G4VMT8_SCHMA Loading...

Putative cop-coated vesicle membrane protein P24 (Emp24/gp25l family)

AlphaFold DB , UniProt , Accession G4VMT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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	78.7	Confident	88.7	Confident	188 Å²	188	111.5 Å²	111.5	93%	0.926	60%	0.604	S	S	*	*				0	-56.7	0	-156.8	169.8	75.3	0	0	112	L3 V4 L5	M1-L3 PolarHBondContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.35Å; M1-V4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.27Å
2	I	89.9	Confident	88.3	Confident	132 Å²	132	113.3 Å²	113.3	68%	0.677	61%	0.605	S	S	*	*	H	α-helix	trans	-55.5	-45	178	-63.3	169.2	0	0	0	112.7	V4 L5 C6	I2-V4 VanDerWaalsContact C-N 3.28Å; I2-V4 PolarHBondContact O-N 2.96Å; I2-L5 PolarHBondContact O-N 3.43Å; I2-C6 PolarHBondContact O-N 3.28Å; I2-C6 PolarHBondContact O-SG 3.05Å
3	L	90.7	Very high	87.5	Confident	131 Å²	131	117.4 Å²	117.4	69%	0.686	62%	0.618	S	S	*	*	H	α-helix	trans	-56.9	-39.8	177.4	-174.4	71.7	0	0	0	112.9	M1 C6 I7	M1-L3 PolarHBondContact O-N 3.11Å; L3-C6 PolarHBondContact O-N 3Å; L3-I7 HydrophobicContact CG-CD1 4.15Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.28Å; L3-I7 PolarHBondContact O-N 3.39Å
4	V	91.5	Very high	86.6	Confident	100 Å²	100	115.4 Å²	115.4	61%	0.606	63%	0.626	S	S	*	*	H	α-helix	trans	-68.3	-40.7	-179.7	179	0	0	0	0	110.6	M1 I2 I7 F8	M1-V4 PolarHBondContact O-N 3.35Å; M1-V4 VanDerWaalsContact O-N 3.11Å; I2-V4 VanDerWaalsContact C-N 3.28Å; I2-V4 PolarHBondContact O-N 2.96Å; V4-I7 PolarHBondContact O-N 3.15Å; V4-F8 PolarHBondContact O-N 3.22Å
5	L	91.5	Very high	85.8	Confident	111 Å²	111	114.7 Å²	114.7	58%	0.581	63%	0.633	S	S	*	*	H	α-helix	trans	-64.8	-40.6	175.2	-67.8	172.1	0	0	0	111.9	M1 I2 F8 A9	M1-L5 PolarHBondContact O-N 3.27Å; I2-L5 PolarHBondContact O-N 3.43Å; L5-F8 PolarHBondContact O-N 3.17Å; L5-A9 WeakPolarHBondContact O-CB 3.18Å; L5-A9 PolarHBondContact O-N 3.23Å
6	C	91.3	Very high	85.2	Confident	65 Å²	65	112.1 Å²	112.1	44%	0.439	64%	0.641	S	S	.	*	H	α-helix	trans	-62.8	-43	174.7	-68.8	0	0	0	0	112	I2 L3 F8 A9 I10	I2-C6 PolarHBondContact O-N 3.28Å; I2-C6 PolarHBondContact O-SG 3.05Å; L3-C6 PolarHBondContact O-N 3Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 2.93Å; C6-A9 PolarHBondContact O-N 3.35Å; C6-I10 WeakPolarHBondContact O-CD1 3.44Å; C6-I10 VanDerWaalsContact O-CG1 3.23Å; C6-I10 WeakPolarHBondContact O-CG1 2.96Å; C6-I10 PolarHBondContact O-N 2.96Å
7	I	89.9	Confident	85.1	Confident	94 Å²	94	110.4 Å²	110.4	48%	0.482	63%	0.63	S	S	.	*	H	α-helix	trans	-61.1	-46.1	176	-68.3	164.8	0	0	0	110.2	L3 V4 A9 I10 V11	L3-I7 HydrophobicContact CG-CD1 4.15Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.28Å; L3-I7 PolarHBondContact O-N 3.39Å; V4-I7 PolarHBondContact O-N 3.15Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.26Å; I7-I10 PolarHBondContact O-N 3.24Å; I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 VanDerWaalsContact O-CG2 3.27Å; I7-V11 WeakPolarHBondContact O-CG2 3.11Å; I7-V11 PolarHBondContact O-N 3.32Å
8	F	89.5	Confident	85.3	Confident	134 Å²	134	107.9 Å²	107.9	59%	0.588	62%	0.62	S	S	*	*	H	α-helix	trans	-61.8	-41.7	179	-162.1	-103.6	0	0	0	112.1	V4 L5 C6 V11 H12	V4-F8 PolarHBondContact O-N 3.22Å; L5-F8 PolarHBondContact O-N 3.17Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 2.93Å; F8-V11 PolarHBondContact O-N 3.48Å; F8-H12 AromaticContact CD1-CD2 3.53Å; F8-H12 AromaticContact CD1-NE2 3.81Å; F8-H12 AromaticContact CE1-CD2 3.28Å; F8-H12 WeakPolarHBondContact CE1-CD2 3.23Å; F8-H12 AromaticContact CE1-NE2 3.04Å; F8-H12 WeakPolarHBondContact CE1-NE2 3.44Å; F8-H12 AromaticContact CZ-CD2 3.74Å; F8-H12 AromaticContact CZ-NE2 3.16Å; F8-H12 WeakPolarHBondContact CZ-NE2 3.27Å; F8-H12 PolarHBondContact O-CD2 3.49Å; F8-H12 PolarHBondContact O-N 3.32Å
9	A	88.8	Confident	85.7	Confident	54 Å²	54	106.6 Å²	106.6	45%	0.446	61%	0.61	S	S	.	*	H	α-helix	trans	-64.2	-40.2	175.6	0	0	0	0	0	112.7	L5 C6 I7 H12	L5-A9 WeakPolarHBondContact O-CB 3.18Å; L5-A9 PolarHBondContact O-N 3.23Å; C6-A9 PolarHBondContact O-N 3.35Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.26Å; A9-H12 PolarHBondContact O-N 3.16Å
10	I	87.9	Confident	86.1	Confident	121 Å²	121	105.1 Å²	105.1	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-42.8	176.7	-67.6	162.2	0	0	0	110.6	C6 I7 H12 Q13	C6-I10 WeakPolarHBondContact O-CD1 3.44Å; C6-I10 VanDerWaalsContact O-CG1 3.23Å; C6-I10 WeakPolarHBondContact O-CG1 2.96Å; C6-I10 PolarHBondContact O-N 2.96Å; I7-I10 PolarHBondContact O-N 3.24Å; I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 3.35Å; I10-Q13 PolarHBondContact O-N 3.5Å
11	V	85.7	Confident	86.5	Confident	97 Å²	97	101 Å²	101	59%	0.588	58%	0.579	S	S	*	*	H	α-helix	trans	-62.7	-38.1	178.9	172.5	0	0	0	0	111.3	I7 F8 Q13 A14	I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 VanDerWaalsContact O-CG2 3.27Å; I7-V11 WeakPolarHBondContact O-CG2 3.11Å; I7-V11 PolarHBondContact O-N 3.32Å; F8-V11 PolarHBondContact O-N 3.48Å; V11-Q13 PolarHBondContact O-N 3.43Å; V11-A14 PolarHBondContact O-N 3.43Å
12	H	84	Confident	87.3	Confident	133 Å²	133	97 Å²	97	62%	0.616	56%	0.557	S	S	*	*	H	α-helix	trans	-67.4	-17	178.5	-93.7	-71.6	0	0	0	114.9	F8 A9 I10	F8-H12 AromaticContact CD1-CD2 3.53Å; F8-H12 AromaticContact CD1-NE2 3.81Å; F8-H12 AromaticContact CE1-CD2 3.28Å; F8-H12 WeakPolarHBondContact CE1-CD2 3.23Å; F8-H12 AromaticContact CE1-NE2 3.04Å; F8-H12 WeakPolarHBondContact CE1-NE2 3.44Å; F8-H12 AromaticContact CZ-CD2 3.74Å; F8-H12 AromaticContact CZ-NE2 3.16Å; F8-H12 WeakPolarHBondContact CZ-NE2 3.27Å; F8-H12 PolarHBondContact O-CD2 3.49Å; F8-H12 PolarHBondContact O-N 3.32Å; A9-H12 PolarHBondContact O-N 3.16Å; I10-H12 VanDerWaalsContact C-N 3.3Å; I10-H12 PolarHBondContact O-N 3.35Å
13	Q	78.7	Confident	87.6	Confident	166 Å²	166	90.7 Å²	90.7	78%	0.776	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	178.9	-65.2	-157.6	97.9	0	0	113.7	I10 V11 S15	I10-Q13 PolarHBondContact O-N 3.5Å; V11-Q13 PolarHBondContact O-N 3.43Å; Q13-S15 PolarHBondContact O-N 3.38Å; Q13-S15 VanDerWaalsContact O-N 3.11Å
14	A	74.8	Confident	87.8	Confident	89 Å²	89	90.2 Å²	90.2	74%	0.736	52%	0.519	S	S	*	.			trans	-77.9	96.9	176	0	0	0	0	0	110.3	V11	V11-A14 PolarHBondContact O-N 3.43Å
15	S	74.2	Confident	87.8	Confident	105 Å²	105	88.6 Å²	88.6	73%	0.734	51%	0.507	S	S	*	.			trans	-97.8	141.8	162.1	56.2	0	0	0	0	110	Q13	Q13-S15 PolarHBondContact O-N 3.38Å; Q13-S15 VanDerWaalsContact O-N 3.11Å
16	G	76.5	Confident	87.8	Confident	73 Å²	73	90.9 Å²	90.9	75%	0.753	51%	0.508	S	S	*	.			trans	-121.5	120.9	178.5	0	0	0	0	0	110.5
17	N	83.1	Confident	88	Confident	84 Å²	84	88.8 Å²	88.8	45%	0.449	49%	0.494	S	S	.	.			trans	-102.8	2.2	-179.2	-75.5	52.4	0	0	0	113	T107 W108	N17-T107 VanDerWaalsContact O-CA 3.25Å; N17-T107 WeakPolarHBondContact O-CA 3.16Å; N17-T107 PolarHBondContact O-OG1 3.11Å; N17-W108 WeakPolarHBondContact CB-O 3.28Å; N17-W108 PolarHBondContact ND2-O 3.07Å; N17-W108 PolarHBondContact O-N 2.89Å
18	S	88.8	Confident	88.2	Confident	66 Å²	66	86 Å²	86	46%	0.462	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.7	-175.7	62.2	0	0	0	0	110.7	M106	S18-M106 CarbonylContact C-O 3.45Å; S18-M106 VanDerWaalsContact CA-O 3.26Å; S18-M106 WeakPolarHBondContact CA-O 3.04Å
19	L	92.6	Very high	88.6	Confident	82 Å²	82	82.6 Å²	82.6	43%	0.429	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.6	179	178.3	65.5	0	0	0	109.6	F21 F31 M106	L19-F21 HydrophobicContact CD2-CD1 4.49Å; L19-F21 HydrophobicContact CG-CD1 4.43Å; L19-F31 HydrophobicContact CD2-CD1 3.72Å; L19-F31 HydrophobicContact CD2-CE1 3.26Å; L19-F31 HydrophobicContact CD2-CZ 3.78Å; L19-M106 PolarHBondContact N-O 3.33Å; L19-M106 PolarHBondContact O-N 2.76Å
20	T	94	Very high	89	Confident	77 Å²	77	82.1 Å²	82.1	47%	0.472	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.1	167.9	-58.6	0	0	0	0	108.6	I48 I103 V104	T20-I48 HydrophobicContact CG2-CD1 3.89Å; T20-I103 HydrophobicContact CG2-CG2 3.55Å; T20-V104 WeakPolarHBondContact CA-O 3.4Å
21	F	95.1	Very high	89.4	Confident	19 Å²	19	78.6 Å²	78.6	8%	0.083	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158	-177.7	65.8	-84.5	0	0	0	111.3	L19 L23 Q29 F31 F92 V104 M106	L19-F21 HydrophobicContact CD2-CD1 4.49Å; L19-F21 HydrophobicContact CG-CD1 4.43Å; F21-L23 HydrophobicContact CD2-CB 4.44Å; F21-L23 HydrophobicContact CE2-CB 4.06Å; F21-L23 HydrophobicContact CE2-CD1 4.32Å; F21-Q29 VanDerWaalsContact CD2-OE1 3.3Å; F21-Q29 HydrophobicContact CE2-CB 4.39Å; F21-F31 HydrophobicContact CB-CZ 4.3Å; F21-F31 AromaticContact CD1-CE2 3.68Å; F21-F31 HydrophobicContact CD1-CE2 3.68Å; F21-F31 AromaticContact CD1-CZ 3.66Å; F21-F31 HydrophobicContact CD1-CZ 3.66Å; F21-F31 HydrophobicContact CD2-CE2 4.13Å; F21-F31 HydrophobicContact CD2-CZ 4.01Å; F21-F31 HydrophobicContact CE1-CD2 4.31Å; F21-F31 AromaticContact CE1-CE2 3.43Å; F21-F31 HydrophobicContact CE1-CE2 3.43Å; F21-F31 VanDerWaalsContact CE1-CE2 3.43Å; F21-F31 AromaticContact CE1-CZ 3.93Å; F21-F31 HydrophobicContact CE1-CZ 3.93Å; F21-F31 AromaticContact CE2-CE2 3.9Å; F21-F31 HydrophobicContact CE2-CE2 3.9Å; F21-F31 HydrophobicContact CE2-CZ 4.25Å; F21-F31 HydrophobicContact CG-CE2 4.04Å; F21-F31 AromaticContact CG-CZ 3.72Å; F21-F31 HydrophobicContact CG-CZ 3.72Å; F21-F31 AromaticContact CZ-CE2 3.56Å; F21-F31 HydrophobicContact CZ-CE2 3.56Å; F21-F31 HydrophobicContact CZ-CZ 4.23Å; F21-F92 HydrophobicContact CE1-CD2 4.2Å; F21-F92 HydrophobicContact CE1-CE2 4.47Å; F21-F92 HydrophobicContact CE2-CB 4.39Å; F21-F92 HydrophobicContact CZ-CB 4.02Å; F21-F92 AromaticContact CZ-CD2 3.61Å; F21-F92 HydrophobicContact CZ-CD2 3.61Å; F21-F92 HydrophobicContact CZ-CE2 4.28Å; F21-F92 AromaticContact CZ-CG 3.84Å; F21-F92 HydrophobicContact CZ-CG 3.84Å; F21-V104 WeakPolarHBondContact CD1-O 3.33Å; F21-V104 HydrophobicContact CE1-CB 3.91Å; F21-V104 HydrophobicContact CE1-CG1 4.08Å; F21-V104 HydrophobicContact CE2-CB 4.19Å; F21-V104 HydrophobicContact CZ-CB 3.7Å; F21-V104 HydrophobicContact CZ-CG1 3.98Å; F21-V104 HydrophobicContact CZ-CG2 4.34Å; F21-V104 PolarHBondContact N-O 2.99Å; F21-V104 PolarHBondContact O-N 3.06Å; F21-M106 HydrophobicContact CE1-CB 4.29Å
22	E	94.9	Very high	89.8	Confident	103 Å²	103	80.2 Å²	80.2	48%	0.481	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.2	172.4	-172.2	174.6	175.5	0	0	109.5	Q29 H101 K102	E22-Q29 PolarHBondContact O-NE2 2.83Å; E22-H101 HydrophobicContact CG-CB 4.49Å; E22-H101 IonicContact OE1-CD2 3.97Å; E22-H101 PolarHBondContact OE1-CD2 2.74Å; E22-H101 VanDerWaalsContact OE1-CD2 3.26Å; E22-H101 IonicContact OE1-CG 3.83Å; E22-H101 IonicContact OE1-ND1 3.51Å; E22-H101 IonicContact OE1-NE2 3.79Å; E22-K102 CarbonylContact C-O 3.6Å; E22-K102 WeakPolarHBondContact CA-O 3.47Å
23	L	95.7	Very high	90.2	Very high	0 Å²	0	78 Å²	78	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.8	177.7	-173.8	62	0	0	0	108.5	F21 Q29 V55 F92 N94 H101 K102 V104	F21-L23 HydrophobicContact CD2-CB 4.44Å; F21-L23 HydrophobicContact CE2-CB 4.06Å; F21-L23 HydrophobicContact CE2-CD1 4.32Å; L23-Q29 HydrophobicContact CD1-CB 4.17Å; L23-Q29 HydrophobicContact CD1-CG 4.05Å; L23-V55 HydrophobicContact CD2-CG1 3.99Å; L23-F92 HydrophobicContact CD2-CB 4Å; L23-N94 HydrophobicContact CD2-CB 3.71Å; L23-N94 HydrophobicContact CG-CB 3.77Å; L23-H101 WeakPolarHBondContact O-CA 3.44Å; L23-K102 PolarHBondContact N-O 2.94Å; L23-K102 PolarHBondContact O-N 2.85Å; L23-V104 HydrophobicContact CB-CG2 4.48Å; L23-V104 HydrophobicContact CD2-CG2 4.45Å
24	E	94.6	Very high	90.8	Very high	121 Å²	121	76.2 Å²	76.2	57%	0.565	43%	0.425	S	S	*	.			trans	-60.6	158.9	-178.2	-59.6	179.7	169.7	0	0	111.7	S27 N94	E24-S27 WeakPolarHBondContact CB-OG 3.45Å; E24-S27 PolarHBondContact N-OG 3.33Å; E24-S27 PolarHBondContact O-OG 2.94Å; E24-N94 PolarHBondContact O-ND2 2.96Å
25	D	91.9	Very high	91.7	Very high	66 Å²	66	72.4 Å²	72.4	35%	0.353	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	146.5	171.5	62.7	-66.6	0	0	0	110.8	S27	D25-S27 PolarHBondContact O-N 3.36Å
26	R	92.2	Very high	92.5	Very high	160 Å²	160	70.5 Å²	70.5	60%	0.604	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	25	-179.7	-55.8	-177.8	-177	172.2	5	114.9	N94 Y95 S97	R26-N94 PolarHBondContact N-O 3.47Å; R26-Y95 VanDerWaalsContact O-CD1 3.22Å; R26-Y95 WeakPolarHBondContact O-CD1 3.47Å; R26-Y95 WeakPolarHBondContact O-CE1 3.29Å; R26-S97 PolarHBondContact N-O 3.36Å
27	S	94.6	Very high	93.2	Very high	21 Å²	21	74.5 Å²	74.5	15%	0.147	38%	0.376	C	S	.	.			trans	-126.9	167.3	-177.3	83.4	0	0	0	0	112.4	E24 D25 N94	E24-S27 WeakPolarHBondContact CB-OG 3.45Å; E24-S27 PolarHBondContact N-OG 3.33Å; E24-S27 PolarHBondContact O-OG 2.94Å; D25-S27 PolarHBondContact O-N 3.36Å; S27-N94 PolarHBondContact O-N 3.19Å
28	G	95.1	Very high	93.4	Very high	34 Å²	34	73.8 Å²	73.8	35%	0.351	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.8	169.9	0	0	0	0	0	110.9	F92	G28-F92 CarbonylContact C-O 3.6Å; G28-F92 WeakPolarHBondContact CA-O 3.45Å
29	Q	96.8	Very high	93.5	Very high	64 Å²	64	73.3 Å²	73.3	30%	0.299	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.1	175.6	-69.2	-176.4	20.7	0	0	109.8	F21 E22 L23 F31 C91 F92	F21-Q29 VanDerWaalsContact CD2-OE1 3.3Å; F21-Q29 HydrophobicContact CE2-CB 4.39Å; E22-Q29 PolarHBondContact O-NE2 2.83Å; L23-Q29 HydrophobicContact CD1-CB 4.17Å; L23-Q29 HydrophobicContact CD1-CG 4.05Å; Q29-F31 HydrophobicContact CB-CE2 4.34Å; Q29-F31 HydrophobicContact CB-CZ 4.45Å; Q29-C91 CarbonylContact O-C 3.59Å; Q29-C91 WeakPolarHBondContact O-CA 3.36Å; Q29-F92 PolarHBondContact N-O 3.21Å; Q29-F92 PolarHBondContact O-N 3.48Å
30	C	96.9	Very high	93.4	Very high	44 Å²	44	70.1 Å²	70.1	30%	0.297	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.4	179.5	-53.9	0	0	0	0	111.1	Y32 K89 V90 C91	C30-Y32 HydrophobicContact CB-CE2 4.2Å; C30-K89 HydrophobicContact CB-CG 4.41Å; C30-K89 VanDerWaalsContact SG-CE 3.56Å; C30-V90 CarbonylContact C-O 3.46Å; C30-V90 WeakPolarHBondContact CA-O 3.15Å; C30-V90 WeakPolarHBondContact CB-O 3.27Å; C30-C91 HydrophobicContact CB-CB 4.11Å; C30-C91 WeakPolarHBondContact CB-SG 3.43Å; C30-C91 WeakPolarHBondContact SG-CB 3.31Å; C30-C91 CovalentContact SG-SG 2.05Å; C30-C91 PolarHBondContact SG-SG 3.39Å
