 AromaticContact CZ3-CE2 3.62Å; W177-F189 HydrophobicContact CZ3-CE2 3.62Å; W177-R219 HydrophobicContact CD2-CB 4.26Å; W177-R219 HydrophobicContact CD2-CG 3.91Å; W177-R219 HydrophobicContact CE3-CB 4.43Å; W177-R219 HydrophobicContact CG-CG 4.18Å; W177-R219 HydrophobicContact CH2-CB 4.25Å; W177-R219 HydrophobicContact CZ2-CB 4.07Å; W177-R219 HydrophobicContact CZ2-CG 3.96Å; W177-R219 HydrophobicContact CZ3-CB 4.41Å; W177-R219 PolarHBondContact O-NH1 3.21Å; W177-T222 HydrophobicContact CH2-CG2 3.62Å; W177-T222 HydrophobicContact CZ2-CG2 3.91Å
178	P	80.3	Confident	88.3	Confident	54 Å²	54	40.6 Å²	40.6	35%	0.351	22%	0.218	S	C	.	.			trans	-71.4	144.7	179.3	28.6	-34.8	0	0	0	113.4	T176 F180 G181 V182	T176-P178 VanDerWaalsContact O-CD 3.24Å; T176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-F180 PolarHBondContact O-N 3.22Å; P178-G181 PolarHBondContact O-N 2.79Å; P178-G181 VanDerWaalsContact O-N 3.15Å; P178-V182 WeakPolarHBondContact CG-O 3.28Å
179	D	66.6	Low	88.1	Confident	21 Å²	21	35.6 Å²	35.6	11%	0.112	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	127.4	176.4	-159.8	25.2	0	0	0	111.4	E113 K114 K118 G181 R219	E113-D179 HydrophobicContact CB-CB 4.42Å; E113-D179 WeakPolarHBondContact OE2-CB 3.28Å; K114-D179 PolarHBondContact NZ-O 3.4Å; K118-D179 VanDerWaalsContact CE-OD2 3.22Å; K118-D179 WeakPolarHBondContact CE-OD2 3.49Å; K118-D179 IonicContact NZ-OD2 3.53Å; K118-D179 PolarHBondContact NZ-OD2 2.89Å; D179-G181 PolarHBondContact O-N 3.25Å; D179-R219 IonicContact OD1-CZ 2.78Å; D179-R219 IonicContact OD1-NH2 3.14Å; D179-R219 PolarHBondContact OD1-NH2 2.99Å
180	F	63.4	Low	87.9	Confident	120 Å²	120	35.7 Å²	35.7	53%	0.526	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	5.8	-170.6	-58.7	-84.8	0	0	0	116.3	P178	P178-F180 PolarHBondContact O-N 3.22Å
181	G	80	Confident	87.6	Confident	20 Å²	20	33.7 Å²	33.7	21%	0.206	19%	0.189	C	C	.	.	S	Bend	trans	-102.5	-163.8	171.9	0	0	0	0	0	112.1	W177 P178 D179	W177-G181 PolarHBondContact NE1-O 3.38Å; W177-G181 VanDerWaalsContact NE1-O 3.14Å; P178-G181 PolarHBondContact O-N 2.79Å; P178-G181 VanDerWaalsContact O-N 3.15Å; D179-G181 PolarHBondContact O-N 3.25Å
182	V	85.2	Confident	87.5	Confident	43 Å²	43	33.7 Å²	33.7	26%	0.261	19%	0.189	S	C	.	.			trans	-127.4	157.9	175.7	-63.8	0	0	0	0	109.1	P178 D263 Q264 F267	P178-V182 WeakPolarHBondContact CG-O 3.28Å; V182-D263 HydrophobicContact CG1-CB 4.18Å; V182-D263 WeakPolarHBondContact CG1-O 3.24Å; V182-Q264 HydrophobicContact CG1-CG 4.09Å; V182-F267 HydrophobicContact CB-CB 3.97Å; V182-F267 HydrophobicContact CB-CD2 3.86Å; V182-F267 HydrophobicContact CB-CG 3.88Å; V182-F267 HydrophobicContact CG1-CB 3.63Å; V182-F267 HydrophobicContact CG1-CD2 4.46Å; V182-F267 HydrophobicContact CG1-CG 4.03Å; V182-F267 HydrophobicContact CG2-CD2 4.26Å
183	P	85.1	Confident	87.4	Confident	6 Å²	6	33.5 Å²	33.5	4%	0.039	19%	0.189	C	C	.	.			trans	-55.3	149.2	167.6	-22.9	35.6	0	0	0	110.7	W177 S185 F189 F267	W177-P183 HydrophobicContact CD2-CG 3.81Å; W177-P183 HydrophobicContact CE3-CG 4.08Å; W177-P183 HydrophobicContact CG-CG 4.22Å; W177-P183 HydrophobicContact CH2-CG 4.46Å; W177-P183 HydrophobicContact CZ2-CG 4.22Å; W177-P183 HydrophobicContact CZ3-CG 4.4Å; P183-S185 PolarHBondContact O-N 3Å; P183-F189 HydrophobicContact CB-CB 4.49Å; P183-F189 HydrophobicContact CG-CB 4.24Å; P183-F267 HydrophobicContact CB-CE2 3.94Å; P183-F267 HydrophobicContact CB-CZ 3.72Å; P183-F267 VanDerWaalsContact CD-CZ 3.45Å; P183-F267 HydrophobicContact CG-CE1 3.88Å; P183-F267 HydrophobicContact CG-CE2 4.07Å; P183-F267 HydrophobicContact CG-CZ 3.48Å; P183-F267 VanDerWaalsContact CG-CZ 3.48Å
184	E	76	Confident	87.3	Confident	200 Å²	200	33.2 Å²	33.2	94%	0.935	19%	0.187	S	C	*	.	S	Bend	trans	-61.2	-33.5	-177.7	-67.3	179.1	174.5	0	0	112.3
185	S	82.3	Confident	87.2	Confident	29 Å²	29	36.3 Å²	36.3	20%	0.203	20%	0.201	C	C	.	.			trans	-141	146.1	176.5	72.3	0	0	0	0	111.7	P183 A187 S188	P183-S185 PolarHBondContact O-N 3Å; S185-A187 PolarHBondContact O-N 3.16Å; S185-S188 PolarHBondContact O-OG 3.29Å
186	P	90.5	Very high	87.3	Confident	21 Å²	21	34.6 Å²	34.6	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-56.9	-29.6	170.4	-27.5	36	0	0	0	113.9	S188 F189 L190 F267 M270	P186-S188 PolarHBondContact O-N 2.8Å; P186-F189 PolarHBondContact O-N 3.49Å; P186-L190 HydrophobicContact CB-CD1 4.42Å; P186-L190 WeakPolarHBondContact O-CB 3.45Å; P186-L190 VanDerWaalsContact O-CG 3.29Å; P186-L190 WeakPolarHBondContact O-CG 3.37Å; P186-L190 PolarHBondContact O-N 3.18Å; P186-F267 HydrophobicContact CG-CE2 4.18Å; P186-M270 HydrophobicContact CG-CB 3.9Å; P186-M270 HydrophobicContact CG-CE 4.01Å
187	A	89.4	Confident	87.5	Confident	34 Å²	34	34.4 Å²	34.4	28%	0.281	18%	0.182	S	C	.	.	H	α-helix	trans	-60.2	-48.2	-176.2	0	0	0	0	0	112.6	S185 F189 L190 N191	S185-A187 PolarHBondContact O-N 3.16Å; A187-F189 VanDerWaalsContact C-N 3.33Å; A187-F189 PolarHBondContact O-N 3.39Å; A187-L190 PolarHBondContact O-N 3.08Å; A187-N191 WeakPolarHBondContact O-CB 3.33Å; A187-N191 PolarHBondContact O-N 2.81Å
188	S	89.4	Confident	87.8	Confident	10 Å²	10	38.3 Å²	38.3	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-41.1	178.3	59.7	0	0	0	0	112.6	Y174 S185 P186 F192	Y174-S188 WeakPolarHBondContact OH-CB 3.43Å; Y174-S188 PolarHBondContact OH-OG 3.41Å; S185-S188 PolarHBondContact O-OG 3.29Å; P186-S188 PolarHBondContact O-N 2.8Å; S188-F192 PolarHBondContact O-N 2.94Å
189	F	94.8	Very high	88.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-45.1	175.4	169.7	-91.3	0	0	0	112.3	W177 P183 P186 A187 F192 L193 F223 V226 F267	W177-F189 HydrophobicContact CE3-CD2 4.44Å; W177-F189 AromaticContact CH2-CD2 3.97Å; W177-F189 HydrophobicContact CH2-CD2 3.97Å; W177-F189 AromaticContact CH2-CE2 3.85Å; W177-F189 HydrophobicContact CH2-CE2 3.85Å; W177-F189 AromaticContact CZ3-CD2 3.59Å; W177-F189 HydrophobicContact CZ3-CD2 3.59Å; W177-F189 AromaticContact CZ3-CE2 3.62Å; W177-F189 HydrophobicContact CZ3-CE2 3.62Å; P183-F189 HydrophobicContact CB-CB 4.49Å; P183-F189 HydrophobicContact CG-CB 4.24Å; P186-F189 PolarHBondContact O-N 3.49Å; A187-F189 VanDerWaalsContact C-N 3.33Å; A187-F189 PolarHBondContact O-N 3.39Å; F189-F192 WeakPolarHBondContact O-CB 3.46Å; F189-F192 PolarHBondContact O-N 3.27Å; F189-L193 HydrophobicContact CE1-CD2 4.35Å; F189-L193 PolarHBondContact O-N 3.44Å; F189-F223 HydrophobicContact CE2-CB 4.37Å; F189-F223 AromaticContact CE2-CD2 3.99Å; F189-F223 HydrophobicContact CE2-CD2 3.99Å; F189-F223 HydrophobicContact CZ-CD2 4.17Å; F189-V226 HydrophobicContact CE1-CB 3.93Å; F189-V226 HydrophobicContact CE1-CG1 3.74Å; F189-V226 HydrophobicContact CE1-CG2 4.08Å; F189-V226 HydrophobicContact CZ-CB 4.13Å; F189-V226 HydrophobicContact CZ-CG1 4.41Å; F189-V226 HydrophobicContact CZ-CG2 4.3Å; F189-F267 HydrophobicContact CB-CE1 4.17Å; F189-F267 HydrophobicContact CB-CZ 3.77Å; F189-F267 HydrophobicContact CD1-CE1 4.16Å; F189-F267 HydrophobicContact CD1-CZ 4.41Å; F189-F267 HydrophobicContact CD2-CE1 4.26Å; F189-F267 AromaticContact CG-CE1 3.91Å; F189-F267 HydrophobicContact CG-CE1 3.91Å; F189-F267 HydrophobicContact CG-CZ 4.03Å
190	L	95.5	Very high	89.9	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-42.4	-179.9	-75.6	171.5	0	0	0	111.7	P186 A187 F192 L193 F194 V226 L230 E274	P186-L190 HydrophobicContact CB-CD1 4.42Å; P186-L190 WeakPolarHBondContact O-CB 3.45Å; P186-L190 VanDerWaalsContact O-CG 3.29Å; P186-L190 WeakPolarHBondContact O-CG 3.37Å; P186-L190 PolarHBondContact O-N 3.18Å; A187-L190 PolarHBondContact O-N 3.08Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 3.44Å; L190-L193 HydrophobicContact CD2-CD2 4.38Å; L190-L193 PolarHBondContact O-N 3.46Å; L190-F194 HydrophobicContact CB-CD2 4.36Å; L190-F194 HydrophobicContact CB-CE2 4.03Å; L190-F194 HydrophobicContact CD2-CZ 4.47Å; L190-F194 WeakPolarHBondContact O-CD2 3.3Å; L190-F194 VanDerWaalsContact O-CG 3.32Å; L190-F194 WeakPolarHBondContact O-CG 3.39Å; L190-F194 PolarHBondContact O-N 3.36Å; L190-V226 HydrophobicContact CD2-CG1 4.41Å; L190-L230 HydrophobicContact CD2-CD1 4.04Å; L190-E274 HydrophobicContact CD1-CB 3.89Å; L190-E274 HydrophobicContact CD1-CG 3.97Å
191	N	92.4	Very high	91.4	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-45.7	173.1	176.6	44.1	0	0	0	111.4	A187 F194 K195 I291	A187-N191 WeakPolarHBondContact O-CB 3.33Å; A187-N191 PolarHBondContact O-N 2.81Å; N191-F194 PolarHBondContact O-N 3.31Å; N191-K195 WeakPolarHBondContact O-CG 3.33Å; N191-K195 PolarHBondContact O-N 2.97Å; N191-I291 HydrophobicContact CB-CG2 3.88Å; N191-I291 WeakPolarHBondContact OD1-CG2 3.23Å
192	F	96.2	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-47.1	174.5	174.5	-102.2	0	0	0	112.5	I106 L108 Y151 F172 Y174 S188 F189 L190 F194 K195 V196 F223	I106-F192 HydrophobicContact CG2-CE1 3.82Å; I106-F192 HydrophobicContact CG2-CZ 3.95Å; L108-F192 HydrophobicContact CD2-CE1 3.86Å; L108-F192 HydrophobicContact CD2-CZ 4.38Å; Y151-F192 HydrophobicContact CD1-CB 4.05Å; Y151-F192 AromaticContact CD1-CD2 3.82Å; Y151-F192 HydrophobicContact CD1-CD2 3.82Å; Y151-F192 HydrophobicContact CD1-CG 4.42Å; Y151-F192 HydrophobicContact CD2-CD2 4.01Å; Y151-F192 HydrophobicContact CD2-CE2 4.47Å; Y151-F192 HydrophobicContact CE1-CB 4.39Å; Y151-F192 AromaticContact CG-CD2 3.53Å; Y151-F192 HydrophobicContact CG-CD2 3.53Å; Y151-F192 HydrophobicContact CG-CE2 4.16Å; F172-F192 HydrophobicContact CB-CE2 3.72Å; F172-F192 HydrophobicContact CB-CZ 3.63Å; Y174-F192 HydrophobicContact CD2-CB 3.76Å; Y174-F192 AromaticContact CD2-CD1 3.68Å; Y174-F192 HydrophobicContact CD2-CD1 3.68Å; Y174-F192 AromaticContact CD2-CD2 3.94Å; Y174-F192 HydrophobicContact CD2-CD2 3.94Å; Y174-F192 HydrophobicContact CD2-CE1 4.18Å; Y174-F192 HydrophobicContact CD2-CE2 4.39Å; Y174-F192 AromaticContact CD2-CG 3.52Å; Y174-F192 HydrophobicContact CD2-CG 3.52Å; Y174-F192 HydrophobicContact CD2-CZ 4.49Å; Y174-F192 HydrophobicContact CE2-CB 3.8Å; Y174-F192 HydrophobicContact CE2-CD1 4.42Å; Y174-F192 HydrophobicContact CE2-CG 4.11Å; S188-F192 PolarHBondContact O-N 2.94Å; F189-F192 WeakPolarHBondContact O-CB 3.46Å; F189-F192 PolarHBondContact O-N 3.27Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 3.44Å; F192-F194 VanDerWaalsContact C-N 3.31Å; F192-F194 PolarHBondContact O-N 3Å; F192-K195 PolarHBondContact O-N 2.92Å; F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CE1-CG2 4.13Å; F192-V196 HydrophobicContact CZ-CG2 4.19Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; F192-V196 VanDerWaalsContact O-N 3.08Å; F192-F223 HydrophobicContact CD1-CE2 4.14Å; F192-F223 HydrophobicContact CE1-CD2 4.33Å; F192-F223 AromaticContact CE1-CE2 3.91Å; F192-F223 HydrophobicContact CE1-CE2 3.91Å
193	L	97.1	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-43.8	177.1	173.3	61.3	0	0	0	111.7	F189 L190 V196 R197 F223 V226 D227 L230	F189-L193 HydrophobicContact CE1-CD2 4.35Å; F189-L193 PolarHBondContact O-N 3.44Å; L190-L193 HydrophobicContact CD2-CD2 4.38Å; L190-L193 PolarHBondContact O-N 3.46Å; L193-V196 WeakPolarHBondContact O-CB 3.42Å; L193-V196 PolarHBondContact O-N 2.9Å; L193-R197 PolarHBondContact O-N 2.84Å; L193-F223 HydrophobicContact CB-CE2 4.39Å; L193-F223 HydrophobicContact CD1-CD2 4.41Å; L193-F223 HydrophobicContact CD1-CE1 4.32Å; L193-F223 HydrophobicContact CD1-CE2 3.63Å; L193-F223 HydrophobicContact CD1-CZ 3.57Å; L193-V226 HydrophobicContact CD2-CG1 4.12Å; L193-D227 HydrophobicContact CD1-CB 3.85Å; L193-D227 HydrophobicContact CD2-CB 4.4Å; L193-L230 HydrophobicContact CD2-CD1 3.94Å
194	F	94.9	Very high	92.7	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-37.1	178.5	-66.1	-45.4	0	0	0	112.1	L190 N191 F192 V196 R197 E198 L278 I279 I291	L190-F194 HydrophobicContact CB-CD2 4.36Å; L190-F194 HydrophobicContact CB-CE2 4.03Å; L190-F194 HydrophobicContact CD2-CZ 4.47Å; L190-F194 WeakPolarHBondContact O-CD2 3.3Å; L190-F194 VanDerWaalsContact O-CG 3.32Å; L190-F194 WeakPolarHBondContact O-CG 3.39Å; L190-F194 PolarHBondContact O-N 3.36Å; N191-F194 PolarHBondContact O-N 3.31Å; F192-F194 VanDerWaalsContact C-N 3.31Å; F192-F194 PolarHBondContact O-N 3Å; F194-V196 VanDerWaalsContact C-N 3.3Å; F194-V196 PolarHBondContact O-N 2.9Å; F194-R197 WeakPolarHBondContact O-CB 3.21Å; F194-R197 PolarHBondContact O-N 3.24Å; F194-R197 VanDerWaalsContact O-N 3.07Å; F194-E198 WeakPolarHBondContact O-CB 3.46Å; F194-E198 VanDerWaalsContact O-CG 3.31Å; F194-E198 WeakPolarHBondContact O-CG 3.35Å; F194-E198 PolarHBondContact O-N 2.95Å; F194-L278 HydrophobicContact CE2-CD1 3.77Å; F194-L278 HydrophobicContact CZ-CD1 4.36Å; F194-I279 HydrophobicContact CE1-CD1 4.13Å; F194-I279 HydrophobicContact CE1-CG1 4.24Å; F194-I279 HydrophobicContact CZ-CD1 4.43Å; F194-I279 HydrophobicContact CZ-CG1 4.3Å; F194-I291 HydrophobicContact CB-CD1 3.9Å; F194-I291 HydrophobicContact CD2-CD1 3.2Å; F194-I291 HydrophobicContact CD2-CG1 3.93Å; F194-I291 HydrophobicContact CE2-CD1 3.87Å; F194-I291 HydrophobicContact CE2-CG1 4.33Å; F194-I291 HydrophobicContact CG-CD1 3.75Å
195	K	95.7	Very high	93.6	Very high	66 Å²	66	31.2 Å²	31.2	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-37.5	170.8	-70.4	-71	163.5	-148.7	0	113.3	I153 N191 F192 E198 S199	I153-K195 HydrophobicContact CD1-CB 4.48Å; N191-K195 WeakPolarHBondContact O-CG 3.33Å; N191-K195 PolarHBondContact O-N 2.97Å; F192-K195 PolarHBondContact O-N 2.92Å; K195-E198 IonicContact NZ-OE1 2.73Å; K195-E198 PolarHBondContact NZ-OE1 2.84Å; K195-E198 IonicContact NZ-OE2 3.52Å; K195-E198 PolarHBondContact NZ-OE2 3.35Å; K195-S199 PolarHBondContact O-N 2.97Å
196	V	97.8	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-35.8	173.4	-179.3	0	0	0	0	111.5	I106 F172 F192 L193 F194 S199 L202 F223	I106-V196 HydrophobicContact CD1-CG1 4.2Å; I106-V196 HydrophobicContact CG1-CG1 3.99Å; I106-V196 HydrophobicContact CG1-CG2 4.3Å; F172-V196 HydrophobicContact CB-CG2 4.04Å; F172-V196 HydrophobicContact CD1-CG2 3.81Å; F172-V196 HydrophobicContact CD2-CG1 4.35Å; F172-V196 HydrophobicContact CD2-CG2 3.96Å; F172-V196 HydrophobicContact CE1-CG2 4.21Å; F172-V196 HydrophobicContact CE2-CG1 4.3Å; F172-V196 HydrophobicContact CE2-CG2 4.33Å; F172-V196 HydrophobicContact CG-CG2 3.68Å; F172-V196 HydrophobicContact CZ-CG2 4.46Å; F192-V196 HydrophobicContact CD1-CG2 4.46Å; F192-V196 HydrophobicContact CE1-CG2 4.13Å; F192-V196 HydrophobicContact CZ-CG2 4.19Å; F192-V196 WeakPolarHBondContact O-CG2 3.45Å; F192-V196 PolarHBondContact O-N 3.38Å; F192-V196 VanDerWaalsContact O-N 3.08Å; L193-V196 WeakPolarHBondContact O-CB 3.42Å; L193-V196 PolarHBondContact O-N 2.9Å; F194-V196 VanDerWaalsContact C-N 3.3Å; F194-V196 PolarHBondContact O-N 2.9Å; V196-S199 PolarHBondContact O-OG 3.26Å; V196-L202 HydrophobicContact CG1-CD1 3.95Å; V196-L202 HydrophobicContact CG1-CD2 4.18Å; V196-L202 HydrophobicContact CG1-CG 3.93Å; V196-F223 HydrophobicContact CB-CZ 4.39Å; V196-F223 HydrophobicContact CG1-CZ 4.2Å; V196-F223 HydrophobicContact CG2-CZ 4.36Å
197	R	95.8	Very high	94.6	Very high	59 Å²	59	34.6 Å²	34.6	22%	0.223	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-43.6	176	-73.9	177.7	171.3	-162.7	1.6	112.4	L193 F194 S199 G200 L202 D227	L193-R197 PolarHBondContact O-N 2.84Å; F194-R197 WeakPolarHBondContact O-CB 3.21Å; F194-R197 PolarHBondContact O-N 3.24Å; F194-R197 VanDerWaalsContact O-N 3.07Å; R197-S199 PolarHBondContact O-N 3.08Å; R197-G200 PolarHBondContact O-N 3.41Å; R197-L202 HydrophobicContact CG-CD1 3.83Å; R197-D227 IonicContact CZ-OD1 2.78Å; R197-D227 IonicContact NE-OD1 3.43Å; R197-D227 PolarHBondContact NE-OD1 2.74Å; R197-D227 PolarHBondContact NH2-O 3.34Å; R197-D227 IonicContact NH2-OD1 2.71Å; R197-D227 PolarHBondContact NH2-OD1 2.83Å
