A0A087WPN2_MOUSE Loading...

Predicted gene 3604

AlphaFold DB , UniProt , Accession A0A087WPN2, Species MOUSE (Mus musculus, Mouse), Gene Gm3604, Length 559 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	38.8	Very low	60.3	Low	245 Å²	245	102.2 Å²	102.2	100%	1.207	56%	0.558	S	S	*	*				0	115.8	0	-78.9	174.3	176.9	0	0	106.4
2	N	45.9	Very low	61.2	Low	165 Å²	165	104.4 Å²	104.4	88%	0.882	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-66	136.9	173.5	-70.7	-10	0	0	0	108.3	V4	N2-V4 PolarHBondContact O-N 3.46Å
3	A	61.6	Low	61.7	Low	84 Å²	84	101.8 Å²	101.8	69%	0.694	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-65.2	125.4	178.6	0	0	0	0	0	108.9	T5	A3-T5 PolarHBondContact O-N 3.02Å
4	V	58.1	Low	62.4	Low	85 Å²	85	99.6 Å²	99.6	52%	0.515	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-62.4	120.3	173.2	179.1	0	0	0	0	108	N2 D8 V9	N2-V4 PolarHBondContact O-N 3.46Å; V4-D8 HydrophobicContact CG1-CB 4.01Å; V4-V9 HydrophobicContact CG1-CG1 3.83Å
5	T	62.6	Low	62.2	Low	51 Å²	51	103.7 Å²	103.7	31%	0.313	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-93.9	168	179.5	69.7	0	0	0	0	110.7	A3 E7 D8 V9	A3-T5 PolarHBondContact O-N 3.02Å; T5-E7 VanDerWaalsContact C-N 3.25Å; T5-E7 PolarHBondContact O-N 3.29Å; T5-D8 WeakPolarHBondContact CB-OD2 3.44Å; T5-D8 PolarHBondContact N-OD2 3.14Å; T5-D8 WeakPolarHBondContact O-CB 2.84Å; T5-D8 PolarHBondContact O-N 3.49Å; T5-D8 VanDerWaalsContact OG1-CG 3.28Å; T5-D8 PolarHBondContact OG1-OD2 3.49Å; T5-V9 WeakPolarHBondContact O-CG2 3.37Å
6	Y	58.8	Low	62.4	Low	60 Å²	60	107.1 Å²	107.1	24%	0.235	57%	0.567	C	S	.	*	H	α-helix	trans	-58.9	-38.4	174.6	171.9	-96.3	0	0	0	112.6	D8 V9 H10 M33 L40 W47	Y6-D8 PolarHBondContact O-N 3.33Å; Y6-V9 PolarHBondContact O-N 3.33Å; Y6-V9 VanDerWaalsContact O-N 3.1Å; Y6-H10 HydrophobicContact CD1-CB 3.77Å; Y6-H10 HydrophobicContact CD2-CB 4.06Å; Y6-H10 HydrophobicContact CE1-CB 3.33Å; Y6-H10 AromaticContact CE1-CD2 3.81Å; Y6-H10 AromaticContact CE1-CG 3.35Å; Y6-H10 AromaticContact CE1-ND1 3.89Å; Y6-H10 HydrophobicContact CE2-CB 3.72Å; Y6-H10 AromaticContact CE2-CD2 3.63Å; Y6-H10 AromaticContact CE2-CG 3.85Å; Y6-H10 HydrophobicContact CG-CB 4.15Å; Y6-H10 AromaticContact CZ-CD2 3.09Å; Y6-H10 AromaticContact CZ-CG 3.14Å; Y6-H10 AromaticContact CZ-ND1 3.93Å; Y6-H10 AromaticContact CZ-NE2 3.84Å; Y6-H10 VanDerWaalsContact O-CB 3.23Å; Y6-H10 WeakPolarHBondContact O-CB 3.23Å; Y6-H10 PolarHBondContact O-N 2.75Å; Y6-H10 PolarHBondContact OH-CD2 2.86Å; Y6-H10 VanDerWaalsContact OH-CG 3.23Å; Y6-H10 PolarHBondContact OH-NE2 3.12Å; Y6-H10 VanDerWaalsContact OH-NE2 3.07Å; Y6-M33 HydrophobicContact CE2-CE 4.21Å; Y6-L40 HydrophobicContact CD2-CD1 3.84Å; Y6-W47 AromaticContact CD1-CH2 3.54Å; Y6-W47 HydrophobicContact CD1-CH2 3.54Å; Y6-W47 HydrophobicContact CD1-CZ3 4.11Å; Y6-W47 AromaticContact CD2-CH2 3.5Å; Y6-W47 HydrophobicContact CD2-CH2 3.5Å; Y6-W47 VanDerWaalsContact CD2-CH2 3.5Å; Y6-W47 AromaticContact CD2-CZ3 3.31Å; Y6-W47 HydrophobicContact CD2-CZ3 3.31Å; Y6-W47 AromaticContact CE1-CH2 3.45Å; Y6-W47 HydrophobicContact CE1-CH2 3.45Å; Y6-W47 VanDerWaalsContact CE1-CH2 3.45Å; Y6-W47 HydrophobicContact CE1-CZ2 4.28Å; Y6-W47 HydrophobicContact CE1-CZ3 4.3Å; Y6-W47 AromaticContact CE2-CH2 3.33Å; Y6-W47 HydrophobicContact CE2-CH2 3.33Å; Y6-W47 AromaticContact CE2-CZ3 3.47Å; Y6-W47 HydrophobicContact CE2-CZ3 3.47Å; Y6-W47 VanDerWaalsContact CE2-CZ3 3.47Å; Y6-W47 AromaticContact CG-CH2 3.53Å; Y6-W47 HydrophobicContact CG-CH2 3.53Å; Y6-W47 AromaticContact CG-CZ3 3.59Å; Y6-W47 HydrophobicContact CG-CZ3 3.59Å; Y6-W47 AromaticContact CZ-CH2 3.27Å; Y6-W47 AromaticContact CZ-CZ3 3.94Å
7	E	61.8	Low	62.9	Low	157 Å²	157	106.2 Å²	106.2	73%	0.734	56%	0.559	S	S	*	*	H	α-helix	trans	-62.8	-27.5	-179.9	-65.3	-178.9	167.9	0	0	111.7	T5 V9	T5-E7 VanDerWaalsContact C-N 3.25Å; T5-E7 PolarHBondContact O-N 3.29Å; E7-V9 VanDerWaalsContact C-N 3.35Å
8	D	67.8	Low	64	Low	110 Å²	110	104.6 Å²	104.6	59%	0.588	54%	0.544	S	S	*	.	H	α-helix	trans	-74.7	-22.3	177.1	-59.4	-51	0	0	0	113.6	V4 T5 Y6	V4-D8 HydrophobicContact CG1-CB 4.01Å; T5-D8 WeakPolarHBondContact CB-OD2 3.44Å; T5-D8 PolarHBondContact N-OD2 3.14Å; T5-D8 WeakPolarHBondContact O-CB 2.84Å; T5-D8 PolarHBondContact O-N 3.49Å; T5-D8 VanDerWaalsContact OG1-CG 3.28Å; T5-D8 PolarHBondContact OG1-OD2 3.49Å; Y6-D8 PolarHBondContact O-N 3.33Å
9	V	71.7	Confident	64.8	Low	58 Å²	58	102.8 Å²	102.8	35%	0.352	55%	0.546	S	S	.	.	H	α-helix	trans	-118	-11.8	-174.5	-77.2	0	0	0	0	114.3	V4 T5 Y6 E7 T36 L40	V4-V9 HydrophobicContact CG1-CG1 3.83Å; T5-V9 WeakPolarHBondContact O-CG2 3.37Å; Y6-V9 PolarHBondContact O-N 3.33Å; Y6-V9 VanDerWaalsContact O-N 3.1Å; E7-V9 VanDerWaalsContact C-N 3.35Å; V9-T36 HydrophobicContact CB-CG2 3.9Å; V9-T36 HydrophobicContact CG2-CG2 3.59Å; V9-L40 HydrophobicContact CG2-CD1 4.31Å
10	H	66.3	Low	65.5	Low	27 Å²	27	105.3 Å²	105.3	13%	0.125	56%	0.559	C	S	.	*			trans	-89	127.2	-178.4	-178.8	-95.8	0	0	0	112.9	Y6 N12 Y29 M33	Y6-H10 HydrophobicContact CD1-CB 3.77Å; Y6-H10 HydrophobicContact CD2-CB 4.06Å; Y6-H10 HydrophobicContact CE1-CB 3.33Å; Y6-H10 AromaticContact CE1-CD2 3.81Å; Y6-H10 AromaticContact CE1-CG 3.35Å; Y6-H10 AromaticContact CE1-ND1 3.89Å; Y6-H10 HydrophobicContact CE2-CB 3.72Å; Y6-H10 AromaticContact CE2-CD2 3.63Å; Y6-H10 AromaticContact CE2-CG 3.85Å; Y6-H10 HydrophobicContact CG-CB 4.15Å; Y6-H10 AromaticContact CZ-CD2 3.09Å; Y6-H10 AromaticContact CZ-CG 3.14Å; Y6-H10 AromaticContact CZ-ND1 3.93Å; Y6-H10 AromaticContact CZ-NE2 3.84Å; Y6-H10 VanDerWaalsContact O-CB 3.23Å; Y6-H10 WeakPolarHBondContact O-CB 3.23Å; Y6-H10 PolarHBondContact O-N 2.75Å; Y6-H10 PolarHBondContact OH-CD2 2.86Å; Y6-H10 VanDerWaalsContact OH-CG 3.23Å; Y6-H10 PolarHBondContact OH-NE2 3.12Å; Y6-H10 VanDerWaalsContact OH-NE2 3.07Å; H10-N12 PolarHBondContact CE1-OD1 3.19Å; H10-N12 VanDerWaalsContact ND1-CG 3.34Å; H10-N12 PolarHBondContact ND1-ND2 3.41Å; H10-N12 PolarHBondContact ND1-OD1 3.42Å; H10-Y29 PolarHBondContact NE2-OH 3.22Å; H10-M33 WeakPolarHBondContact CD2-CE 3.41Å; H10-M33 VanDerWaalsContact CD2-SD 3.51Å
11	V	70.1	Confident	66.1	Low	82 Å²	82	101.4 Å²	101.4	50%	0.497	54%	0.538	S	S	.	.			trans	-97.4	115.2	170.9	-178.6	0	0	0	0	108.9	F13 Y29	V11-F13 HydrophobicContact CG1-CE2 4.14Å; V11-F13 HydrophobicContact CG1-CZ 4.29Å; V11-Y29 HydrophobicContact CB-CE2 4.28Å; V11-Y29 WeakPolarHBondContact O-CE2 3.26Å; V11-Y29 PolarHBondContact O-OH 3.48Å
12	N	70.3	Confident	68	Low	129 Å²	129	92.8 Å²	92.8	69%	0.69	50%	0.497	S	S	*	.			trans	-87.2	134.7	170.6	-77.7	-66.9	0	0	0	109.3	H10	H10-N12 PolarHBondContact CE1-OD1 3.19Å; H10-N12 VanDerWaalsContact ND1-CG 3.34Å; H10-N12 PolarHBondContact ND1-ND2 3.41Å; H10-N12 PolarHBondContact ND1-OD1 3.42Å
13	F	68.7	Low	69.5	Low	70 Å²	70	89.9 Å²	89.9	31%	0.307	49%	0.487	S	S	.	.			trans	-105	134.4	163.2	-73.6	-75.7	0	0	0	108.5	V11 E17 W18 L21 Y29	V11-F13 HydrophobicContact CG1-CE2 4.14Å; V11-F13 HydrophobicContact CG1-CZ 4.29Å; F13-E17 HydrophobicContact CB-CB 4.36Å; F13-E17 HydrophobicContact CD1-CB 3.83Å; F13-W18 HydrophobicContact CB-CB 4.12Å; F13-W18 HydrophobicContact CB-CE3 4.06Å; F13-W18 AromaticContact CD2-CE3 3.82Å; F13-W18 HydrophobicContact CD2-CE3 3.82Å; F13-W18 HydrophobicContact CD2-CZ3 4.04Å; F13-W18 HydrophobicContact CG-CE3 4.11Å; F13-L21 HydrophobicContact CD1-CD1 4.01Å; F13-L21 HydrophobicContact CD2-CD1 3.92Å; F13-L21 HydrophobicContact CE1-CD1 3.83Å; F13-L21 HydrophobicContact CE1-CD2 3.92Å; F13-L21 HydrophobicContact CE1-CG 4.25Å; F13-L21 HydrophobicContact CE2-CD1 3.73Å; F13-L21 HydrophobicContact CG-CD1 4.05Å; F13-L21 HydrophobicContact CZ-CD1 3.68Å; F13-L21 HydrophobicContact CZ-CD2 4.1Å; F13-L21 HydrophobicContact CZ-CG 4.44Å; F13-Y29 AromaticContact CD2-CD2 3.86Å; F13-Y29 HydrophobicContact CD2-CD2 3.86Å; F13-Y29 AromaticContact CD2-CE2 3.7Å; F13-Y29 HydrophobicContact CD2-CE2 3.7Å; F13-Y29 HydrophobicContact CD2-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.43Å; F13-Y29 HydrophobicContact CE2-CD2 3.43Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.43Å; F13-Y29 AromaticContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CG 4.07Å
14	T	71.3	Confident	70.3	Confident	71 Å²	71	89.6 Å²	89.6	44%	0.436	48%	0.48	S	S	.	.			trans	-64.1	162.5	163	69	0	0	0	0	109.7	E16 E17 W18	T14-E16 PolarHBondContact O-N 3.41Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.39Å; T14-E17 PolarHBondContact N-OE2 3Å; T14-E17 PolarHBondContact O-N 3.06Å; T14-E17 WeakPolarHBondContact OG1-CG 3.39Å; T14-E17 PolarHBondContact OG1-N 3.46Å; T14-E17 VanDerWaalsContact OG1-N 3.16Å; T14-E17 PolarHBondContact OG1-OE2 3.49Å; T14-W18 WeakPolarHBondContact O-CB 3.36Å; T14-W18 PolarHBondContact O-N 2.98Å
15	Q	58.7	Low	70.9	Confident	162 Å²	162	89.6 Å²	89.6	76%	0.757	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-33.2	178.9	-172.5	171.8	-16.1	0	0	112.1	A19	Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.29Å; Q15-A19 VanDerWaalsContact O-N 3.07Å
16	E	66.1	Low	71.7	Confident	157 Å²	157	89.7 Å²	89.7	73%	0.734	47%	0.47	S	S	*	.	H	α-helix	trans	-68	-49.3	175.7	-68.5	158	-160.5	0	0	111	T14 W18 A19 L20	T14-E16 PolarHBondContact O-N 3.41Å; E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 3.19Å; E16-A19 WeakPolarHBondContact O-CB 3.26Å; E16-A19 PolarHBondContact O-N 2.92Å; E16-A19 VanDerWaalsContact O-N 3.16Å; E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.11Å
17	E	70.6	Confident	72.4	Confident	92 Å²	92	90.5 Å²	90.5	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-41.3	177.1	-66.6	165	155.9	0	0	111.6	F13 T14 A19 L20 L21	F13-E17 HydrophobicContact CB-CB 4.36Å; F13-E17 HydrophobicContact CD1-CB 3.83Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.39Å; T14-E17 PolarHBondContact N-OE2 3Å; T14-E17 PolarHBondContact O-N 3.06Å; T14-E17 WeakPolarHBondContact OG1-CG 3.39Å; T14-E17 PolarHBondContact OG1-N 3.46Å; T14-E17 VanDerWaalsContact OG1-N 3.16Å; T14-E17 PolarHBondContact OG1-OE2 3.49Å; E17-A19 VanDerWaalsContact C-N 3.27Å; E17-A19 PolarHBondContact O-N 3.37Å; E17-L20 WeakPolarHBondContact O-CB 3.38Å; E17-L20 PolarHBondContact O-N 3.01Å; E17-L20 VanDerWaalsContact O-N 3.12Å; E17-L21 PolarHBondContact O-N 3.24Å
18	W	82.7	Confident	72.9	Confident	77 Å²	77	88.3 Å²	88.3	29%	0.292	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-34.7	176.2	-174.1	-98.9	0	0	0	112	F13 T14 E16 L20 L21 K26 Y29	F13-W18 HydrophobicContact CB-CB 4.12Å; F13-W18 HydrophobicContact CB-CE3 4.06Å; F13-W18 AromaticContact CD2-CE3 3.82Å; F13-W18 HydrophobicContact CD2-CE3 3.82Å; F13-W18 HydrophobicContact CD2-CZ3 4.04Å; F13-W18 HydrophobicContact CG-CE3 4.11Å; T14-W18 WeakPolarHBondContact O-CB 3.36Å; T14-W18 PolarHBondContact O-N 2.98Å; E16-W18 VanDerWaalsContact C-N 3.34Å; E16-W18 PolarHBondContact O-N 3.19Å; W18-L20 VanDerWaalsContact C-N 3.3Å; W18-L20 PolarHBondContact O-N 3.27Å; W18-L21 HydrophobicContact CD2-CD1 4.35Å; W18-L21 HydrophobicContact CE3-CD1 3.61Å; W18-L21 HydrophobicContact CZ3-CD1 3.89Å; W18-L21 PolarHBondContact O-N 2.83Å; W18-K26 HydrophobicContact CD2-CG 4.48Å; W18-K26 HydrophobicContact CH2-CB 4.04Å; W18-K26 HydrophobicContact CH2-CG 3.95Å; W18-K26 HydrophobicContact CZ2-CB 4.02Å; W18-K26 HydrophobicContact CZ2-CD 4.17Å; W18-K26 HydrophobicContact CZ2-CG 3.73Å; W18-K26 HydrophobicContact CZ3-CG 4.42Å; W18-K26 WeakPolarHBondContact O-CE 3.45Å; W18-K26 PolarHBondContact O-NZ 3.02Å; W18-Y29 HydrophobicContact CE3-CD1 4.46Å; W18-Y29 AromaticContact CH2-CD1 3.46Å; W18-Y29 HydrophobicContact CH2-CD1 3.46Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.46Å; W18-Y29 HydrophobicContact CH2-CE1 4.07Å; W18-Y29 HydrophobicContact CH2-CG 4.15Å; W18-Y29 AromaticContact CZ3-CD1 3.24Å; W18-Y29 HydrophobicContact CZ3-CD1 3.24Å; W18-Y29 AromaticContact CZ3-CE1 3.67Å; W18-Y29 HydrophobicContact CZ3-CE1 3.67Å; W18-Y29 AromaticContact CZ3-CG 3.69Å; W18-Y29 HydrophobicContact CZ3-CG 3.69Å
19	A	79	Confident	73.3	Confident	72 Å²	72	85.5 Å²	85.5	60%	0.595	46%	0.456	S	S	*	.	H	α-helix	trans	-65.3	-35.7	175.8	0	0	0	0	0	111.7	Q15 E16 E17 L21	Q15-A19 WeakPolarHBondContact O-CB 3.42Å; Q15-A19 PolarHBondContact O-N 3.29Å; Q15-A19 VanDerWaalsContact O-N 3.07Å; E16-A19 WeakPolarHBondContact O-CB 3.26Å; E16-A19 PolarHBondContact O-N 2.92Å; E16-A19 VanDerWaalsContact O-N 3.16Å; E17-A19 VanDerWaalsContact C-N 3.27Å; E17-A19 PolarHBondContact O-N 3.37Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.47Å
20	L	80	Confident	73.6	Confident	151 Å²	151	88.9 Å²	88.9	79%	0.791	47%	0.466	S	S	*	.	H	α-helix	trans	-73.1	-20.3	178.8	-64.3	172.4	0	0	0	114	E16 E17 W18	E16-L20 WeakPolarHBondContact O-CG 3.49Å; E16-L20 PolarHBondContact O-N 3.11Å; E17-L20 WeakPolarHBondContact O-CB 3.38Å; E17-L20 PolarHBondContact O-N 3.01Å; E17-L20 VanDerWaalsContact O-N 3.12Å; W18-L20 VanDerWaalsContact C-N 3.3Å; W18-L20 PolarHBondContact O-N 3.27Å
21	L	77	Confident	73.6	Confident	24 Å²	24	92.2 Å²	92.2	13%	0.126	49%	0.485	C	S	.	.	S	Bend	trans	-69.5	133.4	179.2	-62.8	177.6	0	0	0	112.3	F13 E17 W18 A19 Q25 K26	F13-L21 HydrophobicContact CD1-CD1 4.01Å; F13-L21 HydrophobicContact CD2-CD1 3.92Å; F13-L21 HydrophobicContact CE1-CD1 3.83Å; F13-L21 HydrophobicContact CE1-CD2 3.92Å; F13-L21 HydrophobicContact CE1-CG 4.25Å; F13-L21 HydrophobicContact CE2-CD1 3.73Å; F13-L21 HydrophobicContact CG-CD1 4.05Å; F13-L21 HydrophobicContact CZ-CD1 3.68Å; F13-L21 HydrophobicContact CZ-CD2 4.1Å; F13-L21 HydrophobicContact CZ-CG 4.44Å; E17-L21 PolarHBondContact O-N 3.24Å; W18-L21 HydrophobicContact CD2-CD1 4.35Å; W18-L21 HydrophobicContact CE3-CD1 3.61Å; W18-L21 HydrophobicContact CZ3-CD1 3.89Å; W18-L21 PolarHBondContact O-N 2.83Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 3.47Å; L21-Q25 VanDerWaalsContact CA-OE1 3.27Å; L21-Q25 HydrophobicContact CB-CB 4.06Å; L21-Q25 HydrophobicContact CD2-CB 4.09Å; L21-Q25 VanDerWaalsContact CD2-OE1 3.3Å; L21-Q25 HydrophobicContact CG-CB 4.5Å; L21-K26 HydrophobicContact CB-CD 4.49Å; L21-K26 HydrophobicContact CB-CG 3.82Å; L21-K26 HydrophobicContact CD1-CG 4.4Å; L21-K26 VanDerWaalsContact O-CE 3.31Å; L21-K26 WeakPolarHBondContact O-CE 3.36Å; L21-K26 PolarHBondContact O-NZ 3.31Å
22	D	79.7	Confident	73.7	Confident	65 Å²	65	92 Å²	92	35%	0.348	48%	0.483	S	S	.	.			trans	-72.2	163	172.7	83.9	77.2	0	0	0	111.5	S24 Q25 K26	D22-S24 PolarHBondContact O-N 2.96Å; D22-S24 WeakPolarHBondContact OD1-CA 3.43Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.42Å; D22-S24 PolarHBondContact OD1-N 3.43Å; D22-S24 PolarHBondContact OD1-OG 3.35Å; D22-Q25 PolarHBondContact O-N 2.92Å; D22-Q25 VanDerWaalsContact O-N 3.16Å; D22-Q25 PolarHBondContact OD1-N 2.81Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.34Å; D22-Q25 PolarHBondContact OD2-OE1 3.12Å; D22-K26 PolarHBondContact O-N 3.22Å
23	P	77.4	Confident	74	Confident	103 Å²	103	87.3 Å²	87.3	67%	0.669	46%	0.458	S	S	*	.	H	α-helix	trans	-57.3	-31.6	-176.8	-26.4	35.8	0	0	0	114.8	T27	P23-T27 WeakPolarHBondContact O-CB 3.48Å; P23-T27 PolarHBondContact O-N 3.08Å; P23-T27 PolarHBondContact O-OG1 3.4Å
24	S	77	Confident	74.2	Confident	78 Å²	78	87.9 Å²	87.9	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-71.1	-42.8	178	74.6	0	0	0	0	111	D22 T27 L28	D22-S24 PolarHBondContact O-N 2.96Å; D22-S24 WeakPolarHBondContact OD1-CA 3.43Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.42Å; D22-S24 PolarHBondContact OD1-N 3.43Å; D22-S24 PolarHBondContact OD1-OG 3.35Å; S24-T27 PolarHBondContact O-N 2.81Å; S24-L28 WeakPolarHBondContact O-CB 3.37Å; S24-L28 PolarHBondContact O-N 3.28Å
25	Q	70.6	Confident	74	Confident	85 Å²	85	88.5 Å²	88.5	40%	0.397	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-43.7	173.6	-72.8	171.3	-21.4	0	0	112.2	L21 D22 T27 L28 Y29	L21-Q25 VanDerWaalsContact CA-OE1 3.27Å; L21-Q25 HydrophobicContact CB-CB 4.06Å; L21-Q25 HydrophobicContact CD2-CB 4.09Å; L21-Q25 VanDerWaalsContact CD2-OE1 3.3Å; L21-Q25 HydrophobicContact CG-CB 4.5Å; D22-Q25 PolarHBondContact O-N 2.92Å; D22-Q25 VanDerWaalsContact O-N 3.16Å; D22-Q25 PolarHBondContact OD1-N 2.81Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.34Å; D22-Q25 PolarHBondContact OD2-OE1 3.12Å; Q25-T27 VanDerWaalsContact C-N 3.27Å; Q25-T27 PolarHBondContact O-N 2.86Å; Q25-L28 PolarHBondContact O-N 3.12Å; Q25-Y29 WeakPolarHBondContact O-CB 3.45Å; Q25-Y29 PolarHBondContact O-N 3.5Å
26	K	80.5	Confident	74.4	Confident	53 Å²	53	81.8 Å²	81.8	23%	0.23	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-34.8	175.1	-72.4	174.6	168.3	136.4	0	112.6	W18 L21 D22 K30	W18-K26 HydrophobicContact CD2-CG 4.48Å; W18-K26 HydrophobicContact CH2-CB 4.04Å; W18-K26 HydrophobicContact CH2-CG 3.95Å; W18-K26 HydrophobicContact CZ2-CB 4.02Å; W18-K26 HydrophobicContact CZ2-CD 4.17Å; W18-K26 HydrophobicContact CZ2-CG 3.73Å; W18-K26 HydrophobicContact CZ3-CG 4.42Å; W18-K26 WeakPolarHBondContact O-CE 3.45Å; W18-K26 PolarHBondContact O-NZ 3.02Å; L21-K26 HydrophobicContact CB-CD 4.49Å; L21-K26 HydrophobicContact CB-CG 3.82Å; L21-K26 HydrophobicContact CD1-CG 4.4Å; L21-K26 VanDerWaalsContact O-CE 3.31Å; L21-K26 WeakPolarHBondContact O-CE 3.36Å; L21-K26 PolarHBondContact O-NZ 3.31Å; D22-K26 PolarHBondContact O-N 3.22Å; K26-K30 VanDerWaalsContact O-CG 3.3Å; K26-K30 WeakPolarHBondContact O-CG 3.44Å; K26-K30 PolarHBondContact O-N 3.44Å
27	T	72.5	Confident	74.2	Confident	78 Å²	78	79.6 Å²	79.6	48%	0.479	42%	0.42	S	S	.	.	H	α-helix	trans	-72.4	-47.8	177.1	-57.8	0	0	0	0	110.4	P23 S24 Q25 Y29 K30 D31	P23-T27 WeakPolarHBondContact O-CB 3.48Å; P23-T27 PolarHBondContact O-N 3.08Å; P23-T27 PolarHBondContact O-OG1 3.4Å; S24-T27 PolarHBondContact O-N 2.81Å; Q25-T27 VanDerWaalsContact C-N 3.27Å; Q25-T27 PolarHBondContact O-N 2.86Å; T27-Y29 VanDerWaalsContact C-N 3.31Å; T27-Y29 PolarHBondContact O-N 2.96Å; T27-K30 WeakPolarHBondContact O-CB 3.12Å; T27-K30 PolarHBondContact O-N 3.47Å; T27-K30 VanDerWaalsContact O-N 3.12Å; T27-D31 PolarHBondContact O-N 3.17Å
28	L	72.7	Confident	74.1	Confident	110 Å²	110	81.6 Å²	81.6	58%	0.576	42%	0.423	S	S	*	.	H	α-helix	trans	-57.5	-44.3	175.9	-179.1	62.8	0	0	0	111.5	S24 Q25 K30 D31 V32	S24-L28 WeakPolarHBondContact O-CB 3.37Å; S24-L28 PolarHBondContact O-N 3.28Å; Q25-L28 PolarHBondContact O-N 3.12Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.91Å; L28-D31 PolarHBondContact O-N 2.82Å; L28-V32 HydrophobicContact CD1-CG2 4.16Å; L28-V32 HydrophobicContact CG-CG2 4.35Å; L28-V32 WeakPolarHBondContact O-CB 3.4Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.47Å
29	Y	77	Confident	73.6	Confident	51 Å²	51	82.2 Å²	82.2	20%	0.2	43%	0.433	C	S	.	.	H	α-helix	trans	-57.1	-46.8	175.4	176.6	-100	0	0	0	112.2	H10 V11 F13 W18 Q25 T27 D31 V32 M33	H10-Y29 PolarHBondContact NE2-OH 3.22Å; V11-Y29 HydrophobicContact CB-CE2 4.28Å; V11-Y29 WeakPolarHBondContact O-CE2 3.26Å; V11-Y29 PolarHBondContact O-OH 3.48Å; F13-Y29 AromaticContact CD2-CD2 3.86Å; F13-Y29 HydrophobicContact CD2-CD2 3.86Å; F13-Y29 AromaticContact CD2-CE2 3.7Å; F13-Y29 HydrophobicContact CD2-CE2 3.7Å; F13-Y29 HydrophobicContact CD2-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.43Å; F13-Y29 HydrophobicContact CE2-CD2 3.43Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.43Å; F13-Y29 AromaticContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CG 4.07Å; W18-Y29 HydrophobicContact CE3-CD1 4.46Å; W18-Y29 AromaticContact CH2-CD1 3.46Å; W18-Y29 HydrophobicContact CH2-CD1 3.46Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.46Å; W18-Y29 HydrophobicContact CH2-CE1 4.07Å; W18-Y29 HydrophobicContact CH2-CG 4.15Å; W18-Y29 AromaticContact CZ3-CD1 3.24Å; W18-Y29 HydrophobicContact CZ3-CD1 3.24Å; W18-Y29 AromaticContact CZ3-CE1 3.67Å; W18-Y29 HydrophobicContact CZ3-CE1 3.67Å; W18-Y29 AromaticContact CZ3-CG 3.69Å; W18-Y29 HydrophobicContact CZ3-CG 3.69Å; Q25-Y29 WeakPolarHBondContact O-CB 3.45Å; Q25-Y29 PolarHBondContact O-N 3.5Å; T27-Y29 VanDerWaalsContact C-N 3.31Å; T27-Y29 PolarHBondContact O-N 2.96Å; Y29-D31 VanDerWaalsContact C-N 3.31Å; Y29-D31 PolarHBondContact O-N 3.34Å; Y29-V32 PolarHBondContact O-N 3.34Å; Y29-M33 HydrophobicContact CD1-CG 4.18Å; Y29-M33 HydrophobicContact CD2-CG 4.13Å; Y29-M33 HydrophobicContact CE1-CG 3.82Å; Y29-M33 HydrophobicContact CE2-CG 3.74Å; Y29-M33 HydrophobicContact CE2-SD 4.26Å; Y29-M33 HydrophobicContact CG-CG 4.38Å; Y29-M33 VanDerWaalsContact O-CB 3.3Å; Y29-M33 WeakPolarHBondContact O-CB 3.48Å; Y29-M33 VanDerWaalsContact O-CG 3.3Å; Y29-M33 WeakPolarHBondContact O-CG 3.5Å; Y29-M33 PolarHBondContact O-N 3.44Å
30	K	76.7	Confident	72.9	Confident	129 Å²	129	79.5 Å²	79.5	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-62.3	-40.2	178.1	-73.1	171.6	-176.6	178.8	0	111.9	K26 T27 L28 L34	K26-K30 VanDerWaalsContact O-CG 3.3Å; K26-K30 WeakPolarHBondContact O-CG 3.44Å; K26-K30 PolarHBondContact O-N 3.44Å; T27-K30 WeakPolarHBondContact O-CB 3.12Å; T27-K30 PolarHBondContact O-N 3.47Å; T27-K30 VanDerWaalsContact O-N 3.12Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.91Å; K30-L34 VanDerWaalsContact O-CB 3.29Å; K30-L34 WeakPolarHBondContact O-CB 3.39Å; K30-L34 PolarHBondContact O-N 2.9Å
31	D	68	Low	72	Confident	98 Å²	98	76.2 Å²	76.2	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-67.7	-46.2	179.4	-71.8	-17.5	0	0	0	111.3	T27 L28 Y29 M33 L34 E35	T27-D31 PolarHBondContact O-N 3.17Å; L28-D31 PolarHBondContact O-N 2.82Å; Y29-D31 VanDerWaalsContact C-N 3.31Å; Y29-D31 PolarHBondContact O-N 3.34Å; D31-M33 PolarHBondContact O-N 3.15Å; D31-L34 PolarHBondContact O-N 3.03Å; D31-E35 WeakPolarHBondContact O-CB 3.43Å; D31-E35 PolarHBondContact O-N 3.22Å
32	V	71.1	Confident	71.4	Confident	76 Å²	76	79.1 Å²	79.1	46%	0.461	42%	0.418	S	S	.	.	H	α-helix	trans	-59.8	-47.1	175.1	172.6	0	0	0	0	110.2	L28 Y29 L34 E35 T36	L28-V32 HydrophobicContact CD1-CG2 4.16Å; L28-V32 HydrophobicContact CG-CG2 4.35Å; L28-V32 WeakPolarHBondContact O-CB 3.4Å; L28-V32 VanDerWaalsContact O-CG2 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.47Å; Y29-V32 PolarHBondContact O-N 3.34Å; V32-L34 PolarHBondContact O-N 2.76Å; V32-E35 PolarHBondContact O-N 2.92Å; V32-T36 PolarHBondContact O-N 3.46Å; V32-T36 PolarHBondContact O-OG1 2.96Å
33	M	77.6	Confident	70.8	Confident	31 Å²	31	81.7 Å²	81.7	15%	0.153	43%	0.431	C	S	.	.	H	α-helix	trans	-65	-37.4	-179.6	-76.6	-48.3	-42.1	0	0	113.5	Y6 H10 Y29 D31 E35 F37	Y6-M33 HydrophobicContact CE2-CE 4.21Å; H10-M33 WeakPolarHBondContact CD2-CE 3.41Å; H10-M33 VanDerWaalsContact CD2-SD 3.51Å; Y29-M33 HydrophobicContact CD1-CG 4.18Å; Y29-M33 HydrophobicContact CD2-CG 4.13Å; Y29-M33 HydrophobicContact CE1-CG 3.82Å; Y29-M33 HydrophobicContact CE2-CG 3.74Å; Y29-M33 HydrophobicContact CE2-SD 4.26Å; Y29-M33 HydrophobicContact CG-CG 4.38Å; Y29-M33 VanDerWaalsContact O-CB 3.3Å; Y29-M33 WeakPolarHBondContact O-CB 3.48Å; Y29-M33 VanDerWaalsContact O-CG 3.3Å; Y29-M33 WeakPolarHBondContact O-CG 3.5Å; Y29-M33 PolarHBondContact O-N 3.44Å; D31-M33 PolarHBondContact O-N 3.15Å; M33-E35 VanDerWaalsContact C-N 3.32Å; M33-F37 WeakPolarHBondContact O-CB 3.46Å; M33-F37 PolarHBondContact O-N 2.87Å
34	L	71.1	Confident	69.6	Low	82 Å²	82	79.8 Å²	79.8	43%	0.429	43%	0.43	S	S	.	.	H	α-helix	trans	-66.1	-37.6	174.8	-174.6	65.4	0	0	0	111.6	K30 D31 V32 R38	K30-L34 VanDerWaalsContact O-CB 3.29Å; K30-L34 WeakPolarHBondContact O-CB 3.39Å; K30-L34 PolarHBondContact O-N 2.9Å; D31-L34 PolarHBondContact O-N 3.03Å; V32-L34 PolarHBondContact O-N 2.76Å; L34-R38 WeakPolarHBondContact O-CG 3.22Å; L34-R38 PolarHBondContact O-N 3.06Å
35	E	69.1	Low	68.2	Low	85 Å²	85	80.4 Å²	80.4	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-71.4	-43.4	177.5	-164.9	59.9	-158	0	0	111.7	D31 V32 M33 F37 R38 N39	D31-E35 WeakPolarHBondContact O-CB 3.43Å; D31-E35 PolarHBondContact O-N 3.22Å; V32-E35 PolarHBondContact O-N 2.92Å; M33-E35 VanDerWaalsContact C-N 3.32Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.18Å; E35-R38 WeakPolarHBondContact O-CB 3.42Å; E35-R38 PolarHBondContact O-N 2.95Å; E35-R38 VanDerWaalsContact O-N 3.08Å; E35-R38 IonicContact OE2-NH1 3.05Å; E35-R38 PolarHBondContact OE2-NH1 3.27Å; E35-N39 PolarHBondContact O-N 2.77Å; E35-N39 PolarHBondContact O-ND2 3.02Å
36	T	67	Low	67	Low	21 Å²	21	82.6 Å²	82.6	13%	0.129	44%	0.437	C	S	.	.	H	α-helix	trans	-55.7	-44.2	171.9	-57.7	0	0	0	0	110.8	V9 V32 R38 N39 L40	V9-T36 HydrophobicContact CB-CG2 3.9Å; V9-T36 HydrophobicContact CG2-CG2 3.59Å; V32-T36 PolarHBondContact O-N 3.46Å; V32-T36 PolarHBondContact O-OG1 2.96Å; T36-R38 PolarHBondContact O-N 3.32Å; T36-N39 PolarHBondContact O-N 2.97Å; T36-L40 HydrophobicContact CG2-CD1 4.01Å; T36-L40 HydrophobicContact CG2-CG 4.38Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 WeakPolarHBondContact O-CG 3.43Å; T36-L40 PolarHBondContact O-N 2.92Å
37	F	61.9	Low	65.2	Low	111 Å²	111	85.1 Å²	85.1	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-39.1	175.8	-179.8	-104.2	0	0	0	113.3	M33 E35 N41	M33-F37 WeakPolarHBondContact O-CB 3.46Å; M33-F37 PolarHBondContact O-N 2.87Å; E35-F37 VanDerWaalsContact C-N 3.27Å; E35-F37 PolarHBondContact O-N 3.18Å; F37-N41 WeakPolarHBondContact CD1-ND2 3.46Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.44Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.22Å; F37-N41 WeakPolarHBondContact O-CB 3.31Å; F37-N41 PolarHBondContact O-N 3.02Å; F37-N41 PolarHBondContact O-ND2 3.02Å; F37-N41 VanDerWaalsContact O-ND2 3.13Å
38	R	68.5	Low	63.4	Low	134 Å²	134	89.6 Å²	89.6	51%	0.506	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-41.4	174.6	-74	170.4	-177.6	161.9	2.1	111.7	L34 E35 T36 N41 A42	L34-R38 WeakPolarHBondContact O-CG 3.22Å; L34-R38 PolarHBondContact O-N 3.06Å; E35-R38 WeakPolarHBondContact O-CB 3.42Å; E35-R38 PolarHBondContact O-N 2.95Å; E35-R38 VanDerWaalsContact O-N 3.08Å; E35-R38 IonicContact OE2-NH1 3.05Å; E35-R38 PolarHBondContact OE2-NH1 3.27Å; T36-R38 PolarHBondContact O-N 3.32Å; R38-N41 PolarHBondContact O-N 2.76Å; R38-A42 WeakPolarHBondContact O-CB 3.39Å; R38-A42 PolarHBondContact O-N 3.17Å
39	N	71.1	Confident	61.6	Low	90 Å²	90	88.8 Å²	88.8	48%	0.481	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-44.9	178.5	-70	-29.8	0	0	0	111.6	E35 T36 N41 A42 I43	E35-N39 PolarHBondContact O-N 2.77Å; E35-N39 PolarHBondContact O-ND2 3.02Å; T36-N39 PolarHBondContact O-N 2.97Å; N39-N41 PolarHBondContact O-N 2.9Å; N39-A42 WeakPolarHBondContact O-CB 3.46Å; N39-A42 PolarHBondContact O-N 3.4Å; N39-I43 PolarHBondContact O-N 3.41Å; N39-I43 VanDerWaalsContact O-N 3.16Å
40	L	64.6	Low	59.4	Low	15 Å²	15	94.1 Å²	94.1	8%	0.079	50%	0.497	C	S	.	.	H	α-helix	trans	-64	-39.5	176.5	-69.6	175.4	0	0	0	112.2	Y6 V9 T36 I43 G44 F45	Y6-L40 HydrophobicContact CD2-CD1 3.84Å; V9-L40 HydrophobicContact CG2-CD1 4.31Å; T36-L40 HydrophobicContact CG2-CD1 4.01Å; T36-L40 HydrophobicContact CG2-CG 4.38Å; T36-L40 WeakPolarHBondContact O-CB 3.43Å; T36-L40 WeakPolarHBondContact O-CG 3.43Å; T36-L40 PolarHBondContact O-N 2.92Å; L40-I43 HydrophobicContact CD2-CD1 3.94Å; L40-I43 WeakPolarHBondContact O-CG1 3.39Å; L40-I43 PolarHBondContact O-N 3.29Å; L40-G44 PolarHBondContact O-N 3Å; L40-F45 HydrophobicContact CB-CB 4.3Å; L40-F45 WeakPolarHBondContact O-CB 3.47Å; L40-F45 PolarHBondContact O-N 3.22Å
41	N	61.2	Low	57.4	Low	81 Å²	81	93.4 Å²	93.4	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-36.2	172.6	-80.4	-39.2	0	0	0	112.8	F37 R38 N39 I43 G44	F37-N41 WeakPolarHBondContact CD1-ND2 3.46Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.44Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.22Å; F37-N41 WeakPolarHBondContact O-CB 3.31Å; F37-N41 PolarHBondContact O-N 3.02Å; F37-N41 PolarHBondContact O-ND2 3.02Å; F37-N41 VanDerWaalsContact O-ND2 3.13Å; R38-N41 PolarHBondContact O-N 2.76Å; N39-N41 PolarHBondContact O-N 2.9Å; N41-I43 PolarHBondContact O-N 3.43Å; N41-G44 PolarHBondContact O-N 3.13Å; N41-G44 VanDerWaalsContact O-N 3.07Å
42	A	63.5	Low	55.8	Low	85 Å²	85	93.2 Å²	93.2	70%	0.702	50%	0.497	S	S	*	.	H	α-helix	trans	-65.5	-29.8	178.4	0	0	0	0	0	112.3	R38 N39 G44	R38-A42 WeakPolarHBondContact O-CB 3.39Å; R38-A42 PolarHBondContact O-N 3.17Å; N39-A42 WeakPolarHBondContact O-CB 3.46Å; N39-A42 PolarHBondContact O-N 3.4Å; A42-G44 VanDerWaalsContact C-N 3.32Å
43	I	67.4	Low	53.9	Low	119 Å²	119	97.2 Å²	97.2	61%	0.61	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	4.5	173.3	65.8	174.6	0	0	0	113.5	N39 L40 N41	N39-I43 PolarHBondContact O-N 3.41Å; N39-I43 VanDerWaalsContact O-N 3.16Å; L40-I43 HydrophobicContact CD2-CD1 3.94Å; L40-I43 WeakPolarHBondContact O-CG1 3.39Å; L40-I43 PolarHBondContact O-N 3.29Å; N41-I43 PolarHBondContact O-N 3.43Å
44	G	53	Low	51.6	Low	63 Å²	63	103 Å²	103	65%	0.649	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	17.1	173.9	0	0	0	0	0	115.4	L40 N41 A42 N46	L40-G44 PolarHBondContact O-N 3Å; N41-G44 PolarHBondContact O-N 3.13Å; N41-G44 VanDerWaalsContact O-N 3.07Å; A42-G44 VanDerWaalsContact C-N 3.32Å; G44-N46 PolarHBondContact O-N 3.31Å
45	F	46.5	Very low	49.8	Very low	92 Å²	92	106.5 Å²	106.5	40%	0.404	55%	0.546	S	S	.	.			trans	-70.3	122.9	177.2	-143.2	-90.3	0	0	0	110.2	L40	L40-F45 HydrophobicContact CB-CB 4.3Å; L40-F45 WeakPolarHBondContact O-CB 3.47Å; L40-F45 PolarHBondContact O-N 3.22Å
46	N	45.7	Very low	48	Very low	130 Å²	130	106.4 Å²	106.4	70%	0.695	55%	0.554	S	S	*	*			trans	-108	126.8	-179.9	-155.2	8	0	0	0	108.7	G44 E48	G44-N46 PolarHBondContact O-N 3.31Å; N46-E48 PolarHBondContact O-N 2.95Å
47	W	43.9	Very low	46.3	Very low	107 Å²	107	111.6 Å²	111.6	41%	0.405	58%	0.577	S	S	.	*			trans	-73.3	93.1	-170.1	-164.9	-81.9	0	0	0	111.6	Y6	Y6-W47 AromaticContact CD1-CH2 3.54Å; Y6-W47 HydrophobicContact CD1-CH2 3.54Å; Y6-W47 HydrophobicContact CD1-CZ3 4.11Å; Y6-W47 AromaticContact CD2-CH2 3.5Å; Y6-W47 HydrophobicContact CD2-CH2 3.5Å; Y6-W47 VanDerWaalsContact CD2-CH2 3.5Å; Y6-W47 AromaticContact CD2-CZ3 3.31Å; Y6-W47 HydrophobicContact CD2-CZ3 3.31Å; Y6-W47 AromaticContact CE1-CH2 3.45Å; Y6-W47 HydrophobicContact CE1-CH2 3.45Å; Y6-W47 VanDerWaalsContact CE1-CH2 3.45Å; Y6-W47 HydrophobicContact CE1-CZ2 4.28Å; Y6-W47 HydrophobicContact CE1-CZ3 4.3Å; Y6-W47 AromaticContact CE2-CH2 3.33Å; Y6-W47 HydrophobicContact CE2-CH2 3.33Å; Y6-W47 AromaticContact CE2-CZ3 3.47Å; Y6-W47 HydrophobicContact CE2-CZ3 3.47Å; Y6-W47 VanDerWaalsContact CE2-CZ3 3.47Å; Y6-W47 AromaticContact CG-CH2 3.53Å; Y6-W47 HydrophobicContact CG-CH2 3.53Å; Y6-W47 AromaticContact CG-CZ3 3.59Å; Y6-W47 HydrophobicContact CG-CZ3 3.59Å; Y6-W47 AromaticContact CZ-CH2 3.27Å; Y6-W47 AromaticContact CZ-CZ3 3.94Å
48	E	33.5	Very low	44.9	Very low	172 Å²	172	109.5 Å²	109.5	80%	0.804	58%	0.576	S	S	*	*			trans	-79.3	137	172.2	-72.4	-173.2	168.7	0	0	111.3	N46 Q50	N46-E48 PolarHBondContact O-N 2.95Å; E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.04Å
49	A	36	Very low	43.4	Very low	92 Å²	92	105.3 Å²	105.3	76%	0.76	57%	0.567	S	S	*	*			trans	-77.2	65.5	-160.4	0	0	0	0	0	114.9
50	Q	30.2	Very low	41.8	Very low	163 Å²	163	111.3 Å²	111.3	76%	0.762	58%	0.583	S	S	*	*			trans	-98.9	134.9	166.6	-67.6	-180	-13.2	0	0	109.7	E48	E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.04Å
51	N	33.9	Very low	40.3	Very low	114 Å²	114	121.1 Å²	121.1	61%	0.61	62%	0.619	S	S	*	*	S	Bend	trans	86.4	18.8	169.6	-62.5	-26.8	0	0	0	122
52	I	35.6	Very low	39.2	Very low	95 Å²	95	124.5 Å²	124.5	49%	0.487	63%	0.632	S	S	.	*	S	Bend	trans	-90.9	-22.9	165.3	-62	177.3	0	0	0	112.3	C56	I52-C56 PolarHBondContact O-N 3.3Å
53	E	31.1	Very low	37.8	Very low	160 Å²	160	130.9 Å²	130.9	75%	0.748	64%	0.638	S	S	*	*	H	α-helix	trans	-72.6	-36.2	-172.2	-155.3	154.6	-149.5	0	0	112.9	Q57	E53-Q57 WeakPolarHBondContact O-CG 3.41Å
54	E	29.2	Very low	35.9	Very low	151 Å²	151	136.7 Å²	136.7	71%	0.706	65%	0.652	S	S	*	*	H	α-helix	trans	-73.4	-38.3	176.6	-86.5	-171.8	148.4	0	0	113.4	C56 Q57 S58	E54-C56 VanDerWaalsContact C-N 3.29Å; E54-C56 PolarHBondContact O-N 3.34Å; E54-Q57 PolarHBondContact O-N 3.25Å; E54-S58 PolarHBondContact O-N 3.41Å
55	Y	32.1	Very low	35	Very low	156 Å²	156	138.8 Å²	138.8	61%	0.612	66%	0.655	S	S	*	*	H	α-helix	trans	-67.3	-30	-179.4	-167.5	-95.7	0	0	0	112.9	S58 S59	Y55-S58 PolarHBondContact O-OG 3.21Å; Y55-S59 PolarHBondContact O-N 3.14Å; Y55-S59 PolarHBondContact O-OG 3.09Å
56	C	31.5	Very low	34	Very low	84 Å²	84	142.9 Å²	142.9	57%	0.568	68%	0.676	S	S	*	*	H	α-helix	trans	-75.8	-27	177.4	-117.8	0	0	0	0	112.7	I52 E54	I52-C56 PolarHBondContact O-N 3.3Å; E54-C56 VanDerWaalsContact C-N 3.29Å; E54-C56 PolarHBondContact O-N 3.34Å
57	Q	31.2	Very low	33.1	Very low	130 Å²	130	148 Å²	148	61%	0.607	69%	0.686	S	S	*	*	H	α-helix	trans	-78.3	-37	176.5	-68.2	-176.6	16.5	0	0	111.9	E53 E54 R60	E53-Q57 WeakPolarHBondContact O-CG 3.41Å; E54-Q57 PolarHBondContact O-N 3.25Å; Q57-R60 PolarHBondContact O-N 3.44Å
58	S	33.4	Very low	32.3	Very low	66 Å²	66	147.3 Å²	147.3	46%	0.462	70%	0.697	S	S	.	*	H	α-helix	trans	-67	-40.4	176.5	63.3	0	0	0	0	112.5	E54 Y55 R60 R61	E54-S58 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-OG 3.21Å; S58-R60 PolarHBondContact O-N 2.9Å; S58-R61 PolarHBondContact O-N 3.37Å
59	S	37	Very low	32	Very low	47 Å²	47	147.9 Å²	147.9	33%	0.329	70%	0.7	S	S	.	*	H	α-helix	trans	-63.3	-24	177.9	-80.1	0	0	0	0	114.5	Y55	Y55-S59 PolarHBondContact O-N 3.14Å; Y55-S59 PolarHBondContact O-OG 3.09Å
60	R	36.6	Very low	31.6	Very low	216 Å²	216	148.8 Å²	148.8	82%	0.815	70%	0.7	S	S	*	*	H	α-helix	trans	-77.5	-28.6	179.2	-87	-179.2	175.6	163.5	-0.7	113.5	Q57 S58	Q57-R60 PolarHBondContact O-N 3.44Å; S58-R60 PolarHBondContact O-N 2.9Å
61	R	33.9	Very low	31.3	Very low	221 Å²	221	146 Å²	146	83%	0.834	71%	0.705	S	S	*	*	H	α-helix	trans	-74.9	-31.7	179.8	-80.4	-175.3	173.9	179.8	-0.7	112.5	S58	S58-R61 PolarHBondContact O-N 3.37Å
62	H	37.1	Very low	30.9	Very low	152 Å²	152	149.8 Å²	149.8	70%	0.704	72%	0.719	S	S	*	*	H	α-helix	trans	-84.6	-30.3	-175.8	-91	-135.9	0	0	0	115.1	R64 C65	H62-R64 PolarHBondContact O-N 3.06Å; H62-C65 PolarHBondContact O-N 2.95Å; H62-C65 VanDerWaalsContact O-N 3.16Å
63	R	35	Very low	30.4	Very low	219 Å²	219	155 Å²	155	83%	0.826	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-10.5	-178.2	-76	-168.1	-167	-155	2.3	115	C65	R63-C65 VanDerWaalsContact C-N 3.32Å
64	R	28	Very low	30.5	Very low	240 Å²	240	153.5 Å²	153.5	91%	0.906	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-13.3	176.1	-153.7	175	-165.7	-178.9	4	113.2	H62	H62-R64 PolarHBondContact O-N 3.06Å
65	C	33.2	Very low	30.4	Very low	107 Å²	107	151.6 Å²	151.6	72%	0.723	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-15.6	-168.8	-139.8	0	0	0	0	116.7	H62 R63	H62-C65 PolarHBondContact O-N 2.95Å; H62-C65 VanDerWaalsContact O-N 3.16Å; R63-C65 VanDerWaalsContact C-N 3.32Å
66	E	26.7	Very low	29.9	Very low	179 Å²	179	153 Å²	153	84%	0.836	76%	0.758	S	S	*	*	S	Bend	trans	-110.1	19.9	-170.8	-69.6	-175.1	159.8	0	0	115.3	S68	E66-S68 PolarHBondContact O-N 3.43Å
67	R	26.5	Very low	29.4	Very low	237 Å²	237	157.8 Å²	157.8	89%	0.894	77%	0.766	S	S	*	*	S	Bend	trans	-85.3	9.9	172.1	-160.5	165.5	-177.7	178.5	1.7	113.8
68	S	27.5	Very low	29.2	Very low	93 Å²	93	158 Å²	158	65%	0.65	78%	0.776	S	S	*	*			trans	-138.4	87.1	-175.8	-54.2	0	0	0	0	110	E66	E66-S68 PolarHBondContact O-N 3.43Å
69	Q	27.4	Very low	28.6	Very low	183 Å²	183	162.1 Å²	162.1	86%	0.855	79%	0.788	S	S	*	*	S	Bend	trans	171.8	140.6	131.1	-89.5	157.2	37.4	0	0	112.2
70	S	27.4	Very low	28	Very low	111 Å²	111	170.4 Å²	170.4	78%	0.776	81%	0.812	S	S	*	*			trans	65.6	85.2	158.1	47.5	0	0	0	0	118.4
71	A	23.8	Very low	27.5	Very low	104 Å²	104	165.8 Å²	165.8	86%	0.86	80%	0.803	S	S	*	*			trans	-69.4	121.5	138.5	0	0	0	0	0	109.3
72	E	24.1	Very low	27.2	Very low	194 Å²	194	163.6 Å²	163.6	91%	0.907	80%	0.8	S	S	*	*			trans	-144.9	149.5	157.6	-103.7	179.1	-170.8	0	0	110.9
73	K	26.1	Very low	26.5	Very low	204 Å²	204	160.8 Å²	160.8	89%	0.887	80%	0.803	S	S	*	*			trans	-88.5	170.9	-152.6	-77.7	174.6	177.3	173.7	0	114