31	F	96.1	Very high	93.3	Very high	46 Å²	46	66.5 Å²	66.5	20%	0.202	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.1	176.7	-56.4	-80.9	0	0	0	109.7	L19 F21 Q29 K89 V90 F92	L19-F31 HydrophobicContact CD2-CD1 3.72Å; L19-F31 HydrophobicContact CD2-CE1 3.26Å; L19-F31 HydrophobicContact CD2-CZ 3.78Å; F21-F31 HydrophobicContact CB-CZ 4.3Å; F21-F31 AromaticContact CD1-CE2 3.68Å; F21-F31 HydrophobicContact CD1-CE2 3.68Å; F21-F31 AromaticContact CD1-CZ 3.66Å; F21-F31 HydrophobicContact CD1-CZ 3.66Å; F21-F31 HydrophobicContact CD2-CE2 4.13Å; F21-F31 HydrophobicContact CD2-CZ 4.01Å; F21-F31 HydrophobicContact CE1-CD2 4.31Å; F21-F31 AromaticContact CE1-CE2 3.43Å; F21-F31 HydrophobicContact CE1-CE2 3.43Å; F21-F31 VanDerWaalsContact CE1-CE2 3.43Å; F21-F31 AromaticContact CE1-CZ 3.93Å; F21-F31 HydrophobicContact CE1-CZ 3.93Å; F21-F31 AromaticContact CE2-CE2 3.9Å; F21-F31 HydrophobicContact CE2-CE2 3.9Å; F21-F31 HydrophobicContact CE2-CZ 4.25Å; F21-F31 HydrophobicContact CG-CE2 4.04Å; F21-F31 AromaticContact CG-CZ 3.72Å; F21-F31 HydrophobicContact CG-CZ 3.72Å; F21-F31 AromaticContact CZ-CE2 3.56Å; F21-F31 HydrophobicContact CZ-CE2 3.56Å; F21-F31 HydrophobicContact CZ-CZ 4.23Å; Q29-F31 HydrophobicContact CB-CE2 4.34Å; Q29-F31 HydrophobicContact CB-CZ 4.45Å; F31-K89 WeakPolarHBondContact O-CA 3.39Å; F31-V90 HydrophobicContact CB-CG1 3.86Å; F31-V90 HydrophobicContact CD2-CG1 4.41Å; F31-V90 PolarHBondContact N-O 3.39Å; F31-V90 PolarHBondContact O-N 3.41Å; F31-F92 HydrophobicContact CD2-CD2 4.27Å; F31-F92 HydrophobicContact CD2-CE2 4.46Å; F31-F92 HydrophobicContact CE2-CD2 4.36Å
32	Y	94.8	Very high	93.2	Very high	132 Å²	132	66.1 Å²	66.1	52%	0.518	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	-170.6	-57.5	-95	0	0	0	108.2	C30 I87 Y88 K89	C30-Y32 HydrophobicContact CB-CE2 4.2Å; Y32-I87 HydrophobicContact CD1-CG2 4.01Å; Y32-I87 HydrophobicContact CG-CG2 4.37Å; Y32-Y88 VanDerWaalsContact CA-O 3.31Å; Y32-Y88 WeakPolarHBondContact CA-O 3.29Å; Y32-K89 HydrophobicContact CD1-CB 3.93Å; Y32-K89 HydrophobicContact CD1-CD 4.39Å; Y32-K89 HydrophobicContact CD1-CG 3.97Å; Y32-K89 HydrophobicContact CE1-CB 3.95Å; Y32-K89 HydrophobicContact CE1-CD 3.56Å; Y32-K89 HydrophobicContact CE1-CG 3.56Å; Y32-K89 WeakPolarHBondContact OH-CE 3.03Å; Y32-K89 PolarHBondContact OH-NZ 3.29Å
33	E	92.3	Very high	93.2	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.8	176.2	-171.6	59	-91.5	0	0	109.1	F35 I87 Y88 W108	E33-F35 HydrophobicContact CB-CE2 3.74Å; E33-F35 HydrophobicContact CB-CZ 4.06Å; E33-F35 HydrophobicContact CG-CD2 4.41Å; E33-F35 HydrophobicContact CG-CE1 4.17Å; E33-F35 HydrophobicContact CG-CE2 3.65Å; E33-F35 HydrophobicContact CG-CZ 3.5Å; E33-I87 CarbonylContact O-C 3.6Å; E33-I87 WeakPolarHBondContact O-CA 3.49Å; E33-Y88 PolarHBondContact N-O 3.4Å; E33-Y88 PolarHBondContact O-N 3.01Å; E33-W108 HydrophobicContact CB-CD2 4.49Å; E33-W108 HydrophobicContact CB-CZ2 4.44Å
34	E	92.3	Very high	93.1	Very high	128 Å²	128	61.4 Å²	61.4	60%	0.598	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.4	-178.5	-172.8	169.4	-162	0	0	110.5	I87	E34-I87 HydrophobicContact CB-CG1 4.34Å; E34-I87 HydrophobicContact CG-CG1 4.43Å
35	F	92.1	Very high	93.1	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.3	178.6	-64.7	-77	0	0	0	111.3	E33 F41 V82 G86 Y88 W108	E33-F35 HydrophobicContact CB-CE2 3.74Å; E33-F35 HydrophobicContact CB-CZ 4.06Å; E33-F35 HydrophobicContact CG-CD2 4.41Å; E33-F35 HydrophobicContact CG-CE1 4.17Å; E33-F35 HydrophobicContact CG-CE2 3.65Å; E33-F35 HydrophobicContact CG-CZ 3.5Å; F35-F41 HydrophobicContact CD1-CB 4.21Å; F35-F41 AromaticContact CD1-CD1 3.82Å; F35-F41 HydrophobicContact CD1-CD1 3.82Å; F35-F41 HydrophobicContact CD1-CG 4.29Å; F35-F41 AromaticContact CD2-CD1 3.62Å; F35-F41 HydrophobicContact CD2-CD1 3.62Å; F35-F41 AromaticContact CD2-CE1 3.66Å; F35-F41 HydrophobicContact CD2-CE1 3.66Å; F35-F41 HydrophobicContact CD2-CG 4.37Å; F35-F41 HydrophobicContact CD2-CZ 4.44Å; F35-F41 HydrophobicContact CE1-CB 3.63Å; F35-F41 AromaticContact CE1-CD1 3.84Å; F35-F41 HydrophobicContact CE1-CD1 3.84Å; F35-F41 AromaticContact CE1-CG 3.85Å; F35-F41 HydrophobicContact CE1-CG 3.85Å; F35-F41 AromaticContact CE2-CD1 3.63Å; F35-F41 HydrophobicContact CE2-CD1 3.63Å; F35-F41 HydrophobicContact CE2-CD2 4.33Å; F35-F41 AromaticContact CE2-CE1 3.78Å; F35-F41 HydrophobicContact CE2-CE1 3.78Å; F35-F41 AromaticContact CE2-CG 3.92Å; F35-F41 HydrophobicContact CE2-CG 3.92Å; F35-F41 HydrophobicContact CE2-CZ 4.23Å; F35-F41 AromaticContact CG-CD1 3.72Å; F35-F41 HydrophobicContact CG-CD1 3.72Å; F35-F41 HydrophobicContact CG-CE1 4.12Å; F35-F41 HydrophobicContact CZ-CB 3.84Å; F35-F41 AromaticContact CZ-CD1 3.74Å; F35-F41 HydrophobicContact CZ-CD1 3.74Å; F35-F41 HydrophobicContact CZ-CD2 4.19Å; F35-F41 HydrophobicContact CZ-CE1 4.35Å; F35-F41 AromaticContact CZ-CG 3.65Å; F35-F41 HydrophobicContact CZ-CG 3.65Å; F35-V82 HydrophobicContact CB-CB 4.46Å; F35-V82 HydrophobicContact CB-CG1 3.93Å; F35-V82 HydrophobicContact CB-CG2 3.69Å; F35-V82 HydrophobicContact CG-CG2 4.19Å; F35-G86 PolarHBondContact N-O 2.7Å; F35-G86 PolarHBondContact O-N 2.88Å; F35-Y88 HydrophobicContact CB-CD2 4.24Å; F35-Y88 HydrophobicContact CB-CE2 4.29Å; F35-Y88 AromaticContact CD2-CD2 3.76Å; F35-Y88 HydrophobicContact CD2-CD2 3.76Å; F35-Y88 HydrophobicContact CD2-CE2 4.48Å; F35-Y88 HydrophobicContact CD2-CG 4Å; F35-Y88 HydrophobicContact CG-CD2 4.49Å; F35-W108 AromaticContact CE2-CE3 3.87Å; F35-W108 HydrophobicContact CE2-CE3 3.87Å; F35-W108 AromaticContact CE2-CZ3 3.73Å; F35-W108 HydrophobicContact CE2-CZ3 3.73Å; F35-W108 HydrophobicContact CZ-CD2 4.39Å; F35-W108 AromaticContact CZ-CE3 3.66Å; F35-W108 HydrophobicContact CZ-CE3 3.66Å; F35-W108 HydrophobicContact CZ-CZ3 4.02Å
36	S	91.9	Very high	93.3	Very high	66 Å²	66	53.1 Å²	53.1	46%	0.462	28%	0.28	S	S	.	.			trans	-89.9	144.5	176.8	-68	0	0	0	0	112.4	G38 D39 V82 D85	S36-G38 PolarHBondContact O-N 2.9Å; S36-D39 WeakPolarHBondContact O-CB 3.42Å; S36-D39 PolarHBondContact O-N 3.35Å; S36-D39 VanDerWaalsContact O-N 3.07Å; S36-V82 WeakPolarHBondContact O-CB 3.32Å; S36-V82 VanDerWaalsContact O-CG1 3.25Å; S36-V82 WeakPolarHBondContact O-CG1 3.42Å; S36-D85 VanDerWaalsContact CA-OD1 3.3Å; S36-D85 WeakPolarHBondContact CA-OD1 3.47Å
37	K	90.6	Very high	93.4	Very high	157 Å²	157	45.5 Å²	45.5	68%	0.683	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	129.5	178.1	-177.8	-179.5	-179.9	-176.6	0	111.1	D85	K37-D85 HydrophobicContact CB-CB 4.21Å
38	G	88.1	Confident	93.4	Very high	69 Å²	69	45.4 Å²	45.4	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.1	-12.4	-178.2	0	0	0	0	0	114	S36 V82	S36-G38 PolarHBondContact O-N 2.9Å; G38-V82 PolarHBondContact N-O 2.88Å
39	D	89.7	Confident	93.1	Very high	55 Å²	55	45.1 Å²	45.1	29%	0.294	24%	0.242	S	C	.	.			trans	-71.4	161.1	166.8	-71.8	-38.5	0	0	0	111	S36 V82 S112	S36-D39 WeakPolarHBondContact O-CB 3.42Å; S36-D39 PolarHBondContact O-N 3.35Å; S36-D39 VanDerWaalsContact O-N 3.07Å; D39-V82 HydrophobicContact CB-CB 4.49Å; D39-V82 HydrophobicContact CB-CG2 4.16Å; D39-V82 WeakPolarHBondContact O-CB 3.5Å; D39-V82 VanDerWaalsContact O-CG2 3.24Å; D39-V82 WeakPolarHBondContact O-CG2 3.37Å; D39-V82 PolarHBondContact O-N 3.29Å; D39-S112 PolarHBondContact OD1-OG 2.96Å
40	S	91.8	Very high	92.7	Very high	16 Å²	16	42.8 Å²	42.8	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.2	167.8	53.1	0	0	0	0	107.9	I80 D81 S111	S40-I80 WeakPolarHBondContact CA-O 3.15Å; S40-D81 WeakPolarHBondContact CB-OD1 3.48Å; S40-S111 WeakPolarHBondContact CA-OG 3.45Å; S40-S111 WeakPolarHBondContact CB-OG 3.28Å; S40-S111 PolarHBondContact O-N 3Å; S40-S111 PolarHBondContact O-OG 2.69Å; S40-S111 PolarHBondContact OG-OG 2.63Å
41	F	92.5	Very high	92.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.6	177	70.2	-100	0	0	0	111.9	F35 L43 L59 I80 V82 Y88 W108 R109 S111	F35-F41 HydrophobicContact CD1-CB 4.21Å; F35-F41 AromaticContact CD1-CD1 3.82Å; F35-F41 HydrophobicContact CD1-CD1 3.82Å; F35-F41 HydrophobicContact CD1-CG 4.29Å; F35-F41 AromaticContact CD2-CD1 3.62Å; F35-F41 HydrophobicContact CD2-CD1 3.62Å; F35-F41 AromaticContact CD2-CE1 3.66Å; F35-F41 HydrophobicContact CD2-CE1 3.66Å; F35-F41 HydrophobicContact CD2-CG 4.37Å; F35-F41 HydrophobicContact CD2-CZ 4.44Å; F35-F41 HydrophobicContact CE1-CB 3.63Å; F35-F41 AromaticContact CE1-CD1 3.84Å; F35-F41 HydrophobicContact CE1-CD1 3.84Å; F35-F41 AromaticContact CE1-CG 3.85Å; F35-F41 HydrophobicContact CE1-CG 3.85Å; F35-F41 AromaticContact CE2-CD1 3.63Å; F35-F41 HydrophobicContact CE2-CD1 3.63Å; F35-F41 HydrophobicContact CE2-CD2 4.33Å; F35-F41 AromaticContact CE2-CE1 3.78Å; F35-F41 HydrophobicContact CE2-CE1 3.78Å; F35-F41 AromaticContact CE2-CG 3.92Å; F35-F41 HydrophobicContact CE2-CG 3.92Å; F35-F41 HydrophobicContact CE2-CZ 4.23Å; F35-F41 AromaticContact CG-CD1 3.72Å; F35-F41 HydrophobicContact CG-CD1 3.72Å; F35-F41 HydrophobicContact CG-CE1 4.12Å; F35-F41 HydrophobicContact CZ-CB 3.84Å; F35-F41 AromaticContact CZ-CD1 3.74Å; F35-F41 HydrophobicContact CZ-CD1 3.74Å; F35-F41 HydrophobicContact CZ-CD2 4.19Å; F35-F41 HydrophobicContact CZ-CE1 4.35Å; F35-F41 AromaticContact CZ-CG 3.65Å; F35-F41 HydrophobicContact CZ-CG 3.65Å; F41-L43 HydrophobicContact CD2-CB 4.45Å; F41-L43 HydrophobicContact CE2-CB 4.31Å; F41-L59 HydrophobicContact CE2-CD2 4.26Å; F41-L59 HydrophobicContact CZ-CD2 4.31Å; F41-I80 HydrophobicContact CD2-CB 4.41Å; F41-I80 HydrophobicContact CE1-CB 4Å; F41-I80 HydrophobicContact CE1-CG2 3.9Å; F41-I80 HydrophobicContact CE2-CB 3.8Å; F41-I80 HydrophobicContact CE2-CG1 3.97Å; F41-I80 HydrophobicContact CE2-CG2 4.45Å; F41-I80 HydrophobicContact CZ-CB 3.59Å; F41-I80 HydrophobicContact CZ-CG1 4Å; F41-I80 HydrophobicContact CZ-CG2 3.73Å; F41-I80 PolarHBondContact N-O 3.45Å; F41-I80 PolarHBondContact O-N 3.07Å; F41-V82 HydrophobicContact CD1-CG2 3.55Å; F41-V82 HydrophobicContact CE1-CG2 3.77Å; F41-Y88 AromaticContact CE1-CD1 3.78Å; F41-Y88 HydrophobicContact CE1-CD1 3.78Å; F41-Y88 HydrophobicContact CE1-CD2 4.49Å; F41-Y88 AromaticContact CE1-CE1 3.81Å; F41-Y88 HydrophobicContact CE1-CE1 3.81Å; F41-Y88 HydrophobicContact CE1-CG 4.12Å; F41-Y88 AromaticContact CZ-CD1 3.64Å; F41-Y88 HydrophobicContact CZ-CD1 3.64Å; F41-Y88 AromaticContact CZ-CE1 3.96Å; F41-Y88 HydrophobicContact CZ-CE1 3.96Å; F41-Y88 HydrophobicContact CZ-CG 4.21Å; F41-W108 AromaticContact CD2-CE3 3.75Å; F41-W108 HydrophobicContact CD2-CE3 3.75Å; F41-W108 AromaticContact CD2-CZ3 3.69Å; F41-W108 HydrophobicContact CD2-CZ3 3.69Å; F41-W108 AromaticContact CE2-CE3 3.98Å; F41-W108 HydrophobicContact CE2-CE3 3.98Å; F41-W108 HydrophobicContact CE2-CH2 4.49Å; F41-W108 AromaticContact CE2-CZ3 3.41Å; F41-W108 HydrophobicContact CE2-CZ3 3.41Å; F41-W108 VanDerWaalsContact CE2-CZ3 3.41Å; F41-W108 HydrophobicContact CG-CE3 4.47Å; F41-W108 AromaticContact CZ-CZ3 4Å; F41-W108 HydrophobicContact CZ-CZ3 4Å; F41-R109 CarbonylContact C-O 3.4Å; F41-R109 WeakPolarHBondContact CA-O 3.2Å; F41-R109 WeakPolarHBondContact CB-O 3.37Å; F41-S111 PolarHBondContact N-OG 2.95Å
42	T	92.6	Very high	91.7	Very high	12 Å²	12	46.8 Å²	46.8	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121	174	-54.7	0	0	0	0	109.1	E77 V78 N79 R109	T42-E77 HydrophobicContact CG2-CG 3.33Å; T42-E77 WeakPolarHBondContact CG2-OE1 3.19Å; T42-V78 WeakPolarHBondContact CA-O 3.26Å; T42-N79 VanDerWaalsContact CB-OD1 3.27Å; T42-N79 WeakPolarHBondContact CB-OD1 3.25Å; T42-N79 WeakPolarHBondContact CG2-OD1 3.45Å; T42-N79 PolarHBondContact OG1-OD1 3.22Å; T42-R109 PolarHBondContact N-O 3.38Å; T42-R109 PolarHBondContact O-N 3.36Å
43	L	94.4	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112	174.2	178.6	74.5	0	0	0	108.8	F41 M57 L59 E77 V78 V90 M106 W108	F41-L43 HydrophobicContact CD2-CB 4.45Å; F41-L43 HydrophobicContact CE2-CB 4.31Å; L43-M57 HydrophobicContact CD2-CE 3.53Å; L43-M57 HydrophobicContact CD2-SD 4.28Å; L43-M57 HydrophobicContact CG-CE 4.39Å; L43-L59 HydrophobicContact CD2-CB 4.35Å; L43-L59 HydrophobicContact CD2-CD1 4.15Å; L43-L59 HydrophobicContact CD2-CD2 4.04Å; L43-L59 HydrophobicContact CD2-CG 4.4Å; L43-E77 CarbonylContact O-C 3.47Å; L43-E77 WeakPolarHBondContact O-CA 3.24Å; L43-V78 HydrophobicContact CB-CB 4.4Å; L43-V78 PolarHBondContact N-O 3.24Å; L43-V78 PolarHBondContact O-N 3.44Å; L43-V90 HydrophobicContact CD2-CB 4.38Å; L43-V90 HydrophobicContact CD2-CG2 3.89Å; L43-M106 HydrophobicContact CD1-CE 3.07Å; L43-M106 HydrophobicContact CD1-SD 3.29Å; L43-M106 WeakPolarHBondContact CD1-SD 3.2Å; L43-M106 HydrophobicContact CG-CE 3.49Å; L43-M106 VanDerWaalsContact CG-CE 3.49Å; L43-M106 HydrophobicContact CG-SD 4.11Å; L43-W108 HydrophobicContact CB-CE3 4.3Å; L43-W108 HydrophobicContact CB-CZ3 4.28Å; L43-W108 HydrophobicContact CD1-CD2 3.55Å; L43-W108 VanDerWaalsContact CD1-CE2 3.49Å; L43-W108 HydrophobicContact CD1-CE3 3.54Å; L43-W108 HydrophobicContact CD1-CG 4.42Å; L43-W108 HydrophobicContact CD1-CH2 3.52Å; L43-W108 HydrophobicContact CD1-CZ2 3.49Å; L43-W108 VanDerWaalsContact CD1-CZ2 3.49Å; L43-W108 HydrophobicContact CD1-CZ3 3.55Å; L43-W108 HydrophobicContact CD2-CH2 4.41Å; L43-W108 HydrophobicContact CG-CZ3 4.38Å
44	A	93.9	Very high	91.7	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.2	179.5	0	0	0	0	0	111.5	E76 E77 M106 T107	A44-E76 WeakPolarHBondContact CA-O 3.3Å; A44-E77 HydrophobicContact CB-CB 4.29Å; A44-E77 HydrophobicContact CB-CG 4.11Å; A44-M106 WeakPolarHBondContact O-CE 3.32Å; A44-T107 HydrophobicContact CB-CG2 3.85Å; A44-T107 PolarHBondContact N-O 3.02Å; A44-T107 WeakPolarHBondContact O-CG2 3.49Å; A44-T107 PolarHBondContact O-N 2.83Å
45	F	95.4	Very high	91.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.7	176.4	78.8	-90.5	0	0	0	112.3	V47 V55 M57 L70 S75 E76 F92 V104 S105 M106	F45-V47 HydrophobicContact CE2-CG2 4.42Å; F45-V55 HydrophobicContact CD2-CG2 4.04Å; F45-V55 HydrophobicContact CE2-CG2 3.49Å; F45-V55 VanDerWaalsContact CE2-CG2 3.49Å; F45-V55 HydrophobicContact CZ-CG2 4.18Å; F45-M57 HydrophobicContact CD1-CE 4Å; F45-M57 HydrophobicContact CD1-CG 4.48Å; F45-M57 HydrophobicContact CE1-CB 4.1Å; F45-M57 HydrophobicContact CE1-CE 3.9Å; F45-M57 HydrophobicContact CE1-CG 4.29Å; F45-M57 HydrophobicContact CZ-CB 4.41Å; F45-L70 HydrophobicContact CE1-CD1 3.78Å; F45-L70 HydrophobicContact CZ-CD1 4.27Å; F45-S75 VanDerWaalsContact O-CA 3.28Å; F45-S75 WeakPolarHBondContact O-CA 3.24Å; F45-S75 PolarHBondContact O-OG 2.87Å; F45-E76 HydrophobicContact CD1-CB 4.24Å; F45-E76 HydrophobicContact CE1-CB 3.54Å; F45-E76 HydrophobicContact CZ-CB 4.01Å; F45-E76 PolarHBondContact N-O 2.96Å; F45-E76 PolarHBondContact O-N 3.43Å; F45-F92 HydrophobicContact CB-CE1 3.87Å; F45-F92 HydrophobicContact CB-CZ 3.91Å; F45-F92 AromaticContact CD1-CE1 3.91Å; F45-F92 HydrophobicContact CD1-CE1 3.91Å; F45-F92 HydrophobicContact CD1-CZ 4.35Å; F45-F92 AromaticContact CD2-CE1 3.99Å; F45-F92 HydrophobicContact CD2-CE1 3.99Å; F45-F92 HydrophobicContact CE1-CE1 4.45Å; F45-F92 AromaticContact CG-CE1 3.65Å; F45-F92 HydrophobicContact CG-CE1 3.65Å; F45-F92 HydrophobicContact CG-CZ 4.14Å; F45-V104 HydrophobicContact CB-CG1 4.42Å; F45-V104 HydrophobicContact CD2-CG1 4.39Å; F45-S105 CarbonylContact C-O 3.58Å; F45-S105 WeakPolarHBondContact CA-O 3.4Å; F45-M106 HydrophobicContact CB-CE 3.78Å; F45-M106 HydrophobicContact CB-SD 4.4Å