198	E	94.5	Very high	95	Very high	83 Å²	83	34.2 Å²	34.2	39%	0.388	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-28.2	179.6	-76.6	170	-147.3	0	0	112.6	F194 K195 G200 N288	F194-E198 WeakPolarHBondContact O-CB 3.46Å; F194-E198 VanDerWaalsContact O-CG 3.31Å; F194-E198 WeakPolarHBondContact O-CG 3.35Å; F194-E198 PolarHBondContact O-N 2.95Å; K195-E198 IonicContact NZ-OE1 2.73Å; K195-E198 PolarHBondContact NZ-OE1 2.84Å; K195-E198 IonicContact NZ-OE2 3.52Å; K195-E198 PolarHBondContact NZ-OE2 3.35Å; E198-G200 PolarHBondContact O-N 3.44Å; E198-N288 PolarHBondContact OE1-OD1 3.48Å
199	S	95.8	Very high	95.4	Very high	31 Å²	31	33.8 Å²	33.8	22%	0.217	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.9	177.3	74.5	0	0	0	0	114.4	F172 K195 V196 R197 S201	F172-S199 WeakPolarHBondContact CZ-OG 3.37Å; K195-S199 PolarHBondContact O-N 2.97Å; V196-S199 PolarHBondContact O-OG 3.26Å; R197-S199 PolarHBondContact O-N 3.08Å; S199-S201 PolarHBondContact O-N 2.92Å; S199-S201 VanDerWaalsContact O-N 3.11Å; S199-S201 WeakPolarHBondContact OG-CB 3.4Å; S199-S201 PolarHBondContact OG-N 3.5Å; S199-S201 PolarHBondContact OG-OG 2.88Å
200	G	95.7	Very high	95.6	Very high	23 Å²	23	33.8 Å²	33.8	24%	0.237	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-1.7	-174.7	0	0	0	0	0	114.2	R197 E198 L202 G203	R197-G200 PolarHBondContact O-N 3.41Å; E198-G200 PolarHBondContact O-N 3.44Å; G200-L202 PolarHBondContact O-N 3.3Å; G200-G203 PolarHBondContact O-N 2.72Å
201	S	96.4	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.6	-169.4	-56.5	0	0	0	0	114.9	Y170 S199 S209	Y170-S201 WeakPolarHBondContact CD2-OG 3.43Å; S199-S201 PolarHBondContact O-N 2.92Å; S199-S201 VanDerWaalsContact O-N 3.11Å; S199-S201 WeakPolarHBondContact OG-CB 3.4Å; S199-S201 PolarHBondContact OG-N 3.5Å; S199-S201 PolarHBondContact OG-OG 2.88Å; S201-S209 PolarHBondContact O-OG 2.9Å
202	L	96.1	Very high	96.1	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.079	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.9	173.3	-61.1	179.1	0	0	0	112.9	R77 Y79 V196 R197 G200	R77-L202 WeakPolarHBondContact CD-O 3.19Å; R77-L202 PolarHBondContact NH1-O 2.9Å; Y79-L202 HydrophobicContact CE1-CD2 4.35Å; V196-L202 HydrophobicContact CG1-CD1 3.95Å; V196-L202 HydrophobicContact CG1-CD2 4.18Å; V196-L202 HydrophobicContact CG1-CG 3.93Å; R197-L202 HydrophobicContact CG-CD1 3.83Å; G200-L202 PolarHBondContact O-N 3.3Å
203	G	90.7	Very high	96.2	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	18%	0.176	C	C	.	.	S	Bend	trans	-70.7	163.2	-176.8	0	0	0	0	0	114.1	G200 E205	G200-G203 PolarHBondContact O-N 2.72Å; G203-E205 VanDerWaalsContact C-OE2 3.25Å; G203-E205 VanDerWaalsContact CA-OE2 3.32Å; G203-E205 WeakPolarHBondContact CA-OE2 3.45Å; G203-E205 PolarHBondContact O-N 2.94Å
204	P	90.6	Very high	96.2	Very high	114 Å²	114	32.8 Å²	32.8	74%	0.74	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.4	-178	32.4	-37.5	0	0	0	114.1	Y206	P204-Y206 PolarHBondContact O-N 3.29Å
205	E	93.1	Very high	96.4	Very high	116 Å²	116	33.2 Å²	33.2	54%	0.542	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.7	178.5	65.6	-86.6	-165.6	0	0	113.6	G203	G203-E205 VanDerWaalsContact C-OE2 3.25Å; G203-E205 VanDerWaalsContact CA-OE2 3.32Å; G203-E205 WeakPolarHBondContact CA-OE2 3.45Å; G203-E205 PolarHBondContact O-N 2.94Å
206	Y	95.9	Very high	96.5	Very high	106 Å²	106	30.1 Å²	30.1	42%	0.416	17%	0.169	S	C	.	.	S	Bend	trans	-118.4	166.7	177.5	-57.8	-63.5	0	0	0	110.5	K103 P204	K103-Y206 HydrophobicContact CB-CD1 3.97Å; K103-Y206 HydrophobicContact CB-CD2 3.62Å; K103-Y206 HydrophobicContact CB-CE1 4.48Å; K103-Y206 HydrophobicContact CB-CE2 4.18Å; K103-Y206 HydrophobicContact CB-CG 3.51Å; K103-Y206 HydrophobicContact CD-CD1 4.37Å; K103-Y206 HydrophobicContact CD-CE1 4.12Å; K103-Y206 HydrophobicContact CD-CE2 4.36Å; K103-Y206 HydrophobicContact CG-CD1 4.3Å; K103-Y206 HydrophobicContact CG-CD2 3.79Å; K103-Y206 HydrophobicContact CG-CE1 4.32Å; K103-Y206 HydrophobicContact CG-CE2 3.81Å; K103-Y206 HydrophobicContact CG-CG 4.06Å; P204-Y206 PolarHBondContact O-N 3.29Å
207	G	98	Very high	96.6	Very high	15 Å²	15	30.4 Å²	30.4	16%	0.155	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-70.5	169.9	168.3	0	0	0	0	0	112.5	Q100 C101 S209	Q100-G207 VanDerWaalsContact O-CA 3.28Å; Q100-G207 WeakPolarHBondContact O-CA 3.22Å; C101-G207 PolarHBondContact O-N 3.21Å; G207-S209 PolarHBondContact O-N 3.5Å
208	P	98.5	Very high	96.7	Very high	27 Å²	27	27.9 Å²	27.9	18%	0.175	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-55.6	132.2	-173.7	-23.9	33.3	0	0	0	112.1	L69 A78 I80 S102	L69-P208 HydrophobicContact CD1-CB 4.06Å; L69-P208 HydrophobicContact CD1-CG 3.61Å; A78-P208 HydrophobicContact CB-CB 4.1Å; A78-P208 HydrophobicContact CB-CG 3.92Å; I80-P208 HydrophobicContact CD1-CB 4.16Å; I80-P208 HydrophobicContact CG1-CB 4.02Å; S102-P208 WeakPolarHBondContact CB-O 3.4Å; S102-P208 PolarHBondContact OG-O 3.15Å
209	S	98.6	Very high	96.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.2	172.5	-88.5	0	0	0	0	111.2	I80 S201 G207	I80-S209 PolarHBondContact N-O 2.87Å; S201-S209 PolarHBondContact O-OG 2.9Å; G207-S209 PolarHBondContact O-N 3.5Å
210	V	98.9	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.5	179.7	179.6	0	0	0	0	109	I80 T82 F93 M96 V97 A104 V105 I106	I80-V210 HydrophobicContact CB-CG2 4.17Å; I80-V210 HydrophobicContact CD1-CG2 4.42Å; I80-V210 HydrophobicContact CG2-CG1 4.46Å; I80-V210 HydrophobicContact CG2-CG2 4.34Å; I80-V210 CarbonylContact O-C 3.6Å; I80-V210 WeakPolarHBondContact O-CA 3.47Å; T82-V210 HydrophobicContact CG2-CG1 3.64Å; F93-V210 HydrophobicContact CE2-CG1 3.74Å; F93-V210 HydrophobicContact CZ-CG1 3.91Å; M96-V210 HydrophobicContact CE-CG1 3.82Å; M96-V210 HydrophobicContact CE-CG2 3.97Å; V97-V210 HydrophobicContact CG2-CG2 3.99Å; A104-V210 PolarHBondContact O-N 2.96Å; V105-V210 CarbonylContact C-O 3.58Å; V105-V210 WeakPolarHBondContact CA-O 3.41Å; V105-V210 HydrophobicContact CG2-CB 4.39Å; I106-V210 PolarHBondContact N-O 3.36Å
211	V	98.9	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	179.2	-171.7	0	0	0	0	109.1	Y79 I80 L81 T82 I106 L108 F223	Y79-V211 HydrophobicContact CD1-CG2 4.3Å; I80-V211 PolarHBondContact O-N 2.8Å; L81-V211 WeakPolarHBondContact CA-O 3.5Å; L81-V211 HydrophobicContact CD2-CB 3.66Å; L81-V211 HydrophobicContact CD2-CG1 4.33Å; L81-V211 HydrophobicContact CD2-CG2 4.2Å; T82-V211 PolarHBondContact N-O 3.49Å; T82-V211 VanDerWaalsContact N-O 3.16Å; I106-V211 HydrophobicContact CB-CB 4.42Å; I106-V211 HydrophobicContact CB-CG1 4.19Å; I106-V211 HydrophobicContact CB-CG2 4.17Å; I106-V211 HydrophobicContact CD1-CG2 3.99Å; I106-V211 HydrophobicContact CG2-CG1 4.21Å; I106-V211 WeakPolarHBondContact O-CA 3.31Å; L108-V211 HydrophobicContact CD1-CG1 3.93Å; V211-F223 HydrophobicContact CG1-CB 4.46Å; V211-F223 HydrophobicContact CG1-CD1 3.99Å; V211-F223 HydrophobicContact CG1-CG 4.38Å; V211-F223 HydrophobicContact CG2-CD1 4.11Å; V211-F223 HydrophobicContact CG2-CE1 4.18Å
212	H	98.9	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.7	178.5	85.3	88.4	0	0	0	112.9	T82 I106 M107 L108 Y122 S220	T82-H212 HydrophobicContact CG2-CB 3.73Å; T82-H212 WeakPolarHBondContact O-CB 3.48Å; I106-H212 PolarHBondContact O-N 2.87Å; M107-H212 WeakPolarHBondContact CB-NE2 3.42Å; M107-H212 VanDerWaalsContact CG-CE1 3.45Å; M107-H212 WeakPolarHBondContact CG-CE1 3.46Å; M107-H212 WeakPolarHBondContact CG-NE2 3.34Å; L108-H212 PolarHBondContact N-O 3.4Å; Y122-H212 AromaticContact CE1-CE1 3.77Å; Y122-H212 AromaticContact CE1-NE2 3.46Å; Y122-H212 WeakPolarHBondContact CE1-NE2 3.41Å; Y122-H212 AromaticContact CZ-NE2 3.45Å; Y122-H212 PolarHBondContact OH-NE2 3.07Å; H212-S220 WeakPolarHBondContact CA-OG 3.36Å
213	C	97.9	Very high	97.4	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.027	12%	0.12	C	C	.	.	S	Bend	trans	-132.4	-133.5	163.3	54.9	0	0	0	0	106.5	G84 L108 N109 G216 R219 S220	G84-C213 WeakPolarHBondContact CA-O 3.4Å; G84-C213 PolarHBondContact N-O 2.84Å; L108-C213 HydrophobicContact CB-CB 4.24Å; N109-C213 HydrophobicContact CB-CB 4.33Å; N109-C213 WeakPolarHBondContact OD1-CA 3.41Å; N109-C213 PolarHBondContact OD1-O 3.22Å; N109-C213 VanDerWaalsContact OD1-O 3.07Å; C213-G216 PolarHBondContact SG-N 3.31Å; C213-R219 HydrophobicContact CB-CB 4Å; C213-S220 PolarHBondContact N-OG 3.09Å; C213-S220 PolarHBondContact SG-OG 3.01Å
214	S	98.3	Very high	97.7	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	11%	0.112	C	C	.	.	S	Bend	trans	-79.2	-55.5	170.3	-165.8	0	0	0	0	112.4	Y44 G84 K118	Y44-S214 PolarHBondContact OH-OG 2.99Å; G84-S214 PolarHBondContact N-O 3.39Å; K118-S214 WeakPolarHBondContact O-CB 3.44Å; K118-S214 PolarHBondContact O-OG 3.25Å
215	A	98.4	Very high	98.1	Very high	18 Å²	18	14.7 Å²	14.7	15%	0.149	8%	0.077	C	C	.	.	S	Bend	trans	-93.9	-16.1	-179.9	0	0	0	0	0	113.6	Y44 V47 I217 R255	Y44-A215 HydrophobicContact CD2-CB 3.66Å; Y44-A215 HydrophobicContact CE2-CB 3.71Å; V47-A215 HydrophobicContact CG1-CB 4.45Å; V47-A215 HydrophobicContact CG2-CB 4.26Å; A215-I217 HydrophobicContact CB-CD1 4.37Å; A215-I217 HydrophobicContact CB-CG1 3.96Å; A215-R255 PolarHBondContact O-NH2 3.39Å
216	G	98.4	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	75.1	27.2	-178	0	0	0	0	0	114.7	T82 C213 R255	T82-G216 WeakPolarHBondContact O-CA 3.49Å; C213-G216 PolarHBondContact SG-N 3.31Å; G216-R255 WeakPolarHBondContact O-CD 3.47Å; G216-R255 PolarHBondContact O-NE 3.19Å
217	I	98.6	Very high	98.5	Very high	6 Å²	6	4.1 Å²	4.1	3%	0.031	3%	0.031	C	C	.	.	S	Bend	trans	-133	-45.6	-176.2	61.2	176.8	0	0	0	113.9	V47 A215 G221 R255 M256 L258 I259 Q260	V47-I217 HydrophobicContact CG1-CD1 4.01Å; V47-I217 HydrophobicContact CG1-CG2 3.86Å; V47-I217 HydrophobicContact CG2-CD1 3.71Å; A215-I217 HydrophobicContact CB-CD1 4.37Å; A215-I217 HydrophobicContact CB-CG1 3.96Å; I217-G221 WeakPolarHBondContact O-CA 3.46Å; I217-G221 PolarHBondContact O-N 3.21Å; I217-R255 HydrophobicContact CG2-CG 4.13Å; I217-M256 VanDerWaalsContact CG2-O 3.25Å; I217-M256 WeakPolarHBondContact CG2-O 3.5Å; I217-L258 HydrophobicContact CB-CD2 4.23Å; I217-L258 HydrophobicContact CG2-CD2 4.27Å; I217-L258 VanDerWaalsContact O-CA 3.3Å; I217-L258 WeakPolarHBondContact O-CA 3.37Å; I217-I259 PolarHBondContact O-N 3.42Å; I217-Q260 VanDerWaalsContact CD1-CD 3.49Å; I217-Q260 HydrophobicContact CD1-CG 4.04Å; I217-Q260 HydrophobicContact CG1-CG 3.87Å
218	G	97.9	Very high	98.5	Very high	7 Å²	7	3.4 Å²	3.4	7%	0.072	2%	0.024	C	C	.	.	H	α-helix	trans	-70.1	-82.4	-178.9	0	0	0	0	0	112.5	S220 G221 T222	G218-S220 VanDerWaalsContact C-N 3.3Å; G218-S220 PolarHBondContact O-N 2.93Å; G218-G221 PolarHBondContact O-N 2.93Å; G218-G221 VanDerWaalsContact O-N 3.1Å; G218-T222 PolarHBondContact O-N 2.94Å; G218-T222 PolarHBondContact O-OG1 3.45Å
219	R	98.3	Very high	98.4	Very high	4 Å²	4	2.1 Å²	2.1	2%	0.015	2%	0.016	C	C	.	.	H	α-helix	trans	-58.8	-40.4	179.9	-61	178.3	-94.5	-172.1	-15.1	112.5	L108 N109 E113 W177 D179 C213 T222 F223	L108-R219 HydrophobicContact CB-CB 3.98Å; L108-R219 HydrophobicContact CD1-CB 4.12Å; L108-R219 WeakPolarHBondContact CD1-O 3.33Å; L108-R219 VanDerWaalsContact O-CD 3.23Å; L108-R219 WeakPolarHBondContact O-CD 3.49Å; L108-R219 PolarHBondContact O-NE 2.97Å; L108-R219 PolarHBondContact O-NH1 3.43Å; N109-R219 VanDerWaalsContact CA-NH1 3.25Å; N109-R219 VanDerWaalsContact CB-NH1 3.26Å; E113-R219 IonicContact OE1-CZ 2.72Å; E113-R219 IonicContact OE1-NH1 3.7Å; E113-R219 PolarHBondContact OE1-NH1 3.46Å; E113-R219 IonicContact OE1-NH2 2.68Å; E113-R219 PolarHBondContact OE1-NH2 3.23Å; E113-R219 IonicContact OE2-CZ 3.34Å; E113-R219 IonicContact OE2-NH1 2.7Å; E113-R219 IonicContact OE2-NH2 2.7Å; E113-R219 PolarHBondContact OE2-NH2 2.85Å; W177-R219 HydrophobicContact CD2-CB 4.26Å; W177-R219 HydrophobicContact CD2-CG 3.91Å; W177-R219 HydrophobicContact CE3-CB 4.43Å; W177-R219 HydrophobicContact CG-CG 4.18Å; W177-R219 HydrophobicContact CH2-CB 4.25Å; W177-R219 HydrophobicContact CZ2-CB 4.07Å; W177-R219 HydrophobicContact CZ2-CG 3.96Å; W177-R219 HydrophobicContact CZ3-CB 4.41Å; W177-R219 PolarHBondContact O-NH1 3.21Å; D179-R219 IonicContact OD1-CZ 2.78Å; D179-R219 IonicContact OD1-NH2 3.14Å; D179-R219 PolarHBondContact OD1-NH2 2.99Å; C213-R219 HydrophobicContact CB-CB 4Å; R219-T222 WeakPolarHBondContact O-CB 3.4Å; R219-T222 PolarHBondContact O-N 2.69Å; R219-F223 PolarHBondContact O-N 3.46Å
220	S	98.7	Very high	98.3	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-63.2	-40.2	175.9	-52	0	0	0	0	112.3	H212 C213 G218 F223 A224	H212-S220 WeakPolarHBondContact CA-OG 3.36Å; C213-S220 PolarHBondContact N-OG 3.09Å; C213-S220 PolarHBondContact SG-OG 3.01Å; G218-S220 VanDerWaalsContact C-N 3.3Å; G218-S220 PolarHBondContact O-N 2.93Å; S220-F223 PolarHBondContact O-N 3.26Å; S220-A224 WeakPolarHBondContact O-CB 3.36Å; S220-A224 PolarHBondContact O-N 3.45Å
221	G	98.6	Very high	98.1	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-65.5	-43.5	174.3	0	0	0	0	0	112	I217 G218 F223 A224 L225	I217-G221 WeakPolarHBondContact O-CA 3.46Å; I217-G221 PolarHBondContact O-N 3.21Å; G218-G221 PolarHBondContact O-N 2.93Å; G218-G221 VanDerWaalsContact O-N 3.1Å; G221-F223 PolarHBondContact O-N 2.92Å; G221-A224 PolarHBondContact O-N 2.8Å; G221-L225 WeakPolarHBondContact O-CB 3.3Å; G221-L225 PolarHBondContact O-N 2.86Å
222	T	98.7	Very high	97.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-56.9	-48.8	173.5	-61	0	0	0	0	111.4	W177 G218 R219 V226 F267 S268	W177-T222 HydrophobicContact CH2-CG2 3.62Å; W177-T222 HydrophobicContact CZ2-CG2 3.91Å; G218-T222 PolarHBondContact O-N 2.94Å; G218-T222 PolarHBondContact O-OG1 3.45Å; R219-T222 WeakPolarHBondContact O-CB 3.4Å; R219-T222 PolarHBondContact O-N 2.69Å; T222-V226 HydrophobicContact CG2-CG2 4.48Å; T222-V226 VanDerWaalsContact O-CG2 3.25Å; T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.06Å; T222-F267 HydrophobicContact CG2-CD1 3.89Å; T222-F267 HydrophobicContact CG2-CE1 4.3Å; T222-S268 WeakPolarHBondContact CG2-OG 3.21Å
223	F	98.8	Very high	97.6	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-58.6	-53.4	179.4	179.2	-87.1	0	0	0	112.1	I106 L108 F189 F192 L193 V196 V211 R219 S220 G221 L225 V226 D227	I106-F223 HydrophobicContact CG1-CZ 4.38Å; I106-F223 HydrophobicContact CG2-CD2 4.34Å; I106-F223 HydrophobicContact CG2-CE1 4.38Å; I106-F223 HydrophobicContact CG2-CE2 4.07Å; I106-F223 HydrophobicContact CG2-CZ 4.1Å; L108-F223 HydrophobicContact CD1-CB 3.69Å; L108-F223 HydrophobicContact CD1-CG 4.29Å; L108-F223 HydrophobicContact CD2-CD2 4.44Å; F189-F223 HydrophobicContact CE2-CB 4.37Å; F189-F223 AromaticContact CE2-CD2 3.99Å; F189-F223 HydrophobicContact CE2-CD2 3.99Å; F189-F223 HydrophobicContact CZ-CD2 4.17Å; F192-F223 HydrophobicContact CD1-CE2 4.14Å; F192-F223 HydrophobicContact CE1-CD2 4.33Å; F192-F223 AromaticContact CE1-CE2 3.91Å; F192-F223 HydrophobicContact CE1-CE2 3.91Å; L193-F223 HydrophobicContact CB-CE2 4.39Å; L193-F223 HydrophobicContact CD1-CD2 4.41Å; L193-F223 HydrophobicContact CD1-CE1 4.32Å; L193-F223 HydrophobicContact CD1-CE2 3.63Å; L193-F223 HydrophobicContact CD1-CZ 3.57Å; V196-F223 HydrophobicContact CB-CZ 4.39Å; V196-F223 HydrophobicContact CG1-CZ 4.2Å; V196-F223 HydrophobicContact CG2-CZ 4.36Å; V211-F223 HydrophobicContact CG1-CB 4.46Å; V211-F223 HydrophobicContact CG1-CD1 3.99Å; V211-F223 HydrophobicContact CG1-CG 4.38Å; V211-F223 HydrophobicContact CG2-CD1 4.11Å; V211-F223 HydrophobicContact CG2-CE1 4.18Å; R219-F223 PolarHBondContact O-N 3.46Å; S220-F223 PolarHBondContact O-N 3.26Å; G221-F223 PolarHBondContact O-N 2.92Å; F223-L225 PolarHBondContact O-N 3.11Å; F223-V226 PolarHBondContact O-N 3.36Å; F223-D227 WeakPolarHBondContact O-CB 3.4Å; F223-D227 PolarHBondContact O-N 2.97Å