74	P	33.1	Very low	26.1	Very low	129 Å²	129	159.8 Å²	159.8	84%	0.838	81%	0.805	S	S	*	*			trans	-96.2	145.8	-169.7	22.3	-6.2	0	0	0	114.5
75	S	26.1	Very low	26	Very low	111 Å²	111	152.1 Å²	152.1	78%	0.776	79%	0.793	S	S	*	*			trans	-131.7	110.4	158.8	64.9	0	0	0	0	108.2
76	E	22.1	Very low	25.6	Very low	185 Å²	185	154.6 Å²	154.6	86%	0.864	80%	0.798	S	S	*	*				58.9	108.9	95.3	-81.7	-170.8	164.5	0	0	116.2
77	Y	20.4	Very low	25.8	Very low	186 Å²	186	154.7 Å²	154.7	73%	0.729	80%	0.798	S	S	*	*			trans	65.8	109.6	133.7	-149.8	-95.4	0	0	0	119.2
78	T	27.6	Very low	25.7	Very low	135 Å²	135	150.4 Å²	150.4	83%	0.828	79%	0.793	S	S	*	*				-166	149.5	107.9	-10.4	0	0	0	0	112.6
79	Q	21.7	Very low	25.9	Very low	152 Å²	152	153.5 Å²	153.5	71%	0.71	80%	0.797	S	S	*	*			trans	-82.1	172.4	-177	-168.5	176.9	18.5	0	0	112.3
80	R	24	Very low	26.1	Very low	220 Å²	220	150.6 Å²	150.6	83%	0.83	80%	0.797	S	S	*	*			trans	79.7	132.2	170.6	-84.1	177.9	150.8	152.3	-5.8	114.5
81	D	26.3	Very low	26.3	Very low	119 Å²	119	153.9 Å²	153.9	64%	0.636	80%	0.8	S	S	*	*			cis	-170.6	161.4	39.6	-116	-26.8	0	0	0	112.1
82	K	27.7	Very low	26.6	Very low	176 Å²	176	152.9 Å²	152.9	77%	0.765	79%	0.791	S	S	*	*			trans	86.9	110.4	152.1	-69.7	162.7	-170.9	178.5	0	120.9
83	A	22.1	Very low	27.2	Very low	93 Å²	93	152.3 Å²	152.3	77%	0.769	79%	0.788	S	S	*	*			trans	-67.4	139.9	152.3	0	0	0	0	0	111.8
84	F	26.8	Very low	27.4	Very low	198 Å²	198	153.4 Å²	153.4	87%	0.868	79%	0.787	S	S	*	*			trans	-142.7	117.1	148.2	-97.1	-79.1	0	0	0	109.9
85	A	25.9	Very low	27.3	Very low	78 Å²	78	155.3 Å²	155.3	65%	0.645	79%	0.785	S	S	*	*			trans	3.3	134.5	150.1	0	0	0	0	0	121.4
86	L	25.3	Very low	27.5	Very low	160 Å²	160	157.9 Å²	157.9	84%	0.838	78%	0.784	S	S	*	*			trans	60.2	104.1	131.8	-66.9	164.9	0	0	0	119.1
87	H	29.1	Very low	28.1	Very low	181 Å²	181	160.9 Å²	160.9	84%	0.838	79%	0.788	S	S	*	*				-147.1	123.4	127.4	-127.2	-87.3	0	0	0	111.2	H89	H87-H89 PolarHBondContact O-N 3.4Å
88	D	26.3	Very low	28.7	Very low	147 Å²	147	157.3 Å²	157.3	79%	0.786	79%	0.785	S	S	*	*			trans	-78.9	99.1	178.6	-166.4	9.6	0	0	0	108.5
89	H	31.2	Very low	28.8	Very low	157 Å²	157	159.3 Å²	159.3	73%	0.727	78%	0.784	S	S	*	*			trans	-129.3	116.1	164.7	-92.8	13.7	0	0	0	108.5	H87 H91	H87-H89 PolarHBondContact O-N 3.4Å; H89-H91 VanDerWaalsContact C-N 3.3Å; H89-H91 PolarHBondContact O-N 2.96Å
90	S	30.6	Very low	29	Very low	123 Å²	123	159.1 Å²	159.1	86%	0.86	79%	0.794	S	S	*	*			trans	-50.1	86.1	178.3	55.5	0	0	0	0	111.3	A92	S90-A92 PolarHBondContact O-N 3.3Å
91	H	32.2	Very low	29.3	Very low	180 Å²	180	156.3 Å²	156.3	83%	0.833	79%	0.79	S	S	*	*			trans	-78	123.8	-175.3	-139.3	-77.7	0	0	0	109.8	H89 Q93	H89-H91 VanDerWaalsContact C-N 3.3Å; H89-H91 PolarHBondContact O-N 2.96Å; H91-Q93 PolarHBondContact O-N 3.16Å
92	A	30.9	Very low	29.7	Very low	82 Å²	82	160.4 Å²	160.4	68%	0.678	80%	0.802	S	S	*	*			trans	-43.2	132.7	176.2	0	0	0	0	0	112.5	S90 R94	S90-A92 PolarHBondContact O-N 3.3Å; A92-R94 PolarHBondContact O-N 3.1Å
93	Q	36.9	Very low	30	Very low	182 Å²	182	158.2 Å²	158.2	85%	0.85	80%	0.797	S	S	*	*			trans	9.6	76	160.5	-68.2	175.8	2.5	0	0	114.6	H91 H95	H91-Q93 PolarHBondContact O-N 3.16Å; Q93-H95 PolarHBondContact O-N 3.37Å
94	R	29.3	Very low	30.2	Very low	227 Å²	227	159.1 Å²	159.1	86%	0.857	80%	0.796	S	S	*	*			trans	-60.1	104.5	167.1	-171.8	173.8	176.6	176.6	-2.4	107	A92 E96	A92-R94 PolarHBondContact O-N 3.1Å; R94-E96 PolarHBondContact O-N 2.9Å
95	H	31.3	Very low	30.4	Very low	170 Å²	170	154.7 Å²	154.7	79%	0.787	79%	0.789	S	S	*	*			trans	-57.6	96	160.9	-94.3	-90.8	0	0	0	106.7	Q93 R97	Q93-H95 PolarHBondContact O-N 3.37Å; H95-R97 PolarHBondContact O-N 3.31Å
96	E	29.6	Very low	30.7	Very low	164 Å²	164	157.4 Å²	157.4	77%	0.766	79%	0.789	S	S	*	*			trans	-55.1	122.4	168.2	-77	177	162.8	0	0	107.5	R94 V98	R94-E96 PolarHBondContact O-N 2.9Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.22Å
97	R	34.3	Very low	30.8	Very low	249 Å²	249	154.9 Å²	154.9	94%	0.94	78%	0.78	S	S	*	*			trans	-62.2	96.8	177.5	-68.2	-175.7	-177.6	-161.2	2.1	107.6	H95 H99	H95-R97 PolarHBondContact O-N 3.31Å; R97-H99 PolarHBondContact O-N 3.32Å
98	V	34.6	Very low	30.8	Very low	110 Å²	110	153.6 Å²	153.6	67%	0.667	78%	0.777	S	S	*	*			trans	-63.7	126.3	171.6	-178.2	0	0	0	0	107.7	E96 T100	E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.22Å; V98-T100 PolarHBondContact O-N 3Å
99	H	29	Very low	30.6	Very low	178 Å²	178	154.3 Å²	154.3	82%	0.824	78%	0.776	S	S	*	*			trans	-32.5	116	-179.8	-74.6	-88.5	0	0	0	113.7	R97 E101	R97-H99 PolarHBondContact O-N 3.32Å; H99-E101 PolarHBondContact O-N 3.01Å; H99-E101 VanDerWaalsContact O-N 3.1Å
100	T	26.9	Very low	30.3	Very low	148 Å²	148	151.9 Å²	151.9	91%	0.908	78%	0.775	S	S	*	*			trans	-74.5	88	164.7	41.6	0	0	0	0	109	V98	V98-T100 PolarHBondContact O-N 3Å
101	E	30.2	Very low	30.3	Very low	160 Å²	160	152.6 Å²	152.6	75%	0.748	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-77.4	141.9	156.1	-73.5	-167.3	153.7	0	0	109.5	H99 I103	H99-E101 PolarHBondContact O-N 3.01Å; H99-E101 VanDerWaalsContact O-N 3.1Å; E101-I103 PolarHBondContact O-N 3.01Å
102	K	34.3	Very low	30	Very low	205 Å²	205	152.1 Å²	152.1	89%	0.891	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-47	117.2	-170.8	-68.8	173.5	177.5	176.8	0	111.7	P104	K102-P104 WeakPolarHBondContact O-CD 3.36Å
103	I	32.8	Very low	30	Very low	130 Å²	130	155.6 Å²	155.6	67%	0.667	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-55.4	126.9	167.2	-60.3	165.2	0	0	0	107.2	E101 S105	E101-I103 PolarHBondContact O-N 3.01Å; I103-S105 PolarHBondContact O-N 3.37Å
104	P	28	Very low	29.9	Very low	113 Å²	113	155.2 Å²	155.2	73%	0.734	78%	0.775	S	S	*	*			trans	-61.9	105.8	162.8	-20.4	33.1	0	0	0	107.6	K102 E106	K102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-E106 VanDerWaalsContact C-N 3.29Å; P104-E106 PolarHBondContact O-N 2.83Å
105	S	30.8	Very low	30.3	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	76%	0.764	S	S	*	*			trans	-62.2	90.4	173.3	-56.1	0	0	0	0	108.5	I103 V107	I103-S105 PolarHBondContact O-N 3.37Å; S105-V107 PolarHBondContact O-N 3.26Å
106	E	31.7	Very low	31	Very low	136 Å²	136	147 Å²	147	64%	0.636	76%	0.759	S	S	*	*			trans	-64.2	102.8	148.7	-87.3	-178.8	170	0	0	105.5	P104 I108	P104-E106 VanDerWaalsContact C-N 3.29Å; P104-E106 PolarHBondContact O-N 2.83Å; E106-I108 PolarHBondContact O-N 3.26Å
107	V	26.4	Very low	31.3	Very low	107 Å²	107	146.7 Å²	146.7	65%	0.648	75%	0.752	S	S	*	*			trans	-38.6	102.6	166.6	-176.3	0	0	0	0	107.9	S105 H109	S105-V107 PolarHBondContact O-N 3.26Å; V107-H109 WeakPolarHBondContact CG1-CD2 3.36Å; V107-H109 PolarHBondContact O-N 3.43Å
108	I	30.3	Very low	32.1	Very low	153 Å²	153	137.6 Å²	137.6	79%	0.785	72%	0.724	S	S	*	*			trans	-68.6	88.4	160.1	-61.4	175.7	0	0	0	103.9	E106 C110	E106-I108 PolarHBondContact O-N 3.26Å; I108-C110 VanDerWaalsContact C-N 3.26Å; I108-C110 PolarHBondContact O-N 3.21Å
109	H	22	Very low	33.5	Very low	163 Å²	163	136 Å²	136	76%	0.755	72%	0.718	S	S	*	*			trans	-60.1	99.7	156.3	-94.9	-98	0	0	0	106	V107	V107-H109 WeakPolarHBondContact CG1-CD2 3.36Å; V107-H109 PolarHBondContact O-N 3.43Å
110	C	25.3	Very low	35.1	Very low	105 Å²	105	130.2 Å²	130.2	71%	0.709	69%	0.692	S	S	*	*				-176	115.7	122.4	-88.1	0	0	0	0	108.4	I108	I108-C110 VanDerWaalsContact C-N 3.26Å; I108-C110 PolarHBondContact O-N 3.21Å
111	V	29.3	Very low	37	Very low	139 Å²	139	126.4 Å²	126.4	84%	0.842	67%	0.665	S	S	*	*			trans	-54.1	124	159.6	176.6	0	0	0	0	108.4
112	E	26.8	Very low	38.5	Very low	169 Å²	169	120.6 Å²	120.6	79%	0.79	64%	0.64	S	S	*	*	S	Bend	trans	161.7	129.6	144.2	-90.7	172.9	-172.1	0	0	107.5	F114	E112-F114 PolarHBondContact O-N 3.48Å; E112-F114 VanDerWaalsContact O-N 3.09Å
113	D	29.7	Very low	40.2	Very low	155 Å²	155	115.4 Å²	115.4	83%	0.829	62%	0.618	S	S	*	*			trans	-42.1	116.8	178.9	-64.2	-57.8	0	0	0	111.2	L115	D113-L115 PolarHBondContact O-N 3.14Å
114	F	36.2	Very low	41.9	Very low	175 Å²	175	114.9 Å²	114.9	77%	0.768	61%	0.611	S	S	*	*			trans	-62.9	89.9	173.8	-89.7	-92.7	0	0	0	108.6	E112	E112-F114 PolarHBondContact O-N 3.48Å; E112-F114 VanDerWaalsContact O-N 3.09Å
115	L	37.1	Very low	43.9	Very low	119 Å²	119	112.3 Å²	112.3	62%	0.623	59%	0.587	S	S	*	*			trans	-57.9	132.5	170.3	-67.6	171.6	0	0	0	107.6	D113 Y117 T118	D113-L115 PolarHBondContact O-N 3.14Å; L115-Y117 PolarHBondContact O-N 2.83Å; L115-T118 PolarHBondContact O-N 3.19Å; L115-T118 PolarHBondContact O-OG1 3.5Å; L115-T118 VanDerWaalsContact O-OG1 3.06Å
116	P	46.3	Very low	45.6	Very low	104 Å²	104	111.1 Å²	111.1	68%	0.675	58%	0.575	S	S	*	*	H	α-helix	trans	-51.8	-20.6	179.8	-8.2	3.7	0	0	0	113.9	T118 S119 L120	P116-T118 VanDerWaalsContact C-N 3.3Å; P116-T118 PolarHBondContact O-N 3.07Å; P116-S119 PolarHBondContact O-N 3.43Å; P116-L120 PolarHBondContact O-N 3.5Å; P116-L120 VanDerWaalsContact O-N 3.14Å
117	Y	34.8	Very low	47.2	Very low	158 Å²	158	109.5 Å²	109.5	62%	0.62	57%	0.568	S	S	*	*	H	α-helix	trans	-56.1	-38.5	176	-164.5	-118.3	0	0	0	113.5	L115 Q121	L115-Y117 PolarHBondContact O-N 2.83Å; Y117-Q121 HydrophobicContact CE1-CG 4.45Å; Y117-Q121 VanDerWaalsContact CZ-NE2 3.3Å; Y117-Q121 WeakPolarHBondContact O-CB 3.45Å; Y117-Q121 VanDerWaalsContact O-CG 3.27Å; Y117-Q121 WeakPolarHBondContact O-CG 3.48Å; Y117-Q121 PolarHBondContact O-N 2.77Å; Y117-Q121 PolarHBondContact OH-NE2 3.47Å
118	T	52.6	Low	49.5	Very low	58 Å²	58	108.6 Å²	108.6	36%	0.356	56%	0.563	S	S	.	*	H	α-helix	trans	-70	-38.2	179.4	58.8	0	0	0	0	112.2	L115 P116 Q121 V122	L115-T118 PolarHBondContact O-N 3.19Å; L115-T118 PolarHBondContact O-OG1 3.5Å; L115-T118 VanDerWaalsContact O-OG1 3.06Å; P116-T118 VanDerWaalsContact C-N 3.3Å; P116-T118 PolarHBondContact O-N 3.07Å; T118-Q121 PolarHBondContact O-N 3.26Å; T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 3.35Å
119	S	63.8	Low	51.6	Low	77 Å²	77	103.6 Å²	103.6	54%	0.538	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-42.4	176.4	-54.4	0	0	0	0	112	P116 V122 H123	P116-S119 PolarHBondContact O-N 3.43Å; S119-V122 PolarHBondContact O-N 3.31Å; S119-H123 WeakPolarHBondContact O-CB 3.36Å; S119-H123 PolarHBondContact O-N 3.38Å
120	L	62.5	Low	54.1	Low	56 Å²	56	101.3 Å²	101.3	29%	0.293	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.7	-175.9	64.7	0	0	0	111.7	P116 H123 K124	P116-L120 PolarHBondContact O-N 3.5Å; P116-L120 VanDerWaalsContact O-N 3.14Å; L120-H123 PolarHBondContact O-N 3.23Å; L120-K124 WeakPolarHBondContact O-CB 3.21Å; L120-K124 WeakPolarHBondContact O-CG 3.33Å; L120-K124 PolarHBondContact O-N 3.24Å
121	Q	65.2	Low	56.8	Low	69 Å²	69	102 Å²	102	32%	0.322	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-44	176.1	-78	-177.9	-8.2	0	0	112.5	Y117 T118 H123 K124 R125	Y117-Q121 HydrophobicContact CE1-CG 4.45Å; Y117-Q121 VanDerWaalsContact CZ-NE2 3.3Å; Y117-Q121 WeakPolarHBondContact O-CB 3.45Å; Y117-Q121 VanDerWaalsContact O-CG 3.27Å; Y117-Q121 WeakPolarHBondContact O-CG 3.48Å; Y117-Q121 PolarHBondContact O-N 2.77Å; Y117-Q121 PolarHBondContact OH-NE2 3.47Å; T118-Q121 PolarHBondContact O-N 3.26Å; Q121-H123 VanDerWaalsContact C-N 3.35Å; Q121-K124 PolarHBondContact O-N 3.36Å; Q121-R125 WeakPolarHBondContact O-CG 3.45Å; Q121-R125 PolarHBondContact O-N 3.15Å
122	V	63.5	Low	59.3	Low	38 Å²	38	98.8 Å²	98.8	23%	0.23	51%	0.511	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175	169.7	0	0	0	0	110.5	T118 S119 R125 T126 V143 M144	T118-V122 VanDerWaalsContact O-CG2 3.3Å; T118-V122 WeakPolarHBondContact O-CG2 3.28Å; T118-V122 PolarHBondContact O-N 3.35Å; S119-V122 PolarHBondContact O-N 3.31Å; V122-R125 PolarHBondContact O-N 3.46Å; V122-T126 PolarHBondContact O-N 2.76Å; V122-V143 HydrophobicContact CG1-CG1 4.35Å; V122-M144 HydrophobicContact CG1-CE 4.4Å; V122-M144 HydrophobicContact CG1-CG 3.7Å; V122-M144 HydrophobicContact CG1-SD 3.59Å; V122-M144 VanDerWaalsContact CG1-SD 3.59Å; V122-M144 HydrophobicContact CG2-CG 4.08Å; V122-M144 HydrophobicContact CG2-SD 4.36Å
123	H	69.9	Low	62.1	Low	95 Å²	95	94.5 Å²	94.5	44%	0.44	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-47	176.3	-178.6	73.8	0	0	0	112.2	S119 L120 Q121 R125 T126 Q127	S119-H123 WeakPolarHBondContact O-CB 3.36Å; S119-H123 PolarHBondContact O-N 3.38Å; L120-H123 PolarHBondContact O-N 3.23Å; Q121-H123 VanDerWaalsContact C-N 3.35Å; H123-R125 VanDerWaalsContact C-N 3.3Å; H123-R125 PolarHBondContact O-N 3.33Å; H123-T126 WeakPolarHBondContact CA-OG1 3.5Å; H123-T126 PolarHBondContact O-N 3.4Å; H123-T126 PolarHBondContact O-OG1 3.25Å; H123-Q127 PolarHBondContact NE2-NE2 3.18Å; H123-Q127 VanDerWaalsContact NE2-NE2 3.12Å; H123-Q127 PolarHBondContact O-N 3Å
124	K	67.7	Low	64.7	Low	119 Å²	119	92.9 Å²	92.9	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-55.4	-44.6	174.1	-75.4	-174.5	178	-170.7	0	111.4	L120 Q121 T126 Q127 T128	L120-K124 WeakPolarHBondContact O-CB 3.21Å; L120-K124 WeakPolarHBondContact O-CG 3.33Å; L120-K124 PolarHBondContact O-N 3.24Å; Q121-K124 PolarHBondContact O-N 3.36Å; K124-T126 VanDerWaalsContact C-N 3.32Å; K124-T126 PolarHBondContact O-N 2.97Å; K124-Q127 PolarHBondContact O-N 3.49Å; K124-T128 WeakPolarHBondContact O-CG2 3.26Å; K124-T128 PolarHBondContact O-N 2.82Å; K124-T128 PolarHBondContact O-OG1 3.06Å
125	R	70.6	Confident	67.1	Low	60 Å²	60	84.7 Å²	84.7	23%	0.226	44%	0.44	C	S	.	.	H	α-helix	trans	-64	-33.5	176.1	-68.7	171.9	-176.4	173.1	2.9	113.3	Q121 V122 H123 G129 Q130 V143	Q121-R125 WeakPolarHBondContact O-CG 3.45Å; Q121-R125 PolarHBondContact O-N 3.15Å; V122-R125 PolarHBondContact O-N 3.46Å; H123-R125 VanDerWaalsContact C-N 3.3Å; H123-R125 PolarHBondContact O-N 3.33Å; R125-G129 PolarHBondContact O-N 3.39Å; R125-G129 VanDerWaalsContact O-N 3.09Å; R125-Q130 HydrophobicContact CB-CB 4.28Å; R125-Q130 HydrophobicContact CG-CB 4.19Å; R125-Q130 PolarHBondContact O-N 3.43Å; R125-Q130 VanDerWaalsContact O-N 3.15Å; R125-V143 HydrophobicContact CB-CG1 3.55Å
126	T	65.7	Low	69.3	Low	78 Å²	78	86.9 Å²	86.9	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-34.6	174.4	55.7	0	0	0	0	112.8	V122 H123 K124 V143	V122-T126 PolarHBondContact O-N 2.76Å; H123-T126 WeakPolarHBondContact CA-OG1 3.5Å; H123-T126 PolarHBondContact O-N 3.4Å; H123-T126 PolarHBondContact O-OG1 3.25Å; K124-T126 VanDerWaalsContact C-N 3.32Å; K124-T126 PolarHBondContact O-N 2.97Å; T126-V143 HydrophobicContact CG2-CB 4.49Å; T126-V143 HydrophobicContact CG2-CG1 3.91Å; T126-V143 HydrophobicContact CG2-CG2 4.36Å
127	Q	65.9	Low	71	Confident	102 Å²	102	88.4 Å²	88.4	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-77.2	-42.2	176.7	-69.8	-171.6	-23.8	0	0	112.5	H123 K124 G129	H123-Q127 PolarHBondContact NE2-NE2 3.18Å; H123-Q127 VanDerWaalsContact NE2-NE2 3.12Å; H123-Q127 PolarHBondContact O-N 3Å; K124-Q127 PolarHBondContact O-N 3.49Å; Q127-G129 VanDerWaalsContact C-N 3.26Å; Q127-G129 PolarHBondContact O-N 3.22Å
128	T	75.3	Confident	73.4	Confident	89 Å²	89	83.5 Å²	83.5	55%	0.546	44%	0.439	S	S	.	.	H	α-helix	trans	-79.3	-6	-179.9	60.2	0	0	0	0	113.9	K124 Q130	K124-T128 WeakPolarHBondContact O-CG2 3.26Å; K124-T128 PolarHBondContact O-N 2.82Å; K124-T128 PolarHBondContact O-OG1 3.06Å; T128-Q130 PolarHBondContact O-N 3.37Å; T128-Q130 WeakPolarHBondContact OG1-CG 3.37Å
129	G	73.8	Confident	74.9	Confident	47 Å²	47	83.1 Å²	83.1	49%	0.485	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	6.8	-177.4	0	0	0	0	0	114.8	R125 Q127 K131	R125-G129 PolarHBondContact O-N 3.39Å; R125-G129 VanDerWaalsContact O-N 3.09Å; Q127-G129 VanDerWaalsContact C-N 3.26Å; Q127-G129 PolarHBondContact O-N 3.22Å; G129-K131 PolarHBondContact O-N 3.27Å
130	Q	74.1	Confident	75.8	Confident	115 Å²	115	85.4 Å²	85.4	54%	0.537	45%	0.447	S	S	.	.			trans	-65.5	128.4	179.9	-74	-178.9	-7.6	0	0	111.9	R125 T128	R125-Q130 HydrophobicContact CB-CB 4.28Å; R125-Q130 HydrophobicContact CG-CB 4.19Å; R125-Q130 PolarHBondContact O-N 3.43Å; R125-Q130 VanDerWaalsContact O-N 3.15Å; T128-Q130 PolarHBondContact O-N 3.37Å; T128-Q130 WeakPolarHBondContact OG1-CG 3.37Å
131	K	83	Confident	76.6	Confident	119 Å²	119	83.7 Å²	83.7	52%	0.517	44%	0.442	S	S	.	.			trans	-130.7	74.4	-174.7	-74.3	166.8	177.3	-178.2	0	111.7	G129 Y133 G141 F142 V143	G129-K131 PolarHBondContact O-N 3.27Å; K131-Y133 PolarHBondContact O-N 2.83Å; K131-Y133 VanDerWaalsContact O-N 3.17Å; K131-G141 WeakPolarHBondContact CD-O 3.31Å; K131-F142 CarbonylContact C-O 3.59Å; K131-F142 VanDerWaalsContact C-O 3.29Å; K131-F142 WeakPolarHBondContact CA-O 3.34Å; K131-V143 HydrophobicContact CG-CG2 4.07Å
132	P	81.8	Confident	77.4	Confident	72 Å²	72	82.3 Å²	82.3	47%	0.468	44%	0.435	S	S	.	.			trans	-66.5	-19.1	-172	-20.3	33.2	0	0	0	114.8
133	Y	84.4	Confident	78.2	Confident	79 Å²	79	81.6 Å²	81.6	31%	0.31	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	98.4	-171.5	-55.1	-76.5	0	0	0	110.2	K131 G141 F142 V143 P145	K131-Y133 PolarHBondContact O-N 2.83Å; K131-Y133 VanDerWaalsContact O-N 3.17Å; Y133-G141 CarbonylContact O-C 3.29Å; Y133-G141 WeakPolarHBondContact O-CA 3.46Å; Y133-F142 WeakPolarHBondContact CD2-O 3.27Å; Y133-F142 PolarHBondContact N-O 3.37Å; Y133-F142 VanDerWaalsContact N-O 3.12Å; Y133-F142 WeakPolarHBondContact O-CD2 3.41Å; Y133-F142 PolarHBondContact O-N 2.9Å; Y133-V143 WeakPolarHBondContact CE2-O 3.36Å; Y133-P145 HydrophobicContact CD1-CG 4.05Å; Y133-P145 HydrophobicContact CD2-CG 4.27Å; Y133-P145 HydrophobicContact CE1-CG 3.65Å; Y133-P145 HydrophobicContact CE2-CG 3.88Å; Y133-P145 HydrophobicContact CG-CG 4.34Å
134	E	83.8	Confident	78.7	Confident	122 Å²	122	80.2 Å²	80.2	57%	0.57	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.4	-178.2	-64.5	-173.2	168.5	0	0	112.6	N136 K140	E134-N136 PolarHBondContact O-N 3.23Å; E134-K140 CarbonylContact C-O 3.59Å; E134-K140 WeakPolarHBondContact CA-O 3.36Å
135	C	86.6	Confident	79.3	Confident	3 Å²	3	78 Å²	78	2%	0.02	42%	0.423	C	S	.	.			trans	-80	116.8	173.8	179.8	0	0	0	0	110.5	Q137 C138 G139 K140 F142 L148	C135-Q137 PolarHBondContact O-N 2.76Å; C135-Q137 VanDerWaalsContact O-N 3.08Å; C135-C138 PolarHBondContact O-N 3.4Å; C135-G139 VanDerWaalsContact O-CA 3.32Å; C135-G139 WeakPolarHBondContact O-CA 3.37Å; C135-G139 PolarHBondContact O-N 2.82Å; C135-K140 PolarHBondContact N-O 3.18Å; C135-F142 HydrophobicContact CB-CE2 4.29Å; C135-L148 HydrophobicContact CB-CD1 3.6Å
136	N	85.3	Confident	79.9	Confident	164 Å²	164	78.8 Å²	78.8	88%	0.877	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.1	179.8	-64	-24.4	0	0	0	114.3	E134	E134-N136 PolarHBondContact O-N 3.23Å
137	Q	81.4	Confident	80.8	Confident	137 Å²	137	76.2 Å²	76.2	64%	0.64	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-21.7	-178.3	-63.5	-169.8	8.5	0	0	114.3	C135 H155	C135-Q137 PolarHBondContact O-N 2.76Å; C135-Q137 VanDerWaalsContact O-N 3.08Å; Q137-H155 PolarHBondContact OE1-ND1 3.38Å
138	C	85.2	Confident	81.6	Confident	54 Å²	54	72.5 Å²	72.5	37%	0.365	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	1.9	-178.3	72.8	0	0	0	0	115.6	C135 K140 H151	C135-C138 PolarHBondContact O-N 3.4Å; C138-K140 PolarHBondContact O-N 3.15Å; C138-H151 PolarHBondContact SG-NE2 3.05Å
139	G	83.9	Confident	82.1	Confident	51 Å²	51	73.8 Å²	73.8	53%	0.526	41%	0.405	S	S	.	.			trans	69.7	8	179.6	0	0	0	0	0	115.1	C135 G141	C135-G139 VanDerWaalsContact O-CA 3.32Å; C135-G139 WeakPolarHBondContact O-CA 3.37Å; C135-G139 PolarHBondContact O-N 2.82Å; G139-G141 PolarHBondContact O-N 3.19Å
140	K	83	Confident	82.7	Confident	125 Å²	125	77.2 Å²	77.2	54%	0.543	40%	0.403	S	S	.	.			trans	-75.1	122.7	-179	-73.7	-179.2	-176.5	174.2	0	111.2	E134 C135 C138 F142	E134-K140 CarbonylContact C-O 3.59Å; E134-K140 WeakPolarHBondContact CA-O 3.36Å; C135-K140 PolarHBondContact N-O 3.18Å; C138-K140 PolarHBondContact O-N 3.15Å; K140-F142 HydrophobicContact CB-CE2 3.87Å; K140-F142 HydrophobicContact CB-CZ 4.04Å; K140-F142 VanDerWaalsContact O-CD2 3.25Å; K140-F142 WeakPolarHBondContact O-CD2 3.47Å; K140-F142 WeakPolarHBondContact O-CE2 3.36Å
141	G	78.9	Confident	83.1	Confident	19 Å²	19	73.2 Å²	73.2	20%	0.196	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	144.3	172.6	0	0	0	0	0	114.5	K131 Y133 G139	K131-G141 WeakPolarHBondContact CD-O 3.31Å; Y133-G141 CarbonylContact O-C 3.29Å; Y133-G141 WeakPolarHBondContact O-CA 3.46Å; G139-G141 PolarHBondContact O-N 3.19Å
142	F	81.3	Confident	83.3	Confident	40 Å²	40	70.5 Å²	70.5	18%	0.175	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.8	177.5	-61.3	-86.9	0	0	0	111.3	K131 Y133 C135 K140 C147 L148 H151	K131-F142 CarbonylContact C-O 3.59Å; K131-F142 VanDerWaalsContact C-O 3.29Å; K131-F142 WeakPolarHBondContact CA-O 3.34Å; Y133-F142 WeakPolarHBondContact CD2-O 3.27Å; Y133-F142 PolarHBondContact N-O 3.37Å; Y133-F142 VanDerWaalsContact N-O 3.12Å; Y133-F142 WeakPolarHBondContact O-CD2 3.41Å; Y133-F142 PolarHBondContact O-N 2.9Å; C135-F142 HydrophobicContact CB-CE2 4.29Å; K140-F142 HydrophobicContact CB-CE2 3.87Å; K140-F142 HydrophobicContact CB-CZ 4.04Å; K140-F142 VanDerWaalsContact O-CD2 3.25Å; K140-F142 WeakPolarHBondContact O-CD2 3.47Å; K140-F142 WeakPolarHBondContact O-CE2 3.36Å; F142-C147 HydrophobicContact CB-CB 4.14Å; F142-C147 HydrophobicContact CD1-CB 3.94Å; F142-C147 HydrophobicContact CG-CB 4.35Å; F142-L148 HydrophobicContact CB-CB 4.1Å; F142-L148 HydrophobicContact CD2-CB 3.77Å; F142-L148 HydrophobicContact CD2-CD1 3.61Å; F142-L148 HydrophobicContact CD2-CG 4.27Å; F142-L148 HydrophobicContact CE2-CD1 3.77Å; F142-L148 HydrophobicContact CG-CB 4.05Å; F142-H151 HydrophobicContact CE1-CB 3.74Å; F142-H151 HydrophobicContact CE2-CB 3.89Å; F142-H151 AromaticContact CE2-CD2 3.34Å; F142-H151 WeakPolarHBondContact CE2-CD2 3.46Å; F142-H151 AromaticContact CE2-CG 3.64Å; F142-H151 HydrophobicContact CZ-CB 3.33Å; F142-H151 AromaticContact CZ-CD2 3.34Å; F142-H151 WeakPolarHBondContact CZ-CD2 3.32Å; F142-H151 AromaticContact CZ-CG 3.14Å; F142-H151 AromaticContact CZ-ND1 3.7Å; F142-H151 AromaticContact CZ-NE2 3.95Å
143	V	81.3	Confident	83.6	Confident	23 Å²	23	69.1 Å²	69.1	14%	0.139	36%	0.359	C	S	.	.	S	Bend	trans	-76.9	-32.5	-179.1	-180	0	0	0	0	112.2	V122 R125 T126 K131 Y133	V122-V143 HydrophobicContact CG1-CG1 4.35Å; R125-V143 HydrophobicContact CB-CG1 3.55Å; T126-V143 HydrophobicContact CG2-CB 4.49Å; T126-V143 HydrophobicContact CG2-CG1 3.91Å; T126-V143 HydrophobicContact CG2-CG2 4.36Å; K131-V143 HydrophobicContact CG-CG2 4.07Å; Y133-V143 WeakPolarHBondContact CE2-O 3.36Å
144	M	80.4	Confident	83.5	Confident	66 Å²	66	73.2 Å²	73.2	33%	0.325	38%	0.379	S	S	.	.	S	Bend	trans	-126.3	145.6	-177.9	-69.4	-175.3	-74	0	0	110.8	V122 S146 C147 L148	V122-M144 HydrophobicContact CG1-CE 4.4Å; V122-M144 HydrophobicContact CG1-CG 3.7Å; V122-M144 HydrophobicContact CG1-SD 3.59Å; V122-M144 VanDerWaalsContact CG1-SD 3.59Å; V122-M144 HydrophobicContact CG2-CG 4.08Å; V122-M144 HydrophobicContact CG2-SD 4.36Å; M144-S146 VanDerWaalsContact C-N 3.28Å; M144-S146 PolarHBondContact O-N 3.01Å; M144-C147 HydrophobicContact CB-CB 4.45Å; M144-C147 WeakPolarHBondContact O-CB 3.41Å; M144-C147 PolarHBondContact O-N 2.93Å; M144-C147 VanDerWaalsContact O-N 3.1Å; M144-L148 PolarHBondContact O-N 3.38Å
145	P	80	Confident	83.6	Confident	72 Å²	72	70.4 Å²	70.4	47%	0.468	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-38.7	174.6	-21.8	31.4	0	0	0	112.9	Y133 C147 L148 K149	Y133-P145 HydrophobicContact CD1-CG 4.05Å; Y133-P145 HydrophobicContact CD2-CG 4.27Å; Y133-P145 HydrophobicContact CE1-CG 3.65Å; Y133-P145 HydrophobicContact CE2-CG 3.88Å; Y133-P145 HydrophobicContact CG-CG 4.34Å; P145-C147 VanDerWaalsContact C-N 3.25Å; P145-C147 PolarHBondContact O-N 3.07Å; P145-L148 PolarHBondContact O-N 3.41Å; P145-L148 VanDerWaalsContact O-N 3.15Å; P145-K149 WeakPolarHBondContact O-CB 3.48Å; P145-K149 PolarHBondContact O-N 3.48Å
146	S	82.3	Confident	83.6	Confident	77 Å²	77	74 Å²	74	54%	0.538	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-33.5	177.8	59.4	0	0	0	0	112.7	M144 R150	M144-S146 VanDerWaalsContact C-N 3.28Å; M144-S146 PolarHBondContact O-N 3.01Å; S146-R150 VanDerWaalsContact O-CB 3.29Å; S146-R150 WeakPolarHBondContact O-CB 3.36Å; S146-R150 PolarHBondContact O-N 2.79Å
147	C	85.9	Confident	83.6	Confident	25 Å²	25	68.4 Å²	68.4	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-70.3	-41.8	174.5	-73.6	0	0	0	0	112.1	F142 M144 P145 H151	F142-C147 HydrophobicContact CB-CB 4.14Å; F142-C147 HydrophobicContact CD1-CB 3.94Å; F142-C147 HydrophobicContact CG-CB 4.35Å; M144-C147 HydrophobicContact CB-CB 4.45Å; M144-C147 WeakPolarHBondContact O-CB 3.41Å; M144-C147 PolarHBondContact O-N 2.93Å; M144-C147 VanDerWaalsContact O-N 3.1Å; P145-C147 VanDerWaalsContact C-N 3.25Å; P145-C147 PolarHBondContact O-N 3.07Å; C147-H151 WeakPolarHBondContact O-CB 3.09Å; C147-H151 PolarHBondContact O-N 3.02Å
148	L	82.4	Confident	83.9	Confident	23 Å²	23	66.6 Å²	66.6	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-50.3	172.9	171.9	60.4	0	0	0	110.5	C135 F142 M144 P145 R150 H151 E152	C135-L148 HydrophobicContact CB-CD1 3.6Å; F142-L148 HydrophobicContact CB-CB 4.1Å; F142-L148 HydrophobicContact CD2-CB 3.77Å; F142-L148 HydrophobicContact CD2-CD1 3.61Å; F142-L148 HydrophobicContact CD2-CG 4.27Å; F142-L148 HydrophobicContact CE2-CD1 3.77Å; F142-L148 HydrophobicContact CG-CB 4.05Å; M144-L148 PolarHBondContact O-N 3.38Å; P145-L148 PolarHBondContact O-N 3.41Å; P145-L148 VanDerWaalsContact O-N 3.15Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 2.97Å; L148-H151 CarbonylContact O-C 3.59Å; L148-H151 WeakPolarHBondContact O-CA 3.32Å; L148-H151 VanDerWaalsContact O-CB 3.29Å; L148-H151 WeakPolarHBondContact O-CB 3.46Å; L148-H151 PolarHBondContact O-N 3.16Å; L148-E152 HydrophobicContact CD1-CG 4.21Å; L148-E152 HydrophobicContact CG-CG 4.48Å; L148-E152 WeakPolarHBondContact O-CG 3.34Å; L148-E152 PolarHBondContact O-N 3.37Å
149	K	86.1	Confident	84.1	Confident	117 Å²	117	69.9 Å²	69.9	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-58.6	-40.6	179.6	-172.6	57.6	174.4	179.7	0	112.5	P145 H151 E152	P145-K149 WeakPolarHBondContact O-CB 3.48Å; P145-K149 PolarHBondContact O-N 3.48Å; K149-H151 VanDerWaalsContact C-N 3.32Å; K149-E152 VanDerWaalsContact CD-OE2 3.29Å; K149-E152 WeakPolarHBondContact CD-OE2 3.43Å; K149-E152 IonicContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact O-N 3.22Å
150	R	85	Confident	84.4	Confident	118 Å²	118	70.1 Å²	70.1	45%	0.445	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-36	172.5	-179	178.2	63.2	-170.3	-5.3	112.2	S146 L148 R153 Q172	S146-R150 VanDerWaalsContact O-CB 3.29Å; S146-R150 WeakPolarHBondContact O-CB 3.36Å; S146-R150 PolarHBondContact O-N 2.79Å; L148-R150 VanDerWaalsContact C-N 3.29Å; L148-R150 PolarHBondContact O-N 2.97Å; R150-R153 WeakPolarHBondContact O-CB 3.37Å; R150-Q172 HydrophobicContact CG-CG 4.23Å
151	H	83.5	Confident	84.8	Confident	31 Å²	31	67 Å²	67	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-39.5	176.4	165.3	70.3	0	0	0	112.5	C138 F142 C147 L148 K149 R153 F154 H155	C138-H151 PolarHBondContact SG-NE2 3.05Å; F142-H151 HydrophobicContact CE1-CB 3.74Å; F142-H151 HydrophobicContact CE2-CB 3.89Å; F142-H151 AromaticContact CE2-CD2 3.34Å; F142-H151 WeakPolarHBondContact CE2-CD2 3.46Å; F142-H151 AromaticContact CE2-CG 3.64Å; F142-H151 HydrophobicContact CZ-CB 3.33Å; F142-H151 AromaticContact CZ-CD2 3.34Å; F142-H151 WeakPolarHBondContact CZ-CD2 3.32Å; F142-H151 AromaticContact CZ-CG 3.14Å; F142-H151 AromaticContact CZ-ND1 3.7Å; F142-H151 AromaticContact CZ-NE2 3.95Å; C147-H151 WeakPolarHBondContact O-CB 3.09Å; C147-H151 PolarHBondContact O-N 3.02Å; L148-H151 CarbonylContact O-C 3.59Å; L148-H151 WeakPolarHBondContact O-CA 3.32Å; L148-H151 VanDerWaalsContact O-CB 3.29Å; L148-H151 WeakPolarHBondContact O-CB 3.46Å; L148-H151 PolarHBondContact O-N 3.16Å; K149-H151 VanDerWaalsContact C-N 3.32Å; H151-R153 PolarHBondContact O-N 3.45Å; H151-R153 VanDerWaalsContact O-N 3.12Å; H151-F154 WeakPolarHBondContact O-CB 3.46Å; H151-F154 PolarHBondContact O-N 3.45Å; H151-H155 AromaticContact CE1-NE2 3.79Å; H151-H155 AromaticContact NE2-CD2 3.88Å; H151-H155 AromaticContact NE2-NE2 3.48Å; H151-H155 PolarHBondContact NE2-NE2 2.77Å
152	E	87.8	Confident	85.2	Confident	62 Å²	62	74 Å²	74	29%	0.29	37%	0.37	S	S	.	.	H	α-helix	trans	-55.9	-30	177	-71	177.5	160.2	0	0	112.8	L148 K149 F154 H155 T156	L148-E152 HydrophobicContact CD1-CG 4.21Å; L148-E152 HydrophobicContact CG-CG 4.48Å; L148-E152 WeakPolarHBondContact O-CG 3.34Å; L148-E152 PolarHBondContact O-N 3.37Å; K149-E152 VanDerWaalsContact CD-OE2 3.29Å; K149-E152 WeakPolarHBondContact CD-OE2 3.43Å; K149-E152 IonicContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact O-N 3.22Å; E152-F154 PolarHBondContact O-N 3.16Å; E152-F154 VanDerWaalsContact O-N 3.1Å; E152-H155 WeakPolarHBondContact O-CB 3.49Å; E152-H155 PolarHBondContact O-N 3.01Å; E152-T156 PolarHBondContact O-N 3.07Å; E152-T156 PolarHBondContact O-OG1 3.11Å
153	R	88.1	Confident	85.7	Confident	44 Å²	44	72.6 Å²	72.6	17%	0.166	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-24.5	172.9	-60.9	-179.7	-177.5	176.2	-2.3	113.6	R150 H151 H155 T156 G157 E158 S171	R150-R153 WeakPolarHBondContact O-CB 3.37Å; H151-R153 PolarHBondContact O-N 3.45Å; H151-R153 VanDerWaalsContact O-N 3.12Å; R153-H155 VanDerWaalsContact C-N 3.34Å; R153-T156 WeakPolarHBondContact CA-OG1 3.38Å; R153-G157 WeakPolarHBondContact O-CA 3.35Å; R153-G157 PolarHBondContact O-N 2.98Å; R153-E158 HydrophobicContact CB-CB 4.41Å; R153-E158 HydrophobicContact CG-CB 4.33Å; R153-E158 PolarHBondContact O-N 3.26Å; R153-S171 PolarHBondContact NH1-O 3.34Å
154	F	82	Confident	86.1	Confident	165 Å²	165	77.7 Å²	77.7	72%	0.724	39%	0.392	S	S	*	.	H	α-helix	trans	-66.8	-37.9	173.2	176.7	-98.6	0	0	0	111.8	H151 E152	H151-F154 WeakPolarHBondContact O-CB 3.46Å; H151-F154 PolarHBondContact O-N 3.45Å; E152-F154 PolarHBondContact O-N 3.16Å; E152-F154 VanDerWaalsContact O-N 3.1Å
155	H	85	Confident	86.4	Confident	63 Å²	63	79.8 Å²	79.8	29%	0.292	40%	0.401	S	S	.	.	H	α-helix	trans	-79.7	-43.9	-179.8	-70	-71.4	0	0	0	112.5	Q137 H151 E152 R153 G157	Q137-H155 PolarHBondContact OE1-ND1 3.38Å; H151-H155 AromaticContact CE1-NE2 3.79Å; H151-H155 AromaticContact NE2-CD2 3.88Å; H151-H155 AromaticContact NE2-NE2 3.48Å; H151-H155 PolarHBondContact NE2-NE2 2.77Å; E152-H155 WeakPolarHBondContact O-CB 3.49Å; E152-H155 PolarHBondContact O-N 3.01Å; R153-H155 VanDerWaalsContact C-N 3.34Å; H155-G157 PolarHBondContact O-N 2.82Å
156	T	87.3	Confident	86.9	Confident	78 Å²	78	78 Å²	78	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-74.9	-17.8	179.5	61.4	0	0	0	0	112.6	E152 R153 E158	E152-T156 PolarHBondContact O-N 3.07Å; E152-T156 PolarHBondContact O-OG1 3.11Å; R153-T156 WeakPolarHBondContact CA-OG1 3.38Å; T156-E158 PolarHBondContact O-N 3.49Å; T156-E158 WeakPolarHBondContact OG1-CB 3.46Å; T156-E158 WeakPolarHBondContact OG1-CG 3.46Å; T156-E158 PolarHBondContact OG1-N 2.86Å
157	G	84.8	Confident	87.2	Confident	46 Å²	46	82.8 Å²	82.8	47%	0.474	41%	0.409	S	S	.	.			trans	73.1	6.9	-173.8	0	0	0	0	0	113.7	R153 H155 K159	R153-G157 WeakPolarHBondContact O-CA 3.35Å; R153-G157 PolarHBondContact O-N 2.98Å; H155-G157 PolarHBondContact O-N 2.82Å; G157-K159 PolarHBondContact O-N 2.79Å
158	E	88.2	Confident	87.5	Confident	100 Å²	100	87.4 Å²	87.4	47%	0.467	43%	0.427	S	S	.	.			trans	-59.6	129.3	-179.3	-79.4	177.6	-171.3	0	0	112.1	R153 T156	R153-E158 HydrophobicContact CB-CB 4.41Å; R153-E158 HydrophobicContact CG-CB 4.33Å; R153-E158 PolarHBondContact O-N 3.26Å; T156-E158 PolarHBondContact O-N 3.49Å; T156-E158 WeakPolarHBondContact OG1-CB 3.46Å; T156-E158 WeakPolarHBondContact OG1-CG 3.46Å; T156-E158 PolarHBondContact OG1-N 2.86Å
159	K	90	Very high	87.8	Confident	122 Å²	122	87.6 Å²	87.6	53%	0.53	43%	0.432	S	S	.	.			trans	-131.3	77.3	-178.9	-72.7	164.4	173.3	-172.9	0	110.2	G157 Y161 A169 F170	G157-K159 PolarHBondContact O-N 2.79Å; K159-Y161 PolarHBondContact O-N 3.15Å; K159-A169 HydrophobicContact CB-CB 3.56Å; K159-A169 HydrophobicContact CD-CB 4.34Å; K159-A169 WeakPolarHBondContact CD-O 3.32Å; K159-F170 CarbonylContact C-O 3.53Å; K159-F170 WeakPolarHBondContact CA-O 3.18Å
160	P	88.7	Confident	88	Confident	56 Å²	56	84.1 Å²	84.1	36%	0.364	42%	0.416	S	S	.	.			trans	-63.3	-30.2	-174.3	-23.4	35.1	0	0	0	113.4	K162	P160-K162 PolarHBondContact O-N 3.01Å
161	Y	90.9	Very high	88.1	Confident	61 Å²	61	80.3 Å²	80.3	24%	0.239	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	92	-172.2	-52	-73.3	0	0	0	110.8	K159 A169 F170 Y173	K159-Y161 PolarHBondContact O-N 3.15Å; Y161-A169 CarbonylContact O-C 3.57Å; Y161-A169 WeakPolarHBondContact O-CA 3.38Å; Y161-F170 WeakPolarHBondContact CD2-O 3.45Å; Y161-F170 PolarHBondContact N-O 2.91Å; Y161-F170 VanDerWaalsContact N-O 3.09Å; Y161-F170 PolarHBondContact O-N 3.48Å; Y161-Y173 AromaticContact CD1-CD2 3.97Å; Y161-Y173 HydrophobicContact CD1-CD2 3.97Å; Y161-Y173 VanDerWaalsContact CD2-N 3.34Å; Y161-Y173 HydrophobicContact CE1-CD2 4.32Å
162	K	89.2	Confident	88.3	Confident	164 Å²	164	81.6 Å²	81.6	71%	0.713	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	141.1	177.4	-61.5	-178.8	-179.8	178.5	0	111.2	P160 A169	P160-K162 PolarHBondContact O-N 3.01Å; K162-A169 HydrophobicContact CG-CB 3.89Å
163	C	90.4	Very high	88.3	Confident	12 Å²	12	83.9 Å²	83.9	8%	0.081	42%	0.421	C	S	.	.			trans	-75.3	138	167.2	-171.2	0	0	0	0	109	C166 K168 L176 H183	C163-C166 WeakPolarHBondContact CB-O 3.39Å; C163-K168 VanDerWaalsContact CB-O 3.3Å; C163-K168 WeakPolarHBondContact CB-O 3.45Å; C163-K168 PolarHBondContact N-O 3.36Å; C163-L176 HydrophobicContact CB-CD1 3.82Å; C163-H183 PolarHBondContact SG-NE2 3.19Å
164	N	89.1	Confident	88.1	Confident	130 Å²	130	85.9 Å²	85.9	70%	0.695	44%	0.435	S	S	*	.	S	Bend	trans	-84.3	-13.5	177.3	61.8	-21.2	0	0	0	113.1
165	Q	86.7	Confident	88.4	Confident	109 Å²	109	81 Å²	81	51%	0.509	42%	0.416	S	S	.	.	S	Bend	trans	-106.2	-5.9	-178.1	-67.6	175.1	2.1	0	0	113.3
166	C	90.7	Very high	88.5	Confident	36 Å²	36	78.7 Å²	78.7	24%	0.243	41%	0.406	C	S	.	.	S	Bend	trans	-159.7	168.6	170.9	68.9	0	0	0	0	111.5	C163 K168 H179 H183	C163-C166 WeakPolarHBondContact CB-O 3.39Å; C166-K168 PolarHBondContact O-N 3.13Å; C166-H179 PolarHBondContact SG-NE2 2.85Å; C166-H183 PolarHBondContact SG-NE2 3.05Å; C166-H183 VanDerWaalsContact SG-NE2 3.39Å
167	D	89.6	Confident	88.5	Confident	176 Å²	176	77.4 Å²	77.4	94%	0.941	39%	0.394	S	S	*	.	S	Bend	trans	-72.5	11.9	-175.8	-51.8	-48.3	0	0	0	114.9
168	K	91.4	Very high	88.5	Confident	123 Å²	123	77 Å²	77	54%	0.535	38%	0.383	S	S	.	.			trans	-83	132	-178.4	-65.2	-175.1	-174.5	176.6	0	111	C163 C166 F170	C163-K168 VanDerWaalsContact CB-O 3.3Å; C163-K168 WeakPolarHBondContact CB-O 3.45Å; C163-K168 PolarHBondContact N-O 3.36Å; C166-K168 PolarHBondContact O-N 3.13Å; K168-F170 HydrophobicContact CB-CE2 3.84Å; K168-F170 HydrophobicContact CB-CZ 3.94Å; K168-F170 HydrophobicContact CD-CZ 4.48Å
169	A	90.3	Very high	88.6	Confident	27 Å²	27	73 Å²	73	22%	0.223	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.5	173.5	0	0	0	0	0	111.4	K159 Y161 K162	K159-A169 HydrophobicContact CB-CB 3.56Å; K159-A169 HydrophobicContact CD-CB 4.34Å; K159-A169 WeakPolarHBondContact CD-O 3.32Å; Y161-A169 CarbonylContact O-C 3.57Å; Y161-A169 WeakPolarHBondContact O-CA 3.38Å; K162-A169 HydrophobicContact CG-CB 3.89Å