46	N	95.4	Very high	92.1	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.064	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.2	177.1	-81.6	-80.9	0	0	0	110.1	I48 S75 S105 E148 I151	N46-I48 PolarHBondContact O-N 3.2Å; N46-S75 WeakPolarHBondContact OD1-CB 3.5Å; N46-S75 PolarHBondContact OD1-OG 3.25Å; N46-S105 PolarHBondContact N-O 3.41Å; N46-S105 PolarHBondContact O-N 2.79Å; N46-E148 PolarHBondContact ND2-OE2 3.35Å; N46-I151 HydrophobicContact CB-CG2 3.74Å
47	V	95.1	Very high	92.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.5	170.6	-172.2	0	0	0	0	109	F45 Y53 V55 S74 K102 V104	F45-V47 HydrophobicContact CE2-CG2 4.42Å; V47-Y53 WeakPolarHBondContact CB-O 3.17Å; V47-Y53 HydrophobicContact CG1-CD1 4.46Å; V47-Y53 WeakPolarHBondContact CG2-O 3.43Å; V47-V55 HydrophobicContact CG2-CB 4.37Å; V47-V55 HydrophobicContact CG2-CG1 3.9Å; V47-V55 HydrophobicContact CG2-CG2 3.69Å; V47-S74 WeakPolarHBondContact CG2-O 3.19Å; V47-S74 PolarHBondContact N-O 3.04Å; V47-K102 HydrophobicContact CG1-CB 4.36Å; V47-K102 HydrophobicContact CG1-CD 4.5Å; V47-V104 HydrophobicContact CG2-CG2 4.37Å
48	I	92.8	Very high	92.7	Very high	18 Å²	18	25.3 Å²	25.3	9%	0.092	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-43.7	-175.6	-64	172.7	0	0	0	110.8	T20 N46 I103 I151 V154 R155	T20-I48 HydrophobicContact CG2-CD1 3.89Å; N46-I48 PolarHBondContact O-N 3.2Å; I48-I103 HydrophobicContact CB-CB 4.41Å; I48-I103 HydrophobicContact CB-CG2 4.26Å; I48-I103 HydrophobicContact CD1-CG2 4.28Å; I48-I103 PolarHBondContact N-O 3.38Å; I48-I151 HydrophobicContact CG1-CG2 4.31Å; I48-V154 HydrophobicContact CG2-CG1 3.73Å; I48-R155 WeakPolarHBondContact O-CG 3.5Å
49	S	90.7	Very high	93.1	Very high	29 Å²	29	22 Å²	22	20%	0.203	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.5	-173.5	-162.2	0	0	0	0	111.8	K102 I103 S158	S49-K102 VanDerWaalsContact O-CA 3.3Å; S49-K102 WeakPolarHBondContact O-CA 3.47Å; S49-I103 PolarHBondContact O-N 2.94Å; S49-S158 PolarHBondContact OG-OG 2.69Å
50	G	87.5	Confident	93.5	Very high	14 Å²	14	23 Å²	23	14%	0.144	14%	0.137	C	C	.	.	S	Bend	trans	111.2	126.3	174.5	0	0	0	0	0	114.2	N52 Y53 H101	G50-N52 PolarHBondContact O-N 3.22Å; G50-Y53 PolarHBondContact O-N 3.26Å; G50-H101 WeakPolarHBondContact CA-O 3.36Å
51	G	84.9	Confident	93.6	Very high	51 Å²	51	22.8 Å²	22.8	53%	0.526	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-125.3	171.1	0	0	0	0	0	114.5	Y53	G51-Y53 VanDerWaalsContact C-N 3.32Å
52	N	88.2	Confident	93.8	Very high	123 Å²	123	24.9 Å²	24.9	66%	0.658	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	17.5	178.9	-169.8	46.5	0	0	0	113.2	G50 D54	G50-N52 PolarHBondContact O-N 3.22Å; N52-D54 PolarHBondContact ND2-OD2 3.46Å; N52-D54 PolarHBondContact O-N 2.86Å
53	Y	91.6	Very high	93.9	Very high	49 Å²	49	27.7 Å²	27.7	19%	0.192	17%	0.168	C	C	.	.	S	Bend	trans	52.1	32.2	-177	-47.2	-87.6	0	0	0	114.6	V47 G50 G51 S74 R155 N159	V47-Y53 WeakPolarHBondContact CB-O 3.17Å; V47-Y53 HydrophobicContact CG1-CD1 4.46Å; V47-Y53 WeakPolarHBondContact CG2-O 3.43Å; G50-Y53 PolarHBondContact O-N 3.26Å; G51-Y53 VanDerWaalsContact C-N 3.32Å; Y53-S74 WeakPolarHBondContact O-CA 3.42Å; Y53-S74 WeakPolarHBondContact O-CB 3.44Å; Y53-R155 VanDerWaalsContact CB-NH2 3.32Å; Y53-R155 HydrophobicContact CE1-CG 4.38Å; Y53-N159 PolarHBondContact OH-ND2 3.17Å; Y53-N159 PolarHBondContact OH-OD1 2.92Å
54	D	94.3	Very high	93.8	Very high	13 Å²	13	36 Å²	36	7%	0.07	20%	0.204	C	C	.	.			trans	-108.2	143.7	-176.7	44.9	8.9	0	0	0	111.3	N52 R72 S73 F96 K102	N52-D54 PolarHBondContact ND2-OD2 3.46Å; N52-D54 PolarHBondContact O-N 2.86Å; D54-R72 HydrophobicContact CB-CB 3.88Å; D54-S73 CarbonylContact C-O 3.52Å; D54-F96 HydrophobicContact CB-CE2 4.44Å; D54-F96 HydrophobicContact CB-CZ 4.11Å; D54-F96 VanDerWaalsContact CG-CE2 3.5Å; D54-F96 WeakPolarHBondContact O-CZ 3.36Å; D54-F96 WeakPolarHBondContact OD1-CE2 3.44Å; D54-F96 WeakPolarHBondContact OD1-CZ 3.32Å; D54-K102 WeakPolarHBondContact O-CD 3.41Å; D54-K102 WeakPolarHBondContact O-CE 3.36Å; D54-K102 PolarHBondContact O-NZ 3.09Å; D54-K102 WeakPolarHBondContact OD1-CE 3.25Å; D54-K102 IonicContact OD1-NZ 3.8Å; D54-K102 PolarHBondContact OD1-NZ 3.47Å
55	V	96.1	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154	169.5	-69.9	0	0	0	0	109.9	L23 F45 V47 R72 S73 F92 K102 V104	L23-V55 HydrophobicContact CD2-CG1 3.99Å; F45-V55 HydrophobicContact CD2-CG2 4.04Å; F45-V55 HydrophobicContact CE2-CG2 3.49Å; F45-V55 VanDerWaalsContact CE2-CG2 3.49Å; F45-V55 HydrophobicContact CZ-CG2 4.18Å; V47-V55 HydrophobicContact CG2-CB 4.37Å; V47-V55 HydrophobicContact CG2-CG1 3.9Å; V47-V55 HydrophobicContact CG2-CG2 3.69Å; V55-R72 PolarHBondContact O-N 3.14Å; V55-S73 PolarHBondContact N-O 2.86Å; V55-S73 PolarHBondContact O-N 3.28Å; V55-F92 HydrophobicContact CG2-CD1 4.12Å; V55-K102 HydrophobicContact CG1-CD 3.8Å; V55-V104 HydrophobicContact CG1-CG2 3.95Å
56	D	97	Very high	93.9	Very high	29 Å²	29	44 Å²	44	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.6	167.7	-61.5	-28	0	0	0	108.3	L70 H71 R72 F92 S93	D56-L70 CarbonylContact C-O 3.51Å; D56-L70 WeakPolarHBondContact CA-O 3.48Å; D56-H71 VanDerWaalsContact OD1-CA 3.24Å; D56-H71 WeakPolarHBondContact OD1-CA 3.32Å; D56-H71 IonicContact OD1-ND1 3.99Å; D56-R72 PolarHBondContact OD1-N 3Å; D56-F92 CarbonylContact O-C 3.59Å; D56-F92 WeakPolarHBondContact O-CA 3.42Å; D56-S93 WeakPolarHBondContact CB-OG 3.43Å; D56-S93 PolarHBondContact N-O 2.91Å; D56-S93 VanDerWaalsContact N-O 3.12Å; D56-S93 PolarHBondContact O-N 3.18Å
57	M	97.1	Very high	93.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	179.2	-179.2	-88.3	-101.7	0	0	110	L43 F45 L59 S69 L70 V78 V90 C91 F92	L43-M57 HydrophobicContact CD2-CE 3.53Å; L43-M57 HydrophobicContact CD2-SD 4.28Å; L43-M57 HydrophobicContact CG-CE 4.39Å; F45-M57 HydrophobicContact CD1-CE 4Å; F45-M57 HydrophobicContact CD1-CG 4.48Å; F45-M57 HydrophobicContact CE1-CB 4.1Å; F45-M57 HydrophobicContact CE1-CE 3.9Å; F45-M57 HydrophobicContact CE1-CG 4.29Å; F45-M57 HydrophobicContact CZ-CB 4.41Å; M57-L59 HydrophobicContact SD-CB 4.15Å; M57-S69 CarbonylContact O-C 3.59Å; M57-S69 WeakPolarHBondContact O-CA 3.35Å; M57-L70 HydrophobicContact CB-CB 4.35Å; M57-L70 HydrophobicContact CB-CD1 4.43Å; M57-L70 HydrophobicContact CE-CD1 3.75Å; M57-L70 PolarHBondContact N-O 2.74Å; M57-L70 PolarHBondContact O-N 3.02Å; M57-L70 HydrophobicContact SD-CD1 4.3Å; M57-V78 HydrophobicContact CE-CG2 3.86Å; M57-V90 HydrophobicContact CG-CG2 3.78Å; M57-V90 HydrophobicContact SD-CG2 4.08Å; M57-C91 CarbonylContact C-O 3.54Å; M57-C91 VanDerWaalsContact CA-O 3.3Å; M57-C91 WeakPolarHBondContact CA-O 3.4Å; M57-F92 HydrophobicContact CB-CD1 4.04Å; M57-F92 HydrophobicContact CB-CE1 3.86Å; M57-F92 HydrophobicContact CG-CD1 4.08Å; M57-F92 HydrophobicContact CG-CE1 3.57Å; M57-F92 HydrophobicContact CG-CZ 3.91Å
58	V	97.7	Very high	93.9	Very high	37 Å²	37	50 Å²	50	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.2	176.4	-175.6	0	0	0	0	108.9	K60 V66 K68 V90 C91	V58-K60 HydrophobicContact CG1-CG 4.07Å; V58-V66 HydrophobicContact CG1-CG1 3.98Å; V58-V66 HydrophobicContact CG1-CG2 4.1Å; V58-K68 WeakPolarHBondContact CA-O 2.97Å; V58-V90 CarbonylContact O-C 3.57Å; V58-V90 WeakPolarHBondContact O-CA 3.48Å; V58-C91 PolarHBondContact N-O 3.49Å; V58-C91 PolarHBondContact O-N 2.95Å
59	L	97.5	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.9	172.6	177	66.2	0	0	0	109.8	F41 L43 M57 L67 K68 I80 K89 V90 W108	F41-L59 HydrophobicContact CE2-CD2 4.26Å; F41-L59 HydrophobicContact CZ-CD2 4.31Å; L43-L59 HydrophobicContact CD2-CB 4.35Å; L43-L59 HydrophobicContact CD2-CD1 4.15Å; L43-L59 HydrophobicContact CD2-CD2 4.04Å; L43-L59 HydrophobicContact CD2-CG 4.4Å; M57-L59 HydrophobicContact SD-CB 4.15Å; L59-L67 HydrophobicContact CD2-CB 4.3Å; L59-L67 HydrophobicContact CD2-CD1 4.27Å; L59-L67 HydrophobicContact CG-CB 4.33Å; L59-L67 HydrophobicContact CG-CD1 4.29Å; L59-L67 PolarHBondContact O-N 2.85Å; L59-K68 HydrophobicContact CB-CB 4.34Å; L59-K68 PolarHBondContact N-O 2.92Å; L59-K68 PolarHBondContact O-N 3.45Å; L59-I80 HydrophobicContact CD2-CD1 4.21Å; L59-I80 HydrophobicContact CD2-CG1 3.72Å; L59-K89 WeakPolarHBondContact CA-O 3.49Å; L59-V90 HydrophobicContact CD1-CB 4.26Å; L59-W108 HydrophobicContact CD1-CH2 3.98Å
60	K	97.2	Very high	94.4	Very high	75 Å²	75	51.1 Å²	51.1	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.4	179.1	-59.7	-173.7	-179	-174.1	0	111.7	V58 N65 V66 K89	V58-K60 HydrophobicContact CG1-CG 4.07Å; K60-N65 WeakPolarHBondContact CA-O 3.49Å; K60-V66 HydrophobicContact CD-CG2 4.44Å; K60-V66 HydrophobicContact CG-CG2 4.17Å; K60-K89 PolarHBondContact N-O 3.28Å; K60-K89 PolarHBondContact O-N 2.87Å
61	D	95	Very high	94.8	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.064	31%	0.308	C	S	.	.			trans	-78.4	173.5	171.9	78.1	-4.2	0	0	0	111.6	S63 K64 N65 L67 Y88	D61-S63 PolarHBondContact O-N 3.22Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.3Å; D61-S63 PolarHBondContact OD1-N 3.02Å; D61-K64 PolarHBondContact O-N 3.29Å; D61-K64 PolarHBondContact OD1-N 2.9Å; D61-N65 PolarHBondContact N-O 2.85Å; D61-N65 WeakPolarHBondContact OD1-CB 3.24Å; D61-N65 PolarHBondContact OD1-N 3.5Å; D61-N65 WeakPolarHBondContact OD2-CB 3.42Å; D61-N65 PolarHBondContact OD2-ND2 3.11Å; D61-L67 HydrophobicContact CB-CD1 3.97Å; D61-L67 HydrophobicContact CB-CD2 4.2Å; D61-L67 HydrophobicContact CB-CG 4.11Å; D61-Y88 HydrophobicContact CB-CE1 4.25Å
62	P	95.3	Very high	95.2	Very high	44 Å²	44	62 Å²	62	29%	0.286	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.1	175.2	-22.3	33	0	0	0	113.5	K64 V84 I87 Y88	P62-K64 PolarHBondContact O-N 3.42Å; P62-V84 HydrophobicContact CB-CG1 4.45Å; P62-V84 HydrophobicContact CG-CG1 4.33Å; P62-I87 WeakPolarHBondContact CA-O 3.36Å; P62-Y88 HydrophobicContact CG-CD2 4.12Å; P62-Y88 HydrophobicContact CG-CE2 3.99Å
63	S	94.3	Very high	95.6	Very high	70 Å²	70	57.3 Å²	57.3	49%	0.49	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.2	176.1	-62.6	0	0	0	0	113.6	D61 N65	D61-S63 PolarHBondContact O-N 3.22Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.3Å; D61-S63 PolarHBondContact OD1-N 3.02Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 WeakPolarHBondContact CB-ND2 3.42Å; S63-N65 PolarHBondContact O-N 3.33Å
64	K	92.7	Very high	95.7	Very high	174 Å²	174	57.4 Å²	57.4	76%	0.757	30%	0.296	S	S	*	.			trans	68.9	12.8	-177.9	-51.2	175	-178.7	173.6	0	115.2	D61 P62	D61-K64 PolarHBondContact O-N 3.29Å; D61-K64 PolarHBondContact OD1-N 2.9Å; P62-K64 PolarHBondContact O-N 3.42Å
65	N	95.6	Very high	95.6	Very high	92 Å²	92	59.3 Å²	59.3	49%	0.492	31%	0.311	S	S	.	.			trans	-72	138.5	170.4	-54.7	-55.4	0	0	0	109.8	K60 D61 S63 L67	K60-N65 WeakPolarHBondContact CA-O 3.49Å; D61-N65 PolarHBondContact N-O 2.85Å; D61-N65 WeakPolarHBondContact OD1-CB 3.24Å; D61-N65 PolarHBondContact OD1-N 3.5Å; D61-N65 WeakPolarHBondContact OD2-CB 3.42Å; D61-N65 PolarHBondContact OD2-ND2 3.11Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 WeakPolarHBondContact CB-ND2 3.42Å; S63-N65 PolarHBondContact O-N 3.33Å; N65-L67 PolarHBondContact O-N 2.93Å
66	V	96.4	Very high	95.6	Very high	82 Å²	82	62.6 Å²	62.6	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113.4	175.7	177.7	0	0	0	0	108.6	V58 K60	V58-V66 HydrophobicContact CG1-CG1 3.98Å; V58-V66 HydrophobicContact CG1-CG2 4.1Å; K60-V66 HydrophobicContact CD-CG2 4.44Å; K60-V66 HydrophobicContact CG-CG2 4.17Å
67	L	95.3	Very high	95.4	Very high	62 Å²	62	66.1 Å²	66.1	33%	0.325	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-41.5	177.1	-61.3	176.3	0	0	0	111.1	L59 D61 N65 I80 Y88	L59-L67 HydrophobicContact CD2-CB 4.3Å; L59-L67 HydrophobicContact CD2-CD1 4.27Å; L59-L67 HydrophobicContact CG-CB 4.33Å; L59-L67 HydrophobicContact CG-CD1 4.29Å; L59-L67 PolarHBondContact O-N 2.85Å; D61-L67 HydrophobicContact CB-CD1 3.97Å; D61-L67 HydrophobicContact CB-CD2 4.2Å; D61-L67 HydrophobicContact CB-CG 4.11Å; N65-L67 PolarHBondContact O-N 2.93Å; L67-I80 HydrophobicContact CB-CD1 4.34Å; L67-I80 HydrophobicContact CD1-CG2 4.07Å; L67-Y88 HydrophobicContact CD1-CD1 3.8Å; L67-Y88 HydrophobicContact CD1-CE1 3.43Å; L67-Y88 VanDerWaalsContact CD1-CE1 3.43Å
68	K	95.9	Very high	95.3	Very high	75 Å²	75	66.6 Å²	66.6	33%	0.326	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	133.6	177.7	-169.2	76.9	174.2	-166.9	0	109.5	V58 L59 L70 E76 V78	V58-K68 WeakPolarHBondContact CA-O 2.97Å; L59-K68 HydrophobicContact CB-CB 4.34Å; L59-K68 PolarHBondContact N-O 2.92Å; L59-K68 PolarHBondContact O-N 3.45Å; K68-L70 VanDerWaalsContact CE-CD2 3.49Å; K68-L70 HydrophobicContact CG-CD1 4.45Å; K68-L70 HydrophobicContact CG-CD2 4.46Å; K68-L70 HydrophobicContact CG-CG 4.12Å; K68-E76 IonicContact NZ-OE1 2.69Å; K68-V78 HydrophobicContact CB-CG1 4.15Å; K68-V78 HydrophobicContact CD-CG1 4.47Å; K68-V78 HydrophobicContact CG-CG1 4.15Å; K68-V78 HydrophobicContact CG-CG2 4.09Å
69	S	96.8	Very high	95.1	Very high	53 Å²	53	69.6 Å²	69.6	37%	0.371	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.8	169.7	-170.9	0	0	0	0	108	M57 H71	M57-S69 CarbonylContact O-C 3.59Å; M57-S69 WeakPolarHBondContact O-CA 3.35Å; S69-H71 PolarHBondContact OG-NE2 3.44Å
70	L	96.9	Very high	94.9	Very high	18 Å²	18	71 Å²	71	9%	0.094	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.5	177.9	-64.6	167.4	0	0	0	107.9	F45 D56 M57 K68 E76	F45-L70 HydrophobicContact CE1-CD1 3.78Å; F45-L70 HydrophobicContact CZ-CD1 4.27Å; D56-L70 CarbonylContact C-O 3.51Å; D56-L70 WeakPolarHBondContact CA-O 3.48Å; M57-L70 HydrophobicContact CB-CB 4.35Å; M57-L70 HydrophobicContact CB-CD1 4.43Å; M57-L70 HydrophobicContact CE-CD1 3.75Å; M57-L70 PolarHBondContact N-O 2.74Å; M57-L70 PolarHBondContact O-N 3.02Å; M57-L70 HydrophobicContact SD-CD1 4.3Å; K68-L70 VanDerWaalsContact CE-CD2 3.49Å; K68-L70 HydrophobicContact CG-CD1 4.45Å; K68-L70 HydrophobicContact CG-CD2 4.46Å; K68-L70 HydrophobicContact CG-CG 4.12Å; L70-E76 HydrophobicContact CD1-CB 3.67Å; L70-E76 HydrophobicContact CD1-CG 3.57Å; L70-E76 HydrophobicContact CD2-CG 4.38Å