224	A	98.7	Very high	97.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-67.2	-36.7	-176.2	0	0	0	0	0	112.4	Y79 L81 S220 G221 T228 M251	Y79-A224 HydrophobicContact CD1-CB 4.43Å; Y79-A224 HydrophobicContact CD2-CB 3.94Å; Y79-A224 HydrophobicContact CE1-CB 4.41Å; Y79-A224 HydrophobicContact CE2-CB 3.92Å; Y79-A224 HydrophobicContact CG-CB 4.17Å; Y79-A224 PolarHBondContact OH-O 3.31Å; L81-A224 HydrophobicContact CD2-CB 4.35Å; S220-A224 WeakPolarHBondContact O-CB 3.36Å; S220-A224 PolarHBondContact O-N 3.45Å; G221-A224 PolarHBondContact O-N 2.8Å; A224-T228 VanDerWaalsContact O-CB 3.23Å; A224-T228 WeakPolarHBondContact O-CB 3.5Å; A224-T228 PolarHBondContact O-N 3.2Å; A224-T228 PolarHBondContact O-OG1 3.2Å; A224-M251 HydrophobicContact CB-CE 3.46Å; A224-M251 VanDerWaalsContact CB-CE 3.46Å
225	L	98.8	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.5	-49.4	176.3	178.6	64.6	0	0	0	111.3	G221 F223 D227 T228 C229 I244 V247 L248 M251 I259	G221-L225 WeakPolarHBondContact O-CB 3.3Å; G221-L225 PolarHBondContact O-N 2.86Å; F223-L225 PolarHBondContact O-N 3.11Å; L225-D227 PolarHBondContact O-N 3.39Å; L225-T228 PolarHBondContact O-N 3.05Å; L225-C229 WeakPolarHBondContact O-CB 3.37Å; L225-C229 PolarHBondContact O-N 3.35Å; L225-C229 PolarHBondContact O-SG 2.98Å; L225-I244 HydrophobicContact CD1-CG2 4.34Å; L225-I244 HydrophobicContact CD2-CG2 3.89Å; L225-I244 HydrophobicContact CG-CG2 4.36Å; L225-V247 HydrophobicContact CD1-CB 4.06Å; L225-V247 HydrophobicContact CD1-CG1 3.64Å; L225-L248 HydrophobicContact CD1-CB 4.07Å; L225-L248 HydrophobicContact CD2-CB 4.14Å; L225-L248 HydrophobicContact CD2-CD1 4.31Å; L225-L248 HydrophobicContact CD2-CD2 4.39Å; L225-M251 HydrophobicContact CB-SD 4.28Å; L225-M251 HydrophobicContact CD1-SD 4.04Å; L225-I259 HydrophobicContact CB-CD1 4.46Å; L225-I259 HydrophobicContact CD2-CD1 3.38Å
226	V	98.4	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-47	-179.3	176.7	0	0	0	0	110.2	F189 L190 L193 T222 F223 T228 C229 L230 I272	F189-V226 HydrophobicContact CE1-CB 3.93Å; F189-V226 HydrophobicContact CE1-CG1 3.74Å; F189-V226 HydrophobicContact CE1-CG2 4.08Å; F189-V226 HydrophobicContact CZ-CB 4.13Å; F189-V226 HydrophobicContact CZ-CG1 4.41Å; F189-V226 HydrophobicContact CZ-CG2 4.3Å; L190-V226 HydrophobicContact CD2-CG1 4.41Å; L193-V226 HydrophobicContact CD2-CG1 4.12Å; T222-V226 HydrophobicContact CG2-CG2 4.48Å; T222-V226 VanDerWaalsContact O-CG2 3.25Å; T222-V226 WeakPolarHBondContact O-CG2 3.45Å; T222-V226 PolarHBondContact O-N 3.06Å; F223-V226 PolarHBondContact O-N 3.36Å; V226-T228 PolarHBondContact O-N 3.06Å; V226-C229 PolarHBondContact O-N 3.2Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CB 3.33Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.02Å; V226-I272 HydrophobicContact CB-CG1 4.17Å; V226-I272 HydrophobicContact CG1-CG1 3.96Å; V226-I272 HydrophobicContact CG2-CD1 4.4Å; V226-I272 HydrophobicContact CG2-CG1 4.06Å
227	D	98.3	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-50.3	176.7	-177.9	56.5	0	0	0	111.7	R77 Y79 L193 R197 F223 L225 C229 L230 V231	R77-D227 IonicContact NE-OD2 3.49Å; Y79-D227 WeakPolarHBondContact CE1-OD2 3.23Å; Y79-D227 WeakPolarHBondContact OH-CB 3.47Å; Y79-D227 PolarHBondContact OH-OD2 2.94Å; L193-D227 HydrophobicContact CD1-CB 3.85Å; L193-D227 HydrophobicContact CD2-CB 4.4Å; R197-D227 IonicContact CZ-OD1 2.78Å; R197-D227 IonicContact NE-OD1 3.43Å; R197-D227 PolarHBondContact NE-OD1 2.74Å; R197-D227 PolarHBondContact NH2-O 3.34Å; R197-D227 IonicContact NH2-OD1 2.71Å; R197-D227 PolarHBondContact NH2-OD1 2.83Å; F223-D227 WeakPolarHBondContact O-CB 3.4Å; F223-D227 PolarHBondContact O-N 2.97Å; L225-D227 PolarHBondContact O-N 3.39Å; D227-C229 PolarHBondContact O-N 3.2Å; D227-L230 PolarHBondContact O-N 3.01Å; D227-V231 WeakPolarHBondContact O-CG2 3.44Å; D227-V231 PolarHBondContact O-N 3.32Å
228	T	97.9	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.7	-51.5	-179.8	-65.3	0	0	0	0	111.8	V72 A75 Y79 A224 L225 V226 L230 V231 L232 V247	V72-T228 HydrophobicContact CB-CG2 4.02Å; V72-T228 HydrophobicContact CG1-CG2 3.66Å; V72-T228 HydrophobicContact CG2-CG2 3.94Å; A75-T228 HydrophobicContact CB-CG2 4.09Å; Y79-T228 WeakPolarHBondContact CE2-OG1 3.25Å; Y79-T228 PolarHBondContact OH-N 3.31Å; Y79-T228 PolarHBondContact OH-OG1 3.37Å; A224-T228 VanDerWaalsContact O-CB 3.23Å; A224-T228 WeakPolarHBondContact O-CB 3.5Å; A224-T228 PolarHBondContact O-N 3.2Å; A224-T228 PolarHBondContact O-OG1 3.2Å; L225-T228 PolarHBondContact O-N 3.05Å; V226-T228 PolarHBondContact O-N 3.06Å; T228-L230 VanDerWaalsContact C-N 3.32Å; T228-L230 PolarHBondContact O-N 3.45Å; T228-V231 PolarHBondContact O-N 2.99Å; T228-V231 VanDerWaalsContact O-N 3.15Å; T228-L232 HydrophobicContact CG2-CD1 4.06Å; T228-L232 HydrophobicContact CG2-CG 4.47Å; T228-L232 WeakPolarHBondContact O-CG 3.48Å; T228-L232 PolarHBondContact O-N 2.73Å; T228-V247 HydrophobicContact CG2-CG1 3.68Å
229	C	97.5	Very high	93.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-41.6	-179	-72	0	0	0	0	111.7	L225 V226 D227 V231 L232 M233 V242 I272	L225-C229 WeakPolarHBondContact O-CB 3.37Å; L225-C229 PolarHBondContact O-N 3.35Å; L225-C229 PolarHBondContact O-SG 2.98Å; V226-C229 PolarHBondContact O-N 3.2Å; D227-C229 PolarHBondContact O-N 3.2Å; C229-V231 VanDerWaalsContact C-N 3.33Å; C229-V231 PolarHBondContact O-N 3.1Å; C229-L232 PolarHBondContact O-N 3.07Å; C229-M233 VanDerWaalsContact O-CG 3.3Å; C229-M233 WeakPolarHBondContact O-CG 3.43Å; C229-M233 PolarHBondContact O-N 2.77Å; C229-V242 HydrophobicContact CB-CG1 4.12Å; C229-I272 HydrophobicContact CB-CD1 3.67Å; C229-I272 HydrophobicContact CB-CG1 3.92Å; C229-I272 HydrophobicContact CB-CG2 4.03Å
230	L	95.9	Very high	91.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-36.4	176.6	-70.1	178.5	0	0	0	112.3	L190 L193 V226 D227 T228 D234 I272 G275 A276 I279	L190-L230 HydrophobicContact CD2-CD1 4.04Å; L193-L230 HydrophobicContact CD2-CD1 3.94Å; V226-L230 HydrophobicContact CG1-CD1 3.83Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CB 3.33Å; V226-L230 VanDerWaalsContact O-CG 3.24Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.02Å; D227-L230 PolarHBondContact O-N 3.01Å; T228-L230 VanDerWaalsContact C-N 3.32Å; T228-L230 PolarHBondContact O-N 3.45Å; L230-D234 WeakPolarHBondContact O-CB 3.49Å; L230-D234 PolarHBondContact O-N 2.82Å; L230-I272 HydrophobicContact CD2-CG2 4.49Å; L230-I272 WeakPolarHBondContact CD2-O 3.46Å; L230-G275 VanDerWaalsContact CD2-C 3.44Å; L230-A276 HydrophobicContact CD2-CB 4.32Å; L230-A276 VanDerWaalsContact CD2-N 3.34Å; L230-I279 HydrophobicContact CB-CD1 3.83Å; L230-I279 HydrophobicContact CD1-CD1 4.26Å; L230-I279 HydrophobicContact CD2-CD1 4.12Å; L230-I279 HydrophobicContact CG-CD1 4.29Å
231	V	94.5	Very high	90.8	Very high	8 Å²	8	32 Å²	32	5%	0.048	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-44.1	174.1	172.4	0	0	0	0	111.3	A75 D227 T228 C229 M233 D234 R235	A75-V231 HydrophobicContact CB-CB 4.42Å; A75-V231 HydrophobicContact CB-CG1 4.01Å; A75-V231 WeakPolarHBondContact O-CG1 3.47Å; D227-V231 WeakPolarHBondContact O-CG2 3.44Å; D227-V231 PolarHBondContact O-N 3.32Å; T228-V231 PolarHBondContact O-N 2.99Å; T228-V231 VanDerWaalsContact O-N 3.15Å; C229-V231 VanDerWaalsContact C-N 3.33Å; C229-V231 PolarHBondContact O-N 3.1Å; V231-M233 VanDerWaalsContact C-N 3.33Å; V231-M233 PolarHBondContact O-N 2.86Å; V231-D234 PolarHBondContact O-N 2.96Å; V231-R235 VanDerWaalsContact O-CG 3.31Å; V231-R235 WeakPolarHBondContact O-CG 3.33Å; V231-R235 PolarHBondContact O-N 2.78Å; V231-R235 VanDerWaalsContact O-N 3.07Å
232	L	94.2	Very high	90.5	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-42.8	178	-69	172	0	0	0	111.4	E74 A75 T228 C229 R235 S236 V242 V247	E74-L232 HydrophobicContact CB-CD2 3.91Å; E74-L232 HydrophobicContact CG-CD2 3.64Å; A75-L232 HydrophobicContact CB-CD2 3.83Å; A75-L232 HydrophobicContact CB-CG 4.06Å; T228-L232 HydrophobicContact CG2-CD1 4.06Å; T228-L232 HydrophobicContact CG2-CG 4.47Å; T228-L232 WeakPolarHBondContact O-CG 3.48Å; T228-L232 PolarHBondContact O-N 2.73Å; C229-L232 PolarHBondContact O-N 3.07Å; L232-R235 PolarHBondContact O-N 3.35Å; L232-S236 WeakPolarHBondContact O-CB 3.32Å; L232-S236 PolarHBondContact O-N 3.35Å; L232-S236 PolarHBondContact O-OG 2.94Å; L232-V242 HydrophobicContact CB-CG1 4.47Å; L232-V242 HydrophobicContact CB-CG2 3.69Å; L232-V242 HydrophobicContact CD1-CG1 4.26Å; L232-V247 HydrophobicContact CD1-CG2 3.8Å
233	M	93.1	Very high	90.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-40	177.1	-69.3	179.4	-173.5	0	0	113.6	M1 C229 V231 R235 S236 R237 S238 V242 I272 A276	M1-M233 HydrophobicContact CE-CE 3.07Å; M1-M233 HydrophobicContact SD-CE 3.63Å; C229-M233 VanDerWaalsContact O-CG 3.3Å; C229-M233 WeakPolarHBondContact O-CG 3.43Å; C229-M233 PolarHBondContact O-N 2.77Å; V231-M233 VanDerWaalsContact C-N 3.33Å; V231-M233 PolarHBondContact O-N 2.86Å; M233-R235 VanDerWaalsContact C-N 3.31Å; M233-S236 PolarHBondContact O-OG 2.79Å; M233-R237 WeakPolarHBondContact O-CA 3.35Å; M233-R237 PolarHBondContact O-N 2.91Å; M233-S238 PolarHBondContact O-N 2.98Å; M233-V242 HydrophobicContact CE-CB 3.86Å; M233-V242 HydrophobicContact CE-CG1 4.34Å; M233-V242 HydrophobicContact CE-CG2 4.29Å; M233-V242 HydrophobicContact CG-CB 4.14Å; M233-V242 HydrophobicContact CG-CG2 3.54Å; M233-I272 HydrophobicContact CE-CG2 3.41Å; M233-I272 VanDerWaalsContact CE-CG2 3.41Å; M233-I272 HydrophobicContact SD-CG2 4.09Å; M233-A276 HydrophobicContact SD-CB 3.59Å; M233-A276 VanDerWaalsContact SD-CB 3.59Å
234	D	89.9	Confident	90.2	Very high	55 Å²	55	36.8 Å²	36.8	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-41.5	177.1	-172.6	40.8	0	0	0	111	L230 V231 R237 I279	L230-D234 WeakPolarHBondContact O-CB 3.49Å; L230-D234 PolarHBondContact O-N 2.82Å; V231-D234 PolarHBondContact O-N 2.96Å; D234-R237 WeakPolarHBondContact O-CD 3.21Å; D234-R237 PolarHBondContact O-N 2.85Å; D234-R237 PolarHBondContact O-NE 2.88Å; D234-R237 IonicContact OD1-CZ 2.78Å; D234-R237 IonicContact OD1-NH1 3.78Å; D234-R237 PolarHBondContact OD1-NH1 2.89Å; D234-R237 IonicContact OD1-NH2 2.69Å; D234-I279 HydrophobicContact CB-CG2 3.78Å; D234-I279 WeakPolarHBondContact OD1-CG2 3.48Å
235	R	87	Confident	90.1	Very high	111 Å²	111	39 Å²	39	42%	0.419	21%	0.212	S	C	.	.	H	α-helix	trans	-66.4	-47	177.8	-73.3	173.8	175.8	-133.2	-19.3	112.7	E74 A75 E76 V231 L232 M233 R237	E74-R235 PolarHBondContact O-NH1 2.92Å; A75-R235 VanDerWaalsContact O-CZ 3.27Å; A75-R235 PolarHBondContact O-NH2 3.14Å; E76-R235 VanDerWaalsContact CD-NH1 3.27Å; E76-R235 VanDerWaalsContact CG-NH1 3.28Å; E76-R235 IonicContact OE1-NH1 3.82Å; E76-R235 IonicContact OE2-CZ 3.6Å; E76-R235 IonicContact OE2-NH1 2.74Å; E76-R235 PolarHBondContact OE2-NH1 3.08Å; E76-R235 IonicContact OE2-NH2 2.92Å; E76-R235 PolarHBondContact OE2-NH2 2.85Å; V231-R235 VanDerWaalsContact O-CG 3.31Å; V231-R235 WeakPolarHBondContact O-CG 3.33Å; V231-R235 PolarHBondContact O-N 2.78Å; V231-R235 VanDerWaalsContact O-N 3.07Å; L232-R235 PolarHBondContact O-N 3.35Å; M233-R235 VanDerWaalsContact C-N 3.31Å; R235-R237 PolarHBondContact O-N 3.28Å
236	S	85.7	Confident	90	Very high	55 Å²	55	44 Å²	44	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-76.5	-10.7	179.9	69.8	0	0	0	0	113.1	L232 M233 S238 S241	L232-S236 WeakPolarHBondContact O-CB 3.32Å; L232-S236 PolarHBondContact O-N 3.35Å; L232-S236 PolarHBondContact O-OG 2.94Å; M233-S236 PolarHBondContact O-OG 2.79Å; S236-S238 PolarHBondContact O-N 2.84Å; S236-S238 VanDerWaalsContact O-N 3.15Å; S236-S238 PolarHBondContact OG-N 2.83Å; S236-S238 PolarHBondContact OG-O 3.42Å; S236-S238 VanDerWaalsContact OG-O 3.11Å; S236-S241 WeakPolarHBondContact CB-OG 3.23Å; S236-S241 PolarHBondContact OG-OG 2.78Å
237	R	82.4	Confident	90	Very high	168 Å²	168	44.6 Å²	44.6	63%	0.634	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	30.7	-170.5	-63.1	-67.7	-179.3	-158.2	-13.5	112.5	M233 D234 R235	M233-R237 WeakPolarHBondContact O-CA 3.35Å; M233-R237 PolarHBondContact O-N 2.91Å; D234-R237 WeakPolarHBondContact O-CD 3.21Å; D234-R237 PolarHBondContact O-N 2.85Å; D234-R237 PolarHBondContact O-NE 2.88Å; D234-R237 IonicContact OD1-CZ 2.78Å; D234-R237 IonicContact OD1-NH1 3.78Å; D234-R237 PolarHBondContact OD1-NH1 2.89Å; D234-R237 IonicContact OD1-NH2 2.69Å; R235-R237 PolarHBondContact O-N 3.28Å
238	S	77.3	Confident	90	Very high	38 Å²	38	44.7 Å²	44.7	27%	0.266	24%	0.238	S	C	.	.			trans	-150.9	118.4	-175.7	178.9	0	0	0	0	112.6	M233 S236 S240 S241	M233-S238 PolarHBondContact O-N 2.98Å; S236-S238 PolarHBondContact O-N 2.84Å; S236-S238 VanDerWaalsContact O-N 3.15Å; S236-S238 PolarHBondContact OG-N 2.83Å; S236-S238 PolarHBondContact OG-O 3.42Å; S236-S238 VanDerWaalsContact OG-O 3.11Å; S238-S240 VanDerWaalsContact C-N 3.29Å; S238-S240 PolarHBondContact O-N 3.4Å; S238-S240 PolarHBondContact OG-N 3.15Å; S238-S240 PolarHBondContact OG-OG 2.92Å; S238-S241 PolarHBondContact O-N 2.84Å; S238-S241 PolarHBondContact O-OG 2.7Å
239	S	71.9	Confident	90	Very high	54 Å²	54	46.3 Å²	46.3	38%	0.378	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-69.3	-23	175.4	58	0	0	0	0	113.8	S241	S239-S241 VanDerWaalsContact C-N 3.28Å; S239-S241 PolarHBondContact O-N 3.37Å
240	S	72.7	Confident	90	Very high	103 Å²	103	49 Å²	49	72%	0.72	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-80	-8.1	-178.6	61	0	0	0	0	113.9	S238	S238-S240 VanDerWaalsContact C-N 3.29Å; S238-S240 PolarHBondContact O-N 3.4Å; S238-S240 PolarHBondContact OG-N 3.15Å; S238-S240 PolarHBondContact OG-OG 2.92Å
241	S	77.6	Confident	90.1	Very high	67 Å²	67	49 Å²	49	47%	0.469	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-87.9	-13.1	-174	64.4	0	0	0	0	115	S236 S238 S239	S236-S241 WeakPolarHBondContact CB-OG 3.23Å; S236-S241 PolarHBondContact OG-OG 2.78Å; S238-S241 PolarHBondContact O-N 2.84Å; S238-S241 PolarHBondContact O-OG 2.7Å; S239-S241 VanDerWaalsContact C-N 3.28Å; S239-S241 PolarHBondContact O-N 3.37Å
242	V	91	Very high	90.3	Very high	17 Å²	17	49 Å²	49	10%	0.103	26%	0.259	C	S	.	.			trans	-105.9	117	-170.8	-178.8	0	0	0	0	111.5	M1 C229 L232 M233 V247	M1-V242 WeakPolarHBondContact CE-O 3.42Å; C229-V242 HydrophobicContact CB-CG1 4.12Å; L232-V242 HydrophobicContact CB-CG1 4.47Å; L232-V242 HydrophobicContact CB-CG2 3.69Å; L232-V242 HydrophobicContact CD1-CG1 4.26Å; M233-V242 HydrophobicContact CE-CB 3.86Å; M233-V242 HydrophobicContact CE-CG1 4.34Å; M233-V242 HydrophobicContact CE-CG2 4.29Å; M233-V242 HydrophobicContact CG-CB 4.14Å; M233-V242 HydrophobicContact CG-CG2 3.54Å; V242-V247 HydrophobicContact CG1-CG2 4.26Å
243	D	94.3	Very high	90.5	Very high	81 Å²	81	51.6 Å²	51.6	43%	0.433	27%	0.271	S	S	.	.			trans	-86.9	103.9	170.2	-178.3	-19.8	0	0	0	110.1	Q245 K246 V247	D243-Q245 VanDerWaalsContact C-N 3.3Å; D243-Q245 PolarHBondContact O-N 2.69Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.39Å; D243-Q245 PolarHBondContact OD1-N 3.39Å; D243-K246 HydrophobicContact CB-CB 3.87Å; D243-K246 VanDerWaalsContact CG-CB 3.47Å; D243-K246 PolarHBondContact O-N 3.27Å; D243-K246 PolarHBondContact OD1-N 3.35Å; D243-V247 VanDerWaalsContact O-CG2 3.31Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.21Å
244	I	96.4	Very high	90.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-38.3	-178	-62.2	170.6	0	0	0	111.3	M1 L225 V247 L248 Y269 I272	M1-I244 HydrophobicContact CE-CD1 3.36Å; M1-I244 HydrophobicContact CE-CG1 3.54Å; M1-I244 HydrophobicContact CG-CD1 4.06Å; M1-I244 HydrophobicContact SD-CD1 3.54Å; M1-I244 VanDerWaalsContact SD-CD1 3.54Å; M1-I244 HydrophobicContact SD-CG1 4.38Å; L225-I244 HydrophobicContact CD1-CG2 4.34Å; L225-I244 HydrophobicContact CD2-CG2 3.89Å; L225-I244 HydrophobicContact CG-CG2 4.36Å; I244-V247 PolarHBondContact O-N 3.03Å; I244-L248 WeakPolarHBondContact O-CB 3.24Å; I244-L248 PolarHBondContact O-N 3.01Å; I244-Y269 HydrophobicContact CB-CE1 4.43Å; I244-Y269 HydrophobicContact CB-CE2 3.95Å; I244-Y269 HydrophobicContact CD1-CD1 3.62Å; I244-Y269 HydrophobicContact CD1-CD2 4.05Å; I244-Y269 HydrophobicContact CD1-CE1 3.71Å; I244-Y269 HydrophobicContact CD1-CE2 4.11Å; I244-Y269 HydrophobicContact CD1-CG 3.81Å; I244-Y269 HydrophobicContact CG2-CD2 4.06Å; I244-Y269 HydrophobicContact CG2-CE2 3.64Å; I244-I272 HydrophobicContact CD1-CB 4.28Å; I244-I272 HydrophobicContact CD1-CD1 3.67Å; I244-I272 HydrophobicContact CD1-CG2 4.12Å; I244-I272 HydrophobicContact CG1-CD1 3.9Å; I244-I272 HydrophobicContact CG2-CD1 4.03Å