170	F	88.2	Confident	88.4	Confident	43 Å²	43	71.1 Å²	71.1	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.1	-174	-57.1	-92.9	0	0	0	110.8	K159 Y161 K168 Q172 N175 L176 H179	K159-F170 CarbonylContact C-O 3.53Å; K159-F170 WeakPolarHBondContact CA-O 3.18Å; Y161-F170 WeakPolarHBondContact CD2-O 3.45Å; Y161-F170 PolarHBondContact N-O 2.91Å; Y161-F170 VanDerWaalsContact N-O 3.09Å; Y161-F170 PolarHBondContact O-N 3.48Å; K168-F170 HydrophobicContact CB-CE2 3.84Å; K168-F170 HydrophobicContact CB-CZ 3.94Å; K168-F170 HydrophobicContact CD-CZ 4.48Å; F170-Q172 VanDerWaalsContact C-N 3.3Å; F170-N175 HydrophobicContact CB-CB 4.2Å; F170-N175 HydrophobicContact CD1-CB 3.88Å; F170-N175 HydrophobicContact CG-CB 4.31Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.78Å; F170-L176 HydrophobicContact CD2-CD1 3.7Å; F170-L176 HydrophobicContact CD2-CG 4.34Å; F170-L176 HydrophobicContact CE2-CD1 3.84Å; F170-L176 HydrophobicContact CG-CB 4.14Å; F170-H179 HydrophobicContact CE1-CB 3.88Å; F170-H179 HydrophobicContact CE2-CB 3.88Å; F170-H179 AromaticContact CE2-CD2 3.2Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.33Å; F170-H179 AromaticContact CE2-CG 3.66Å; F170-H179 HydrophobicContact CZ-CB 3.37Å; F170-H179 AromaticContact CZ-CD2 3.27Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.44Å; F170-H179 AromaticContact CZ-CG 3.23Å
171	S	88.1	Confident	88.5	Confident	38 Å²	38	71.2 Å²	71.2	27%	0.266	35%	0.347	S	S	.	.	S	Bend	trans	-77.1	-17.4	177.2	55.6	0	0	0	0	113.3	R153	R153-S171 PolarHBondContact NH1-O 3.34Å
172	Q	87.3	Confident	88.3	Confident	58 Å²	58	72.7 Å²	72.7	27%	0.271	36%	0.362	S	S	.	.	S	Bend	trans	-135.1	143.3	179.1	-54	-176.9	22.1	0	0	110.9	R150 F170 N174 N175 L176	R150-Q172 HydrophobicContact CG-CG 4.23Å; F170-Q172 VanDerWaalsContact C-N 3.3Å; Q172-N174 WeakPolarHBondContact CB-OD1 3.24Å; Q172-N174 PolarHBondContact OE1-OD1 2.7Å; Q172-N175 WeakPolarHBondContact O-CB 3.34Å; Q172-N175 PolarHBondContact O-N 3.29Å; Q172-L176 PolarHBondContact O-N 3.47Å
173	Y	87.5	Confident	88.3	Confident	110 Å²	110	68.4 Å²	68.4	43%	0.431	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-40.7	-175.7	178.4	-105.2	0	0	0	113.6	Y161 N175 L176 Q177	Y161-Y173 AromaticContact CD1-CD2 3.97Å; Y161-Y173 HydrophobicContact CD1-CD2 3.97Å; Y161-Y173 VanDerWaalsContact CD2-N 3.34Å; Y161-Y173 HydrophobicContact CE1-CD2 4.32Å; Y173-N175 PolarHBondContact O-N 3.32Å; Y173-L176 CarbonylContact O-C 3.3Å; Y173-L176 WeakPolarHBondContact O-CA 3.4Å; Y173-L176 WeakPolarHBondContact O-CB 3.48Å; Y173-L176 PolarHBondContact O-N 3.48Å; Y173-Q177 HydrophobicContact CD1-CG 3.89Å; Y173-Q177 HydrophobicContact CE1-CG 3.49Å; Y173-Q177 VanDerWaalsContact CE1-CG 3.49Å; Y173-Q177 HydrophobicContact CE2-CG 4.27Å; Y173-Q177 VanDerWaalsContact CE2-NE2 3.28Å; Y173-Q177 HydrophobicContact CG-CG 4.45Å; Y173-Q177 WeakPolarHBondContact O-CG 3.47Å; Y173-Q177 PolarHBondContact O-N 3.34Å; Y173-Q177 PolarHBondContact OH-NE2 3.32Å
174	N	85.4	Confident	88.3	Confident	86 Å²	86	71.1 Å²	71.1	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-35	175.2	61.7	-28.8	0	0	0	112.7	Q172 Q177 T178	Q172-N174 WeakPolarHBondContact CB-OD1 3.24Å; Q172-N174 PolarHBondContact OE1-OD1 2.7Å; N174-Q177 PolarHBondContact O-N 3.42Å; N174-T178 WeakPolarHBondContact O-CG2 3.47Å; N174-T178 PolarHBondContact O-N 3.24Å; N174-T178 PolarHBondContact O-OG1 3.3Å; N174-T178 VanDerWaalsContact O-OG1 3.1Å
175	N	87.2	Confident	88.2	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	35%	0.352	S	S	.	.	H	α-helix	trans	-69.2	-40	175	-66.9	-21.2	0	0	0	111.3	F170 Q172 Y173 T178 H179	F170-N175 HydrophobicContact CB-CB 4.2Å; F170-N175 HydrophobicContact CD1-CB 3.88Å; F170-N175 HydrophobicContact CG-CB 4.31Å; Q172-N175 WeakPolarHBondContact O-CB 3.34Å; Q172-N175 PolarHBondContact O-N 3.29Å; Y173-N175 PolarHBondContact O-N 3.32Å; N175-T178 WeakPolarHBondContact CA-OG1 3.49Å; N175-T178 PolarHBondContact O-OG1 3.49Å; N175-H179 WeakPolarHBondContact O-CB 3.38Å; N175-H179 PolarHBondContact O-N 3.45Å
176	L	87.7	Confident	88.3	Confident	14 Å²	14	66.5 Å²	66.5	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-44.9	170.1	173.6	63.1	0	0	0	111	C163 F170 Q172 Y173 T178 H179 R180	C163-L176 HydrophobicContact CB-CD1 3.82Å; F170-L176 HydrophobicContact CB-CB 4.23Å; F170-L176 HydrophobicContact CD2-CB 3.78Å; F170-L176 HydrophobicContact CD2-CD1 3.7Å; F170-L176 HydrophobicContact CD2-CG 4.34Å; F170-L176 HydrophobicContact CE2-CD1 3.84Å; F170-L176 HydrophobicContact CG-CB 4.14Å; Q172-L176 PolarHBondContact O-N 3.47Å; Y173-L176 CarbonylContact O-C 3.3Å; Y173-L176 WeakPolarHBondContact O-CA 3.4Å; Y173-L176 WeakPolarHBondContact O-CB 3.48Å; Y173-L176 PolarHBondContact O-N 3.48Å; L176-T178 PolarHBondContact O-N 3.17Å; L176-H179 CarbonylContact O-C 3.34Å; L176-H179 WeakPolarHBondContact O-CA 3.32Å; L176-H179 WeakPolarHBondContact O-CB 3.37Å; L176-H179 PolarHBondContact O-N 3.33Å; L176-H179 VanDerWaalsContact O-N 3.1Å; L176-R180 HydrophobicContact CD1-CG 4.24Å; L176-R180 HydrophobicContact CG-CG 4.44Å; L176-R180 WeakPolarHBondContact O-CG 3.46Å; L176-R180 PolarHBondContact O-N 3.36Å
177	Q	88	Confident	88.2	Confident	51 Å²	51	70.6 Å²	70.6	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-44.5	179.8	-71.7	-55.3	-40.3	0	0	112.7	Y173 N174 H179 R180	Y173-Q177 HydrophobicContact CD1-CG 3.89Å; Y173-Q177 HydrophobicContact CE1-CG 3.49Å; Y173-Q177 VanDerWaalsContact CE1-CG 3.49Å; Y173-Q177 HydrophobicContact CE2-CG 4.27Å; Y173-Q177 VanDerWaalsContact CE2-NE2 3.28Å; Y173-Q177 HydrophobicContact CG-CG 4.45Å; Y173-Q177 WeakPolarHBondContact O-CG 3.47Å; Y173-Q177 PolarHBondContact O-N 3.34Å; Y173-Q177 PolarHBondContact OH-NE2 3.32Å; N174-Q177 PolarHBondContact O-N 3.42Å; Q177-H179 VanDerWaalsContact C-N 3.29Å; Q177-H179 PolarHBondContact O-N 2.9Å; Q177-R180 PolarHBondContact O-N 3.13Å
178	T	84.7	Confident	88.2	Confident	38 Å²	38	65.6 Å²	65.6	23%	0.233	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-32.2	174	54	0	0	0	0	112.3	N174 N175 L176 R181 Q200	N174-T178 WeakPolarHBondContact O-CG2 3.47Å; N174-T178 PolarHBondContact O-N 3.24Å; N174-T178 PolarHBondContact O-OG1 3.3Å; N174-T178 VanDerWaalsContact O-OG1 3.1Å; N175-T178 WeakPolarHBondContact CA-OG1 3.49Å; N175-T178 PolarHBondContact O-OG1 3.49Å; L176-T178 PolarHBondContact O-N 3.17Å; T178-R181 WeakPolarHBondContact O-CB 3.35Å; T178-Q200 HydrophobicContact CG2-CG 4.5Å
179	H	88.5	Confident	88.2	Confident	16 Å²	16	63 Å²	63	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-68.8	-39.5	172.3	167.2	53.6	0	0	0	113	C166 F170 N175 L176 Q177 R181 T182 H183	C166-H179 PolarHBondContact SG-NE2 2.85Å; F170-H179 HydrophobicContact CE1-CB 3.88Å; F170-H179 HydrophobicContact CE2-CB 3.88Å; F170-H179 AromaticContact CE2-CD2 3.2Å; F170-H179 WeakPolarHBondContact CE2-CD2 3.33Å; F170-H179 AromaticContact CE2-CG 3.66Å; F170-H179 HydrophobicContact CZ-CB 3.37Å; F170-H179 AromaticContact CZ-CD2 3.27Å; F170-H179 WeakPolarHBondContact CZ-CD2 3.44Å; F170-H179 AromaticContact CZ-CG 3.23Å; N175-H179 WeakPolarHBondContact O-CB 3.38Å; N175-H179 PolarHBondContact O-N 3.45Å; L176-H179 CarbonylContact O-C 3.34Å; L176-H179 WeakPolarHBondContact O-CA 3.32Å; L176-H179 WeakPolarHBondContact O-CB 3.37Å; L176-H179 PolarHBondContact O-N 3.33Å; L176-H179 VanDerWaalsContact O-N 3.1Å; Q177-H179 VanDerWaalsContact C-N 3.29Å; Q177-H179 PolarHBondContact O-N 2.9Å; H179-R181 PolarHBondContact O-N 2.82Å; H179-T182 PolarHBondContact CE1-OG1 3.35Å; H179-T182 PolarHBondContact ND1-OG1 3.43Å; H179-T182 VanDerWaalsContact ND1-OG1 3.16Å; H179-T182 WeakPolarHBondContact O-CB 3.37Å; H179-T182 WeakPolarHBondContact O-CG2 3.33Å; H179-T182 PolarHBondContact O-N 3.29Å; H179-T182 PolarHBondContact O-OG1 2.83Å; H179-H183 AromaticContact CE1-CD2 4Å; H179-H183 AromaticContact CE1-NE2 3.39Å; H179-H183 PolarHBondContact CE1-NE2 3.3Å; H179-H183 AromaticContact NE2-CD2 3.96Å; H179-H183 AromaticContact NE2-NE2 3.31Å; H179-H183 PolarHBondContact NE2-NE2 2.76Å
180	R	87.4	Confident	88.2	Confident	83 Å²	83	69.7 Å²	69.7	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-54.8	-31.8	178.6	-74.8	178.7	73	-125.8	3.5	112.4	L176 Q177 T182 H183 T184	L176-R180 HydrophobicContact CD1-CG 4.24Å; L176-R180 HydrophobicContact CG-CG 4.44Å; L176-R180 WeakPolarHBondContact O-CG 3.46Å; L176-R180 PolarHBondContact O-N 3.36Å; Q177-R180 PolarHBondContact O-N 3.13Å; R180-T182 PolarHBondContact O-N 2.94Å; R180-T182 VanDerWaalsContact O-N 3.12Å; R180-H183 PolarHBondContact O-N 3.5Å; R180-T184 PolarHBondContact O-N 3.47Å
181	R	89.9	Confident	88.3	Confident	57 Å²	57	68.3 Å²	68.3	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-21.8	172.9	-60.8	179.2	-177.9	164.9	0.8	114	T178 H179 H183 T184 G185 E186 S199	T178-R181 WeakPolarHBondContact O-CB 3.35Å; H179-R181 PolarHBondContact O-N 2.82Å; R181-H183 VanDerWaalsContact C-N 3.29Å; R181-T184 WeakPolarHBondContact CA-OG1 3.33Å; R181-G185 WeakPolarHBondContact O-CA 3.46Å; R181-G185 PolarHBondContact O-N 2.83Å; R181-E186 HydrophobicContact CG-CB 4.34Å; R181-S199 WeakPolarHBondContact CD-O 3.34Å; R181-S199 PolarHBondContact NH1-O 3.33Å
182	T	87.6	Confident	88.4	Confident	92 Å²	92	72.9 Å²	72.9	56%	0.564	37%	0.367	S	S	*	.	H	α-helix	trans	-72.3	-24	174.4	68.2	0	0	0	0	112.9	H179 R180	H179-T182 PolarHBondContact CE1-OG1 3.35Å; H179-T182 PolarHBondContact ND1-OG1 3.43Å; H179-T182 VanDerWaalsContact ND1-OG1 3.16Å; H179-T182 WeakPolarHBondContact O-CB 3.37Å; H179-T182 WeakPolarHBondContact O-CG2 3.33Å; H179-T182 PolarHBondContact O-N 3.29Å; H179-T182 PolarHBondContact O-OG1 2.83Å; R180-T182 PolarHBondContact O-N 2.94Å; R180-T182 VanDerWaalsContact O-N 3.12Å
183	H	89.6	Confident	88.4	Confident	74 Å²	74	75.2 Å²	75.2	34%	0.343	38%	0.378	S	S	.	.	H	α-helix	trans	-90.6	-41.5	175.8	-61.5	-74.4	0	0	0	112.1	C163 C166 H179 R180 R181 G185	C163-H183 PolarHBondContact SG-NE2 3.19Å; C166-H183 PolarHBondContact SG-NE2 3.05Å; C166-H183 VanDerWaalsContact SG-NE2 3.39Å; H179-H183 AromaticContact CE1-CD2 4Å; H179-H183 AromaticContact CE1-NE2 3.39Å; H179-H183 PolarHBondContact CE1-NE2 3.3Å; H179-H183 AromaticContact NE2-CD2 3.96Å; H179-H183 AromaticContact NE2-NE2 3.31Å; H179-H183 PolarHBondContact NE2-NE2 2.76Å; R180-H183 PolarHBondContact O-N 3.5Å; R181-H183 VanDerWaalsContact C-N 3.29Å; H183-G185 VanDerWaalsContact C-N 3.28Å; H183-G185 PolarHBondContact O-N 2.8Å
184	T	88.8	Confident	88.6	Confident	70 Å²	70	71.7 Å²	71.7	43%	0.429	37%	0.369	S	S	.	.	H	α-helix	trans	-75.6	-19.2	178.5	62.5	0	0	0	0	112.8	R180 R181 E186	R180-T184 PolarHBondContact O-N 3.47Å; R181-T184 WeakPolarHBondContact CA-OG1 3.33Å; T184-E186 PolarHBondContact O-N 3.19Å; T184-E186 WeakPolarHBondContact OG1-CB 3.44Å; T184-E186 WeakPolarHBondContact OG1-CG 3.3Å; T184-E186 PolarHBondContact OG1-N 3.39Å
185	G	86.9	Confident	88.8	Confident	48 Å²	48	75.9 Å²	75.9	50%	0.495	39%	0.391	S	S	.	.			trans	74.1	3.1	-173.9	0	0	0	0	0	113.8	R181 H183 K187	R181-G185 WeakPolarHBondContact O-CA 3.46Å; R181-G185 PolarHBondContact O-N 2.83Å; H183-G185 VanDerWaalsContact C-N 3.28Å; H183-G185 PolarHBondContact O-N 2.8Å; G185-K187 PolarHBondContact O-N 3.26Å
186	E	89	Confident	89.1	Confident	94 Å²	94	78.7 Å²	78.7	44%	0.439	40%	0.401	S	S	.	.			trans	-59.4	129.5	-178.3	-77.7	175.5	-165.2	0	0	112.3	R181 T184	R181-E186 HydrophobicContact CG-CB 4.34Å; T184-E186 PolarHBondContact O-N 3.19Å; T184-E186 WeakPolarHBondContact OG1-CB 3.44Å; T184-E186 WeakPolarHBondContact OG1-CG 3.3Å; T184-E186 PolarHBondContact OG1-N 3.39Å
187	K	89.6	Confident	89.2	Confident	121 Å²	121	79.2 Å²	79.2	53%	0.526	41%	0.407	S	S	.	.			trans	-130.3	76.7	-179.9	-74	163.7	171.2	-171.6	0	110	G185 Y189 A197 F198	G185-K187 PolarHBondContact O-N 3.26Å; K187-Y189 PolarHBondContact O-N 3.38Å; K187-A197 HydrophobicContact CB-CB 3.54Å; K187-A197 HydrophobicContact CD-CB 4.37Å; K187-A197 VanDerWaalsContact CD-O 3.28Å; K187-A197 WeakPolarHBondContact CD-O 3.2Å; K187-A197 WeakPolarHBondContact O-CB 3.5Å; K187-F198 CarbonylContact C-O 3.55Å; K187-F198 VanDerWaalsContact C-O 3.27Å; K187-F198 VanDerWaalsContact CA-O 3.31Å; K187-F198 WeakPolarHBondContact CA-O 3.49Å
188	P	89	Confident	89.3	Confident	71 Å²	71	78.7 Å²	78.7	46%	0.461	40%	0.404	S	S	.	.			trans	-64.3	-25.6	-173.5	-23	34.9	0	0	0	113.7	K190	P188-K190 PolarHBondContact O-N 3.35Å
189	Y	91.1	Very high	89.5	Confident	70 Å²	70	78.6 Å²	78.6	28%	0.275	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	90.4	-173.5	-53.9	-75.6	0	0	0	110.3	K187 A197 F198 H201	K187-Y189 PolarHBondContact O-N 3.38Å; Y189-A197 CarbonylContact O-C 3.56Å; Y189-A197 WeakPolarHBondContact O-CA 3.44Å; Y189-F198 WeakPolarHBondContact CD2-O 3.43Å; Y189-F198 PolarHBondContact N-O 3.37Å; Y189-F198 VanDerWaalsContact N-O 3.1Å; Y189-F198 PolarHBondContact O-N 3.41Å; Y189-H201 HydrophobicContact CD1-CB 4Å; Y189-H201 VanDerWaalsContact CD2-N 3.34Å; Y189-H201 HydrophobicContact CE1-CB 3.78Å; Y189-H201 HydrophobicContact CE2-CB 4.3Å; Y189-H201 VanDerWaalsContact CE2-N 3.32Å; Y189-H201 HydrophobicContact CG-CB 4.37Å
190	K	90.4	Very high	89.4	Confident	167 Å²	167	81.4 Å²	81.4	73%	0.726	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.2	177.9	-59.8	-176.9	-179	177.9	0	111.2	P188 A197	P188-K190 PolarHBondContact O-N 3.35Å; K190-A197 HydrophobicContact CB-CB 4.47Å; K190-A197 HydrophobicContact CG-CB 3.9Å
191	C	90.6	Very high	89.5	Confident	13 Å²	13	82 Å²	82	9%	0.088	42%	0.424	C	S	.	.			trans	-75	139.5	166.6	-173.6	0	0	0	0	109.2	Q193 K196 L204 H211	C191-Q193 PolarHBondContact SG-N 3.15Å; C191-Q193 VanDerWaalsContact SG-N 3.42Å; C191-K196 VanDerWaalsContact CB-O 3.28Å; C191-K196 WeakPolarHBondContact CB-O 3.44Å; C191-K196 PolarHBondContact N-O 3.5Å; C191-L204 HydrophobicContact CB-CD1 3.91Å; C191-H211 PolarHBondContact SG-NE2 3.24Å
192	N	90	Very high	89.3	Confident	134 Å²	134	82.5 Å²	82.5	72%	0.717	44%	0.436	S	S	*	.	S	Bend	trans	-86.5	-10.1	176.6	63	-24.4	0	0	0	113.4
193	Q	87.9	Confident	89.4	Confident	108 Å²	108	80.5 Å²	80.5	51%	0.505	42%	0.424	S	S	.	.	S	Bend	trans	-109.1	-6.4	-177.9	-69.1	174.2	-7.4	0	0	113.1	C191	C191-Q193 PolarHBondContact SG-N 3.15Å; C191-Q193 VanDerWaalsContact SG-N 3.42Å
194	C	91.6	Very high	89.4	Confident	36 Å²	36	77.8 Å²	77.8	24%	0.243	41%	0.412	C	S	.	.	S	Bend	trans	-158.9	168.9	171.1	69.4	0	0	0	0	111.4	K196 H207 H211	C194-K196 PolarHBondContact O-N 3.42Å; C194-H207 PolarHBondContact SG-NE2 3.33Å; C194-H211 PolarHBondContact SG-NE2 2.94Å; C194-H211 VanDerWaalsContact SG-NE2 3.37Å
195	D	90.6	Very high	89.4	Confident	173 Å²	173	77.7 Å²	77.7	93%	0.925	41%	0.406	S	S	*	.	S	Bend	trans	-72.6	9.9	-176.5	-51.7	-50.1	0	0	0	114.6
196	K	92.1	Very high	89.4	Confident	123 Å²	123	77.3 Å²	77.3	54%	0.535	40%	0.395	S	S	.	.			trans	-81.7	131.7	-178.6	-67.4	-179.4	179.3	175.6	0	110.8	C191 C194 F198	C191-K196 VanDerWaalsContact CB-O 3.28Å; C191-K196 WeakPolarHBondContact CB-O 3.44Å; C191-K196 PolarHBondContact N-O 3.5Å; C194-K196 PolarHBondContact O-N 3.42Å; K196-F198 HydrophobicContact CB-CE2 3.86Å; K196-F198 HydrophobicContact CB-CZ 3.94Å
197	A	90.8	Very high	89.5	Confident	24 Å²	24	73.6 Å²	73.6	20%	0.198	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.3	172.6	0	0	0	0	0	111.1	K187 Y189 K190	K187-A197 HydrophobicContact CB-CB 3.54Å; K187-A197 HydrophobicContact CD-CB 4.37Å; K187-A197 VanDerWaalsContact CD-O 3.28Å; K187-A197 WeakPolarHBondContact CD-O 3.2Å; K187-A197 WeakPolarHBondContact O-CB 3.5Å; Y189-A197 CarbonylContact O-C 3.56Å; Y189-A197 WeakPolarHBondContact O-CA 3.44Å; K190-A197 HydrophobicContact CB-CB 4.47Å; K190-A197 HydrophobicContact CG-CB 3.9Å
198	F	89.3	Confident	89.5	Confident	41 Å²	41	72.6 Å²	72.6	18%	0.18	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.1	-173.3	-58.3	-91.6	0	0	0	111.5	K187 Y189 K196 Q200 T203 L204 H207	K187-F198 CarbonylContact C-O 3.55Å; K187-F198 VanDerWaalsContact C-O 3.27Å; K187-F198 VanDerWaalsContact CA-O 3.31Å; K187-F198 WeakPolarHBondContact CA-O 3.49Å; Y189-F198 WeakPolarHBondContact CD2-O 3.43Å; Y189-F198 PolarHBondContact N-O 3.37Å; Y189-F198 VanDerWaalsContact N-O 3.1Å; Y189-F198 PolarHBondContact O-N 3.41Å; K196-F198 HydrophobicContact CB-CE2 3.86Å; K196-F198 HydrophobicContact CB-CZ 3.94Å; F198-Q200 VanDerWaalsContact C-N 3.33Å; F198-T203 WeakPolarHBondContact CB-OG1 3.14Å; F198-L204 HydrophobicContact CB-CB 4.26Å; F198-L204 HydrophobicContact CD2-CB 3.84Å; F198-L204 HydrophobicContact CD2-CD1 3.68Å; F198-L204 HydrophobicContact CD2-CG 4.36Å; F198-L204 HydrophobicContact CE2-CD1 3.86Å; F198-L204 HydrophobicContact CG-CB 4.2Å; F198-H207 HydrophobicContact CE1-CB 3.91Å; F198-H207 HydrophobicContact CE2-CB 3.87Å; F198-H207 AromaticContact CE2-CD2 3.18Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.33Å; F198-H207 AromaticContact CE2-CG 3.58Å; F198-H207 AromaticContact CE2-NE2 3.92Å; F198-H207 HydrophobicContact CZ-CB 3.41Å; F198-H207 VanDerWaalsContact CZ-CB 3.41Å; F198-H207 AromaticContact CZ-CD2 3.29Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.46Å; F198-H207 AromaticContact CZ-CG 3.18Å; F198-H207 AromaticContact CZ-ND1 3.83Å; F198-H207 AromaticContact CZ-NE2 3.93Å
199	S	89	Confident	89.6	Confident	35 Å²	35	72.4 Å²	72.4	25%	0.245	36%	0.36	C	S	.	.	S	Bend	trans	-79	-16.6	177	58.1	0	0	0	0	112.8	R181	R181-S199 WeakPolarHBondContact CD-O 3.34Å; R181-S199 PolarHBondContact NH1-O 3.33Å
200	Q	86.9	Confident	89.5	Confident	75 Å²	75	73.4 Å²	73.4	35%	0.35	37%	0.374	S	S	.	.	S	Bend	trans	-133.6	143.1	179.4	-60.2	-177.2	15.1	0	0	111.9	T178 F198 S202 T203 L204	T178-Q200 HydrophobicContact CG2-CG 4.5Å; F198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-S202 PolarHBondContact O-N 3.36Å; Q200-T203 HydrophobicContact CB-CG2 4.39Å; Q200-T203 PolarHBondContact O-N 3.5Å; Q200-T203 PolarHBondContact O-OG1 3.03Å; Q200-L204 PolarHBondContact O-N 2.79Å
201	H	89.5	Confident	89.5	Confident	95 Å²	95	69 Å²	69	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-41.8	179.4	176.8	-104.7	0	0	0	112.5	Y189 T203 L204 Q205	Y189-H201 HydrophobicContact CD1-CB 4Å; Y189-H201 VanDerWaalsContact CD2-N 3.34Å; Y189-H201 HydrophobicContact CE1-CB 3.78Å; Y189-H201 HydrophobicContact CE2-CB 4.3Å; Y189-H201 VanDerWaalsContact CE2-N 3.32Å; Y189-H201 HydrophobicContact CG-CB 4.37Å; H201-T203 VanDerWaalsContact C-N 3.26Å; H201-T203 PolarHBondContact O-N 2.82Å; H201-L204 WeakPolarHBondContact O-CB 3.44Å; H201-L204 PolarHBondContact O-N 3.03Å; H201-L204 VanDerWaalsContact O-N 3.11Å; H201-Q205 WeakPolarHBondContact CE1-CG 3.26Å; H201-Q205 PolarHBondContact CE1-NE2 3.43Å; H201-Q205 PolarHBondContact NE2-NE2 3.32Å; H201-Q205 WeakPolarHBondContact O-CG 3.47Å; H201-Q205 PolarHBondContact O-N 3.34Å
202	S	86	Confident	89.4	Confident	68 Å²	68	71.7 Å²	71.7	48%	0.476	37%	0.372	S	S	.	.	H	α-helix	trans	-56.2	-40.7	177.6	51.5	0	0	0	0	112.4	Q200 Q205 T206	Q200-S202 PolarHBondContact O-N 3.36Å; S202-Q205 PolarHBondContact O-N 3.23Å; S202-T206 PolarHBondContact O-N 2.77Å; S202-T206 PolarHBondContact O-OG1 3.25Å
203	T	88.7	Confident	89.3	Confident	50 Å²	50	67.6 Å²	67.6	31%	0.307	36%	0.361	S	S	.	.	H	α-helix	trans	-71.1	-33.6	177.6	54.9	0	0	0	0	113.1	F198 Q200 H201 T206 H207	F198-T203 WeakPolarHBondContact CB-OG1 3.14Å; Q200-T203 HydrophobicContact CB-CG2 4.39Å; Q200-T203 PolarHBondContact O-N 3.5Å; Q200-T203 PolarHBondContact O-OG1 3.03Å; H201-T203 VanDerWaalsContact C-N 3.26Å; H201-T203 PolarHBondContact O-N 2.82Å; T203-T206 PolarHBondContact O-OG1 3.25Å; T203-T206 VanDerWaalsContact O-OG1 3.08Å; T203-H207 VanDerWaalsContact O-CB 3.26Å; T203-H207 WeakPolarHBondContact O-CB 3.36Å; T203-H207 PolarHBondContact O-N 2.83Å
204	L	89.9	Confident	89.4	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-43.8	169.6	172.6	63.5	0	0	0	110.3	C191 F198 Q200 H201 T206 H207 R208	C191-L204 HydrophobicContact CB-CD1 3.91Å; F198-L204 HydrophobicContact CB-CB 4.26Å; F198-L204 HydrophobicContact CD2-CB 3.84Å; F198-L204 HydrophobicContact CD2-CD1 3.68Å; F198-L204 HydrophobicContact CD2-CG 4.36Å; F198-L204 HydrophobicContact CE2-CD1 3.86Å; F198-L204 HydrophobicContact CG-CB 4.2Å; Q200-L204 PolarHBondContact O-N 2.79Å; H201-L204 WeakPolarHBondContact O-CB 3.44Å; H201-L204 PolarHBondContact O-N 3.03Å; H201-L204 VanDerWaalsContact O-N 3.11Å; L204-T206 PolarHBondContact O-N 3.15Å; L204-H207 CarbonylContact O-C 3.57Å; L204-H207 WeakPolarHBondContact O-CB 3.19Å; L204-H207 PolarHBondContact O-N 3.32Å; L204-H207 VanDerWaalsContact O-N 3.14Å; L204-R208 HydrophobicContact CD1-CG 4.22Å; L204-R208 HydrophobicContact CG-CG 4.44Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 3.48Å
205	Q	89.4	Confident	89.5	Confident	68 Å²	68	72 Å²	72	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-42.4	-179.8	-70.7	-61.5	-17.3	0	0	112.6	H201 S202 H207 R208	H201-Q205 WeakPolarHBondContact CE1-CG 3.26Å; H201-Q205 PolarHBondContact CE1-NE2 3.43Å; H201-Q205 PolarHBondContact NE2-NE2 3.32Å; H201-Q205 WeakPolarHBondContact O-CG 3.47Å; H201-Q205 PolarHBondContact O-N 3.34Å; S202-Q205 PolarHBondContact O-N 3.23Å; Q205-H207 VanDerWaalsContact C-N 3.33Å; Q205-R208 PolarHBondContact O-N 3.01Å
206	T	87	Confident	89.5	Confident	40 Å²	40	67.1 Å²	67.1	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-36	173.3	57.3	0	0	0	0	111.8	S202 T203 L204 R209 E228	S202-T206 PolarHBondContact O-N 2.77Å; S202-T206 PolarHBondContact O-OG1 3.25Å; T203-T206 PolarHBondContact O-OG1 3.25Å; T203-T206 VanDerWaalsContact O-OG1 3.08Å; L204-T206 PolarHBondContact O-N 3.15Å; T206-R209 WeakPolarHBondContact O-CB 3.47Å; T206-R209 PolarHBondContact O-N 2.85Å; T206-E228 HydrophobicContact CG2-CG 4.22Å
207	H	90.3	Very high	89.5	Confident	17 Å²	17	64.2 Å²	64.2	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-39.2	174.8	167.7	59.9	0	0	0	113.3	C194 F198 T203 L204 Q205 R209 T210 H211	C194-H207 PolarHBondContact SG-NE2 3.33Å; F198-H207 HydrophobicContact CE1-CB 3.91Å; F198-H207 HydrophobicContact CE2-CB 3.87Å; F198-H207 AromaticContact CE2-CD2 3.18Å; F198-H207 WeakPolarHBondContact CE2-CD2 3.33Å; F198-H207 AromaticContact CE2-CG 3.58Å; F198-H207 AromaticContact CE2-NE2 3.92Å; F198-H207 HydrophobicContact CZ-CB 3.41Å; F198-H207 VanDerWaalsContact CZ-CB 3.41Å; F198-H207 AromaticContact CZ-CD2 3.29Å; F198-H207 WeakPolarHBondContact CZ-CD2 3.46Å; F198-H207 AromaticContact CZ-CG 3.18Å; F198-H207 AromaticContact CZ-ND1 3.83Å; F198-H207 AromaticContact CZ-NE2 3.93Å; T203-H207 VanDerWaalsContact O-CB 3.26Å; T203-H207 WeakPolarHBondContact O-CB 3.36Å; T203-H207 PolarHBondContact O-N 2.83Å; L204-H207 CarbonylContact O-C 3.57Å; L204-H207 WeakPolarHBondContact O-CB 3.19Å; L204-H207 PolarHBondContact O-N 3.32Å; L204-H207 VanDerWaalsContact O-N 3.14Å; Q205-H207 VanDerWaalsContact C-N 3.33Å; H207-R209 PolarHBondContact O-N 3.29Å; H207-R209 VanDerWaalsContact O-N 3.09Å; H207-T210 PolarHBondContact CE1-OG1 3.49Å; H207-T210 PolarHBondContact ND1-OG1 3.08Å; H207-T210 VanDerWaalsContact O-CB 3.28Å; H207-T210 WeakPolarHBondContact O-CB 3.42Å; H207-T210 WeakPolarHBondContact O-CG2 3.34Å; H207-T210 PolarHBondContact O-N 3.37Å; H207-T210 PolarHBondContact O-OG1 3.36Å; H207-H211 AromaticContact CE1-NE2 3.53Å; H207-H211 AromaticContact NE2-CD2 3.96Å; H207-H211 AromaticContact NE2-NE2 3.33Å; H207-H211 PolarHBondContact NE2-NE2 3.17Å
208	R	89	Confident	89.6	Confident	99 Å²	99	70.9 Å²	70.9	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-55.3	-31	178	-75.3	177.4	70.5	-123.1	-0.8	112.5	L204 Q205 T210 H211 T212	L204-R208 HydrophobicContact CD1-CG 4.22Å; L204-R208 HydrophobicContact CG-CG 4.44Å; L204-R208 WeakPolarHBondContact O-CG 3.43Å; L204-R208 PolarHBondContact O-N 3.48Å; Q205-R208 PolarHBondContact O-N 3.01Å; R208-T210 PolarHBondContact O-N 2.92Å; R208-T210 VanDerWaalsContact O-N 3.15Å; R208-H211 PolarHBondContact O-N 2.78Å; R208-T212 PolarHBondContact O-N 3.49Å
209	R	90.7	Very high	89.8	Confident	68 Å²	68	69.5 Å²	69.5	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-21.1	173.9	-60.3	179.4	178.8	163.3	2.1	113.8	T206 H207 H211 T212 G213 E214 S227	T206-R209 WeakPolarHBondContact O-CB 3.47Å; T206-R209 PolarHBondContact O-N 2.85Å; H207-R209 PolarHBondContact O-N 3.29Å; H207-R209 VanDerWaalsContact O-N 3.09Å; R209-H211 VanDerWaalsContact C-N 3.31Å; R209-T212 WeakPolarHBondContact CA-OG1 3.43Å; R209-G213 WeakPolarHBondContact O-CA 3.49Å; R209-G213 PolarHBondContact O-N 2.84Å; R209-E214 HydrophobicContact CG-CB 4.43Å; R209-E214 PolarHBondContact O-N 3.45Å; R209-S227 WeakPolarHBondContact CD-O 3.44Å; R209-S227 PolarHBondContact NH1-O 2.95Å
210	T	89.5	Confident	89.9	Confident	90 Å²	90	74 Å²	74	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-71.6	-26.6	175.4	66.8	0	0	0	0	112.8	H207 R208	H207-T210 PolarHBondContact CE1-OG1 3.49Å; H207-T210 PolarHBondContact ND1-OG1 3.08Å; H207-T210 VanDerWaalsContact O-CB 3.28Å; H207-T210 WeakPolarHBondContact O-CB 3.42Å; H207-T210 WeakPolarHBondContact O-CG2 3.34Å; H207-T210 PolarHBondContact O-N 3.37Å; H207-T210 PolarHBondContact O-OG1 3.36Å; R208-T210 PolarHBondContact O-N 2.92Å; R208-T210 VanDerWaalsContact O-N 3.15Å
211	H	90.7	Very high	90.1	Very high	75 Å²	75	75.6 Å²	75.6	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-87.1	-41.4	175.4	-63.2	-71.8	0	0	0	112.2	C191 C194 H207 R208 R209 G213	C191-H211 PolarHBondContact SG-NE2 3.24Å; C194-H211 PolarHBondContact SG-NE2 2.94Å; C194-H211 VanDerWaalsContact SG-NE2 3.37Å; H207-H211 AromaticContact CE1-NE2 3.53Å; H207-H211 AromaticContact NE2-CD2 3.96Å; H207-H211 AromaticContact NE2-NE2 3.33Å; H207-H211 PolarHBondContact NE2-NE2 3.17Å; R208-H211 PolarHBondContact O-N 2.78Å; R209-H211 VanDerWaalsContact C-N 3.31Å; H211-G213 VanDerWaalsContact C-N 3.26Å; H211-G213 PolarHBondContact O-N 3.39Å
212	T	89.3	Confident	90.2	Very high	70 Å²	70	72.8 Å²	72.8	43%	0.429	38%	0.381	S	S	.	.	H	α-helix	trans	-75.1	-18.7	178.4	62.7	0	0	0	0	112.6	R208 R209 E214	R208-T212 PolarHBondContact O-N 3.49Å; R209-T212 WeakPolarHBondContact CA-OG1 3.43Å; T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 WeakPolarHBondContact OG1-CB 3.35Å; T212-E214 WeakPolarHBondContact OG1-CG 3.37Å; T212-E214 PolarHBondContact OG1-N 2.9Å
213	G	88	Confident	90.5	Very high	47 Å²	47	77.9 Å²	77.9	49%	0.485	40%	0.403	S	S	.	.			trans	72.1	3.9	-172.8	0	0	0	0	0	113.6	R209 H211 K215	R209-G213 WeakPolarHBondContact O-CA 3.49Å; R209-G213 PolarHBondContact O-N 2.84Å; H211-G213 VanDerWaalsContact C-N 3.26Å; H211-G213 PolarHBondContact O-N 3.39Å; G213-K215 PolarHBondContact O-N 2.86Å
214	E	90.2	Very high	90.7	Very high	115 Å²	115	81.3 Å²	81.3	54%	0.537	41%	0.413	S	S	.	.			trans	-60.2	127.5	-178.3	-77.8	178.3	-176.7	0	0	111.8	R209 T212	R209-E214 HydrophobicContact CG-CB 4.43Å; R209-E214 PolarHBondContact O-N 3.45Å; T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 WeakPolarHBondContact OG1-CB 3.35Å; T212-E214 WeakPolarHBondContact OG1-CG 3.37Å; T212-E214 PolarHBondContact OG1-N 2.9Å
215	K	92.1	Very high	90.9	Very high	121 Å²	121	81.7 Å²	81.7	53%	0.526	42%	0.419	S	S	.	.			trans	-129.2	77.4	179.1	-73.4	163.8	171.9	-174.5	0	109.8	G213 F217 A225 F226	G213-K215 PolarHBondContact O-N 2.86Å; K215-F217 PolarHBondContact O-N 2.9Å; K215-F217 VanDerWaalsContact O-N 3.17Å; K215-A225 HydrophobicContact CB-CB 3.47Å; K215-A225 VanDerWaalsContact CB-CB 3.47Å; K215-A225 HydrophobicContact CD-CB 4.26Å; K215-A225 VanDerWaalsContact CD-O 3.3Å; K215-A225 WeakPolarHBondContact CD-O 3.41Å; K215-A225 HydrophobicContact CG-CB 4.42Å; K215-F226 CarbonylContact C-O 3.51Å; K215-F226 VanDerWaalsContact C-O 3.3Å; K215-F226 WeakPolarHBondContact CA-O 3.46Å
216	P	90.5	Very high	91	Very high	72 Å²	72	80.4 Å²	80.4	47%	0.468	41%	0.412	S	S	.	.			trans	-63.1	-24.3	-173.6	-23.4	34.9	0	0	0	113.7	K218	P216-K218 PolarHBondContact O-N 3.1Å
217	F	93.5	Very high	91.1	Very high	62 Å²	62	80.1 Å²	80.1	27%	0.272	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	89	-173.7	-55	-74.1	0	0	0	110.7	K215 A225 F226 S227 K229 L232	K215-F217 PolarHBondContact O-N 2.9Å; K215-F217 VanDerWaalsContact O-N 3.17Å; F217-A225 CarbonylContact O-C 3.48Å; F217-A225 WeakPolarHBondContact O-CA 3.4Å; F217-F226 HydrophobicContact CB-CB 4.42Å; F217-F226 WeakPolarHBondContact CD2-O 3.37Å; F217-F226 PolarHBondContact N-O 2.84Å; F217-F226 VanDerWaalsContact N-O 3.11Å; F217-F226 PolarHBondContact O-N 2.83Å; F217-S227 WeakPolarHBondContact CE2-O 3.48Å; F217-K229 HydrophobicContact CD1-CB 4.01Å; F217-K229 HydrophobicContact CD1-CG 4.33Å; F217-K229 HydrophobicContact CD2-CB 4.48Å; F217-K229 HydrophobicContact CE1-CB 3.77Å; F217-K229 HydrophobicContact CE1-CD 4.49Å; F217-K229 HydrophobicContact CE1-CG 4.23Å; F217-K229 HydrophobicContact CE2-CB 4.24Å; F217-K229 HydrophobicContact CG-CB 4.36Å; F217-K229 HydrophobicContact CZ-CB 3.89Å; F217-L232 HydrophobicContact CB-CB 4.02Å; F217-L232 HydrophobicContact CB-CD2 3.79Å; F217-L232 HydrophobicContact CB-CG 4.5Å
218	K	92.6	Very high	91	Very high	164 Å²	164	82.9 Å²	82.9	71%	0.713	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	141.5	177.7	-59.9	-174.7	179.9	180	0	111.6	P216 A225	P216-K218 PolarHBondContact O-N 3.1Å; K218-A225 HydrophobicContact CB-CB 4.47Å; K218-A225 HydrophobicContact CG-CB 3.9Å
219	C	93.4	Very high	91.1	Very high	12 Å²	12	85.5 Å²	85.5	8%	0.081	44%	0.439	C	S	.	.			trans	-76	140.2	166.4	-173.6	0	0	0	0	109.3	Q221 K224 L232	C219-Q221 PolarHBondContact SG-N 2.99Å; C219-Q221 VanDerWaalsContact SG-N 3.42Å; C219-K224 VanDerWaalsContact CB-O 3.26Å; C219-K224 WeakPolarHBondContact CB-O 3.5Å; C219-K224 PolarHBondContact N-O 3.35Å; C219-L232 HydrophobicContact CB-CD1 3.95Å
220	N	91.3	Very high	91	Very high	129 Å²	129	85.8 Å²	85.8	69%	0.69	45%	0.451	S	S	*	.	S	Bend	trans	-86.9	-9.5	176.9	63.8	-29.5	0	0	0	113.4
221	Q	89.6	Confident	91.1	Very high	108 Å²	108	83.3 Å²	83.3	51%	0.505	44%	0.437	S	S	.	.	S	Bend	trans	-110.9	-5.3	-177.5	-68.8	175.4	-8.6	0	0	113	C219	C219-Q221 PolarHBondContact SG-N 2.99Å; C219-Q221 VanDerWaalsContact SG-N 3.42Å
222	C	93	Very high	91.1	Very high	37 Å²	37	80.9 Å²	80.9	25%	0.25	43%	0.426	C	S	.	.	S	Bend	trans	-159.6	169.3	171.1	69.7	0	0	0	0	111.1	K224 H235 H239	C222-K224 PolarHBondContact O-N 3.4Å; C222-H235 PolarHBondContact SG-NE2 3.16Å; C222-H239 PolarHBondContact SG-NE2 3.43Å; C222-H239 VanDerWaalsContact SG-NE2 3.41Å
223	D	91.8	Very high	91.2	Very high	174 Å²	174	81.8 Å²	81.8	93%	0.93	43%	0.426	S	S	*	.	S	Bend	trans	-72.9	9	-176.5	-51.3	-49.7	0	0	0	114.6
224	K	93.8	Very high	91.4	Very high	123 Å²	123	81.8 Å²	81.8	54%	0.535	42%	0.416	S	S	.	.			trans	-80.4	131.6	-178.5	-66.5	-175.2	179.2	-176.1	0	110.9	C219 C222 F226	C219-K224 VanDerWaalsContact CB-O 3.26Å; C219-K224 WeakPolarHBondContact CB-O 3.5Å; C219-K224 PolarHBondContact N-O 3.35Å; C222-K224 PolarHBondContact O-N 3.4Å; K224-F226 HydrophobicContact CB-CE2 3.91Å; K224-F226 HydrophobicContact CB-CZ 3.99Å
225	A	92.7	Very high	91.5	Very high	24 Å²	24	77.2 Å²	77.2	20%	0.198	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151	172.9	0	0	0	0	0	111	K215 F217 K218	K215-A225 HydrophobicContact CB-CB 3.47Å; K215-A225 VanDerWaalsContact CB-CB 3.47Å; K215-A225 HydrophobicContact CD-CB 4.26Å; K215-A225 VanDerWaalsContact CD-O 3.3Å; K215-A225 WeakPolarHBondContact CD-O 3.41Å; K215-A225 HydrophobicContact CG-CB 4.42Å; F217-A225 CarbonylContact O-C 3.48Å; F217-A225 WeakPolarHBondContact O-CA 3.4Å; K218-A225 HydrophobicContact CB-CB 4.47Å; K218-A225 HydrophobicContact CG-CB 3.9Å
226	F	91.4	Very high	91.4	Very high	42 Å²	42	76 Å²	76	18%	0.184	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.5	-174.3	-57.6	-92.3	0	0	0	111.2	K215 F217 K224 E228 L232 H235	K215-F226 CarbonylContact C-O 3.51Å; K215-F226 VanDerWaalsContact C-O 3.3Å; K215-F226 WeakPolarHBondContact CA-O 3.46Å; F217-F226 HydrophobicContact CB-CB 4.42Å; F217-F226 WeakPolarHBondContact CD2-O 3.37Å; F217-F226 PolarHBondContact N-O 2.84Å; F217-F226 VanDerWaalsContact N-O 3.11Å; F217-F226 PolarHBondContact O-N 2.83Å; K224-F226 HydrophobicContact CB-CE2 3.91Å; K224-F226 HydrophobicContact CB-CZ 3.99Å; F226-E228 VanDerWaalsContact C-N 3.28Å; F226-L232 HydrophobicContact CB-CB 4.26Å; F226-L232 HydrophobicContact CD2-CB 3.8Å; F226-L232 HydrophobicContact CD2-CD1 3.72Å; F226-L232 HydrophobicContact CD2-CG 4.36Å; F226-L232 HydrophobicContact CE2-CD1 3.88Å; F226-L232 HydrophobicContact CG-CB 4.18Å; F226-H235 HydrophobicContact CE1-CB 3.89Å; F226-H235 HydrophobicContact CE2-CB 3.83Å; F226-H235 AromaticContact CE2-CD2 3.17Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.38Å; F226-H235 AromaticContact CE2-CG 3.61Å; F226-H235 AromaticContact CE2-NE2 3.97Å; F226-H235 HydrophobicContact CZ-CB 3.36Å; F226-H235 AromaticContact CZ-CD2 3.28Å; F226-H235 WeakPolarHBondContact CZ-CD2 3.47Å; F226-H235 AromaticContact CZ-CG 3.22Å; F226-H235 AromaticContact CZ-ND1 3.97Å; F226-H235 AromaticContact CZ-NE2 4Å
227	S	90.3	Very high	91.5	Very high	34 Å²	34	74.4 Å²	74.4	24%	0.238	37%	0.372	C	S	.	.	S	Bend	trans	-72.9	-21.8	174.2	52.5	0	0	0	0	112.4	R209 F217	R209-S227 WeakPolarHBondContact CD-O 3.44Å; R209-S227 PolarHBondContact NH1-O 2.95Å; F217-S227 WeakPolarHBondContact CE2-O 3.48Å
228	E	88.3	Confident	91.4	Very high	74 Å²	74	75.8 Å²	75.8	35%	0.346	39%	0.385	S	S	.	.	S	Bend	trans	-131.2	144	-177.3	-65.7	179.7	-138.6	0	0	112.5	T206 F226 C230 S231 L232	T206-E228 HydrophobicContact CG2-CG 4.22Å; F226-E228 VanDerWaalsContact C-N 3.28Å; E228-C230 PolarHBondContact O-N 3.2Å; E228-C230 PolarHBondContact OE2-SG 3.48Å; E228-S231 WeakPolarHBondContact O-CB 3.41Å; E228-S231 PolarHBondContact O-N 3.14Å; E228-L232 PolarHBondContact O-N 3.18Å
229	K	90.3	Very high	91.4	Very high	154 Å²	154	71.5 Å²	71.5	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-64.2	-39	-179.2	-172.7	176.5	-179.3	176.6	0	112.2	F217 S231 L232 Q233	F217-K229 HydrophobicContact CD1-CB 4.01Å; F217-K229 HydrophobicContact CD1-CG 4.33Å; F217-K229 HydrophobicContact CD2-CB 4.48Å; F217-K229 HydrophobicContact CE1-CB 3.77Å; F217-K229 HydrophobicContact CE1-CD 4.49Å; F217-K229 HydrophobicContact CE1-CG 4.23Å; F217-K229 HydrophobicContact CE2-CB 4.24Å; F217-K229 HydrophobicContact CG-CB 4.36Å; F217-K229 HydrophobicContact CZ-CB 3.89Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.38Å; K229-L232 PolarHBondContact O-N 3.38Å; K229-Q233 PolarHBondContact O-N 3.46Å
230	C	87.7	Confident	91.3	Very high	75 Å²	75	74.1 Å²	74.1	51%	0.507	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-39	178.1	59.9	0	0	0	0	111.4	E228 Q233 T234	E228-C230 PolarHBondContact O-N 3.2Å; E228-C230 PolarHBondContact OE2-SG 3.48Å; C230-Q233 WeakPolarHBondContact O-CB 3.47Å; C230-Q233 PolarHBondContact O-N 3.15Å; C230-T234 WeakPolarHBondContact O-CG2 3.46Å; C230-T234 PolarHBondContact O-N 3.44Å; C230-T234 PolarHBondContact O-OG1 3.03Å
231	S	92	Very high	91.2	Very high	38 Å²	38	70.2 Å²	70.2	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-46.5	175.7	-51.1	0	0	0	0	111.2	E228 K229 Q233 T234 H235	E228-S231 WeakPolarHBondContact O-CB 3.41Å; E228-S231 PolarHBondContact O-N 3.14Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.38Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.18Å; S231-T234 PolarHBondContact O-N 3.28Å; S231-T234 PolarHBondContact O-OG1 3.13Å; S231-H235 WeakPolarHBondContact O-CB 3.39Å; S231-H235 PolarHBondContact O-N 3.31Å
232	L	91.9	Very high	91.3	Very high	24 Å²	24	70.1 Å²	70.1	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-57.2	-45.7	172.1	174.4	62.8	0	0	0	111.1	F217 C219 F226 E228 K229 T234 H235 R236	F217-L232 HydrophobicContact CB-CB 4.02Å; F217-L232 HydrophobicContact CB-CD2 3.79Å; F217-L232 HydrophobicContact CB-CG 4.5Å; C219-L232 HydrophobicContact CB-CD1 3.95Å; F226-L232 HydrophobicContact CB-CB 4.26Å; F226-L232 HydrophobicContact CD2-CB 3.8Å; F226-L232 HydrophobicContact CD2-CD1 3.72Å; F226-L232 HydrophobicContact CD2-CG 4.36Å; F226-L232 HydrophobicContact CE2-CD1 3.88Å; F226-L232 HydrophobicContact CG-CB 4.18Å; E228-L232 PolarHBondContact O-N 3.18Å; K229-L232 PolarHBondContact O-N 3.38Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 3.31Å; L232-H235 CarbonylContact O-C 3.33Å; L232-H235 WeakPolarHBondContact O-CA 3.48Å; L232-H235 WeakPolarHBondContact O-CB 3.27Å; L232-H235 PolarHBondContact O-N 3.32Å; L232-H235 VanDerWaalsContact O-N 3.07Å; L232-R236 HydrophobicContact CD1-CG 4.18Å; L232-R236 HydrophobicContact CG-CG 4.41Å; L232-R236 WeakPolarHBondContact O-CG 3.43Å; L232-R236 PolarHBondContact O-N 3.35Å