71	H	95.4	Very high	94.6	Very high	133 Å²	133	73.7 Å²	73.7	62%	0.616	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	132.7	177.4	-64.6	-60.8	0	0	0	109.2	D56 S69 S73	D56-H71 VanDerWaalsContact OD1-CA 3.24Å; D56-H71 WeakPolarHBondContact OD1-CA 3.32Å; D56-H71 IonicContact OD1-ND1 3.99Å; S69-H71 PolarHBondContact OG-NE2 3.44Å; H71-S73 VanDerWaalsContact C-N 3.27Å; H71-S73 PolarHBondContact O-N 3.2Å; H71-S73 VanDerWaalsContact O-N 3.16Å; H71-S73 PolarHBondContact O-OG 3.17Å
72	R	93.6	Very high	94.5	Very high	161 Å²	161	73.4 Å²	73.4	61%	0.608	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	44.9	47.1	176.9	-61.3	-171.4	175.4	-168.3	-1.8	114.7	D54 V55 D56 F96	D54-R72 HydrophobicContact CB-CB 3.88Å; V55-R72 PolarHBondContact O-N 3.14Å; D56-R72 PolarHBondContact OD1-N 3Å; R72-F96 HydrophobicContact CG-CE1 4.33Å; R72-F96 HydrophobicContact CG-CZ 4.24Å
73	S	95.4	Very high	94.3	Very high	25 Å²	25	74.9 Å²	74.9	18%	0.175	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.4	-177.3	-62.4	0	0	0	0	110.7	D54 V55 H71	D54-S73 CarbonylContact C-O 3.52Å; V55-S73 PolarHBondContact N-O 2.86Å; V55-S73 PolarHBondContact O-N 3.28Å; H71-S73 VanDerWaalsContact C-N 3.27Å; H71-S73 PolarHBondContact O-N 3.2Å; H71-S73 VanDerWaalsContact O-N 3.16Å; H71-S73 PolarHBondContact O-OG 3.17Å
74	S	93.6	Very high	94.2	Very high	50 Å²	50	74 Å²	74	35%	0.35	39%	0.386	S	S	.	.	S	Bend	trans	-97.6	-30.4	-176.3	69.4	0	0	0	0	114.9	V47 Y53	V47-S74 WeakPolarHBondContact CG2-O 3.19Å; V47-S74 PolarHBondContact N-O 3.04Å; Y53-S74 WeakPolarHBondContact O-CA 3.42Å; Y53-S74 WeakPolarHBondContact O-CB 3.44Å
75	S	93.7	Very high	94.3	Very high	53 Å²	53	70.2 Å²	70.2	37%	0.371	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	137.5	175.2	177.4	0	0	0	0	107	F45 N46	F45-S75 VanDerWaalsContact O-CA 3.28Å; F45-S75 WeakPolarHBondContact O-CA 3.24Å; F45-S75 PolarHBondContact O-OG 2.87Å; N46-S75 WeakPolarHBondContact OD1-CB 3.5Å; N46-S75 PolarHBondContact OD1-OG 3.25Å
76	E	94.9	Very high	94.2	Very high	69 Å²	69	66.4 Å²	66.4	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	147.6	171.1	-172.3	78.4	176.3	0	0	108.9	A44 F45 K68 L70 V78	A44-E76 WeakPolarHBondContact CA-O 3.3Å; F45-E76 HydrophobicContact CD1-CB 4.24Å; F45-E76 HydrophobicContact CE1-CB 3.54Å; F45-E76 HydrophobicContact CZ-CB 4.01Å; F45-E76 PolarHBondContact N-O 2.96Å; F45-E76 PolarHBondContact O-N 3.43Å; K68-E76 IonicContact NZ-OE1 2.69Å; L70-E76 HydrophobicContact CD1-CB 3.67Å; L70-E76 HydrophobicContact CD1-CG 3.57Å; L70-E76 HydrophobicContact CD2-CG 4.38Å; E76-V78 HydrophobicContact CG-CG2 3.78Å
77	E	93.4	Very high	94.2	Very high	103 Å²	103	66.8 Å²	66.8	48%	0.481	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.3	167.3	-175.2	168.6	138.2	0	0	109.5	T42 L43 A44 R109	T42-E77 HydrophobicContact CG2-CG 3.33Å; T42-E77 WeakPolarHBondContact CG2-OE1 3.19Å; L43-E77 CarbonylContact O-C 3.47Å; L43-E77 WeakPolarHBondContact O-CA 3.24Å; A44-E77 HydrophobicContact CB-CB 4.29Å; A44-E77 HydrophobicContact CB-CG 4.11Å; E77-R109 IonicContact OE2-NH1 2.69Å
78	V	93.8	Very high	94.2	Very high	10 Å²	10	63.8 Å²	63.8	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115.9	-176.6	-173.2	0	0	0	0	108.9	T42 L43 M57 K68 E76 I80	T42-V78 WeakPolarHBondContact CA-O 3.26Å; L43-V78 HydrophobicContact CB-CB 4.4Å; L43-V78 PolarHBondContact N-O 3.24Å; L43-V78 PolarHBondContact O-N 3.44Å; M57-V78 HydrophobicContact CE-CG2 3.86Å; K68-V78 HydrophobicContact CB-CG1 4.15Å; K68-V78 HydrophobicContact CD-CG1 4.47Å; K68-V78 HydrophobicContact CG-CG1 4.15Å; K68-V78 HydrophobicContact CG-CG2 4.09Å; E76-V78 HydrophobicContact CG-CG2 3.78Å; V78-I80 HydrophobicContact CG1-CD1 3.78Å; V78-I80 HydrophobicContact CG1-CG1 3.94Å
79	N	93.9	Very high	94.2	Very high	101 Å²	101	63.2 Å²	63.2	54%	0.54	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.8	174.4	-62.1	-52.6	0	0	0	109.5	T42	T42-N79 VanDerWaalsContact CB-OD1 3.27Å; T42-N79 WeakPolarHBondContact CB-OD1 3.25Å; T42-N79 WeakPolarHBondContact CG2-OD1 3.45Å; T42-N79 PolarHBondContact OG1-OD1 3.22Å
80	I	92.9	Very high	94.2	Very high	28 Å²	28	60.7 Å²	60.7	14%	0.144	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.7	-177.9	-59.9	-65.6	0	0	0	109.4	S40 F41 L59 L67 V78 Y88	S40-I80 WeakPolarHBondContact CA-O 3.15Å; F41-I80 HydrophobicContact CD2-CB 4.41Å; F41-I80 HydrophobicContact CE1-CB 4Å; F41-I80 HydrophobicContact CE1-CG2 3.9Å; F41-I80 HydrophobicContact CE2-CB 3.8Å; F41-I80 HydrophobicContact CE2-CG1 3.97Å; F41-I80 HydrophobicContact CE2-CG2 4.45Å; F41-I80 HydrophobicContact CZ-CB 3.59Å; F41-I80 HydrophobicContact CZ-CG1 4Å; F41-I80 HydrophobicContact CZ-CG2 3.73Å; F41-I80 PolarHBondContact N-O 3.45Å; F41-I80 PolarHBondContact O-N 3.07Å; L59-I80 HydrophobicContact CD2-CD1 4.21Å; L59-I80 HydrophobicContact CD2-CG1 3.72Å; L67-I80 HydrophobicContact CB-CD1 4.34Å; L67-I80 HydrophobicContact CD1-CG2 4.07Å; V78-I80 HydrophobicContact CG1-CD1 3.78Å; V78-I80 HydrophobicContact CG1-CG1 3.94Å; I80-Y88 HydrophobicContact CG2-CE1 4.25Å
81	D	92.8	Very high	94.3	Very high	132 Å²	132	61.1 Å²	61.1	71%	0.706	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	127.8	167.4	-58.8	-44.5	0	0	0	109.6	S40 S83	S40-D81 WeakPolarHBondContact CB-OD1 3.48Å; D81-S83 PolarHBondContact O-N 3.02Å; D81-S83 VanDerWaalsContact O-N 3.09Å
82	V	92.6	Very high	94.4	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	29%	0.294	C	S	.	.			trans	-77.9	99.4	-173.6	-177	0	0	0	0	109.5	F35 S36 G38 D39 F41 V84 Y88	F35-V82 HydrophobicContact CB-CB 4.46Å; F35-V82 HydrophobicContact CB-CG1 3.93Å; F35-V82 HydrophobicContact CB-CG2 3.69Å; F35-V82 HydrophobicContact CG-CG2 4.19Å; S36-V82 WeakPolarHBondContact O-CB 3.32Å; S36-V82 VanDerWaalsContact O-CG1 3.25Å; S36-V82 WeakPolarHBondContact O-CG1 3.42Å; G38-V82 PolarHBondContact N-O 2.88Å; D39-V82 HydrophobicContact CB-CB 4.49Å; D39-V82 HydrophobicContact CB-CG2 4.16Å; D39-V82 WeakPolarHBondContact O-CB 3.5Å; D39-V82 VanDerWaalsContact O-CG2 3.24Å; D39-V82 WeakPolarHBondContact O-CG2 3.37Å; D39-V82 PolarHBondContact O-N 3.29Å; F41-V82 HydrophobicContact CD1-CG2 3.55Å; F41-V82 HydrophobicContact CE1-CG2 3.77Å; V82-V84 WeakPolarHBondContact CG1-O 3.31Å; V82-Y88 HydrophobicContact CG1-CE2 3.85Å
83	S	90.9	Very high	94.5	Very high	75 Å²	75	48.4 Å²	48.4	52%	0.524	27%	0.274	S	S	.	.			trans	-83.7	-30.3	178.5	58.3	0	0	0	0	113.3	D81	D81-S83 PolarHBondContact O-N 3.02Å; D81-S83 VanDerWaalsContact O-N 3.09Å
84	V	92.4	Very high	94.5	Very high	51 Å²	51	47.2 Å²	47.2	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	-125.2	128	-176.1	-178.1	0	0	0	0	108.7	P62 V82 Y88	P62-V84 HydrophobicContact CB-CG1 4.45Å; P62-V84 HydrophobicContact CG-CG1 4.33Å; V82-V84 WeakPolarHBondContact CG1-O 3.31Å; V84-Y88 WeakPolarHBondContact O-CE2 3.47Å; V84-Y88 PolarHBondContact O-OH 3.04Å
85	D	93.7	Very high	94.5	Very high	95 Å²	95	52.2 Å²	52.2	51%	0.508	28%	0.278	S	S	.	.			trans	-67.4	136.2	175.4	-175.4	50.4	0	0	0	111.1	S36 K37	S36-D85 VanDerWaalsContact CA-OD1 3.3Å; S36-D85 WeakPolarHBondContact CA-OD1 3.47Å; K37-D85 HydrophobicContact CB-CB 4.21Å
86	G	94.6	Very high	94.4	Very high	12 Å²	12	52.5 Å²	52.5	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.3	-156.2	171.1	0	0	0	0	0	114.7	F35 Y88	F35-G86 PolarHBondContact N-O 2.7Å; F35-G86 PolarHBondContact O-N 2.88Å; G86-Y88 WeakPolarHBondContact O-CD2 3.23Å
87	I	95.6	Very high	94	Very high	90 Å²	90	49.8 Å²	49.8	46%	0.462	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115	-168.8	-56	172.7	0	0	0	111.5	Y32 E33 E34 P62	Y32-I87 HydrophobicContact CD1-CG2 4.01Å; Y32-I87 HydrophobicContact CG-CG2 4.37Å; E33-I87 CarbonylContact O-C 3.6Å; E33-I87 WeakPolarHBondContact O-CA 3.49Å; E34-I87 HydrophobicContact CB-CG1 4.34Å; E34-I87 HydrophobicContact CG-CG1 4.43Å; P62-I87 WeakPolarHBondContact CA-O 3.36Å
88	Y	95.5	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.7	170.7	-76.9	-112.6	0	0	0	110	Y32 E33 F35 F41 D61 P62 L67 I80 V82 V84 G86	Y32-Y88 VanDerWaalsContact CA-O 3.31Å; Y32-Y88 WeakPolarHBondContact CA-O 3.29Å; E33-Y88 PolarHBondContact N-O 3.4Å; E33-Y88 PolarHBondContact O-N 3.01Å; F35-Y88 HydrophobicContact CB-CD2 4.24Å; F35-Y88 HydrophobicContact CB-CE2 4.29Å; F35-Y88 AromaticContact CD2-CD2 3.76Å; F35-Y88 HydrophobicContact CD2-CD2 3.76Å; F35-Y88 HydrophobicContact CD2-CE2 4.48Å; F35-Y88 HydrophobicContact CD2-CG 4Å; F35-Y88 HydrophobicContact CG-CD2 4.49Å; F41-Y88 AromaticContact CE1-CD1 3.78Å; F41-Y88 HydrophobicContact CE1-CD1 3.78Å; F41-Y88 HydrophobicContact CE1-CD2 4.49Å; F41-Y88 AromaticContact CE1-CE1 3.81Å; F41-Y88 HydrophobicContact CE1-CE1 3.81Å; F41-Y88 HydrophobicContact CE1-CG 4.12Å; F41-Y88 AromaticContact CZ-CD1 3.64Å; F41-Y88 HydrophobicContact CZ-CD1 3.64Å; F41-Y88 AromaticContact CZ-CE1 3.96Å; F41-Y88 HydrophobicContact CZ-CE1 3.96Å; F41-Y88 HydrophobicContact CZ-CG 4.21Å; D61-Y88 HydrophobicContact CB-CE1 4.25Å; P62-Y88 HydrophobicContact CG-CD2 4.12Å; P62-Y88 HydrophobicContact CG-CE2 3.99Å; L67-Y88 HydrophobicContact CD1-CD1 3.8Å; L67-Y88 HydrophobicContact CD1-CE1 3.43Å; L67-Y88 VanDerWaalsContact CD1-CE1 3.43Å; I80-Y88 HydrophobicContact CG2-CE1 4.25Å; V82-Y88 HydrophobicContact CG1-CE2 3.85Å; V84-Y88 WeakPolarHBondContact O-CE2 3.47Å; V84-Y88 PolarHBondContact O-OH 3.04Å; G86-Y88 WeakPolarHBondContact O-CD2 3.23Å
89	K	96.1	Very high	93.1	Very high	63 Å²	63	54.5 Å²	54.5	27%	0.274	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	-176.1	176.1	-177.6	-179.6	145.1	0	110.2	C30 F31 Y32 L59 K60 C91	C30-K89 HydrophobicContact CB-CG 4.41Å; C30-K89 VanDerWaalsContact SG-CE 3.56Å; F31-K89 WeakPolarHBondContact O-CA 3.39Å; Y32-K89 HydrophobicContact CD1-CB 3.93Å; Y32-K89 HydrophobicContact CD1-CD 4.39Å; Y32-K89 HydrophobicContact CD1-CG 3.97Å; Y32-K89 HydrophobicContact CE1-CB 3.95Å; Y32-K89 HydrophobicContact CE1-CD 3.56Å; Y32-K89 HydrophobicContact CE1-CG 3.56Å; Y32-K89 WeakPolarHBondContact OH-CE 3.03Å; Y32-K89 PolarHBondContact OH-NZ 3.29Å; L59-K89 WeakPolarHBondContact CA-O 3.49Å; K60-K89 PolarHBondContact N-O 3.28Å; K60-K89 PolarHBondContact O-N 2.87Å; K89-C91 WeakPolarHBondContact CE-SG 2.96Å
90	V	97.1	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.7	167.5	68.5	0	0	0	0	109.4	C30 F31 L43 M57 V58 L59 F92 M106 W108	C30-V90 CarbonylContact C-O 3.46Å; C30-V90 WeakPolarHBondContact CA-O 3.15Å; C30-V90 WeakPolarHBondContact CB-O 3.27Å; F31-V90 HydrophobicContact CB-CG1 3.86Å; F31-V90 HydrophobicContact CD2-CG1 4.41Å; F31-V90 PolarHBondContact N-O 3.39Å; F31-V90 PolarHBondContact O-N 3.41Å; L43-V90 HydrophobicContact CD2-CB 4.38Å; L43-V90 HydrophobicContact CD2-CG2 3.89Å; M57-V90 HydrophobicContact CG-CG2 3.78Å; M57-V90 HydrophobicContact SD-CG2 4.08Å; V58-V90 CarbonylContact O-C 3.57Å; V58-V90 WeakPolarHBondContact O-CA 3.48Å; L59-V90 HydrophobicContact CD1-CB 4.26Å; V90-F92 HydrophobicContact CB-CE2 4.44Å; V90-F92 HydrophobicContact CG1-CE2 3.97Å; V90-F92 HydrophobicContact CG2-CD2 4.3Å; V90-F92 HydrophobicContact CG2-CE2 3.59Å; V90-F92 HydrophobicContact CG2-CZ 3.8Å; V90-M106 HydrophobicContact CG1-SD 4.26Å; V90-M106 HydrophobicContact CG2-SD 4.47Å; V90-W108 HydrophobicContact CB-CH2 4.19Å; V90-W108 HydrophobicContact CB-CZ2 3.94Å; V90-W108 HydrophobicContact CG1-CH2 4.23Å; V90-W108 HydrophobicContact CG1-CZ2 3.48Å; V90-W108 VanDerWaalsContact CG1-CZ2 3.48Å
91	C	97.5	Very high	92.9	Very high	27 Å²	27	54.7 Å²	54.7	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	172.7	-66.7	0	0	0	0	110.4	Q29 C30 M57 V58 K89	Q29-C91 CarbonylContact O-C 3.59Å; Q29-C91 WeakPolarHBondContact O-CA 3.36Å; C30-C91 HydrophobicContact CB-CB 4.11Å; C30-C91 WeakPolarHBondContact CB-SG 3.43Å; C30-C91 WeakPolarHBondContact SG-CB 3.31Å; C30-C91 CovalentContact SG-SG 2.05Å; C30-C91 PolarHBondContact SG-SG 3.39Å; M57-C91 CarbonylContact C-O 3.54Å; M57-C91 VanDerWaalsContact CA-O 3.3Å; M57-C91 WeakPolarHBondContact CA-O 3.4Å; V58-C91 PolarHBondContact N-O 3.49Å; V58-C91 PolarHBondContact O-N 2.95Å; K89-C91 WeakPolarHBondContact CE-SG 2.96Å
92	F	97.7	Very high	93	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134	170.6	-66	-83.7	0	0	0	109	F21 L23 G28 Q29 F31 F45 V55 D56 M57 V90 V104 M106	F21-F92 HydrophobicContact CE1-CD2 4.2Å; F21-F92 HydrophobicContact CE1-CE2 4.47Å; F21-F92 HydrophobicContact CE2-CB 4.39Å; F21-F92 HydrophobicContact CZ-CB 4.02Å; F21-F92 AromaticContact CZ-CD2 3.61Å; F21-F92 HydrophobicContact CZ-CD2 3.61Å; F21-F92 HydrophobicContact CZ-CE2 4.28Å; F21-F92 AromaticContact CZ-CG 3.84Å; F21-F92 HydrophobicContact CZ-CG 3.84Å; L23-F92 HydrophobicContact CD2-CB 4Å; G28-F92 CarbonylContact C-O 3.6Å; G28-F92 WeakPolarHBondContact CA-O 3.45Å; Q29-F92 PolarHBondContact N-O 3.21Å; Q29-F92 PolarHBondContact O-N 3.48Å; F31-F92 HydrophobicContact CD2-CD2 4.27Å; F31-F92 HydrophobicContact CD2-CE2 4.46Å; F31-F92 HydrophobicContact CE2-CD2 4.36Å; F45-F92 HydrophobicContact CB-CE1 3.87Å; F45-F92 HydrophobicContact CB-CZ 3.91Å; F45-F92 AromaticContact CD1-CE1 3.91Å; F45-F92 HydrophobicContact CD1-CE1 3.91Å; F45-F92 HydrophobicContact CD1-CZ 4.35Å; F45-F92 AromaticContact CD2-CE1 3.99Å; F45-F92 HydrophobicContact CD2-CE1 3.99Å; F45-F92 HydrophobicContact CE1-CE1 4.45Å; F45-F92 AromaticContact CG-CE1 3.65Å; F45-F92 HydrophobicContact CG-CE1 3.65Å; F45-F92 HydrophobicContact CG-CZ 4.14Å; V55-F92 HydrophobicContact CG2-CD1 4.12Å; D56-F92 CarbonylContact O-C 3.59Å; D56-F92 WeakPolarHBondContact O-CA 3.42Å; M57-F92 HydrophobicContact CB-CD1 4.04Å; M57-F92 HydrophobicContact CB-CE1 3.86Å; M57-F92 HydrophobicContact CG-CD1 4.08Å; M57-F92 HydrophobicContact CG-CE1 3.57Å; M57-F92 HydrophobicContact CG-CZ 3.91Å; V90-F92 HydrophobicContact CB-CE2 4.44Å; V90-F92 HydrophobicContact CG1-CE2 3.97Å; V90-F92 HydrophobicContact CG2-CD2 4.3Å; V90-F92 HydrophobicContact CG2-CE2 3.59Å; V90-F92 HydrophobicContact CG2-CZ 3.8Å; F92-V104 HydrophobicContact CD1-CG1 4.34Å; F92-V104 HydrophobicContact CE1-CG1 4.34Å; F92-M106 HydrophobicContact CE2-CG 4.32Å; F92-M106 HydrophobicContact CE2-SD 3.47Å; F92-M106 WeakPolarHBondContact CE2-SD 3.46Å; F92-M106 HydrophobicContact CZ-CE 4.31Å; F92-M106 HydrophobicContact CZ-SD 3.32Å; F92-M106 WeakPolarHBondContact CZ-SD 3.41Å
93	S	96.3	Very high	93.2	Very high	27 Å²	27	50.8 Å²	50.8	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.6	178.2	91.1	0	0	0	0	112.7	D56	D56-S93 WeakPolarHBondContact CB-OG 3.43Å; D56-S93 PolarHBondContact N-O 2.91Å; D56-S93 VanDerWaalsContact N-O 3.12Å; D56-S93 PolarHBondContact O-N 3.18Å