245	Q	97.1	Very high	91.2	Very high	48 Å²	48	51.8 Å²	51.8	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-45.4	-177.2	-49.7	-179.7	28.7	0	0	109.7	E4 L17 I21 D243 L248 L249 Y269	E4-Q245 PolarHBondContact OE1-NE2 3.48Å; L17-Q245 VanDerWaalsContact CD1-CD 3.46Å; L17-Q245 HydrophobicContact CD1-CG 4.29Å; L17-Q245 VanDerWaalsContact CD1-OE1 3.26Å; I21-Q245 HydrophobicContact CD1-CB 4.17Å; I21-Q245 HydrophobicContact CD1-CG 4.2Å; I21-Q245 HydrophobicContact CG1-CB 4.47Å; D243-Q245 VanDerWaalsContact C-N 3.3Å; D243-Q245 PolarHBondContact O-N 2.69Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.39Å; D243-Q245 PolarHBondContact OD1-N 3.39Å; Q245-L248 PolarHBondContact O-N 2.71Å; Q245-L249 WeakPolarHBondContact O-CG 3.25Å; Q245-L249 PolarHBondContact O-N 3.01Å; Q245-Y269 WeakPolarHBondContact CG-OH 3.4Å
246	K	96.6	Very high	91.8	Very high	104 Å²	104	47.8 Å²	47.8	45%	0.452	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-47	175.7	-170.9	-166.6	177	-49.2	0	111.4	D243 L248 L249 D250	D243-K246 HydrophobicContact CB-CB 3.87Å; D243-K246 VanDerWaalsContact CG-CB 3.47Å; D243-K246 PolarHBondContact O-N 3.27Å; D243-K246 PolarHBondContact OD1-N 3.35Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 3.03Å; K246-L249 PolarHBondContact O-N 3.34Å; K246-L249 VanDerWaalsContact O-N 3.15Å; K246-D250 IonicContact NZ-OD1 3.82Å; K246-D250 PolarHBondContact NZ-OD1 2.9Å; K246-D250 IonicContact NZ-OD2 3.6Å; K246-D250 PolarHBondContact NZ-OD2 3.38Å; K246-D250 PolarHBondContact O-N 2.99Å
247	V	97.9	Very high	92.3	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-42.9	177.6	175	0	0	0	0	110.9	L225 T228 L232 V242 D243 I244 D250 M251	L225-V247 HydrophobicContact CD1-CB 4.06Å; L225-V247 HydrophobicContact CD1-CG1 3.64Å; T228-V247 HydrophobicContact CG2-CG1 3.68Å; L232-V247 HydrophobicContact CD1-CG2 3.8Å; V242-V247 HydrophobicContact CG1-CG2 4.26Å; D243-V247 VanDerWaalsContact O-CG2 3.31Å; D243-V247 WeakPolarHBondContact O-CG2 3.24Å; D243-V247 PolarHBondContact O-N 3.21Å; I244-V247 PolarHBondContact O-N 3.03Å; V247-D250 PolarHBondContact O-N 3.45Å; V247-M251 HydrophobicContact CG1-CG 4.43Å; V247-M251 HydrophobicContact CG1-SD 4.06Å; V247-M251 WeakPolarHBondContact O-CB 3.09Å; V247-M251 VanDerWaalsContact O-CG 3.24Å; V247-M251 WeakPolarHBondContact O-CG 3.45Å; V247-M251 PolarHBondContact O-N 3.42Å
248	L	98.5	Very high	93.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-40.9	176.4	178	57.5	0	0	0	112.5	I21 L225 I244 Q245 K246 M251 R252 L258 I259 L265	I21-L248 HydrophobicContact CD1-CD2 4.24Å; I21-L248 HydrophobicContact CG2-CD2 3.99Å; I21-L248 HydrophobicContact CG2-CG 4.29Å; L225-L248 HydrophobicContact CD1-CB 4.07Å; L225-L248 HydrophobicContact CD2-CB 4.14Å; L225-L248 HydrophobicContact CD2-CD1 4.31Å; L225-L248 HydrophobicContact CD2-CD2 4.39Å; I244-L248 WeakPolarHBondContact O-CB 3.24Å; I244-L248 PolarHBondContact O-N 3.01Å; Q245-L248 PolarHBondContact O-N 2.71Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 3.03Å; L248-M251 PolarHBondContact O-N 3.29Å; L248-R252 HydrophobicContact CD1-CG 4.32Å; L248-R252 WeakPolarHBondContact O-CB 3.5Å; L248-R252 WeakPolarHBondContact O-CG 3.42Å; L248-R252 PolarHBondContact O-N 3.25Å; L248-L258 HydrophobicContact CD1-CB 4Å; L248-I259 HydrophobicContact CD1-CD1 3.98Å; L248-I259 HydrophobicContact CD1-CG1 4.31Å; L248-I259 HydrophobicContact CD2-CB 4.46Å; L248-I259 HydrophobicContact CD2-CD1 3.93Å; L248-L265 HydrophobicContact CD2-CD1 3.89Å
249	L	98.3	Very high	94.1	Very high	33 Å²	33	36.5 Å²	36.5	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-47.7	175.3	-74.7	168.1	0	0	0	111.1	I21 Q24 A25 Q245 K246 M251 R252 E253	I21-L249 HydrophobicContact CG2-CD2 3.88Å; I21-L249 HydrophobicContact CG2-CG 4.19Å; I21-L249 WeakPolarHBondContact O-CD2 3.06Å; Q24-L249 HydrophobicContact CB-CD1 4.34Å; Q24-L249 HydrophobicContact CB-CD2 3.88Å; A25-L249 HydrophobicContact CB-CD2 4.32Å; Q245-L249 WeakPolarHBondContact O-CG 3.25Å; Q245-L249 PolarHBondContact O-N 3.01Å; K246-L249 PolarHBondContact O-N 3.34Å; K246-L249 VanDerWaalsContact O-N 3.15Å; L249-M251 VanDerWaalsContact C-N 3.32Å; L249-M251 PolarHBondContact O-N 3.39Å; L249-R252 WeakPolarHBondContact O-CB 3.38Å; L249-R252 PolarHBondContact O-N 2.97Å; L249-E253 PolarHBondContact O-N 3.35Å
250	D	98	Very high	95.3	Very high	57 Å²	57	37.2 Å²	37.2	31%	0.305	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-43.2	177.2	-64	-13.3	0	0	0	110.9	K246 V247 R252 E253	K246-D250 IonicContact NZ-OD1 3.82Å; K246-D250 PolarHBondContact NZ-OD1 2.9Å; K246-D250 IonicContact NZ-OD2 3.6Å; K246-D250 PolarHBondContact NZ-OD2 3.38Å; K246-D250 PolarHBondContact O-N 2.99Å; V247-D250 PolarHBondContact O-N 3.45Å; D250-R252 VanDerWaalsContact C-N 3.33Å; D250-R252 PolarHBondContact O-N 2.95Å; D250-E253 WeakPolarHBondContact O-CB 3.49Å; D250-E253 PolarHBondContact O-N 3.05Å
251	M	98.6	Very high	96.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-34.7	176	-69.5	176.5	78.2	0	0	112.5	V70 V72 A224 L225 V247 L248 L249 E253 Y254 R255 L258	V70-M251 HydrophobicContact CG1-CB 4.14Å; V70-M251 HydrophobicContact CG1-CE 4.07Å; V70-M251 HydrophobicContact CG1-CG 4.17Å; V72-M251 HydrophobicContact CG2-CG 3.91Å; A224-M251 HydrophobicContact CB-CE 3.46Å; A224-M251 VanDerWaalsContact CB-CE 3.46Å; L225-M251 HydrophobicContact CB-SD 4.28Å; L225-M251 HydrophobicContact CD1-SD 4.04Å; V247-M251 HydrophobicContact CG1-CG 4.43Å; V247-M251 HydrophobicContact CG1-SD 4.06Å; V247-M251 WeakPolarHBondContact O-CB 3.09Å; V247-M251 VanDerWaalsContact O-CG 3.24Å; V247-M251 WeakPolarHBondContact O-CG 3.45Å; V247-M251 PolarHBondContact O-N 3.42Å; L248-M251 PolarHBondContact O-N 3.29Å; L249-M251 VanDerWaalsContact C-N 3.32Å; L249-M251 PolarHBondContact O-N 3.39Å; M251-E253 PolarHBondContact O-N 3.41Å; M251-Y254 PolarHBondContact O-N 3.15Å; M251-R255 PolarHBondContact O-N 3.14Å; M251-L258 HydrophobicContact CB-CD1 3.78Å; M251-L258 HydrophobicContact CE-CD1 4.4Å
252	R	98.6	Very high	97.5	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-16.3	176.7	-82.3	-179.7	171.5	-168.5	2.2	113.2	Y50 L248 L249 D250 Y254 R255 L258 I259	Y50-R252 WeakPolarHBondContact CE2-O 3.45Å; L248-R252 HydrophobicContact CD1-CG 4.32Å; L248-R252 WeakPolarHBondContact O-CB 3.5Å; L248-R252 WeakPolarHBondContact O-CG 3.42Å; L248-R252 PolarHBondContact O-N 3.25Å; L249-R252 WeakPolarHBondContact O-CB 3.38Å; L249-R252 PolarHBondContact O-N 2.97Å; D250-R252 VanDerWaalsContact C-N 3.33Å; D250-R252 PolarHBondContact O-N 2.95Å; R252-Y254 PolarHBondContact O-N 3.36Å; R252-R255 WeakPolarHBondContact CA-O 3.32Å; R252-R255 CarbonylContact O-C 3.59Å; R252-L258 HydrophobicContact CG-CB 3.99Å; R252-L258 HydrophobicContact CG-CG 4.36Å; R252-L258 PolarHBondContact NE-O 3.03Å; R252-L258 PolarHBondContact NH2-O 2.95Å; R252-I259 PolarHBondContact NH2-O 2.77Å
253	E	98.4	Very high	97.8	Very high	66 Å²	66	35 Å²	35	31%	0.308	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.3	169.1	-59.6	-167.1	-175.6	0	0	112.3	Y28 Y50 H52 L249 D250 M251	Y28-E253 WeakPolarHBondContact CD2-O 3.37Å; Y28-E253 HydrophobicContact CE2-CB 3.75Å; Y28-E253 HydrophobicContact CE2-CG 4.05Å; Y28-E253 PolarHBondContact OH-OE2 3.28Å; Y50-E253 VanDerWaalsContact CD2-O 3.25Å; Y50-E253 WeakPolarHBondContact CD2-O 3.48Å; H52-E253 PolarHBondContact CE1-O 3.02Å; H52-E253 PolarHBondContact NE2-O 2.66Å; H52-E253 VanDerWaalsContact NE2-O 3.16Å; L249-E253 PolarHBondContact O-N 3.35Å; D250-E253 WeakPolarHBondContact O-CB 3.49Å; D250-E253 PolarHBondContact O-N 3.05Å; M251-E253 PolarHBondContact O-N 3.41Å
254	Y	98.7	Very high	97.9	Very high	62 Å²	62	31.4 Å²	31.4	24%	0.243	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-32.5	179.7	-67.3	-93.5	0	0	0	112.9	S53 L69 V70 A71 M251 R252	S53-Y254 WeakPolarHBondContact CB-O 3.45Å; S53-Y254 PolarHBondContact OG-O 2.94Å; L69-Y254 WeakPolarHBondContact O-CD1 3.44Å; V70-Y254 HydrophobicContact CG1-CD2 4.43Å; V70-Y254 HydrophobicContact CG1-CG 4.43Å; A71-Y254 HydrophobicContact CB-CE1 4.38Å; A71-Y254 WeakPolarHBondContact O-CE2 3.41Å; A71-Y254 PolarHBondContact O-OH 3.15Å; M251-Y254 PolarHBondContact O-N 3.15Å; R252-Y254 PolarHBondContact O-N 3.36Å
255	R	98.8	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-145.7	128.8	177.8	-171.2	171.2	-179.1	77.8	0.2	110.6	N66 S68 V70 A215 G216 I217 M251 R252 L258	N66-R255 PolarHBondContact OD1-NH1 2.81Å; N66-R255 PolarHBondContact OD1-NH2 3.17Å; S68-R255 PolarHBondContact OG-NH1 3.44Å; S68-R255 VanDerWaalsContact OG-NH1 3.08Å; V70-R255 HydrophobicContact CG2-CB 4.18Å; A215-R255 PolarHBondContact O-NH2 3.39Å; G216-R255 WeakPolarHBondContact O-CD 3.47Å; G216-R255 PolarHBondContact O-NE 3.19Å; I217-R255 HydrophobicContact CG2-CG 4.13Å; M251-R255 PolarHBondContact O-N 3.14Å; R252-R255 WeakPolarHBondContact CA-O 3.32Å; R252-R255 CarbonylContact O-C 3.59Å; R255-L258 HydrophobicContact CB-CD2 4.14Å; R255-L258 HydrophobicContact CB-CG 4.44Å; R255-L258 HydrophobicContact CG-CD2 4.18Å; R255-L258 WeakPolarHBondContact O-CG 3.22Å
256	M	98.4	Very high	98	Very high	26 Å²	26	32.5 Å²	32.5	13%	0.128	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	149	178.9	62.7	179.9	57.8	0	0	113.1	Y30 S48 Y50 I217 L258	Y30-M256 HydrophobicContact CD1-CE 3.44Å; Y30-M256 VanDerWaalsContact CD1-CE 3.44Å; Y30-M256 HydrophobicContact CE1-CE 3.58Å; Y30-M256 HydrophobicContact CG-CE 4.1Å; S48-M256 PolarHBondContact N-SD 2.92Å; S48-M256 VanDerWaalsContact N-SD 3.38Å; S48-M256 WeakPolarHBondContact O-CE 3.42Å; Y50-M256 HydrophobicContact CD1-CE 4.18Å; Y50-M256 HydrophobicContact CE1-CB 4.2Å; Y50-M256 HydrophobicContact CE1-CE 3.65Å; Y50-M256 HydrophobicContact CE2-CB 4.46Å; I217-M256 VanDerWaalsContact CG2-O 3.25Å; I217-M256 WeakPolarHBondContact CG2-O 3.5Å; M256-L258 VanDerWaalsContact C-N 3.26Å; M256-L258 PolarHBondContact O-N 3.43Å; M256-L258 VanDerWaalsContact O-N 3.14Å
257	G	97.9	Very high	98.1	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	19.3	161.6	0	0	0	0	0	116	I259 Q260	G257-I259 PolarHBondContact O-N 3.3Å; G257-Q260 PolarHBondContact O-NE2 2.96Å
258	L	98.6	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.			trans	-55.4	130.5	173.8	-60.2	-174	0	0	0	110.2	L81 I217 L248 M251 R252 R255 M256	L81-L258 HydrophobicContact CD1-CD1 4.03Å; L81-L258 HydrophobicContact CD1-CD2 3.58Å; L81-L258 HydrophobicContact CD1-CG 4.47Å; I217-L258 HydrophobicContact CB-CD2 4.23Å; I217-L258 HydrophobicContact CG2-CD2 4.27Å; I217-L258 VanDerWaalsContact O-CA 3.3Å; I217-L258 WeakPolarHBondContact O-CA 3.37Å; L248-L258 HydrophobicContact CD1-CB 4Å; M251-L258 HydrophobicContact CB-CD1 3.78Å; M251-L258 HydrophobicContact CE-CD1 4.4Å; R252-L258 HydrophobicContact CG-CB 3.99Å; R252-L258 HydrophobicContact CG-CG 4.36Å; R252-L258 PolarHBondContact NE-O 3.03Å; R252-L258 PolarHBondContact NH2-O 2.95Å; R255-L258 HydrophobicContact CB-CD2 4.14Å; R255-L258 HydrophobicContact CB-CG 4.44Å; R255-L258 HydrophobicContact CG-CD2 4.18Å; R255-L258 WeakPolarHBondContact O-CG 3.22Å; M256-L258 VanDerWaalsContact C-N 3.26Å; M256-L258 PolarHBondContact O-N 3.43Å; M256-L258 VanDerWaalsContact O-N 3.14Å
259	I	98.3	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	64.5	115.5	-168.2	-63.4	175.6	0	0	0	111.7	Y18 I217 L225 L248 R252 G257 Q264 L265	Y18-I259 HydrophobicContact CE2-CG2 4.27Å; Y18-I259 WeakPolarHBondContact CE2-O 3.38Å; Y18-I259 PolarHBondContact OH-O 3.03Å; I217-I259 PolarHBondContact O-N 3.42Å; L225-I259 HydrophobicContact CB-CD1 4.46Å; L225-I259 HydrophobicContact CD2-CD1 3.38Å; L248-I259 HydrophobicContact CD1-CD1 3.98Å; L248-I259 HydrophobicContact CD1-CG1 4.31Å; L248-I259 HydrophobicContact CD2-CB 4.46Å; L248-I259 HydrophobicContact CD2-CD1 3.93Å; R252-I259 PolarHBondContact NH2-O 2.77Å; G257-I259 PolarHBondContact O-N 3.3Å; I259-Q264 HydrophobicContact CG2-CB 3.78Å; I259-L265 HydrophobicContact CD1-CD1 4.44Å; I259-L265 HydrophobicContact CG2-CB 3.96Å
260	Q	97.4	Very high	97.9	Very high	70 Å²	70	28.2 Å²	28.2	33%	0.327	14%	0.142	S	C	.	.			trans	-107.1	-10.6	-166.9	-74.5	-75.6	-77.6	0	0	114.1	Y18 I217 G257	Y18-Q260 VanDerWaalsContact OH-C 3.32Å; Y18-Q260 PolarHBondContact OH-O 3.46Å; I217-Q260 VanDerWaalsContact CD1-CD 3.49Å; I217-Q260 HydrophobicContact CD1-CG 4.04Å; I217-Q260 HydrophobicContact CG1-CG 3.87Å; G257-Q260 PolarHBondContact O-NE2 2.96Å
261	T	97.6	Very high	97.9	Very high	23 Å²	23	25.5 Å²	25.5	14%	0.141	13%	0.127	C	C	.	.	S	Bend	trans	-139.9	155.3	179	67.8	0	0	0	0	111.4	D263 Q264 L265	T261-D263 PolarHBondContact O-N 3.35Å; T261-Q264 PolarHBondContact O-N 2.51Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.47Å; T261-Q264 PolarHBondContact OG1-N 2.91Å; T261-Q264 VanDerWaalsContact OG1-N 3.08Å; T261-L265 PolarHBondContact O-N 3.34Å
262	P	97.6	Very high	97.8	Very high	21 Å²	21	25.5 Å²	25.5	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-37.8	169.7	-23	32.3	0	0	0	112.4	W14 Q15 Y18 Q264 L265 R266	W14-P262 HydrophobicContact CB-CB 4.12Å; Q15-P262 HydrophobicContact CB-CG 4.36Å; Q15-P262 VanDerWaalsContact OE1-CG 3.3Å; Y18-P262 HydrophobicContact CD1-CG 4.13Å; Y18-P262 HydrophobicContact CG-CG 4.05Å; P262-Q264 VanDerWaalsContact C-N 3.34Å; P262-Q264 PolarHBondContact O-N 2.67Å; P262-L265 WeakPolarHBondContact O-CB 3.46Å; P262-L265 PolarHBondContact O-N 3.33Å; P262-L265 VanDerWaalsContact O-N 3.14Å; P262-R266 WeakPolarHBondContact O-CB 3.44Å; P262-R266 PolarHBondContact O-N 2.9Å
263	D	97	Very high	97.5	Very high	97 Å²	97	26.1 Å²	26.1	52%	0.519	13%	0.131	S	C	.	.	H	α-helix	trans	-64.5	-37.9	178.5	-64.5	-18.5	0	0	0	112	V182 T261 L265 R266 F267	V182-D263 HydrophobicContact CG1-CB 4.18Å; V182-D263 WeakPolarHBondContact CG1-O 3.24Å; T261-D263 PolarHBondContact O-N 3.35Å; D263-L265 VanDerWaalsContact C-N 3.33Å; D263-R266 PolarHBondContact O-N 3.47Å; D263-F267 VanDerWaalsContact O-CB 3.23Å; D263-F267 WeakPolarHBondContact O-CB 3.42Å; D263-F267 PolarHBondContact O-N 2.94Å
264	Q	97.8	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-37.4	173.8	-77.9	173	1.9	0	0	111.8	V182 I259 T261 P262 S268	V182-Q264 HydrophobicContact CG1-CG 4.09Å; I259-Q264 HydrophobicContact CG2-CB 3.78Å; T261-Q264 PolarHBondContact O-N 2.51Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.47Å; T261-Q264 PolarHBondContact OG1-N 2.91Å; T261-Q264 VanDerWaalsContact OG1-N 3.08Å; P262-Q264 VanDerWaalsContact C-N 3.34Å; P262-Q264 PolarHBondContact O-N 2.67Å; Q264-S268 PolarHBondContact O-N 2.95Å; Q264-S268 PolarHBondContact O-OG 3.02Å
265	L	98.1	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-48.6	174.9	-178	62.1	0	0	0	111	W14 L17 I21 L248 I259 T261 P262 D263 F267 S268 Y269	W14-L265 HydrophobicContact CE3-CD2 4.44Å; W14-L265 HydrophobicContact CE3-CG 4.36Å; W14-L265 HydrophobicContact CZ3-CG 4.23Å; L17-L265 HydrophobicContact CD2-CD2 4.1Å; L17-L265 HydrophobicContact CG-CD2 4Å; I21-L265 HydrophobicContact CD1-CD1 4.28Å; I21-L265 HydrophobicContact CD1-CD2 3.81Å; L248-L265 HydrophobicContact CD2-CD1 3.89Å; I259-L265 HydrophobicContact CD1-CD1 4.44Å; I259-L265 HydrophobicContact CG2-CB 3.96Å; T261-L265 PolarHBondContact O-N 3.34Å; P262-L265 WeakPolarHBondContact O-CB 3.46Å; P262-L265 PolarHBondContact O-N 3.33Å; P262-L265 VanDerWaalsContact O-N 3.14Å; D263-L265 VanDerWaalsContact C-N 3.33Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.04Å; L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 2.82Å; L265-S268 VanDerWaalsContact O-N 3.17Å; L265-Y269 HydrophobicContact CD1-CD2 4.29Å; L265-Y269 HydrophobicContact CD1-CE2 4.02Å; L265-Y269 HydrophobicContact CG-CD2 4.46Å; L265-Y269 HydrophobicContact CG-CE2 4.35Å; L265-Y269 WeakPolarHBondContact O-CD2 3.45Å; L265-Y269 PolarHBondContact O-N 2.85Å; L265-Y269 VanDerWaalsContact O-N 3.09Å
