A0A087WYK5_HUMAN Loading...

Zinc finger protein 107

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WYK5, Species HUMAN (Homo sapiens, Human), Gene ZNF107, Length 820 aa.

						>A0A087WYK5_HUMAN|A0A087WYK5|ZNF107
MEPLTFKDVAIEFSLEEWQCLDTAQRDLYRNVLLENYRNLVFLVMSFHFAQDLWPEQNIKDSFQKVTLRRYGKCEYENLQLRKGCKHVDECTGHKGGHNTVNQCLTATPSKIFQCNKYVKVFDKFSNSNRYKRRHTGNKHFKCKECSKSFCVLSQLTQHRRIHTRVNSYKCEECGKAFNWFSTLTKHKRIHTGEKPYKCEECGKAFNQSSQLTRHKIIHTEEKPNKCEECGKAFKQASHLTIHKIIHTGEKPYKYEECGKVFSQSSHLTTQKILHTGENLYKCKECGKAFNLFSNLTNHKRIHAGEKPYKCKECGRAFNISSNLNKQEKIHTGGKLNKCEECDKAFNRSLKLTAHKKILMEEKPYKCEECGKVFNQFSTLTRHKIIHTGEKPYKCKECGKAFNQSSNLTEHKKIHTAEKSYKCEECGKAFNQHSNLINHRKIYSGEKPYKCEECGKAFNRSSTLTRHKKIHTGEKPYKCEECDRAFSQSSNLTEHKKIHTGEKPYKCEECGKAFNRFSTLTKHKRIHTGEKPYKCEECGKAFNQSYQLTRHKIVHTKEKLNKCEEFGKAFKQSSHRTIHKIIHTGEKPYKCEEHGKVFNQSSNLTTQKIIHTGENLYKFEEHGKAFNLFSNITNHKIIYTGEKPHKCEECGKAYNRFSNLTIHKRIHTGEKPYQCAECGKAFNCSSTLNRHKIIHTGEKPYKCKECGKAFNLSSTLTAHKKIHTGEKPYKCEECGKAFNQSSNLTTHKKIHTSEKPYKCEECGKSFNQFSSLNIHKIIHTGEKPYKCGDYGRAFNLSSNLTTHKKIHTGEKPYKCEYGKT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	48.7	Very low	240 Å²	240	113.1 Å²	113.1	100%	1.182	59%	0.585	S	S	*	*				0	115.8	0	-120	176.9	-170.6	0	0	105.7
2	E	34.7	Very low	49.1	Very low	188 Å²	188	115.9 Å²	115.9	88%	0.879	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.5	173.1	-82.1	177.3	148.8	0	0	109.9	L4	E2-L4 PolarHBondContact O-N 3.05Å
3	P	50.4	Low	49.8	Very low	109 Å²	109	112.9 Å²	112.9	71%	0.708	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.6	179.4	26.4	-30.6	0	0	0	109.8	T5	P3-T5 WeakPolarHBondContact O-CG2 3.23Å; P3-T5 PolarHBondContact O-N 2.92Å; P3-T5 VanDerWaalsContact O-N 3.16Å
4	L	46.6	Very low	50.3	Low	120 Å²	120	108.3 Å²	108.3	63%	0.628	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.4	169.5	-112.5	130.2	0	0	0	109	E2 D8 V9 L40	E2-L4 PolarHBondContact O-N 3.05Å; L4-D8 HydrophobicContact CD2-CB 4.19Å; L4-V9 HydrophobicContact CD2-CG1 4.38Å; L4-L40 WeakPolarHBondContact O-CD2 3.3Å
5	T	51.6	Low	50	Low	68 Å²	68	109.5 Å²	109.5	42%	0.417	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-95.9	162.1	178.5	72.8	0	0	0	0	110.4	P3 K7 D8	P3-T5 WeakPolarHBondContact O-CG2 3.23Å; P3-T5 PolarHBondContact O-N 2.92Å; P3-T5 VanDerWaalsContact O-N 3.16Å; T5-K7 PolarHBondContact O-N 3.38Å; T5-D8 WeakPolarHBondContact CA-OD2 3.17Å; T5-D8 WeakPolarHBondContact CB-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 3.39Å; T5-D8 WeakPolarHBondContact O-CB 3.37Å; T5-D8 PolarHBondContact O-N 3.43Å; T5-D8 PolarHBondContact OG1-OD2 3.25Å