94	N	95.1	Very high	93.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.			trans	-124.6	30.4	179.5	-169.5	32.6	0	0	0	110.8	L23 E24 R26 S27 F96 S97 S100 K102	L23-N94 HydrophobicContact CD2-CB 3.71Å; L23-N94 HydrophobicContact CG-CB 3.77Å; E24-N94 PolarHBondContact O-ND2 2.96Å; R26-N94 PolarHBondContact N-O 3.47Å; S27-N94 PolarHBondContact O-N 3.19Å; N94-F96 PolarHBondContact O-N 2.65Å; N94-F96 VanDerWaalsContact O-N 3.11Å; N94-S97 PolarHBondContact O-N 2.82Å; N94-S97 VanDerWaalsContact O-N 3.13Å; N94-S97 WeakPolarHBondContact OD1-CB 3.32Å; N94-S97 PolarHBondContact OD1-OG 2.96Å; N94-S100 PolarHBondContact ND2-O 2.95Å; N94-K102 WeakPolarHBondContact OD1-CD 3.26Å; N94-K102 WeakPolarHBondContact OD1-CE 3.43Å; N94-K102 PolarHBondContact OD1-NZ 2.81Å
95	Y	93.8	Very high	93.5	Very high	155 Å²	155	44.9 Å²	44.9	61%	0.608	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.5	-177	-78.9	-69.2	0	0	0	114.2	R26	R26-Y95 VanDerWaalsContact O-CD1 3.22Å; R26-Y95 WeakPolarHBondContact O-CD1 3.47Å; R26-Y95 WeakPolarHBondContact O-CE1 3.29Å
96	F	91.2	Very high	93.6	Very high	59 Å²	59	40.5 Å²	40.5	26%	0.259	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.3	-178.5	61.6	-95.2	0	0	0	113.9	D54 R72 N94	D54-F96 HydrophobicContact CB-CE2 4.44Å; D54-F96 HydrophobicContact CB-CZ 4.11Å; D54-F96 VanDerWaalsContact CG-CE2 3.5Å; D54-F96 WeakPolarHBondContact O-CZ 3.36Å; D54-F96 WeakPolarHBondContact OD1-CE2 3.44Å; D54-F96 WeakPolarHBondContact OD1-CZ 3.32Å; R72-F96 HydrophobicContact CG-CE1 4.33Å; R72-F96 HydrophobicContact CG-CZ 4.24Å; N94-F96 PolarHBondContact O-N 2.65Å; N94-F96 VanDerWaalsContact O-N 3.11Å
97	S	86.8	Confident	93.5	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	21%	0.208	C	C	.	.			trans	-89.8	123.2	174.7	-55.5	0	0	0	0	109.1	R26 N94 S100 K102	R26-S97 PolarHBondContact N-O 3.36Å; N94-S97 PolarHBondContact O-N 2.82Å; N94-S97 VanDerWaalsContact O-N 3.13Å; N94-S97 WeakPolarHBondContact OD1-CB 3.32Å; N94-S97 PolarHBondContact OD1-OG 2.96Å; S97-S100 WeakPolarHBondContact CB-O 3.45Å; S97-K102 PolarHBondContact OG-NZ 2.83Å
98	S	84.5	Confident	93.3	Very high	65 Å²	65	37.3 Å²	37.3	46%	0.455	19%	0.19	S	C	.	.	S	Bend	trans	-92.5	-12.5	-177.9	52.2	0	0	0	0	114.6
99	I	85.3	Confident	92.9	Very high	147 Å²	147	39.5 Å²	39.5	75%	0.754	20%	0.198	S	C	*	.	S	Bend	trans	-140	-31.9	-169.9	-60.3	173.6	0	0	0	111.9
100	S	88.9	Confident	92.3	Very high	40 Å²	40	40.6 Å²	40.6	28%	0.28	21%	0.207	S	C	.	.			trans	-102.9	119.3	-173.3	56.8	0	0	0	0	112.2	N94 S97	N94-S100 PolarHBondContact ND2-O 2.95Å; S97-S100 WeakPolarHBondContact CB-O 3.45Å
101	H	93.5	Very high	91.1	Very high	92 Å²	92	41.6 Å²	41.6	43%	0.426	21%	0.214	S	C	.	.			trans	-71.5	160.6	162.6	62.8	-93.9	0	0	0	110.1	E22 L23 G50	E22-H101 HydrophobicContact CG-CB 4.49Å; E22-H101 IonicContact OE1-CD2 3.97Å; E22-H101 PolarHBondContact OE1-CD2 2.74Å; E22-H101 VanDerWaalsContact OE1-CD2 3.26Å; E22-H101 IonicContact OE1-CG 3.83Å; E22-H101 IonicContact OE1-ND1 3.51Å; E22-H101 IonicContact OE1-NE2 3.79Å; L23-H101 WeakPolarHBondContact O-CA 3.44Å; G50-H101 WeakPolarHBondContact CA-O 3.36Å
102	K	94.9	Very high	89.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.7	-178.4	-70.1	174.3	-177.3	158.5	0	110.9	E22 L23 V47 S49 D54 V55 N94 S97 V104	E22-K102 CarbonylContact C-O 3.6Å; E22-K102 WeakPolarHBondContact CA-O 3.47Å; L23-K102 PolarHBondContact N-O 2.94Å; L23-K102 PolarHBondContact O-N 2.85Å; V47-K102 HydrophobicContact CG1-CB 4.36Å; V47-K102 HydrophobicContact CG1-CD 4.5Å; S49-K102 VanDerWaalsContact O-CA 3.3Å; S49-K102 WeakPolarHBondContact O-CA 3.47Å; D54-K102 WeakPolarHBondContact O-CD 3.41Å; D54-K102 WeakPolarHBondContact O-CE 3.36Å; D54-K102 PolarHBondContact O-NZ 3.09Å; D54-K102 WeakPolarHBondContact OD1-CE 3.25Å; D54-K102 IonicContact OD1-NZ 3.8Å; D54-K102 PolarHBondContact OD1-NZ 3.47Å; V55-K102 HydrophobicContact CG1-CD 3.8Å; N94-K102 WeakPolarHBondContact OD1-CD 3.26Å; N94-K102 WeakPolarHBondContact OD1-CE 3.43Å; N94-K102 PolarHBondContact OD1-NZ 2.81Å; S97-K102 PolarHBondContact OG-NZ 2.83Å; K102-V104 HydrophobicContact CB-CG2 4.47Å
103	I	95.2	Very high	87.2	Confident	56 Å²	56	47.4 Å²	47.4	29%	0.287	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118	171.9	-58.7	176.6	0	0	0	107.3	T20 I48 S49	T20-I103 HydrophobicContact CG2-CG2 3.55Å; I48-I103 HydrophobicContact CB-CB 4.41Å; I48-I103 HydrophobicContact CB-CG2 4.26Å; I48-I103 HydrophobicContact CD1-CG2 4.28Å; I48-I103 PolarHBondContact N-O 3.38Å; S49-I103 PolarHBondContact O-N 2.94Å
104	V	96	Very high	85.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.3	-176.4	-173.9	0	0	0	0	108.8	T20 F21 L23 F45 V47 V55 F92 K102	T20-V104 WeakPolarHBondContact CA-O 3.4Å; F21-V104 WeakPolarHBondContact CD1-O 3.33Å; F21-V104 HydrophobicContact CE1-CB 3.91Å; F21-V104 HydrophobicContact CE1-CG1 4.08Å; F21-V104 HydrophobicContact CE2-CB 4.19Å; F21-V104 HydrophobicContact CZ-CB 3.7Å; F21-V104 HydrophobicContact CZ-CG1 3.98Å; F21-V104 HydrophobicContact CZ-CG2 4.34Å; F21-V104 PolarHBondContact N-O 2.99Å; F21-V104 PolarHBondContact O-N 3.06Å; L23-V104 HydrophobicContact CB-CG2 4.48Å; L23-V104 HydrophobicContact CD2-CG2 4.45Å; F45-V104 HydrophobicContact CB-CG1 4.42Å; F45-V104 HydrophobicContact CD2-CG1 4.39Å; V47-V104 HydrophobicContact CG2-CG2 4.37Å; V55-V104 HydrophobicContact CG1-CG2 3.95Å; F92-V104 HydrophobicContact CD1-CG1 4.34Å; F92-V104 HydrophobicContact CE1-CG1 4.34Å; K102-V104 HydrophobicContact CB-CG2 4.47Å
105	S	95	Very high	83	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.1	168.7	174.7	0	0	0	0	109.1	F45 N46	F45-S105 CarbonylContact C-O 3.58Å; F45-S105 WeakPolarHBondContact CA-O 3.4Å; N46-S105 PolarHBondContact N-O 3.41Å; N46-S105 PolarHBondContact O-N 2.79Å
106	M	94.8	Very high	80.9	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.1	179.8	170.1	87.3	-81.5	0	0	109.2	S18 L19 F21 L43 A44 F45 V90 F92	S18-M106 CarbonylContact C-O 3.45Å; S18-M106 VanDerWaalsContact CA-O 3.26Å; S18-M106 WeakPolarHBondContact CA-O 3.04Å; L19-M106 PolarHBondContact N-O 3.33Å; L19-M106 PolarHBondContact O-N 2.76Å; F21-M106 HydrophobicContact CE1-CB 4.29Å; L43-M106 HydrophobicContact CD1-CE 3.07Å; L43-M106 HydrophobicContact CD1-SD 3.29Å; L43-M106 WeakPolarHBondContact CD1-SD 3.2Å; L43-M106 HydrophobicContact CG-CE 3.49Å; L43-M106 VanDerWaalsContact CG-CE 3.49Å; L43-M106 HydrophobicContact CG-SD 4.11Å; A44-M106 WeakPolarHBondContact O-CE 3.32Å; F45-M106 HydrophobicContact CB-CE 3.78Å; F45-M106 HydrophobicContact CB-SD 4.4Å; V90-M106 HydrophobicContact CG1-SD 4.26Å; V90-M106 HydrophobicContact CG2-SD 4.47Å; F92-M106 HydrophobicContact CE2-CG 4.32Å; F92-M106 HydrophobicContact CE2-SD 3.47Å; F92-M106 WeakPolarHBondContact CE2-SD 3.46Å; F92-M106 HydrophobicContact CZ-CE 4.31Å; F92-M106 HydrophobicContact CZ-SD 3.32Å; F92-M106 WeakPolarHBondContact CZ-SD 3.41Å
107	T	92.9	Very high	78.6	Confident	11 Å²	11	57.5 Å²	57.5	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.8	170.6	-175.3	0	0	0	0	112.6	N17 A44 F147	N17-T107 VanDerWaalsContact O-CA 3.25Å; N17-T107 WeakPolarHBondContact O-CA 3.16Å; N17-T107 PolarHBondContact O-OG1 3.11Å; A44-T107 HydrophobicContact CB-CG2 3.85Å; A44-T107 PolarHBondContact N-O 3.02Å; A44-T107 WeakPolarHBondContact O-CG2 3.49Å; A44-T107 PolarHBondContact O-N 2.83Å; T107-F147 HydrophobicContact CG2-CE1 4.38Å
108	W	91.4	Very high	76.7	Confident	24 Å²	24	61.2 Å²	61.2	9%	0.091	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.6	171.8	-62.1	96.8	0	0	0	109	N17 E33 F35 F41 L43 L59 V90	N17-W108 WeakPolarHBondContact CB-O 3.28Å; N17-W108 PolarHBondContact ND2-O 3.07Å; N17-W108 PolarHBondContact O-N 2.89Å; E33-W108 HydrophobicContact CB-CD2 4.49Å; E33-W108 HydrophobicContact CB-CZ2 4.44Å; F35-W108 AromaticContact CE2-CE3 3.87Å; F35-W108 HydrophobicContact CE2-CE3 3.87Å; F35-W108 AromaticContact CE2-CZ3 3.73Å; F35-W108 HydrophobicContact CE2-CZ3 3.73Å; F35-W108 HydrophobicContact CZ-CD2 4.39Å; F35-W108 AromaticContact CZ-CE3 3.66Å; F35-W108 HydrophobicContact CZ-CE3 3.66Å; F35-W108 HydrophobicContact CZ-CZ3 4.02Å; F41-W108 AromaticContact CD2-CE3 3.75Å; F41-W108 HydrophobicContact CD2-CE3 3.75Å; F41-W108 AromaticContact CD2-CZ3 3.69Å; F41-W108 HydrophobicContact CD2-CZ3 3.69Å; F41-W108 AromaticContact CE2-CE3 3.98Å; F41-W108 HydrophobicContact CE2-CE3 3.98Å; F41-W108 HydrophobicContact CE2-CH2 4.49Å; F41-W108 AromaticContact CE2-CZ3 3.41Å; F41-W108 HydrophobicContact CE2-CZ3 3.41Å; F41-W108 VanDerWaalsContact CE2-CZ3 3.41Å; F41-W108 HydrophobicContact CG-CE3 4.47Å; F41-W108 AromaticContact CZ-CZ3 4Å; F41-W108 HydrophobicContact CZ-CZ3 4Å; L43-W108 HydrophobicContact CB-CE3 4.3Å; L43-W108 HydrophobicContact CB-CZ3 4.28Å; L43-W108 HydrophobicContact CD1-CD2 3.55Å; L43-W108 VanDerWaalsContact CD1-CE2 3.49Å; L43-W108 HydrophobicContact CD1-CE3 3.54Å; L43-W108 HydrophobicContact CD1-CG 4.42Å; L43-W108 HydrophobicContact CD1-CH2 3.52Å; L43-W108 HydrophobicContact CD1-CZ2 3.49Å; L43-W108 VanDerWaalsContact CD1-CZ2 3.49Å; L43-W108 HydrophobicContact CD1-CZ3 3.55Å; L43-W108 HydrophobicContact CD2-CH2 4.41Å; L43-W108 HydrophobicContact CG-CZ3 4.38Å; L59-W108 HydrophobicContact CD1-CH2 3.98Å; V90-W108 HydrophobicContact CB-CH2 4.19Å; V90-W108 HydrophobicContact CB-CZ2 3.94Å; V90-W108 HydrophobicContact CG1-CH2 4.23Å; V90-W108 HydrophobicContact CG1-CZ2 3.48Å; V90-W108 VanDerWaalsContact CG1-CZ2 3.48Å
109	R	87	Confident	74.7	Confident	45 Å²	45	64.6 Å²	64.6	17%	0.17	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.8	176.8	-48.7	177.7	179.9	120.5	-2.4	108.3	F41 T42 E77 S111 E148	F41-R109 CarbonylContact C-O 3.4Å; F41-R109 WeakPolarHBondContact CA-O 3.2Å; F41-R109 WeakPolarHBondContact CB-O 3.37Å; T42-R109 PolarHBondContact N-O 3.38Å; T42-R109 PolarHBondContact O-N 3.36Å; E77-R109 IonicContact OE2-NH1 2.69Å; R109-S111 PolarHBondContact O-N 2.99Å; R109-E148 IonicContact CZ-OE1 3.43Å; R109-E148 IonicContact NH2-OE1 3.26Å; R109-E148 PolarHBondContact NH2-OE1 2.92Å
110	N	83.1	Confident	72.7	Confident	86 Å²	86	62.8 Å²	62.8	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.4	170.2	-67.5	-4	0	0	0	107.9	S112	N110-S112 PolarHBondContact O-N 3.31Å
111	S	71.8	Confident	70.6	Confident	22 Å²	22	65.9 Å²	65.9	15%	0.154	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.2	174	46	0	0	0	0	112.7	S40 F41 R109 F113 N114	S40-S111 WeakPolarHBondContact CA-OG 3.45Å; S40-S111 WeakPolarHBondContact CB-OG 3.28Å; S40-S111 PolarHBondContact O-N 3Å; S40-S111 PolarHBondContact O-OG 2.69Å; S40-S111 PolarHBondContact OG-OG 2.63Å; F41-S111 PolarHBondContact N-OG 2.95Å; R109-S111 PolarHBondContact O-N 2.99Å; S111-F113 CarbonylContact O-C 3.58Å; S111-F113 PolarHBondContact O-N 2.86Å; S111-N114 PolarHBondContact O-N 2.81Å; S111-N114 PolarHBondContact O-ND2 2.82Å; S111-N114 PolarHBondContact O-OD1 2.87Å
112	S	60.7	Low	68.5	Low	66 Å²	66	65.1 Å²	65.1	46%	0.462	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.3	168.1	-50.4	0	0	0	0	113.1	D39 N110 N114	D39-S112 PolarHBondContact OD1-OG 2.96Å; N110-S112 PolarHBondContact O-N 3.31Å; S112-N114 PolarHBondContact O-N 2.88Å
113	F	53.5	Low	66.5	Low	83 Å²	83	71.4 Å²	71.4	36%	0.364	42%	0.42	S	S	.	.			trans	-83.1	54.5	161.3	-164	-98.1	0	0	0	111.4	S111 P115 Y133 H136 A137	S111-F113 CarbonylContact O-C 3.58Å; S111-F113 PolarHBondContact O-N 2.86Å; F113-P115 WeakPolarHBondContact O-CD 3.21Å; F113-Y133 HydrophobicContact CE2-CE2 4.16Å; F113-Y133 HydrophobicContact CZ-CE2 4.27Å; F113-H136 AromaticContact CE2-CE1 3.69Å; F113-H136 AromaticContact CE2-ND1 3.43Å; F113-H136 WeakPolarHBondContact CE2-ND1 3.3Å; F113-H136 AromaticContact CZ-CE1 3.77Å; F113-H136 AromaticContact CZ-ND1 3.17Å; F113-H136 WeakPolarHBondContact CZ-ND1 3.39Å; F113-A137 HydrophobicContact CE1-CB 4.01Å; F113-A137 HydrophobicContact CZ-CB 4.17Å
114	N	51.8	Low	64.5	Low	102 Å²	102	76.7 Å²	76.7	55%	0.545	44%	0.443	S	S	.	.			trans	-85.8	120.6	170.9	-87.2	-32.2	0	0	0	109.1	S111 S112 S116	S111-N114 PolarHBondContact O-N 2.81Å; S111-N114 PolarHBondContact O-ND2 2.82Å; S111-N114 PolarHBondContact O-OD1 2.87Å; S112-N114 PolarHBondContact O-N 2.88Å; N114-S116 PolarHBondContact O-N 2.92Å
115	P	51.1	Low	62.6	Low	61 Å²	61	80.5 Å²	80.5	40%	0.396	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-3.8	-168.8	-28.1	35.9	0	0	0	118.7	F113 Y133	F113-P115 WeakPolarHBondContact O-CD 3.21Å; P115-Y133 VanDerWaalsContact CA-OH 3.24Å; P115-Y133 WeakPolarHBondContact CA-OH 3.48Å; P115-Y133 HydrophobicContact CB-CE1 4.43Å
116	S	48.6	Very low	61.4	Low	103 Å²	103	82.1 Å²	82.1	72%	0.72	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-4.7	-158.9	53.7	0	0	0	0	117.2	N114	N114-S116 PolarHBondContact O-N 2.92Å
117	E	43.8	Very low	60.6	Low	186 Å²	186	88 Å²	88	87%	0.869	51%	0.507	S	S	*	.	S	Bend	trans	-117.2	13.4	-166.4	-155.6	148.9	-166	0	0	117.1
118	S	46	Very low	60.1	Low	91 Å²	91	93.2 Å²	93.2	64%	0.636	53%	0.534	S	S	*	.			trans	-119	62.5	172.3	58.7	0	0	0	0	112.8
119	T	43.8	Very low	59.8	Low	135 Å²	135	95.2 Å²	95.2	83%	0.828	55%	0.551	S	S	*	*			trans	-124.1	83.2	168.4	-51.7	0	0	0	0	110.6
120	S	43.6	Very low	59.7	Low	109 Å²	109	98.4 Å²	98.4	76%	0.762	57%	0.568	S	S	*	*			trans	-165.2	87.3	153.5	48.2	0	0	0	0	111.2
121	S	43.2	Very low	59.9	Low	105 Å²	105	97.4 Å²	97.4	73%	0.734	57%	0.568	S	S	*	*	S	Bend	trans	164.2	128.5	137.5	43.3	0	0	0	0	114.2
122	S	49.9	Very low	60.8	Low	76 Å²	76	101.5 Å²	101.5	53%	0.531	59%	0.587	S	S	.	*			trans	90	86.2	158.9	68.5	0	0	0	0	121.5	H124 S125 T126	S122-H124 PolarHBondContact O-N 2.94Å; S122-S125 PolarHBondContact O-OG 2.8Å; S122-T126 VanDerWaalsContact C-CG2 3.42Å; S122-T126 WeakPolarHBondContact O-CG2 3.39Å; S122-T126 PolarHBondContact O-N 3.01Å; S122-T126 PolarHBondContact O-OG1 3.23Å
123	D	54	Low	61.8	Low	132 Å²	132	101.6 Å²	101.6	71%	0.706	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-4.4	-163.3	-66	-43.1	0	0	0	122	T126	D123-T126 WeakPolarHBondContact CA-OG1 3.49Å; D123-T126 PolarHBondContact O-OG1 2.93Å
124	H	53.3	Low	63.6	Low	167 Å²	167	101.4 Å²	101.4	77%	0.773	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	-38.6	179.6	-72.3	-58.1	0	0	0	113.8	S122 T126	S122-H124 PolarHBondContact O-N 2.94Å; H124-T126 PolarHBondContact O-N 2.71Å
125	S	56.1	Low	65.4	Low	81 Å²	81	101.4 Å²	101.4	57%	0.566	58%	0.58	S	S	*	*	H	α-helix	trans	-67	-25	164.3	28.6	0	0	0	0	111.7	S122 S129	S122-S125 PolarHBondContact O-OG 2.8Å; S125-S129 PolarHBondContact O-N 3.01Å; S125-S129 PolarHBondContact O-OG 3.42Å
126	T	69	Low	67.2	Low	36 Å²	36	103.5 Å²	103.5	22%	0.221	58%	0.584	C	S	.	*	H	α-helix	trans	-64.6	-37	-178.8	49.1	0	0	0	0	114.1	S122 D123 H124 I128 S129 E130	S122-T126 VanDerWaalsContact C-CG2 3.42Å; S122-T126 WeakPolarHBondContact O-CG2 3.39Å; S122-T126 PolarHBondContact O-N 3.01Å; S122-T126 PolarHBondContact O-OG1 3.23Å; D123-T126 WeakPolarHBondContact CA-OG1 3.49Å; D123-T126 PolarHBondContact O-OG1 2.93Å; H124-T126 PolarHBondContact O-N 2.71Å; T126-I128 PolarHBondContact O-N 3.01Å; T126-S129 WeakPolarHBondContact CA-OG 3.08Å; T126-S129 PolarHBondContact O-N 3.31Å; T126-S129 PolarHBondContact O-OG 2.95Å; T126-E130 WeakPolarHBondContact O-CA 3.19Å; T126-E130 WeakPolarHBondContact O-CB 3.11Å; T126-E130 PolarHBondContact O-N 3.45Å