233	Q	91.8	Very high	91.3	Very high	89 Å²	89	74 Å²	74	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-60.8	-42.1	179.7	-176.4	61.8	11.7	0	0	112.2	K229 C230 S231 H235 R236	K229-Q233 PolarHBondContact O-N 3.46Å; C230-Q233 WeakPolarHBondContact O-CB 3.47Å; C230-Q233 PolarHBondContact O-N 3.15Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.18Å; Q233-H235 VanDerWaalsContact C-N 3.32Å; Q233-R236 PolarHBondContact O-N 3.42Å
234	T	90.5	Very high	91.3	Very high	47 Å²	47	68.9 Å²	68.9	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-33	174.2	60.8	0	0	0	0	112.6	C230 S231 L232 R237	C230-T234 WeakPolarHBondContact O-CG2 3.46Å; C230-T234 PolarHBondContact O-N 3.44Å; C230-T234 PolarHBondContact O-OG1 3.03Å; S231-T234 PolarHBondContact O-N 3.28Å; S231-T234 PolarHBondContact O-OG1 3.13Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 3.31Å; T234-R237 WeakPolarHBondContact O-CB 3.34Å
235	H	92.7	Very high	91.3	Very high	18 Å²	18	66.6 Å²	66.6	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-70.5	-39	175.5	166.1	55.9	0	0	0	112.4	C222 F226 S231 L232 Q233 R237 T238 H239	C222-H235 PolarHBondContact SG-NE2 3.16Å; F226-H235 HydrophobicContact CE1-CB 3.89Å; F226-H235 HydrophobicContact CE2-CB 3.83Å; F226-H235 AromaticContact CE2-CD2 3.17Å; F226-H235 WeakPolarHBondContact CE2-CD2 3.38Å; F226-H235 AromaticContact CE2-CG 3.61Å; F226-H235 AromaticContact CE2-NE2 3.97Å; F226-H235 HydrophobicContact CZ-CB 3.36Å; F226-H235 AromaticContact CZ-CD2 3.28Å; F226-H235 WeakPolarHBondContact CZ-CD2 3.47Å; F226-H235 AromaticContact CZ-CG 3.22Å; F226-H235 AromaticContact CZ-ND1 3.97Å; F226-H235 AromaticContact CZ-NE2 4Å; S231-H235 WeakPolarHBondContact O-CB 3.39Å; S231-H235 PolarHBondContact O-N 3.31Å; L232-H235 CarbonylContact O-C 3.33Å; L232-H235 WeakPolarHBondContact O-CA 3.48Å; L232-H235 WeakPolarHBondContact O-CB 3.27Å; L232-H235 PolarHBondContact O-N 3.32Å; L232-H235 VanDerWaalsContact O-N 3.07Å; Q233-H235 VanDerWaalsContact C-N 3.32Å; H235-R237 PolarHBondContact O-N 3.28Å; H235-T238 PolarHBondContact CE1-OG1 3.45Å; H235-T238 PolarHBondContact ND1-OG1 3.15Å; H235-T238 WeakPolarHBondContact O-CB 3.27Å; H235-T238 WeakPolarHBondContact O-CG2 3.31Å; H235-T238 PolarHBondContact O-N 3.32Å; H235-T238 PolarHBondContact O-OG1 3.09Å; H235-H239 AromaticContact CE1-CD2 3.97Å; H235-H239 AromaticContact CE1-NE2 3.38Å; H235-H239 PolarHBondContact CE1-NE2 3.44Å; H235-H239 AromaticContact NE2-CD2 3.94Å; H235-H239 AromaticContact NE2-NE2 3.33Å; H235-H239 PolarHBondContact NE2-NE2 2.83Å
236	R	90.7	Very high	91.3	Very high	95 Å²	95	73.4 Å²	73.4	36%	0.358	38%	0.376	S	S	.	.	H	α-helix	trans	-54.1	-31.2	177.4	-74.3	179.9	68.8	-116	-4.3	112.6	L232 Q233 T238 H239 T240	L232-R236 HydrophobicContact CD1-CG 4.18Å; L232-R236 HydrophobicContact CG-CG 4.41Å; L232-R236 WeakPolarHBondContact O-CG 3.43Å; L232-R236 PolarHBondContact O-N 3.35Å; Q233-R236 PolarHBondContact O-N 3.42Å; R236-T238 PolarHBondContact O-N 3.27Å; R236-T238 VanDerWaalsContact O-N 3.16Å; R236-H239 PolarHBondContact O-N 3.12Å; R236-T240 PolarHBondContact O-N 3.17Å
237	R	92.4	Very high	91.4	Very high	40 Å²	40	72 Å²	72	15%	0.151	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-21.3	173.3	-60.9	178.5	178.2	163	0.2	113.9	T234 H235 H239 T240 G241 E242 S255	T234-R237 WeakPolarHBondContact O-CB 3.34Å; H235-R237 PolarHBondContact O-N 3.28Å; R237-H239 VanDerWaalsContact C-N 3.31Å; R237-T240 WeakPolarHBondContact CA-OG1 3.42Å; R237-G241 WeakPolarHBondContact O-CA 3.37Å; R237-G241 PolarHBondContact O-N 3.03Å; R237-E242 HydrophobicContact CB-CB 4.47Å; R237-E242 HydrophobicContact CG-CB 4.32Å; R237-E242 PolarHBondContact O-N 2.83Å; R237-S255 WeakPolarHBondContact CD-O 3.46Å; R237-S255 PolarHBondContact NH1-O 3.36Å
238	T	91.6	Very high	91.4	Very high	91 Å²	91	76.5 Å²	76.5	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-73.2	-25.5	174.8	67.8	0	0	0	0	112.7	H235 R236	H235-T238 PolarHBondContact CE1-OG1 3.45Å; H235-T238 PolarHBondContact ND1-OG1 3.15Å; H235-T238 WeakPolarHBondContact O-CB 3.27Å; H235-T238 WeakPolarHBondContact O-CG2 3.31Å; H235-T238 PolarHBondContact O-N 3.32Å; H235-T238 PolarHBondContact O-OG1 3.09Å; R236-T238 PolarHBondContact O-N 3.27Å; R236-T238 VanDerWaalsContact O-N 3.16Å
239	H	92.5	Very high	91.5	Very high	73 Å²	73	78.2 Å²	78.2	34%	0.338	40%	0.4	S	S	.	.	H	α-helix	trans	-88.8	-42.1	175.7	-62.9	-75.6	0	0	0	112.1	C222 H235 R236 R237 G241	C222-H239 PolarHBondContact SG-NE2 3.43Å; C222-H239 VanDerWaalsContact SG-NE2 3.41Å; H235-H239 AromaticContact CE1-CD2 3.97Å; H235-H239 AromaticContact CE1-NE2 3.38Å; H235-H239 PolarHBondContact CE1-NE2 3.44Å; H235-H239 AromaticContact NE2-CD2 3.94Å; H235-H239 AromaticContact NE2-NE2 3.33Å; H235-H239 PolarHBondContact NE2-NE2 2.83Å; R236-H239 PolarHBondContact O-N 3.12Å; R237-H239 VanDerWaalsContact C-N 3.31Å; H239-G241 PolarHBondContact O-N 3.17Å
240	T	90.9	Very high	91.6	Very high	68 Å²	68	72.7 Å²	72.7	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-74.6	-18.1	178.3	62.3	0	0	0	0	112.7	R236 R237 E242	R236-T240 PolarHBondContact O-N 3.17Å; R237-T240 WeakPolarHBondContact CA-OG1 3.42Å; T240-E242 PolarHBondContact O-N 3.29Å; T240-E242 WeakPolarHBondContact OG1-CB 3.27Å; T240-E242 WeakPolarHBondContact OG1-CG 3.42Å; T240-E242 PolarHBondContact OG1-N 3.21Å
241	G	89.6	Confident	91.8	Very high	47 Å²	47	77.4 Å²	77.4	49%	0.485	40%	0.401	S	S	.	.			trans	71.8	4.4	-173.1	0	0	0	0	0	113.7	R237 H239 K243	R237-G241 WeakPolarHBondContact O-CA 3.37Å; R237-G241 PolarHBondContact O-N 3.03Å; H239-G241 PolarHBondContact O-N 3.17Å; G241-K243 PolarHBondContact O-N 3.47Å
242	E	91.8	Very high	92	Very high	105 Å²	105	81.4 Å²	81.4	49%	0.491	41%	0.414	S	S	.	.			trans	-58.5	129.2	-178.6	-79.2	176.9	-169.1	0	0	111.9	R237 T240	R237-E242 HydrophobicContact CB-CB 4.47Å; R237-E242 HydrophobicContact CG-CB 4.32Å; R237-E242 PolarHBondContact O-N 2.83Å; T240-E242 PolarHBondContact O-N 3.29Å; T240-E242 WeakPolarHBondContact OG1-CB 3.27Å; T240-E242 WeakPolarHBondContact OG1-CG 3.42Å; T240-E242 PolarHBondContact OG1-N 3.21Å
243	K	92.9	Very high	92	Very high	119 Å²	119	81.4 Å²	81.4	52%	0.517	42%	0.417	S	S	.	.			trans	-128	76.9	178.1	-73	163.5	170.8	-174.3	0	109.9	G241 Y245 A253 F254	G241-K243 PolarHBondContact O-N 3.47Å; K243-Y245 PolarHBondContact O-N 2.94Å; K243-A253 HydrophobicContact CB-CB 3.53Å; K243-A253 HydrophobicContact CD-CB 4.28Å; K243-A253 VanDerWaalsContact CD-O 3.28Å; K243-A253 WeakPolarHBondContact CD-O 3.34Å; K243-A253 HydrophobicContact CG-CB 4.46Å; K243-F254 CarbonylContact C-O 3.56Å; K243-F254 VanDerWaalsContact C-O 3.31Å; K243-F254 WeakPolarHBondContact CA-O 3.43Å
244	P	91.2	Very high	92.1	Very high	67 Å²	67	79.3 Å²	79.3	44%	0.435	41%	0.406	S	S	.	.			trans	-64.1	-23.6	-173.4	-23	35.1	0	0	0	113.8	K246	P244-K246 PolarHBondContact O-N 2.79Å
245	Y	94.4	Very high	92.2	Very high	75 Å²	75	78.5 Å²	78.5	29%	0.294	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	92.8	-174	-51.2	-73.7	0	0	0	110.2	K243 A253 F254 Y257	K243-Y245 PolarHBondContact O-N 2.94Å; Y245-A253 CarbonylContact O-C 3.57Å; Y245-A253 WeakPolarHBondContact O-CA 3.46Å; Y245-F254 WeakPolarHBondContact CD2-O 3.21Å; Y245-F254 PolarHBondContact N-O 3.27Å; Y245-F254 VanDerWaalsContact N-O 3.15Å; Y245-F254 PolarHBondContact O-N 3.33Å; Y245-Y257 AromaticContact CD1-CD2 3.9Å; Y245-Y257 HydrophobicContact CD1-CD2 3.9Å; Y245-Y257 HydrophobicContact CD1-CG 4.47Å; Y245-Y257 VanDerWaalsContact CD2-N 3.34Å; Y245-Y257 HydrophobicContact CE1-CD2 4.17Å; Y245-Y257 HydrophobicContact CE1-CG 4.48Å; Y245-Y257 VanDerWaalsContact CE2-N 3.33Å
246	K	92.8	Very high	92	Very high	166 Å²	166	80.8 Å²	80.8	72%	0.722	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	141.4	178.1	-59	-175.8	-179.6	-179.7	0	111.1	P244 A253	P244-K246 PolarHBondContact O-N 2.79Å; K246-A253 HydrophobicContact CB-CB 4.46Å; K246-A253 HydrophobicContact CG-CB 3.94Å
247	C	93.4	Very high	92.1	Very high	12 Å²	12	82.8 Å²	82.8	8%	0.081	42%	0.422	C	S	.	.			trans	-75.6	139.3	166.3	-169.2	0	0	0	0	109.2	K252 L260 H267	C247-K252 VanDerWaalsContact CB-O 3.29Å; C247-K252 WeakPolarHBondContact CB-O 3.3Å; C247-K252 PolarHBondContact N-O 3.34Å; C247-L260 HydrophobicContact CB-CD1 3.88Å; C247-H267 PolarHBondContact SG-NE2 3.33Å
248	N	90.9	Very high	92	Very high	129 Å²	129	83.7 Å²	83.7	69%	0.69	43%	0.434	S	S	*	.	S	Bend	trans	-86.3	-11.2	177.1	63	-24.5	0	0	0	113.1
249	Q	90	Very high	92	Very high	110 Å²	110	83.4 Å²	83.4	51%	0.514	43%	0.427	S	S	.	.	S	Bend	trans	-107.7	-5.5	-177.9	-69.5	172.1	-8.6	0	0	113.1	H267	Q249-H267 PolarHBondContact OE1-CD2 3.39Å
250	C	93.2	Very high	92	Very high	38 Å²	38	80.7 Å²	80.7	26%	0.257	41%	0.414	S	S	.	.	S	Bend	trans	-160.9	170.1	170.4	68	0	0	0	0	111.6	K252 H263 H267	C250-K252 PolarHBondContact O-N 2.77Å; C250-H263 PolarHBondContact SG-NE2 3.03Å; C250-H267 VanDerWaalsContact SG-CE1 3.58Å; C250-H267 PolarHBondContact SG-NE2 3.03Å; C250-H267 VanDerWaalsContact SG-NE2 3.36Å
251	D	91.9	Very high	92	Very high	174 Å²	174	80.9 Å²	80.9	93%	0.93	41%	0.411	S	S	*	.	S	Bend	trans	-72.1	8.1	-176.8	-51.7	-48.6	0	0	0	114.8
252	K	94.2	Very high	92	Very high	123 Å²	123	80.9 Å²	80.9	54%	0.535	40%	0.399	S	S	.	.			trans	-78.7	131.4	-179.2	-68.9	173.7	-176.1	-78.2	0	110.5	C247 C250 F254 H263	C247-K252 VanDerWaalsContact CB-O 3.29Å; C247-K252 WeakPolarHBondContact CB-O 3.3Å; C247-K252 PolarHBondContact N-O 3.34Å; C250-K252 PolarHBondContact O-N 2.77Å; K252-F254 HydrophobicContact CB-CE2 3.88Å; K252-F254 HydrophobicContact CB-CZ 4.02Å; K252-H263 VanDerWaalsContact CD-CE1 3.48Å; K252-H263 WeakPolarHBondContact CD-CE1 3.22Å
253	A	93.7	Very high	92	Very high	24 Å²	24	77 Å²	77	20%	0.198	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.3	172.4	0	0	0	0	0	111.3	K243 Y245 K246	K243-A253 HydrophobicContact CB-CB 3.53Å; K243-A253 HydrophobicContact CD-CB 4.28Å; K243-A253 VanDerWaalsContact CD-O 3.28Å; K243-A253 WeakPolarHBondContact CD-O 3.34Å; K243-A253 HydrophobicContact CG-CB 4.46Å; Y245-A253 CarbonylContact O-C 3.57Å; Y245-A253 WeakPolarHBondContact O-CA 3.46Å; K246-A253 HydrophobicContact CB-CB 4.46Å; K246-A253 HydrophobicContact CG-CB 3.94Å
254	F	92.9	Very high	91.9	Very high	44 Å²	44	76.4 Å²	76.4	19%	0.193	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.5	-173.1	-57.7	-94.1	0	0	0	111.2	K243 Y245 K252 Q256 H259 L260 H263	K243-F254 CarbonylContact C-O 3.56Å; K243-F254 VanDerWaalsContact C-O 3.31Å; K243-F254 WeakPolarHBondContact CA-O 3.43Å; Y245-F254 WeakPolarHBondContact CD2-O 3.21Å; Y245-F254 PolarHBondContact N-O 3.27Å; Y245-F254 VanDerWaalsContact N-O 3.15Å; Y245-F254 PolarHBondContact O-N 3.33Å; K252-F254 HydrophobicContact CB-CE2 3.88Å; K252-F254 HydrophobicContact CB-CZ 4.02Å; F254-Q256 VanDerWaalsContact C-N 3.31Å; F254-H259 HydrophobicContact CB-CB 4.26Å; F254-H259 HydrophobicContact CD1-CB 3.81Å; F254-H259 HydrophobicContact CG-CB 4.29Å; F254-L260 HydrophobicContact CB-CB 4.22Å; F254-L260 HydrophobicContact CD2-CB 3.77Å; F254-L260 HydrophobicContact CD2-CD1 3.71Å; F254-L260 HydrophobicContact CD2-CG 4.34Å; F254-L260 HydrophobicContact CE2-CD1 3.87Å; F254-L260 HydrophobicContact CG-CB 4.14Å; F254-H263 HydrophobicContact CE1-CB 3.94Å; F254-H263 HydrophobicContact CE2-CB 3.83Å; F254-H263 AromaticContact CE2-CD2 3.2Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.47Å; F254-H263 AromaticContact CE2-CG 3.61Å; F254-H263 AromaticContact CE2-NE2 4Å; F254-H263 HydrophobicContact CZ-CB 3.37Å; F254-H263 AromaticContact CZ-CD2 3.33Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.04Å; F254-H263 AromaticContact CZ-CG 3.23Å; F254-H263 AromaticContact CZ-ND1 3.98Å
255	S	92	Very high	91.9	Very high	30 Å²	30	75.9 Å²	75.9	21%	0.21	36%	0.364	C	S	.	.	S	Bend	trans	-78.6	-15.7	175.8	57.1	0	0	0	0	113.2	R237	R237-S255 WeakPolarHBondContact CD-O 3.46Å; R237-S255 PolarHBondContact NH1-O 3.36Å
256	Q	90.3	Very high	91.7	Very high	67 Å²	67	76.5 Å²	76.5	31%	0.313	38%	0.376	S	S	.	.	S	Bend	trans	-133.8	141.6	179.4	-60.3	-176.7	22	0	0	110.8	F254 H259 L260	F254-Q256 VanDerWaalsContact C-N 3.31Å; Q256-H259 PolarHBondContact O-N 3.41Å; Q256-L260 PolarHBondContact O-N 2.83Å
257	Y	91.9	Very high	91.6	Very high	137 Å²	137	72 Å²	72	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-39.4	-177.9	179.8	-97	0	0	0	112.7	Y245 H259 L260 H261	Y245-Y257 AromaticContact CD1-CD2 3.9Å; Y245-Y257 HydrophobicContact CD1-CD2 3.9Å; Y245-Y257 HydrophobicContact CD1-CG 4.47Å; Y245-Y257 VanDerWaalsContact CD2-N 3.34Å; Y245-Y257 HydrophobicContact CE1-CD2 4.17Å; Y245-Y257 HydrophobicContact CE1-CG 4.48Å; Y245-Y257 VanDerWaalsContact CE2-N 3.33Å; Y257-H259 VanDerWaalsContact C-N 3.27Å; Y257-H259 PolarHBondContact O-N 3.35Å; Y257-L260 WeakPolarHBondContact O-CB 3.4Å; Y257-L260 PolarHBondContact O-N 3.02Å; Y257-L260 VanDerWaalsContact O-N 3.11Å; Y257-H261 HydrophobicContact CE1-CB 4.44Å; Y257-H261 PolarHBondContact O-N 2.82Å
258	S	89.5	Confident	91.4	Very high	58 Å²	58	74.9 Å²	74.9	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-56.5	-40.4	176.8	52.2	0	0	0	0	112.3	H261 I262	S258-H261 PolarHBondContact O-N 3.39Å; S258-I262 WeakPolarHBondContact O-CG1 3.28Å; S258-I262 PolarHBondContact O-N 2.83Å
259	H	92.5	Very high	91.2	Very high	86 Å²	86	71.2 Å²	71.2	40%	0.398	37%	0.368	S	S	.	.	H	α-helix	trans	-67.6	-40.1	176.6	-62.3	163.3	0	0	0	112.2	F254 Q256 Y257 H263	F254-H259 HydrophobicContact CB-CB 4.26Å; F254-H259 HydrophobicContact CD1-CB 3.81Å; F254-H259 HydrophobicContact CG-CB 4.29Å; Q256-H259 PolarHBondContact O-N 3.41Å; Y257-H259 VanDerWaalsContact C-N 3.27Å; Y257-H259 PolarHBondContact O-N 3.35Å; H259-H263 VanDerWaalsContact O-CB 3.3Å; H259-H263 WeakPolarHBondContact O-CB 3.31Å; H259-H263 PolarHBondContact O-N 2.94Å
260	L	92.2	Very high	91.1	Very high	15 Å²	15	71.4 Å²	71.4	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-44.8	171.6	172.8	63.6	0	0	0	110.8	C247 F254 Q256 Y257 I262 H263 R264	C247-L260 HydrophobicContact CB-CD1 3.88Å; F254-L260 HydrophobicContact CB-CB 4.22Å; F254-L260 HydrophobicContact CD2-CB 3.77Å; F254-L260 HydrophobicContact CD2-CD1 3.71Å; F254-L260 HydrophobicContact CD2-CG 4.34Å; F254-L260 HydrophobicContact CE2-CD1 3.87Å; F254-L260 HydrophobicContact CG-CB 4.14Å; Q256-L260 PolarHBondContact O-N 2.83Å; Y257-L260 WeakPolarHBondContact O-CB 3.4Å; Y257-L260 PolarHBondContact O-N 3.02Å; Y257-L260 VanDerWaalsContact O-N 3.11Å; L260-I262 PolarHBondContact O-N 3.08Å; L260-H263 CarbonylContact O-C 3.58Å; L260-H263 WeakPolarHBondContact O-CA 3.38Å; L260-H263 WeakPolarHBondContact O-CB 3.4Å; L260-H263 PolarHBondContact O-N 3.36Å; L260-H263 VanDerWaalsContact O-N 3.11Å; L260-R264 HydrophobicContact CD1-CG 4.28Å; L260-R264 WeakPolarHBondContact O-CG 3.43Å; L260-R264 PolarHBondContact O-N 3.41Å
261	H	91	Very high	90.9	Very high	73 Å²	73	74.7 Å²	74.7	34%	0.338	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-45.3	-179.7	-179.1	76.7	0	0	0	112	Y257 S258 H263 R264 R265	Y257-H261 HydrophobicContact CE1-CB 4.44Å; Y257-H261 PolarHBondContact O-N 2.82Å; S258-H261 PolarHBondContact O-N 3.39Å; H261-H263 VanDerWaalsContact C-N 3.33Å; H261-R264 PolarHBondContact O-N 2.84Å; H261-R265 PolarHBondContact NE2-NH2 3.23Å
262	I	89.5	Confident	90.7	Very high	47 Å²	47	70.2 Å²	70.2	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-39.4	174	-64.2	165.1	0	0	0	110.7	S258 L260 R264 R265 N284	S258-I262 WeakPolarHBondContact O-CG1 3.28Å; S258-I262 PolarHBondContact O-N 2.83Å; L260-I262 PolarHBondContact O-N 3.08Å; I262-R264 PolarHBondContact O-N 2.93Å; I262-R265 VanDerWaalsContact O-CB 3.29Å; I262-R265 WeakPolarHBondContact O-CB 3.43Å; I262-R265 PolarHBondContact O-N 2.97Å; I262-N284 HydrophobicContact CG2-CB 4.02Å
263	H	91.9	Very high	90.5	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-63.2	-38.6	176.8	167.2	54.9	0	0	0	112.8	C250 K252 F254 H259 L260 H261 R265 T266 H267	C250-H263 PolarHBondContact SG-NE2 3.03Å; K252-H263 VanDerWaalsContact CD-CE1 3.48Å; K252-H263 WeakPolarHBondContact CD-CE1 3.22Å; F254-H263 HydrophobicContact CE1-CB 3.94Å; F254-H263 HydrophobicContact CE2-CB 3.83Å; F254-H263 AromaticContact CE2-CD2 3.2Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.47Å; F254-H263 AromaticContact CE2-CG 3.61Å; F254-H263 AromaticContact CE2-NE2 4Å; F254-H263 HydrophobicContact CZ-CB 3.37Å; F254-H263 AromaticContact CZ-CD2 3.33Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.04Å; F254-H263 AromaticContact CZ-CG 3.23Å; F254-H263 AromaticContact CZ-ND1 3.98Å; H259-H263 VanDerWaalsContact O-CB 3.3Å; H259-H263 WeakPolarHBondContact O-CB 3.31Å; H259-H263 PolarHBondContact O-N 2.94Å; L260-H263 CarbonylContact O-C 3.58Å; L260-H263 WeakPolarHBondContact O-CA 3.38Å; L260-H263 WeakPolarHBondContact O-CB 3.4Å; L260-H263 PolarHBondContact O-N 3.36Å; L260-H263 VanDerWaalsContact O-N 3.11Å; H261-H263 VanDerWaalsContact C-N 3.33Å; H263-R265 PolarHBondContact O-N 3.45Å; H263-T266 PolarHBondContact CE1-OG1 3.23Å; H263-T266 PolarHBondContact ND1-OG1 3.4Å; H263-T266 VanDerWaalsContact ND1-OG1 3.15Å; H263-T266 WeakPolarHBondContact O-CB 3.49Å; H263-T266 WeakPolarHBondContact O-CG2 3.42Å; H263-T266 PolarHBondContact O-N 3.19Å; H263-T266 PolarHBondContact O-OG1 3.12Å; H263-H267 AromaticContact CE1-NE2 3.48Å; H263-H267 PolarHBondContact CE1-NE2 2.76Å; H263-H267 AromaticContact NE2-CD2 3.99Å; H263-H267 AromaticContact NE2-NE2 3.29Å; H263-H267 PolarHBondContact NE2-NE2 2.78Å
264	R	90	Very high	90.4	Very high	107 Å²	107	71.1 Å²	71.1	40%	0.404	36%	0.361	S	S	.	.	H	α-helix	trans	-55.2	-29.7	177.9	-74.9	179.3	65.9	-137.7	-4.3	112.8	L260 H261 I262 T266 H267 T268	L260-R264 HydrophobicContact CD1-CG 4.28Å; L260-R264 WeakPolarHBondContact O-CG 3.43Å; L260-R264 PolarHBondContact O-N 3.41Å; H261-R264 PolarHBondContact O-N 2.84Å; I262-R264 PolarHBondContact O-N 2.93Å; R264-T266 PolarHBondContact O-N 3.2Å; R264-H267 PolarHBondContact O-N 2.97Å; R264-T268 PolarHBondContact O-N 3.5Å
265	R	91.4	Very high	90.3	Very high	56 Å²	56	69.1 Å²	69.1	21%	0.211	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-21.8	173.7	-58.5	179.3	-177.2	-177.5	-5.1	113.7	H261 I262 H263 H267 T268 G269 E270 S283	H261-R265 PolarHBondContact NE2-NH2 3.23Å; I262-R265 VanDerWaalsContact O-CB 3.29Å; I262-R265 WeakPolarHBondContact O-CB 3.43Å; I262-R265 PolarHBondContact O-N 2.97Å; H263-R265 PolarHBondContact O-N 3.45Å; R265-H267 VanDerWaalsContact C-N 3.27Å; R265-H267 PolarHBondContact O-N 2.93Å; R265-T268 WeakPolarHBondContact CA-OG1 3.34Å; R265-G269 CarbonylContact O-C 3.31Å; R265-G269 WeakPolarHBondContact O-CA 3.41Å; R265-G269 PolarHBondContact O-N 3.01Å; R265-E270 PolarHBondContact O-N 3.19Å; R265-S283 WeakPolarHBondContact CD-O 3.41Å; R265-S283 PolarHBondContact NH1-O 3.01Å
266	T	90.1	Very high	90.2	Very high	89 Å²	89	75.6 Å²	75.6	55%	0.546	38%	0.384	S	S	.	.	H	α-helix	trans	-72.6	-22.2	174.5	68.4	0	0	0	0	112.9	H263 R264	H263-T266 PolarHBondContact CE1-OG1 3.23Å; H263-T266 PolarHBondContact ND1-OG1 3.4Å; H263-T266 VanDerWaalsContact ND1-OG1 3.15Å; H263-T266 WeakPolarHBondContact O-CB 3.49Å; H263-T266 WeakPolarHBondContact O-CG2 3.42Å; H263-T266 PolarHBondContact O-N 3.19Å; H263-T266 PolarHBondContact O-OG1 3.12Å; R264-T266 PolarHBondContact O-N 3.2Å
267	H	91	Very high	90.1	Very high	70 Å²	70	77.5 Å²	77.5	32%	0.324	39%	0.393	S	S	.	.	H	α-helix	trans	-88.9	-39.6	175.5	-63.5	-69	0	0	0	112.3	C247 Q249 C250 H263 R264 R265 G269	C247-H267 PolarHBondContact SG-NE2 3.33Å; Q249-H267 PolarHBondContact OE1-CD2 3.39Å; C250-H267 VanDerWaalsContact SG-CE1 3.58Å; C250-H267 PolarHBondContact SG-NE2 3.03Å; C250-H267 VanDerWaalsContact SG-NE2 3.36Å; H263-H267 AromaticContact CE1-NE2 3.48Å; H263-H267 PolarHBondContact CE1-NE2 2.76Å; H263-H267 AromaticContact NE2-CD2 3.99Å; H263-H267 AromaticContact NE2-NE2 3.29Å; H263-H267 PolarHBondContact NE2-NE2 2.78Å; R264-H267 PolarHBondContact O-N 2.97Å; R265-H267 VanDerWaalsContact C-N 3.27Å; R265-H267 PolarHBondContact O-N 2.93Å; H267-G269 VanDerWaalsContact C-N 3.26Å; H267-G269 PolarHBondContact O-N 3.03Å
268	T	89.1	Confident	90.1	Very high	73 Å²	73	72.7 Å²	72.7	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-75.5	-19	176.2	61.2	0	0	0	0	112.4	R264 R265 E270	R264-T268 PolarHBondContact O-N 3.5Å; R265-T268 WeakPolarHBondContact CA-OG1 3.34Å; T268-E270 PolarHBondContact O-N 3.2Å; T268-E270 WeakPolarHBondContact OG1-CB 3.32Å; T268-E270 WeakPolarHBondContact OG1-CG 3.41Å; T268-E270 PolarHBondContact OG1-N 3.06Å
269	G	86.4	Confident	90.1	Very high	52 Å²	52	76.1 Å²	76.1	54%	0.536	39%	0.393	S	S	.	.			trans	73.6	0.5	-172.7	0	0	0	0	0	113.4	R265 H267 K271	R265-G269 CarbonylContact O-C 3.31Å; R265-G269 WeakPolarHBondContact O-CA 3.41Å; R265-G269 PolarHBondContact O-N 3.01Å; H267-G269 VanDerWaalsContact C-N 3.26Å; H267-G269 PolarHBondContact O-N 3.03Å; G269-K271 PolarHBondContact O-N 3.36Å
270	E	88.2	Confident	90.1	Very high	115 Å²	115	77.1 Å²	77.1	54%	0.537	40%	0.398	S	S	.	.			trans	-62.1	126.6	-177.9	-73.2	175	172.5	0	0	111.5	R265 T268	R265-E270 PolarHBondContact O-N 3.19Å; T268-E270 PolarHBondContact O-N 3.2Å; T268-E270 WeakPolarHBondContact OG1-CB 3.32Å; T268-E270 WeakPolarHBondContact OG1-CG 3.41Å; T268-E270 PolarHBondContact OG1-N 3.06Å
271	K	89.6	Confident	90.1	Very high	106 Å²	106	78.7 Å²	78.7	46%	0.461	41%	0.408	S	S	.	.			trans	-128.3	76.2	176.2	-70.2	169.1	165.2	-160.9	0	109.2	G269 L273 T281 F282	G269-K271 PolarHBondContact O-N 3.36Å; K271-L273 PolarHBondContact O-N 3.2Å; K271-T281 WeakPolarHBondContact CB-OG1 3.38Å; K271-T281 WeakPolarHBondContact CD-O 3.48Å; K271-T281 VanDerWaalsContact CD-OG1 3.32Å; K271-T281 WeakPolarHBondContact CD-OG1 3.38Å; K271-T281 WeakPolarHBondContact O-CB 3.34Å; K271-F282 CarbonylContact C-O 3.31Å; K271-F282 WeakPolarHBondContact CA-O 3.41Å
272	P	88.3	Confident	90.2	Very high	80 Å²	80	76.6 Å²	76.6	52%	0.519	40%	0.398	S	S	.	.			trans	-65.2	-16.6	-169.9	-21.5	33.7	0	0	0	114.3
273	L	90	Very high	90.2	Very high	52 Å²	52	75.7 Å²	75.7	27%	0.272	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	97.9	-171.4	-55.1	174.6	0	0	0	109.3	K271 T281 F282 H285 L288	K271-L273 PolarHBondContact O-N 3.2Å; L273-T281 CarbonylContact O-C 3.55Å; L273-T281 WeakPolarHBondContact O-CA 3.32Å; L273-F282 HydrophobicContact CB-CB 4.4Å; L273-F282 WeakPolarHBondContact CB-O 3.32Å; L273-F282 PolarHBondContact N-O 3.49Å; L273-F282 PolarHBondContact O-N 3.47Å; L273-H285 VanDerWaalsContact CD1-CA 3.49Å; L273-H285 HydrophobicContact CD1-CB 4Å; L273-L288 HydrophobicContact CB-CD2 3.96Å
274	K	89.9	Confident	90.1	Very high	114 Å²	114	76.7 Å²	76.7	50%	0.496	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	143.6	176.2	-172.1	175.8	177.9	172.7	0	110.9	D279 T281	K274-D279 IonicContact NZ-OD1 3.77Å; K274-D279 PolarHBondContact NZ-OD1 3.28Å; K274-T281 HydrophobicContact CB-CG2 4.1Å; K274-T281 HydrophobicContact CG-CG2 4.09Å
275	C	92.3	Very high	90.1	Very high	2 Å²	2	77 Å²	77	1%	0.014	41%	0.408	C	S	.	.			trans	-77.1	136.2	166.4	-167.1	0	0	0	0	110	E277 C278 E280 F282 L288 H291 H295	C275-E277 PolarHBondContact O-N 3.16Å; C275-C278 CarbonylContact C-O 3.58Å; C275-E280 PolarHBondContact N-O 2.98Å; C275-F282 HydrophobicContact CB-CE2 4.46Å; C275-L288 HydrophobicContact CB-CD1 3.93Å; C275-H291 VanDerWaalsContact SG-CD2 3.58Å; C275-H291 PolarHBondContact SG-NE2 3.43Å; C275-H295 PolarHBondContact SG-NE2 3.5Å
276	N	89.5	Confident	90	Very high	166 Å²	166	77.7 Å²	77.7	89%	0.888	42%	0.422	S	S	*	.	S	Bend	trans	-74.9	-16.9	179.8	-65.4	-12.1	0	0	0	112.8
277	E	87.3	Confident	90.1	Very high	107 Å²	107	77.3 Å²	77.3	50%	0.5	42%	0.416	S	S	.	.	S	Bend	trans	-107.2	-6.4	-173	-61.2	177.6	-127.6	0	0	112.9	C275 H295	C275-E277 PolarHBondContact O-N 3.16Å; E277-H295 WeakPolarHBondContact OE2-CB 3.44Å; E277-H295 IonicContact OE2-CG 3.55Å; E277-H295 IonicContact OE2-ND1 3.44Å
278	C	91.9	Very high	90.1	Very high	36 Å²	36	75 Å²	75	24%	0.243	41%	0.406	C	S	.	.	S	Bend	trans	-157.3	170.5	171.3	67.1	0	0	0	0	111.8	C275 E280 H291 H295	C275-C278 CarbonylContact C-O 3.58Å; C278-E280 PolarHBondContact O-N 2.94Å; C278-H291 PolarHBondContact SG-CE1 3.17Å; C278-H291 PolarHBondContact SG-NE2 2.83Å; C278-H295 PolarHBondContact SG-NE2 2.94Å
279	D	90.5	Very high	90.3	Very high	131 Å²	131	74.8 Å²	74.8	70%	0.701	40%	0.4	S	S	*	.	S	Bend	trans	-78.7	6.1	-178.4	-65.5	-50.4	0	0	0	114.9	K274 T281	K274-D279 IonicContact NZ-OD1 3.77Å; K274-D279 PolarHBondContact NZ-OD1 3.28Å; D279-T281 PolarHBondContact O-N 3.5Å
280	E	92.5	Very high	90.5	Very high	106 Å²	106	74.2 Å²	74.2	50%	0.495	39%	0.386	S	S	.	.			trans	-68.8	132.2	176.9	-68.7	-65.4	124.3	0	0	111.4	C275 C278 F282	C275-E280 PolarHBondContact N-O 2.98Å; C278-E280 PolarHBondContact O-N 2.94Å; E280-F282 HydrophobicContact CB-CE2 3.76Å; E280-F282 HydrophobicContact CB-CZ 3.79Å
281	T	92.4	Very high	90.7	Very high	49 Å²	49	69.9 Å²	69.9	30%	0.301	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.4	178.5	54.2	0	0	0	0	110.6	K271 L273 K274 D279	K271-T281 WeakPolarHBondContact CB-OG1 3.38Å; K271-T281 WeakPolarHBondContact CD-O 3.48Å; K271-T281 VanDerWaalsContact CD-OG1 3.32Å; K271-T281 WeakPolarHBondContact CD-OG1 3.38Å; K271-T281 WeakPolarHBondContact O-CB 3.34Å; L273-T281 CarbonylContact O-C 3.55Å; L273-T281 WeakPolarHBondContact O-CA 3.32Å; K274-T281 HydrophobicContact CB-CG2 4.1Å; K274-T281 HydrophobicContact CG-CG2 4.09Å; D279-T281 PolarHBondContact O-N 3.5Å
282	F	91.4	Very high	90.8	Very high	29 Å²	29	69.5 Å²	69.5	13%	0.127	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.5	-173.9	-58.6	-88.1	0	0	0	111.9	K271 L273 C275 E280 N287 L288 H291	K271-F282 CarbonylContact C-O 3.31Å; K271-F282 WeakPolarHBondContact CA-O 3.41Å; L273-F282 HydrophobicContact CB-CB 4.4Å; L273-F282 WeakPolarHBondContact CB-O 3.32Å; L273-F282 PolarHBondContact N-O 3.49Å; L273-F282 PolarHBondContact O-N 3.47Å; C275-F282 HydrophobicContact CB-CE2 4.46Å; E280-F282 HydrophobicContact CB-CE2 3.76Å; E280-F282 HydrophobicContact CB-CZ 3.79Å; F282-N287 HydrophobicContact CB-CB 4.42Å; F282-N287 HydrophobicContact CD1-CB 3.85Å; F282-N287 HydrophobicContact CG-CB 4.46Å; F282-L288 HydrophobicContact CB-CB 4.06Å; F282-L288 HydrophobicContact CD2-CB 3.83Å; F282-L288 HydrophobicContact CD2-CD1 3.56Å; F282-L288 HydrophobicContact CD2-CG 4.27Å; F282-L288 HydrophobicContact CE2-CD1 3.8Å; F282-L288 HydrophobicContact CG-CB 3.99Å; F282-H291 HydrophobicContact CE1-CB 3.72Å; F282-H291 AromaticContact CE1-CG 3.98Å; F282-H291 HydrophobicContact CE2-CB 3.95Å; F282-H291 AromaticContact CE2-CD2 3.42Å; F282-H291 VanDerWaalsContact CE2-CD2 3.42Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.42Å; F282-H291 AromaticContact CE2-CG 3.58Å; F282-H291 AromaticContact CE2-NE2 3.9Å; F282-H291 HydrophobicContact CZ-CB 3.35Å; F282-H291 AromaticContact CZ-CD2 3.49Å; F282-H291 VanDerWaalsContact CZ-CD2 3.49Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.4Å; F282-H291 AromaticContact CZ-CE1 3.91Å; F282-H291 AromaticContact CZ-CG 3.11Å; F282-H291 AromaticContact CZ-ND1 3.43Å; F282-H291 WeakPolarHBondContact CZ-ND1 3.48Å; F282-H291 AromaticContact CZ-NE2 3.95Å
283	S	90.3	Very high	91	Very high	28 Å²	28	67.7 Å²	67.7	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	-81.4	-16.2	175.6	56.9	0	0	0	0	113.3	R265	R265-S283 WeakPolarHBondContact CD-O 3.41Å; R265-S283 PolarHBondContact NH1-O 3.01Å
284	N	89.3	Confident	91.1	Very high	42 Å²	42	71 Å²	71	23%	0.225	36%	0.361	C	S	.	.	S	Bend	trans	-142.3	142.3	-176.1	-175.1	18.6	0	0	0	111.9	I262 S286 N287 L288	I262-N284 HydrophobicContact CG2-CB 4.02Å; N284-S286 PolarHBondContact O-N 2.81Å; N284-N287 WeakPolarHBondContact O-CB 3.37Å; N284-N287 PolarHBondContact O-N 3.19Å; N284-N287 VanDerWaalsContact O-N 3.12Å; N284-L288 PolarHBondContact O-N 3.4Å
285	H	90.9	Very high	91.3	Very high	114 Å²	114	68.8 Å²	68.8	53%	0.528	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-40.6	-177.7	-178.8	-88.2	0	0	0	112.5	L273 N287 L288 Q289	L273-H285 VanDerWaalsContact CD1-CA 3.49Å; L273-H285 HydrophobicContact CD1-CB 4Å; H285-N287 PolarHBondContact O-N 2.95Å; H285-L288 PolarHBondContact O-N 2.84Å; H285-Q289 WeakPolarHBondContact O-CB 3.33Å; H285-Q289 PolarHBondContact O-N 3.3Å
286	S	89.1	Confident	91.2	Very high	71 Å²	71	71.7 Å²	71.7	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-34.1	177.5	-53	0	0	0	0	112.6	N284 T290	N284-S286 PolarHBondContact O-N 2.81Å; S286-T290 WeakPolarHBondContact O-CG2 3.34Å; S286-T290 PolarHBondContact O-N 3.46Å; S286-T290 PolarHBondContact O-OG1 3.46Å
287	N	91.3	Very high	91.2	Very high	80 Å²	80	66 Å²	66	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-72.7	-43.1	177.8	-66.3	15.7	0	0	0	110.7	F282 N284 H285 T290 H291	F282-N287 HydrophobicContact CB-CB 4.42Å; F282-N287 HydrophobicContact CD1-CB 3.85Å; F282-N287 HydrophobicContact CG-CB 4.46Å; N284-N287 WeakPolarHBondContact O-CB 3.37Å; N284-N287 PolarHBondContact O-N 3.19Å; N284-N287 VanDerWaalsContact O-N 3.12Å; H285-N287 PolarHBondContact O-N 2.95Å; N287-T290 WeakPolarHBondContact CA-OG1 3.36Å; N287-T290 PolarHBondContact O-N 3.39Å; N287-T290 PolarHBondContact O-OG1 3.25Å; N287-H291 WeakPolarHBondContact O-CB 3.49Å; N287-H291 PolarHBondContact O-N 3Å
288	L	92.5	Very high	91.4	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.11	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-46.9	172	174.4	61.5	0	0	0	111.2	L273 C275 F282 N284 H285 T290 H291 R292	L273-L288 HydrophobicContact CB-CD2 3.96Å; C275-L288 HydrophobicContact CB-CD1 3.93Å; F282-L288 HydrophobicContact CB-CB 4.06Å; F282-L288 HydrophobicContact CD2-CB 3.83Å; F282-L288 HydrophobicContact CD2-CD1 3.56Å; F282-L288 HydrophobicContact CD2-CG 4.27Å; F282-L288 HydrophobicContact CE2-CD1 3.8Å; F282-L288 HydrophobicContact CG-CB 3.99Å; N284-L288 PolarHBondContact O-N 3.4Å; H285-L288 PolarHBondContact O-N 2.84Å; L288-T290 VanDerWaalsContact C-N 3.32Å; L288-T290 PolarHBondContact O-N 3.46Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.47Å; L288-H291 WeakPolarHBondContact O-CB 3.48Å; L288-H291 PolarHBondContact O-N 3.16Å; L288-H291 VanDerWaalsContact O-N 3.08Å; L288-R292 HydrophobicContact CD1-CG 4.14Å; L288-R292 HydrophobicContact CG-CG 4.43Å; L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.48Å
289	Q	92	Very high	91.5	Very high	69 Å²	69	69.9 Å²	69.9	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-40.2	-179.3	-175.4	61	21.2	0	0	112.3	H285 H291	H285-Q289 WeakPolarHBondContact O-CB 3.33Å; H285-Q289 PolarHBondContact O-N 3.3Å; Q289-H291 VanDerWaalsContact C-N 3.35Å
290	T	91.8	Very high	91.6	Very high	41 Å²	41	67.1 Å²	67.1	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-71	-31.6	174.9	50.3	0	0	0	0	112.6	S286 N287 L288 R293	S286-T290 WeakPolarHBondContact O-CG2 3.34Å; S286-T290 PolarHBondContact O-N 3.46Å; S286-T290 PolarHBondContact O-OG1 3.46Å; N287-T290 WeakPolarHBondContact CA-OG1 3.36Å; N287-T290 PolarHBondContact O-N 3.39Å; N287-T290 PolarHBondContact O-OG1 3.25Å; L288-T290 VanDerWaalsContact C-N 3.32Å; L288-T290 PolarHBondContact O-N 3.46Å; T290-R293 WeakPolarHBondContact O-CB 3.49Å
291	H	92.9	Very high	91.8	Very high	24 Å²	24	65.9 Å²	65.9	11%	0.111	34%	0.343	C	S	.	.	H	α-helix	trans	-68.8	-41.4	173.7	162.7	84.6	0	0	0	112.5	C275 C278 F282 N287 L288 Q289 R293 I294 H295	C275-H291 VanDerWaalsContact SG-CD2 3.58Å; C275-H291 PolarHBondContact SG-NE2 3.43Å; C278-H291 PolarHBondContact SG-CE1 3.17Å; C278-H291 PolarHBondContact SG-NE2 2.83Å; F282-H291 HydrophobicContact CE1-CB 3.72Å; F282-H291 AromaticContact CE1-CG 3.98Å; F282-H291 HydrophobicContact CE2-CB 3.95Å; F282-H291 AromaticContact CE2-CD2 3.42Å; F282-H291 VanDerWaalsContact CE2-CD2 3.42Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.42Å; F282-H291 AromaticContact CE2-CG 3.58Å; F282-H291 AromaticContact CE2-NE2 3.9Å; F282-H291 HydrophobicContact CZ-CB 3.35Å; F282-H291 AromaticContact CZ-CD2 3.49Å; F282-H291 VanDerWaalsContact CZ-CD2 3.49Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.4Å; F282-H291 AromaticContact CZ-CE1 3.91Å; F282-H291 AromaticContact CZ-CG 3.11Å; F282-H291 AromaticContact CZ-ND1 3.43Å; F282-H291 WeakPolarHBondContact CZ-ND1 3.48Å; F282-H291 AromaticContact CZ-NE2 3.95Å; N287-H291 WeakPolarHBondContact O-CB 3.49Å; N287-H291 PolarHBondContact O-N 3Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.47Å; L288-H291 WeakPolarHBondContact O-CB 3.48Å; L288-H291 PolarHBondContact O-N 3.16Å; L288-H291 VanDerWaalsContact O-N 3.08Å; Q289-H291 VanDerWaalsContact C-N 3.35Å; H291-R293 PolarHBondContact O-N 3.24Å; H291-I294 VanDerWaalsContact O-CB 3.22Å; H291-I294 WeakPolarHBondContact O-CB 3.44Å; H291-I294 WeakPolarHBondContact O-CG1 3.31Å; H291-I294 PolarHBondContact O-N 2.62Å; H291-H295 AromaticContact CE1-NE2 3.78Å; H291-H295 AromaticContact NE2-CD2 3.88Å; H291-H295 AromaticContact NE2-NE2 3.31Å; H291-H295 PolarHBondContact NE2-NE2 3.34Å
292	R	90.9	Very high	91.9	Very high	98 Å²	98	71.2 Å²	71.2	37%	0.37	36%	0.363	S	S	.	.	H	α-helix	trans	-54.4	-28	178.1	-75.1	-173.5	69	-120.1	-5.5	113.4	L288 I294 H295 T296	L288-R292 HydrophobicContact CD1-CG 4.14Å; L288-R292 HydrophobicContact CG-CG 4.43Å; L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.48Å; R292-I294 PolarHBondContact O-N 2.8Å; R292-H295 PolarHBondContact O-N 2.96Å; R292-T296 PolarHBondContact O-N 3.11Å; R292-T296 VanDerWaalsContact O-N 3.12Å
293	R	93.3	Very high	92	Very high	42 Å²	42	70.4 Å²	70.4	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-19	174	-62.5	179.8	-178.2	164.4	1.1	114.1	T290 H291 T296 G297 E298 S311	T290-R293 WeakPolarHBondContact O-CB 3.49Å; H291-R293 PolarHBondContact O-N 3.24Å; R293-T296 WeakPolarHBondContact CA-OG1 3.47Å; R293-G297 CarbonylContact O-C 3.57Å; R293-G297 WeakPolarHBondContact O-CA 3.4Å; R293-G297 PolarHBondContact O-N 3.24Å; R293-G297 VanDerWaalsContact O-N 3.09Å; R293-E298 HydrophobicContact CG-CB 4.36Å; R293-E298 PolarHBondContact O-N 3.35Å; R293-S311 WeakPolarHBondContact CD-O 3.37Å; R293-S311 PolarHBondContact NH1-O 3.1Å
294	I	92.1	Very high	92.1	Very high	122 Å²	122	75.5 Å²	75.5	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-68.9	-39.8	173.5	-62.8	171.4	0	0	0	109.8	H291 R292	H291-I294 VanDerWaalsContact O-CB 3.22Å; H291-I294 WeakPolarHBondContact O-CB 3.44Å; H291-I294 WeakPolarHBondContact O-CG1 3.31Å; H291-I294 PolarHBondContact O-N 2.62Å; R292-I294 PolarHBondContact O-N 2.8Å
295	H	92.3	Very high	92.2	Very high	66 Å²	66	78.3 Å²	78.3	31%	0.306	40%	0.397	S	S	.	.	H	α-helix	trans	-78.1	-45.7	179.7	-61.1	-74.8	0	0	0	112.6	C275 E277 C278 H291 R292 G297	C275-H295 PolarHBondContact SG-NE2 3.5Å; E277-H295 WeakPolarHBondContact OE2-CB 3.44Å; E277-H295 IonicContact OE2-CG 3.55Å; E277-H295 IonicContact OE2-ND1 3.44Å; C278-H295 PolarHBondContact SG-NE2 2.94Å; H291-H295 AromaticContact CE1-NE2 3.78Å; H291-H295 AromaticContact NE2-CD2 3.88Å; H291-H295 AromaticContact NE2-NE2 3.31Å; H291-H295 PolarHBondContact NE2-NE2 3.34Å; R292-H295 PolarHBondContact O-N 2.96Å; H295-G297 PolarHBondContact O-N 3.15Å
296	T	90.9	Very high	92.4	Very high	64 Å²	64	74.6 Å²	74.6	39%	0.393	38%	0.384	S	S	.	.	H	α-helix	trans	-72.4	-14.6	178.8	64.1	0	0	0	0	112.9	R292 R293 E298	R292-T296 PolarHBondContact O-N 3.11Å; R292-T296 VanDerWaalsContact O-N 3.12Å; R293-T296 WeakPolarHBondContact CA-OG1 3.47Å; T296-E298 PolarHBondContact O-N 2.73Å; T296-E298 VanDerWaalsContact O-N 3.15Å; T296-E298 WeakPolarHBondContact OG1-CB 3.41Å; T296-E298 WeakPolarHBondContact OG1-CG 3.46Å; T296-E298 PolarHBondContact OG1-N 3.32Å