6	F	47.5	Very low	50	Low	76 Å²	76	111.1 Å²	111.1	33%	0.333	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-63.1	-26.2	178.1	-175	-108.7	0	0	0	112.6	D8 V9 A10 L33 Y37	F6-D8 PolarHBondContact O-N 3.43Å; F6-V9 HydrophobicContact CD2-CG2 4.34Å; F6-V9 WeakPolarHBondContact O-CG2 3.43Å; F6-V9 PolarHBondContact O-N 3.43Å; F6-A10 HydrophobicContact CD1-CB 4.37Å; F6-A10 HydrophobicContact CE1-CB 4.16Å; F6-A10 WeakPolarHBondContact O-CB 3.19Å; F6-A10 PolarHBondContact O-N 3.23Å; F6-L33 HydrophobicContact CZ-CD2 4.05Å; F6-Y37 AromaticContact CD2-CD2 3.95Å; F6-Y37 HydrophobicContact CD2-CD2 3.95Å; F6-Y37 HydrophobicContact CE2-CD2 4.03Å; F6-Y37 HydrophobicContact CE2-CG 4.32Å; F6-Y37 HydrophobicContact CG-CD2 4.46Å
7	K	52.3	Low	49.9	Very low	160 Å²	160	110.6 Å²	110.6	70%	0.696	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-63.4	-28.9	174.7	-74.7	-170.7	171.2	-170	0	112.4	T5 V9	T5-K7 PolarHBondContact O-N 3.38Å; K7-V9 PolarHBondContact O-N 3.04Å
8	D	51.3	Low	50.4	Low	104 Å²	104	108.1 Å²	108.1	56%	0.556	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-74.8	-11.9	-178.6	-53.6	-46.6	0	0	0	113.4	L4 T5 F6	L4-D8 HydrophobicContact CD2-CB 4.19Å; T5-D8 WeakPolarHBondContact CA-OD2 3.17Å; T5-D8 WeakPolarHBondContact CB-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 3.39Å; T5-D8 WeakPolarHBondContact O-CB 3.37Å; T5-D8 PolarHBondContact O-N 3.43Å; T5-D8 PolarHBondContact OG1-OD2 3.25Å; F6-D8 PolarHBondContact O-N 3.43Å
9	V	54.2	Low	50.4	Low	47 Å²	47	109.5 Å²	109.5	29%	0.285	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	3.8	178.5	-77.3	0	0	0	0	113.5	L4 F6 K7 N36 L40	L4-V9 HydrophobicContact CD2-CG1 4.38Å; F6-V9 HydrophobicContact CD2-CG2 4.34Å; F6-V9 WeakPolarHBondContact O-CG2 3.43Å; F6-V9 PolarHBondContact O-N 3.43Å; K7-V9 PolarHBondContact O-N 3.04Å; V9-N36 PolarHBondContact O-ND2 3.47Å; V9-L40 HydrophobicContact CB-CD1 4.37Å; V9-L40 HydrophobicContact CG1-CD1 4.38Å; V9-L40 HydrophobicContact CG2-CD1 3.24Å
10	A	50.1	Low	50.3	Low	24 Å²	24	109.6 Å²	109.6	20%	0.198	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-85.3	130.7	170.7	0	0	0	0	0	108.7	F6 L33	F6-A10 HydrophobicContact CD1-CB 4.37Å; F6-A10 HydrophobicContact CE1-CB 4.16Å; F6-A10 WeakPolarHBondContact O-CB 3.19Å; F6-A10 PolarHBondContact O-N 3.23Å; A10-L33 HydrophobicContact CB-CD2 4.08Å