127	Q	78.4	Confident	69	Low	127 Å²	127	98.9 Å²	98.9	59%	0.593	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-43.2	-174.6	-67.2	-177.4	35.8	0	0	112.5	S131	Q127-S131 WeakPolarHBondContact O-CB 3.44Å; Q127-S131 PolarHBondContact O-N 3.48Å
128	I	82.8	Confident	71.1	Confident	121 Å²	121	94.2 Å²	94.2	62%	0.621	54%	0.537	S	S	*	.	H	α-helix	trans	-69.1	-43.9	175.5	-63.8	175.9	0	0	0	109.6	T126 E130 S131 L132	T126-I128 PolarHBondContact O-N 3.01Å; I128-E130 VanDerWaalsContact C-N 3.29Å; I128-E130 PolarHBondContact O-N 3.47Å; I128-S131 PolarHBondContact O-N 3.31Å; I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.25Å; I128-L132 WeakPolarHBondContact O-CB 3.41Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.12Å; I128-L132 PolarHBondContact O-N 2.9Å
129	S	84.1	Confident	73.3	Confident	65 Å²	65	93.8 Å²	93.8	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-36	178.3	62.9	0	0	0	0	112.3	S125 T126 Y133	S125-S129 PolarHBondContact O-N 3.01Å; S125-S129 PolarHBondContact O-OG 3.42Å; T126-S129 WeakPolarHBondContact CA-OG 3.08Å; T126-S129 PolarHBondContact O-N 3.31Å; T126-S129 PolarHBondContact O-OG 2.95Å; S129-Y133 WeakPolarHBondContact O-CB 3.48Å; S129-Y133 PolarHBondContact O-N 3.39Å
130	E	85.3	Confident	75.3	Confident	113 Å²	113	89 Å²	89	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-44.8	176.3	-178.9	-177.3	-179.6	0	0	110.7	T126 I128 Y133 N134	T126-E130 WeakPolarHBondContact O-CA 3.19Å; T126-E130 WeakPolarHBondContact O-CB 3.11Å; T126-E130 PolarHBondContact O-N 3.45Å; I128-E130 VanDerWaalsContact C-N 3.29Å; I128-E130 PolarHBondContact O-N 3.47Å; E130-Y133 PolarHBondContact O-N 3.06Å; E130-N134 WeakPolarHBondContact O-CB 3.13Å; E130-N134 VanDerWaalsContact O-CG 3.25Å; E130-N134 PolarHBondContact O-N 3.47Å; E130-N134 PolarHBondContact O-ND2 3.25Å
131	S	87.8	Confident	77.4	Confident	65 Å²	65	90.5 Å²	90.5	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-61	-46.6	174.4	-176.4	0	0	0	0	111.6	Q127 I128 Y133 N134 L135	Q127-S131 WeakPolarHBondContact O-CB 3.44Å; Q127-S131 PolarHBondContact O-N 3.48Å; I128-S131 PolarHBondContact O-N 3.31Å; S131-Y133 VanDerWaalsContact C-N 3.32Å; S131-Y133 PolarHBondContact O-N 3Å; S131-N134 PolarHBondContact O-N 3.41Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 VanDerWaalsContact O-CG 3.32Å; S131-L135 WeakPolarHBondContact O-CG 3.49Å; S131-L135 PolarHBondContact O-N 2.89Å
132	L	89	Confident	79.7	Confident	108 Å²	108	87.5 Å²	87.5	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-61.8	-40.3	175.8	-72.9	174.2	0	0	0	111.8	I128 L135 H136	I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.25Å; I128-L132 WeakPolarHBondContact O-CB 3.41Å; I128-L132 VanDerWaalsContact O-CG 3.29Å; I128-L132 WeakPolarHBondContact O-CG 3.12Å; I128-L132 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.5Å; L132-H136 WeakPolarHBondContact O-CB 3Å; L132-H136 PolarHBondContact O-N 3.28Å
133	Y	83.7	Confident	81.5	Confident	67 Å²	67	88.7 Å²	88.7	26%	0.263	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-46.3	176.6	-175.5	-99.5	0	0	0	112	F113 P115 S129 E130 S131 L135 H136 A137	F113-Y133 HydrophobicContact CE2-CE2 4.16Å; F113-Y133 HydrophobicContact CZ-CE2 4.27Å; P115-Y133 VanDerWaalsContact CA-OH 3.24Å; P115-Y133 WeakPolarHBondContact CA-OH 3.48Å; P115-Y133 HydrophobicContact CB-CE1 4.43Å; S129-Y133 WeakPolarHBondContact O-CB 3.48Å; S129-Y133 PolarHBondContact O-N 3.39Å; E130-Y133 PolarHBondContact O-N 3.06Å; S131-Y133 VanDerWaalsContact C-N 3.32Å; S131-Y133 PolarHBondContact O-N 3Å; Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 2.85Å; Y133-H136 PolarHBondContact O-N 2.79Å; Y133-A137 WeakPolarHBondContact O-CB 3.5Å; Y133-A137 PolarHBondContact O-N 2.86Å
134	N	89.5	Confident	83	Confident	80 Å²	80	85.2 Å²	85.2	43%	0.428	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-39.7	176.4	-74.8	-30.4	0	0	0	111.8	E130 S131 T138	E130-N134 WeakPolarHBondContact O-CB 3.13Å; E130-N134 VanDerWaalsContact O-CG 3.25Å; E130-N134 PolarHBondContact O-N 3.47Å; E130-N134 PolarHBondContact O-ND2 3.25Å; S131-N134 PolarHBondContact O-N 3.41Å; N134-T138 WeakPolarHBondContact O-CB 3.44Å; N134-T138 PolarHBondContact O-N 2.93Å; N134-T138 PolarHBondContact O-OG1 3.01Å
135	L	91	Very high	84.6	Confident	101 Å²	101	83.9 Å²	83.9	53%	0.529	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-48.3	173.1	-75.4	178.5	0	0	0	111.3	S131 L132 Y133 A137 T138 V139	S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 VanDerWaalsContact O-CG 3.32Å; S131-L135 WeakPolarHBondContact O-CG 3.49Å; S131-L135 PolarHBondContact O-N 2.89Å; L132-L135 PolarHBondContact O-N 3.5Å; Y133-L135 VanDerWaalsContact C-N 3.33Å; Y133-L135 PolarHBondContact O-N 2.85Å; L135-A137 PolarHBondContact O-N 3.03Å; L135-T138 PolarHBondContact O-N 3.26Å; L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 3.42Å
136	H	88.7	Confident	86.4	Confident	105 Å²	105	85.5 Å²	85.5	49%	0.486	45%	0.453	S	S	.	.	H	α-helix	trans	-57.5	-50.2	176.9	-178.3	-89.5	0	0	0	110.9	F113 L132 Y133 T138 V139 S140	F113-H136 AromaticContact CE2-CE1 3.69Å; F113-H136 AromaticContact CE2-ND1 3.43Å; F113-H136 WeakPolarHBondContact CE2-ND1 3.3Å; F113-H136 AromaticContact CZ-CE1 3.77Å; F113-H136 AromaticContact CZ-ND1 3.17Å; F113-H136 WeakPolarHBondContact CZ-ND1 3.39Å; L132-H136 WeakPolarHBondContact O-CB 3Å; L132-H136 PolarHBondContact O-N 3.28Å; Y133-H136 PolarHBondContact O-N 2.79Å; H136-T138 VanDerWaalsContact C-N 3.31Å; H136-T138 PolarHBondContact O-N 2.87Å; H136-V139 PolarHBondContact O-N 2.81Å; H136-S140 PolarHBondContact CE1-OG 3.42Å; H136-S140 WeakPolarHBondContact O-CB 3.49Å; H136-S140 PolarHBondContact O-N 2.88Å; H136-S140 PolarHBondContact O-OG 3.42Å
137	A	85.7	Confident	87.3	Confident	6 Å²	6	87 Å²	87	5%	0.05	46%	0.456	C	S	.	.	H	α-helix	trans	-59.4	-39.8	177.8	0	0	0	0	0	112.7	F113 Y133 L135 K141	F113-A137 HydrophobicContact CE1-CB 4.01Å; F113-A137 HydrophobicContact CZ-CB 4.17Å; Y133-A137 WeakPolarHBondContact O-CB 3.5Å; Y133-A137 PolarHBondContact O-N 2.86Å; L135-A137 PolarHBondContact O-N 3.03Å; A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 VanDerWaalsContact O-CG 3.25Å; A137-K141 WeakPolarHBondContact O-CG 3.4Å; A137-K141 PolarHBondContact O-N 3.42Å
138	T	89.3	Confident	87.7	Confident	89 Å²	89	83.1 Å²	83.1	55%	0.546	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-43.7	177.2	-58.4	0	0	0	0	111.6	N134 L135 H136 K141 A142	N134-T138 WeakPolarHBondContact O-CB 3.44Å; N134-T138 PolarHBondContact O-N 2.93Å; N134-T138 PolarHBondContact O-OG1 3.01Å; L135-T138 PolarHBondContact O-N 3.26Å; H136-T138 VanDerWaalsContact C-N 3.31Å; H136-T138 PolarHBondContact O-N 2.87Å; T138-K141 PolarHBondContact O-N 2.85Å; T138-A142 WeakPolarHBondContact O-CB 3.41Å; T138-A142 PolarHBondContact O-N 3.39Å
139	V	90.7	Very high	88.2	Confident	82 Å²	82	80 Å²	80	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-46	176.8	171.1	0	0	0	0	110.4	L135 H136 K141 A142 L143	L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.3Å; L135-V139 WeakPolarHBondContact O-CG2 3.47Å; L135-V139 PolarHBondContact O-N 3.42Å; H136-V139 PolarHBondContact O-N 2.81Å; V139-K141 PolarHBondContact O-N 2.84Å; V139-A142 PolarHBondContact O-N 2.94Å; V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 HydrophobicContact CG1-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CG 3.14Å; V139-L143 PolarHBondContact O-N 2.81Å
140	S	86.8	Confident	88.6	Confident	35 Å²	35	85.1 Å²	85.1	25%	0.245	44%	0.437	C	S	.	.	H	α-helix	trans	-58.5	-47.3	176.6	-59.1	0	0	0	0	111.7	H136 A142 L143 T144	H136-S140 PolarHBondContact CE1-OG 3.42Å; H136-S140 WeakPolarHBondContact O-CB 3.49Å; H136-S140 PolarHBondContact O-N 2.88Å; H136-S140 PolarHBondContact O-OG 3.42Å; S140-A142 VanDerWaalsContact C-N 3.35Å; S140-A142 PolarHBondContact O-N 2.9Å; S140-L143 PolarHBondContact O-N 2.86Å; S140-T144 PolarHBondContact O-N 2.82Å; S140-T144 PolarHBondContact O-OG1 2.8Å; S140-T144 VanDerWaalsContact O-OG1 3.14Å
141	K	86.9	Confident	88.8	Confident	139 Å²	139	80.3 Å²	80.3	60%	0.604	41%	0.414	S	S	*	.	H	α-helix	trans	-59.5	-44.5	175.5	-74.7	174.1	-177.7	179.6	0	111.9	A137 T138 V139 T144 Q145	A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 VanDerWaalsContact O-CG 3.25Å; A137-K141 WeakPolarHBondContact O-CG 3.4Å; A137-K141 PolarHBondContact O-N 3.42Å; T138-K141 PolarHBondContact O-N 2.85Å; V139-K141 PolarHBondContact O-N 2.84Å; K141-T144 PolarHBondContact O-N 2.87Å; K141-Q145 WeakPolarHBondContact O-CB 3.16Å; K141-Q145 PolarHBondContact O-N 3.22Å
142	A	90.9	Very high	89	Confident	43 Å²	43	81.7 Å²	81.7	36%	0.355	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-41.2	178.4	0	0	0	0	0	112.1	T138 V139 S140 Q145 Q146	T138-A142 WeakPolarHBondContact O-CB 3.41Å; T138-A142 PolarHBondContact O-N 3.39Å; V139-A142 PolarHBondContact O-N 2.94Å; S140-A142 VanDerWaalsContact C-N 3.35Å; S140-A142 PolarHBondContact O-N 2.9Å; A142-Q145 PolarHBondContact O-N 2.05Å; A142-Q146 WeakPolarHBondContact O-CB 3.43Å; A142-Q146 VanDerWaalsContact O-CG 3.24Å; A142-Q146 WeakPolarHBondContact O-CG 3.39Å; A142-Q146 PolarHBondContact O-N 3.36Å
143	L	88.8	Confident	89.3	Confident	100 Å²	100	81.2 Å²	81.2	52%	0.524	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-45	176.2	-71.9	173.8	0	0	0	111.6	V139 S140 Q145 Q146 F147	V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 HydrophobicContact CG1-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CG 3.14Å; V139-L143 PolarHBondContact O-N 2.81Å; S140-L143 PolarHBondContact O-N 2.86Å; L143-Q145 PolarHBondContact O-N 3.19Å; L143-Q146 PolarHBondContact O-N 3.42Å; L143-F147 PolarHBondContact O-N 3.42Å
144	T	84.9	Confident	89.7	Confident	59 Å²	59	81.7 Å²	81.7	36%	0.362	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-45.9	175.4	-56.5	0	0	0	0	111.1	S140 K141 Q146 F147 E148	S140-T144 PolarHBondContact O-N 2.82Å; S140-T144 PolarHBondContact O-OG1 2.8Å; S140-T144 VanDerWaalsContact O-OG1 3.14Å; K141-T144 PolarHBondContact O-N 2.87Å; T144-Q146 VanDerWaalsContact C-N 3.32Å; T144-Q146 PolarHBondContact O-N 2.99Å; T144-F147 WeakPolarHBondContact O-CB 3.4Å; T144-F147 PolarHBondContact O-N 3.46Å; T144-E148 WeakPolarHBondContact O-CG 3.48Å; T144-E148 PolarHBondContact O-N 3.12Å
145	Q	88	Confident	89.7	Confident	139 Å²	139	80.7 Å²	80.7	65%	0.65	41%	0.414	S	S	*	.	H	α-helix	trans	-63.7	-37.7	178.1	-175.3	172	-34.6	0	0	112.4	K141 A142 L143 S149	K141-Q145 WeakPolarHBondContact O-CB 3.16Å; K141-Q145 PolarHBondContact O-N 3.22Å; A142-Q145 PolarHBondContact O-N 2.05Å; L143-Q145 PolarHBondContact O-N 3.19Å; Q145-S149 WeakPolarHBondContact O-CB 2.93Å; Q145-S149 PolarHBondContact O-N 3Å; Q145-S149 PolarHBondContact O-OG 2.8Å
146	Q	92.7	Very high	89.8	Confident	116 Å²	116	79.5 Å²	79.5	54%	0.542	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-44.2	173.5	-76.4	176.2	15.8	0	0	111.3	A142 L143 T144 S149 R150	A142-Q146 WeakPolarHBondContact O-CB 3.43Å; A142-Q146 VanDerWaalsContact O-CG 3.24Å; A142-Q146 WeakPolarHBondContact O-CG 3.39Å; A142-Q146 PolarHBondContact O-N 3.36Å; L143-Q146 PolarHBondContact O-N 3.42Å; T144-Q146 VanDerWaalsContact C-N 3.32Å; T144-Q146 PolarHBondContact O-N 2.99Å; Q146-S149 PolarHBondContact O-N 3.1Å; Q146-R150 VanDerWaalsContact O-CG 3.23Å; Q146-R150 WeakPolarHBondContact O-CG 3.2Å; Q146-R150 PolarHBondContact O-N 2.95Å
147	F	88.9	Confident	90.1	Very high	66 Å²	66	82.1 Å²	82.1	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-49.6	178.5	178.9	-103.9	0	0	0	112	T107 L143 T144 S149 R150 I151	T107-F147 HydrophobicContact CG2-CE1 4.38Å; L143-F147 PolarHBondContact O-N 3.42Å; T144-F147 WeakPolarHBondContact O-CB 3.4Å; T144-F147 PolarHBondContact O-N 3.46Å; F147-S149 VanDerWaalsContact C-N 3.31Å; F147-S149 PolarHBondContact O-N 3.26Å; F147-R150 WeakPolarHBondContact O-CB 3.48Å; F147-R150 PolarHBondContact O-N 2.94Å; F147-R150 VanDerWaalsContact O-N 3.11Å; F147-I151 HydrophobicContact CD1-CD1 3.82Å; F147-I151 HydrophobicContact CE1-CD1 3.26Å; F147-I151 HydrophobicContact CE1-CG1 4.3Å; F147-I151 HydrophobicContact CE2-CD1 4.22Å; F147-I151 HydrophobicContact CZ-CD1 3.5Å; F147-I151 HydrophobicContact CZ-CG1 4.27Å; F147-I151 PolarHBondContact O-N 3.23Å
148	E	87.3	Confident	90.3	Very high	46 Å²	46	83.5 Å²	83.5	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-44.2	175.9	-67.2	-57.7	147.9	0	0	111.4	N46 R109 T144 R150 I151 L152	N46-E148 PolarHBondContact ND2-OE2 3.35Å; R109-E148 IonicContact CZ-OE1 3.43Å; R109-E148 IonicContact NH2-OE1 3.26Å; R109-E148 PolarHBondContact NH2-OE1 2.92Å; T144-E148 WeakPolarHBondContact O-CG 3.48Å; T144-E148 PolarHBondContact O-N 3.12Å; E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.76Å; E148-I151 PolarHBondContact O-N 3.39Å; E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 3.12Å
149	S	91.4	Very high	90.4	Very high	55 Å²	55	81.2 Å²	81.2	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-40.4	176.4	-59	0	0	0	0	111.9	Q145 Q146 F147 L152 L153	Q145-S149 WeakPolarHBondContact O-CB 2.93Å; Q145-S149 PolarHBondContact O-N 3Å; Q145-S149 PolarHBondContact O-OG 2.8Å; Q146-S149 PolarHBondContact O-N 3.1Å; F147-S149 VanDerWaalsContact C-N 3.31Å; F147-S149 PolarHBondContact O-N 3.26Å; S149-L152 PolarHBondContact O-N 2.88Å; S149-L153 WeakPolarHBondContact O-CB 3.32Å; S149-L153 WeakPolarHBondContact O-CG 3.16Å; S149-L153 PolarHBondContact O-N 2.81Å
150	R	93.7	Very high	90.5	Very high	173 Å²	173	80 Å²	80	65%	0.653	41%	0.413	S	S	*	.	H	α-helix	trans	-65.5	-42.8	177.3	-70.2	-68.9	-174.3	-143.5	-0.1	111.7	Q146 F147 E148 L152 L153 V154	Q146-R150 VanDerWaalsContact O-CG 3.23Å; Q146-R150 WeakPolarHBondContact O-CG 3.2Å; Q146-R150 PolarHBondContact O-N 2.95Å; F147-R150 WeakPolarHBondContact O-CB 3.48Å; F147-R150 PolarHBondContact O-N 2.94Å; F147-R150 VanDerWaalsContact O-N 3.11Å; E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.76Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-L152 PolarHBondContact O-N 2.85Å; R150-L153 PolarHBondContact O-N 3.31Å; R150-V154 VanDerWaalsContact O-CG2 3.31Å; R150-V154 WeakPolarHBondContact O-CG2 3.19Å; R150-V154 PolarHBondContact O-N 2.91Å