297	G	89.7	Confident	92.5	Very high	45 Å²	45	79.5 Å²	79.5	46%	0.464	40%	0.404	S	S	.	.			trans	68.3	4.5	-172.9	0	0	0	0	0	113.9	R293 H295 K299	R293-G297 CarbonylContact O-C 3.57Å; R293-G297 WeakPolarHBondContact O-CA 3.4Å; R293-G297 PolarHBondContact O-N 3.24Å; R293-G297 VanDerWaalsContact O-N 3.09Å; H295-G297 PolarHBondContact O-N 3.15Å; G297-K299 PolarHBondContact O-N 2.64Å
298	E	92.2	Very high	92.7	Very high	106 Å²	106	81.9 Å²	81.9	50%	0.495	41%	0.411	S	S	.	.			trans	-60.5	126.8	-177	-78.7	179.6	-175.5	0	0	111.8	R293 T296	R293-E298 HydrophobicContact CG-CB 4.36Å; R293-E298 PolarHBondContact O-N 3.35Å; T296-E298 PolarHBondContact O-N 2.73Å; T296-E298 VanDerWaalsContact O-N 3.15Å; T296-E298 WeakPolarHBondContact OG1-CB 3.41Å; T296-E298 WeakPolarHBondContact OG1-CG 3.46Å; T296-E298 PolarHBondContact OG1-N 3.32Å
299	K	94	Very high	92.8	Very high	120 Å²	120	82.1 Å²	82.1	52%	0.522	42%	0.416	S	S	.	.			trans	-127.1	76.6	177.4	-70.6	165.3	178.3	-176.8	0	110	G297 Y301 A309 F310	G297-K299 PolarHBondContact O-N 2.64Å; K299-Y301 PolarHBondContact O-N 3.49Å; K299-A309 HydrophobicContact CB-CB 3.49Å; K299-A309 VanDerWaalsContact CB-CB 3.49Å; K299-A309 HydrophobicContact CD-CB 4.26Å; K299-A309 WeakPolarHBondContact CD-O 3.34Å; K299-A309 HydrophobicContact CG-CB 4.45Å; K299-F310 CarbonylContact C-O 3.55Å; K299-F310 WeakPolarHBondContact CA-O 3.35Å
300	P	92.9	Very high	92.9	Very high	73 Å²	73	80.9 Å²	80.9	47%	0.474	41%	0.41	S	S	.	.			trans	-64.1	-23.2	-173.9	-22.4	34.4	0	0	0	113.8	K302	P300-K302 PolarHBondContact O-N 3.18Å
301	Y	95.8	Very high	93	Very high	79 Å²	79	80.6 Å²	80.6	31%	0.31	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	89.3	-173.8	-54	-75.6	0	0	0	110.5	K299 A309 F310 H313	K299-Y301 PolarHBondContact O-N 3.49Å; Y301-A309 CarbonylContact O-C 3.55Å; Y301-A309 WeakPolarHBondContact O-CA 3.29Å; Y301-F310 WeakPolarHBondContact CD2-O 3.37Å; Y301-F310 PolarHBondContact N-O 3.12Å; Y301-F310 VanDerWaalsContact N-O 3.16Å; Y301-F310 PolarHBondContact O-N 3.25Å; Y301-H313 HydrophobicContact CD1-CB 3.96Å; Y301-H313 VanDerWaalsContact CD2-N 3.33Å; Y301-H313 HydrophobicContact CE1-CB 3.72Å; Y301-H313 HydrophobicContact CE2-CB 4.28Å; Y301-H313 VanDerWaalsContact CE2-N 3.32Å; Y301-H313 HydrophobicContact CG-CB 4.35Å
302	K	94.1	Very high	93	Very high	162 Å²	162	83.1 Å²	83.1	70%	0.704	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	140	177.5	-61.4	-176.9	179	-178.8	0	111.3	P300 A309	P300-K302 PolarHBondContact O-N 3.18Å; K302-A309 HydrophobicContact CG-CB 3.95Å
303	C	94.8	Very high	93.2	Very high	12 Å²	12	83.6 Å²	83.6	8%	0.081	43%	0.427	C	S	.	.			trans	-75.9	139.9	165.4	-171.9	0	0	0	0	109.1	Q305 K308 L316 H323	C303-Q305 PolarHBondContact SG-N 3.45Å; C303-Q305 VanDerWaalsContact SG-N 3.44Å; C303-K308 VanDerWaalsContact CB-O 3.28Å; C303-K308 WeakPolarHBondContact CB-O 3.44Å; C303-K308 PolarHBondContact N-O 3.03Å; C303-L316 HydrophobicContact CB-CD1 3.89Å; C303-H323 PolarHBondContact SG-NE2 3.42Å
304	N	92.2	Very high	93.1	Very high	134 Å²	134	84.5 Å²	84.5	72%	0.717	44%	0.44	S	S	*	.	S	Bend	trans	-88	-9	176.4	63.7	-28.7	0	0	0	113.3
305	Q	90.9	Very high	93.2	Very high	102 Å²	102	81 Å²	81	48%	0.477	43%	0.425	S	S	.	.	S	Bend	trans	-109	-4.6	-178.1	-69.3	172.2	-12.6	0	0	112.9	C303 H323	C303-Q305 PolarHBondContact SG-N 3.45Å; C303-Q305 VanDerWaalsContact SG-N 3.44Å; Q305-H323 PolarHBondContact OE1-CD2 3.36Å
306	C	94.1	Very high	93.4	Very high	36 Å²	36	78.8 Å²	78.8	24%	0.243	42%	0.415	C	S	.	.	S	Bend	trans	-161	169.6	170.4	68.4	0	0	0	0	110.9	K308 H319 H323	C306-K308 PolarHBondContact O-N 3.03Å; C306-H319 PolarHBondContact SG-NE2 3.28Å; C306-H323 PolarHBondContact SG-NE2 3.36Å; C306-H323 VanDerWaalsContact SG-NE2 3.39Å
307	D	92.5	Very high	93.5	Very high	174 Å²	174	79.1 Å²	79.1	93%	0.93	41%	0.412	S	S	*	.	S	Bend	trans	-73.1	9.1	-176.9	-51.7	-51.8	0	0	0	114.6
308	K	94.7	Very high	93.7	Very high	129 Å²	129	79.2 Å²	79.2	56%	0.561	40%	0.402	S	S	*	.			trans	-80.2	127.2	-178.2	-64.9	-172.1	179.7	-166.7	0	110.9	C303 C306 F310	C303-K308 VanDerWaalsContact CB-O 3.28Å; C303-K308 WeakPolarHBondContact CB-O 3.44Å; C303-K308 PolarHBondContact N-O 3.03Å; C306-K308 PolarHBondContact O-N 3.03Å; K308-F310 HydrophobicContact CB-CE2 3.89Å; K308-F310 HydrophobicContact CB-CZ 3.9Å
309	A	94.6	Very high	93.8	Very high	27 Å²	27	75 Å²	75	22%	0.223	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151	171.2	0	0	0	0	0	111.1	K299 Y301 K302	K299-A309 HydrophobicContact CB-CB 3.49Å; K299-A309 VanDerWaalsContact CB-CB 3.49Å; K299-A309 HydrophobicContact CD-CB 4.26Å; K299-A309 WeakPolarHBondContact CD-O 3.34Å; K299-A309 HydrophobicContact CG-CB 4.45Å; Y301-A309 CarbonylContact O-C 3.55Å; Y301-A309 WeakPolarHBondContact O-CA 3.29Å; K302-A309 HydrophobicContact CG-CB 3.95Å
310	F	94.7	Very high	93.7	Very high	43 Å²	43	73.7 Å²	73.7	19%	0.189	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.9	-176.1	-56.9	-90.3	0	0	0	111.5	K299 Y301 K308 Q312 L316 H319	K299-F310 CarbonylContact C-O 3.55Å; K299-F310 WeakPolarHBondContact CA-O 3.35Å; Y301-F310 WeakPolarHBondContact CD2-O 3.37Å; Y301-F310 PolarHBondContact N-O 3.12Å; Y301-F310 VanDerWaalsContact N-O 3.16Å; Y301-F310 PolarHBondContact O-N 3.25Å; K308-F310 HydrophobicContact CB-CE2 3.89Å; K308-F310 HydrophobicContact CB-CZ 3.9Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-L316 HydrophobicContact CB-CB 4.32Å; F310-L316 HydrophobicContact CD2-CB 3.82Å; F310-L316 HydrophobicContact CD2-CD1 3.73Å; F310-L316 HydrophobicContact CD2-CG 4.38Å; F310-L316 HydrophobicContact CE2-CD1 3.9Å; F310-L316 HydrophobicContact CG-CB 4.26Å; F310-H319 HydrophobicContact CE1-CB 4.01Å; F310-H319 HydrophobicContact CE2-CB 3.82Å; F310-H319 AromaticContact CE2-CD2 3.2Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.37Å; F310-H319 AromaticContact CE2-CG 3.58Å; F310-H319 AromaticContact CE2-NE2 3.95Å; F310-H319 HydrophobicContact CZ-CB 3.42Å; F310-H319 VanDerWaalsContact CZ-CB 3.42Å; F310-H319 AromaticContact CZ-CD2 3.34Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.43Å; F310-H319 AromaticContact CZ-CG 3.23Å; F310-H319 AromaticContact CZ-ND1 3.88Å; F310-H319 AromaticContact CZ-NE2 3.98Å
311	S	93.4	Very high	93.7	Very high	35 Å²	35	72.4 Å²	72.4	25%	0.245	36%	0.359	C	S	.	.	S	Bend	trans	-76.3	-18.2	176.2	57.7	0	0	0	0	112.8	R293	R293-S311 WeakPolarHBondContact CD-O 3.37Å; R293-S311 PolarHBondContact NH1-O 3.1Å
312	Q	93.8	Very high	93.6	Very high	76 Å²	76	73.1 Å²	73.1	36%	0.355	37%	0.372	S	S	.	.	S	Bend	trans	-131.4	146	179.1	-58.2	-178.5	6	0	0	112.3	F310 S314 T315 L316	F310-Q312 VanDerWaalsContact C-N 3.31Å; Q312-S314 PolarHBondContact O-N 2.67Å; Q312-T315 WeakPolarHBondContact CB-OG1 3.45Å; Q312-T315 PolarHBondContact O-N 3.49Å; Q312-T315 PolarHBondContact O-OG1 3.43Å; Q312-L316 PolarHBondContact O-N 3.48Å
313	H	94.6	Very high	93.6	Very high	108 Å²	108	68.9 Å²	68.9	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.8	177.8	-98.6	0	0	0	112.4	Y301 T315 L316 Q317	Y301-H313 HydrophobicContact CD1-CB 3.96Å; Y301-H313 VanDerWaalsContact CD2-N 3.33Å; Y301-H313 HydrophobicContact CE1-CB 3.72Å; Y301-H313 HydrophobicContact CE2-CB 4.28Å; Y301-H313 VanDerWaalsContact CE2-N 3.32Å; Y301-H313 HydrophobicContact CG-CB 4.35Å; H313-T315 VanDerWaalsContact C-N 3.27Å; H313-T315 PolarHBondContact O-N 3.27Å; H313-L316 PolarHBondContact O-N 3.4Å; H313-L316 VanDerWaalsContact O-N 3.15Å; H313-Q317 PolarHBondContact O-N 2.87Å
314	S	92	Very high	93.4	Very high	61 Å²	61	71.4 Å²	71.4	43%	0.427	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-36.9	178.4	56.9	0	0	0	0	112.4	Q312 N318	Q312-S314 PolarHBondContact O-N 2.67Å; S314-N318 WeakPolarHBondContact O-CB 3.42Å; S314-N318 PolarHBondContact O-N 3.37Å; S314-N318 PolarHBondContact O-ND2 3.3Å
315	T	94.2	Very high	93.4	Very high	49 Å²	49	67.3 Å²	67.3	30%	0.301	36%	0.36	S	S	.	.	H	α-helix	trans	-68.8	-41	174.8	39	0	0	0	0	112.4	Q312 H313 N318 H319	Q312-T315 WeakPolarHBondContact CB-OG1 3.45Å; Q312-T315 PolarHBondContact O-N 3.49Å; Q312-T315 PolarHBondContact O-OG1 3.43Å; H313-T315 VanDerWaalsContact C-N 3.27Å; H313-T315 PolarHBondContact O-N 3.27Å; T315-N318 PolarHBondContact O-N 3.32Å; T315-H319 WeakPolarHBondContact O-CB 3.46Å; T315-H319 PolarHBondContact O-N 3.44Å
316	L	94.5	Very high	93.5	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-47.8	172.2	172.6	63.3	0	0	0	110.8	C303 F310 Q312 H313 N318 H319 R320	C303-L316 HydrophobicContact CB-CD1 3.89Å; F310-L316 HydrophobicContact CB-CB 4.32Å; F310-L316 HydrophobicContact CD2-CB 3.82Å; F310-L316 HydrophobicContact CD2-CD1 3.73Å; F310-L316 HydrophobicContact CD2-CG 4.38Å; F310-L316 HydrophobicContact CE2-CD1 3.9Å; F310-L316 HydrophobicContact CG-CB 4.26Å; Q312-L316 PolarHBondContact O-N 3.48Å; H313-L316 PolarHBondContact O-N 3.4Å; H313-L316 VanDerWaalsContact O-N 3.15Å; L316-N318 VanDerWaalsContact C-N 3.3Å; L316-N318 PolarHBondContact O-N 3.26Å; L316-H319 CarbonylContact O-C 3.27Å; L316-H319 WeakPolarHBondContact O-CA 3.2Å; L316-H319 WeakPolarHBondContact O-CB 3.29Å; L316-H319 PolarHBondContact O-N 3.44Å; L316-R320 HydrophobicContact CD1-CG 4.21Å; L316-R320 HydrophobicContact CG-CG 4.45Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.49Å
317	Q	93.6	Very high	93.5	Very high	72 Å²	72	71.8 Å²	71.8	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-40.8	-179.4	-175.4	64.5	-1.3	0	0	112	H313 H319 R320	H313-Q317 PolarHBondContact O-N 2.87Å; Q317-H319 VanDerWaalsContact C-N 3.31Å; Q317-H319 PolarHBondContact O-N 3.42Å; Q317-R320 PolarHBondContact O-N 3.05Å
318	N	93.5	Very high	93.5	Very high	46 Å²	46	66.9 Å²	66.9	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-30.9	173.5	-74.8	-41.8	0	0	0	112.8	S314 T315 L316 R321	S314-N318 WeakPolarHBondContact O-CB 3.42Å; S314-N318 PolarHBondContact O-N 3.37Å; S314-N318 PolarHBondContact O-ND2 3.3Å; T315-N318 PolarHBondContact O-N 3.32Å; L316-N318 VanDerWaalsContact C-N 3.3Å; L316-N318 PolarHBondContact O-N 3.26Å; N318-R321 PolarHBondContact OD1-NH1 2.82Å
319	H	94.3	Very high	93.6	Very high	17 Å²	17	63.5 Å²	63.5	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-73.1	-38	175.4	165.2	62	0	0	0	112.3	C306 F310 T315 L316 Q317 R321 T322 H323	C306-H319 PolarHBondContact SG-NE2 3.28Å; F310-H319 HydrophobicContact CE1-CB 4.01Å; F310-H319 HydrophobicContact CE2-CB 3.82Å; F310-H319 AromaticContact CE2-CD2 3.2Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.37Å; F310-H319 AromaticContact CE2-CG 3.58Å; F310-H319 AromaticContact CE2-NE2 3.95Å; F310-H319 HydrophobicContact CZ-CB 3.42Å; F310-H319 VanDerWaalsContact CZ-CB 3.42Å; F310-H319 AromaticContact CZ-CD2 3.34Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.43Å; F310-H319 AromaticContact CZ-CG 3.23Å; F310-H319 AromaticContact CZ-ND1 3.88Å; F310-H319 AromaticContact CZ-NE2 3.98Å; T315-H319 WeakPolarHBondContact O-CB 3.46Å; T315-H319 PolarHBondContact O-N 3.44Å; L316-H319 CarbonylContact O-C 3.27Å; L316-H319 WeakPolarHBondContact O-CA 3.2Å; L316-H319 WeakPolarHBondContact O-CB 3.29Å; L316-H319 PolarHBondContact O-N 3.44Å; Q317-H319 VanDerWaalsContact C-N 3.31Å; Q317-H319 PolarHBondContact O-N 3.42Å; H319-R321 PolarHBondContact O-N 2.78Å; H319-R321 VanDerWaalsContact O-N 3.1Å; H319-T322 PolarHBondContact ND1-OG1 3.11Å; H319-T322 WeakPolarHBondContact O-CA 3.49Å; H319-T322 VanDerWaalsContact O-CB 3.29Å; H319-T322 WeakPolarHBondContact O-CB 3.38Å; H319-T322 WeakPolarHBondContact O-CG2 3.37Å; H319-T322 PolarHBondContact O-N 3.47Å; H319-T322 PolarHBondContact O-OG1 2.92Å; H319-H323 AromaticContact CE1-NE2 3.46Å; H319-H323 PolarHBondContact CE1-NE2 3.15Å; H319-H323 AromaticContact NE2-CD2 3.93Å; H319-H323 AromaticContact NE2-NE2 3.3Å; H319-H323 PolarHBondContact NE2-NE2 2.77Å
320	R	92.6	Very high	93.6	Very high	93 Å²	93	70.1 Å²	70.1	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-54.4	-33.2	176.4	-73.2	179.9	66.1	-113.9	-5	112.7	L316 Q317 T322 H323 T324	L316-R320 HydrophobicContact CD1-CG 4.21Å; L316-R320 HydrophobicContact CG-CG 4.45Å; L316-R320 WeakPolarHBondContact O-CG 3.28Å; L316-R320 PolarHBondContact O-N 3.49Å; Q317-R320 PolarHBondContact O-N 3.05Å; R320-T322 PolarHBondContact O-N 3.29Å; R320-T322 VanDerWaalsContact O-N 3.11Å; R320-H323 PolarHBondContact O-N 3.48Å; R320-T324 PolarHBondContact O-N 3.31Å; R320-T324 VanDerWaalsContact O-N 3.17Å
321	R	93.9	Very high	93.6	Very high	46 Å²	46	68.7 Å²	68.7	17%	0.174	36%	0.357	C	S	.	.	H	α-helix	trans	-59.6	-19.8	172.9	-63.4	-177.9	179.4	149.7	5.5	114.4	N318 H319 T324 G325 E326 S339	N318-R321 PolarHBondContact OD1-NH1 2.82Å; H319-R321 PolarHBondContact O-N 2.78Å; H319-R321 VanDerWaalsContact O-N 3.1Å; R321-T324 WeakPolarHBondContact CA-OG1 3.48Å; R321-G325 WeakPolarHBondContact O-CA 3.41Å; R321-G325 PolarHBondContact O-N 3.38Å; R321-E326 HydrophobicContact CG-CB 4.39Å; R321-E326 PolarHBondContact O-N 2.85Å; R321-S339 WeakPolarHBondContact CD-O 3.45Å; R321-S339 PolarHBondContact NH1-O 2.82Å
322	T	92.7	Very high	93.6	Very high	94 Å²	94	73.3 Å²	73.3	58%	0.577	38%	0.379	S	S	*	.	H	α-helix	trans	-75.4	-25.8	175.1	66.4	0	0	0	0	112.7	H319 R320	H319-T322 PolarHBondContact ND1-OG1 3.11Å; H319-T322 WeakPolarHBondContact O-CA 3.49Å; H319-T322 VanDerWaalsContact O-CB 3.29Å; H319-T322 WeakPolarHBondContact O-CB 3.38Å; H319-T322 WeakPolarHBondContact O-CG2 3.37Å; H319-T322 PolarHBondContact O-N 3.47Å; H319-T322 PolarHBondContact O-OG1 2.92Å; R320-T322 PolarHBondContact O-N 3.29Å; R320-T322 VanDerWaalsContact O-N 3.11Å
323	H	93.6	Very high	93.5	Very high	73 Å²	73	74.6 Å²	74.6	34%	0.338	39%	0.385	S	S	.	.	H	α-helix	trans	-86.9	-42.9	174.3	-63.7	-71.5	0	0	0	112	C303 Q305 C306 H319 R320 G325	C303-H323 PolarHBondContact SG-NE2 3.42Å; Q305-H323 PolarHBondContact OE1-CD2 3.36Å; C306-H323 PolarHBondContact SG-NE2 3.36Å; C306-H323 VanDerWaalsContact SG-NE2 3.39Å; H319-H323 AromaticContact CE1-NE2 3.46Å; H319-H323 PolarHBondContact CE1-NE2 3.15Å; H319-H323 AromaticContact NE2-CD2 3.93Å; H319-H323 AromaticContact NE2-NE2 3.3Å; H319-H323 PolarHBondContact NE2-NE2 2.77Å; R320-H323 PolarHBondContact O-N 3.48Å; H323-G325 VanDerWaalsContact C-N 3.25Å; H323-G325 PolarHBondContact O-N 3.28Å
324	T	91.9	Very high	93.5	Very high	66 Å²	66	71.2 Å²	71.2	41%	0.405	37%	0.373	S	S	.	.	H	α-helix	trans	-75.7	-16.6	179.3	62.8	0	0	0	0	112.9	R320 R321 E326	R320-T324 PolarHBondContact O-N 3.31Å; R320-T324 VanDerWaalsContact O-N 3.17Å; R321-T324 WeakPolarHBondContact CA-OG1 3.48Å; T324-E326 PolarHBondContact O-N 3.44Å; T324-E326 VanDerWaalsContact O-N 3.17Å; T324-E326 WeakPolarHBondContact OG1-CB 3.46Å; T324-E326 WeakPolarHBondContact OG1-CG 3.48Å; T324-E326 PolarHBondContact OG1-N 3.17Å
325	G	90.8	Very high	93.5	Very high	48 Å²	48	76.5 Å²	76.5	50%	0.495	40%	0.396	S	S	.	.			trans	69.4	3.9	-172.8	0	0	0	0	0	113.9	R321 H323 K327	R321-G325 WeakPolarHBondContact O-CA 3.41Å; R321-G325 PolarHBondContact O-N 3.38Å; H323-G325 VanDerWaalsContact C-N 3.25Å; H323-G325 PolarHBondContact O-N 3.28Å; G325-K327 PolarHBondContact O-N 3.42Å
326	E	93	Very high	93.6	Very high	108 Å²	108	80.1 Å²	80.1	51%	0.505	41%	0.408	S	S	.	.			trans	-58.8	129.1	-176.9	-79.4	177.7	-172.1	0	0	112	R321 T324	R321-E326 HydrophobicContact CG-CB 4.39Å; R321-E326 PolarHBondContact O-N 2.85Å; T324-E326 PolarHBondContact O-N 3.44Å; T324-E326 VanDerWaalsContact O-N 3.17Å; T324-E326 WeakPolarHBondContact OG1-CB 3.46Å; T324-E326 WeakPolarHBondContact OG1-CG 3.48Å; T324-E326 PolarHBondContact OG1-N 3.17Å
327	K	94.7	Very high	93.6	Very high	124 Å²	124	80.3 Å²	80.3	54%	0.539	41%	0.413	S	S	.	.			trans	-127.3	76.6	177.8	-73.1	162.7	171.6	-176	0	110	G325 F329 A337 F338	G325-K327 PolarHBondContact O-N 3.42Å; K327-F329 PolarHBondContact O-N 3.17Å; K327-A337 HydrophobicContact CB-CB 3.54Å; K327-A337 HydrophobicContact CD-CB 4.35Å; K327-A337 VanDerWaalsContact CD-O 3.29Å; K327-A337 WeakPolarHBondContact CD-O 3.39Å; K327-A337 HydrophobicContact CG-CB 4.5Å; K327-F338 CarbonylContact C-O 3.23Å; K327-F338 VanDerWaalsContact C-O 3.29Å; K327-F338 VanDerWaalsContact CA-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.47Å
328	P	93.3	Very high	93.7	Very high	71 Å²	71	79 Å²	79	46%	0.461	41%	0.406	S	S	.	.			trans	-64.9	-22.3	-173.8	-22.4	34.6	0	0	0	113.8	K330	P328-K330 PolarHBondContact O-N 3.35Å
329	F	96.1	Very high	93.7	Very high	57 Å²	57	78.6 Å²	78.6	25%	0.25	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	88.3	-173.2	-55.4	-76.1	0	0	0	110.2	K327 A337 F338 H341 L344	K327-F329 PolarHBondContact O-N 3.17Å; F329-A337 CarbonylContact O-C 3.55Å; F329-A337 WeakPolarHBondContact O-CA 3.44Å; F329-F338 HydrophobicContact CB-CB 4.43Å; F329-F338 WeakPolarHBondContact CB-O 3.28Å; F329-F338 WeakPolarHBondContact CD2-O 3.15Å; F329-F338 PolarHBondContact N-O 3.18Å; F329-F338 VanDerWaalsContact N-O 3.12Å; F329-F338 PolarHBondContact O-N 3.12Å; F329-H341 HydrophobicContact CD1-CB 3.97Å; F329-H341 HydrophobicContact CE1-CB 3.74Å; F329-H341 HydrophobicContact CE2-CB 4.37Å; F329-H341 HydrophobicContact CG-CB 4.39Å; F329-H341 HydrophobicContact CZ-CB 3.94Å; F329-L344 HydrophobicContact CB-CB 4.03Å; F329-L344 HydrophobicContact CB-CD2 3.77Å; F329-L344 HydrophobicContact CB-CG 4.5Å
330	K	94.8	Very high	93.7	Very high	167 Å²	167	83.5 Å²	83.5	73%	0.726	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	140.5	177.3	-60.5	-174.6	179.9	-178.1	0	111.3	P328 A337	P328-K330 PolarHBondContact O-N 3.35Å; K330-A337 HydrophobicContact CG-CB 3.96Å
331	C	95.5	Very high	93.8	Very high	12 Å²	12	84.2 Å²	84.2	8%	0.081	43%	0.431	C	S	.	.			trans	-76.1	141.4	165.3	-172.5	0	0	0	0	109.3	Q333 K336 L344 H351	C331-Q333 PolarHBondContact SG-N 3.48Å; C331-Q333 VanDerWaalsContact SG-N 3.42Å; C331-K336 VanDerWaalsContact CB-O 3.29Å; C331-K336 WeakPolarHBondContact CB-O 3.29Å; C331-K336 PolarHBondContact N-O 2.86Å; C331-L344 HydrophobicContact CB-CD1 3.92Å; C331-H351 PolarHBondContact SG-NE2 3.12Å; C331-H351 VanDerWaalsContact SG-NE2 3.44Å
332	N	92.5	Very high	93.7	Very high	133 Å²	133	85.7 Å²	85.7	71%	0.711	45%	0.448	S	S	*	.	S	Bend	trans	-88.6	-9.5	176.1	64	-29.3	0	0	0	113.3
333	Q	91.3	Very high	93.8	Very high	102 Å²	102	83.6 Å²	83.6	48%	0.477	44%	0.436	S	S	.	.	S	Bend	trans	-108.6	-4.8	-178.3	-69.9	171.1	-17.2	0	0	112.9	C331 H351	C331-Q333 PolarHBondContact SG-N 3.48Å; C331-Q333 VanDerWaalsContact SG-N 3.42Å; Q333-H351 PolarHBondContact OE1-CD2 2.79Å
334	C	94.3	Very high	93.9	Very high	37 Å²	37	81 Å²	81	25%	0.25	42%	0.424	C	S	.	.	S	Bend	trans	-160.9	169.4	170.2	68.5	0	0	0	0	111.1	K336 H347 H351	C334-K336 PolarHBondContact O-N 3.35Å; C334-H347 PolarHBondContact SG-NE2 2.95Å; C334-H351 PolarHBondContact SG-NE2 3.03Å; C334-H351 VanDerWaalsContact SG-NE2 3.4Å
335	D	92.8	Very high	94	Very high	173 Å²	173	81.1 Å²	81.1	93%	0.925	42%	0.42	S	S	*	.	S	Bend	trans	-73.5	7	-177.3	-51.4	-53.3	0	0	0	114.5	A337	D335-A337 PolarHBondContact O-N 2.74Å
336	K	95.3	Very high	94.1	Very high	124 Å²	124	80.8 Å²	80.8	54%	0.539	41%	0.409	S	S	.	.			trans	-76.9	128.2	-179.4	-67.4	176.3	-175.4	-75	0	110.3	C331 C334 F338	C331-K336 VanDerWaalsContact CB-O 3.29Å; C331-K336 WeakPolarHBondContact CB-O 3.29Å; C331-K336 PolarHBondContact N-O 2.86Å; C334-K336 PolarHBondContact O-N 3.35Å; K336-F338 HydrophobicContact CB-CE2 3.86Å; K336-F338 HydrophobicContact CB-CZ 3.92Å; K336-F338 HydrophobicContact CD-CZ 4.48Å
337	A	95.1	Very high	94.2	Very high	24 Å²	24	76.6 Å²	76.6	20%	0.198	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.8	170.9	0	0	0	0	0	111.3	K327 F329 K330 D335	K327-A337 HydrophobicContact CB-CB 3.54Å; K327-A337 HydrophobicContact CD-CB 4.35Å; K327-A337 VanDerWaalsContact CD-O 3.29Å; K327-A337 WeakPolarHBondContact CD-O 3.39Å; K327-A337 HydrophobicContact CG-CB 4.5Å; F329-A337 CarbonylContact O-C 3.55Å; F329-A337 WeakPolarHBondContact O-CA 3.44Å; K330-A337 HydrophobicContact CG-CB 3.96Å; D335-A337 PolarHBondContact O-N 2.74Å
338	F	95.5	Very high	94.1	Very high	44 Å²	44	75.1 Å²	75.1	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.1	-175.2	-57.5	-91.6	0	0	0	111.5	K327 F329 K336 R340 T343 L344 H347	K327-F338 CarbonylContact C-O 3.23Å; K327-F338 VanDerWaalsContact C-O 3.29Å; K327-F338 VanDerWaalsContact CA-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.47Å; F329-F338 HydrophobicContact CB-CB 4.43Å; F329-F338 WeakPolarHBondContact CB-O 3.28Å; F329-F338 WeakPolarHBondContact CD2-O 3.15Å; F329-F338 PolarHBondContact N-O 3.18Å; F329-F338 VanDerWaalsContact N-O 3.12Å; F329-F338 PolarHBondContact O-N 3.12Å; K336-F338 HydrophobicContact CB-CE2 3.86Å; K336-F338 HydrophobicContact CB-CZ 3.92Å; K336-F338 HydrophobicContact CD-CZ 4.48Å; F338-R340 VanDerWaalsContact C-N 3.3Å; F338-T343 WeakPolarHBondContact CB-OG1 3.48Å; F338-L344 HydrophobicContact CB-CB 4.3Å; F338-L344 HydrophobicContact CD2-CB 3.86Å; F338-L344 HydrophobicContact CD2-CD1 3.77Å; F338-L344 HydrophobicContact CD2-CG 4.43Å; F338-L344 HydrophobicContact CE2-CD1 3.96Å; F338-L344 HydrophobicContact CG-CB 4.26Å; F338-H347 HydrophobicContact CE1-CB 3.99Å; F338-H347 HydrophobicContact CE2-CB 3.86Å; F338-H347 AromaticContact CE2-CD2 3.15Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.35Å; F338-H347 AromaticContact CE2-CG 3.58Å; F338-H347 AromaticContact CE2-NE2 3.88Å; F338-H347 HydrophobicContact CZ-CB 3.44Å; F338-H347 VanDerWaalsContact CZ-CB 3.44Å; F338-H347 AromaticContact CZ-CD2 3.28Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.31Å; F338-H347 AromaticContact CZ-CG 3.22Å; F338-H347 AromaticContact CZ-ND1 3.9Å; F338-H347 AromaticContact CZ-NE2 3.91Å
339	S	93.8	Very high	94.2	Very high	37 Å²	37	74.1 Å²	74.1	26%	0.259	37%	0.367	S	S	.	.	S	Bend	trans	-79.2	-13.1	176.3	60.2	0	0	0	0	113	R321	R321-S339 WeakPolarHBondContact CD-O 3.45Å; R321-S339 PolarHBondContact NH1-O 2.82Å
340	R	93.9	Very high	94.1	Very high	120 Å²	120	75.9 Å²	75.9	45%	0.453	38%	0.383	S	S	.	.	S	Bend	trans	-133.6	143.6	179.3	-60.5	178.3	179.9	178.1	-1.6	111.4	F338 S342 T343 L344	F338-R340 VanDerWaalsContact C-N 3.3Å; R340-S342 PolarHBondContact O-N 3.47Å; R340-T343 HydrophobicContact CB-CG2 4.43Å; R340-T343 PolarHBondContact O-N 3.39Å; R340-T343 PolarHBondContact O-OG1 3.31Å; R340-L344 PolarHBondContact O-N 3.39Å
341	H	94.7	Very high	94.1	Very high	109 Å²	109	71.5 Å²	71.5	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177.1	179.2	-96	0	0	0	112.3	F329 T343 L344 Q345	F329-H341 HydrophobicContact CD1-CB 3.97Å; F329-H341 HydrophobicContact CE1-CB 3.74Å; F329-H341 HydrophobicContact CE2-CB 4.37Å; F329-H341 HydrophobicContact CG-CB 4.39Å; F329-H341 HydrophobicContact CZ-CB 3.94Å; H341-T343 VanDerWaalsContact C-N 3.27Å; H341-T343 PolarHBondContact O-N 2.99Å; H341-L344 WeakPolarHBondContact O-CB 3.49Å; H341-L344 PolarHBondContact O-N 3.39Å; H341-L344 VanDerWaalsContact O-N 3.12Å; H341-Q345 PolarHBondContact O-N 3.47Å
342	S	92.3	Very high	93.9	Very high	76 Å²	76	74 Å²	74	53%	0.531	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-38	179.3	53.6	0	0	0	0	112.6	R340 Q345 T346	R340-S342 PolarHBondContact O-N 3.47Å; S342-Q345 PolarHBondContact O-N 2.86Å; S342-T346 WeakPolarHBondContact O-CG2 3.48Å; S342-T346 PolarHBondContact O-N 3Å; S342-T346 PolarHBondContact O-OG1 3.34Å
343	T	94.6	Very high	93.9	Very high	50 Å²	50	70 Å²	70	31%	0.307	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-39.6	175.9	46.1	0	0	0	0	112.1	F338 R340 H341 T346 H347	F338-T343 WeakPolarHBondContact CB-OG1 3.48Å; R340-T343 HydrophobicContact CB-CG2 4.43Å; R340-T343 PolarHBondContact O-N 3.39Å; R340-T343 PolarHBondContact O-OG1 3.31Å; H341-T343 VanDerWaalsContact C-N 3.27Å; H341-T343 PolarHBondContact O-N 2.99Å; T343-T346 WeakPolarHBondContact CA-OG1 3.46Å; T343-T346 PolarHBondContact O-N 3.3Å; T343-T346 PolarHBondContact O-OG1 3.19Å; T343-H347 VanDerWaalsContact O-CB 3.31Å; T343-H347 WeakPolarHBondContact O-CB 3.41Å; T343-H347 PolarHBondContact O-N 3.47Å
344	L	95.2	Very high	94	Very high	18 Å²	18	70.2 Å²	70.2	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-60.9	-46.6	171.4	172.3	63.5	0	0	0	110.5	F329 C331 F338 R340 H341 T346 H347 R348	F329-L344 HydrophobicContact CB-CB 4.03Å; F329-L344 HydrophobicContact CB-CD2 3.77Å; F329-L344 HydrophobicContact CB-CG 4.5Å; C331-L344 HydrophobicContact CB-CD1 3.92Å; F338-L344 HydrophobicContact CB-CB 4.3Å; F338-L344 HydrophobicContact CD2-CB 3.86Å; F338-L344 HydrophobicContact CD2-CD1 3.77Å; F338-L344 HydrophobicContact CD2-CG 4.43Å; F338-L344 HydrophobicContact CE2-CD1 3.96Å; F338-L344 HydrophobicContact CG-CB 4.26Å; R340-L344 PolarHBondContact O-N 3.39Å; H341-L344 WeakPolarHBondContact O-CB 3.49Å; H341-L344 PolarHBondContact O-N 3.39Å; H341-L344 VanDerWaalsContact O-N 3.12Å; L344-T346 VanDerWaalsContact C-N 3.34Å; L344-T346 PolarHBondContact O-N 3.45Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 WeakPolarHBondContact O-CA 3.42Å; L344-H347 WeakPolarHBondContact O-CB 3.48Å; L344-H347 PolarHBondContact O-N 3.11Å; L344-R348 HydrophobicContact CD1-CG 4.17Å; L344-R348 HydrophobicContact CG-CG 4.42Å; L344-R348 WeakPolarHBondContact O-CG 3.41Å; L344-R348 PolarHBondContact O-N 3.38Å
345	Q	94.2	Very high	94	Very high	69 Å²	69	74.3 Å²	74.3	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-61.9	-41	-179.4	-174.1	62.6	9.8	0	0	112.2	H341 S342 H347 R348	H341-Q345 PolarHBondContact O-N 3.47Å; S342-Q345 PolarHBondContact O-N 2.86Å; Q345-H347 VanDerWaalsContact C-N 3.3Å; Q345-H347 PolarHBondContact O-N 3.34Å; Q345-R348 VanDerWaalsContact OE1-NH1 3.08Å
346	T	94.1	Very high	94	Very high	42 Å²	42	69.4 Å²	69.4	26%	0.258	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-31.3	173	53.4	0	0	0	0	112.8	S342 T343 L344 R349 Q368	S342-T346 WeakPolarHBondContact O-CG2 3.48Å; S342-T346 PolarHBondContact O-N 3Å; S342-T346 PolarHBondContact O-OG1 3.34Å; T343-T346 WeakPolarHBondContact CA-OG1 3.46Å; T343-T346 PolarHBondContact O-N 3.3Å; T343-T346 PolarHBondContact O-OG1 3.19Å; L344-T346 VanDerWaalsContact C-N 3.34Å; L344-T346 PolarHBondContact O-N 3.45Å; T346-R349 WeakPolarHBondContact O-CB 3.47Å; T346-Q368 HydrophobicContact CG2-CG 4.49Å
347	H	94.9	Very high	94.1	Very high	19 Å²	19	66.2 Å²	66.2	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-72.5	-38.8	176.4	165.8	58.5	0	0	0	112.1	C334 F338 T343 L344 Q345 R349 T350 H351	C334-H347 PolarHBondContact SG-NE2 2.95Å; F338-H347 HydrophobicContact CE1-CB 3.99Å; F338-H347 HydrophobicContact CE2-CB 3.86Å; F338-H347 AromaticContact CE2-CD2 3.15Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.35Å; F338-H347 AromaticContact CE2-CG 3.58Å; F338-H347 AromaticContact CE2-NE2 3.88Å; F338-H347 HydrophobicContact CZ-CB 3.44Å; F338-H347 VanDerWaalsContact CZ-CB 3.44Å; F338-H347 AromaticContact CZ-CD2 3.28Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.31Å; F338-H347 AromaticContact CZ-CG 3.22Å; F338-H347 AromaticContact CZ-ND1 3.9Å; F338-H347 AromaticContact CZ-NE2 3.91Å; T343-H347 VanDerWaalsContact O-CB 3.31Å; T343-H347 WeakPolarHBondContact O-CB 3.41Å; T343-H347 PolarHBondContact O-N 3.47Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 WeakPolarHBondContact O-CA 3.42Å; L344-H347 WeakPolarHBondContact O-CB 3.48Å; L344-H347 PolarHBondContact O-N 3.11Å; Q345-H347 VanDerWaalsContact C-N 3.3Å; Q345-H347 PolarHBondContact O-N 3.34Å; H347-R349 PolarHBondContact O-N 3.39Å; H347-T350 PolarHBondContact CE1-OG1 2.85Å; H347-T350 PolarHBondContact ND1-OG1 3.25Å; H347-T350 WeakPolarHBondContact O-CB 3.34Å; H347-T350 WeakPolarHBondContact O-CG2 3.37Å; H347-T350 PolarHBondContact O-N 3.31Å; H347-T350 PolarHBondContact O-OG1 3.32Å; H347-H351 AromaticContact CE1-NE2 3.43Å; H347-H351 PolarHBondContact CE1-NE2 2.83Å; H347-H351 AromaticContact NE2-CD2 3.97Å; H347-H351 AromaticContact NE2-NE2 3.32Å; H347-H351 PolarHBondContact NE2-NE2 2.9Å
348	R	93	Very high	94.1	Very high	93 Å²	93	73 Å²	73	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-53.8	-31	176.4	-73.3	179.6	66.9	-125.3	-3.2	112.6	L344 Q345 T350 H351 T352	L344-R348 HydrophobicContact CD1-CG 4.17Å; L344-R348 HydrophobicContact CG-CG 4.42Å; L344-R348 WeakPolarHBondContact O-CG 3.41Å; L344-R348 PolarHBondContact O-N 3.38Å; Q345-R348 VanDerWaalsContact OE1-NH1 3.08Å; R348-T350 PolarHBondContact O-N 2.97Å; R348-H351 PolarHBondContact O-N 2.95Å; R348-T352 PolarHBondContact O-N 3.07Å; R348-T352 VanDerWaalsContact O-N 3.16Å
349	R	94.5	Very high	94.1	Very high	51 Å²	51	71.5 Å²	71.5	19%	0.192	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-19.8	173.4	-61.2	179.8	179.9	157.9	1.4	114.3	T346 H347 H351 T352 G353 E354 S367	T346-R349 WeakPolarHBondContact O-CB 3.47Å; H347-R349 PolarHBondContact O-N 3.39Å; R349-H351 VanDerWaalsContact C-N 3.31Å; R349-T352 WeakPolarHBondContact CA-OG1 3.46Å; R349-G353 WeakPolarHBondContact O-CA 3.37Å; R349-G353 PolarHBondContact O-N 3.16Å; R349-E354 HydrophobicContact CG-CB 4.34Å; R349-E354 PolarHBondContact O-N 3.36Å; R349-S367 WeakPolarHBondContact CD-O 3.29Å; R349-S367 PolarHBondContact NH1-O 3.32Å
350	T	93.6	Very high	94	Very high	94 Å²	94	76.1 Å²	76.1	58%	0.577	39%	0.389	S	S	*	.	H	α-helix	trans	-74.2	-24.9	174	67.4	0	0	0	0	112.4	H347 R348	H347-T350 PolarHBondContact CE1-OG1 2.85Å; H347-T350 PolarHBondContact ND1-OG1 3.25Å; H347-T350 WeakPolarHBondContact O-CB 3.34Å; H347-T350 WeakPolarHBondContact O-CG2 3.37Å; H347-T350 PolarHBondContact O-N 3.31Å; H347-T350 PolarHBondContact O-OG1 3.32Å; R348-T350 PolarHBondContact O-N 2.97Å
351	H	94.1	Very high	93.9	Very high	74 Å²	74	75.4 Å²	75.4	34%	0.343	39%	0.391	S	S	.	.	H	α-helix	trans	-87.5	-43.1	175.1	-63.3	-71.2	0	0	0	111.9	C331 Q333 C334 H347 R348 R349 G353	C331-H351 PolarHBondContact SG-NE2 3.12Å; C331-H351 VanDerWaalsContact SG-NE2 3.44Å; Q333-H351 PolarHBondContact OE1-CD2 2.79Å; C334-H351 PolarHBondContact SG-NE2 3.03Å; C334-H351 VanDerWaalsContact SG-NE2 3.4Å; H347-H351 AromaticContact CE1-NE2 3.43Å; H347-H351 PolarHBondContact CE1-NE2 2.83Å; H347-H351 AromaticContact NE2-CD2 3.97Å; H347-H351 AromaticContact NE2-NE2 3.32Å; H347-H351 PolarHBondContact NE2-NE2 2.9Å; R348-H351 PolarHBondContact O-N 2.95Å; R349-H351 VanDerWaalsContact C-N 3.31Å; H351-G353 VanDerWaalsContact C-N 3.26Å; H351-G353 PolarHBondContact O-N 2.77Å
352	T	92.6	Very high	93.9	Very high	66 Å²	66	71.9 Å²	71.9	41%	0.405	38%	0.379	S	S	.	.	H	α-helix	trans	-75.5	-17.1	178.5	62.9	0	0	0	0	112.9	R348 R349 E354	R348-T352 PolarHBondContact O-N 3.07Å; R348-T352 VanDerWaalsContact O-N 3.16Å; R349-T352 WeakPolarHBondContact CA-OG1 3.46Å; T352-E354 PolarHBondContact O-N 3.34Å; T352-E354 WeakPolarHBondContact OG1-CB 3.41Å; T352-E354 WeakPolarHBondContact OG1-CG 3.29Å; T352-E354 PolarHBondContact OG1-N 2.81Å
353	G	91.4	Very high	93.9	Very high	48 Å²	48	76.5 Å²	76.5	50%	0.495	40%	0.398	S	S	.	.			trans	70.5	3.6	-173.2	0	0	0	0	0	113.9	R349 H351 K355	R349-G353 WeakPolarHBondContact O-CA 3.37Å; R349-G353 PolarHBondContact O-N 3.16Å; H351-G353 VanDerWaalsContact C-N 3.26Å; H351-G353 PolarHBondContact O-N 2.77Å; G353-K355 PolarHBondContact O-N 3.15Å
354	E	93.6	Very high	93.9	Very high	107 Å²	107	80 Å²	80	50%	0.5	41%	0.409	S	S	.	.			trans	-58.7	128.9	-177.4	-79	178	-173.7	0	0	111.9	R349 T352	R349-E354 HydrophobicContact CG-CB 4.34Å; R349-E354 PolarHBondContact O-N 3.36Å; T352-E354 PolarHBondContact O-N 3.34Å; T352-E354 WeakPolarHBondContact OG1-CB 3.41Å; T352-E354 WeakPolarHBondContact OG1-CG 3.29Å; T352-E354 PolarHBondContact OG1-N 2.81Å
355	K	94.8	Very high	93.9	Very high	123 Å²	123	80.3 Å²	80.3	54%	0.535	41%	0.414	S	S	.	.			trans	-127	76.1	177.7	-72.5	162.8	171.2	-176.1	0	110	G353 F357 A365 F366	G353-K355 PolarHBondContact O-N 3.15Å; K355-F357 PolarHBondContact O-N 2.81Å; K355-A365 HydrophobicContact CB-CB 3.51Å; K355-A365 HydrophobicContact CD-CB 4.28Å; K355-A365 VanDerWaalsContact CD-O 3.28Å; K355-A365 WeakPolarHBondContact CD-O 3.33Å; K355-A365 HydrophobicContact CG-CB 4.45Å; K355-F366 CarbonylContact C-O 3.56Å; K355-F366 VanDerWaalsContact C-O 3.31Å; K355-F366 VanDerWaalsContact CA-O 3.31Å; K355-F366 WeakPolarHBondContact CA-O 3.46Å
356	P	93.5	Very high	94	Very high	70 Å²	70	79 Å²	79	46%	0.455	41%	0.407	S	S	.	.			trans	-64.6	-22.1	-173.9	-22.6	34.8	0	0	0	113.9	K358	P356-K358 PolarHBondContact O-N 3.18Å
357	F	96.1	Very high	94	Very high	57 Å²	57	78.4 Å²	78.4	25%	0.25	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	90.4	-173.9	-53.6	-73.5	0	0	0	110.2	K355 A365 F366 Y369 L372	K355-F357 PolarHBondContact O-N 2.81Å; F357-A365 CarbonylContact O-C 3.29Å; F357-A365 WeakPolarHBondContact O-CA 3.42Å; F357-F366 HydrophobicContact CB-CB 4.48Å; F357-F366 WeakPolarHBondContact CD2-O 3.2Å; F357-F366 PolarHBondContact N-O 3.37Å; F357-F366 VanDerWaalsContact N-O 3.16Å; F357-F366 PolarHBondContact O-N 2.93Å; F357-Y369 AromaticContact CD1-CD2 3.91Å; F357-Y369 HydrophobicContact CD1-CD2 3.91Å; F357-Y369 HydrophobicContact CD1-CG 4.44Å; F357-Y369 VanDerWaalsContact CD2-N 3.31Å; F357-Y369 HydrophobicContact CE1-CD2 4.16Å; F357-Y369 HydrophobicContact CE1-CG 4.43Å; F357-Y369 VanDerWaalsContact CE2-N 3.34Å; F357-L372 HydrophobicContact CB-CB 4.07Å; F357-L372 HydrophobicContact CB-CD2 3.8Å
358	K	94.8	Very high	93.9	Very high	167 Å²	167	80.6 Å²	80.6	73%	0.726	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.3	177.8	-60.9	-175.5	179.1	-178.3	0	111.2	P356 A365	P356-K358 PolarHBondContact O-N 3.18Å; K358-A365 HydrophobicContact CG-CB 3.96Å
359	C	95.4	Very high	94	Very high	12 Å²	12	82.9 Å²	82.9	8%	0.081	42%	0.424	C	S	.	.			trans	-75.8	140.4	167.2	-169	0	0	0	0	108.9	K364 L372 H379	C359-K364 VanDerWaalsContact CB-O 3.3Å; C359-K364 WeakPolarHBondContact CB-O 3.3Å; C359-K364 PolarHBondContact N-O 3.46Å; C359-L372 HydrophobicContact CB-CD1 3.81Å; C359-H379 PolarHBondContact SG-NE2 3.27Å
360	N	92.7	Very high	94	Very high	133 Å²	133	83.2 Å²	83.2	71%	0.711	43%	0.434	S	S	*	.	S	Bend	trans	-87.3	-8.9	176.8	64.1	-29	0	0	0	113.2
361	Q	91.5	Very high	94	Very high	105 Å²	105	82.8 Å²	82.8	49%	0.491	43%	0.425	S	S	.	.	S	Bend	trans	-110.2	-3.6	-177.8	-69.4	171.3	-13.1	0	0	113.1	H379	Q361-H379 PolarHBondContact OE1-CD2 2.81Å
362	C	94	Very high	94.1	Very high	36 Å²	36	80 Å²	80	24%	0.243	41%	0.413	C	S	.	.	S	Bend	trans	-162.1	169.7	169.7	66.5	0	0	0	0	110.9	K364 H375 H379	C362-K364 PolarHBondContact O-N 2.81Å; C362-H375 PolarHBondContact SG-NE2 3.1Å; C362-H379 PolarHBondContact SG-NE2 3.09Å; C362-H379 VanDerWaalsContact SG-NE2 3.38Å
363	D	92.8	Very high	94.2	Very high	173 Å²	173	80.1 Å²	80.1	93%	0.925	41%	0.409	S	S	*	.	S	Bend	trans	-72.6	8.3	-177.3	-51.9	-51.2	0	0	0	114.7
364	K	95.1	Very high	94.3	Very high	124 Å²	124	80.3 Å²	80.3	54%	0.539	40%	0.398	S	S	.	.			trans	-77.9	129.4	-178.9	-65.2	-171.9	-178.3	-169.1	0	110.9	C359 C362 F366	C359-K364 VanDerWaalsContact CB-O 3.3Å; C359-K364 WeakPolarHBondContact CB-O 3.3Å; C359-K364 PolarHBondContact N-O 3.46Å; C362-K364 PolarHBondContact O-N 2.81Å; K364-F366 HydrophobicContact CB-CE2 3.87Å; K364-F366 HydrophobicContact CB-CZ 4.02Å
365	A	95.1	Very high	94.3	Very high	24 Å²	24	76 Å²	76	20%	0.198	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149	172.6	0	0	0	0	0	111.3	K355 F357 K358	K355-A365 HydrophobicContact CB-CB 3.51Å; K355-A365 HydrophobicContact CD-CB 4.28Å; K355-A365 VanDerWaalsContact CD-O 3.28Å; K355-A365 WeakPolarHBondContact CD-O 3.33Å; K355-A365 HydrophobicContact CG-CB 4.45Å; F357-A365 CarbonylContact O-C 3.29Å; F357-A365 WeakPolarHBondContact O-CA 3.42Å; K358-A365 HydrophobicContact CG-CB 3.96Å