266	R	97.4	Very high	96.7	Very high	73 Å²	73	23.3 Å²	23.3	28%	0.275	12%	0.121	S	C	.	.	H	α-helix	trans	-55.9	-47	174.8	-179.1	178.4	-174.5	-78.4	-6.6	111.4	F5 D9 W14 P262 D263 S268 Y269 M270	F5-R266 HydrophobicContact CE2-CG 4.04Å; F5-R266 HydrophobicContact CZ-CG 4.49Å; D9-R266 IonicContact OD1-CZ 3.42Å; D9-R266 IonicContact OD1-NE 3.35Å; D9-R266 PolarHBondContact OD1-NE 3.06Å; D9-R266 IonicContact OD1-NH2 3.74Å; D9-R266 PolarHBondContact OD1-NH2 2.75Å; D9-R266 IonicContact OD2-CZ 3.55Å; D9-R266 IonicContact OD2-NE 2.79Å; D9-R266 IonicContact OD2-NH2 3.15Å; D9-R266 PolarHBondContact OD2-NH2 3.47Å; W14-R266 HydrophobicContact CD2-CB 3.64Å; W14-R266 HydrophobicContact CD2-CG 3.94Å; W14-R266 VanDerWaalsContact CE2-CG 3.49Å; W14-R266 HydrophobicContact CE3-CB 3.88Å; W14-R266 HydrophobicContact CG-CB 4.11Å; W14-R266 HydrophobicContact CG-CG 4.37Å; W14-R266 HydrophobicContact CH2-CB 4.36Å; W14-R266 HydrophobicContact CH2-CG 4.4Å; W14-R266 HydrophobicContact CZ2-CB 4.13Å; W14-R266 HydrophobicContact CZ2-CG 3.77Å; W14-R266 HydrophobicContact CZ3-CB 4.23Å; P262-R266 WeakPolarHBondContact O-CB 3.44Å; P262-R266 PolarHBondContact O-N 2.9Å; D263-R266 PolarHBondContact O-N 3.47Å; R266-S268 VanDerWaalsContact C-N 3.35Å; R266-S268 PolarHBondContact O-N 3.11Å; R266-Y269 WeakPolarHBondContact O-CB 3.45Å; R266-Y269 PolarHBondContact O-N 3.48Å; R266-M270 HydrophobicContact CG-SD 4.44Å; R266-M270 PolarHBondContact NH1-SD 3.48Å; R266-M270 WeakPolarHBondContact O-CG 3.22Å; R266-M270 PolarHBondContact O-N 3.44Å
267	F	97.7	Very high	96.3	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-41.2	177.7	-178.8	-92.9	0	0	0	112	V182 P183 P186 F189 T222 D263 L265 Y269 M270 S271	V182-F267 HydrophobicContact CB-CB 3.97Å; V182-F267 HydrophobicContact CB-CD2 3.86Å; V182-F267 HydrophobicContact CB-CG 3.88Å; V182-F267 HydrophobicContact CG1-CB 3.63Å; V182-F267 HydrophobicContact CG1-CD2 4.46Å; V182-F267 HydrophobicContact CG1-CG 4.03Å; V182-F267 HydrophobicContact CG2-CD2 4.26Å; P183-F267 HydrophobicContact CB-CE2 3.94Å; P183-F267 HydrophobicContact CB-CZ 3.72Å; P183-F267 VanDerWaalsContact CD-CZ 3.45Å; P183-F267 HydrophobicContact CG-CE1 3.88Å; P183-F267 HydrophobicContact CG-CE2 4.07Å; P183-F267 HydrophobicContact CG-CZ 3.48Å; P183-F267 VanDerWaalsContact CG-CZ 3.48Å; P186-F267 HydrophobicContact CG-CE2 4.18Å; F189-F267 HydrophobicContact CB-CE1 4.17Å; F189-F267 HydrophobicContact CB-CZ 3.77Å; F189-F267 HydrophobicContact CD1-CE1 4.16Å; F189-F267 HydrophobicContact CD1-CZ 4.41Å; F189-F267 HydrophobicContact CD2-CE1 4.26Å; F189-F267 AromaticContact CG-CE1 3.91Å; F189-F267 HydrophobicContact CG-CE1 3.91Å; F189-F267 HydrophobicContact CG-CZ 4.03Å; T222-F267 HydrophobicContact CG2-CD1 3.89Å; T222-F267 HydrophobicContact CG2-CE1 4.3Å; D263-F267 VanDerWaalsContact O-CB 3.23Å; D263-F267 WeakPolarHBondContact O-CB 3.42Å; D263-F267 PolarHBondContact O-N 2.94Å; L265-F267 VanDerWaalsContact C-N 3.31Å; L265-F267 PolarHBondContact O-N 3.04Å; F267-Y269 VanDerWaalsContact C-N 3.33Å; F267-Y269 PolarHBondContact O-N 3.03Å; F267-M270 PolarHBondContact O-N 3.44Å; F267-S271 VanDerWaalsContact CE1-OG 3.28Å; F267-S271 WeakPolarHBondContact CE1-OG 3.38Å; F267-S271 WeakPolarHBondContact CZ-OG 3.41Å; F267-S271 PolarHBondContact O-N 3.44Å; F267-S271 PolarHBondContact O-OG 3.04Å
268	S	98.2	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.7	-47.3	172.9	-75	0	0	0	0	111.8	T222 Q264 L265 R266 S271 I272	T222-S268 WeakPolarHBondContact CG2-OG 3.21Å; Q264-S268 PolarHBondContact O-N 2.95Å; Q264-S268 PolarHBondContact O-OG 3.02Å; L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 2.82Å; L265-S268 VanDerWaalsContact O-N 3.17Å; R266-S268 VanDerWaalsContact C-N 3.35Å; R266-S268 PolarHBondContact O-N 3.11Å; S268-S271 PolarHBondContact O-N 3.14Å; S268-I272 WeakPolarHBondContact O-CB 3.49Å; S268-I272 WeakPolarHBondContact O-CD1 3.47Å; S268-I272 WeakPolarHBondContact O-CG1 3.43Å; S268-I272 PolarHBondContact O-N 3.39Å
269	Y	97.3	Very high	95.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-47.5	175.9	-88.3	-110.2	0	0	0	112	M1 E4 F5 W14 I244 Q245 L265 R266 F267 S271 I272 I273	M1-Y269 HydrophobicContact CG-CD1 4.5Å; E4-Y269 PolarHBondContact OE1-OH 3.38Å; F5-Y269 HydrophobicContact CB-CD1 4.44Å; F5-Y269 HydrophobicContact CD2-CD1 4.39Å; F5-Y269 HydrophobicContact CD2-CG 4.39Å; W14-Y269 HydrophobicContact CH2-CD1 4.17Å; W14-Y269 HydrophobicContact CH2-CD2 4.02Å; W14-Y269 AromaticContact CH2-CG 3.81Å; W14-Y269 HydrophobicContact CH2-CG 3.81Å; W14-Y269 AromaticContact CZ3-CD2 3.91Å; W14-Y269 HydrophobicContact CZ3-CD2 3.91Å; W14-Y269 HydrophobicContact CZ3-CE2 4.2Å; W14-Y269 HydrophobicContact CZ3-CG 4.19Å; I244-Y269 HydrophobicContact CB-CE1 4.43Å; I244-Y269 HydrophobicContact CB-CE2 3.95Å; I244-Y269 HydrophobicContact CD1-CD1 3.62Å; I244-Y269 HydrophobicContact CD1-CD2 4.05Å; I244-Y269 HydrophobicContact CD1-CE1 3.71Å; I244-Y269 HydrophobicContact CD1-CE2 4.11Å; I244-Y269 HydrophobicContact CD1-CG 3.81Å; I244-Y269 HydrophobicContact CG2-CD2 4.06Å; I244-Y269 HydrophobicContact CG2-CE2 3.64Å; Q245-Y269 WeakPolarHBondContact CG-OH 3.4Å; L265-Y269 HydrophobicContact CD1-CD2 4.29Å; L265-Y269 HydrophobicContact CD1-CE2 4.02Å; L265-Y269 HydrophobicContact CG-CD2 4.46Å; L265-Y269 HydrophobicContact CG-CE2 4.35Å; L265-Y269 WeakPolarHBondContact O-CD2 3.45Å; L265-Y269 PolarHBondContact O-N 2.85Å; L265-Y269 VanDerWaalsContact O-N 3.09Å; R266-Y269 WeakPolarHBondContact O-CB 3.45Å; R266-Y269 PolarHBondContact O-N 3.48Å; F267-Y269 VanDerWaalsContact C-N 3.33Å; F267-Y269 PolarHBondContact O-N 3.03Å; Y269-S271 PolarHBondContact O-N 2.94Å; Y269-I272 PolarHBondContact O-N 3.24Å; Y269-I273 WeakPolarHBondContact O-CB 3.45Å; Y269-I273 VanDerWaalsContact O-CG1 3.31Å; Y269-I273 WeakPolarHBondContact O-CG1 3.23Å; Y269-I273 PolarHBondContact O-N 2.85Å
270	M	95.9	Very high	94.2	Very high	55 Å²	55	29.5 Å²	29.5	27%	0.271	14%	0.144	S	C	.	.	H	α-helix	trans	-57.8	-46.8	178	-67.8	175.4	67.9	0	0	111.9	F5 P186 R266 F267 I273 E274	F5-M270 HydrophobicContact CE2-CG 3.49Å; F5-M270 VanDerWaalsContact CE2-CG 3.49Å; F5-M270 HydrophobicContact CZ-CG 3.48Å; F5-M270 VanDerWaalsContact CZ-CG 3.48Å; F5-M270 HydrophobicContact CZ-SD 4.25Å; P186-M270 HydrophobicContact CG-CB 3.9Å; P186-M270 HydrophobicContact CG-CE 4.01Å; R266-M270 HydrophobicContact CG-SD 4.44Å; R266-M270 PolarHBondContact NH1-SD 3.48Å; R266-M270 WeakPolarHBondContact O-CG 3.22Å; R266-M270 PolarHBondContact O-N 3.44Å; F267-M270 PolarHBondContact O-N 3.44Å; M270-I273 PolarHBondContact O-N 3.18Å; M270-E274 WeakPolarHBondContact O-CB 3.49Å; M270-E274 PolarHBondContact O-N 2.89Å
271	S	96.9	Very high	93	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.3	-36	178.8	-60.4	0	0	0	0	112.7	F267 S268 Y269 G275	F267-S271 VanDerWaalsContact CE1-OG 3.28Å; F267-S271 WeakPolarHBondContact CE1-OG 3.38Å; F267-S271 WeakPolarHBondContact CZ-OG 3.41Å; F267-S271 PolarHBondContact O-N 3.44Å; F267-S271 PolarHBondContact O-OG 3.04Å; S268-S271 PolarHBondContact O-N 3.14Å; Y269-S271 PolarHBondContact O-N 2.94Å; S271-G275 PolarHBondContact O-N 2.81Å
272	I	96.4	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-46.2	176.7	-68.6	161.3	0	0	0	110.4	M1 V226 C229 L230 M233 I244 S268 Y269 E274 G275 A276	M1-I272 HydrophobicContact CE-CG2 4.11Å; M1-I272 HydrophobicContact SD-CB 4.46Å; M1-I272 HydrophobicContact SD-CG2 3.63Å; V226-I272 HydrophobicContact CB-CG1 4.17Å; V226-I272 HydrophobicContact CG1-CG1 3.96Å; V226-I272 HydrophobicContact CG2-CD1 4.4Å; V226-I272 HydrophobicContact CG2-CG1 4.06Å; C229-I272 HydrophobicContact CB-CD1 3.67Å; C229-I272 HydrophobicContact CB-CG1 3.92Å; C229-I272 HydrophobicContact CB-CG2 4.03Å; L230-I272 HydrophobicContact CD2-CG2 4.49Å; L230-I272 WeakPolarHBondContact CD2-O 3.46Å; M233-I272 HydrophobicContact CE-CG2 3.41Å; M233-I272 VanDerWaalsContact CE-CG2 3.41Å; M233-I272 HydrophobicContact SD-CG2 4.09Å; I244-I272 HydrophobicContact CD1-CB 4.28Å; I244-I272 HydrophobicContact CD1-CD1 3.67Å; I244-I272 HydrophobicContact CD1-CG2 4.12Å; I244-I272 HydrophobicContact CG1-CD1 3.9Å; I244-I272 HydrophobicContact CG2-CD1 4.03Å; S268-I272 WeakPolarHBondContact O-CB 3.49Å; S268-I272 WeakPolarHBondContact O-CD1 3.47Å; S268-I272 WeakPolarHBondContact O-CG1 3.43Å; S268-I272 PolarHBondContact O-N 3.39Å; Y269-I272 PolarHBondContact O-N 3.24Å; I272-E274 PolarHBondContact O-N 3.21Å; I272-G275 PolarHBondContact O-N 2.91Å; I272-A276 WeakPolarHBondContact O-CB 3.25Å; I272-A276 PolarHBondContact O-N 3.01Å
273	I	94	Very high	89.8	Confident	20 Å²	20	34.6 Å²	34.6	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-50.1	177.7	-71.3	165.4	0	0	0	110.3	M1 E2 F5 Y269 M270 A276 K277	M1-I273 HydrophobicContact CG-CD1 4.21Å; M1-I273 HydrophobicContact CG-CG1 3.84Å; M1-I273 HydrophobicContact SD-CG1 3.87Å; E2-I273 HydrophobicContact CG-CD1 4.3Å; E2-I273 HydrophobicContact CG-CG1 4.2Å; E2-I273 HydrophobicContact CG-CG2 3.77Å; E2-I273 WeakPolarHBondContact OE1-CG2 3.46Å; F5-I273 HydrophobicContact CB-CD1 3.68Å; F5-I273 HydrophobicContact CD1-CD1 4.4Å; F5-I273 HydrophobicContact CD2-CD1 4.19Å; F5-I273 HydrophobicContact CG-CD1 3.83Å; Y269-I273 WeakPolarHBondContact O-CB 3.45Å; Y269-I273 VanDerWaalsContact O-CG1 3.31Å; Y269-I273 WeakPolarHBondContact O-CG1 3.23Å; Y269-I273 PolarHBondContact O-N 2.85Å; M270-I273 PolarHBondContact O-N 3.18Å; I273-A276 PolarHBondContact O-N 3.15Å; I273-K277 WeakPolarHBondContact O-CG 3.45Å; I273-K277 PolarHBondContact O-N 3.15Å
274	E	93.3	Very high	88	Confident	63 Å²	63	34.6 Å²	34.6	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-67.5	-43.4	-178.5	-167.9	63.2	-166.1	0	0	112	L190 M270 I272 A276 K277 L278	L190-E274 HydrophobicContact CD1-CB 3.89Å; L190-E274 HydrophobicContact CD1-CG 3.97Å; M270-E274 WeakPolarHBondContact O-CB 3.49Å; M270-E274 PolarHBondContact O-N 2.89Å; I272-E274 PolarHBondContact O-N 3.21Å; E274-A276 VanDerWaalsContact C-N 3.31Å; E274-A276 PolarHBondContact O-N 3.33Å; E274-K277 WeakPolarHBondContact O-CB 3.26Å; E274-K277 PolarHBondContact O-N 3.35Å; E274-K277 IonicContact OE2-NZ 2.66Å; E274-L278 PolarHBondContact O-N 2.87Å
275	G	94	Very high	85.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-35	176.1	0	0	0	0	0	113	L230 S271 I272 L278 I279	L230-G275 VanDerWaalsContact CD2-C 3.44Å; S271-G275 PolarHBondContact O-N 2.81Å; I272-G275 PolarHBondContact O-N 2.91Å; G275-L278 PolarHBondContact O-N 2.97Å; G275-I279 WeakPolarHBondContact O-CG1 3.33Å; G275-I279 PolarHBondContact O-N 2.99Å
276	A	91.9	Very high	83.9	Confident	7 Å²	7	42.5 Å²	42.5	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-39.6	177.3	0	0	0	0	0	111.4	L230 M233 I272 I273 E274 L278 I279 L280	L230-A276 HydrophobicContact CD2-CB 4.32Å; L230-A276 VanDerWaalsContact CD2-N 3.34Å; M233-A276 HydrophobicContact SD-CB 3.59Å; M233-A276 VanDerWaalsContact SD-CB 3.59Å; I272-A276 WeakPolarHBondContact O-CB 3.25Å; I272-A276 PolarHBondContact O-N 3.01Å; I273-A276 PolarHBondContact O-N 3.15Å; E274-A276 VanDerWaalsContact C-N 3.31Å; E274-A276 PolarHBondContact O-N 3.33Å; A276-L278 VanDerWaalsContact C-N 3.3Å; A276-L278 PolarHBondContact O-N 3.11Å; A276-I279 PolarHBondContact O-N 3.47Å; A276-L280 HydrophobicContact CB-CD1 4.47Å; A276-L280 VanDerWaalsContact O-CB 3.25Å; A276-L280 WeakPolarHBondContact O-CB 3.33Å; A276-L280 VanDerWaalsContact O-CG 3.23Å; A276-L280 WeakPolarHBondContact O-CG 3.44Å; A276-L280 PolarHBondContact O-N 2.74Å
277	K	89.7	Confident	82	Confident	90 Å²	90	40.5 Å²	40.5	39%	0.391	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-44.6	173.3	-66.8	171	-172.3	170.4	0	110.9	E2 I273 E274 T281	E2-K277 WeakPolarHBondContact OE1-CE 3.46Å; E2-K277 IonicContact OE1-NZ 3.02Å; I273-K277 WeakPolarHBondContact O-CG 3.45Å; I273-K277 PolarHBondContact O-N 3.15Å; E274-K277 WeakPolarHBondContact O-CB 3.26Å; E274-K277 PolarHBondContact O-N 3.35Å; E274-K277 IonicContact OE2-NZ 2.66Å; K277-T281 WeakPolarHBondContact O-CB 3.48Å; K277-T281 PolarHBondContact O-N 3.41Å; K277-T281 PolarHBondContact O-OG1 2.9Å
278	L	86.6	Confident	80	Confident	13 Å²	13	43.7 Å²	43.7	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-46.1	179.1	-64.6	173.7	0	0	0	112.2	F194 E274 G275 A276 Y282 Q290 F294	F194-L278 HydrophobicContact CE2-CD1 3.77Å; F194-L278 HydrophobicContact CZ-CD1 4.36Å; E274-L278 PolarHBondContact O-N 2.87Å; G275-L278 PolarHBondContact O-N 2.97Å; A276-L278 VanDerWaalsContact C-N 3.3Å; A276-L278 PolarHBondContact O-N 3.11Å; L278-Y282 HydrophobicContact CD2-CD2 4.31Å; L278-Y282 HydrophobicContact CD2-CE2 4.25Å; L278-Y282 WeakPolarHBondContact O-CB 3.4Å; L278-Y282 WeakPolarHBondContact O-CD2 3.28Å; L278-Y282 PolarHBondContact O-N 3.37Å; L278-Q290 HydrophobicContact CD2-CG 4.33Å; L278-F294 HydrophobicContact CD2-CE2 4.02Å
279	I	84.6	Confident	78.1	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-73.4	-36.2	-175.9	-64.9	171.1	0	0	0	112.5	F194 L230 D234 G275 A276	F194-I279 HydrophobicContact CE1-CD1 4.13Å; F194-I279 HydrophobicContact CE1-CG1 4.24Å; F194-I279 HydrophobicContact CZ-CD1 4.43Å; F194-I279 HydrophobicContact CZ-CG1 4.3Å; L230-I279 HydrophobicContact CB-CD1 3.83Å; L230-I279 HydrophobicContact CD1-CD1 4.26Å; L230-I279 HydrophobicContact CD2-CD1 4.12Å; L230-I279 HydrophobicContact CG-CD1 4.29Å; D234-I279 HydrophobicContact CB-CG2 3.78Å; D234-I279 WeakPolarHBondContact OD1-CG2 3.48Å; G275-I279 WeakPolarHBondContact O-CG1 3.33Å; G275-I279 PolarHBondContact O-N 2.99Å; A276-I279 PolarHBondContact O-N 3.47Å
280	L	79.3	Confident	76.2	Confident	66 Å²	66	50 Å²	50	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-83.6	-25.4	-177	-64.2	173.6	0	0	0	113.2	A276	A276-L280 HydrophobicContact CB-CD1 4.47Å; A276-L280 VanDerWaalsContact O-CB 3.25Å; A276-L280 WeakPolarHBondContact O-CB 3.33Å; A276-L280 VanDerWaalsContact O-CG 3.23Å; A276-L280 WeakPolarHBondContact O-CG 3.44Å; A276-L280 PolarHBondContact O-N 2.74Å
281	T	71.9	Confident	74.4	Confident	94 Å²	94	48 Å²	48	58%	0.577	27%	0.272	S	S	*	.	H	α-helix	trans	-90.8	-35.6	-177.4	-50.1	0	0	0	0	112.3	K277	K277-T281 WeakPolarHBondContact O-CB 3.48Å; K277-T281 PolarHBondContact O-N 3.41Å; K277-T281 PolarHBondContact O-OG1 2.9Å
282	Y	66.8	Low	72.3	Confident	69 Å²	69	49.5 Å²	49.5	27%	0.271	29%	0.287	S	S	.	.	S	Bend	trans	-114.3	138.7	-170.4	-59.8	-72.8	0	0	0	111.4	L278 E286 Q287 Q290	L278-Y282 HydrophobicContact CD2-CD2 4.31Å; L278-Y282 HydrophobicContact CD2-CE2 4.25Å; L278-Y282 WeakPolarHBondContact O-CB 3.4Å; L278-Y282 WeakPolarHBondContact O-CD2 3.28Å; L278-Y282 PolarHBondContact O-N 3.37Å; Y282-E286 HydrophobicContact CD1-CB 4.14Å; Y282-E286 HydrophobicContact CG-CB 4.43Å; Y282-Q287 PolarHBondContact O-NE2 3.39Å; Y282-Q290 HydrophobicContact CD2-CG 4.37Å; Y282-Q290 HydrophobicContact CE1-CG 4.45Å; Y282-Q290 HydrophobicContact CE2-CG 3.87Å; Y282-Q290 VanDerWaalsContact CZ-CD 3.42Å; Y282-Q290 VanDerWaalsContact CZ-OE1 3.31Å; Y282-Q290 PolarHBondContact OH-NE2 2.85Å; Y282-Q290 PolarHBondContact OH-OE1 2.97Å