151	I	90.3	Very high	90.8	Very high	12 Å²	12	82.3 Å²	82.3	6%	0.062	42%	0.422	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.5	-71.3	175.7	0	0	0	110.6	N46 I48 F147 E148 L153 V154 R155	N46-I151 HydrophobicContact CB-CG2 3.74Å; I48-I151 HydrophobicContact CG1-CG2 4.31Å; F147-I151 HydrophobicContact CD1-CD1 3.82Å; F147-I151 HydrophobicContact CE1-CD1 3.26Å; F147-I151 HydrophobicContact CE1-CG1 4.3Å; F147-I151 HydrophobicContact CE2-CD1 4.22Å; F147-I151 HydrophobicContact CZ-CD1 3.5Å; F147-I151 HydrophobicContact CZ-CG1 4.27Å; F147-I151 PolarHBondContact O-N 3.23Å; E148-I151 PolarHBondContact O-N 3.39Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3.34Å; I151-V154 PolarHBondContact O-N 2.85Å; I151-R155 PolarHBondContact O-N 3.19Å
152	L	90.9	Very high	91	Very high	94 Å²	94	82 Å²	82	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-43.1	179.1	-67.9	175	0	0	0	111.9	E148 S149 R150 V154 R155 S156	E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 3.12Å; S149-L152 PolarHBondContact O-N 2.88Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-L152 PolarHBondContact O-N 2.85Å; L152-V154 PolarHBondContact O-N 3.46Å; L152-R155 PolarHBondContact O-N 2.99Å; L152-S156 PolarHBondContact O-N 3.26Å; L152-S156 PolarHBondContact O-OG 2.98Å
153	L	94.4	Very high	91.1	Very high	98 Å²	98	83.9 Å²	83.9	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-43	176.7	-72.6	171.2	0	0	0	112.1	S149 R150 I151 R155 S156 Y157	S149-L153 WeakPolarHBondContact O-CB 3.32Å; S149-L153 WeakPolarHBondContact O-CG 3.16Å; S149-L153 PolarHBondContact O-N 2.81Å; R150-L153 PolarHBondContact O-N 3.31Å; I151-L153 VanDerWaalsContact C-N 3.35Å; I151-L153 PolarHBondContact O-N 3.34Å; L153-R155 VanDerWaalsContact C-N 3.34Å; L153-S156 PolarHBondContact O-N 2.87Å; L153-Y157 WeakPolarHBondContact O-CB 3.11Å; L153-Y157 PolarHBondContact O-N 3Å
154	V	92.3	Very high	91.4	Very high	78 Å²	78	85.2 Å²	85.2	47%	0.473	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-41.9	177.4	172.7	0	0	0	0	110.8	I48 R150 I151 L152 Y157 S158	I48-V154 HydrophobicContact CG2-CG1 3.73Å; R150-V154 VanDerWaalsContact O-CG2 3.31Å; R150-V154 WeakPolarHBondContact O-CG2 3.19Å; R150-V154 PolarHBondContact O-N 2.91Å; I151-V154 PolarHBondContact O-N 2.85Å; L152-V154 PolarHBondContact O-N 3.46Å; V154-Y157 PolarHBondContact O-N 3.47Å; V154-S158 WeakPolarHBondContact O-CB 3.35Å; V154-S158 PolarHBondContact O-N 3.03Å
155	R	90.7	Very high	91.9	Very high	58 Å²	58	86 Å²	86	22%	0.219	43%	0.429	C	S	.	.	H	α-helix	trans	-60.8	-50.5	174.7	178.3	171.8	-176	-169.5	0.2	111.7	I48 Y53 I151 L152 L153 Y157 S158 N159	I48-R155 WeakPolarHBondContact O-CG 3.5Å; Y53-R155 VanDerWaalsContact CB-NH2 3.32Å; Y53-R155 HydrophobicContact CE1-CG 4.38Å; I151-R155 PolarHBondContact O-N 3.19Å; L152-R155 PolarHBondContact O-N 2.99Å; L153-R155 VanDerWaalsContact C-N 3.34Å; R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 3.23Å; R155-S158 PolarHBondContact O-N 3.45Å; R155-N159 PolarHBondContact O-N 3.28Å; R155-N159 VanDerWaalsContact O-N 3.12Å; R155-N159 PolarHBondContact O-ND2 3.41Å; R155-N159 PolarHBondContact O-OD1 2.88Å
156	S	93	Very high	92.3	Very high	76 Å²	76	85.8 Å²	85.8	53%	0.531	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-42.1	177.6	-65.4	0	0	0	0	112.2	L152 L153 N159 A160	L152-S156 PolarHBondContact O-N 3.26Å; L152-S156 PolarHBondContact O-OG 2.98Å; L153-S156 PolarHBondContact O-N 2.87Å; S156-N159 PolarHBondContact O-N 3.35Å; S156-A160 WeakPolarHBondContact O-CB 3.14Å; S156-A160 PolarHBondContact O-N 3.43Å
157	Y	94.6	Very high	92.5	Very high	160 Å²	160	84.7 Å²	84.7	63%	0.627	42%	0.424	S	S	*	.	H	α-helix	trans	-65.2	-45.5	178.7	-179.2	-107.5	0	0	0	112.4	L153 V154 R155 N159 A160 I161	L153-Y157 WeakPolarHBondContact O-CB 3.11Å; L153-Y157 PolarHBondContact O-N 3Å; V154-Y157 PolarHBondContact O-N 3.47Å; R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 3.23Å; Y157-N159 VanDerWaalsContact C-N 3.28Å; Y157-N159 PolarHBondContact O-N 3.39Å; Y157-A160 PolarHBondContact O-N 2.54Å; Y157-I161 HydrophobicContact CD1-CD1 3.71Å; Y157-I161 HydrophobicContact CE1-CD1 3.18Å; Y157-I161 HydrophobicContact CE1-CG1 4.25Å; Y157-I161 HydrophobicContact CE2-CD1 4.11Å; Y157-I161 HydrophobicContact CE2-CG1 4.38Å; Y157-I161 HydrophobicContact CG-CD1 4.38Å; Y157-I161 VanDerWaalsContact CZ-CD1 3.41Å; Y157-I161 PolarHBondContact O-N 3.32Å
158	S	90.1	Very high	92.9	Very high	36 Å²	36	85.3 Å²	85.3	25%	0.252	43%	0.43	S	S	.	.	H	α-helix	trans	-54.7	-46.6	175	-178.8	0	0	0	0	111.3	S49 V154 R155 A160 I161 F162	S49-S158 PolarHBondContact OG-OG 2.69Å; V154-S158 WeakPolarHBondContact O-CB 3.35Å; V154-S158 PolarHBondContact O-N 3.03Å; R155-S158 PolarHBondContact O-N 3.45Å; S158-A160 PolarHBondContact O-N 3.16Å; S158-I161 PolarHBondContact O-N 3.47Å; S158-F162 PolarHBondContact O-N 2.95Å; S158-F162 VanDerWaalsContact O-N 3.1Å
159	N	90.5	Very high	93.4	Very high	41 Å²	41	90.3 Å²	90.3	22%	0.219	45%	0.448	C	S	.	.	H	α-helix	trans	-65.8	-40.8	-180	-62.8	-4.7	0	0	0	112	Y53 R155 S156 Y157 F162 L163	Y53-N159 PolarHBondContact OH-ND2 3.17Å; Y53-N159 PolarHBondContact OH-OD1 2.92Å; R155-N159 PolarHBondContact O-N 3.28Å; R155-N159 VanDerWaalsContact O-N 3.12Å; R155-N159 PolarHBondContact O-ND2 3.41Å; R155-N159 PolarHBondContact O-OD1 2.88Å; S156-N159 PolarHBondContact O-N 3.35Å; Y157-N159 VanDerWaalsContact C-N 3.28Å; Y157-N159 PolarHBondContact O-N 3.39Å; N159-F162 PolarHBondContact O-N 2.87Å; N159-L163 WeakPolarHBondContact O-CB 3.38Å; N159-L163 VanDerWaalsContact O-CG 3.3Å; N159-L163 WeakPolarHBondContact O-CG 3.01Å; N159-L163 PolarHBondContact O-N 2.64Å
160	A	94.1	Very high	93.7	Very high	55 Å²	55	95.9 Å²	95.9	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-62	-43.5	177.3	0	0	0	0	0	111.7	S156 Y157 S158 L163 H164	S156-A160 WeakPolarHBondContact O-CB 3.14Å; S156-A160 PolarHBondContact O-N 3.43Å; Y157-A160 PolarHBondContact O-N 2.54Å; S158-A160 PolarHBondContact O-N 3.16Å; A160-L163 PolarHBondContact O-N 3.28Å; A160-H164 WeakPolarHBondContact O-CB 3.34Å; A160-H164 PolarHBondContact O-N 2.8Å
161	I	93.6	Very high	93.9	Very high	84 Å²	84	91.3 Å²	91.3	43%	0.431	46%	0.455	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.9	-71.2	165.7	0	0	0	110.9	Y157 S158 L163 H164 N165	Y157-I161 HydrophobicContact CD1-CD1 3.71Å; Y157-I161 HydrophobicContact CE1-CD1 3.18Å; Y157-I161 HydrophobicContact CE1-CG1 4.25Å; Y157-I161 HydrophobicContact CE2-CD1 4.11Å; Y157-I161 HydrophobicContact CE2-CG1 4.38Å; Y157-I161 HydrophobicContact CG-CD1 4.38Å; Y157-I161 VanDerWaalsContact CZ-CD1 3.41Å; Y157-I161 PolarHBondContact O-N 3.32Å; S158-I161 PolarHBondContact O-N 3.47Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.03Å; I161-H164 PolarHBondContact O-N 2.96Å; I161-N165 WeakPolarHBondContact O-CB 3.47Å; I161-N165 PolarHBondContact O-N 3.29Å
162	F	89.8	Confident	94.3	Very high	134 Å²	134	95.2 Å²	95.2	59%	0.588	48%	0.475	S	S	*	.	H	α-helix	trans	-59.3	-46.5	-179.4	177	-97.8	0	0	0	111.7	S158 N159 R166	S158-F162 PolarHBondContact O-N 2.95Å; S158-F162 VanDerWaalsContact O-N 3.1Å; N159-F162 PolarHBondContact O-N 2.87Å; F162-R166 PolarHBondContact O-N 2.61Å
163	L	92.7	Very high	94.6	Very high	82 Å²	82	92.3 Å²	92.3	43%	0.429	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-46	178	-72	171.2	0	0	0	112	N159 A160 I161 N165 R166 V167	N159-L163 WeakPolarHBondContact O-CB 3.38Å; N159-L163 VanDerWaalsContact O-CG 3.3Å; N159-L163 WeakPolarHBondContact O-CG 3.01Å; N159-L163 PolarHBondContact O-N 2.64Å; A160-L163 PolarHBondContact O-N 3.28Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.03Å; L163-N165 PolarHBondContact O-N 3.23Å; L163-R166 VanDerWaalsContact CD2-NH2 3.35Å; L163-R166 PolarHBondContact O-N 3.43Å; L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 3.38Å
164	H	96.3	Very high	94.8	Very high	128 Å²	128	92.4 Å²	92.4	59%	0.593	47%	0.466	S	S	*	.	H	α-helix	trans	-56.6	-49.3	179	174.3	78.1	0	0	0	111.4	A160 I161 R166 V167 L168	A160-H164 WeakPolarHBondContact O-CB 3.34Å; A160-H164 PolarHBondContact O-N 2.8Å; I161-H164 PolarHBondContact O-N 2.96Å; H164-R166 VanDerWaalsContact C-N 3.35Å; H164-R166 PolarHBondContact O-N 3.27Å; H164-V167 PolarHBondContact O-N 3.11Å; H164-L168 WeakPolarHBondContact O-CB 3.22Å; H164-L168 PolarHBondContact O-N 3.13Å
165	N	95.1	Very high	95.1	Very high	75 Å²	75	90.9 Å²	90.9	40%	0.401	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-42.9	-179.6	-170.1	51	0	0	0	111.9	I161 L163 L168 Y169	I161-N165 WeakPolarHBondContact O-CB 3.47Å; I161-N165 PolarHBondContact O-N 3.29Å; L163-N165 PolarHBondContact O-N 3.23Å; N165-L168 WeakPolarHBondContact O-CB 3.33Å; N165-L168 PolarHBondContact O-N 2.99Å; N165-Y169 WeakPolarHBondContact O-CD2 3.3Å; N165-Y169 PolarHBondContact O-N 3.09Å; N165-Y169 VanDerWaalsContact O-N 3.09Å; N165-Y169 WeakPolarHBondContact OD1-CE2 3.1Å
166	R	95.3	Very high	95.4	Very high	134 Å²	134	93.5 Å²	93.5	51%	0.506	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-42.8	177.4	-174.4	174.8	67.1	178.3	1.1	112.5	F162 L163 H164 W170	F162-R166 PolarHBondContact O-N 2.61Å; L163-R166 VanDerWaalsContact CD2-NH2 3.35Å; L163-R166 PolarHBondContact O-N 3.43Å; H164-R166 VanDerWaalsContact C-N 3.35Å; H164-R166 PolarHBondContact O-N 3.27Å; R166-W170 PolarHBondContact O-N 2.88Å; R166-W170 VanDerWaalsContact O-N 3.1Å
167	V	97.4	Very high	95.7	Very high	94 Å²	94	93 Å²	93	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-66.7	-39.3	177.6	174.8	0	0	0	0	110.8	L163 H164 W170 S171	L163-V167 WeakPolarHBondContact O-CG2 3.3Å; L163-V167 PolarHBondContact O-N 3.38Å; H164-V167 PolarHBondContact O-N 3.11Å; V167-W170 PolarHBondContact O-N 2.84Å; V167-S171 VanDerWaalsContact O-CB 3.3Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.37Å
168	L	98	Very high	95.9	Very high	79 Å²	79	91 Å²	91	41%	0.414	47%	0.471	S	S	.	.	H	α-helix	trans	-57	-52.6	175.1	-174.1	93.9	0	0	0	111	H164 N165 W170 S171 L172	H164-L168 WeakPolarHBondContact O-CB 3.22Å; H164-L168 PolarHBondContact O-N 3.13Å; N165-L168 WeakPolarHBondContact O-CB 3.33Å; N165-L168 PolarHBondContact O-N 2.99Å; L168-W170 PolarHBondContact O-N 3.1Å; L168-S171 PolarHBondContact O-N 3.29Å; L168-L172 HydrophobicContact CD2-CD1 4.27Å; L168-L172 HydrophobicContact CG-CD1 4.13Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.2Å
169	Y	97.4	Very high	96.2	Very high	150 Å²	150	94 Å²	94	59%	0.588	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-41.4	179.4	-76.4	-62.5	0	0	0	112.8	N165 L172 G173	N165-Y169 WeakPolarHBondContact O-CD2 3.3Å; N165-Y169 PolarHBondContact O-N 3.09Å; N165-Y169 VanDerWaalsContact O-N 3.09Å; N165-Y169 WeakPolarHBondContact OD1-CE2 3.1Å; Y169-L172 PolarHBondContact O-N 3.36Å; Y169-G173 PolarHBondContact O-N 2.98Å
170	W	98.1	Very high	96.6	Very high	173 Å²	173	97.6 Å²	97.6	66%	0.655	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-43.1	174.8	-99.7	107.5	0	0	0	112.3	R166 V167 L168 G173 Q174	R166-W170 PolarHBondContact O-N 2.88Å; R166-W170 VanDerWaalsContact O-N 3.1Å; V167-W170 PolarHBondContact O-N 2.84Å; L168-W170 PolarHBondContact O-N 3.1Å; W170-G173 PolarHBondContact O-N 2.94Å; W170-Q174 WeakPolarHBondContact O-CG 3.45Å; W170-Q174 PolarHBondContact O-N 3.37Å
171	S	97.9	Very high	96.8	Very high	76 Å²	76	101.8 Å²	101.8	53%	0.531	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-39.8	178.3	-171.1	0	0	0	0	112.1	V167 L168 G173 Q174 A175	V167-S171 VanDerWaalsContact O-CB 3.3Å; V167-S171 WeakPolarHBondContact O-CB 3.36Å; V167-S171 PolarHBondContact O-N 3.37Å; L168-S171 PolarHBondContact O-N 3.29Å; S171-G173 VanDerWaalsContact C-N 3.34Å; S171-Q174 PolarHBondContact O-N 3.45Å; S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 3.02Å
172	L	98.3	Very high	96.9	Very high	95 Å²	95	99.2 Å²	99.2	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-42	174.1	-73.4	171.2	0	0	0	111.2	L168 Y169 A175 L176	L168-L172 HydrophobicContact CD2-CD1 4.27Å; L168-L172 HydrophobicContact CG-CD1 4.13Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 3.2Å; Y169-L172 PolarHBondContact O-N 3.36Å; L172-A175 PolarHBondContact O-N 3.34Å; L172-L176 PolarHBondContact O-N 3.41Å
173	G	98.1	Very high	97.3	Very high	32 Å²	32	97.1 Å²	97.1	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-46.6	173.9	0	0	0	0	0	112.5	Y169 W170 S171 L176 V177	Y169-G173 PolarHBondContact O-N 2.98Å; W170-G173 PolarHBondContact O-N 2.94Å; S171-G173 VanDerWaalsContact C-N 3.34Å; G173-L176 PolarHBondContact O-N 3.03Å; G173-V177 WeakPolarHBondContact O-CG2 3.37Å; G173-V177 PolarHBondContact O-N 2.93Å; G173-V177 VanDerWaalsContact O-N 3.11Å
174	Q	97.8	Very high	97.4	Very high	101 Å²	101	94.7 Å²	94.7	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-44	176.5	-67.7	-65	-19.7	0	0	112.2	W170 S171 L176 V177 I178	W170-Q174 WeakPolarHBondContact O-CG 3.45Å; W170-Q174 PolarHBondContact O-N 3.37Å; S171-Q174 PolarHBondContact O-N 3.45Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.29Å; Q174-V177 PolarHBondContact O-N 3.03Å; Q174-I178 WeakPolarHBondContact O-CG1 3.38Å; Q174-I178 PolarHBondContact O-N 3.35Å
175	A	98.1	Very high	97.4	Very high	45 Å²	45	95.1 Å²	95.1	37%	0.372	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-42.4	177.2	0	0	0	0	0	111.9	S171 L172 I178 I179	S171-A175 WeakPolarHBondContact O-CB 3.36Å; S171-A175 PolarHBondContact O-N 3.02Å; L172-A175 PolarHBondContact O-N 3.34Å; A175-I178 PolarHBondContact O-N 3Å; A175-I179 VanDerWaalsContact O-CG1 3.29Å; A175-I179 WeakPolarHBondContact O-CG1 3.37Å; A175-I179 PolarHBondContact O-N 3.21Å
176	L	98.3	Very high	97.5	Very high	113 Å²	113	95.3 Å²	95.3	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-61.2	-43.6	175.1	-78.2	175.4	0	0	0	112.4	L172 G173 Q174 I178 I179 L180	L172-L176 PolarHBondContact O-N 3.41Å; G173-L176 PolarHBondContact O-N 3.03Å; Q174-L176 VanDerWaalsContact C-N 3.32Å; Q174-L176 PolarHBondContact O-N 3.29Å; L176-I178 PolarHBondContact O-N 3.47Å; L176-I179 PolarHBondContact O-N 3.43Å; L176-L180 WeakPolarHBondContact O-CG 3.29Å; L176-L180 PolarHBondContact O-N 3.47Å
177	V	98.3	Very high	97.4	Very high	66 Å²	66	94.1 Å²	94.1	40%	0.4	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-45.3	177.2	173.3	0	0	0	0	110.8	G173 Q174 I179 L180 F181	G173-V177 WeakPolarHBondContact O-CG2 3.37Å; G173-V177 PolarHBondContact O-N 2.93Å; G173-V177 VanDerWaalsContact O-N 3.11Å; Q174-V177 PolarHBondContact O-N 3.03Å; V177-I179 VanDerWaalsContact C-N 3.34Å; V177-I179 PolarHBondContact O-N 3.3Å; V177-L180 PolarHBondContact O-N 2.96Å; V177-F181 HydrophobicContact CG1-CD2 3.79Å; V177-F181 HydrophobicContact CG1-CE2 3.88Å; V177-F181 WeakPolarHBondContact O-CD2 3.41Å; V177-F181 PolarHBondContact O-N 3.23Å