366	F	95.6	Very high	94.3	Very high	42 Å²	42	75 Å²	75	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.5	-174.9	-57.9	-93.6	0	0	0	111.2	K355 F357 K364 Q368 H371 L372 H375	K355-F366 CarbonylContact C-O 3.56Å; K355-F366 VanDerWaalsContact C-O 3.31Å; K355-F366 VanDerWaalsContact CA-O 3.31Å; K355-F366 WeakPolarHBondContact CA-O 3.46Å; F357-F366 HydrophobicContact CB-CB 4.48Å; F357-F366 WeakPolarHBondContact CD2-O 3.2Å; F357-F366 PolarHBondContact N-O 3.37Å; F357-F366 VanDerWaalsContact N-O 3.16Å; F357-F366 PolarHBondContact O-N 2.93Å; K364-F366 HydrophobicContact CB-CE2 3.87Å; K364-F366 HydrophobicContact CB-CZ 4.02Å; F366-Q368 VanDerWaalsContact C-N 3.28Å; F366-H371 HydrophobicContact CB-CB 4.17Å; F366-H371 HydrophobicContact CD1-CB 3.74Å; F366-H371 HydrophobicContact CG-CB 4.2Å; F366-L372 HydrophobicContact CB-CB 4.28Å; F366-L372 HydrophobicContact CD2-CB 3.81Å; F366-L372 HydrophobicContact CD2-CD1 3.79Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.96Å; F366-L372 HydrophobicContact CG-CB 4.21Å; F366-H375 HydrophobicContact CE1-CB 3.99Å; F366-H375 HydrophobicContact CE2-CB 3.83Å; F366-H375 AromaticContact CE2-CD2 3.21Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.34Å; F366-H375 AromaticContact CE2-CG 3.61Å; F366-H375 AromaticContact CE2-NE2 3.98Å; F366-H375 HydrophobicContact CZ-CB 3.39Å; F366-H375 AromaticContact CZ-CD2 3.37Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.3Å; F366-H375 AromaticContact CZ-CG 3.26Å; F366-H375 AromaticContact CZ-ND1 3.99Å
367	S	93.8	Very high	94.3	Very high	29 Å²	29	73.6 Å²	73.6	20%	0.203	36%	0.356	C	S	.	.	S	Bend	trans	-76.7	-15.5	175.3	57.8	0	0	0	0	113.1	R349	R349-S367 WeakPolarHBondContact CD-O 3.29Å; R349-S367 PolarHBondContact NH1-O 3.32Å
368	Q	94.7	Very high	94.2	Very high	65 Å²	65	75.4 Å²	75.4	30%	0.304	37%	0.372	S	S	.	.	S	Bend	trans	-135	140.7	-180	-59.4	-175.9	27.2	0	0	111.1	T346 F366 S370 H371 L372	T346-Q368 HydrophobicContact CG2-CG 4.49Å; F366-Q368 VanDerWaalsContact C-N 3.28Å; Q368-S370 PolarHBondContact O-N 3.22Å; Q368-H371 PolarHBondContact O-N 2.82Å; Q368-L372 PolarHBondContact O-N 3.25Å
369	Y	95	Very high	94.1	Very high	141 Å²	141	70.9 Å²	70.9	55%	0.553	35%	0.353	S	S	*	.	H	α-helix	trans	-63.7	-38.4	-179.4	179.9	-98	0	0	0	112.8	F357 H371 L372 H373	F357-Y369 AromaticContact CD1-CD2 3.91Å; F357-Y369 HydrophobicContact CD1-CD2 3.91Å; F357-Y369 HydrophobicContact CD1-CG 4.44Å; F357-Y369 VanDerWaalsContact CD2-N 3.31Å; F357-Y369 HydrophobicContact CE1-CD2 4.16Å; F357-Y369 HydrophobicContact CE1-CG 4.43Å; F357-Y369 VanDerWaalsContact CE2-N 3.34Å; Y369-H371 VanDerWaalsContact C-N 3.27Å; Y369-H371 PolarHBondContact O-N 3.42Å; Y369-L372 WeakPolarHBondContact O-CB 3.35Å; Y369-L372 PolarHBondContact O-N 3.1Å; Y369-L372 VanDerWaalsContact O-N 3.13Å; Y369-H373 HydrophobicContact CE1-CB 4.42Å; Y369-H373 PolarHBondContact O-N 3.22Å
370	S	93.2	Very high	94	Very high	58 Å²	58	73.4 Å²	73.4	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-39.6	176.8	52.2	0	0	0	0	112.3	Q368 H373 I374	Q368-S370 PolarHBondContact O-N 3.22Å; S370-H373 PolarHBondContact O-N 2.74Å; S370-I374 VanDerWaalsContact O-CG1 3.31Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.1Å
371	H	94.9	Very high	93.9	Very high	84 Å²	84	69.3 Å²	69.3	39%	0.389	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-40.2	176.6	-61.9	166.3	0	0	0	111.8	F366 Q368 Y369 H375	F366-H371 HydrophobicContact CB-CB 4.17Å; F366-H371 HydrophobicContact CD1-CB 3.74Å; F366-H371 HydrophobicContact CG-CB 4.2Å; Q368-H371 PolarHBondContact O-N 2.82Å; Y369-H371 VanDerWaalsContact C-N 3.27Å; Y369-H371 PolarHBondContact O-N 3.42Å; H371-H375 VanDerWaalsContact O-CB 3.27Å; H371-H375 WeakPolarHBondContact O-CB 3.45Å; H371-H375 PolarHBondContact O-N 3.46Å
372	L	95.3	Very high	94	Very high	15 Å²	15	69.6 Å²	69.6	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-45.7	171.5	173.3	63.9	0	0	0	111	F357 C359 F366 Q368 Y369 I374 H375 R376	F357-L372 HydrophobicContact CB-CB 4.07Å; F357-L372 HydrophobicContact CB-CD2 3.8Å; C359-L372 HydrophobicContact CB-CD1 3.81Å; F366-L372 HydrophobicContact CB-CB 4.28Å; F366-L372 HydrophobicContact CD2-CB 3.81Å; F366-L372 HydrophobicContact CD2-CD1 3.79Å; F366-L372 HydrophobicContact CD2-CG 4.41Å; F366-L372 HydrophobicContact CE2-CD1 3.96Å; F366-L372 HydrophobicContact CG-CB 4.21Å; Q368-L372 PolarHBondContact O-N 3.25Å; Y369-L372 WeakPolarHBondContact O-CB 3.35Å; Y369-L372 PolarHBondContact O-N 3.1Å; Y369-L372 VanDerWaalsContact O-N 3.13Å; L372-I374 PolarHBondContact O-N 2.91Å; L372-H375 CarbonylContact O-C 3.33Å; L372-H375 WeakPolarHBondContact O-CA 3.47Å; L372-H375 WeakPolarHBondContact O-CB 3.43Å; L372-H375 PolarHBondContact O-N 2.84Å; L372-H375 VanDerWaalsContact O-N 3.1Å; L372-R376 HydrophobicContact CD1-CG 4.29Å; L372-R376 WeakPolarHBondContact O-CG 3.49Å; L372-R376 PolarHBondContact O-N 3.46Å
373	H	94.2	Very high	94	Very high	70 Å²	70	73.5 Å²	73.5	32%	0.324	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-44.2	-179.8	-179.6	81.2	0	0	0	111.9	Y369 S370 H375 R376 R377	Y369-H373 HydrophobicContact CE1-CB 4.42Å; Y369-H373 PolarHBondContact O-N 3.22Å; S370-H373 PolarHBondContact O-N 2.74Å; H373-H375 VanDerWaalsContact C-N 3.32Å; H373-R376 PolarHBondContact O-N 3.19Å; H373-R377 PolarHBondContact NE2-NH2 2.94Å; H373-R377 VanDerWaalsContact NE2-NH2 3.13Å
374	I	93.7	Very high	94	Very high	52 Å²	52	68.7 Å²	68.7	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-39.8	174.1	-66.9	165.2	0	0	0	110.7	S370 L372 R377 Q396	S370-I374 VanDerWaalsContact O-CG1 3.31Å; S370-I374 WeakPolarHBondContact O-CG1 3.38Å; S370-I374 PolarHBondContact O-N 3.1Å; L372-I374 PolarHBondContact O-N 2.91Å; I374-R377 WeakPolarHBondContact O-CB 3.27Å; I374-R377 PolarHBondContact O-N 2.94Å; I374-Q396 HydrophobicContact CG2-CG 3.67Å
375	H	94.8	Very high	94	Very high	17 Å²	17	65.6 Å²	65.6	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-38.5	177.1	166.5	55.8	0	0	0	112.7	C362 F366 H371 L372 H373 R377 T378 H379	C362-H375 PolarHBondContact SG-NE2 3.1Å; F366-H375 HydrophobicContact CE1-CB 3.99Å; F366-H375 HydrophobicContact CE2-CB 3.83Å; F366-H375 AromaticContact CE2-CD2 3.21Å; F366-H375 WeakPolarHBondContact CE2-CD2 3.34Å; F366-H375 AromaticContact CE2-CG 3.61Å; F366-H375 AromaticContact CE2-NE2 3.98Å; F366-H375 HydrophobicContact CZ-CB 3.39Å; F366-H375 AromaticContact CZ-CD2 3.37Å; F366-H375 WeakPolarHBondContact CZ-CD2 3.3Å; F366-H375 AromaticContact CZ-CG 3.26Å; F366-H375 AromaticContact CZ-ND1 3.99Å; H371-H375 VanDerWaalsContact O-CB 3.27Å; H371-H375 WeakPolarHBondContact O-CB 3.45Å; H371-H375 PolarHBondContact O-N 3.46Å; L372-H375 CarbonylContact O-C 3.33Å; L372-H375 WeakPolarHBondContact O-CA 3.47Å; L372-H375 WeakPolarHBondContact O-CB 3.43Å; L372-H375 PolarHBondContact O-N 2.84Å; L372-H375 VanDerWaalsContact O-N 3.1Å; H373-H375 VanDerWaalsContact C-N 3.32Å; H375-R377 PolarHBondContact O-N 3.1Å; H375-T378 PolarHBondContact CE1-OG1 3.36Å; H375-T378 PolarHBondContact ND1-OG1 3.05Å; H375-T378 WeakPolarHBondContact O-CB 3.44Å; H375-T378 PolarHBondContact O-N 2.77Å; H375-T378 PolarHBondContact O-OG1 3.35Å; H375-H379 AromaticContact CE1-NE2 3.39Å; H375-H379 PolarHBondContact CE1-NE2 3.4Å; H375-H379 AromaticContact NE2-CD2 3.93Å; H375-H379 AromaticContact NE2-NE2 3.26Å; H375-H379 PolarHBondContact NE2-NE2 3.42Å
376	R	93	Very high	94	Very high	100 Å²	100	71.6 Å²	71.6	38%	0.377	36%	0.358	S	S	.	.	H	α-helix	trans	-54.9	-30	176.8	-74.5	178.8	66.7	-120.9	-0.2	112.7	L372 H373 T378 H379 T380	L372-R376 HydrophobicContact CD1-CG 4.29Å; L372-R376 WeakPolarHBondContact O-CG 3.49Å; L372-R376 PolarHBondContact O-N 3.46Å; H373-R376 PolarHBondContact O-N 3.19Å; R376-T378 PolarHBondContact O-N 3.33Å; R376-H379 PolarHBondContact O-N 3.25Å; R376-T380 PolarHBondContact O-N 3.47Å; R376-T380 VanDerWaalsContact O-N 3.16Å
377	R	94.5	Very high	93.9	Very high	41 Å²	41	69.8 Å²	69.8	16%	0.155	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-19.1	174.2	-56.7	179.2	-174.6	-177	-3.7	113.8	H373 I374 H375 H379 T380 G381 E382 F385 S395	H373-R377 PolarHBondContact NE2-NH2 2.94Å; H373-R377 VanDerWaalsContact NE2-NH2 3.13Å; I374-R377 WeakPolarHBondContact O-CB 3.27Å; I374-R377 PolarHBondContact O-N 2.94Å; H375-R377 PolarHBondContact O-N 3.1Å; R377-H379 VanDerWaalsContact C-N 3.3Å; R377-T380 WeakPolarHBondContact CA-OG1 3.2Å; R377-G381 WeakPolarHBondContact O-CA 3.38Å; R377-G381 PolarHBondContact O-N 2.85Å; R377-E382 HydrophobicContact CB-CB 4.49Å; R377-E382 HydrophobicContact CG-CB 4.45Å; R377-E382 PolarHBondContact O-N 2.82Å; R377-F385 VanDerWaalsContact NH1-CE2 3.35Å; R377-S395 PolarHBondContact NH1-O 2.98Å
378	T	93.3	Very high	93.7	Very high	95 Å²	95	75.7 Å²	75.7	58%	0.583	38%	0.381	S	S	*	.	H	α-helix	trans	-74.3	-24.2	173.4	68	0	0	0	0	112.6	H375 R376	H375-T378 PolarHBondContact CE1-OG1 3.36Å; H375-T378 PolarHBondContact ND1-OG1 3.05Å; H375-T378 WeakPolarHBondContact O-CB 3.44Å; H375-T378 PolarHBondContact O-N 2.77Å; H375-T378 PolarHBondContact O-OG1 3.35Å; R376-T378 PolarHBondContact O-N 3.33Å
379	H	93.9	Very high	93.5	Very high	72 Å²	72	78.6 Å²	78.6	33%	0.333	39%	0.394	S	S	.	.	H	α-helix	trans	-87.8	-42.6	175.3	-63.1	-71.8	0	0	0	111.9	C359 Q361 C362 H375 R376 R377 G381	C359-H379 PolarHBondContact SG-NE2 3.27Å; Q361-H379 PolarHBondContact OE1-CD2 2.81Å; C362-H379 PolarHBondContact SG-NE2 3.09Å; C362-H379 VanDerWaalsContact SG-NE2 3.38Å; H375-H379 AromaticContact CE1-NE2 3.39Å; H375-H379 PolarHBondContact CE1-NE2 3.4Å; H375-H379 AromaticContact NE2-CD2 3.93Å; H375-H379 AromaticContact NE2-NE2 3.26Å; H375-H379 PolarHBondContact NE2-NE2 3.42Å; R376-H379 PolarHBondContact O-N 3.25Å; R377-H379 VanDerWaalsContact C-N 3.3Å; H379-G381 VanDerWaalsContact C-N 3.27Å; H379-G381 PolarHBondContact O-N 3.34Å
380	T	92.4	Very high	93.3	Very high	66 Å²	66	74.1 Å²	74.1	41%	0.405	38%	0.383	S	S	.	.	H	α-helix	trans	-75.8	-17.5	178.1	62.7	0	0	0	0	112.8	R376 R377 E382	R376-T380 PolarHBondContact O-N 3.47Å; R376-T380 VanDerWaalsContact O-N 3.16Å; R377-T380 WeakPolarHBondContact CA-OG1 3.2Å; T380-E382 PolarHBondContact O-N 3.33Å; T380-E382 WeakPolarHBondContact OG1-CB 3.32Å; T380-E382 WeakPolarHBondContact OG1-CG 3.36Å; T380-E382 PolarHBondContact OG1-N 3.04Å
381	G	91.2	Very high	93	Very high	47 Å²	47	78.3 Å²	78.3	49%	0.485	40%	0.401	S	S	.	.			trans	71.5	3.8	-173.4	0	0	0	0	0	113.9	R377 H379 K383	R377-G381 WeakPolarHBondContact O-CA 3.38Å; R377-G381 PolarHBondContact O-N 2.85Å; H379-G381 VanDerWaalsContact C-N 3.27Å; H379-G381 PolarHBondContact O-N 3.34Å; G381-K383 PolarHBondContact O-N 2.84Å
382	E	93.1	Very high	93	Very high	110 Å²	110	80.2 Å²	80.2	51%	0.514	41%	0.408	S	S	.	.			trans	-59	129.9	-176.8	-78.5	175.6	-171.6	0	0	112.2	R377 T380	R377-E382 HydrophobicContact CB-CB 4.49Å; R377-E382 HydrophobicContact CG-CB 4.45Å; R377-E382 PolarHBondContact O-N 2.82Å; T380-E382 PolarHBondContact O-N 3.33Å; T380-E382 WeakPolarHBondContact OG1-CB 3.32Å; T380-E382 WeakPolarHBondContact OG1-CG 3.36Å; T380-E382 PolarHBondContact OG1-N 3.04Å
383	K	94.4	Very high	92.9	Very high	119 Å²	119	80.9 Å²	80.9	52%	0.517	42%	0.415	S	S	.	.			trans	-128.5	76.7	177.3	-72.2	164.6	171.3	-176	0	109.9	G381 F385 A393 F394	G381-K383 PolarHBondContact O-N 2.84Å; K383-F385 PolarHBondContact O-N 3.09Å; K383-A393 HydrophobicContact CB-CB 3.49Å; K383-A393 VanDerWaalsContact CB-CB 3.49Å; K383-A393 HydrophobicContact CD-CB 4.24Å; K383-A393 WeakPolarHBondContact CD-O 3.18Å; K383-A393 HydrophobicContact CG-CB 4.44Å; K383-F394 CarbonylContact C-O 3.54Å; K383-F394 VanDerWaalsContact C-O 3.31Å; K383-F394 WeakPolarHBondContact CA-O 3.28Å
384	P	93.1	Very high	93	Very high	71 Å²	71	79.6 Å²	79.6	46%	0.461	41%	0.409	S	S	.	.			trans	-64.6	-23.4	-173.2	-22.9	34.9	0	0	0	113.8	K386	P384-K386 PolarHBondContact O-N 3.45Å
385	F	95.2	Very high	93	Very high	60 Å²	60	78.5 Å²	78.5	26%	0.263	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	93.2	-172.7	-54.1	-71	0	0	0	110.5	R377 K383 A393 F394 Y397 L400	R377-F385 VanDerWaalsContact NH1-CE2 3.35Å; K383-F385 PolarHBondContact O-N 3.09Å; F385-A393 CarbonylContact O-C 3.42Å; F385-A393 WeakPolarHBondContact O-CA 3.29Å; F385-F394 HydrophobicContact CB-CB 4.47Å; F385-F394 WeakPolarHBondContact CD2-O 3.28Å; F385-F394 PolarHBondContact N-O 2.63Å; F385-F394 VanDerWaalsContact N-O 3.15Å; F385-F394 PolarHBondContact O-N 2.82Å; F385-Y397 AromaticContact CD1-CD2 3.93Å; F385-Y397 HydrophobicContact CD1-CD2 3.93Å; F385-Y397 HydrophobicContact CD1-CG 4.47Å; F385-Y397 VanDerWaalsContact CD2-N 3.27Å; F385-Y397 HydrophobicContact CE1-CD2 4.18Å; F385-Y397 HydrophobicContact CE1-CG 4.44Å; F385-Y397 VanDerWaalsContact CE2-N 3.27Å; F385-L400 HydrophobicContact CB-CB 4.06Å; F385-L400 HydrophobicContact CB-CD2 3.77Å
386	K	93.8	Very high	93	Very high	149 Å²	149	80.7 Å²	80.7	65%	0.648	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.6	179.2	-62	-177.6	-179.9	179.2	0	111.5	P384 A393	P384-K386 PolarHBondContact O-N 3.45Å; K386-A393 HydrophobicContact CG-CB 3.95Å
387	C	94.2	Very high	93	Very high	5 Å²	5	82.5 Å²	82.5	3%	0.034	42%	0.424	C	S	.	.			trans	-89.6	121.9	169.5	-179.7	0	0	0	0	109.7	Q389 N391 K392 L400 H407	C387-Q389 PolarHBondContact O-N 3.14Å; C387-Q389 PolarHBondContact SG-N 3.38Å; C387-N391 WeakPolarHBondContact O-CA 3.48Å; C387-N391 PolarHBondContact O-N 2.86Å; C387-K392 WeakPolarHBondContact CB-O 3.38Å; C387-K392 PolarHBondContact N-O 3.47Å; C387-L400 HydrophobicContact CB-CD1 3.65Å; C387-H407 PolarHBondContact SG-NE2 3.4Å; C387-H407 VanDerWaalsContact SG-NE2 3.38Å
388	N	90.5	Very high	92.9	Very high	153 Å²	153	83.3 Å²	83.3	82%	0.818	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.3	-178.3	-59.9	-6.2	0	0	0	113.7
389	Q	89.9	Confident	93	Very high	125 Å²	125	83 Å²	83	58%	0.584	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-22.8	-176.6	-72.5	171.2	-22.8	0	0	114.1	C387 H407	C387-Q389 PolarHBondContact O-N 3.14Å; C387-Q389 PolarHBondContact SG-N 3.38Å; Q389-H407 PolarHBondContact OE1-CD2 3.38Å
390	C	90.7	Very high	93	Very high	47 Å²	47	80.2 Å²	80.2	32%	0.318	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.5	17.9	178.3	68.9	0	0	0	0	114.8	K392 H403 H407	C390-K392 PolarHBondContact O-N 3.18Å; C390-K392 VanDerWaalsContact SG-CG 3.6Å; C390-H403 PolarHBondContact SG-CE1 3.38Å; C390-H403 PolarHBondContact SG-NE2 3.47Å; C390-H407 VanDerWaalsContact SG-CE1 3.51Å; C390-H407 PolarHBondContact SG-NE2 2.83Å
391	N	87.5	Confident	93	Very high	146 Å²	146	80.5 Å²	80.5	78%	0.781	41%	0.412	S	S	*	.			trans	54.5	7.1	-179.4	-66.5	-28.2	0	0	0	115.7	C387 A393	C387-N391 WeakPolarHBondContact O-CA 3.48Å; C387-N391 PolarHBondContact O-N 2.86Å; N391-A393 PolarHBondContact O-N 3.25Å
392	K	93.9	Very high	93.1	Very high	124 Å²	124	80.5 Å²	80.5	54%	0.539	40%	0.4	S	S	.	.			trans	-67.6	132.1	175	-73.4	-176.5	-178	179.1	0	110.1	C387 C390 F394	C387-K392 WeakPolarHBondContact CB-O 3.38Å; C387-K392 PolarHBondContact N-O 3.47Å; C390-K392 PolarHBondContact O-N 3.18Å; C390-K392 VanDerWaalsContact SG-CG 3.6Å; K392-F394 HydrophobicContact CB-CE2 3.89Å; K392-F394 HydrophobicContact CB-CZ 4.1Å
393	A	94.5	Very high	93.1	Very high	29 Å²	29	76.3 Å²	76.3	24%	0.24	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	144.3	179.6	0	0	0	0	0	111.4	K383 F385 K386 N391	K383-A393 HydrophobicContact CB-CB 3.49Å; K383-A393 VanDerWaalsContact CB-CB 3.49Å; K383-A393 HydrophobicContact CD-CB 4.24Å; K383-A393 WeakPolarHBondContact CD-O 3.18Å; K383-A393 HydrophobicContact CG-CB 4.44Å; F385-A393 CarbonylContact O-C 3.42Å; F385-A393 WeakPolarHBondContact O-CA 3.29Å; K386-A393 HydrophobicContact CG-CB 3.95Å; N391-A393 PolarHBondContact O-N 3.25Å
394	F	95	Very high	93	Very high	44 Å²	44	76.4 Å²	76.4	19%	0.193	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.2	-177.6	-58.2	-93.1	0	0	0	110.8	K383 F385 K392 Q396 H399 L400 H403	K383-F394 CarbonylContact C-O 3.54Å; K383-F394 VanDerWaalsContact C-O 3.31Å; K383-F394 WeakPolarHBondContact CA-O 3.28Å; F385-F394 HydrophobicContact CB-CB 4.47Å; F385-F394 WeakPolarHBondContact CD2-O 3.28Å; F385-F394 PolarHBondContact N-O 2.63Å; F385-F394 VanDerWaalsContact N-O 3.15Å; F385-F394 PolarHBondContact O-N 2.82Å; K392-F394 HydrophobicContact CB-CE2 3.89Å; K392-F394 HydrophobicContact CB-CZ 4.1Å; F394-Q396 VanDerWaalsContact C-N 3.3Å; F394-H399 HydrophobicContact CB-CB 4.17Å; F394-H399 HydrophobicContact CD1-CB 3.76Å; F394-H399 HydrophobicContact CG-CB 4.2Å; F394-L400 HydrophobicContact CB-CB 4.31Å; F394-L400 HydrophobicContact CD2-CB 3.85Å; F394-L400 HydrophobicContact CD2-CD1 3.83Å; F394-L400 HydrophobicContact CD2-CG 4.46Å; F394-L400 HydrophobicContact CE2-CD1 4.01Å; F394-L400 HydrophobicContact CG-CB 4.25Å; F394-H403 HydrophobicContact CE1-CB 4.01Å; F394-H403 HydrophobicContact CE2-CB 3.87Å; F394-H403 AromaticContact CE2-CD2 3.18Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.46Å; F394-H403 AromaticContact CE2-CG 3.63Å; F394-H403 AromaticContact CE2-NE2 3.94Å; F394-H403 HydrophobicContact CZ-CB 3.43Å; F394-H403 VanDerWaalsContact CZ-CB 3.43Å; F394-H403 AromaticContact CZ-CD2 3.32Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.46Å; F394-H403 AromaticContact CZ-CG 3.27Å; F394-H403 AromaticContact CZ-ND1 4Å
395	S	93.8	Very high	93	Very high	29 Å²	29	74.6 Å²	74.6	20%	0.203	36%	0.362	C	S	.	.	S	Bend	trans	-76.5	-18.3	176	56.8	0	0	0	0	113.1	R377	R377-S395 PolarHBondContact NH1-O 2.98Å
396	Q	94.5	Very high	92.8	Very high	62 Å²	62	76 Å²	76	29%	0.29	38%	0.375	S	S	.	.	S	Bend	trans	-131.6	141.3	-179.8	-60.6	-177.5	36.2	0	0	111.2	I374 F394 S398 H399 L400	I374-Q396 HydrophobicContact CG2-CG 3.67Å; F394-Q396 VanDerWaalsContact C-N 3.3Å; Q396-S398 PolarHBondContact O-N 3.11Å; Q396-H399 PolarHBondContact O-N 3.29Å; Q396-L400 PolarHBondContact O-N 3.29Å
397	Y	94.5	Very high	92.8	Very high	139 Å²	139	72.3 Å²	72.3	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-37.9	-178.9	179.4	-102.1	0	0	0	112.8	F385 H399 L400 H401	F385-Y397 AromaticContact CD1-CD2 3.93Å; F385-Y397 HydrophobicContact CD1-CD2 3.93Å; F385-Y397 HydrophobicContact CD1-CG 4.47Å; F385-Y397 VanDerWaalsContact CD2-N 3.27Å; F385-Y397 HydrophobicContact CE1-CD2 4.18Å; F385-Y397 HydrophobicContact CE1-CG 4.44Å; F385-Y397 VanDerWaalsContact CE2-N 3.27Å; Y397-H399 VanDerWaalsContact C-N 3.26Å; Y397-H399 PolarHBondContact O-N 2.67Å; Y397-L400 WeakPolarHBondContact O-CB 3.31Å; Y397-L400 PolarHBondContact O-N 3.45Å; Y397-L400 VanDerWaalsContact O-N 3.13Å; Y397-H401 PolarHBondContact O-N 3.01Å
398	S	92.5	Very high	92.6	Very high	58 Å²	58	75.6 Å²	75.6	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-58	-38.7	176.7	52.5	0	0	0	0	112.3	Q396 H401 I402	Q396-S398 PolarHBondContact O-N 3.11Å; S398-H401 PolarHBondContact O-N 3.08Å; S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.01Å
399	H	94.2	Very high	92.6	Very high	87 Å²	87	70.7 Å²	70.7	40%	0.403	37%	0.366	S	S	.	.	H	α-helix	trans	-68.6	-40.2	176.4	-61.6	163.9	0	0	0	111.9	F394 Q396 Y397 H403	F394-H399 HydrophobicContact CB-CB 4.17Å; F394-H399 HydrophobicContact CD1-CB 3.76Å; F394-H399 HydrophobicContact CG-CB 4.2Å; Q396-H399 PolarHBondContact O-N 3.29Å; Y397-H399 VanDerWaalsContact C-N 3.26Å; Y397-H399 PolarHBondContact O-N 2.67Å; H399-H403 VanDerWaalsContact O-CB 3.24Å; H399-H403 WeakPolarHBondContact O-CB 3.41Å; H399-H403 PolarHBondContact O-N 3.3Å
400	L	94.3	Very high	92.7	Very high	15 Å²	15	70.1 Å²	70.1	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-45	171.6	173	63.6	0	0	0	110.9	F385 C387 F394 Q396 Y397 I402 H403 R404	F385-L400 HydrophobicContact CB-CB 4.06Å; F385-L400 HydrophobicContact CB-CD2 3.77Å; C387-L400 HydrophobicContact CB-CD1 3.65Å; F394-L400 HydrophobicContact CB-CB 4.31Å; F394-L400 HydrophobicContact CD2-CB 3.85Å; F394-L400 HydrophobicContact CD2-CD1 3.83Å; F394-L400 HydrophobicContact CD2-CG 4.46Å; F394-L400 HydrophobicContact CE2-CD1 4.01Å; F394-L400 HydrophobicContact CG-CB 4.25Å; Q396-L400 PolarHBondContact O-N 3.29Å; Y397-L400 WeakPolarHBondContact O-CB 3.31Å; Y397-L400 PolarHBondContact O-N 3.45Å; Y397-L400 VanDerWaalsContact O-N 3.13Å; L400-I402 PolarHBondContact O-N 3.29Å; L400-H403 CarbonylContact O-C 3.58Å; L400-H403 WeakPolarHBondContact O-CB 3.44Å; L400-H403 PolarHBondContact O-N 3.33Å; L400-H403 VanDerWaalsContact O-N 3.15Å; L400-R404 HydrophobicContact CD1-CG 4.26Å; L400-R404 WeakPolarHBondContact O-CG 3.4Å; L400-R404 PolarHBondContact O-N 3.47Å
401	H	93	Very high	92.8	Very high	71 Å²	71	73.4 Å²	73.4	33%	0.329	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-44.9	-179.4	-178	75.4	0	0	0	112.2	Y397 S398 H403 R404 R405	Y397-H401 PolarHBondContact O-N 3.01Å; S398-H401 PolarHBondContact O-N 3.08Å; H401-H403 VanDerWaalsContact C-N 3.31Å; H401-H403 PolarHBondContact O-N 3.44Å; H401-R404 PolarHBondContact O-N 3.29Å; H401-R405 PolarHBondContact NE2-NH2 3.2Å; H401-R405 VanDerWaalsContact NE2-NH2 3.15Å
402	I	92.2	Very high	93	Very high	48 Å²	48	70.2 Å²	70.2	25%	0.246	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-39.2	174.3	-64.8	164.6	0	0	0	110.5	S398 L400 R405 N424	S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.01Å; L400-I402 PolarHBondContact O-N 3.29Å; I402-R405 WeakPolarHBondContact O-CB 3.46Å; I402-R405 PolarHBondContact O-N 2.89Å; I402-N424 HydrophobicContact CG2-CB 4.19Å
403	H	93.7	Very high	93	Very high	21 Å²	21	67.9 Å²	67.9	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-38.7	176.9	167.2	55.3	0	0	0	112.7	C390 F394 H399 L400 H401 R405 T406 H407	C390-H403 PolarHBondContact SG-CE1 3.38Å; C390-H403 PolarHBondContact SG-NE2 3.47Å; F394-H403 HydrophobicContact CE1-CB 4.01Å; F394-H403 HydrophobicContact CE2-CB 3.87Å; F394-H403 AromaticContact CE2-CD2 3.18Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.46Å; F394-H403 AromaticContact CE2-CG 3.63Å; F394-H403 AromaticContact CE2-NE2 3.94Å; F394-H403 HydrophobicContact CZ-CB 3.43Å; F394-H403 VanDerWaalsContact CZ-CB 3.43Å; F394-H403 AromaticContact CZ-CD2 3.32Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.46Å; F394-H403 AromaticContact CZ-CG 3.27Å; F394-H403 AromaticContact CZ-ND1 4Å; H399-H403 VanDerWaalsContact O-CB 3.24Å; H399-H403 WeakPolarHBondContact O-CB 3.41Å; H399-H403 PolarHBondContact O-N 3.3Å; L400-H403 CarbonylContact O-C 3.58Å; L400-H403 WeakPolarHBondContact O-CB 3.44Å; L400-H403 PolarHBondContact O-N 3.33Å; L400-H403 VanDerWaalsContact O-N 3.15Å; H401-H403 VanDerWaalsContact C-N 3.31Å; H401-H403 PolarHBondContact O-N 3.44Å; H403-R405 PolarHBondContact O-N 3.42Å; H403-T406 PolarHBondContact ND1-OG1 2.9Å; H403-T406 WeakPolarHBondContact O-CB 3.41Å; H403-T406 PolarHBondContact O-N 3.46Å; H403-T406 PolarHBondContact O-OG1 3.44Å; H403-H407 AromaticContact CE1-NE2 3.43Å; H403-H407 PolarHBondContact CE1-NE2 3.35Å; H403-H407 AromaticContact NE2-NE2 3.35Å; H403-H407 PolarHBondContact NE2-NE2 3.21Å
404	R	92.1	Very high	92.9	Very high	122 Å²	122	72.9 Å²	72.9	46%	0.46	36%	0.364	S	S	.	.	H	α-helix	trans	-55.6	-29.7	176.6	-75.5	-179.6	65.2	-134.3	-5.4	112.7	L400 H401 T406 H407 T408	L400-R404 HydrophobicContact CD1-CG 4.26Å; L400-R404 WeakPolarHBondContact O-CG 3.4Å; L400-R404 PolarHBondContact O-N 3.47Å; H401-R404 PolarHBondContact O-N 3.29Å; R404-T406 PolarHBondContact O-N 3.07Å; R404-H407 WeakPolarHBondContact O-CB 3.48Å; R404-H407 PolarHBondContact O-N 2.79Å; R404-T408 PolarHBondContact O-N 3.28Å
405	R	93.3	Very high	92.9	Very high	32 Å²	32	71 Å²	71	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-19.2	174.3	-58.7	179.4	-175.1	-179.8	-3.7	113.8	H401 I402 H403 H407 T408 G409 E410 S423	H401-R405 PolarHBondContact NE2-NH2 3.2Å; H401-R405 VanDerWaalsContact NE2-NH2 3.15Å; I402-R405 WeakPolarHBondContact O-CB 3.46Å; I402-R405 PolarHBondContact O-N 2.89Å; H403-R405 PolarHBondContact O-N 3.42Å; R405-H407 VanDerWaalsContact C-N 3.25Å; R405-H407 PolarHBondContact O-N 3.41Å; R405-T408 WeakPolarHBondContact CA-OG1 3.34Å; R405-G409 WeakPolarHBondContact O-CA 3.47Å; R405-G409 PolarHBondContact O-N 2.77Å; R405-E410 HydrophobicContact CB-CB 4.49Å; R405-E410 HydrophobicContact CG-CB 4.45Å; R405-E410 PolarHBondContact O-N 3.16Å; R405-S423 WeakPolarHBondContact CD-O 3.32Å; R405-S423 PolarHBondContact NH1-O 2.94Å
406	T	91.7	Very high	92.8	Very high	90 Å²	90	75.7 Å²	75.7	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-73.1	-20.4	172.6	68.6	0	0	0	0	112.7	H403 R404	H403-T406 PolarHBondContact ND1-OG1 2.9Å; H403-T406 WeakPolarHBondContact O-CB 3.41Å; H403-T406 PolarHBondContact O-N 3.46Å; H403-T406 PolarHBondContact O-OG1 3.44Å; R404-T406 PolarHBondContact O-N 3.07Å
407	H	92.6	Very high	92.6	Very high	72 Å²	72	77.5 Å²	77.5	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-90.3	-40.9	175.2	-62	-62.3	0	0	0	112.2	C387 Q389 C390 H403 R404 R405 G409	C387-H407 PolarHBondContact SG-NE2 3.4Å; C387-H407 VanDerWaalsContact SG-NE2 3.38Å; Q389-H407 PolarHBondContact OE1-CD2 3.38Å; C390-H407 VanDerWaalsContact SG-CE1 3.51Å; C390-H407 PolarHBondContact SG-NE2 2.83Å; H403-H407 AromaticContact CE1-NE2 3.43Å; H403-H407 PolarHBondContact CE1-NE2 3.35Å; H403-H407 AromaticContact NE2-NE2 3.35Å; H403-H407 PolarHBondContact NE2-NE2 3.21Å; R404-H407 WeakPolarHBondContact O-CB 3.48Å; R404-H407 PolarHBondContact O-N 2.79Å; R405-H407 VanDerWaalsContact C-N 3.25Å; R405-H407 PolarHBondContact O-N 3.41Å; H407-G409 VanDerWaalsContact C-N 3.27Å; H407-G409 PolarHBondContact O-N 2.92Å
408	T	90.8	Very high	92.5	Very high	74 Å²	74	72.6 Å²	72.6	45%	0.454	37%	0.373	S	S	.	.	H	α-helix	trans	-77.1	-16.7	177.4	61.3	0	0	0	0	112.7	R404 R405 E410	R404-T408 PolarHBondContact O-N 3.28Å; R405-T408 WeakPolarHBondContact CA-OG1 3.34Å; T408-E410 PolarHBondContact O-N 3.19Å; T408-E410 WeakPolarHBondContact OG1-CB 3.44Å; T408-E410 WeakPolarHBondContact OG1-CG 3.39Å; T408-E410 PolarHBondContact OG1-N 3.48Å
409	G	89.7	Confident	92.5	Very high	50 Å²	50	76.5 Å²	76.5	52%	0.515	39%	0.389	S	S	.	.			trans	73.1	0.6	-173.1	0	0	0	0	0	113.9	R405 H407 K411	R405-G409 WeakPolarHBondContact O-CA 3.47Å; R405-G409 PolarHBondContact O-N 2.77Å; H407-G409 VanDerWaalsContact C-N 3.27Å; H407-G409 PolarHBondContact O-N 2.92Å; G409-K411 PolarHBondContact O-N 2.78Å
410	E	91.9	Very high	92.5	Very high	112 Å²	112	78.4 Å²	78.4	52%	0.523	40%	0.396	S	S	.	.			trans	-60.7	127.8	-177.4	-74.9	176.8	176.5	0	0	112.1	R405 T408	R405-E410 HydrophobicContact CB-CB 4.49Å; R405-E410 HydrophobicContact CG-CB 4.45Å; R405-E410 PolarHBondContact O-N 3.16Å; T408-E410 PolarHBondContact O-N 3.19Å; T408-E410 WeakPolarHBondContact OG1-CB 3.44Å; T408-E410 WeakPolarHBondContact OG1-CG 3.39Å; T408-E410 PolarHBondContact OG1-N 3.48Å
411	K	92.8	Very high	92.5	Very high	116 Å²	116	80.3 Å²	80.3	50%	0.504	41%	0.409	S	S	.	.			trans	-128.9	74.5	177.2	-69.8	172.4	-178.9	178.1	0	110.5	G409 Y413 T421 F422	G409-K411 PolarHBondContact O-N 2.78Å; K411-Y413 PolarHBondContact O-N 3.04Å; K411-Y413 VanDerWaalsContact O-N 3.15Å; K411-T421 WeakPolarHBondContact CB-OG1 3.28Å; K411-T421 WeakPolarHBondContact CD-O 3.4Å; K411-T421 WeakPolarHBondContact CD-OG1 3.43Å; K411-T421 WeakPolarHBondContact O-CB 3.28Å; K411-F422 CarbonylContact C-O 3.53Å; K411-F422 VanDerWaalsContact C-O 3.23Å; K411-F422 VanDerWaalsContact CA-O 3.3Å; K411-F422 WeakPolarHBondContact CA-O 3.38Å
412	P	91.8	Very high	92.5	Very high	79 Å²	79	78.9 Å²	78.9	51%	0.513	40%	0.402	S	S	.	.			trans	-66.2	-20.2	-171.4	-21.3	34	0	0	0	114.2	K414	P412-K414 PolarHBondContact O-N 3.01Å
413	Y	94.4	Very high	92.5	Very high	76 Å²	76	78.3 Å²	78.3	30%	0.298	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	93.1	-175.3	-57.4	-73.8	0	0	0	110.1	K411 T421 F422 H425	K411-Y413 PolarHBondContact O-N 3.04Å; K411-Y413 VanDerWaalsContact O-N 3.15Å; Y413-T421 CarbonylContact O-C 3.34Å; Y413-T421 WeakPolarHBondContact O-CA 3.42Å; Y413-F422 WeakPolarHBondContact CB-O 3.26Å; Y413-F422 WeakPolarHBondContact CD2-O 3.4Å; Y413-F422 PolarHBondContact N-O 3.38Å; Y413-F422 VanDerWaalsContact N-O 3.11Å; Y413-F422 PolarHBondContact O-N 3.29Å; Y413-H425 HydrophobicContact CD1-CB 4.08Å; Y413-H425 VanDerWaalsContact CD2-N 3.33Å; Y413-H425 HydrophobicContact CE1-CB 3.79Å; Y413-H425 HydrophobicContact CE2-CB 4.29Å; Y413-H425 HydrophobicContact CG-CB 4.48Å
414	K	92.6	Very high	92.4	Very high	134 Å²	134	79.3 Å²	79.3	58%	0.583	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.1	176.3	-174.8	174.5	-179.7	-178.7	0	111.2	P412 T421	P412-K414 PolarHBondContact O-N 3.01Å; K414-T421 HydrophobicContact CB-CG2 4.12Å; K414-T421 HydrophobicContact CG-CG2 4.11Å
415	C	94.2	Very high	92.5	Very high	3 Å²	3	78.1 Å²	78.1	2%	0.02	41%	0.407	C	S	.	.			trans	-74.2	138.4	166.4	-173.9	0	0	0	0	110.1	Q417 C418 K420 L428 H435	C415-Q417 VanDerWaalsContact C-N 3.34Å; C415-Q417 PolarHBondContact SG-N 3.17Å; C415-Q417 VanDerWaalsContact SG-N 3.42Å; C415-C418 CarbonylContact C-O 3.53Å; C415-C418 WeakPolarHBondContact CB-O 3.41Å; C415-K420 WeakPolarHBondContact CB-O 3.33Å; C415-K420 PolarHBondContact N-O 2.99Å; C415-L428 HydrophobicContact CB-CD1 3.91Å; C415-H435 PolarHBondContact SG-NE2 3.34Å
416	N	91.7	Very high	92.4	Very high	128 Å²	128	80.1 Å²	80.1	68%	0.684	43%	0.426	S	S	*	.	S	Bend	trans	-83.3	-11.1	177	64.4	-31.9	0	0	0	113.6
417	Q	90.2	Very high	92.4	Very high	101 Å²	101	78.5 Å²	78.5	47%	0.472	42%	0.416	S	S	.	.	S	Bend	trans	-109.5	-4.7	-177.4	-71.1	168.9	-24.3	0	0	113.1	C415 H435	C415-Q417 VanDerWaalsContact C-N 3.34Å; C415-Q417 PolarHBondContact SG-N 3.17Å; C415-Q417 VanDerWaalsContact SG-N 3.42Å; Q417-H435 HydrophobicContact CB-CB 4.46Å; Q417-H435 PolarHBondContact OE1-CD2 3.25Å
418	C	93.5	Very high	92.4	Very high	35 Å²	35	75.9 Å²	75.9	24%	0.236	41%	0.405	C	S	.	.	S	Bend	trans	-160.1	170.3	170	68.9	0	0	0	0	110.9	C415 K420 H431 H435	C415-C418 CarbonylContact C-O 3.53Å; C415-C418 WeakPolarHBondContact CB-O 3.41Å; C418-K420 PolarHBondContact O-N 3.42Å; C418-K420 VanDerWaalsContact O-N 3.07Å; C418-H431 PolarHBondContact SG-NE2 3.45Å; C418-H435 PolarHBondContact SG-NE2 3.36Å; C418-H435 VanDerWaalsContact SG-NE2 3.37Å
419	D	91.9	Very high	92.5	Very high	141 Å²	141	75.4 Å²	75.4	75%	0.754	40%	0.398	S	S	*	.	S	Bend	trans	-76.5	7.3	-177.8	-59.5	-54.2	0	0	0	114.9	T421	D419-T421 PolarHBondContact O-N 3.26Å
420	K	94	Very high	92.6	Very high	126 Å²	126	75.2 Å²	75.2	55%	0.548	39%	0.386	S	S	.	.			trans	-72.2	128	179.8	-65.7	-178.8	-177.2	176.4	0	110.7	C415 C418 F422	C415-K420 WeakPolarHBondContact CB-O 3.33Å; C415-K420 PolarHBondContact N-O 2.99Å; C418-K420 PolarHBondContact O-N 3.42Å; C418-K420 VanDerWaalsContact O-N 3.07Å; K420-F422 HydrophobicContact CB-CE2 3.77Å; K420-F422 HydrophobicContact CB-CZ 3.8Å
421	T	93.9	Very high	92.7	Very high	55 Å²	55	70.7 Å²	70.7	34%	0.337	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.4	174.3	60	0	0	0	0	110.7	K411 Y413 K414 D419	K411-T421 WeakPolarHBondContact CB-OG1 3.28Å; K411-T421 WeakPolarHBondContact CD-O 3.4Å; K411-T421 WeakPolarHBondContact CD-OG1 3.43Å; K411-T421 WeakPolarHBondContact O-CB 3.28Å; Y413-T421 CarbonylContact O-C 3.34Å; Y413-T421 WeakPolarHBondContact O-CA 3.42Å; K414-T421 HydrophobicContact CB-CG2 4.12Å; K414-T421 HydrophobicContact CG-CG2 4.11Å; D419-T421 PolarHBondContact O-N 3.26Å
422	F	93.7	Very high	92.7	Very high	41 Å²	41	69.4 Å²	69.4	18%	0.18	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.5	-176.2	-57.5	-89.9	0	0	0	111.5	K411 Y413 K420 N424 L428 H431	K411-F422 CarbonylContact C-O 3.53Å; K411-F422 VanDerWaalsContact C-O 3.23Å; K411-F422 VanDerWaalsContact CA-O 3.3Å; K411-F422 WeakPolarHBondContact CA-O 3.38Å; Y413-F422 WeakPolarHBondContact CB-O 3.26Å; Y413-F422 WeakPolarHBondContact CD2-O 3.4Å; Y413-F422 PolarHBondContact N-O 3.38Å; Y413-F422 VanDerWaalsContact N-O 3.11Å; Y413-F422 PolarHBondContact O-N 3.29Å; K420-F422 HydrophobicContact CB-CE2 3.77Å; K420-F422 HydrophobicContact CB-CZ 3.8Å; F422-N424 VanDerWaalsContact C-N 3.33Å; F422-L428 HydrophobicContact CB-CB 4.22Å; F422-L428 HydrophobicContact CD2-CB 3.87Å; F422-L428 HydrophobicContact CD2-CD1 3.73Å; F422-L428 HydrophobicContact CD2-CG 4.4Å; F422-L428 HydrophobicContact CE2-CD1 3.93Å; F422-L428 HydrophobicContact CG-CB 4.18Å; F422-H431 HydrophobicContact CE1-CB 3.91Å; F422-H431 HydrophobicContact CE2-CB 3.97Å; F422-H431 AromaticContact CE2-CD2 3.14Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.37Å; F422-H431 AromaticContact CE2-CG 3.66Å; F422-H431 AromaticContact CE2-NE2 3.87Å; F422-H431 HydrophobicContact CZ-CB 3.45Å; F422-H431 VanDerWaalsContact CZ-CB 3.45Å; F422-H431 AromaticContact CZ-CD2 3.2Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.48Å; F422-H431 AromaticContact CZ-CG 3.21Å; F422-H431 AromaticContact CZ-ND1 3.96Å; F422-H431 AromaticContact CZ-NE2 3.86Å
423	S	92.2	Very high	92.7	Very high	36 Å²	36	67.7 Å²	67.7	25%	0.252	34%	0.34	S	S	.	.	S	Bend	trans	-78.7	-16.9	177	56.6	0	0	0	0	113.5	R405	R405-S423 WeakPolarHBondContact CD-O 3.32Å; R405-S423 PolarHBondContact NH1-O 2.94Å
424	N	92	Very high	92.6	Very high	43 Å²	43	68.5 Å²	68.5	23%	0.23	35%	0.354	C	S	.	.	S	Bend	trans	-133.9	142.8	-178.4	-175.1	7.7	0	0	0	111.6	I402 F422 S426 T427 L428	I402-N424 HydrophobicContact CG2-CB 4.19Å; F422-N424 VanDerWaalsContact C-N 3.33Å; N424-S426 VanDerWaalsContact C-N 3.33Å; N424-S426 PolarHBondContact O-N 3.39Å; N424-S426 PolarHBondContact OD1-N 3.39Å; N424-T427 PolarHBondContact O-N 3.33Å; N424-T427 PolarHBondContact O-OG1 3.1Å; N424-L428 PolarHBondContact O-N 2.88Å
425	H	93.4	Very high	92.6	Very high	96 Å²	96	65.7 Å²	65.7	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-39.2	176.1	179.5	-91.1	0	0	0	112.2	Y413 T427 L428 Q429	Y413-H425 HydrophobicContact CD1-CB 4.08Å; Y413-H425 VanDerWaalsContact CD2-N 3.33Å; Y413-H425 HydrophobicContact CE1-CB 3.79Å; Y413-H425 HydrophobicContact CE2-CB 4.29Å; Y413-H425 HydrophobicContact CG-CB 4.48Å; H425-T427 VanDerWaalsContact C-N 3.27Å; H425-T427 PolarHBondContact O-N 2.89Å; H425-L428 PolarHBondContact O-N 2.94Å; H425-Q429 PolarHBondContact O-N 3.01Å
426	S	90.7	Very high	92.5	Very high	74 Å²	74	68.7 Å²	68.7	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-35.5	-179.7	-54.6	0	0	0	0	112.5	N424 Q429 T430	N424-S426 VanDerWaalsContact C-N 3.33Å; N424-S426 PolarHBondContact O-N 3.39Å; N424-S426 PolarHBondContact OD1-N 3.39Å; S426-Q429 PolarHBondContact O-N 3.42Å; S426-T430 WeakPolarHBondContact O-CG2 3.17Å; S426-T430 PolarHBondContact O-N 3.04Å; S426-T430 VanDerWaalsContact O-N 3.08Å; S426-T430 PolarHBondContact O-OG1 3.48Å
427	T	91.9	Very high	92.4	Very high	56 Å²	56	65 Å²	65	34%	0.344	35%	0.352	S	S	.	.	H	α-helix	trans	-73.1	-40.1	177.3	50.3	0	0	0	0	111.2	N424 H425 Q429 T430 H431	N424-T427 PolarHBondContact O-N 3.33Å; N424-T427 PolarHBondContact O-OG1 3.1Å; H425-T427 VanDerWaalsContact C-N 3.27Å; H425-T427 PolarHBondContact O-N 2.89Å; T427-Q429 PolarHBondContact O-N 3.44Å; T427-T430 WeakPolarHBondContact CA-OG1 3.5Å; T427-T430 PolarHBondContact O-N 3.34Å; T427-T430 PolarHBondContact O-OG1 2.89Å; T427-H431 WeakPolarHBondContact O-CB 3.49Å; T427-H431 PolarHBondContact O-N 2.87Å
428	L	93.8	Very high	92.5	Very high	17 Å²	17	65 Å²	65	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-48.4	169.3	172.6	63.3	0	0	0	111.1	C415 F422 N424 H425 T430 H431 R432	C415-L428 HydrophobicContact CB-CD1 3.91Å; F422-L428 HydrophobicContact CB-CB 4.22Å; F422-L428 HydrophobicContact CD2-CB 3.87Å; F422-L428 HydrophobicContact CD2-CD1 3.73Å; F422-L428 HydrophobicContact CD2-CG 4.4Å; F422-L428 HydrophobicContact CE2-CD1 3.93Å; F422-L428 HydrophobicContact CG-CB 4.18Å; N424-L428 PolarHBondContact O-N 2.88Å; H425-L428 PolarHBondContact O-N 2.94Å; L428-T430 VanDerWaalsContact C-N 3.34Å; L428-T430 PolarHBondContact O-N 2.75Å; L428-H431 CarbonylContact O-C 3.52Å; L428-H431 WeakPolarHBondContact O-CA 3.28Å; L428-H431 WeakPolarHBondContact O-CB 3.43Å; L428-H431 PolarHBondContact O-N 3.05Å; L428-R432 HydrophobicContact CD1-CG 4.13Å; L428-R432 HydrophobicContact CG-CG 4.41Å; L428-R432 WeakPolarHBondContact O-CG 3.43Å; L428-R432 PolarHBondContact O-N 3.26Å
429	Q	92.5	Very high	92.6	Very high	65 Å²	65	69.1 Å²	69.1	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-39.6	-178.6	-174.1	61.6	15.1	0	0	112.2	H425 S426 T427 H431 R432	H425-Q429 PolarHBondContact O-N 3.01Å; S426-Q429 PolarHBondContact O-N 3.42Å; T427-Q429 PolarHBondContact O-N 3.44Å; Q429-H431 VanDerWaalsContact C-N 3.3Å; Q429-R432 PolarHBondContact O-N 3.43Å