283	S	60.7	Low	70.4	Confident	59 Å²	59	54 Å²	54	41%	0.413	31%	0.311	S	S	.	.			trans	-60.8	158.8	168	68.6	0	0	0	0	110.4	A285 E286 Q287	S283-A285 PolarHBondContact O-N 3.48Å; S283-E286 VanDerWaalsContact CB-OE2 3.31Å; S283-E286 WeakPolarHBondContact CB-OE2 3.4Å; S283-E286 PolarHBondContact N-OE2 3.41Å; S283-E286 PolarHBondContact O-N 3.46Å; S283-E286 VanDerWaalsContact OG-CD 3.24Å; S283-E286 WeakPolarHBondContact OG-CG 3.4Å; S283-E286 PolarHBondContact OG-OE2 3.42Å; S283-Q287 WeakPolarHBondContact O-CG 3.16Å; S283-Q287 PolarHBondContact O-N 2.93Å
284	S	58.9	Low	68.4	Low	97 Å²	97	56.9 Å²	56.9	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-55.3	-25.9	-179.2	51.5	0	0	0	0	114
285	A	53.8	Low	66.2	Low	71 Å²	71	58.7 Å²	58.7	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-78.6	-33.8	175.5	0	0	0	0	0	113	S283	S283-A285 PolarHBondContact O-N 3.48Å
286	E	56	Low	64	Low	99 Å²	99	65 Å²	65	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-81.7	-27.4	-178.3	-69.8	162.5	145.7	0	0	112.4	Y282 S283 N288 S289 Q290	Y282-E286 HydrophobicContact CD1-CB 4.14Å; Y282-E286 HydrophobicContact CG-CB 4.43Å; S283-E286 VanDerWaalsContact CB-OE2 3.31Å; S283-E286 WeakPolarHBondContact CB-OE2 3.4Å; S283-E286 PolarHBondContact N-OE2 3.41Å; S283-E286 PolarHBondContact O-N 3.46Å; S283-E286 VanDerWaalsContact OG-CD 3.24Å; S283-E286 WeakPolarHBondContact OG-CG 3.4Å; S283-E286 PolarHBondContact OG-OE2 3.42Å; E286-N288 PolarHBondContact O-N 3.05Å; E286-S289 PolarHBondContact O-N 3.46Å; E286-S289 VanDerWaalsContact O-N 3.16Å; E286-Q290 PolarHBondContact O-N 3.31Å
287	Q	59	Low	61.9	Low	31 Å²	31	70 Å²	70	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-52.3	-43.9	174.2	-71.8	169.3	20.1	0	0	111	Y282 S283 S289 Q290 I291	Y282-Q287 PolarHBondContact O-NE2 3.39Å; S283-Q287 WeakPolarHBondContact O-CG 3.16Å; S283-Q287 PolarHBondContact O-N 2.93Å; Q287-S289 PolarHBondContact O-N 2.97Å; Q287-Q290 PolarHBondContact O-N 3.15Å; Q287-I291 HydrophobicContact CB-CD1 4.43Å; Q287-I291 WeakPolarHBondContact O-CB 3.45Å; Q287-I291 WeakPolarHBondContact O-CD1 3.33Å; Q287-I291 WeakPolarHBondContact O-CG1 3.31Å; Q287-I291 PolarHBondContact O-N 2.9Å
288	N	54.8	Low	59.7	Low	73 Å²	73	69 Å²	69	39%	0.39	38%	0.381	S	S	.	.	H	α-helix	trans	-67.7	-35.9	-178.6	-67.8	-7.1	0	0	0	113.3	E198 E286 G292	E198-N288 PolarHBondContact OE1-OD1 3.48Å; E286-N288 PolarHBondContact O-N 3.05Å; N288-G292 PolarHBondContact O-N 3.33Å
289	S	58.6	Low	57.8	Low	80 Å²	80	72.8 Å²	72.8	56%	0.559	40%	0.398	S	S	*	.	H	α-helix	trans	-72	-39.9	175.6	-64.1	0	0	0	0	111.7	E286 Q287 G292 L293	E286-S289 PolarHBondContact O-N 3.46Å; E286-S289 VanDerWaalsContact O-N 3.16Å; Q287-S289 PolarHBondContact O-N 2.97Å; S289-G292 PolarHBondContact O-N 3.06Å; S289-L293 WeakPolarHBondContact O-CG 3.32Å; S289-L293 PolarHBondContact O-N 3.21Å
290	Q	58.2	Low	56	Low	53 Å²	53	75.6 Å²	75.6	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-66.6	-44.3	176.9	-150.4	81.4	28.7	0	0	111	L278 Y282 E286 Q287 G292 L293 F294	L278-Q290 HydrophobicContact CD2-CG 4.33Å; Y282-Q290 HydrophobicContact CD2-CG 4.37Å; Y282-Q290 HydrophobicContact CE1-CG 4.45Å; Y282-Q290 HydrophobicContact CE2-CG 3.87Å; Y282-Q290 VanDerWaalsContact CZ-CD 3.42Å; Y282-Q290 VanDerWaalsContact CZ-OE1 3.31Å; Y282-Q290 PolarHBondContact OH-NE2 2.85Å; Y282-Q290 PolarHBondContact OH-OE1 2.97Å; E286-Q290 PolarHBondContact O-N 3.31Å; Q287-Q290 PolarHBondContact O-N 3.15Å; Q290-G292 VanDerWaalsContact C-N 3.27Å; Q290-G292 PolarHBondContact O-N 2.68Å; Q290-L293 PolarHBondContact O-N 3.03Å; Q290-L293 VanDerWaalsContact O-N 3.15Å; Q290-F294 HydrophobicContact CG-CD2 4.42Å; Q290-F294 HydrophobicContact CG-CE2 3.98Å; Q290-F294 WeakPolarHBondContact O-CD2 3.25Å; Q290-F294 PolarHBondContact O-N 3.29Å
291	I	57.6	Low	54.3	Low	13 Å²	13	79.6 Å²	79.6	7%	0.067	44%	0.44	C	S	.	.	H	α-helix	trans	-60.6	-37.3	174.5	-66.5	158.5	0	0	0	111.1	N191 F194 Q287 F294 R295	N191-I291 HydrophobicContact CB-CG2 3.88Å; N191-I291 WeakPolarHBondContact OD1-CG2 3.23Å; F194-I291 HydrophobicContact CB-CD1 3.9Å; F194-I291 HydrophobicContact CD2-CD1 3.2Å; F194-I291 HydrophobicContact CD2-CG1 3.93Å; F194-I291 HydrophobicContact CE2-CD1 3.87Å; F194-I291 HydrophobicContact CE2-CG1 4.33Å; F194-I291 HydrophobicContact CG-CD1 3.75Å; Q287-I291 HydrophobicContact CB-CD1 4.43Å; Q287-I291 WeakPolarHBondContact O-CB 3.45Å; Q287-I291 WeakPolarHBondContact O-CD1 3.33Å; Q287-I291 WeakPolarHBondContact O-CG1 3.31Å; Q287-I291 PolarHBondContact O-N 2.9Å; I291-F294 PolarHBondContact O-N 3.37Å; I291-R295 PolarHBondContact O-N 3.16Å
292	G	53.3	Low	53	Low	32 Å²	32	81.3 Å²	81.3	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-38.2	173.3	0	0	0	0	0	113.8	N288 S289 Q290 R295 E296	N288-G292 PolarHBondContact O-N 3.33Å; S289-G292 PolarHBondContact O-N 3.06Å; Q290-G292 VanDerWaalsContact C-N 3.27Å; Q290-G292 PolarHBondContact O-N 2.68Å; G292-R295 VanDerWaalsContact O-CB 3.29Å; G292-R295 WeakPolarHBondContact O-CB 3.3Å; G292-R295 PolarHBondContact O-N 3.02Å; G292-E296 PolarHBondContact O-N 2.75Å
293	L	55	Low	51.7	Low	95 Å²	95	85.7 Å²	85.7	50%	0.497	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-39.7	175.3	-75	158.3	0	0	0	112	S289 Q290 R295 E296 D297	S289-L293 WeakPolarHBondContact O-CG 3.32Å; S289-L293 PolarHBondContact O-N 3.21Å; Q290-L293 PolarHBondContact O-N 3.03Å; Q290-L293 VanDerWaalsContact O-N 3.15Å; L293-R295 PolarHBondContact O-N 2.63Å; L293-E296 PolarHBondContact O-N 3.34Å; L293-D297 PolarHBondContact O-N 2.83Å
294	F	52.8	Low	50.8	Low	79 Å²	79	88.2 Å²	88.2	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-61.1	-26.9	172.5	-79.9	-72.2	0	0	0	113.2	L278 Q290 I291 L298	L278-F294 HydrophobicContact CD2-CE2 4.02Å; Q290-F294 HydrophobicContact CG-CD2 4.42Å; Q290-F294 HydrophobicContact CG-CE2 3.98Å; Q290-F294 WeakPolarHBondContact O-CD2 3.25Å; Q290-F294 PolarHBondContact O-N 3.29Å; I291-F294 PolarHBondContact O-N 3.37Å; F294-L298 PolarHBondContact O-N 3.01Å
295	R	46	Very low	49.9	Very low	102 Å²	102	89.5 Å²	89.5	39%	0.385	49%	0.489	S	S	.	.	H	α-helix	trans	-70.9	-38.5	177	-177.4	-174.2	166.4	148.4	4.8	111.9	Q148 I291 G292 L293 E299	Q148-R295 VanDerWaalsContact OE1-CZ 3.29Å; Q148-R295 VanDerWaalsContact OE1-NH1 3.15Å; I291-R295 PolarHBondContact O-N 3.16Å; G292-R295 VanDerWaalsContact O-CB 3.29Å; G292-R295 WeakPolarHBondContact O-CB 3.3Å; G292-R295 PolarHBondContact O-N 3.02Å; L293-R295 PolarHBondContact O-N 2.63Å; R295-E299 IonicContact NE-OE1 3.67Å; R295-E299 PolarHBondContact NE-OE1 3.48Å; R295-E299 IonicContact NH2-OE1 3.69Å; R295-E299 WeakPolarHBondContact O-CG 3.18Å; R295-E299 PolarHBondContact O-N 3.22Å; R295-E299 VanDerWaalsContact O-N 3.13Å
296	E	48.3	Very low	49.4	Very low	132 Å²	132	92.3 Å²	92.3	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-69.4	-40.2	178.3	-70.6	-177.5	166.6	0	0	111.9	G292 L293 L298 E299 S300	G292-E296 PolarHBondContact O-N 2.75Å; L293-E296 PolarHBondContact O-N 3.34Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.42Å; E296-E299 PolarHBondContact O-N 3.09Å; E296-S300 WeakPolarHBondContact O-CB 3.43Å; E296-S300 PolarHBondContact O-N 3.5Å
297	D	49.3	Very low	48.7	Very low	113 Å²	113	93.1 Å²	93.1	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-61.6	-41.7	176.8	-80.7	-17.5	0	0	0	111.6	L293 S300	L293-D297 PolarHBondContact O-N 2.83Å; D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 PolarHBondContact O-OG 3.01Å
298	L	42.7	Very low	47.9	Very low	69 Å²	69	96.9 Å²	96.9	36%	0.361	54%	0.541	S	S	.	.	H	α-helix	trans	-72.3	-32.9	179.5	-134.6	84.5	0	0	0	113.4	F294 E296	F294-L298 PolarHBondContact O-N 3.01Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.42Å
299	E	46.8	Very low	47.3	Very low	91 Å²	91	99.6 Å²	99.6	43%	0.425	56%	0.562	S	S	.	*	H	α-helix	trans	-74.3	-27.5	175	-76.7	-178.7	-171.9	0	0	112	R295 E296 L302	R295-E299 IonicContact NE-OE1 3.67Å; R295-E299 PolarHBondContact NE-OE1 3.48Å; R295-E299 IonicContact NH2-OE1 3.69Å; R295-E299 WeakPolarHBondContact O-CG 3.18Å; R295-E299 PolarHBondContact O-N 3.22Å; R295-E299 VanDerWaalsContact O-N 3.13Å; E296-E299 PolarHBondContact O-N 3.09Å; E299-L302 PolarHBondContact O-N 3.17Å
300	S	46	Very low	46.5	Very low	69 Å²	69	107 Å²	107	48%	0.483	58%	0.578	S	S	.	*	H	α-helix	trans	-68.5	-34.5	178.7	80.9	0	0	0	0	113.6	E296 D297 L302	E296-S300 WeakPolarHBondContact O-CB 3.43Å; E296-S300 PolarHBondContact O-N 3.5Å; D297-S300 PolarHBondContact O-N 3.22Å; D297-S300 PolarHBondContact O-OG 3.01Å; S300-L302 PolarHBondContact O-N 3.17Å
301	D	44	Very low	45.3	Very low	150 Å²	150	110 Å²	110	80%	0.802	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-6.3	179.4	-97.2	-14.2	0	0	0	113.9
302	L	45	Very low	44.3	Very low	130 Å²	130	118.4 Å²	118.4	68%	0.681	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	9.1	-178.1	-68.7	171.2	0	0	0	114	E299 S300	E299-L302 PolarHBondContact O-N 3.17Å; S300-L302 PolarHBondContact O-N 3.17Å
303	Q	38.4	Very low	43.5	Very low	162 Å²	162	124.9 Å²	124.9	76%	0.757	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-61	128.3	177.9	-72.4	-162.3	-18.5	0	0	111.3
304	P	42.6	Very low	42.5	Very low	111 Å²	111	128 Å²	128	72%	0.721	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-63.6	144.8	177.1	23.1	-29.1	0	0	0	110.2	T306	P304-T306 PolarHBondContact O-N 2.89Å
305	P	40	Very low	41.5	Very low	125 Å²	125	129 Å²	129	81%	0.812	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-56.6	138.3	-178	22.5	-31.9	0	0	0	110.3
306	T	43.4	Very low	41	Very low	129 Å²	129	129.7 Å²	129.7	79%	0.791	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-55.2	134.8	179.4	40.4	0	0	0	0	110.3	P304	P304-T306 PolarHBondContact O-N 2.89Å
307	P	40.5	Very low	40.1	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-63.7	145.2	-179.9	24.6	-31.8	0	0	0	110.2
308	P	42	Very low	40.1	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62	149.2	-178.3	24.3	-32.4	0	0	0	111.3	R310	P308-R310 PolarHBondContact O-N 3.41Å
309	P	41.9	Very low	39.5	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.7	128.8	-176.8	-4.9	12.5	0	0	0	111.1
310	R	42.6	Very low	38.7	Very low	234 Å²	234	137.4 Å²	137.4	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.8	143.3	173.1	-85.9	-176.2	-175	179.1	2.9	110.9	P308	P308-R310 PolarHBondContact O-N 3.41Å
311	P	33.8	Very low	38.3	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.3	137.7	175.4	-6	21.1	0	0	0	110.9	L313	P311-L313 PolarHBondContact O-N 2.82Å
312	H	36.1	Very low	37.7	Very low	188 Å²	188	138.9 Å²	138.9	87%	0.87	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65	122	174.5	-66.7	-82.3	0	0	0	110.8
313	L	35.1	Very low	36.9	Very low	169 Å²	169	141 Å²	141	89%	0.885	81%	0.81	S	S	*	*			trans	-115.8	119.9	162.5	-84.4	162.7	0	0	0	108.8	P311	P311-L313 PolarHBondContact O-N 2.82Å
314	N	34.7	Very low	36.6	Very low	161 Å²	161	141.2 Å²	141.2	86%	0.861	81%	0.811	S	S	*	*			trans	-58.7	127.8	179.5	-73.9	-28.8	0	0	0	111.4
315	A	33.2	Very low	36.2	Very low	100 Å²	100	141.7 Å²	141.7	83%	0.826	81%	0.814	S	S	*	*			trans	-117.3	100.7	162.5	0	0	0	0	0	109.4	R317	A315-R317 PolarHBondContact O-N 3.38Å
316	S	33.8	Very low	35.8	Very low	116 Å²	116	144 Å²	144	81%	0.811	81%	0.814	S	S	*	*			trans	-65.2	111.1	162.1	-50	0	0	0	0	108.8
317	R	30.7	Very low	35.8	Very low	234 Å²	234	143 Å²	143	88%	0.883	81%	0.809	S	S	*	*			trans	19	166.7	136.4	-75.8	-171	-178.3	-170.3	1.4	120.1	A315	A315-R317 PolarHBondContact O-N 3.38Å
318	P	47.9	Very low	35.1	Very low	98 Å²	98	142 Å²	142	64%	0.636	81%	0.806	S	S	*	*			cis	-141.5	173.8	-33.8	37.3	-19.5	0	0	0	112.5
319	N	31.4	Very low	34.5	Very low	161 Å²	161	143.6 Å²	143.6	86%	0.861	81%	0.813	S	S	*	*				-175.8	122.3	130	-89.8	-17.4	0	0	0	110
320	G	28.7	Very low	33.8	Very low	74 Å²	74	141 Å²	141	76%	0.763	81%	0.811	S	S	*	*			trans	-91.7	-145.1	176.3	0	0	0	0	0	112.6
321	P	38.7	Very low	33.2	Very low	133 Å²	133	137.2 Å²	137.2	86%	0.864	81%	0.808	S	S	*	*			cis	-124.8	168.4	-16.9	33.3	-14.3	0	0	0	114.2
322	C	30.4	Very low	33.1	Very low	116 Å²	116	140.6 Å²	140.6	78%	0.784	81%	0.813	S	S	*	*			trans	-59	150.3	171.2	-174.1	0	0	0	0	114.1
323	L	30	Very low	33.1	Very low	174 Å²	174	139.2 Å²	139.2	91%	0.911	81%	0.811	S	S	*	*			trans	-161.6	113.4	152.1	-96.4	163.7	0	0	0	110.7
324	E	30.9	Very low	33	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	81%	0.807	S	S	*	*			trans	-75.2	170.1	148.2	-80.8	-173.1	156.1	0	0	109
325	P	34.9	Very low	33	Very low	120 Å²	120	134.5 Å²	134.5	78%	0.779	81%	0.805	S	S	*	*			cis	-142.1	173.5	22.4	30.3	-4.6	0	0	0	117.1
326	Q	30.4	Very low	33.2	Very low	174 Å²	174	141.2 Å²	141.2	81%	0.813	81%	0.809	S	S	*	*			trans	-60.6	170.9	164.4	-75.5	-95	-15.4	0	0	112.4
327	P	43.6	Very low	33.5	Very low	107 Å²	107	142.6 Å²	142.6	70%	0.695	81%	0.807	S	S	*	*			cis	-145.1	-176.4	18.8	35.6	-11.7	0	0	0	117.2
328	S	26.6	Very low	33.9	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	80%	0.798	S	S	*	*			trans	116.3	126.6	142.1	75.1	0	0	0	0	121.5
329	T	28.2	Very low	33.5	Very low	143 Å²	143	137.9 Å²	137.9	88%	0.877	80%	0.802	S	S	*	*			trans	65	131.1	145.3	51.5	0	0	0	0	123.2
330	G	28.3	Very low	33.8	Very low	77 Å²	77	135.1 Å²	135.1	79%	0.794	79%	0.794	S	S	*	*			trans	134.6	121	144.9	0	0	0	0	0	116.3
331	D	30.6	Very low	34.5	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	79%	0.789	S	S	*	*			trans	-52.5	146	178.3	-63.4	-55.5	0	0	0	116.3
332	H	31.3	Very low	34.7	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.875	77%	0.772	S	S	*	*				176.4	148	123.2	-100.2	-70.2	0	0	0	113.5
333	L	34.9	Very low	35.4	Very low	159 Å²	159	138 Å²	138	83%	0.832	77%	0.769	S	S	*	*			trans	-63.9	154.6	-177.7	-88.6	86.4	0	0	0	116
334	S	33.9	Very low	36.4	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	74%	0.743	S	S	*	*			trans	100.1	141.4	145.2	80.8	0	0	0	0	119.6
335	S	35.3	Very low	37.2	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	73%	0.732	S	S	*	*			trans	82.8	81.4	179	76.8	0	0	0	0	117.8
336	R	37.5	Very low	37.9	Very low	241 Å²	241	127.7 Å²	127.7	91%	0.909	72%	0.716	S	S	*	*			trans	-139.4	81.3	158.9	-100.3	-174.3	166.7	-179.3	-2.5	108.7
337	D	39.3	Very low	39.1	Very low	144 Å²	144	121.6 Å²	121.6	77%	0.77	69%	0.693	S	S	*	*	S	Bend	trans	-144.2	-1.9	163.9	-91.9	-34.2	0	0	0	114.2
338	S	39.9	Very low	39.8	Very low	99 Å²	99	120.9 Å²	120.9	69%	0.692	69%	0.686	S	S	*	*	S	Bend	trans	-100.5	-16.5	-176.2	-52.2	0	0	0	0	115.3
339	D	38.5	Very low	41.4	Very low	135 Å²	135	122.3 Å²	122.3	72%	0.722	68%	0.682	S	S	*	*	H	α-helix	trans	-95.2	-18	-175.1	-78.5	-25.9	0	0	0	114.6
340	C	37.9	Very low	42.7	Very low	103 Å²	103	120.4 Å²	120.4	70%	0.696	67%	0.666	S	S	*	*	H	α-helix	trans	-73	-34.6	178.9	-168.8	0	0	0	0	112	A344	C340-A344 PolarHBondContact O-N 3.42Å
341	H	43	Very low	44.4	Very low	141 Å²	141	125.6 Å²	125.6	65%	0.653	66%	0.662	S	S	*	*	H	α-helix	trans	-72.4	-37.9	-178.7	-89.2	-46.9	0	0	0	113.6	A344 E345	H341-A344 PolarHBondContact O-N 2.92Å; H341-E345 PolarHBondContact O-N 2.98Å
342	N	42.3	Very low	46	Very low	96 Å²	96	124.5 Å²	124.5	51%	0.513	65%	0.65	S	S	.	*	H	α-helix	trans	-71.3	-33	-179.4	-90.3	-35	0	0	0	113.8	N346	N342-N346 WeakPolarHBondContact O-CB 3.34Å; N342-N346 PolarHBondContact O-N 2.82Å; N342-N346 PolarHBondContact O-ND2 3.4Å; N342-N346 VanDerWaalsContact O-ND2 3.15Å
343	M	46.1	Very low	47.5	Very low	146 Å²	146	123.6 Å²	123.6	72%	0.719	64%	0.639	S	S	*	*	H	α-helix	trans	-71.4	-38.7	174.3	-76.9	-105.2	101.9	0	0	111.5	S347	M343-S347 WeakPolarHBondContact O-CB 3.48Å; M343-S347 PolarHBondContact O-N 3.07Å; M343-S347 VanDerWaalsContact O-N 3.11Å
344	A	50.2	Low	48.9	Very low	44 Å²	44	120.8 Å²	120.8	36%	0.364	62%	0.621	S	S	.	*	H	α-helix	trans	-65.8	-46.2	177.7	0	0	0	0	0	111.7	C340 H341 S347 V348	C340-A344 PolarHBondContact O-N 3.42Å; H341-A344 PolarHBondContact O-N 2.92Å; A344-S347 PolarHBondContact O-N 3.36Å; A344-S347 PolarHBondContact O-OG 2.84Å; A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.08Å
345	E	48.1	Very low	50.4	Low	116 Å²	116	122.8 Å²	122.8	54%	0.542	61%	0.611	S	S	.	*	H	α-helix	trans	-64.7	-42	179.6	-75.9	-172	159.3	0	0	113	H341 S347 V348 Q349	H341-E345 PolarHBondContact O-N 2.98Å; E345-S347 VanDerWaalsContact C-N 3.31Å; E345-S347 PolarHBondContact O-N 3.18Å; E345-V348 PolarHBondContact O-N 3.42Å; E345-Q349 WeakPolarHBondContact O-CG 3.48Å; E345-Q349 PolarHBondContact O-N 2.99Å