178	I	98.1	Very high	97.2	Very high	118 Å²	118	94.7 Å²	94.7	61%	0.605	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-42.9	178.1	-66.6	167.3	0	0	0	111.2	Q174 A175 L176 L180 F181 G182	Q174-I178 WeakPolarHBondContact O-CG1 3.38Å; Q174-I178 PolarHBondContact O-N 3.35Å; A175-I178 PolarHBondContact O-N 3Å; L176-I178 PolarHBondContact O-N 3.47Å; I178-L180 PolarHBondContact O-N 3.11Å; I178-F181 PolarHBondContact O-N 3.23Å; I178-G182 PolarHBondContact O-N 3.02Å
179	I	98.2	Very high	97	Very high	99 Å²	99	96.3 Å²	96.3	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-60.3	-45.1	176.9	-69.5	165.1	0	0	0	110.8	A175 L176 V177 G182 I183	A175-I179 VanDerWaalsContact O-CG1 3.29Å; A175-I179 WeakPolarHBondContact O-CG1 3.37Å; A175-I179 PolarHBondContact O-N 3.21Å; L176-I179 PolarHBondContact O-N 3.43Å; V177-I179 VanDerWaalsContact C-N 3.34Å; V177-I179 PolarHBondContact O-N 3.3Å; I179-G182 PolarHBondContact O-N 3.33Å; I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 WeakPolarHBondContact O-CG1 3.4Å; I179-I183 PolarHBondContact O-N 2.9Å
180	L	98	Very high	96.7	Very high	116 Å²	116	97.9 Å²	97.9	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-42.3	178	-69.6	174.1	0	0	0	112.2	L176 V177 I178 G182 I183 G184	L176-L180 WeakPolarHBondContact O-CG 3.29Å; L176-L180 PolarHBondContact O-N 3.47Å; V177-L180 PolarHBondContact O-N 2.96Å; I178-L180 PolarHBondContact O-N 3.11Å; L180-G182 VanDerWaalsContact C-N 3.34Å; L180-G182 PolarHBondContact O-N 3.27Å; L180-I183 PolarHBondContact O-N 2.99Å; L180-G184 PolarHBondContact O-N 3.4Å
181	F	97.9	Very high	96.3	Very high	144 Å²	144	93.4 Å²	93.4	63%	0.632	51%	0.512	S	S	*	.	H	α-helix	trans	-61.1	-42.4	173.5	-93.9	-92.8	0	0	0	111.7	V177 I178 G184 Q185	V177-F181 HydrophobicContact CG1-CD2 3.79Å; V177-F181 HydrophobicContact CG1-CE2 3.88Å; V177-F181 WeakPolarHBondContact O-CD2 3.41Å; V177-F181 PolarHBondContact O-N 3.23Å; I178-F181 PolarHBondContact O-N 3.23Å; F181-G184 PolarHBondContact O-N 3.21Å; F181-Q185 WeakPolarHBondContact O-CG 3.39Å; F181-Q185 PolarHBondContact O-N 3.47Å
182	G	97.1	Very high	95.8	Very high	30 Å²	30	97.3 Å²	97.3	31%	0.309	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-45.7	175.8	0	0	0	0	0	112.9	I178 I179 L180 G184 Q185 V186	I178-G182 PolarHBondContact O-N 3.02Å; I179-G182 PolarHBondContact O-N 3.33Å; L180-G182 VanDerWaalsContact C-N 3.34Å; L180-G182 PolarHBondContact O-N 3.27Å; G182-G184 VanDerWaalsContact C-N 3.34Å; G182-G184 PolarHBondContact O-N 3.13Å; G182-Q185 PolarHBondContact O-N 3.37Å; G182-V186 WeakPolarHBondContact O-CG2 3.23Å; G182-V186 PolarHBondContact O-N 3.49Å; G182-V186 VanDerWaalsContact O-N 3.13Å
183	I	96.8	Very high	95.2	Very high	90 Å²	90	99.8 Å²	99.8	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175	-66.3	166.2	0	0	0	110.5	I179 L180 Q185 V186 I187	I179-I183 HydrophobicContact CG2-CD1 3.9Å; I179-I183 WeakPolarHBondContact O-CG1 3.4Å; I179-I183 PolarHBondContact O-N 2.9Å; L180-I183 PolarHBondContact O-N 2.99Å; I183-Q185 PolarHBondContact O-N 2.9Å; I183-V186 PolarHBondContact O-N 3.31Å; I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 HydrophobicContact CG2-CG1 4.44Å; I183-I187 WeakPolarHBondContact O-CG1 3.44Å; I183-I187 PolarHBondContact O-N 3.39Å
184	G	96.3	Very high	94.1	Very high	30 Å²	30	102 Å²	102	31%	0.309	54%	0.537	S	S	.	.	H	α-helix	trans	-57.9	-46.6	176.9	0	0	0	0	0	112.5	L180 F181 G182 V186 I187 V188	L180-G184 PolarHBondContact O-N 3.4Å; F181-G184 PolarHBondContact O-N 3.21Å; G182-G184 VanDerWaalsContact C-N 3.34Å; G182-G184 PolarHBondContact O-N 3.13Å; G184-V186 VanDerWaalsContact C-N 3.33Å; G184-V186 PolarHBondContact O-N 2.89Å; G184-I187 PolarHBondContact O-N 3.5Å; G184-V188 WeakPolarHBondContact O-CG2 3.37Å; G184-V188 PolarHBondContact O-N 3.47Å
185	Q	96	Very high	92.5	Very high	137 Å²	137	101.9 Å²	101.9	64%	0.64	55%	0.547	S	S	*	.	H	α-helix	trans	-58.4	-42.8	175.7	-74.5	174	-7.5	0	0	112.1	F181 G182 I183 V188 M189	F181-Q185 WeakPolarHBondContact O-CG 3.39Å; F181-Q185 PolarHBondContact O-N 3.47Å; G182-Q185 PolarHBondContact O-N 3.37Å; I183-Q185 PolarHBondContact O-N 2.9Å; Q185-V188 PolarHBondContact O-N 3.28Å; Q185-M189 WeakPolarHBondContact O-CB 3.46Å; Q185-M189 PolarHBondContact O-N 3.28Å
186	V	95.6	Very high	90.8	Very high	79 Å²	79	107.3 Å²	107.3	48%	0.479	57%	0.565	S	S	.	*	H	α-helix	trans	-65.8	-41.5	178.4	174.3	0	0	0	0	111.7	G182 I183 G184 M189 R190	G182-V186 WeakPolarHBondContact O-CG2 3.23Å; G182-V186 PolarHBondContact O-N 3.49Å; G182-V186 VanDerWaalsContact O-N 3.13Å; I183-V186 PolarHBondContact O-N 3.31Å; G184-V186 VanDerWaalsContact C-N 3.33Å; G184-V186 PolarHBondContact O-N 2.89Å; V186-M189 PolarHBondContact O-N 3.43Å; V186-R190 WeakPolarHBondContact O-CB 3.33Å; V186-R190 WeakPolarHBondContact O-CG 3.41Å; V186-R190 PolarHBondContact O-N 3.45Å
187	I	94.2	Very high	88.7	Confident	109 Å²	109	106.5 Å²	106.5	56%	0.559	57%	0.569	S	S	*	*	H	α-helix	trans	-63.4	-45.9	177.2	-67.6	168.7	0	0	0	110.6	I183 G184 M189 R190 S191	I183-I187 HydrophobicContact CG2-CD1 3.84Å; I183-I187 HydrophobicContact CG2-CG1 4.44Å; I183-I187 WeakPolarHBondContact O-CG1 3.44Å; I183-I187 PolarHBondContact O-N 3.39Å; G184-I187 PolarHBondContact O-N 3.5Å; I187-M189 VanDerWaalsContact C-N 3.35Å; I187-M189 PolarHBondContact O-N 3.42Å; I187-R190 PolarHBondContact O-N 2.98Å; I187-S191 PolarHBondContact O-N 3.49Å
188	V	93.4	Very high	86.6	Confident	106 Å²	106	110.6 Å²	110.6	64%	0.642	59%	0.588	S	S	*	*	H	α-helix	trans	-61.2	-44.7	177.6	172	0	0	0	0	110.8	G184 Q185 R190 S191 F192	G184-V188 WeakPolarHBondContact O-CG2 3.37Å; G184-V188 PolarHBondContact O-N 3.47Å; Q185-V188 PolarHBondContact O-N 3.28Å; V188-R190 PolarHBondContact O-N 2.94Å; V188-S191 WeakPolarHBondContact O-CB 3.35Å; V188-S191 PolarHBondContact O-N 2.92Å; V188-F192 PolarHBondContact O-N 3.29Å
189	M	93.3	Very high	84.5	Confident	114 Å²	114	113 Å²	113	56%	0.562	60%	0.597	S	S	*	*	H	α-helix	trans	-62.7	-42.3	177.3	-173.6	63.9	105	0	0	111.8	Q185 V186 I187 S191 F192 F193	Q185-M189 WeakPolarHBondContact O-CB 3.46Å; Q185-M189 PolarHBondContact O-N 3.28Å; V186-M189 PolarHBondContact O-N 3.43Å; I187-M189 VanDerWaalsContact C-N 3.35Å; I187-M189 PolarHBondContact O-N 3.42Å; M189-S191 VanDerWaalsContact C-N 3.3Å; M189-S191 PolarHBondContact O-N 2.93Å; M189-F192 PolarHBondContact O-N 3.48Å; M189-F193 HydrophobicContact CG-CD2 4.27Å; M189-F193 HydrophobicContact CG-CE2 3.84Å; M189-F193 VanDerWaalsContact O-CD2 3.23Å; M189-F193 WeakPolarHBondContact O-CD2 3.34Å; M189-F193 HydrophobicContact SD-CD2 4.37Å; M189-F193 HydrophobicContact SD-CE2 3.57Å; M189-F193 VanDerWaalsContact SD-CE2 3.57Å; M189-F193 HydrophobicContact SD-CZ 4.26Å
190	R	91.8	Very high	82.2	Confident	183 Å²	183	119.4 Å²	119.4	69%	0.691	62%	0.615	S	S	*	*	H	α-helix	trans	-63.6	-35.9	175.6	-75.8	-175.6	177.2	-161.6	0.3	112.4	V186 I187 V188 F192 F193 S194	V186-R190 WeakPolarHBondContact O-CB 3.33Å; V186-R190 WeakPolarHBondContact O-CG 3.41Å; V186-R190 PolarHBondContact O-N 3.45Å; I187-R190 PolarHBondContact O-N 2.98Å; V188-R190 PolarHBondContact O-N 2.94Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.45Å; R190-F193 PolarHBondContact O-N 3.24Å; R190-S194 WeakPolarHBondContact O-CB 3.33Å; R190-S194 PolarHBondContact O-N 3.34Å; R190-S194 PolarHBondContact O-OG 2.97Å
191	S	88.6	Confident	80	Confident	78 Å²	78	119.7 Å²	119.7	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-62	-36.6	176.6	-172.4	0	0	0	0	112.5	I187 V188 M189 F193 S194	I187-S191 PolarHBondContact O-N 3.49Å; V188-S191 WeakPolarHBondContact O-CB 3.35Å; V188-S191 PolarHBondContact O-N 2.92Å; M189-S191 VanDerWaalsContact C-N 3.3Å; M189-S191 PolarHBondContact O-N 2.93Å; S191-F193 PolarHBondContact O-N 3.21Å; S191-S194 PolarHBondContact O-OG 2.77Å
192	F	88	Confident	78	Confident	159 Å²	159	116.8 Å²	116.8	70%	0.697	63%	0.629	S	S	*	*	H	α-helix	trans	-64.9	-39.5	176.9	-171.8	-98.6	0	0	0	112.4	V188 M189 R190	V188-F192 PolarHBondContact O-N 3.29Å; M189-F192 PolarHBondContact O-N 3.48Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 3.45Å
193	F	86.3	Confident	76.4	Confident	146 Å²	146	124.3 Å²	124.3	64%	0.64	65%	0.653	S	S	*	*	H	α-helix	trans	-86.5	-19.1	-178.7	-63.8	-63.1	0	0	0	114.7	M189 R190 S191 S195	M189-F193 HydrophobicContact CG-CD2 4.27Å; M189-F193 HydrophobicContact CG-CE2 3.84Å; M189-F193 VanDerWaalsContact O-CD2 3.23Å; M189-F193 WeakPolarHBondContact O-CD2 3.34Å; M189-F193 HydrophobicContact SD-CD2 4.37Å; M189-F193 HydrophobicContact SD-CE2 3.57Å; M189-F193 VanDerWaalsContact SD-CE2 3.57Å; M189-F193 HydrophobicContact SD-CZ 4.26Å; R190-F193 PolarHBondContact O-N 3.24Å; S191-F193 PolarHBondContact O-N 3.21Å; F193-S195 PolarHBondContact O-N 3.16Å; F193-S195 VanDerWaalsContact O-N 3.16Å
194	S	73.6	Confident	74.6	Confident	78 Å²	78	125.4 Å²	125.4	55%	0.545	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	7.5	-179.1	65.2	0	0	0	0	114.3	R190 S191 Q196	R190-S194 WeakPolarHBondContact O-CB 3.33Å; R190-S194 PolarHBondContact O-N 3.34Å; R190-S194 PolarHBondContact O-OG 2.97Å; S191-S194 PolarHBondContact O-OG 2.77Å; S194-Q196 PolarHBondContact O-N 3.24Å
195	S	65.2	Low	73.3	Confident	100 Å²	100	131.6 Å²	131.6	70%	0.699	69%	0.69	S	S	*	*			trans	-68	80.3	163.8	-70.9	0	0	0	0	109.3	F193 S197	F193-S195 PolarHBondContact O-N 3.16Å; F193-S195 VanDerWaalsContact O-N 3.16Å; S195-S197 PolarHBondContact O-N 3.03Å
196	Q	61.3	Low	71.7	Confident	158 Å²	158	130.4 Å²	130.4	74%	0.738	70%	0.695	S	S	*	*			trans	-49.5	116.5	168.7	-69.4	-81.7	83.6	0	0	107.1	S194 N198	S194-Q196 PolarHBondContact O-N 3.24Å; Q196-N198 PolarHBondContact O-N 2.79Å
197	S	56	Low	70.2	Confident	96 Å²	96	135.3 Å²	135.3	67%	0.671	72%	0.715	S	S	*	*			trans	-61.3	77.5	157.8	66.2	0	0	0	0	107.6	S195 Q199	S195-S197 PolarHBondContact O-N 3.03Å; S197-Q199 PolarHBondContact O-N 2.71Å
198	N	54.1	Low	68.7	Low	152 Å²	152	135.4 Å²	135.4	81%	0.813	73%	0.725	S	S	*	*			trans	-66.4	74.2	144.7	-82.9	-24.7	0	0	0	104.7	Q196 R200	Q196-N198 PolarHBondContact O-N 2.79Å; N198-R200 VanDerWaalsContact C-N 3.33Å; N198-R200 PolarHBondContact O-N 2.78Å
199	Q	53.1	Low	67.4	Low	168 Å²	168	136 Å²	136	79%	0.785	73%	0.729	S	S	*	*			trans	-52.9	109.3	165.5	-71	-159.1	-48.7	0	0	105	S197 S201	S197-Q199 PolarHBondContact O-N 2.71Å; Q199-S201 PolarHBondContact O-N 3.04Å
200	R	49.8	Very low	66	Low	235 Å²	235	136.3 Å²	136.3	89%	0.887	74%	0.74	S	S	*	*			trans	7.6	96.7	141.7	-64.2	175.2	179.6	175.1	-1	110.4	N198 A202	N198-R200 VanDerWaalsContact C-N 3.33Å; N198-R200 PolarHBondContact O-N 2.78Å; R200-A202 PolarHBondContact O-N 2.9Å
201	S	51.5	Low	64.5	Low	122 Å²	122	135.3 Å²	135.3	85%	0.853	74%	0.743	S	S	*	*			trans	-54.5	97.6	146.3	-178.2	0	0	0	0	104.5	Q199 K203	Q199-S201 PolarHBondContact O-N 3.04Å; S201-K203 VanDerWaalsContact C-N 3.3Å; S201-K203 PolarHBondContact O-N 3.15Å
202	A	56.5	Low	63	Low	83 Å²	83	139 Å²	139	69%	0.686	76%	0.755	S	S	*	*			trans	-61.1	101	177	0	0	0	0	0	105	R200 P204	R200-A202 PolarHBondContact O-N 2.9Å; A202-P204 VanDerWaalsContact O-CD 3.26Å; A202-P204 WeakPolarHBondContact O-CD 3.26Å; A202-P204 VanDerWaalsContact O-N 3.09Å
203	K	63.4	Low	61.9	Low	188 Å²	188	139.5 Å²	139.5	82%	0.817	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-58.9	116.5	169.5	-166.3	169	-172.9	179.8	0	105.3	S201 I205	S201-K203 VanDerWaalsContact C-N 3.3Å; S201-K203 PolarHBondContact O-N 3.15Å; K203-I205 PolarHBondContact O-N 2.86Å; K203-I205 VanDerWaalsContact O-N 3.15Å
204	P	57.8	Low	60.7	Low	113 Å²	113	138.5 Å²	138.5	73%	0.734	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-61.8	124.5	-176.7	22.1	-29.3	0	0	0	108	A202 P206	A202-P204 VanDerWaalsContact O-CD 3.26Å; A202-P204 WeakPolarHBondContact O-CD 3.26Å; A202-P204 VanDerWaalsContact O-N 3.09Å; P204-P206 WeakPolarHBondContact O-CD 3.47Å
205	I	71	Confident	59.8	Low	159 Å²	159	141.4 Å²	141.4	82%	0.815	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.3	122.3	173.4	-61.4	164.6	0	0	0	106	K203 M207	K203-I205 PolarHBondContact O-N 2.86Å; K203-I205 VanDerWaalsContact O-N 3.15Å; I205-M207 PolarHBondContact O-N 3.27Å
206	P	62.4	Low	59.6	Low	113 Å²	113	139.8 Å²	139.8	73%	0.734	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.8	126.4	178.2	23.6	-29.6	0	0	0	109.4	P204 S208	P204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-S208 PolarHBondContact O-N 3.19Å; P206-S208 VanDerWaalsContact O-N 3.07Å
207	M	62.6	Low	59.5	Low	182 Å²	182	145.8 Å²	145.8	90%	0.897	80%	0.803	S	S	*	*			trans	-68.2	101.7	175.9	-156.7	179.1	-63.4	0	0	108	I205 T209	I205-M207 PolarHBondContact O-N 3.27Å; M207-T209 PolarHBondContact O-N 3.07Å
208	S	62.5	Low	59.7	Low	111 Å²	111	148.3 Å²	148.3	78%	0.776	81%	0.81	S	S	*	*			trans	-70.1	107.4	170	57.5	0	0	0	0	108.9	P206	P206-S208 PolarHBondContact O-N 3.19Å; P206-S208 VanDerWaalsContact O-N 3.07Å
209	T	67.5	Low	60	Low	119 Å²	119	148.1 Å²	148.1	73%	0.73	81%	0.81	S	S	*	*			trans	-61.2	134.1	173.2	-11.4	0	0	0	0	109.7	M207 Q211	M207-T209 PolarHBondContact O-N 3.07Å; T209-Q211 PolarHBondContact O-N 3.35Å
210	P	63.4	Low	60.4	Low	120 Å²	120	146.9 Å²	146.9	78%	0.779	81%	0.811	S	S	*	*			trans	-67.5	126.7	175.7	-8	22	0	0	0	109.7	L212	P210-L212 PolarHBondContact O-N 3.15Å; P210-L212 VanDerWaalsContact O-N 3.15Å
211	Q	60.1	Low	61	Low	161 Å²	161	141.8 Å²	141.8	75%	0.752	81%	0.807	S	S	*	*			trans	-66.8	109.2	170.3	-68.3	-72.2	-38.2	0	0	108.4	T209 H213	T209-Q211 PolarHBondContact O-N 3.35Å; Q211-H213 PolarHBondContact O-N 3.11Å; Q211-H213 VanDerWaalsContact O-N 3.11Å
212	L	57.3	Low	61.6	Low	155 Å²	155	143 Å²	143	81%	0.812	80%	0.804	S	S	*	*			trans	-74.1	95.6	172.8	-155.9	91.9	0	0	0	107.6	P210 T214	P210-L212 PolarHBondContact O-N 3.15Å; P210-L212 VanDerWaalsContact O-N 3.15Å; L212-T214 PolarHBondContact O-N 3.11Å; L212-T214 VanDerWaalsContact O-N 3.11Å
213	H	63.7	Low	61.9	Low	171 Å²	171	147 Å²	147	79%	0.792	81%	0.812	S	S	*	*			trans	-72.4	103.1	169	-76.4	-85.7	0	0	0	108.6	Q211 V215	Q211-H213 PolarHBondContact O-N 3.11Å; Q211-H213 VanDerWaalsContact O-N 3.11Å; H213-V215 PolarHBondContact O-N 3.5Å
214	T	62.8	Low	61.8	Low	125 Å²	125	144.1 Å²	144.1	77%	0.767	81%	0.811	S	S	*	*			trans	-63.6	125.4	169.2	36.4	0	0	0	0	110.5	L212 G216	L212-T214 PolarHBondContact O-N 3.11Å; L212-T214 VanDerWaalsContact O-N 3.11Å; T214-G216 PolarHBondContact O-N 3.33Å
215	V	53.2	Low	62.1	Low	138 Å²	138	146.5 Å²	146.5	84%	0.836	82%	0.817	S	S	*	*			trans	-69.3	112.5	167.3	-178.6	0	0	0	0	107.5	H213	H213-V215 PolarHBondContact O-N 3.5Å
216	G	61.5	Low	61.4	Low	67 Å²	67	145.4 Å²	145.4	69%	0.691	82%	0.817	S	S	*	*			trans	-79.5	134.1	169	0	0	0	0	0	110	T214	T214-G216 PolarHBondContact O-N 3.33Å
217	F	59.6	Low	61.3	Low	283 Å²	283	148.4 Å²	148.4	100%	1.241	83%	0.825	S	S	*	*			trans	-53.4	0	178.6	-68.5	-92.6	0	0	0	114.4

Retrieved 217 of 217 residues in 90.5 ms (Link to these results)

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