430	T	92.3	Very high	92.6	Very high	45 Å²	45	65.8 Å²	65.8	28%	0.276	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-31.2	172.9	54.4	0	0	0	0	112.9	S426 T427 L428 R433	S426-T430 WeakPolarHBondContact O-CG2 3.17Å; S426-T430 PolarHBondContact O-N 3.04Å; S426-T430 VanDerWaalsContact O-N 3.08Å; S426-T430 PolarHBondContact O-OG1 3.48Å; T427-T430 WeakPolarHBondContact CA-OG1 3.5Å; T427-T430 PolarHBondContact O-N 3.34Å; T427-T430 PolarHBondContact O-OG1 2.89Å; L428-T430 VanDerWaalsContact C-N 3.34Å; L428-T430 PolarHBondContact O-N 2.75Å; T430-R433 WeakPolarHBondContact O-CB 3.43Å
431	H	93.5	Very high	92.6	Very high	17 Å²	17	63.4 Å²	63.4	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-72	-39.3	175.7	164.3	57.4	0	0	0	111.9	C418 F422 T427 L428 Q429 R433 T434 H435	C418-H431 PolarHBondContact SG-NE2 3.45Å; F422-H431 HydrophobicContact CE1-CB 3.91Å; F422-H431 HydrophobicContact CE2-CB 3.97Å; F422-H431 AromaticContact CE2-CD2 3.14Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.37Å; F422-H431 AromaticContact CE2-CG 3.66Å; F422-H431 AromaticContact CE2-NE2 3.87Å; F422-H431 HydrophobicContact CZ-CB 3.45Å; F422-H431 VanDerWaalsContact CZ-CB 3.45Å; F422-H431 AromaticContact CZ-CD2 3.2Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.48Å; F422-H431 AromaticContact CZ-CG 3.21Å; F422-H431 AromaticContact CZ-ND1 3.96Å; F422-H431 AromaticContact CZ-NE2 3.86Å; T427-H431 WeakPolarHBondContact O-CB 3.49Å; T427-H431 PolarHBondContact O-N 2.87Å; L428-H431 CarbonylContact O-C 3.52Å; L428-H431 WeakPolarHBondContact O-CA 3.28Å; L428-H431 WeakPolarHBondContact O-CB 3.43Å; L428-H431 PolarHBondContact O-N 3.05Å; Q429-H431 VanDerWaalsContact C-N 3.3Å; H431-R433 PolarHBondContact O-N 3.15Å; H431-T434 PolarHBondContact ND1-OG1 3.33Å; H431-T434 WeakPolarHBondContact O-CB 3.45Å; H431-T434 WeakPolarHBondContact O-CG2 3.35Å; H431-T434 PolarHBondContact O-N 3.26Å; H431-T434 PolarHBondContact O-OG1 2.93Å; H431-H435 AromaticContact CE1-CD2 3.96Å; H431-H435 AromaticContact CE1-NE2 3.36Å; H431-H435 PolarHBondContact CE1-NE2 2.95Å; H431-H435 AromaticContact NE2-CD2 3.94Å; H431-H435 AromaticContact NE2-NE2 3.33Å; H431-H435 PolarHBondContact NE2-NE2 2.9Å
432	R	91.8	Very high	92.7	Very high	90 Å²	90	68.7 Å²	68.7	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-53.8	-30.8	176.3	-73.2	179.8	66.3	-131.5	-2.4	112.8	L428 Q429 T434 H435 T436	L428-R432 HydrophobicContact CD1-CG 4.13Å; L428-R432 HydrophobicContact CG-CG 4.41Å; L428-R432 WeakPolarHBondContact O-CG 3.43Å; L428-R432 PolarHBondContact O-N 3.26Å; Q429-R432 PolarHBondContact O-N 3.43Å; R432-T434 PolarHBondContact O-N 3.45Å; R432-H435 PolarHBondContact O-N 2.92Å; R432-T436 PolarHBondContact O-N 2.95Å; R432-T436 VanDerWaalsContact O-N 3.15Å
433	R	93.5	Very high	92.7	Very high	42 Å²	42	67.3 Å²	67.3	16%	0.158	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-20.1	173.6	-62	179.7	179.3	164.7	-0.1	114.3	T430 H431 H435 T436 G437 E438 S451	T430-R433 WeakPolarHBondContact O-CB 3.43Å; H431-R433 PolarHBondContact O-N 3.15Å; R433-H435 VanDerWaalsContact C-N 3.29Å; R433-T436 WeakPolarHBondContact CA-OG1 3.42Å; R433-G437 WeakPolarHBondContact O-CA 3.5Å; R433-G437 PolarHBondContact O-N 3.11Å; R433-E438 HydrophobicContact CG-CB 4.34Å; R433-E438 PolarHBondContact O-N 3.34Å; R433-S451 WeakPolarHBondContact CD-O 3.45Å; R433-S451 PolarHBondContact NH1-O 2.85Å
434	T	92.2	Very high	92.7	Very high	94 Å²	94	71.9 Å²	71.9	58%	0.577	38%	0.376	S	S	*	.	H	α-helix	trans	-74	-24.2	174.1	67.4	0	0	0	0	112.4	H431 R432	H431-T434 PolarHBondContact ND1-OG1 3.33Å; H431-T434 WeakPolarHBondContact O-CB 3.45Å; H431-T434 WeakPolarHBondContact O-CG2 3.35Å; H431-T434 PolarHBondContact O-N 3.26Å; H431-T434 PolarHBondContact O-OG1 2.93Å; R432-T434 PolarHBondContact O-N 3.45Å
435	H	92.8	Very high	92.6	Very high	75 Å²	75	74.7 Å²	74.7	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-88.8	-41.8	175.3	-64.1	-70.6	0	0	0	111.9	C415 Q417 C418 H431 R432 R433 G437	C415-H435 PolarHBondContact SG-NE2 3.34Å; Q417-H435 HydrophobicContact CB-CB 4.46Å; Q417-H435 PolarHBondContact OE1-CD2 3.25Å; C418-H435 PolarHBondContact SG-NE2 3.36Å; C418-H435 VanDerWaalsContact SG-NE2 3.37Å; H431-H435 AromaticContact CE1-CD2 3.96Å; H431-H435 AromaticContact CE1-NE2 3.36Å; H431-H435 PolarHBondContact CE1-NE2 2.95Å; H431-H435 AromaticContact NE2-CD2 3.94Å; H431-H435 AromaticContact NE2-NE2 3.33Å; H431-H435 PolarHBondContact NE2-NE2 2.9Å; R432-H435 PolarHBondContact O-N 2.92Å; R433-H435 VanDerWaalsContact C-N 3.29Å; H435-G437 VanDerWaalsContact C-N 3.26Å; H435-G437 PolarHBondContact O-N 2.84Å
436	T	91.2	Very high	92.7	Very high	65 Å²	65	71.9 Å²	71.9	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-77.1	-14.2	179.1	62.5	0	0	0	0	113.1	R432 R433 E438	R432-T436 PolarHBondContact O-N 2.95Å; R432-T436 VanDerWaalsContact O-N 3.15Å; R433-T436 WeakPolarHBondContact CA-OG1 3.42Å; T436-E438 PolarHBondContact O-N 2.72Å; T436-E438 VanDerWaalsContact O-N 3.14Å; T436-E438 WeakPolarHBondContact OG1-CB 3.48Å; T436-E438 WeakPolarHBondContact OG1-CG 3.47Å; T436-E438 PolarHBondContact OG1-N 3.41Å
437	G	90	Very high	92.7	Very high	50 Å²	50	76.6 Å²	76.6	52%	0.515	40%	0.398	S	S	.	.			trans	68.7	3	-172.8	0	0	0	0	0	114	R433 H435 K439	R433-G437 WeakPolarHBondContact O-CA 3.5Å; R433-G437 PolarHBondContact O-N 3.11Å; H435-G437 VanDerWaalsContact C-N 3.26Å; H435-G437 PolarHBondContact O-N 2.84Å; G437-K439 PolarHBondContact O-N 2.82Å
438	E	92.7	Very high	92.8	Very high	102 Å²	102	80.2 Å²	80.2	48%	0.477	41%	0.409	S	S	.	.			trans	-59.2	126.2	-176.4	-79.2	178.5	-172.3	0	0	111.9	R433 T436 P440	R433-E438 HydrophobicContact CG-CB 4.34Å; R433-E438 PolarHBondContact O-N 3.34Å; T436-E438 PolarHBondContact O-N 2.72Å; T436-E438 VanDerWaalsContact O-N 3.14Å; T436-E438 WeakPolarHBondContact OG1-CB 3.48Å; T436-E438 WeakPolarHBondContact OG1-CG 3.47Å; T436-E438 PolarHBondContact OG1-N 3.41Å; E438-P440 WeakPolarHBondContact O-CD 3.44Å
439	K	94	Very high	92.8	Very high	122 Å²	122	80.5 Å²	80.5	53%	0.53	41%	0.414	S	S	.	.			trans	-124.3	76.3	177	-73.1	163.5	169.9	-176	0	110.3	G437 Y441 A449 F450	G437-K439 PolarHBondContact O-N 2.82Å; K439-Y441 PolarHBondContact O-N 3.42Å; K439-A449 HydrophobicContact CB-CB 3.53Å; K439-A449 HydrophobicContact CD-CB 4.31Å; K439-A449 VanDerWaalsContact CD-O 3.27Å; K439-A449 WeakPolarHBondContact CD-O 3.43Å; K439-A449 HydrophobicContact CG-CB 4.47Å; K439-F450 CarbonylContact C-O 3.34Å; K439-F450 WeakPolarHBondContact CA-O 3.48Å
440	P	92.3	Very high	92.9	Very high	70 Å²	70	79.5 Å²	79.5	46%	0.455	41%	0.409	S	S	.	.			trans	-66.7	-20.2	-173.3	-21.4	34.2	0	0	0	114.2	E438 K442	E438-P440 WeakPolarHBondContact O-CD 3.44Å; P440-K442 PolarHBondContact O-N 2.89Å
441	Y	95.2	Very high	93	Very high	77 Å²	77	79.2 Å²	79.2	30%	0.302	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	89.8	-174.8	-54.4	-74.7	0	0	0	109.9	K439 A449 F450 H453	K439-Y441 PolarHBondContact O-N 3.42Å; Y441-A449 CarbonylContact O-C 3.56Å; Y441-A449 WeakPolarHBondContact O-CA 3.33Å; Y441-F450 WeakPolarHBondContact CD2-O 3.07Å; Y441-F450 PolarHBondContact N-O 3.47Å; Y441-F450 VanDerWaalsContact N-O 3.17Å; Y441-F450 PolarHBondContact O-N 3Å; Y441-H453 HydrophobicContact CD1-CB 3.99Å; Y441-H453 HydrophobicContact CD2-CB 4.47Å; Y441-H453 VanDerWaalsContact CD2-N 3.33Å; Y441-H453 HydrophobicContact CE1-CB 3.75Å; Y441-H453 HydrophobicContact CE2-CB 4.24Å; Y441-H453 VanDerWaalsContact CE2-N 3.28Å; Y441-H453 HydrophobicContact CG-CB 4.35Å
442	K	94.1	Very high	93	Very high	165 Å²	165	84.6 Å²	84.6	72%	0.717	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.7	177.5	-60.9	-174.4	178.1	-175.3	0	111	P440 A449	P440-K442 PolarHBondContact O-N 2.89Å; K442-A449 HydrophobicContact CG-CB 4Å
443	C	94.5	Very high	93.1	Very high	12 Å²	12	84.7 Å²	84.7	8%	0.081	43%	0.432	C	S	.	.			trans	-72.7	143.6	164.8	-168.5	0	0	0	0	109	Q445 C446 K448 L456 H459 H463	C443-Q445 PolarHBondContact SG-N 2.87Å; C443-C446 VanDerWaalsContact O-O 3.05Å; C443-K448 VanDerWaalsContact CB-O 3.27Å; C443-K448 WeakPolarHBondContact CB-O 3.37Å; C443-K448 PolarHBondContact N-O 2.99Å; C443-L456 HydrophobicContact CB-CD1 3.9Å; C443-H459 PolarHBondContact SG-NE2 2.84Å; C443-H463 PolarHBondContact SG-NE2 3.05Å; C443-H463 VanDerWaalsContact SG-NE2 3.43Å
444	N	92.3	Very high	93	Very high	133 Å²	133	85.8 Å²	85.8	71%	0.711	45%	0.446	S	S	*	.	S	Bend	trans	-91.6	-8.7	176	64.3	-32.1	0	0	0	112.8
445	Q	90.8	Very high	93	Very high	101 Å²	101	83.6 Å²	83.6	47%	0.472	43%	0.433	S	S	.	.	S	Bend	trans	-109.4	-4.7	-178.3	-70.4	170.6	-23.2	0	0	113.1	C443 H463	C443-Q445 PolarHBondContact SG-N 2.87Å; Q445-H463 PolarHBondContact OE1-CD2 3.37Å
446	C	93.7	Very high	93.1	Very high	38 Å²	38	80.8 Å²	80.8	26%	0.257	42%	0.42	S	S	.	.	S	Bend	trans	-161.2	170.9	169.8	66.5	0	0	0	0	110.4	C443 K448 H459 H463	C443-C446 VanDerWaalsContact O-O 3.05Å; C446-K448 PolarHBondContact O-N 2.88Å; C446-H459 PolarHBondContact SG-NE2 3.2Å; C446-H463 PolarHBondContact SG-NE2 3.12Å; C446-H463 VanDerWaalsContact SG-NE2 3.36Å
447	D	91.8	Very high	93.2	Very high	173 Å²	173	80.9 Å²	80.9	93%	0.925	42%	0.416	S	S	*	.	S	Bend	trans	-74.5	5.5	-177.3	-54.8	-53	0	0	0	114.6	A449	D447-A449 PolarHBondContact O-N 3.28Å
448	K	94.5	Very high	93.3	Very high	131 Å²	131	80.7 Å²	80.7	57%	0.57	41%	0.405	S	S	*	.			trans	-74.5	126	-179.1	-65.3	-175.1	-179.2	-177.7	0	110.7	C443 C446 F450	C443-K448 VanDerWaalsContact CB-O 3.27Å; C443-K448 WeakPolarHBondContact CB-O 3.37Å; C443-K448 PolarHBondContact N-O 2.99Å; C446-K448 PolarHBondContact O-N 2.88Å; K448-F450 HydrophobicContact CB-CE2 3.86Å; K448-F450 HydrophobicContact CB-CZ 3.9Å
449	A	94.2	Very high	93.4	Very high	24 Å²	24	76.7 Å²	76.7	20%	0.198	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149	172.1	0	0	0	0	0	111.2	K439 Y441 K442 D447	K439-A449 HydrophobicContact CB-CB 3.53Å; K439-A449 HydrophobicContact CD-CB 4.31Å; K439-A449 VanDerWaalsContact CD-O 3.27Å; K439-A449 WeakPolarHBondContact CD-O 3.43Å; K439-A449 HydrophobicContact CG-CB 4.47Å; Y441-A449 CarbonylContact O-C 3.56Å; Y441-A449 WeakPolarHBondContact O-CA 3.33Å; K442-A449 HydrophobicContact CG-CB 4Å; D447-A449 PolarHBondContact O-N 3.28Å
450	F	94.5	Very high	93.2	Very high	44 Å²	44	75.4 Å²	75.4	19%	0.193	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.8	-174.9	-57.3	-91.5	0	0	0	111.8	K439 Y441 K448 R452 T455 L456 H459	K439-F450 CarbonylContact C-O 3.34Å; K439-F450 WeakPolarHBondContact CA-O 3.48Å; Y441-F450 WeakPolarHBondContact CD2-O 3.07Å; Y441-F450 PolarHBondContact N-O 3.47Å; Y441-F450 VanDerWaalsContact N-O 3.17Å; Y441-F450 PolarHBondContact O-N 3Å; K448-F450 HydrophobicContact CB-CE2 3.86Å; K448-F450 HydrophobicContact CB-CZ 3.9Å; F450-R452 VanDerWaalsContact C-N 3.31Å; F450-T455 WeakPolarHBondContact CB-OG1 3.35Å; F450-L456 HydrophobicContact CB-CB 4.34Å; F450-L456 HydrophobicContact CD2-CB 3.87Å; F450-L456 HydrophobicContact CD2-CD1 3.81Å; F450-L456 HydrophobicContact CD2-CG 4.45Å; F450-L456 HydrophobicContact CE2-CD1 3.98Å; F450-L456 HydrophobicContact CG-CB 4.29Å; F450-H459 HydrophobicContact CE1-CB 4.03Å; F450-H459 HydrophobicContact CE2-CB 3.84Å; F450-H459 AromaticContact CE2-CD2 3.19Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.5Å; F450-H459 AromaticContact CE2-CG 3.58Å; F450-H459 AromaticContact CE2-NE2 3.94Å; F450-H459 HydrophobicContact CZ-CB 3.44Å; F450-H459 VanDerWaalsContact CZ-CB 3.44Å; F450-H459 AromaticContact CZ-CD2 3.36Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.48Å; F450-H459 AromaticContact CZ-CG 3.24Å; F450-H459 AromaticContact CZ-ND1 3.91Å
451	S	92.7	Very high	93.3	Very high	38 Å²	38	75.1 Å²	75.1	27%	0.266	37%	0.368	S	S	.	.	S	Bend	trans	-77.6	-16.9	176.4	60.4	0	0	0	0	113	R433	R433-S451 WeakPolarHBondContact CD-O 3.45Å; R433-S451 PolarHBondContact NH1-O 2.85Å
452	R	93.5	Very high	93.1	Very high	131 Å²	131	76 Å²	76	49%	0.494	38%	0.381	S	S	.	.	S	Bend	trans	-129.9	143.9	-179.7	-57.4	176.3	77.7	177.9	4.3	111.1	F450 S454 T455 L456	F450-R452 VanDerWaalsContact C-N 3.31Å; R452-S454 PolarHBondContact O-N 3.17Å; R452-T455 HydrophobicContact CB-CG2 4.47Å; R452-T455 PolarHBondContact O-N 3.33Å; R452-T455 PolarHBondContact O-OG1 3.15Å; R452-L456 PolarHBondContact O-N 3.26Å
453	H	94	Very high	93.1	Very high	92 Å²	92	71.5 Å²	71.5	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-39.1	177.5	176.3	-102.2	0	0	0	112.2	Y441 T455 L456 Q457	Y441-H453 HydrophobicContact CD1-CB 3.99Å; Y441-H453 HydrophobicContact CD2-CB 4.47Å; Y441-H453 VanDerWaalsContact CD2-N 3.33Å; Y441-H453 HydrophobicContact CE1-CB 3.75Å; Y441-H453 HydrophobicContact CE2-CB 4.24Å; Y441-H453 VanDerWaalsContact CE2-N 3.28Å; Y441-H453 HydrophobicContact CG-CB 4.35Å; H453-T455 VanDerWaalsContact C-N 3.29Å; H453-T455 PolarHBondContact O-N 2.81Å; H453-L456 WeakPolarHBondContact O-CB 3.41Å; H453-L456 PolarHBondContact O-N 3.3Å; H453-L456 VanDerWaalsContact O-N 3.17Å; H453-Q457 WeakPolarHBondContact CE1-CG 3.33Å; H453-Q457 PolarHBondContact CE1-NE2 3.43Å; H453-Q457 VanDerWaalsContact CE1-NE2 3.29Å; H453-Q457 PolarHBondContact NE2-NE2 3.2Å; H453-Q457 WeakPolarHBondContact O-CG 3.46Å; H453-Q457 PolarHBondContact O-N 3.28Å
454	S	91.2	Very high	92.9	Very high	65 Å²	65	74 Å²	74	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-37.1	179.7	54.2	0	0	0	0	112.6	R452 Q457 T458	R452-S454 PolarHBondContact O-N 3.17Å; S454-Q457 PolarHBondContact O-N 3.41Å; S454-T458 PolarHBondContact O-N 2.97Å; S454-T458 PolarHBondContact O-OG1 2.74Å
455	T	93.6	Very high	92.8	Very high	48 Å²	48	70 Å²	70	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-69.9	-37.4	176.4	45.8	0	0	0	0	111.9	F450 R452 H453 T458 H459	F450-T455 WeakPolarHBondContact CB-OG1 3.35Å; R452-T455 HydrophobicContact CB-CG2 4.47Å; R452-T455 PolarHBondContact O-N 3.33Å; R452-T455 PolarHBondContact O-OG1 3.15Å; H453-T455 VanDerWaalsContact C-N 3.29Å; H453-T455 PolarHBondContact O-N 2.81Å; T455-T458 WeakPolarHBondContact CA-OG1 3.36Å; T455-T458 PolarHBondContact O-OG1 3.22Å; T455-H459 VanDerWaalsContact O-CB 3.26Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.08Å
456	L	94.4	Very high	92.8	Very high	16 Å²	16	70.4 Å²	70.4	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-46.6	170.6	172.9	63.5	0	0	0	110.7	C443 F450 R452 H453 T458 H459 R460	C443-L456 HydrophobicContact CB-CD1 3.9Å; F450-L456 HydrophobicContact CB-CB 4.34Å; F450-L456 HydrophobicContact CD2-CB 3.87Å; F450-L456 HydrophobicContact CD2-CD1 3.81Å; F450-L456 HydrophobicContact CD2-CG 4.45Å; F450-L456 HydrophobicContact CE2-CD1 3.98Å; F450-L456 HydrophobicContact CG-CB 4.29Å; R452-L456 PolarHBondContact O-N 3.26Å; H453-L456 WeakPolarHBondContact O-CB 3.41Å; H453-L456 PolarHBondContact O-N 3.3Å; H453-L456 VanDerWaalsContact O-N 3.17Å; L456-T458 PolarHBondContact O-N 3.48Å; L456-H459 CarbonylContact O-C 3.57Å; L456-H459 WeakPolarHBondContact O-CA 3.3Å; L456-H459 WeakPolarHBondContact O-CB 3.33Å; L456-H459 PolarHBondContact O-N 2.55Å; L456-R460 HydrophobicContact CD1-CG 4.17Å; L456-R460 HydrophobicContact CG-CG 4.44Å; L456-R460 WeakPolarHBondContact O-CG 3.45Å; L456-R460 PolarHBondContact O-N 3.1Å
457	Q	92.9	Very high	92.8	Very high	67 Å²	67	74.7 Å²	74.7	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-62.1	-41.1	-179.9	-70.3	-62.4	-13.5	0	0	112.7	H453 S454 H459 R460	H453-Q457 WeakPolarHBondContact CE1-CG 3.33Å; H453-Q457 PolarHBondContact CE1-NE2 3.43Å; H453-Q457 VanDerWaalsContact CE1-NE2 3.29Å; H453-Q457 PolarHBondContact NE2-NE2 3.2Å; H453-Q457 WeakPolarHBondContact O-CG 3.46Å; H453-Q457 PolarHBondContact O-N 3.28Å; S454-Q457 PolarHBondContact O-N 3.41Å; Q457-H459 VanDerWaalsContact C-N 3.3Å; Q457-R460 PolarHBondContact O-N 3.48Å
458	T	93	Very high	92.8	Very high	45 Å²	45	69.9 Å²	69.9	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-32.4	173.3	50.9	0	0	0	0	112.6	S454 T455 L456 R461	S454-T458 PolarHBondContact O-N 2.97Å; S454-T458 PolarHBondContact O-OG1 2.74Å; T455-T458 WeakPolarHBondContact CA-OG1 3.36Å; T455-T458 PolarHBondContact O-OG1 3.22Å; L456-T458 PolarHBondContact O-N 3.48Å; T458-R461 WeakPolarHBondContact O-CB 3.39Å
459	H	93.6	Very high	92.8	Very high	19 Å²	19	66.4 Å²	66.4	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-70.3	-39.8	175.9	165.4	59.3	0	0	0	112	C443 C446 F450 T455 L456 Q457 R461 T462 H463	C443-H459 PolarHBondContact SG-NE2 2.84Å; C446-H459 PolarHBondContact SG-NE2 3.2Å; F450-H459 HydrophobicContact CE1-CB 4.03Å; F450-H459 HydrophobicContact CE2-CB 3.84Å; F450-H459 AromaticContact CE2-CD2 3.19Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.5Å; F450-H459 AromaticContact CE2-CG 3.58Å; F450-H459 AromaticContact CE2-NE2 3.94Å; F450-H459 HydrophobicContact CZ-CB 3.44Å; F450-H459 VanDerWaalsContact CZ-CB 3.44Å; F450-H459 AromaticContact CZ-CD2 3.36Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.48Å; F450-H459 AromaticContact CZ-CG 3.24Å; F450-H459 AromaticContact CZ-ND1 3.91Å; T455-H459 VanDerWaalsContact O-CB 3.26Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.08Å; L456-H459 CarbonylContact O-C 3.57Å; L456-H459 WeakPolarHBondContact O-CA 3.3Å; L456-H459 WeakPolarHBondContact O-CB 3.33Å; L456-H459 PolarHBondContact O-N 2.55Å; Q457-H459 VanDerWaalsContact C-N 3.3Å; H459-R461 PolarHBondContact O-N 3.35Å; H459-T462 PolarHBondContact ND1-OG1 2.77Å; H459-T462 WeakPolarHBondContact O-CB 3.4Å; H459-T462 WeakPolarHBondContact O-CG2 3.46Å; H459-T462 PolarHBondContact O-N 3.12Å; H459-T462 PolarHBondContact O-OG1 3.47Å; H459-H463 AromaticContact CE1-NE2 3.45Å; H459-H463 PolarHBondContact CE1-NE2 3.16Å; H459-H463 AromaticContact NE2-CD2 3.94Å; H459-H463 AromaticContact NE2-NE2 3.3Å; H459-H463 PolarHBondContact NE2-NE2 3.18Å
460	R	91.6	Very high	92.8	Very high	95 Å²	95	73.1 Å²	73.1	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-54	-30.2	177	-74	178.1	67.5	-121.1	-3.2	112.8	L456 Q457 T462 H463 T464	L456-R460 HydrophobicContact CD1-CG 4.17Å; L456-R460 HydrophobicContact CG-CG 4.44Å; L456-R460 WeakPolarHBondContact O-CG 3.45Å; L456-R460 PolarHBondContact O-N 3.1Å; Q457-R460 PolarHBondContact O-N 3.48Å; R460-T462 PolarHBondContact O-N 2.99Å; R460-H463 PolarHBondContact O-N 2.74Å; R460-T464 PolarHBondContact O-N 3.06Å; R460-T464 VanDerWaalsContact O-N 3.16Å
461	R	93.3	Very high	92.8	Very high	63 Å²	63	71.6 Å²	71.6	24%	0.238	37%	0.366	C	S	.	.	H	α-helix	trans	-63.3	-19.9	174	-61	179.5	-179.1	158.1	1.8	114.2	T458 H459 H463 T464 G465 E466 S479	T458-R461 WeakPolarHBondContact O-CB 3.39Å; H459-R461 PolarHBondContact O-N 3.35Å; R461-H463 VanDerWaalsContact C-N 3.29Å; R461-T464 WeakPolarHBondContact CA-OG1 3.46Å; R461-G465 WeakPolarHBondContact O-CA 3.26Å; R461-G465 PolarHBondContact O-N 3.38Å; R461-E466 HydrophobicContact CG-CB 4.34Å; R461-S479 WeakPolarHBondContact CD-O 3.4Å; R461-S479 PolarHBondContact NH1-O 3.21Å
462	T	91.7	Very high	92.7	Very high	95 Å²	95	76.4 Å²	76.4	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-73.3	-25.1	173.7	67.5	0	0	0	0	112.2	H459 R460	H459-T462 PolarHBondContact ND1-OG1 2.77Å; H459-T462 WeakPolarHBondContact O-CB 3.4Å; H459-T462 WeakPolarHBondContact O-CG2 3.46Å; H459-T462 PolarHBondContact O-N 3.12Å; H459-T462 PolarHBondContact O-OG1 3.47Å; R460-T462 PolarHBondContact O-N 2.99Å
463	H	92.6	Very high	92.6	Very high	72 Å²	72	75.1 Å²	75.1	33%	0.333	39%	0.389	S	S	.	.	H	α-helix	trans	-87	-40.6	174.9	-63.1	-68.6	0	0	0	111.9	C443 Q445 C446 H459 R460 R461 G465	C443-H463 PolarHBondContact SG-NE2 3.05Å; C443-H463 VanDerWaalsContact SG-NE2 3.43Å; Q445-H463 PolarHBondContact OE1-CD2 3.37Å; C446-H463 PolarHBondContact SG-NE2 3.12Å; C446-H463 VanDerWaalsContact SG-NE2 3.36Å; H459-H463 AromaticContact CE1-NE2 3.45Å; H459-H463 PolarHBondContact CE1-NE2 3.16Å; H459-H463 AromaticContact NE2-CD2 3.94Å; H459-H463 AromaticContact NE2-NE2 3.3Å; H459-H463 PolarHBondContact NE2-NE2 3.18Å; R460-H463 PolarHBondContact O-N 2.74Å; R461-H463 VanDerWaalsContact C-N 3.29Å; H463-G465 VanDerWaalsContact C-N 3.32Å
464	T	90.9	Very high	92.5	Very high	65 Å²	65	72.5 Å²	72.5	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-80.3	-15.1	-179.9	63.5	0	0	0	0	113.3	R460 R461 E466	R460-T464 PolarHBondContact O-N 3.06Å; R460-T464 VanDerWaalsContact O-N 3.16Å; R461-T464 WeakPolarHBondContact CA-OG1 3.46Å; T464-E466 PolarHBondContact O-N 2.72Å; T464-E466 WeakPolarHBondContact OG1-CB 3.29Å; T464-E466 WeakPolarHBondContact OG1-CG 3.16Å; T464-E466 PolarHBondContact OG1-N 2.87Å
465	G	89.6	Confident	92.5	Very high	49 Å²	49	77.7 Å²	77.7	51%	0.505	40%	0.403	S	S	.	.			trans	69.7	3.9	-173.4	0	0	0	0	0	114.2	R461 H463 K467	R461-G465 WeakPolarHBondContact O-CA 3.26Å; R461-G465 PolarHBondContact O-N 3.38Å; H463-G465 VanDerWaalsContact C-N 3.32Å; G465-K467 PolarHBondContact O-N 3.38Å
466	E	92.3	Very high	92.5	Very high	109 Å²	109	81.4 Å²	81.4	51%	0.509	42%	0.415	S	S	.	.			trans	-60.6	128.3	-175.6	-78.5	176.9	-166.9	0	0	112.1	R461 T464 P468	R461-E466 HydrophobicContact CG-CB 4.34Å; T464-E466 PolarHBondContact O-N 2.72Å; T464-E466 WeakPolarHBondContact OG1-CB 3.29Å; T464-E466 WeakPolarHBondContact OG1-CG 3.16Å; T464-E466 PolarHBondContact OG1-N 2.87Å; E466-P468 WeakPolarHBondContact O-CD 3.33Å
467	K	93.6	Very high	92.5	Very high	128 Å²	128	81.9 Å²	81.9	56%	0.557	42%	0.421	S	S	*	.			trans	-124.3	75.6	177.4	-71.5	164.8	172.4	-175.2	0	110.9	G465 F469 A477 F478	G465-K467 PolarHBondContact O-N 3.38Å; K467-F469 PolarHBondContact O-N 3.24Å; K467-A477 HydrophobicContact CB-CB 3.58Å; K467-A477 HydrophobicContact CD-CB 4.31Å; K467-A477 VanDerWaalsContact CD-O 3.32Å; K467-A477 WeakPolarHBondContact CD-O 3.38Å; K467-A477 HydrophobicContact CG-CB 4.5Å; K467-F478 CarbonylContact C-O 3.58Å; K467-F478 WeakPolarHBondContact CA-O 3.49Å
468	P	91.9	Very high	92.5	Very high	71 Å²	71	80.7 Å²	80.7	46%	0.461	42%	0.415	S	S	.	.			trans	-67.3	-18.4	-173.9	-21.5	34.3	0	0	0	114.5	E466	E466-P468 WeakPolarHBondContact O-CD 3.33Å
469	F	94.6	Very high	92.5	Very high	58 Å²	58	80.2 Å²	80.2	25%	0.254	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	91.4	-174.7	-55.9	-75.4	0	0	0	110.2	K467 A477 F478 K481 L484	K467-F469 PolarHBondContact O-N 3.24Å; F469-A477 CarbonylContact O-C 3.55Å; F469-A477 WeakPolarHBondContact O-CA 3.43Å; F469-F478 HydrophobicContact CB-CB 4.49Å; F469-F478 WeakPolarHBondContact CB-O 3.47Å; F469-F478 WeakPolarHBondContact CD2-O 3.29Å; F469-F478 PolarHBondContact N-O 2.84Å; F469-F478 VanDerWaalsContact N-O 3.14Å; F469-F478 PolarHBondContact O-N 3Å; F469-K481 HydrophobicContact CD1-CB 4Å; F469-K481 HydrophobicContact CD1-CG 4.34Å; F469-K481 HydrophobicContact CD2-CB 4.48Å; F469-K481 VanDerWaalsContact CD2-N 3.34Å; F469-K481 HydrophobicContact CE1-CB 3.76Å; F469-K481 HydrophobicContact CE1-CG 4.26Å; F469-K481 HydrophobicContact CE2-CB 4.25Å; F469-K481 VanDerWaalsContact CE2-N 3.34Å; F469-K481 HydrophobicContact CG-CB 4.36Å; F469-K481 HydrophobicContact CZ-CB 3.88Å; F469-L484 HydrophobicContact CB-CB 4.06Å; F469-L484 HydrophobicContact CB-CD2 3.8Å
470	K	93.3	Very high	92.4	Very high	166 Å²	166	82.9 Å²	82.9	72%	0.722	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.2	177.2	-61	-175.6	177.8	-175.1	0	111	A477	K470-A477 HydrophobicContact CG-CB 4.02Å
471	C	94.1	Very high	92.5	Very high	11 Å²	11	84.7 Å²	84.7	7%	0.074	44%	0.436	C	S	.	.			trans	-73.9	143.8	165.3	-170.2	0	0	0	0	109.2	C474 K476 L484 H487 H491	C471-C474 CarbonylContact C-O 3.55Å; C471-C474 WeakPolarHBondContact CB-O 3.33Å; C471-C474 VanDerWaalsContact O-O 3.05Å; C471-K476 VanDerWaalsContact CB-O 3.27Å; C471-K476 WeakPolarHBondContact CB-O 3.29Å; C471-K476 PolarHBondContact N-O 3.49Å; C471-L484 HydrophobicContact CB-CD1 3.86Å; C471-H487 VanDerWaalsContact SG-CD2 3.59Å; C471-H487 PolarHBondContact SG-NE2 2.79Å; C471-H491 PolarHBondContact SG-NE2 3.27Å
472	N	91.8	Very high	92.3	Very high	139 Å²	139	84.9 Å²	84.9	74%	0.743	45%	0.447	S	S	*	.	S	Bend	trans	-90	-15.2	176.6	61.6	-24.7	0	0	0	112.8
473	Q	89.7	Confident	92.4	Very high	104 Å²	104	82.3 Å²	82.3	49%	0.486	43%	0.433	S	S	.	.	S	Bend	trans	-103.8	-5.7	-178.2	-71.5	167.2	-20.6	0	0	112.8	H491	Q473-H491 PolarHBondContact OE1-CD2 3.19Å
474	C	93.2	Very high	92.4	Very high	38 Å²	38	79.7 Å²	79.7	26%	0.257	42%	0.421	S	S	.	.	S	Bend	trans	-161.7	170.5	171	70.3	0	0	0	0	111.2	C471 K476 H487 H491	C471-C474 CarbonylContact C-O 3.55Å; C471-C474 WeakPolarHBondContact CB-O 3.33Å; C471-C474 VanDerWaalsContact O-O 3.05Å; C474-K476 PolarHBondContact O-N 3.28Å; C474-H487 PolarHBondContact SG-NE2 2.94Å; C474-H491 PolarHBondContact SG-NE2 3.49Å; C474-H491 VanDerWaalsContact SG-NE2 3.44Å
475	D	91.3	Very high	92.4	Very high	173 Å²	173	81 Å²	81	93%	0.925	42%	0.423	S	S	*	.	S	Bend	trans	-74.6	5.5	-176.2	-56.2	-51.2	0	0	0	114.9	A477	D475-A477 PolarHBondContact O-N 3.41Å
476	K	93.5	Very high	92.5	Very high	126 Å²	126	83.9 Å²	83.9	55%	0.548	42%	0.421	S	S	.	.			trans	-73.9	125.3	-179	-67.3	-178	179.7	176.6	0	110.6	C471 C474 F478	C471-K476 VanDerWaalsContact CB-O 3.27Å; C471-K476 WeakPolarHBondContact CB-O 3.29Å; C471-K476 PolarHBondContact N-O 3.49Å; C474-K476 PolarHBondContact O-N 3.28Å; K476-F478 HydrophobicContact CB-CE2 3.88Å; K476-F478 HydrophobicContact CB-CZ 3.94Å
477	A	93.5	Very high	92.4	Very high	26 Å²	26	79.3 Å²	79.3	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.8	172.5	0	0	0	0	0	111.3	K467 F469 K470 D475	K467-A477 HydrophobicContact CB-CB 3.58Å; K467-A477 HydrophobicContact CD-CB 4.31Å; K467-A477 VanDerWaalsContact CD-O 3.32Å; K467-A477 WeakPolarHBondContact CD-O 3.38Å; K467-A477 HydrophobicContact CG-CB 4.5Å; F469-A477 CarbonylContact O-C 3.55Å; F469-A477 WeakPolarHBondContact O-CA 3.43Å; K470-A477 HydrophobicContact CG-CB 4.02Å; D475-A477 PolarHBondContact O-N 3.41Å
478	F	93.8	Very high	92.3	Very high	43 Å²	43	75.1 Å²	75.1	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147	-175.5	-57.8	-90.3	0	0	0	111.3	K467 F469 K476 Q480 L484 H487	K467-F478 CarbonylContact C-O 3.58Å; K467-F478 WeakPolarHBondContact CA-O 3.49Å; F469-F478 HydrophobicContact CB-CB 4.49Å; F469-F478 WeakPolarHBondContact CB-O 3.47Å; F469-F478 WeakPolarHBondContact CD2-O 3.29Å; F469-F478 PolarHBondContact N-O 2.84Å; F469-F478 VanDerWaalsContact N-O 3.14Å; F469-F478 PolarHBondContact O-N 3Å; K476-F478 HydrophobicContact CB-CE2 3.88Å; K476-F478 HydrophobicContact CB-CZ 3.94Å; F478-Q480 VanDerWaalsContact C-N 3.26Å; F478-Q480 PolarHBondContact O-N 3.42Å; F478-L484 HydrophobicContact CB-CB 4.32Å; F478-L484 HydrophobicContact CD2-CB 3.82Å; F478-L484 HydrophobicContact CD2-CD1 3.8Å; F478-L484 HydrophobicContact CD2-CG 4.43Å; F478-L484 HydrophobicContact CE2-CD1 3.97Å; F478-L484 HydrophobicContact CG-CB 4.27Å; F478-H487 HydrophobicContact CE1-CB 4.07Å; F478-H487 HydrophobicContact CE2-CB 3.7Å; F478-H487 AromaticContact CE2-CD2 3.42Å; F478-H487 VanDerWaalsContact CE2-CD2 3.42Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.43Å; F478-H487 AromaticContact CE2-CG 3.54Å; F478-H487 HydrophobicContact CZ-CB 3.36Å; F478-H487 AromaticContact CZ-CD2 3.65Å; F478-H487 AromaticContact CZ-CG 3.29Å; F478-H487 AromaticContact CZ-ND1 3.87Å
479	S	91.9	Very high	92.2	Very high	34 Å²	34	74.1 Å²	74.1	24%	0.238	37%	0.37	C	S	.	.	S	Bend	trans	-75.1	-16.9	175	59	0	0	0	0	112.8	R461	R461-S479 WeakPolarHBondContact CD-O 3.4Å; R461-S479 PolarHBondContact NH1-O 3.21Å
480	Q	93.1	Very high	91.9	Very high	76 Å²	76	76.8 Å²	76.8	36%	0.355	39%	0.386	S	S	.	.	S	Bend	trans	-134	140.9	-178.2	-57.9	-176.2	26.9	0	0	111.9	F478 C482 S483 L484	F478-Q480 VanDerWaalsContact C-N 3.26Å; F478-Q480 PolarHBondContact O-N 3.42Å; Q480-C482 VanDerWaalsContact C-N 3.32Å; Q480-C482 PolarHBondContact O-N 3.35Å; Q480-S483 PolarHBondContact O-N 3.49Å; Q480-L484 PolarHBondContact O-N 3Å
481	K	92.8	Very high	91.7	Very high	132 Å²	132	72.6 Å²	72.6	57%	0.574	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-38.6	179.5	-172.4	175.7	-179	176.6	0	112.5	F469 S483 L484 Q485	F469-K481 HydrophobicContact CD1-CB 4Å; F469-K481 HydrophobicContact CD1-CG 4.34Å; F469-K481 HydrophobicContact CD2-CB 4.48Å; F469-K481 VanDerWaalsContact CD2-N 3.34Å; F469-K481 HydrophobicContact CE1-CB 3.76Å; F469-K481 HydrophobicContact CE1-CG 4.26Å; F469-K481 HydrophobicContact CE2-CB 4.25Å; F469-K481 VanDerWaalsContact CE2-N 3.34Å; F469-K481 HydrophobicContact CG-CB 4.36Å; F469-K481 HydrophobicContact CZ-CB 3.88Å; K481-S483 VanDerWaalsContact C-N 3.3Å; K481-S483 PolarHBondContact O-N 2.88Å; K481-L484 PolarHBondContact O-N 3.44Å; K481-Q485 HydrophobicContact CG-CG 4.43Å; K481-Q485 VanDerWaalsContact O-CG 3.31Å; K481-Q485 WeakPolarHBondContact O-CG 3.34Å; K481-Q485 PolarHBondContact O-N 2.85Å
482	C	89.7	Confident	91.5	Very high	67 Å²	67	75.2 Å²	75.2	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-34.6	179.3	58.3	0	0	0	0	112.4	Q480 Q485 K486	Q480-C482 VanDerWaalsContact C-N 3.32Å; Q480-C482 PolarHBondContact O-N 3.35Å; C482-Q485 PolarHBondContact O-N 3.34Å; C482-K486 WeakPolarHBondContact O-CG 3.1Å; C482-K486 PolarHBondContact O-N 2.9Å
483	S	92.8	Very high	91.2	Very high	41 Å²	41	70.9 Å²	70.9	29%	0.287	37%	0.373	S	S	.	.	H	α-helix	trans	-67.2	-42	174.5	-54.5	0	0	0	0	111.2	Q480 K481 K486 H487	Q480-S483 PolarHBondContact O-N 3.49Å; K481-S483 VanDerWaalsContact C-N 3.3Å; K481-S483 PolarHBondContact O-N 2.88Å; S483-K486 PolarHBondContact O-N 3.08Å; S483-H487 WeakPolarHBondContact O-CB 3.22Å; S483-H487 PolarHBondContact O-N 3.17Å
484	L	92.9	Very high	91.1	Very high	18 Å²	18	70.7 Å²	70.7	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-60.1	-45.8	171.4	174.4	63.3	0	0	0	111.4	F469 C471 F478 Q480 K481 K486 H487 I488	F469-L484 HydrophobicContact CB-CB 4.06Å; F469-L484 HydrophobicContact CB-CD2 3.8Å; C471-L484 HydrophobicContact CB-CD1 3.86Å; F478-L484 HydrophobicContact CB-CB 4.32Å; F478-L484 HydrophobicContact CD2-CB 3.82Å; F478-L484 HydrophobicContact CD2-CD1 3.8Å; F478-L484 HydrophobicContact CD2-CG 4.43Å; F478-L484 HydrophobicContact CE2-CD1 3.97Å; F478-L484 HydrophobicContact CG-CB 4.27Å; Q480-L484 PolarHBondContact O-N 3Å; K481-L484 PolarHBondContact O-N 3.44Å; L484-K486 PolarHBondContact O-N 3.03Å; L484-H487 CarbonylContact O-C 3.57Å; L484-H487 WeakPolarHBondContact O-CA 3.32Å; L484-H487 WeakPolarHBondContact O-CB 3.41Å; L484-H487 PolarHBondContact O-N 3.42Å; L484-I488 HydrophobicContact CD1-CD1 4.01Å; L484-I488 HydrophobicContact CD1-CG1 3.99Å; L484-I488 HydrophobicContact CD2-CD1 4.35Å; L484-I488 HydrophobicContact CG-CD1 3.8Å; L484-I488 HydrophobicContact CG-CG1 4.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.34Å; L484-I488 PolarHBondContact O-N 3.49Å
485	Q	91.5	Very high	90.9	Very high	93 Å²	93	75.1 Å²	75.1	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-41.9	178.8	-70.3	-67.8	-48.1	0	0	112.6	K481 C482 H487 I488 R489	K481-Q485 HydrophobicContact CG-CG 4.43Å; K481-Q485 VanDerWaalsContact O-CG 3.31Å; K481-Q485 WeakPolarHBondContact O-CG 3.34Å; K481-Q485 PolarHBondContact O-N 2.85Å; C482-Q485 PolarHBondContact O-N 3.34Å; Q485-H487 VanDerWaalsContact C-N 3.27Å; Q485-H487 PolarHBondContact O-N 3.3Å; Q485-I488 PolarHBondContact O-N 3.28Å; Q485-R489 PolarHBondContact O-N 2.87Å
486	K	90.6	Very high	90.7	Very high	108 Å²	108	71.7 Å²	71.7	47%	0.47	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-35.8	172.6	-71.9	177.3	-176.3	-176.3	0	112	C482 S483 L484	C482-K486 WeakPolarHBondContact O-CG 3.1Å; C482-K486 PolarHBondContact O-N 2.9Å; S483-K486 PolarHBondContact O-N 3.08Å; L484-K486 PolarHBondContact O-N 3.03Å
487	H	91.5	Very high	90.6	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.065	36%	0.356	C	S	.	.	H	α-helix	trans	-70.9	-42.5	178	168.6	63.8	0	0	0	112.5	C471 C474 F478 S483 L484 Q485 R489 I490 H491	C471-H487 VanDerWaalsContact SG-CD2 3.59Å; C471-H487 PolarHBondContact SG-NE2 2.79Å; C474-H487 PolarHBondContact SG-NE2 2.94Å; F478-H487 HydrophobicContact CE1-CB 4.07Å; F478-H487 HydrophobicContact CE2-CB 3.7Å; F478-H487 AromaticContact CE2-CD2 3.42Å; F478-H487 VanDerWaalsContact CE2-CD2 3.42Å; F478-H487 WeakPolarHBondContact CE2-CD2 3.43Å; F478-H487 AromaticContact CE2-CG 3.54Å; F478-H487 HydrophobicContact CZ-CB 3.36Å; F478-H487 AromaticContact CZ-CD2 3.65Å; F478-H487 AromaticContact CZ-CG 3.29Å; F478-H487 AromaticContact CZ-ND1 3.87Å; S483-H487 WeakPolarHBondContact O-CB 3.22Å; S483-H487 PolarHBondContact O-N 3.17Å; L484-H487 CarbonylContact O-C 3.57Å; L484-H487 WeakPolarHBondContact O-CA 3.32Å; L484-H487 WeakPolarHBondContact O-CB 3.41Å; L484-H487 PolarHBondContact O-N 3.42Å; Q485-H487 VanDerWaalsContact C-N 3.27Å; Q485-H487 PolarHBondContact O-N 3.3Å; H487-R489 PolarHBondContact O-N 3.43Å; H487-I490 VanDerWaalsContact O-CB 3.22Å; H487-I490 WeakPolarHBondContact O-CB 3.48Å; H487-I490 WeakPolarHBondContact O-CG1 3.25Å; H487-I490 PolarHBondContact O-N 3.05Å; H487-H491 AromaticContact CE1-NE2 3.54Å; H487-H491 AromaticContact NE2-CD2 3.77Å; H487-H491 AromaticContact NE2-NE2 3.22Å; H487-H491 PolarHBondContact NE2-NE2 2.94Å
488	I	90.5	Very high	90.5	Very high	40 Å²	40	75.3 Å²	75.3	21%	0.205	38%	0.377	C	S	.	.	H	α-helix	trans	-56.4	-33.8	177.8	-70.5	165.8	0	0	0	111.1	L484 Q485 I490 H491 T492	L484-I488 HydrophobicContact CD1-CD1 4.01Å; L484-I488 HydrophobicContact CD1-CG1 3.99Å; L484-I488 HydrophobicContact CD2-CD1 4.35Å; L484-I488 HydrophobicContact CG-CD1 3.8Å; L484-I488 HydrophobicContact CG-CG1 4.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.34Å; L484-I488 PolarHBondContact O-N 3.49Å; Q485-I488 PolarHBondContact O-N 3.28Å; I488-I490 PolarHBondContact O-N 2.95Å; I488-I490 VanDerWaalsContact O-N 3.12Å; I488-H491 PolarHBondContact O-N 3Å; I488-T492 HydrophobicContact CG2-CG2 3.96Å; I488-T492 PolarHBondContact O-N 3.46Å; I488-T492 PolarHBondContact O-OG1 3.46Å
489	R	90.6	Very high	90.4	Very high	49 Å²	49	73.8 Å²	73.8	19%	0.185	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-20.8	175.1	-65	177.7	-170.3	175.4	-1.1	114.6	Q485 H487 T492 G493 E494 S507	Q485-R489 PolarHBondContact O-N 2.87Å; H487-R489 PolarHBondContact O-N 3.43Å; R489-T492 WeakPolarHBondContact CA-OG1 3.45Å; R489-G493 WeakPolarHBondContact O-CA 3.45Å; R489-G493 PolarHBondContact O-N 2.94Å; R489-E494 HydrophobicContact CG-CB 4.4Å; R489-E494 PolarHBondContact O-N 3.09Å; R489-S507 WeakPolarHBondContact CD-O 3.42Å; R489-S507 PolarHBondContact NH1-O 3.41Å
490	I	88	Confident	90.3	Very high	115 Å²	115	80 Å²	80	59%	0.59	40%	0.403	S	S	*	.	H	α-helix	trans	-70.5	-40.7	174.7	-59.1	172.8	0	0	0	109.4	H487 I488	H487-I490 VanDerWaalsContact O-CB 3.22Å; H487-I490 WeakPolarHBondContact O-CB 3.48Å; H487-I490 WeakPolarHBondContact O-CG1 3.25Å; H487-I490 PolarHBondContact O-N 3.05Å; I488-I490 PolarHBondContact O-N 2.95Å; I488-I490 VanDerWaalsContact O-N 3.12Å
491	H	89.9	Confident	90	Very high	77 Å²	77	81.2 Å²	81.2	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-77.1	-39.4	179.4	-61.8	-53.6	0	0	0	112.6	C471 Q473 C474 H487 I488 G493	C471-H491 PolarHBondContact SG-NE2 3.27Å; Q473-H491 PolarHBondContact OE1-CD2 3.19Å; C474-H491 PolarHBondContact SG-NE2 3.49Å; C474-H491 VanDerWaalsContact SG-NE2 3.44Å; H487-H491 AromaticContact CE1-NE2 3.54Å; H487-H491 AromaticContact NE2-CD2 3.77Å; H487-H491 AromaticContact NE2-NE2 3.22Å; H487-H491 PolarHBondContact NE2-NE2 2.94Å; I488-H491 PolarHBondContact O-N 3Å; H491-G493 VanDerWaalsContact C-N 3.28Å; H491-G493 PolarHBondContact O-N 2.62Å
492	T	88.6	Confident	90	Very high	66 Å²	66	76.7 Å²	76.7	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-78.3	-14.3	178.2	63.2	0	0	0	0	113.1	I488 R489 E494	I488-T492 HydrophobicContact CG2-CG2 3.96Å; I488-T492 PolarHBondContact O-N 3.46Å; I488-T492 PolarHBondContact O-OG1 3.46Å; R489-T492 WeakPolarHBondContact CA-OG1 3.45Å; T492-E494 PolarHBondContact O-N 2.84Å; T492-E494 WeakPolarHBondContact OG1-CB 3.42Å; T492-E494 WeakPolarHBondContact OG1-CG 3.14Å; T492-E494 PolarHBondContact OG1-N 3.02Å