346	N	49.1	Very low	52	Low	86 Å²	86	122.2 Å²	122.2	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-63.6	-37.5	175.4	-81.7	-37.8	0	0	0	112	N342 V348 Q349 L350	N342-N346 WeakPolarHBondContact O-CB 3.34Å; N342-N346 PolarHBondContact O-N 2.82Å; N342-N346 PolarHBondContact O-ND2 3.4Å; N342-N346 VanDerWaalsContact O-ND2 3.15Å; N346-V348 VanDerWaalsContact C-N 3.35Å; N346-Q349 PolarHBondContact O-N 3.2Å; N346-L350 WeakPolarHBondContact O-CB 3.17Å; N346-L350 PolarHBondContact O-N 2.7Å
347	S	56.3	Low	53.5	Low	46 Å²	46	115.8 Å²	115.8	32%	0.322	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-36.6	175.5	82.2	0	0	0	0	112.5	M343 A344 E345 R351	M343-S347 WeakPolarHBondContact O-CB 3.48Å; M343-S347 PolarHBondContact O-N 3.07Å; M343-S347 VanDerWaalsContact O-N 3.11Å; A344-S347 PolarHBondContact O-N 3.36Å; A344-S347 PolarHBondContact O-OG 2.84Å; E345-S347 VanDerWaalsContact C-N 3.31Å; E345-S347 PolarHBondContact O-N 3.18Å; S347-R351 WeakPolarHBondContact O-CB 3.3Å; S347-R351 VanDerWaalsContact O-CG 3.22Å; S347-R351 WeakPolarHBondContact O-CG 3.24Å; S347-R351 PolarHBondContact O-N 3.37Å
348	V	59	Low	54.9	Low	91 Å²	91	117.6 Å²	117.6	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-70.7	-40.8	177.6	172.3	0	0	0	0	110.8	A344 E345 N346 R351 K352	A344-V348 WeakPolarHBondContact O-CG2 3.43Å; A344-V348 PolarHBondContact O-N 3.08Å; E345-V348 PolarHBondContact O-N 3.42Å; N346-V348 VanDerWaalsContact C-N 3.35Å; V348-R351 PolarHBondContact O-N 3.21Å; V348-K352 WeakPolarHBondContact O-CB 3.48Å; V348-K352 PolarHBondContact O-N 2.84Å
349	Q	59.6	Low	56.4	Low	128 Å²	128	117.7 Å²	117.7	60%	0.598	56%	0.563	S	S	*	*	H	α-helix	trans	-66.8	-40.5	176.2	-70.4	-175.6	7.6	0	0	112.5	E345 N346 K352 R353	E345-Q349 WeakPolarHBondContact O-CG 3.48Å; E345-Q349 PolarHBondContact O-N 2.99Å; N346-Q349 PolarHBondContact O-N 3.2Å; Q349-K352 PolarHBondContact O-N 3.28Å; Q349-R353 WeakPolarHBondContact O-CB 3.47Å; Q349-R353 PolarHBondContact O-N 3.28Å
350	L	56.4	Low	58.1	Low	103 Å²	103	114 Å²	114	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-42.2	173.1	-97.6	142.3	0	0	0	112.3	N346 R353 H354	N346-L350 WeakPolarHBondContact O-CB 3.17Å; N346-L350 PolarHBondContact O-N 2.7Å; L350-R353 PolarHBondContact O-N 3.31Å; L350-H354 PolarHBondContact O-CD2 3.11Å; L350-H354 PolarHBondContact O-N 3.41Å
351	R	63.9	Low	60.2	Low	185 Å²	185	110.5 Å²	110.5	70%	0.698	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-39.4	175.2	-75	173.4	-177.2	-174.9	2.3	112.1	S347 V348 R355	S347-R351 WeakPolarHBondContact O-CB 3.3Å; S347-R351 VanDerWaalsContact O-CG 3.22Å; S347-R351 WeakPolarHBondContact O-CG 3.24Å; S347-R351 PolarHBondContact O-N 3.37Å; V348-R351 PolarHBondContact O-N 3.21Å; R351-R355 WeakPolarHBondContact O-CB 3.44Å; R351-R355 PolarHBondContact O-N 3.23Å
352	K	64	Low	61.6	Low	132 Å²	132	107.9 Å²	107.9	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-62.4	-45.7	175.3	-171.8	179.3	177.6	-176.5	0	111.2	V348 Q349 R355 E356	V348-K352 WeakPolarHBondContact O-CB 3.48Å; V348-K352 PolarHBondContact O-N 2.84Å; Q349-K352 PolarHBondContact O-N 3.28Å; K352-R355 WeakPolarHBondContact O-CB 3.36Å; K352-R355 PolarHBondContact O-N 2.9Å; K352-R355 VanDerWaalsContact O-N 3.15Å; K352-E356 WeakPolarHBondContact CE-OE1 3.31Å; K352-E356 WeakPolarHBondContact O-CG 3.43Å; K352-E356 PolarHBondContact O-N 2.98Å
353	R	62.4	Low	63.2	Low	170 Å²	170	106 Å²	106	64%	0.642	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-43.5	178.4	-165.8	174.6	179.1	166.7	2.5	112.7	Q349 L350 R355 E356 E357	Q349-R353 WeakPolarHBondContact O-CB 3.47Å; Q349-R353 PolarHBondContact O-N 3.28Å; L350-R353 PolarHBondContact O-N 3.31Å; R353-R355 VanDerWaalsContact C-N 3.26Å; R353-R355 PolarHBondContact O-N 3.49Å; R353-E356 PolarHBondContact O-N 3.28Å; R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 2.69Å
354	H	65.1	Low	64.8	Low	100 Å²	100	104.9 Å²	104.9	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-66	-26.1	174	-82.6	-55	0	0	0	113.7	L350 E357 R358	L350-H354 PolarHBondContact O-CD2 3.11Å; L350-H354 PolarHBondContact O-N 3.41Å; H354-E357 IonicContact ND1-OE2 3.72Å; H354-R358 WeakPolarHBondContact O-CB 3.46Å; H354-R358 WeakPolarHBondContact O-CG 3.29Å; H354-R358 PolarHBondContact O-N 2.98Å; H354-R358 PolarHBondContact O-NE 3.07Å
355	R	64.4	Low	66.2	Low	156 Å²	156	109.4 Å²	109.4	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-74.3	-45.1	173.2	-173.5	179.7	179.1	-172.9	-0.2	110.7	R351 K352 R353 E357 R358 I359	R351-R355 WeakPolarHBondContact O-CB 3.44Å; R351-R355 PolarHBondContact O-N 3.23Å; K352-R355 WeakPolarHBondContact O-CB 3.36Å; K352-R355 PolarHBondContact O-N 2.9Å; K352-R355 VanDerWaalsContact O-N 3.15Å; R353-R355 VanDerWaalsContact C-N 3.26Å; R353-R355 PolarHBondContact O-N 3.49Å; R355-E357 PolarHBondContact O-N 3.17Å; R355-R358 PolarHBondContact O-N 3.39Å; R355-I359 HydrophobicContact CG-CD1 4.02Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.37Å; R355-I359 PolarHBondContact O-N 3.37Å
356	E	68.1	Low	67.5	Low	104 Å²	104	106.8 Å²	106.8	49%	0.486	52%	0.521	S	S	.	.	H	α-helix	trans	-62.7	-41.1	177.3	-72.2	171.5	-177.3	0	0	111.9	K352 R353 R358 I359 A360	K352-E356 WeakPolarHBondContact CE-OE1 3.31Å; K352-E356 WeakPolarHBondContact O-CG 3.43Å; K352-E356 PolarHBondContact O-N 2.98Å; R353-E356 PolarHBondContact O-N 3.28Å; E356-R358 PolarHBondContact O-N 3.43Å; E356-I359 PolarHBondContact O-N 3.03Å; E356-A360 WeakPolarHBondContact O-CB 3.4Å; E356-A360 PolarHBondContact O-N 2.99Å
357	E	69.8	Low	68.8	Low	107 Å²	107	108.6 Å²	108.6	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-38.2	173.6	-75.1	174.6	179.6	0	0	112.5	R353 H354 R355 G361	R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 2.69Å; H354-E357 IonicContact ND1-OE2 3.72Å; R355-E357 PolarHBondContact O-N 3.17Å; E357-G361 PolarHBondContact O-N 3.3Å
358	R	68.1	Low	69.9	Low	182 Å²	182	111.3 Å²	111.3	69%	0.687	53%	0.534	S	S	*	.	H	α-helix	trans	-67.6	-39.4	174	-84	-170.9	-87.9	-179.4	-8.9	112.6	H354 R355 E356 T362	H354-R358 WeakPolarHBondContact O-CB 3.46Å; H354-R358 WeakPolarHBondContact O-CG 3.29Å; H354-R358 PolarHBondContact O-N 2.98Å; H354-R358 PolarHBondContact O-NE 3.07Å; R355-R358 PolarHBondContact O-N 3.39Å; E356-R358 PolarHBondContact O-N 3.43Å; R358-T362 WeakPolarHBondContact O-CB 3.31Å; R358-T362 PolarHBondContact O-N 3.46Å; R358-T362 PolarHBondContact O-OG1 3.16Å
359	I	72.7	Confident	70.6	Confident	100 Å²	100	112.1 Å²	112.1	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.4	-69	165.9	0	0	0	109.9	R355 E356 G361 T362 A363	R355-I359 HydrophobicContact CG-CD1 4.02Å; R355-I359 VanDerWaalsContact O-CG1 3.3Å; R355-I359 WeakPolarHBondContact O-CG1 3.37Å; R355-I359 PolarHBondContact O-N 3.37Å; E356-I359 PolarHBondContact O-N 3.03Å; I359-G361 PolarHBondContact O-N 3.47Å; I359-T362 PolarHBondContact O-N 2.98Å; I359-A363 WeakPolarHBondContact O-CB 3.39Å; I359-A363 PolarHBondContact O-N 2.86Å
360	A	73.6	Confident	71.4	Confident	59 Å²	59	112.7 Å²	112.7	49%	0.488	53%	0.534	S	S	.	.	H	α-helix	trans	-61.9	-44.5	177.2	0	0	0	0	0	111.9	E356 T362 A363 Q364	E356-A360 WeakPolarHBondContact O-CB 3.4Å; E356-A360 PolarHBondContact O-N 2.99Å; A360-T362 VanDerWaalsContact C-N 3.33Å; A360-T362 PolarHBondContact O-N 3.02Å; A360-A363 PolarHBondContact O-N 3.17Å; A360-Q364 WeakPolarHBondContact O-CB 3.3Å; A360-Q364 PolarHBondContact O-N 3.27Å
361	G	81.3	Confident	72.5	Confident	29 Å²	29	113.4 Å²	113.4	30%	0.299	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-37.2	175.7	0	0	0	0	0	113.1	E357 I359 K365	E357-G361 PolarHBondContact O-N 3.3Å; I359-G361 PolarHBondContact O-N 3.47Å; G361-K365 WeakPolarHBondContact O-CG 3.48Å; G361-K365 PolarHBondContact O-N 2.83Å; G361-K365 VanDerWaalsContact O-N 3.08Å
362	T	72.8	Confident	73.3	Confident	86 Å²	86	111.9 Å²	111.9	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-70	-43.4	176.1	-55	0	0	0	0	111.1	R358 I359 A360 Q364 K365 V366	R358-T362 WeakPolarHBondContact O-CB 3.31Å; R358-T362 PolarHBondContact O-N 3.46Å; R358-T362 PolarHBondContact O-OG1 3.16Å; I359-T362 PolarHBondContact O-N 2.98Å; A360-T362 VanDerWaalsContact C-N 3.33Å; A360-T362 PolarHBondContact O-N 3.02Å; T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 3.44Å; T362-K365 PolarHBondContact O-N 3.46Å; T362-V366 WeakPolarHBondContact O-CG2 3.47Å; T362-V366 PolarHBondContact O-N 3.49Å
363	A	76.4	Confident	73.6	Confident	56 Å²	56	110.4 Å²	110.4	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-59.9	-41.6	175.5	0	0	0	0	0	111.7	I359 A360 V366 Q367	I359-A363 WeakPolarHBondContact O-CB 3.39Å; I359-A363 PolarHBondContact O-N 2.86Å; A360-A363 PolarHBondContact O-N 3.17Å; A363-V366 PolarHBondContact O-N 3.41Å; A363-Q367 WeakPolarHBondContact O-CB 3.4Å; A363-Q367 PolarHBondContact O-N 3.28Å
364	Q	80.5	Confident	74.6	Confident	123 Å²	123	105.3 Å²	105.3	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-40.9	176.7	-164.4	177.5	5.6	0	0	112.1	A360 T362 Q367 Q368	A360-Q364 WeakPolarHBondContact O-CB 3.3Å; A360-Q364 PolarHBondContact O-N 3.27Å; T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 3.44Å; Q364-Q367 PolarHBondContact O-N 3.31Å; Q364-Q368 WeakPolarHBondContact O-CG 3.45Å; Q364-Q368 PolarHBondContact O-N 2.73Å
365	K	78.4	Confident	75.5	Confident	139 Å²	139	106.4 Å²	106.4	60%	0.604	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-40.5	173.7	-74.6	-179.9	-178.1	-178.5	0	112.3	G361 T362 Q367 Q368 M369	G361-K365 WeakPolarHBondContact O-CG 3.48Å; G361-K365 PolarHBondContact O-N 2.83Å; G361-K365 VanDerWaalsContact O-N 3.08Å; T362-K365 PolarHBondContact O-N 3.46Å; K365-Q367 VanDerWaalsContact C-N 3.34Å; K365-Q368 PolarHBondContact O-N 3.41Å; K365-M369 WeakPolarHBondContact O-CG 3.18Å; K365-M369 PolarHBondContact O-N 2.85Å
366	V	75.6	Confident	76	Confident	61 Å²	61	101.7 Å²	101.7	37%	0.37	52%	0.515	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.1	170.4	0	0	0	0	110.9	T362 A363 M369 K370	T362-V366 WeakPolarHBondContact O-CG2 3.47Å; T362-V366 PolarHBondContact O-N 3.49Å; A363-V366 PolarHBondContact O-N 3.41Å; V366-M369 HydrophobicContact CG2-CE 4.28Å; V366-M369 PolarHBondContact O-N 3.3Å; V366-K370 HydrophobicContact CG1-CD 4.46Å; V366-K370 WeakPolarHBondContact O-CG 3.46Å; V366-K370 PolarHBondContact O-N 3.4Å
367	Q	76.8	Confident	76.5	Confident	124 Å²	124	102 Å²	102	58%	0.579	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-39.7	177.6	-165.5	168.4	-7.8	0	0	112	A363 Q364 K365 K370 Q371	A363-Q367 WeakPolarHBondContact O-CB 3.4Å; A363-Q367 PolarHBondContact O-N 3.28Å; Q364-Q367 PolarHBondContact O-N 3.31Å; K365-Q367 VanDerWaalsContact C-N 3.34Å; Q367-K370 PolarHBondContact O-N 2.87Å; Q367-Q371 WeakPolarHBondContact O-CG 3.48Å; Q367-Q371 PolarHBondContact O-N 2.93Å
368	Q	79.7	Confident	77	Confident	102 Å²	102	103 Å²	103	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-40.4	172.1	-74.5	178.6	-5.6	0	0	112.4	Q364 K365 Q371 K372	Q364-Q368 WeakPolarHBondContact O-CG 3.45Å; Q364-Q368 PolarHBondContact O-N 2.73Å; K365-Q368 PolarHBondContact O-N 3.41Å; Q368-Q371 PolarHBondContact O-N 2.91Å; Q368-K372 WeakPolarHBondContact O-CG 3.28Å; Q368-K372 PolarHBondContact O-N 3.24Å
369	M	73.9	Confident	77.5	Confident	109 Å²	109	101.7 Å²	101.7	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175	-78.3	-172.9	-79.3	0	0	112	K365 V366 Q371 K372 L373	K365-M369 WeakPolarHBondContact O-CG 3.18Å; K365-M369 PolarHBondContact O-N 2.85Å; V366-M369 HydrophobicContact CG2-CE 4.28Å; V366-M369 PolarHBondContact O-N 3.3Å; M369-Q371 VanDerWaalsContact C-N 3.33Å; M369-Q371 PolarHBondContact O-N 3.26Å; M369-K372 PolarHBondContact O-N 2.86Å; M369-L373 PolarHBondContact O-N 2.99Å
370	K	75.9	Confident	77.8	Confident	140 Å²	140	102.4 Å²	102.4	61%	0.609	52%	0.52	S	S	*	.	H	α-helix	trans	-60.6	-41.3	174.6	-75.2	-177.4	177.8	-174.5	0	112	V366 Q367 L373 T374	V366-K370 HydrophobicContact CG1-CD 4.46Å; V366-K370 WeakPolarHBondContact O-CG 3.46Å; V366-K370 PolarHBondContact O-N 3.4Å; Q367-K370 PolarHBondContact O-N 2.87Å; K370-L373 PolarHBondContact O-N 3.46Å; K370-T374 WeakPolarHBondContact O-CB 3.21Å; K370-T374 PolarHBondContact O-N 2.71Å; K370-T374 PolarHBondContact O-OG1 3.42Å
371	Q	79.2	Confident	78.1	Confident	117 Å²	117	105.9 Å²	105.9	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-44.9	175	-75.9	176.8	-18.4	0	0	111.8	Q367 Q368 M369 L373 T374 E375	Q367-Q371 WeakPolarHBondContact O-CG 3.48Å; Q367-Q371 PolarHBondContact O-N 2.93Å; Q368-Q371 PolarHBondContact O-N 2.91Å; M369-Q371 VanDerWaalsContact C-N 3.33Å; M369-Q371 PolarHBondContact O-N 3.26Å; Q371-L373 PolarHBondContact O-N 2.78Å; Q371-T374 PolarHBondContact O-N 3.43Å; Q371-E375 WeakPolarHBondContact O-CG 3.45Å; Q371-E375 PolarHBondContact O-N 3.13Å
372	K	80.4	Confident	78	Confident	153 Å²	153	111.3 Å²	111.3	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-62.6	-40.2	176.2	-73.8	-175.9	179.3	-176.1	0	113	Q368 M369 E375 S376	Q368-K372 WeakPolarHBondContact O-CG 3.28Å; Q368-K372 PolarHBondContact O-N 3.24Å; M369-K372 PolarHBondContact O-N 2.86Å; K372-E375 PolarHBondContact O-N 3.35Å; K372-S376 PolarHBondContact O-N 3.29Å; K372-S376 PolarHBondContact O-OG 3.39Å
373	L	69.8	Low	78.1	Confident	101 Å²	101	114 Å²	114	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-61.4	-48	174	-85.4	154.2	0	0	0	110.8	M369 K370 Q371 E375 S376 E377	M369-L373 PolarHBondContact O-N 2.99Å; K370-L373 PolarHBondContact O-N 3.46Å; Q371-L373 PolarHBondContact O-N 2.78Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 2.91Å; L373-S376 WeakPolarHBondContact CA-OG 3.28Å; L373-S376 PolarHBondContact O-N 3.26Å; L373-S376 PolarHBondContact O-OG 3.32Å; L373-E377 WeakPolarHBondContact O-CG 3.39Å; L373-E377 PolarHBondContact O-N 3.37Å
374	T	84.4	Confident	78.2	Confident	64 Å²	64	116.7 Å²	116.7	39%	0.393	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-38.4	177.8	-48.3	0	0	0	0	111.8	K370 Q371 K378	K370-T374 WeakPolarHBondContact O-CB 3.21Å; K370-T374 PolarHBondContact O-N 2.71Å; K370-T374 PolarHBondContact O-OG1 3.42Å; Q371-T374 PolarHBondContact O-N 3.43Å; T374-K378 WeakPolarHBondContact O-CG 3.31Å; T374-K378 PolarHBondContact O-N 3Å
375	E	82.8	Confident	78.2	Confident	123 Å²	123	118.8 Å²	118.8	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-67.8	-38.2	173.7	-76.1	-175.2	174	0	0	112.8	Q371 K372 L373 K378 K379	Q371-E375 WeakPolarHBondContact O-CG 3.45Å; Q371-E375 PolarHBondContact O-N 3.13Å; K372-E375 PolarHBondContact O-N 3.35Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 2.91Å; E375-K378 PolarHBondContact O-N 2.77Å; E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 2.73Å
376	S	76.2	Confident	78.2	Confident	56 Å²	56	118.9 Å²	118.9	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-40	175.6	65.8	0	0	0	0	112.3	K372 L373 K379 Q380	K372-S376 PolarHBondContact O-N 3.29Å; K372-S376 PolarHBondContact O-OG 3.39Å; L373-S376 WeakPolarHBondContact CA-OG 3.28Å; L373-S376 PolarHBondContact O-N 3.26Å; L373-S376 PolarHBondContact O-OG 3.32Å; S376-K379 PolarHBondContact O-N 3.43Å; S376-Q380 WeakPolarHBondContact O-CB 3.37Å; S376-Q380 PolarHBondContact O-N 3.11Å
377	E	79.1	Confident	78.5	Confident	111 Å²	111	122.1 Å²	122.1	52%	0.519	55%	0.551	S	S	.	*	H	α-helix	trans	-62.7	-47.6	174.6	-72.6	172.6	160.1	0	0	110.7	L373 K379 Q380 E381	L373-E377 WeakPolarHBondContact O-CG 3.39Å; L373-E377 PolarHBondContact O-N 3.37Å; E377-K379 VanDerWaalsContact C-N 3.29Å; E377-K379 PolarHBondContact O-N 3.43Å; E377-Q380 PolarHBondContact O-N 3.49Å; E377-Q380 VanDerWaalsContact O-N 3.1Å; E377-E381 WeakPolarHBondContact O-CG 3.05Å; E377-E381 PolarHBondContact O-N 3.39Å