493	G	85.9	Confident	89.9	Confident	49 Å²	49	81.8 Å²	81.8	51%	0.505	42%	0.416	S	S	.	.			trans	66.6	8.9	-173.3	0	0	0	0	0	114.3	R489 H491 K495	R489-G493 WeakPolarHBondContact O-CA 3.45Å; R489-G493 PolarHBondContact O-N 2.94Å; H491-G493 VanDerWaalsContact C-N 3.28Å; H491-G493 PolarHBondContact O-N 2.62Å; G493-K495 PolarHBondContact O-N 3.06Å; G493-K495 VanDerWaalsContact O-N 3.12Å
494	E	88.4	Confident	89.8	Confident	99 Å²	99	85.7 Å²	85.7	46%	0.463	43%	0.428	S	S	.	.			trans	-62.7	113.1	-175.5	-81	-179.2	-178.8	0	0	112.5	R489 T492	R489-E494 HydrophobicContact CG-CB 4.4Å; R489-E494 PolarHBondContact O-N 3.09Å; T492-E494 PolarHBondContact O-N 2.84Å; T492-E494 WeakPolarHBondContact OG1-CB 3.42Å; T492-E494 WeakPolarHBondContact OG1-CG 3.14Å; T492-E494 PolarHBondContact OG1-N 3.02Å
495	K	89.1	Confident	89.7	Confident	131 Å²	131	86 Å²	86	57%	0.57	43%	0.433	S	S	*	.			trans	-105.1	79.3	176	-70.8	168.6	170.9	-175.4	0	110.9	G493 Y497 A505 F506	G493-K495 PolarHBondContact O-N 3.06Å; G493-K495 VanDerWaalsContact O-N 3.12Å; K495-Y497 VanDerWaalsContact C-N 3.32Å; K495-Y497 PolarHBondContact O-N 2.71Å; K495-A505 HydrophobicContact CB-CB 3.61Å; K495-A505 HydrophobicContact CD-CB 4.26Å; K495-A505 VanDerWaalsContact CD-O 3.26Å; K495-A505 WeakPolarHBondContact CD-O 3.31Å; K495-A505 HydrophobicContact CG-CB 4.47Å; K495-F506 CarbonylContact C-O 3.31Å; K495-F506 WeakPolarHBondContact CA-O 3.37Å
496	L	87	Confident	89.7	Confident	101 Å²	101	83.7 Å²	83.7	53%	0.529	42%	0.421	S	S	.	.			trans	-71.5	-20.9	-175.3	-62.8	175.3	0	0	0	114.5	F506	L496-F506 PolarHBondContact N-O 3.24Å
497	Y	90.9	Very high	89.6	Confident	73 Å²	73	80.4 Å²	80.4	29%	0.286	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	94.8	-173.6	-57.4	-77.7	0	0	0	110.2	K495 A505 F506 H509	K495-Y497 VanDerWaalsContact C-N 3.32Å; K495-Y497 PolarHBondContact O-N 2.71Å; Y497-A505 CarbonylContact O-C 3.56Å; Y497-A505 WeakPolarHBondContact O-CA 3.46Å; Y497-F506 WeakPolarHBondContact CB-O 3.29Å; Y497-F506 WeakPolarHBondContact CD2-O 2.83Å; Y497-F506 PolarHBondContact N-O 2.98Å; Y497-F506 PolarHBondContact O-N 3.29Å; Y497-H509 HydrophobicContact CD1-CB 4.01Å; Y497-H509 HydrophobicContact CD2-CB 4.45Å; Y497-H509 VanDerWaalsContact CD2-N 3.33Å; Y497-H509 HydrophobicContact CE1-CB 3.71Å; Y497-H509 HydrophobicContact CE2-CB 4.15Å; Y497-H509 VanDerWaalsContact CE2-N 3.26Å; Y497-H509 HydrophobicContact CG-CB 4.37Å
498	K	90.7	Very high	89.5	Confident	155 Å²	155	82.9 Å²	82.9	67%	0.674	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.2	177.1	-61.4	-177	178	-174.2	0	110.5	A505	K498-A505 HydrophobicContact CG-CB 4.01Å
499	C	92	Very high	89.4	Confident	12 Å²	12	85.4 Å²	85.4	8%	0.081	43%	0.434	C	S	.	.			trans	-73.8	142.1	165.3	-168.1	0	0	0	0	108.9	C502 K504 L512 H515	C499-C502 CarbonylContact C-O 3.58Å; C499-C502 WeakPolarHBondContact CB-O 3.49Å; C499-K504 WeakPolarHBondContact CB-O 3.5Å; C499-K504 PolarHBondContact N-O 3.44Å; C499-L512 HydrophobicContact CB-CD1 3.88Å; C499-H515 PolarHBondContact SG-NE2 3.16Å
500	N	89.6	Confident	89.3	Confident	164 Å²	164	86.2 Å²	86.2	88%	0.877	45%	0.448	S	S	*	.	S	Bend	trans	-86.4	-16.1	176.6	-66.2	-10.6	0	0	0	111.9
501	E	87.8	Confident	89.3	Confident	101 Å²	101	83.2 Å²	83.2	47%	0.472	44%	0.435	S	S	.	.	S	Bend	trans	-105.5	-6.7	-173.8	-64	166.3	-139.1	0	0	112	H519	E501-H519 WeakPolarHBondContact OE2-CB 3.3Å; E501-H519 IonicContact OE2-CD2 3.69Å; E501-H519 IonicContact OE2-CG 3.18Å; E501-H519 IonicContact OE2-ND1 3.76Å
502	C	91.6	Very high	89.3	Confident	37 Å²	37	80.3 Å²	80.3	25%	0.25	42%	0.422	C	S	.	.	S	Bend	trans	-159.2	169.8	169.6	68.6	0	0	0	0	111.8	C499 K504 H515 H519	C499-C502 CarbonylContact C-O 3.58Å; C499-C502 WeakPolarHBondContact CB-O 3.49Å; C502-K504 PolarHBondContact O-N 3.01Å; C502-H515 PolarHBondContact SG-NE2 3.18Å; C502-H519 PolarHBondContact SG-NE2 3.44Å
503	D	88.8	Confident	89.3	Confident	175 Å²	175	80.3 Å²	80.3	94%	0.936	42%	0.417	S	S	*	.	S	Bend	trans	-73.8	7.4	-177.4	-60	-49.1	0	0	0	115	A505	D503-A505 PolarHBondContact O-N 3.28Å
504	K	90.9	Very high	89.4	Confident	123 Å²	123	79.8 Å²	79.8	54%	0.535	40%	0.404	S	S	.	.			trans	-76.1	128.5	-179.2	-64.5	-178.3	-176	175.5	0	110.5	C499 C502 F506	C499-K504 WeakPolarHBondContact CB-O 3.5Å; C499-K504 PolarHBondContact N-O 3.44Å; C502-K504 PolarHBondContact O-N 3.01Å; K504-F506 HydrophobicContact CB-CE2 3.75Å; K504-F506 HydrophobicContact CB-CZ 3.83Å; K504-F506 HydrophobicContact CD-CZ 4.45Å
505	A	90.5	Very high	89.4	Confident	25 Å²	25	76 Å²	76	21%	0.207	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.6	173.2	0	0	0	0	0	111.1	K495 Y497 K498 D503	K495-A505 HydrophobicContact CB-CB 3.61Å; K495-A505 HydrophobicContact CD-CB 4.26Å; K495-A505 VanDerWaalsContact CD-O 3.26Å; K495-A505 WeakPolarHBondContact CD-O 3.31Å; K495-A505 HydrophobicContact CG-CB 4.47Å; Y497-A505 CarbonylContact O-C 3.56Å; Y497-A505 WeakPolarHBondContact O-CA 3.46Å; K498-A505 HydrophobicContact CG-CB 4.01Å; D503-A505 PolarHBondContact O-N 3.28Å
506	F	90.4	Very high	89.4	Confident	43 Å²	43	74.6 Å²	74.6	19%	0.189	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.1	-173.2	-57.2	-91.2	0	0	0	111.1	K495 L496 Y497 K504 Q508 T511 L512 H515	K495-F506 CarbonylContact C-O 3.31Å; K495-F506 WeakPolarHBondContact CA-O 3.37Å; L496-F506 PolarHBondContact N-O 3.24Å; Y497-F506 WeakPolarHBondContact CB-O 3.29Å; Y497-F506 WeakPolarHBondContact CD2-O 2.83Å; Y497-F506 PolarHBondContact N-O 2.98Å; Y497-F506 PolarHBondContact O-N 3.29Å; K504-F506 HydrophobicContact CB-CE2 3.75Å; K504-F506 HydrophobicContact CB-CZ 3.83Å; K504-F506 HydrophobicContact CD-CZ 4.45Å; F506-Q508 VanDerWaalsContact C-N 3.28Å; F506-T511 WeakPolarHBondContact CB-OG1 3.3Å; F506-L512 HydrophobicContact CB-CB 4.35Å; F506-L512 HydrophobicContact CD2-CB 3.91Å; F506-L512 HydrophobicContact CD2-CD1 3.82Å; F506-L512 HydrophobicContact CD2-CG 4.47Å; F506-L512 HydrophobicContact CE2-CD1 3.98Å; F506-L512 HydrophobicContact CG-CB 4.31Å; F506-H515 HydrophobicContact CE1-CB 4.11Å; F506-H515 HydrophobicContact CE2-CB 3.93Å; F506-H515 AromaticContact CE2-CD2 3.23Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.48Å; F506-H515 AromaticContact CE2-CG 3.69Å; F506-H515 HydrophobicContact CZ-CB 3.5Å; F506-H515 AromaticContact CZ-CD2 3.37Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.36Å; F506-H515 AromaticContact CZ-CG 3.34Å
507	S	88.5	Confident	89.4	Confident	39 Å²	39	72.5 Å²	72.5	27%	0.273	36%	0.363	S	S	.	.	S	Bend	trans	-75.8	-18.7	176.5	57.5	0	0	0	0	113	R489	R489-S507 WeakPolarHBondContact CD-O 3.42Å; R489-S507 PolarHBondContact NH1-O 3.41Å
508	Q	88.9	Confident	89.2	Confident	67 Å²	67	73.5 Å²	73.5	31%	0.313	38%	0.376	S	S	.	.	S	Bend	trans	-129.1	145.4	-178.2	-57.4	-171.3	12.2	0	0	111.8	F506 S510 T511 L512	F506-Q508 VanDerWaalsContact C-N 3.28Å; Q508-S510 VanDerWaalsContact C-N 3.35Å; Q508-T511 PolarHBondContact O-OG1 3.12Å; Q508-L512 PolarHBondContact O-N 3.17Å
509	H	89.9	Confident	89.1	Confident	92 Å²	92	69.6 Å²	69.6	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-36.3	178.1	178.2	-100.3	0	0	0	112.2	Y497 T511 L512 Q513	Y497-H509 HydrophobicContact CD1-CB 4.01Å; Y497-H509 HydrophobicContact CD2-CB 4.45Å; Y497-H509 VanDerWaalsContact CD2-N 3.33Å; Y497-H509 HydrophobicContact CE1-CB 3.71Å; Y497-H509 HydrophobicContact CE2-CB 4.15Å; Y497-H509 VanDerWaalsContact CE2-N 3.26Å; Y497-H509 HydrophobicContact CG-CB 4.37Å; H509-T511 VanDerWaalsContact C-N 3.32Å; H509-T511 PolarHBondContact O-N 3.45Å; H509-L512 PolarHBondContact O-N 3.12Å; H509-Q513 WeakPolarHBondContact CE1-CG 3.3Å; H509-Q513 PolarHBondContact CE1-NE2 2.86Å; H509-Q513 PolarHBondContact NE2-NE2 2.79Å; H509-Q513 WeakPolarHBondContact O-CG 3.3Å; H509-Q513 PolarHBondContact O-N 3.07Å
510	S	87.7	Confident	88.9	Confident	67 Å²	67	72.4 Å²	72.4	47%	0.469	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-40.4	179.6	43.5	0	0	0	0	112.2	Q508 Q513 T514	Q508-S510 VanDerWaalsContact C-N 3.35Å; S510-Q513 PolarHBondContact O-N 3.44Å; S510-T514 WeakPolarHBondContact O-CG2 3.35Å; S510-T514 PolarHBondContact O-N 3.38Å; S510-T514 PolarHBondContact O-OG1 3.5Å
511	T	88.9	Confident	88.6	Confident	52 Å²	52	67.1 Å²	67.1	32%	0.319	36%	0.361	S	S	.	.	H	α-helix	trans	-70.7	-35.4	177.8	50	0	0	0	0	111.9	F506 Q508 H509 T514 H515	F506-T511 WeakPolarHBondContact CB-OG1 3.3Å; Q508-T511 PolarHBondContact O-OG1 3.12Å; H509-T511 VanDerWaalsContact C-N 3.32Å; H509-T511 PolarHBondContact O-N 3.45Å; T511-T514 WeakPolarHBondContact CA-OG1 3.41Å; T511-T514 PolarHBondContact O-OG1 3.01Å; T511-H515 VanDerWaalsContact O-CB 3.26Å; T511-H515 WeakPolarHBondContact O-CB 3.36Å; T511-H515 PolarHBondContact O-N 2.89Å
512	L	89.7	Confident	88.5	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-46.8	168.5	174.5	63.6	0	0	0	111.2	C499 F506 Q508 H509 T514 H515 R516	C499-L512 HydrophobicContact CB-CD1 3.88Å; F506-L512 HydrophobicContact CB-CB 4.35Å; F506-L512 HydrophobicContact CD2-CB 3.91Å; F506-L512 HydrophobicContact CD2-CD1 3.82Å; F506-L512 HydrophobicContact CD2-CG 4.47Å; F506-L512 HydrophobicContact CE2-CD1 3.98Å; F506-L512 HydrophobicContact CG-CB 4.31Å; Q508-L512 PolarHBondContact O-N 3.17Å; H509-L512 PolarHBondContact O-N 3.12Å; L512-T514 PolarHBondContact O-N 3.23Å; L512-H515 CarbonylContact O-C 3.39Å; L512-H515 WeakPolarHBondContact O-CB 3.29Å; L512-H515 PolarHBondContact O-N 3.36Å; L512-H515 VanDerWaalsContact O-N 3.12Å; L512-R516 HydrophobicContact CD1-CG 4.13Å; L512-R516 HydrophobicContact CG-CG 4.37Å; L512-R516 WeakPolarHBondContact O-CG 2.95Å; L512-R516 PolarHBondContact O-N 3.16Å
513	Q	88.7	Confident	88.3	Confident	67 Å²	67	71.9 Å²	71.9	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-41.4	-179.4	-70.8	-64.9	-19.7	0	0	112.5	H509 S510 H515 R516	H509-Q513 WeakPolarHBondContact CE1-CG 3.3Å; H509-Q513 PolarHBondContact CE1-NE2 2.86Å; H509-Q513 PolarHBondContact NE2-NE2 2.79Å; H509-Q513 WeakPolarHBondContact O-CG 3.3Å; H509-Q513 PolarHBondContact O-N 3.07Å; S510-Q513 PolarHBondContact O-N 3.44Å; Q513-H515 VanDerWaalsContact C-N 3.31Å; Q513-R516 PolarHBondContact O-N 3.13Å
514	T	87.3	Confident	88	Confident	38 Å²	38	67 Å²	67	23%	0.233	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-33.1	174.6	53.3	0	0	0	0	112.1	S510 T511 L512 R517	S510-T514 WeakPolarHBondContact O-CG2 3.35Å; S510-T514 PolarHBondContact O-N 3.38Å; S510-T514 PolarHBondContact O-OG1 3.5Å; T511-T514 WeakPolarHBondContact CA-OG1 3.41Å; T511-T514 PolarHBondContact O-OG1 3.01Å; L512-T514 PolarHBondContact O-N 3.23Å; T514-R517 WeakPolarHBondContact O-CB 3.06Å
515	H	89	Confident	87.7	Confident	18 Å²	18	63.8 Å²	63.8	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-69.3	-40.1	173.9	167	53.2	0	0	0	112.1	C499 C502 F506 T511 L512 Q513 R517 T518 H519	C499-H515 PolarHBondContact SG-NE2 3.16Å; C502-H515 PolarHBondContact SG-NE2 3.18Å; F506-H515 HydrophobicContact CE1-CB 4.11Å; F506-H515 HydrophobicContact CE2-CB 3.93Å; F506-H515 AromaticContact CE2-CD2 3.23Å; F506-H515 WeakPolarHBondContact CE2-CD2 3.48Å; F506-H515 AromaticContact CE2-CG 3.69Å; F506-H515 HydrophobicContact CZ-CB 3.5Å; F506-H515 AromaticContact CZ-CD2 3.37Å; F506-H515 WeakPolarHBondContact CZ-CD2 3.36Å; F506-H515 AromaticContact CZ-CG 3.34Å; T511-H515 VanDerWaalsContact O-CB 3.26Å; T511-H515 WeakPolarHBondContact O-CB 3.36Å; T511-H515 PolarHBondContact O-N 2.89Å; L512-H515 CarbonylContact O-C 3.39Å; L512-H515 WeakPolarHBondContact O-CB 3.29Å; L512-H515 PolarHBondContact O-N 3.36Å; L512-H515 VanDerWaalsContact O-N 3.12Å; Q513-H515 VanDerWaalsContact C-N 3.31Å; H515-R517 PolarHBondContact O-N 3.07Å; H515-R517 VanDerWaalsContact O-N 3.08Å; H515-T518 PolarHBondContact ND1-OG1 3.12Å; H515-T518 WeakPolarHBondContact O-CB 3.42Å; H515-T518 PolarHBondContact O-N 3.4Å; H515-T518 PolarHBondContact O-OG1 3.03Å; H515-H519 AromaticContact CE1-CD2 3.93Å; H515-H519 AromaticContact CE1-NE2 3.33Å; H515-H519 PolarHBondContact CE1-NE2 2.83Å; H515-H519 VanDerWaalsContact CE1-NE2 3.33Å; H515-H519 AromaticContact NE2-CD2 3.94Å; H515-H519 AromaticContact NE2-NE2 3.29Å; H515-H519 PolarHBondContact NE2-NE2 2.9Å
516	R	88.1	Confident	87.3	Confident	103 Å²	103	69 Å²	69	39%	0.389	36%	0.36	S	S	.	.	H	α-helix	trans	-56.4	-30	177.1	-73.9	-179.4	71	-153.4	3.7	112.8	L512 Q513 T518 H519 T520	L512-R516 HydrophobicContact CD1-CG 4.13Å; L512-R516 HydrophobicContact CG-CG 4.37Å; L512-R516 WeakPolarHBondContact O-CG 2.95Å; L512-R516 PolarHBondContact O-N 3.16Å; Q513-R516 PolarHBondContact O-N 3.13Å; R516-T518 PolarHBondContact O-N 3.39Å; R516-H519 PolarHBondContact O-N 3.43Å; R516-T520 PolarHBondContact O-N 3.07Å; R516-T520 VanDerWaalsContact O-N 3.11Å
517	R	88.1	Confident	86.7	Confident	57 Å²	57	68.4 Å²	68.4	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-21.3	173.7	-62.7	175	-176.3	-178.8	-5.6	113.9	T514 H515 H519 T520 G521 E522 P524 S535	T514-R517 WeakPolarHBondContact O-CB 3.06Å; H515-R517 PolarHBondContact O-N 3.07Å; H515-R517 VanDerWaalsContact O-N 3.08Å; R517-H519 VanDerWaalsContact C-N 3.27Å; R517-T520 WeakPolarHBondContact CA-OG1 3.4Å; R517-G521 WeakPolarHBondContact O-CA 3.36Å; R517-G521 PolarHBondContact O-N 3.03Å; R517-E522 HydrophobicContact CB-CB 4.49Å; R517-E522 HydrophobicContact CG-CB 4.23Å; R517-E522 PolarHBondContact O-N 3.34Å; R517-P524 VanDerWaalsContact CZ-CG 3.48Å; R517-S535 VanDerWaalsContact CD-O 3.22Å; R517-S535 WeakPolarHBondContact CD-O 3.39Å; R517-S535 PolarHBondContact NH1-O 2.87Å
518	T	86.2	Confident	86.3	Confident	93 Å²	93	74.3 Å²	74.3	57%	0.571	39%	0.386	S	S	*	.	H	α-helix	trans	-72.7	-24.4	173.4	68.6	0	0	0	0	112.2	H515 R516	H515-T518 PolarHBondContact ND1-OG1 3.12Å; H515-T518 WeakPolarHBondContact O-CB 3.42Å; H515-T518 PolarHBondContact O-N 3.4Å; H515-T518 PolarHBondContact O-OG1 3.03Å; R516-T518 PolarHBondContact O-N 3.39Å
519	H	88.1	Confident	85.8	Confident	73 Å²	73	78.2 Å²	78.2	34%	0.338	40%	0.404	S	S	.	.	H	α-helix	trans	-86.8	-41.8	174.3	-61.8	-76.4	0	0	0	112	E501 C502 H515 R516 R517 G521	E501-H519 WeakPolarHBondContact OE2-CB 3.3Å; E501-H519 IonicContact OE2-CD2 3.69Å; E501-H519 IonicContact OE2-CG 3.18Å; E501-H519 IonicContact OE2-ND1 3.76Å; C502-H519 PolarHBondContact SG-NE2 3.44Å; H515-H519 AromaticContact CE1-CD2 3.93Å; H515-H519 AromaticContact CE1-NE2 3.33Å; H515-H519 PolarHBondContact CE1-NE2 2.83Å; H515-H519 VanDerWaalsContact CE1-NE2 3.33Å; H515-H519 AromaticContact NE2-CD2 3.94Å; H515-H519 AromaticContact NE2-NE2 3.29Å; H515-H519 PolarHBondContact NE2-NE2 2.9Å; R516-H519 PolarHBondContact O-N 3.43Å; R517-H519 VanDerWaalsContact C-N 3.27Å; H519-G521 VanDerWaalsContact C-N 3.34Å
520	T	87.3	Confident	85.3	Confident	72 Å²	72	75.4 Å²	75.4	44%	0.442	40%	0.395	S	S	.	.	H	α-helix	trans	-79.4	-16	180	63.5	0	0	0	0	113.7	R516 R517 E522	R516-T520 PolarHBondContact O-N 3.07Å; R516-T520 VanDerWaalsContact O-N 3.11Å; R517-T520 WeakPolarHBondContact CA-OG1 3.4Å; T520-E522 PolarHBondContact O-N 3.2Å; T520-E522 WeakPolarHBondContact OG1-CB 3.39Å; T520-E522 WeakPolarHBondContact OG1-CG 3.44Å; T520-E522 PolarHBondContact OG1-N 3.33Å
521	G	83.9	Confident	84.8	Confident	52 Å²	52	79.9 Å²	79.9	54%	0.536	41%	0.413	S	S	.	.			trans	71.3	4.7	-172.2	0	0	0	0	0	114.2	R517 H519 K523	R517-G521 WeakPolarHBondContact O-CA 3.36Å; R517-G521 PolarHBondContact O-N 3.03Å; H519-G521 VanDerWaalsContact C-N 3.34Å; G521-K523 PolarHBondContact O-N 3.38Å
522	E	86.3	Confident	84.5	Confident	114 Å²	114	82 Å²	82	53%	0.533	42%	0.419	S	S	.	.			trans	-62.7	123.8	-176.6	-78.8	178.8	-168.5	0	0	112.6	R517 T520 P524	R517-E522 HydrophobicContact CB-CB 4.49Å; R517-E522 HydrophobicContact CG-CB 4.23Å; R517-E522 PolarHBondContact O-N 3.34Å; T520-E522 PolarHBondContact O-N 3.2Å; T520-E522 WeakPolarHBondContact OG1-CB 3.39Å; T520-E522 WeakPolarHBondContact OG1-CG 3.44Å; T520-E522 PolarHBondContact OG1-N 3.33Å; E522-P524 VanDerWaalsContact C-CD 3.47Å; E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.35Å
523	K	86.8	Confident	84.1	Confident	125 Å²	125	81.8 Å²	81.8	54%	0.543	42%	0.421	S	S	.	.			trans	-121.2	73.1	179.1	-75.8	168.1	162.8	-160	0	110.8	G521 F525 G533 F534	G521-K523 PolarHBondContact O-N 3.38Å; K523-F525 VanDerWaalsContact C-N 3.27Å; K523-F525 PolarHBondContact O-N 3.14Å; K523-G533 WeakPolarHBondContact CD-O 3.42Å; K523-G533 WeakPolarHBondContact CE-O 3.47Å; K523-G533 WeakPolarHBondContact CG-O 3.48Å; K523-F534 CarbonylContact C-O 3.58Å; K523-F534 WeakPolarHBondContact CA-O 3.46Å
524	P	83.2	Confident	83.9	Confident	71 Å²	71	80.2 Å²	80.2	46%	0.461	41%	0.413	S	S	.	.			trans	-73.2	-16.2	-173	28.3	-34.3	0	0	0	114	R517 E522	R517-P524 VanDerWaalsContact CZ-CG 3.48Å; E522-P524 VanDerWaalsContact C-CD 3.47Å; E522-P524 VanDerWaalsContact O-CD 3.31Å; E522-P524 WeakPolarHBondContact O-CD 3.35Å
525	F	83.9	Confident	83.7	Confident	57 Å²	57	80 Å²	80	25%	0.25	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	99.1	-179.8	-57	-67.6	0	0	0	109.1	K523 G533 F534 H536 H537 L540	K523-F525 VanDerWaalsContact C-N 3.27Å; K523-F525 PolarHBondContact O-N 3.14Å; F525-G533 CarbonylContact O-C 3.58Å; F525-G533 WeakPolarHBondContact O-CA 3.33Å; F525-F534 HydrophobicContact CB-CB 4.32Å; F525-F534 WeakPolarHBondContact CD2-O 3.12Å; F525-F534 PolarHBondContact N-O 3.37Å; F525-F534 PolarHBondContact O-N 3.49Å; F525-H536 VanDerWaalsContact CD2-C 3.45Å; F525-H537 HydrophobicContact CD1-CB 4.25Å; F525-H537 HydrophobicContact CD2-CB 4.31Å; F525-H537 VanDerWaalsContact CD2-N 3.31Å; F525-H537 HydrophobicContact CE1-CB 3.96Å; F525-H537 AromaticContact CE1-CD2 3.99Å; F525-H537 HydrophobicContact CE2-CB 3.97Å; F525-H537 HydrophobicContact CG-CB 4.42Å; F525-H537 HydrophobicContact CZ-CB 3.82Å; F525-L540 HydrophobicContact CB-CB 4.12Å; F525-L540 HydrophobicContact CB-CD2 3.92Å
526	K	82.3	Confident	83.5	Confident	135 Å²	135	82.8 Å²	82.8	59%	0.587	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.2	176.9	-62.5	-176.4	176.6	-170.8	0	109.3
527	F	79.2	Confident	83.3	Confident	29 Å²	29	82 Å²	82	13%	0.127	43%	0.426	C	S	.	.			trans	-79.5	144.2	167.4	-171.1	-127.8	0	0	0	109	E529 E532 L540 E544 H547	F527-E529 VanDerWaalsContact C-N 3.34Å; F527-E529 HydrophobicContact CD1-CB 3.93Å; F527-E529 HydrophobicContact CD1-CG 4.4Å; F527-E529 HydrophobicContact CE1-CB 3.46Å; F527-E529 VanDerWaalsContact CE1-CB 3.46Å; F527-E529 HydrophobicContact CE1-CG 3.68Å; F527-E529 WeakPolarHBondContact CE1-OE2 3.3Å; F527-E529 HydrophobicContact CZ-CB 4.12Å; F527-E529 HydrophobicContact CZ-CG 3.78Å; F527-E529 WeakPolarHBondContact CZ-OE2 3.47Å; F527-E532 PolarHBondContact N-O 3.15Å; F527-L540 HydrophobicContact CB-CD1 3.71Å; F527-L540 HydrophobicContact CD2-CD1 4.35Å; F527-L540 HydrophobicContact CG-CD1 4.44Å; F527-E544 HydrophobicContact CD2-CG 3.54Å; F527-E544 HydrophobicContact CE2-CB 4.46Å; F527-E544 HydrophobicContact CE2-CG 3.65Å; F527-E544 HydrophobicContact CG-CG 4.44Å; F527-H547 AromaticContact CD1-CD2 3.47Å; F527-H547 VanDerWaalsContact CD1-CD2 3.47Å; F527-H547 WeakPolarHBondContact CD1-CD2 3.15Å; F527-H547 AromaticContact CD1-NE2 3.47Å; F527-H547 WeakPolarHBondContact CD1-NE2 3.44Å; F527-H547 HydrophobicContact CE1-CB 3.98Å; F527-H547 AromaticContact CE1-CD2 3.09Å; F527-H547 WeakPolarHBondContact CE1-CD2 3.45Å; F527-H547 AromaticContact CE1-CE1 3.94Å; F527-H547 AromaticContact CE1-CG 3.44Å; F527-H547 VanDerWaalsContact CE1-CG 3.44Å; F527-H547 AromaticContact CE1-NE2 3.44Å; F527-H547 WeakPolarHBondContact CE1-NE2 3.48Å; F527-H547 HydrophobicContact CZ-CB 4.06Å; F527-H547 AromaticContact CZ-CD2 3.86Å
528	N	78.2	Confident	83.1	Confident	164 Å²	164	85.5 Å²	85.5	88%	0.877	44%	0.441	S	S	*	.	S	Bend	trans	-74.6	-26.8	-175.8	-71.8	-17.8	0	0	0	112.8
529	E	78.7	Confident	83	Confident	148 Å²	148	84.2 Å²	84.2	69%	0.692	43%	0.43	S	S	*	.	S	Bend	trans	-94.4	-4.6	-175	-44	177.5	157.6	0	0	112.8	F527	F527-E529 VanDerWaalsContact C-N 3.34Å; F527-E529 HydrophobicContact CD1-CB 3.93Å; F527-E529 HydrophobicContact CD1-CG 4.4Å; F527-E529 HydrophobicContact CE1-CB 3.46Å; F527-E529 VanDerWaalsContact CE1-CB 3.46Å; F527-E529 HydrophobicContact CE1-CG 3.68Å; F527-E529 WeakPolarHBondContact CE1-OE2 3.3Å; F527-E529 HydrophobicContact CZ-CB 4.12Å; F527-E529 HydrophobicContact CZ-CG 3.78Å; F527-E529 WeakPolarHBondContact CZ-OE2 3.47Å
530	C	79	Confident	82.8	Confident	34 Å²	34	81.3 Å²	81.3	23%	0.23	42%	0.417	C	S	.	.	S	Bend	trans	-150.4	146.1	170.1	71.9	0	0	0	0	111.6	E532 H543	C530-E532 PolarHBondContact O-N 3.01Å; C530-H543 PolarHBondContact SG-NE2 3Å
531	D	77.5	Confident	82.7	Confident	160 Å²	160	81.5 Å²	81.5	86%	0.856	41%	0.413	S	S	*	.			trans	-69.4	12	-177.6	-73.4	-47.5	0	0	0	115.2	G533	D531-G533 PolarHBondContact O-N 3.03Å
532	E	82.4	Confident	82.6	Confident	97 Å²	97	82.5 Å²	82.5	45%	0.453	41%	0.406	S	S	.	.			trans	-69.9	115	174.9	-71.4	-165.1	-176.9	0	0	111.7	F527 C530 F534 H543	F527-E532 PolarHBondContact N-O 3.15Å; C530-E532 PolarHBondContact O-N 3.01Å; E532-F534 HydrophobicContact CB-CE2 3.95Å; E532-F534 HydrophobicContact CB-CZ 3.97Å; E532-F534 WeakPolarHBondContact OE2-CZ 3.39Å; E532-H543 IonicContact OE2-CE1 2.9Å; E532-H543 PolarHBondContact OE2-CE1 3.28Å; E532-H543 IonicContact OE2-ND1 2.96Å; E532-H543 PolarHBondContact OE2-ND1 3.09Å
533	G	83	Confident	82.5	Confident	11 Å²	11	77.8 Å²	77.8	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.4	170.6	0	0	0	0	0	112.9	K523 F525 D531	K523-G533 WeakPolarHBondContact CD-O 3.42Å; K523-G533 WeakPolarHBondContact CE-O 3.47Å; K523-G533 WeakPolarHBondContact CG-O 3.48Å; F525-G533 CarbonylContact O-C 3.58Å; F525-G533 WeakPolarHBondContact O-CA 3.33Å; D531-G533 PolarHBondContact O-N 3.03Å
534	F	84.2	Confident	82.2	Confident	34 Å²	34	75.1 Å²	75.1	15%	0.149	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.8	177.3	-58.3	-83.3	0	0	0	111.8	K523 F525 E532 H536 N539 L540 H543	K523-F534 CarbonylContact C-O 3.58Å; K523-F534 WeakPolarHBondContact CA-O 3.46Å; F525-F534 HydrophobicContact CB-CB 4.32Å; F525-F534 WeakPolarHBondContact CD2-O 3.12Å; F525-F534 PolarHBondContact N-O 3.37Å; F525-F534 PolarHBondContact O-N 3.49Å; E532-F534 HydrophobicContact CB-CE2 3.95Å; E532-F534 HydrophobicContact CB-CZ 3.97Å; E532-F534 WeakPolarHBondContact OE2-CZ 3.39Å; F534-H536 VanDerWaalsContact C-N 3.31Å; F534-N539 HydrophobicContact CB-CB 4.08Å; F534-N539 HydrophobicContact CD1-CB 3.59Å; F534-N539 HydrophobicContact CE1-CB 4.39Å; F534-N539 HydrophobicContact CG-CB 4.03Å; F534-L540 HydrophobicContact CB-CB 4.46Å; F534-L540 HydrophobicContact CD2-CB 3.91Å; F534-L540 HydrophobicContact CD2-CD1 3.97Å; F534-L540 HydrophobicContact CE2-CD1 4.15Å; F534-L540 HydrophobicContact CG-CB 4.38Å; F534-H543 HydrophobicContact CE1-CB 4.21Å; F534-H543 HydrophobicContact CE2-CB 3.71Å; F534-H543 AromaticContact CE2-CG 3.64Å; F534-H543 HydrophobicContact CZ-CB 3.44Å; F534-H543 VanDerWaalsContact CZ-CB 3.44Å; F534-H543 AromaticContact CZ-CG 3.41Å; F534-H543 VanDerWaalsContact CZ-CG 3.41Å; F534-H543 AromaticContact CZ-ND1 3.48Å; F534-H543 WeakPolarHBondContact CZ-ND1 3.37Å
535	S	82.7	Confident	82	Confident	33 Å²	33	77.4 Å²	77.4	23%	0.231	37%	0.372	C	S	.	.	S	Bend	trans	-75.7	-20.7	175.1	57.8	0	0	0	0	112.7	R517	R517-S535 VanDerWaalsContact CD-O 3.22Å; R517-S535 WeakPolarHBondContact CD-O 3.39Å; R517-S535 PolarHBondContact NH1-O 2.87Å
536	H	83.8	Confident	81.7	Confident	77 Å²	77	83.8 Å²	83.8	36%	0.356	40%	0.395	S	S	.	.	S	Bend	trans	-133.3	135.9	-177.3	-164.7	-81.1	0	0	0	111.5	F525 F534 Y538 N539 L540	F525-H536 VanDerWaalsContact CD2-C 3.45Å; F534-H536 VanDerWaalsContact C-N 3.31Å; H536-Y538 VanDerWaalsContact C-N 3.27Å; H536-Y538 WeakPolarHBondContact ND1-CB 3.27Å; H536-Y538 PolarHBondContact ND1-N 3.19Å; H536-Y538 VanDerWaalsContact ND1-N 3.13Å; H536-Y538 PolarHBondContact O-N 3.1Å; H536-N539 WeakPolarHBondContact O-CB 3.45Å; H536-N539 PolarHBondContact O-N 3.16Å; H536-L540 PolarHBondContact O-N 3.29Å
537	H	84.6	Confident	81.4	Confident	85 Å²	85	81.2 Å²	81.2	39%	0.394	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-36.3	-176.5	-177.6	-88.6	0	0	0	113	F525 N539 L540 Q541	F525-H537 HydrophobicContact CD1-CB 4.25Å; F525-H537 HydrophobicContact CD2-CB 4.31Å; F525-H537 VanDerWaalsContact CD2-N 3.31Å; F525-H537 HydrophobicContact CE1-CB 3.96Å; F525-H537 AromaticContact CE1-CD2 3.99Å; F525-H537 HydrophobicContact CE2-CB 3.97Å; F525-H537 HydrophobicContact CG-CB 4.42Å; F525-H537 HydrophobicContact CZ-CB 3.82Å; H537-N539 PolarHBondContact O-N 2.95Å; H537-L540 WeakPolarHBondContact O-CB 3.5Å; H537-L540 PolarHBondContact O-N 3.22Å; H537-Q541 VanDerWaalsContact CE1-CD 3.48Å; H537-Q541 PolarHBondContact CE1-NE2 3.29Å; H537-Q541 VanDerWaalsContact CE1-NE2 3.32Å; H537-Q541 PolarHBondContact O-N 2.8Å
538	Y	84	Confident	81.3	Confident	131 Å²	131	83.8 Å²	83.8	51%	0.514	40%	0.403	S	S	.	.	H	α-helix	trans	-56.7	-37.3	174.8	180	-107.1	0	0	0	113.1	H536 Q541 I542	H536-Y538 VanDerWaalsContact C-N 3.27Å; H536-Y538 WeakPolarHBondContact ND1-CB 3.27Å; H536-Y538 PolarHBondContact ND1-N 3.19Å; H536-Y538 VanDerWaalsContact ND1-N 3.13Å; H536-Y538 PolarHBondContact O-N 3.1Å; Y538-Q541 PolarHBondContact O-N 3.16Å; Y538-I542 HydrophobicContact CD1-CD1 3.91Å; Y538-I542 HydrophobicContact CE1-CD1 3.32Å; Y538-I542 HydrophobicContact CE1-CG1 4.27Å; Y538-I542 HydrophobicContact CE2-CD1 4.34Å; Y538-I542 PolarHBondContact O-N 3.44Å
539	N	84.8	Confident	80.9	Confident	67 Å²	67	86.8 Å²	86.8	36%	0.358	40%	0.402	S	S	.	.	H	α-helix	trans	-71.6	-36.3	179.2	-62.5	-11.2	0	0	0	110.9	F534 H536 H537 I542 H543	F534-N539 HydrophobicContact CB-CB 4.08Å; F534-N539 HydrophobicContact CD1-CB 3.59Å; F534-N539 HydrophobicContact CE1-CB 4.39Å; F534-N539 HydrophobicContact CG-CB 4.03Å; H536-N539 WeakPolarHBondContact O-CB 3.45Å; H536-N539 PolarHBondContact O-N 3.16Å; H537-N539 PolarHBondContact O-N 2.95Å; N539-I542 PolarHBondContact O-N 3.38Å; N539-H543 WeakPolarHBondContact O-CB 3.41Å; N539-H543 PolarHBondContact O-N 3.07Å
540	L	83.7	Confident	79.9	Confident	12 Å²	12	86.5 Å²	86.5	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-47.3	169.6	175.2	64.9	0	0	0	110.7	F525 F527 F534 H536 H537 I542 H543 E544	F525-L540 HydrophobicContact CB-CB 4.12Å; F525-L540 HydrophobicContact CB-CD2 3.92Å; F527-L540 HydrophobicContact CB-CD1 3.71Å; F527-L540 HydrophobicContact CD2-CD1 4.35Å; F527-L540 HydrophobicContact CG-CD1 4.44Å; F534-L540 HydrophobicContact CB-CB 4.46Å; F534-L540 HydrophobicContact CD2-CB 3.91Å; F534-L540 HydrophobicContact CD2-CD1 3.97Å; F534-L540 HydrophobicContact CE2-CD1 4.15Å; F534-L540 HydrophobicContact CG-CB 4.38Å; H536-L540 PolarHBondContact O-N 3.29Å; H537-L540 WeakPolarHBondContact O-CB 3.5Å; H537-L540 PolarHBondContact O-N 3.22Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 2.78Å; L540-H543 CarbonylContact O-C 3.56Å; L540-H543 WeakPolarHBondContact O-CA 3.33Å; L540-H543 WeakPolarHBondContact O-CB 3.44Å; L540-H543 PolarHBondContact O-N 3Å; L540-E544 HydrophobicContact CD1-CG 4.01Å; L540-E544 HydrophobicContact CG-CG 4.15Å; L540-E544 WeakPolarHBondContact O-CG 3.4Å; L540-E544 PolarHBondContact O-N 3.39Å
541	Q	83.8	Confident	79.2	Confident	75 Å²	75	93.8 Å²	93.8	35%	0.35	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-36.9	178.5	-72.2	-175.5	-41.7	0	0	113.5	H537 Y538 H543 R545	H537-Q541 VanDerWaalsContact CE1-CD 3.48Å; H537-Q541 PolarHBondContact CE1-NE2 3.29Å; H537-Q541 VanDerWaalsContact CE1-NE2 3.32Å; H537-Q541 PolarHBondContact O-N 2.8Å; Y538-Q541 PolarHBondContact O-N 3.16Å; Q541-H543 VanDerWaalsContact C-N 3.35Å; Q541-R545 VanDerWaalsContact O-CG 3.26Å; Q541-R545 WeakPolarHBondContact O-CG 3.41Å; Q541-R545 PolarHBondContact O-N 3.03Å
542	I	82.2	Confident	78.5	Confident	74 Å²	74	90.3 Å²	90.3	38%	0.379	41%	0.414	S	S	.	.	H	α-helix	trans	-66.5	-41.8	172.9	-69.7	174.9	0	0	0	110.4	Y538 N539 L540 R545	Y538-I542 HydrophobicContact CD1-CD1 3.91Å; Y538-I542 HydrophobicContact CE1-CD1 3.32Å; Y538-I542 HydrophobicContact CE1-CG1 4.27Å; Y538-I542 HydrophobicContact CE2-CD1 4.34Å; Y538-I542 PolarHBondContact O-N 3.44Å; N539-I542 PolarHBondContact O-N 3.38Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 2.78Å; I542-R545 PolarHBondContact O-N 3.26Å
543	H	83.8	Confident	77.5	Confident	15 Å²	15	95.3 Å²	95.3	7%	0.069	43%	0.43	C	S	.	.	H	α-helix	trans	-65.6	-46.3	179.3	177.3	93.6	0	0	0	111.9	C530 E532 F534 N539 L540 Q541 R545 R546 H547	C530-H543 PolarHBondContact SG-NE2 3Å; E532-H543 IonicContact OE2-CE1 2.9Å; E532-H543 PolarHBondContact OE2-CE1 3.28Å; E532-H543 IonicContact OE2-ND1 2.96Å; E532-H543 PolarHBondContact OE2-ND1 3.09Å; F534-H543 HydrophobicContact CE1-CB 4.21Å; F534-H543 HydrophobicContact CE2-CB 3.71Å; F534-H543 AromaticContact CE2-CG 3.64Å; F534-H543 HydrophobicContact CZ-CB 3.44Å; F534-H543 VanDerWaalsContact CZ-CB 3.44Å; F534-H543 AromaticContact CZ-CG 3.41Å; F534-H543 VanDerWaalsContact CZ-CG 3.41Å; F534-H543 AromaticContact CZ-ND1 3.48Å; F534-H543 WeakPolarHBondContact CZ-ND1 3.37Å; N539-H543 WeakPolarHBondContact O-CB 3.41Å; N539-H543 PolarHBondContact O-N 3.07Å; L540-H543 CarbonylContact O-C 3.56Å; L540-H543 WeakPolarHBondContact O-CA 3.33Å; L540-H543 WeakPolarHBondContact O-CB 3.44Å; L540-H543 PolarHBondContact O-N 3Å; Q541-H543 VanDerWaalsContact C-N 3.35Å; H543-R545 PolarHBondContact O-N 3.35Å; H543-R546 VanDerWaalsContact O-CB 3.28Å; H543-R546 WeakPolarHBondContact O-CB 3.2Å; H543-R546 PolarHBondContact O-N 2.72Å; H543-H547 AromaticContact CD2-CD2 3.72Å; H543-H547 AromaticContact CD2-NE2 3.71Å; H543-H547 AromaticContact CE1-NE2 3.66Å; H543-H547 AromaticContact NE2-CD2 3.41Å; H543-H547 PolarHBondContact NE2-CD2 2.77Å; H543-H547 AromaticContact NE2-NE2 2.9Å; H543-H547 PolarHBondContact NE2-NE2 3.28Å
544	E	81.8	Confident	76.4	Confident	68 Å²	68	103.9 Å²	103.9	32%	0.318	47%	0.465	S	S	.	.	H	α-helix	trans	-53	-39.4	174.8	-75.7	176	166.5	0	0	112	F527 L540 R546 H547 T548	F527-E544 HydrophobicContact CD2-CG 3.54Å; F527-E544 HydrophobicContact CE2-CB 4.46Å; F527-E544 HydrophobicContact CE2-CG 3.65Å; F527-E544 HydrophobicContact CG-CG 4.44Å; L540-E544 HydrophobicContact CD1-CG 4.01Å; L540-E544 HydrophobicContact CG-CG 4.15Å; L540-E544 WeakPolarHBondContact O-CG 3.4Å; L540-E544 PolarHBondContact O-N 3.39Å; E544-R546 PolarHBondContact O-N 3.26Å; E544-H547 WeakPolarHBondContact O-CB 3.23Å; E544-H547 PolarHBondContact O-N 3.01Å; E544-T548 PolarHBondContact O-N 3.19Å
545	R	78.3	Confident	75.5	Confident	120 Å²	120	105.6 Å²	105.6	45%	0.453	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-24.1	177.2	-70.5	169.1	-172.6	-170.9	-0.3	113.9	Q541 I542 H543 H547 T548 R549	Q541-R545 VanDerWaalsContact O-CG 3.26Å; Q541-R545 WeakPolarHBondContact O-CG 3.41Å; Q541-R545 PolarHBondContact O-N 3.03Å; I542-R545 PolarHBondContact O-N 3.26Å; H543-R545 PolarHBondContact O-N 3.35Å; R545-H547 VanDerWaalsContact C-N 3.32Å; R545-T548 WeakPolarHBondContact CA-OG1 3.49Å; R545-R549 PolarHBondContact O-N 3.37Å
546	R	77.7	Confident	74.8	Confident	191 Å²	191	111.9 Å²	111.9	72%	0.721	51%	0.509	S	S	*	.	H	α-helix	trans	-69.7	-34.1	173.4	-60.7	-179.6	70.7	-169.9	1.1	110.9	H543 E544	H543-R546 VanDerWaalsContact O-CB 3.28Å; H543-R546 WeakPolarHBondContact O-CB 3.2Å; H543-R546 PolarHBondContact O-N 2.72Å; E544-R546 PolarHBondContact O-N 3.26Å
547	H	76.6	Confident	73.8	Confident	81 Å²	81	116.7 Å²	116.7	38%	0.375	53%	0.532	S	S	.	.	H	α-helix	trans	-76	-43.2	175.5	-67.2	-72.8	0	0	0	112	F527 H543 E544 R545 R549	F527-H547 AromaticContact CD1-CD2 3.47Å; F527-H547 VanDerWaalsContact CD1-CD2 3.47Å; F527-H547 WeakPolarHBondContact CD1-CD2 3.15Å; F527-H547 AromaticContact CD1-NE2 3.47Å; F527-H547 WeakPolarHBondContact CD1-NE2 3.44Å; F527-H547 HydrophobicContact CE1-CB 3.98Å; F527-H547 AromaticContact CE1-CD2 3.09Å; F527-H547 WeakPolarHBondContact CE1-CD2 3.45Å; F527-H547 AromaticContact CE1-CE1 3.94Å; F527-H547 AromaticContact CE1-CG 3.44Å; F527-H547 VanDerWaalsContact CE1-CG 3.44Å; F527-H547 AromaticContact CE1-NE2 3.44Å; F527-H547 WeakPolarHBondContact CE1-NE2 3.48Å; F527-H547 HydrophobicContact CZ-CB 4.06Å; F527-H547 AromaticContact CZ-CD2 3.86Å; H543-H547 AromaticContact CD2-CD2 3.72Å; H543-H547 AromaticContact CD2-NE2 3.71Å; H543-H547 AromaticContact CE1-NE2 3.66Å; H543-H547 AromaticContact NE2-CD2 3.41Å; H543-H547 PolarHBondContact NE2-CD2 2.77Å; H543-H547 AromaticContact NE2-NE2 2.9Å; H543-H547 PolarHBondContact NE2-NE2 3.28Å; E544-H547 WeakPolarHBondContact O-CB 3.23Å; E544-H547 PolarHBondContact O-N 3.01Å; R545-H547 VanDerWaalsContact C-N 3.32Å; H547-R549 VanDerWaalsContact C-N 3.27Å; H547-R549 PolarHBondContact O-N 2.89Å
548	T	75.7	Confident	72.7	Confident	82 Å²	82	117.7 Å²	117.7	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-77.3	-7	-178.5	64.3	0	0	0	0	114.7	E544 R545 E550	E544-T548 PolarHBondContact O-N 3.19Å; R545-T548 WeakPolarHBondContact CA-OG1 3.49Å; T548-E550 PolarHBondContact O-N 3.21Å
549	R	69.6	Low	71.2	Confident	227 Å²	227	120.1 Å²	120.1	86%	0.857	58%	0.575	S	S	*	*			trans	53.6	16.5	-173.6	-62.4	-175.9	175.2	-172.3	-0.5	114.5	R545 H547 K551	R545-R549 PolarHBondContact O-N 3.37Å; H547-R549 VanDerWaalsContact C-N 3.27Å; H547-R549 PolarHBondContact O-N 2.89Å; R549-K551 PolarHBondContact O-N 3.42Å; R549-K551 VanDerWaalsContact O-N 3.14Å
550	E	59.2	Low	70.5	Confident	143 Å²	143	122.8 Å²	122.8	67%	0.668	59%	0.586	S	S	*	*			trans	-74.9	105.8	177.9	-71.9	-169.7	157.4	0	0	110.4	T548	T548-E550 PolarHBondContact O-N 3.21Å
551	K	63.1	Low	69.8	Low	186 Å²	186	128.6 Å²	128.6	81%	0.809	61%	0.614	S	S	*	*			trans	-67.1	135.4	174.7	-73.3	-178.8	178.3	177.6	0	110.3	R549 Y553	R549-K551 PolarHBondContact O-N 3.42Å; R549-K551 VanDerWaalsContact O-N 3.14Å; K551-Y553 PolarHBondContact O-N 3.34Å; K551-Y553 VanDerWaalsContact O-N 3.09Å
552	P	62.8	Low	69	Low	87 Å²	87	131.6 Å²	131.6	57%	0.565	63%	0.628	S	S	*	*	S	Bend	trans	-69.8	-8.2	-169.8	21.6	-30	0	0	0	116
553	Y	61.4	Low	68.3	Low	202 Å²	202	134.9 Å²	134.9	79%	0.792	64%	0.643	S	S	*	*			trans	-136.1	121.3	-176.6	-54.2	-78	0	0	0	109.9	K551	K551-Y553 PolarHBondContact O-N 3.34Å; K551-Y553 VanDerWaalsContact O-N 3.09Å
554	K	60.4	Low	67.3	Low	191 Å²	191	142.4 Å²	142.4	83%	0.83	68%	0.679	S	S	*	*			trans	-84.5	120.2	159.2	-68.9	-175	178.3	-175.7	0	106.6	I556	K554-I556 PolarHBondContact O-N 3.2Å
555	C	65.6	Low	66.3	Low	70 Å²	70	147.4 Å²	147.4	47%	0.473	70%	0.703	S	S	.	*			trans	-61.1	124.5	170.9	-178.2	0	0	0	0	108.1	Q557 C558	C555-Q557 PolarHBondContact O-N 3.21Å; C555-Q557 VanDerWaalsContact O-N 3.16Å; C555-Q557 PolarHBondContact SG-N 3.4Å; C555-C558 HydrophobicContact CB-CB 4.18Å; C555-C558 PolarHBondContact O-N 3.34Å; C555-C558 VanDerWaalsContact O-N 3.1Å
556	I	66.8	Low	65.5	Low	165 Å²	165	149.4 Å²	149.4	85%	0.846	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.8	179.5	-59.8	168.3	0	0	0	111	K554	K554-I556 PolarHBondContact O-N 3.2Å
557	Q	64.4	Low	64.5	Low	179 Å²	179	146.2 Å²	146.2	84%	0.836	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-89.6	2.2	176.9	-68.6	-161.4	-23.5	0	0	115.2	C555	C555-Q557 PolarHBondContact O-N 3.21Å; C555-Q557 VanDerWaalsContact O-N 3.16Å; C555-Q557 PolarHBondContact SG-N 3.4Å
558	C	60.6	Low	63.5	Low	105 Å²	105	151.6 Å²	151.6	71%	0.709	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-116.7	22.7	180	-57.4	0	0	0	0	113.6	C555	C555-C558 HydrophobicContact CB-CB 4.18Å; C555-C558 PolarHBondContact O-N 3.34Å; C555-C558 VanDerWaalsContact O-N 3.1Å
559	V	52.6	Low	62.4	Low	182 Å²	182	157.9 Å²	157.9	100%	1.103	77%	0.772	S	S	*	*			trans	-110.2	0	163.6	-174.1	0	0	0	0	106.8

Retrieved 559 of 559 residues in 969.7 ms (Link to these results)

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