378	K	80.5	Confident	78.4	Confident	129 Å²	129	119.7 Å²	119.7	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-60.3	-36	174.7	-74.7	178.3	180	179.8	0	113.1	T374 E375 K382	T374-K378 WeakPolarHBondContact O-CG 3.31Å; T374-K378 PolarHBondContact O-N 3Å; E375-K378 PolarHBondContact O-N 2.77Å; K378-K382 WeakPolarHBondContact O-CB 3.32Å; K378-K382 WeakPolarHBondContact O-CG 3.44Å; K378-K382 PolarHBondContact O-N 2.96Å; K378-K382 VanDerWaalsContact O-N 3.09Å
379	K	77.6	Confident	78.4	Confident	153 Å²	153	118 Å²	118	67%	0.665	54%	0.542	S	S	*	.	H	α-helix	trans	-69.2	-39.9	174.3	-80.2	-178.4	-178.9	177.3	0	111.5	E375 S376 E377 K382 W383	E375-K379 WeakPolarHBondContact O-CG 3.49Å; E375-K379 PolarHBondContact O-N 2.73Å; S376-K379 PolarHBondContact O-N 3.43Å; E377-K379 VanDerWaalsContact C-N 3.29Å; E377-K379 PolarHBondContact O-N 3.43Å; K379-K382 PolarHBondContact O-N 3.46Å; K379-W383 WeakPolarHBondContact O-CB 3.17Å; K379-W383 PolarHBondContact O-N 3.42Å
380	Q	79.1	Confident	78.5	Confident	116 Å²	116	118.3 Å²	118.3	54%	0.542	55%	0.545	S	S	.	.	H	α-helix	trans	-67.5	-42.6	178.1	-173	175.2	-9	0	0	111.7	S376 E377 W383 Q384	S376-Q380 WeakPolarHBondContact O-CB 3.37Å; S376-Q380 PolarHBondContact O-N 3.11Å; E377-Q380 PolarHBondContact O-N 3.49Å; E377-Q380 VanDerWaalsContact O-N 3.1Å; Q380-W383 PolarHBondContact O-N 3.32Å; Q380-Q384 WeakPolarHBondContact O-CG 3.04Å; Q380-Q384 PolarHBondContact O-N 3.15Å
381	E	79.9	Confident	78.5	Confident	131 Å²	131	116.8 Å²	116.8	61%	0.612	54%	0.543	S	S	*	.	H	α-helix	trans	-61.4	-46.7	173.2	-73.7	-176.8	158.9	0	0	111.7	E377 W383 Q384 Y385	E377-E381 WeakPolarHBondContact O-CG 3.05Å; E377-E381 PolarHBondContact O-N 3.39Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.4Å; E381-Q384 PolarHBondContact O-N 3.41Å; E381-Y385 WeakPolarHBondContact O-CB 3.29Å; E381-Y385 PolarHBondContact O-N 3.32Å
382	K	79.3	Confident	78.3	Confident	143 Å²	143	115 Å²	115	62%	0.622	54%	0.544	S	S	*	.	H	α-helix	trans	-57.4	-45.5	173	-80.6	-178.7	177.9	-176.1	0	111.1	K378 K379 Y385 W386	K378-K382 WeakPolarHBondContact O-CB 3.32Å; K378-K382 WeakPolarHBondContact O-CG 3.44Å; K378-K382 PolarHBondContact O-N 2.96Å; K378-K382 VanDerWaalsContact O-N 3.09Å; K379-K382 PolarHBondContact O-N 3.46Å; K382-Y385 PolarHBondContact O-N 2.73Å; K382-W386 PolarHBondContact O-N 2.87Å
383	W	74.6	Confident	78.2	Confident	142 Å²	142	112.6 Å²	112.6	54%	0.538	54%	0.542	S	S	.	.	H	α-helix	trans	-63.1	-43.3	179.1	-174.3	82.2	0	0	0	111.9	K379 Q380 E381 Y385 W386 R387	K379-W383 WeakPolarHBondContact O-CB 3.17Å; K379-W383 PolarHBondContact O-N 3.42Å; Q380-W383 PolarHBondContact O-N 3.32Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.4Å; W383-Y385 VanDerWaalsContact C-N 3.3Å; W383-Y385 PolarHBondContact O-N 3.43Å; W383-W386 PolarHBondContact O-N 2.88Å; W383-R387 VanDerWaalsContact CH2-CD 3.47Å; W383-R387 HydrophobicContact CH2-CG 4.44Å; W383-R387 HydrophobicContact CZ2-CG 4.42Å; W383-R387 WeakPolarHBondContact O-CB 3.39Å; W383-R387 PolarHBondContact O-N 3.27Å
384	Q	77.6	Confident	78.3	Confident	114 Å²	114	109.8 Å²	109.8	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-62.2	-37.2	175.3	-74.5	-176.8	-6.8	0	0	112.5	Q380 E381 P388	Q380-Q384 WeakPolarHBondContact O-CG 3.04Å; Q380-Q384 PolarHBondContact O-N 3.15Å; E381-Q384 PolarHBondContact O-N 3.41Å; Q384-P388 WeakPolarHBondContact O-CD 3.35Å
385	Y	81.2	Confident	77.7	Confident	167 Å²	167	110 Å²	110	66%	0.655	54%	0.541	S	S	*	.	H	α-helix	trans	-66.7	-44.3	175	-178.7	-94.6	0	0	0	112.6	E381 K382 W383 P388	E381-Y385 WeakPolarHBondContact O-CB 3.29Å; E381-Y385 PolarHBondContact O-N 3.32Å; K382-Y385 PolarHBondContact O-N 2.73Å; W383-Y385 VanDerWaalsContact C-N 3.3Å; W383-Y385 PolarHBondContact O-N 3.43Å; Y385-P388 WeakPolarHBondContact O-CD 3.35Å
386	W	79.5	Confident	77.3	Confident	141 Å²	141	106.1 Å²	106.1	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-83	-22.5	-177.5	-73.6	103.6	0	0	0	114.2	K382 W383 V389 L390	K382-W386 PolarHBondContact O-N 2.87Å; W383-W386 PolarHBondContact O-N 2.88Å; W386-V389 HydrophobicContact CE3-CB 4.36Å; W386-V389 HydrophobicContact CE3-CG1 4.3Å; W386-V389 HydrophobicContact CZ3-CG1 4.42Å; W386-V389 WeakPolarHBondContact O-CB 3.5Å; W386-V389 PolarHBondContact O-N 3.41Å; W386-V389 VanDerWaalsContact O-N 3.14Å; W386-L390 HydrophobicContact CB-CD1 4.33Å; W386-L390 WeakPolarHBondContact O-CG 3.43Å; W386-L390 PolarHBondContact O-N 2.91Å
387	R	81	Confident	77.2	Confident	128 Å²	128	106 Å²	106	48%	0.483	54%	0.537	S	S	.	.	H	α-helix	trans	-53.4	-50.5	-179.5	-177.3	180	-174.9	-169.2	-0.6	113.8	W383 V389 L390 L391	W383-R387 VanDerWaalsContact CH2-CD 3.47Å; W383-R387 HydrophobicContact CH2-CG 4.44Å; W383-R387 HydrophobicContact CZ2-CG 4.42Å; W383-R387 WeakPolarHBondContact O-CB 3.39Å; W383-R387 PolarHBondContact O-N 3.27Å; R387-V389 VanDerWaalsContact C-N 3.31Å; R387-V389 PolarHBondContact O-N 3.41Å; R387-L390 PolarHBondContact O-N 3.38Å; R387-L391 HydrophobicContact CG-CD1 3.95Å; R387-L391 WeakPolarHBondContact O-CB 3.25Å; R387-L391 VanDerWaalsContact O-CG 3.28Å; R387-L391 WeakPolarHBondContact O-CG 3.4Å; R387-L391 PolarHBondContact O-N 2.98Å
388	P	74.6	Confident	77	Confident	73 Å²	73	103.5 Å²	103.5	47%	0.474	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-33.1	177.7	23.6	-32.1	0	0	0	112.6	Q384 Y385 S392	Q384-P388 WeakPolarHBondContact O-CD 3.35Å; Y385-P388 WeakPolarHBondContact O-CD 3.35Å; P388-S392 WeakPolarHBondContact O-CB 3.48Å; P388-S392 PolarHBondContact O-N 3.43Å; P388-S392 PolarHBondContact O-OG 3.29Å
389	V	80.8	Confident	76.8	Confident	67 Å²	67	102.9 Å²	102.9	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-48	177.1	-178.9	0	0	0	0	110.8	W386 R387 L391 S392 V393	W386-V389 HydrophobicContact CE3-CB 4.36Å; W386-V389 HydrophobicContact CE3-CG1 4.3Å; W386-V389 HydrophobicContact CZ3-CG1 4.42Å; W386-V389 WeakPolarHBondContact O-CB 3.5Å; W386-V389 PolarHBondContact O-N 3.41Å; W386-V389 VanDerWaalsContact O-N 3.14Å; R387-V389 VanDerWaalsContact C-N 3.31Å; R387-V389 PolarHBondContact O-N 3.41Å; V389-L391 PolarHBondContact O-N 3.38Å; V389-S392 PolarHBondContact O-N 2.93Å; V389-V393 WeakPolarHBondContact O-CG2 3.23Å; V389-V393 PolarHBondContact O-N 3.24Å
390	L	75.4	Confident	76.8	Confident	115 Å²	115	98 Å²	98	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-41.3	178.1	-74.5	166.5	0	0	0	112.2	W386 R387 S392 G394	W386-L390 HydrophobicContact CB-CD1 4.33Å; W386-L390 WeakPolarHBondContact O-CG 3.43Å; W386-L390 PolarHBondContact O-N 2.91Å; R387-L390 PolarHBondContact O-N 3.38Å; L390-S392 VanDerWaalsContact C-N 3.34Å; L390-G394 PolarHBondContact O-N 3.24Å
391	L	75.4	Confident	76.9	Confident	108 Å²	108	96.5 Å²	96.5	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-65.5	-37	176.3	-72.6	169.5	0	0	0	112.2	R387 V389 S395	R387-L391 HydrophobicContact CG-CD1 3.95Å; R387-L391 WeakPolarHBondContact O-CB 3.25Å; R387-L391 VanDerWaalsContact O-CG 3.28Å; R387-L391 WeakPolarHBondContact O-CG 3.4Å; R387-L391 PolarHBondContact O-N 2.98Å; V389-L391 PolarHBondContact O-N 3.38Å; L391-S395 WeakPolarHBondContact O-CB 3.43Å; L391-S395 PolarHBondContact O-N 3.04Å; L391-S395 PolarHBondContact O-OG 3.04Å
392	S	74.9	Confident	76.7	Confident	81 Å²	81	94.3 Å²	94.3	57%	0.566	52%	0.52	S	S	*	.	H	α-helix	trans	-69.8	-42.8	178.3	-57.7	0	0	0	0	112	P388 V389 L390 S395 G396	P388-S392 WeakPolarHBondContact O-CB 3.48Å; P388-S392 PolarHBondContact O-N 3.43Å; P388-S392 PolarHBondContact O-OG 3.29Å; V389-S392 PolarHBondContact O-N 2.93Å; L390-S392 VanDerWaalsContact C-N 3.34Å; S392-S395 PolarHBondContact O-N 3.29Å; S392-G396 PolarHBondContact O-N 3.24Å
393	V	78.3	Confident	76.8	Confident	101 Å²	101	91.1 Å²	91.1	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-42.6	175.7	174.3	0	0	0	0	111.1	V389 G396 A397	V389-V393 WeakPolarHBondContact O-CG2 3.23Å; V389-V393 PolarHBondContact O-N 3.24Å; V393-G396 PolarHBondContact O-N 2.9Å; V393-A397 PolarHBondContact O-N 3.35Å
394	G	71.6	Confident	77	Confident	42 Å²	42	90 Å²	90	43%	0.433	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-41.4	176.2	0	0	0	0	0	113.1	L390 A397 A398	L390-G394 PolarHBondContact O-N 3.24Å; G394-A397 PolarHBondContact O-N 3.47Å; G394-A398 PolarHBondContact O-N 3.16Å; G394-A398 VanDerWaalsContact O-N 3.07Å
395	S	72.7	Confident	76.9	Confident	69 Å²	69	87.6 Å²	87.6	48%	0.483	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-40.2	177.2	-55.4	0	0	0	0	111.9	L391 S392 A398 L399	L391-S395 WeakPolarHBondContact O-CB 3.43Å; L391-S395 PolarHBondContact O-N 3.04Å; L391-S395 PolarHBondContact O-OG 3.04Å; S392-S395 PolarHBondContact O-N 3.29Å; S395-A398 PolarHBondContact O-N 3.04Å; S395-L399 WeakPolarHBondContact O-CG 3.49Å; S395-L399 PolarHBondContact O-N 3.26Å; S395-L399 VanDerWaalsContact O-N 3.08Å
396	G	73.7	Confident	76.7	Confident	41 Å²	41	87.4 Å²	87.4	42%	0.423	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-40.7	175.3	0	0	0	0	0	113.1	S392 V393 L399 A400	S392-G396 PolarHBondContact O-N 3.24Å; V393-G396 PolarHBondContact O-N 2.9Å; G396-L399 PolarHBondContact O-N 3.37Å; G396-A400 WeakPolarHBondContact O-CB 3.03Å; G396-A400 PolarHBondContact O-N 3.49Å
397	A	75.1	Confident	76.4	Confident	55 Å²	55	86.5 Å²	86.5	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-41	176.3	0	0	0	0	0	112.3	V393 G394 L399 A400 V401	V393-A397 PolarHBondContact O-N 3.35Å; G394-A397 PolarHBondContact O-N 3.47Å; A397-L399 VanDerWaalsContact C-N 3.35Å; A397-L399 PolarHBondContact O-N 3.26Å; A397-A400 PolarHBondContact O-N 3.04Å; A397-V401 WeakPolarHBondContact O-CG2 3.5Å; A397-V401 PolarHBondContact O-N 3.01Å
398	A	74.8	Confident	76.1	Confident	58 Å²	58	89.6 Å²	89.6	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-64.2	-38.7	176.5	0	0	0	0	0	112.5	G394 S395 T402	G394-A398 PolarHBondContact O-N 3.16Å; G394-A398 VanDerWaalsContact O-N 3.07Å; S395-A398 PolarHBondContact O-N 3.04Å; A398-T402 WeakPolarHBondContact O-CG2 3.49Å; A398-T402 PolarHBondContact O-N 3.39Å; A398-T402 PolarHBondContact O-OG1 3.31Å
399	L	76.8	Confident	75.9	Confident	115 Å²	115	94.7 Å²	94.7	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-66.7	-41.6	173.9	-75.6	169.5	0	0	0	112.1	S395 G396 A397 V401 T402 V403	S395-L399 WeakPolarHBondContact O-CG 3.49Å; S395-L399 PolarHBondContact O-N 3.26Å; S395-L399 VanDerWaalsContact O-N 3.08Å; G396-L399 PolarHBondContact O-N 3.37Å; A397-L399 VanDerWaalsContact C-N 3.35Å; A397-L399 PolarHBondContact O-N 3.26Å; L399-V401 PolarHBondContact O-N 3.25Å; L399-T402 VanDerWaalsContact CA-OG1 3.28Å; L399-T402 WeakPolarHBondContact CA-OG1 3.07Å; L399-T402 PolarHBondContact O-N 3.23Å; L399-T402 PolarHBondContact O-OG1 3.43Å; L399-V403 WeakPolarHBondContact O-CB 3.35Å; L399-V403 VanDerWaalsContact O-CG2 3.27Å; L399-V403 WeakPolarHBondContact O-CG2 3.11Å; L399-V403 PolarHBondContact O-N 2.75Å
400	A	76.4	Confident	74.8	Confident	50 Å²	50	100.7 Å²	100.7	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-63.5	-42.4	176.5	0	0	0	0	0	112	G396 A397 V403 L404	G396-A400 WeakPolarHBondContact O-CB 3.03Å; G396-A400 PolarHBondContact O-N 3.49Å; A397-A400 PolarHBondContact O-N 3.04Å; A400-V403 PolarHBondContact O-N 3.4Å; A400-L404 WeakPolarHBondContact O-CB 3.41Å; A400-L404 VanDerWaalsContact O-CG 3.24Å; A400-L404 WeakPolarHBondContact O-CG 3.49Å; A400-L404 PolarHBondContact O-N 3.15Å
401	V	80.9	Confident	74.7	Confident	86 Å²	86	100 Å²	100	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-65.2	-42.4	176.9	171.3	0	0	0	0	111.4	A397 L399 L404 C405	A397-V401 WeakPolarHBondContact O-CG2 3.5Å; A397-V401 PolarHBondContact O-N 3.01Å; L399-V401 PolarHBondContact O-N 3.25Å; V401-L404 PolarHBondContact O-N 3.2Å; V401-C405 WeakPolarHBondContact O-CB 3.41Å; V401-C405 PolarHBondContact O-N 3.29Å; V401-C405 PolarHBondContact O-SG 3.44Å
402	T	76.9	Confident	74.7	Confident	84 Å²	84	99.5 Å²	99.5	52%	0.515	56%	0.562	S	S	.	*	H	α-helix	trans	-66.6	-38.1	177.9	42.5	0	0	0	0	112.5	A398 L399 W406	A398-T402 WeakPolarHBondContact O-CG2 3.49Å; A398-T402 PolarHBondContact O-N 3.39Å; A398-T402 PolarHBondContact O-OG1 3.31Å; L399-T402 VanDerWaalsContact CA-OG1 3.28Å; L399-T402 WeakPolarHBondContact CA-OG1 3.07Å; L399-T402 PolarHBondContact O-N 3.23Å; L399-T402 PolarHBondContact O-OG1 3.43Å; T402-W406 WeakPolarHBondContact O-CB 3.1Å; T402-W406 PolarHBondContact O-N 3.06Å
403	V	80	Confident	74.7	Confident	77 Å²	77	100.6 Å²	100.6	47%	0.467	56%	0.562	S	S	.	*	H	α-helix	trans	-66.6	-43.7	173.4	172	0	0	0	0	111.3	L399 A400 W406 M407	L399-V403 WeakPolarHBondContact O-CB 3.35Å; L399-V403 VanDerWaalsContact O-CG2 3.27Å; L399-V403 WeakPolarHBondContact O-CG2 3.11Å; L399-V403 PolarHBondContact O-N 2.75Å; A400-V403 PolarHBondContact O-N 3.4Å; V403-W406 PolarHBondContact O-N 3.33Å; V403-M407 HydrophobicContact CG1-SD 4.23Å; V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 2.99Å
404	L	78.6	Confident	74.5	Confident	118 Å²	118	100.5 Å²	100.5	62%	0.618	56%	0.559	S	S	*	*	H	α-helix	trans	-63.5	-41.5	176.5	-75.1	169.3	0	0	0	112	A400 V401 M407 Y408	A400-L404 WeakPolarHBondContact O-CB 3.41Å; A400-L404 VanDerWaalsContact O-CG 3.24Å; A400-L404 WeakPolarHBondContact O-CG 3.49Å; A400-L404 PolarHBondContact O-N 3.15Å; V401-L404 PolarHBondContact O-N 3.2Å; L404-M407 PolarHBondContact O-N 2.93Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.67Å; L404-Y408 VanDerWaalsContact O-N 3.08Å
405	C	76.4	Confident	74.6	Confident	63 Å²	63	104.2 Å²	104.2	43%	0.426	57%	0.567	S	S	.	*	H	α-helix	trans	-63.3	-44.1	173.2	-74.1	0	0	0	0	111.2	V401 M407 Y408 F409	V401-C405 WeakPolarHBondContact O-CB 3.41Å; V401-C405 PolarHBondContact O-N 3.29Å; V401-C405 PolarHBondContact O-SG 3.44Å; C405-M407 VanDerWaalsContact C-N 3.34Å; C405-M407 PolarHBondContact O-N 2.67Å; C405-Y408 PolarHBondContact O-N 2.92Å; C405-F409 VanDerWaalsContact O-CD2 3.28Å; C405-F409 WeakPolarHBondContact O-CD2 3.31Å; C405-F409 PolarHBondContact O-N 3.49Å
406	W	76.9	Confident	74.8	Confident	163 Å²	163	106.5 Å²	106.5	62%	0.617	57%	0.572	S	S	*	*	H	α-helix	trans	-61.8	-41.1	178.1	-177.9	66	0	0	0	112.5	T402 V403 Y408 F409 Q410	T402-W406 WeakPolarHBondContact O-CB 3.1Å; T402-W406 PolarHBondContact O-N 3.06Å; V403-W406 PolarHBondContact O-N 3.33Å; W406-Y408 VanDerWaalsContact C-N 3.31Å; W406-Y408 PolarHBondContact O-N 3.01Å; W406-F409 PolarHBondContact O-N 3.3Å; W406-Q410 PolarHBondContact O-N 2.96Å
407	M	74.5	Confident	74.9	Confident	122 Å²	122	111.2 Å²	111.2	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-68.3	-26.2	175.7	-71.3	-176.9	71.3	0	0	113.8	V403 L404 C405	V403-M407 HydrophobicContact CG1-SD 4.23Å; V403-M407 WeakPolarHBondContact O-CG 3.48Å; V403-M407 PolarHBondContact O-N 2.99Å; L404-M407 PolarHBondContact O-N 2.93Å; C405-M407 VanDerWaalsContact C-N 3.34Å; C405-M407 PolarHBondContact O-N 2.67Å
408	Y	73.8	Confident	74.8	Confident	194 Å²	194	115.5 Å²	115.5	76%	0.761	59%	0.593	S	S	*	*	H	α-helix	trans	-81.2	-18.7	179	-164.2	-91.8	0	0	0	113	L404 C405 W406	L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 PolarHBondContact O-N 2.67Å; L404-Y408 VanDerWaalsContact O-N 3.08Å; C405-Y408 PolarHBondContact O-N 2.92Å; W406-Y408 VanDerWaalsContact C-N 3.31Å; W406-Y408 PolarHBondContact O-N 3.01Å
409	F	70.6	Confident	74.8	Confident	180 Å²	180	120.3 Å²	120.3	79%	0.789	60%	0.602	S	S	*	*			trans	-105.6	8	-178.8	-78.9	-74.7	0	0	0	114	C405 W406	C405-F409 VanDerWaalsContact O-CD2 3.28Å; C405-F409 WeakPolarHBondContact O-CD2 3.31Å; C405-F409 PolarHBondContact O-N 3.49Å; W406-F409 PolarHBondContact O-N 3.3Å
410	Q	56.4	Low	74.7	Confident	192 Å²	192	120.8 Å²	120.8	90%	0.897	60%	0.602	S	S	*	*			trans	-100.9	0	160.9	-78.3	-164.5	-14	0	0	109.7	W406	W406-Q410 PolarHBondContact O-N 2.96Å

Retrieved 410 of 410 residues in 116.1 ms (Link to these results)

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