11	I	57.8	Low	50.4	Low	108 Å²	108	105.9 Å²	105.9	55%	0.554	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-92.6	118.9	167.3	-62.2	172.7	0	0	0	104.8	Y29	I11-Y29 HydrophobicContact CB-CE2 4.21Å; I11-Y29 WeakPolarHBondContact O-CE2 3.38Å; I11-Y29 PolarHBondContact O-OH 3.47Å
12	E	52.9	Low	50.9	Low	147 Å²	147	98.3 Å²	98.3	69%	0.687	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-94	141.7	177.1	-65.8	-176.1	173.9	0	0	109.5
13	F	58.3	Low	51.3	Low	77 Å²	77	94.6 Å²	94.6	34%	0.338	50%	0.496	S	S	.	.			trans	-111.5	140.8	173.2	-73.9	-69.4	0	0	0	109	E17 W18 L21 Y29	F13-E17 HydrophobicContact CB-CB 4.33Å; F13-E17 HydrophobicContact CD1-CB 4.13Å; F13-W18 HydrophobicContact CB-CE3 4.14Å; F13-W18 AromaticContact CD2-CE3 3.78Å; F13-W18 HydrophobicContact CD2-CE3 3.78Å; F13-W18 AromaticContact CD2-CZ3 3.87Å; F13-W18 HydrophobicContact CD2-CZ3 3.87Å; F13-W18 HydrophobicContact CE2-CZ3 4.37Å; F13-W18 HydrophobicContact CG-CE3 4.25Å; F13-L21 HydrophobicContact CD1-CD1 4.47Å; F13-L21 HydrophobicContact CD2-CD1 4.1Å; F13-L21 HydrophobicContact CE1-CD1 4.3Å; F13-L21 HydrophobicContact CE2-CD1 3.86Å; F13-L21 HydrophobicContact CG-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.99Å; F13-Y29 HydrophobicContact CD2-CD1 4.47Å; F13-Y29 AromaticContact CD2-CD2 3.95Å; F13-Y29 HydrophobicContact CD2-CD2 3.95Å; F13-Y29 HydrophobicContact CD2-CE1 4.18Å; F13-Y29 AromaticContact CD2-CE2 3.62Å; F13-Y29 HydrophobicContact CD2-CE2 3.62Å; F13-Y29 HydrophobicContact CD2-CG 4.29Å; F13-Y29 AromaticContact CD2-CZ 3.71Å; F13-Y29 HydrophobicContact CE2-CD1 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.31Å; F13-Y29 HydrophobicContact CE2-CD2 3.31Å; F13-Y29 HydrophobicContact CE2-CE1 4.44Å; F13-Y29 AromaticContact CE2-CE2 3.41Å; F13-Y29 HydrophobicContact CE2-CE2 3.41Å; F13-Y29 VanDerWaalsContact CE2-CE2 3.41Å; F13-Y29 AromaticContact CE2-CG 3.76Å; F13-Y29 HydrophobicContact CE2-CG 3.76Å; F13-Y29 AromaticContact CE2-CZ 3.97Å; F13-Y29 HydrophobicContact CZ-CD2 4.31Å
14	S	57.2	Low	50.9	Low	48 Å²	48	92.8 Å²	92.8	34%	0.336	49%	0.49	S	S	.	.			trans	-67.1	165	168.5	94.3	0	0	0	0	110.9	E16 E17 W18	S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 3.13Å; S14-E16 PolarHBondContact OG-N 3.38Å; S14-E16 PolarHBondContact OG-OE2 3.45Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 3.46Å; S14-E17 WeakPolarHBondContact OG-CG 3.44Å; S14-E17 PolarHBondContact OG-N 3.17Å; S14-W18 WeakPolarHBondContact O-CB 3.4Å; S14-W18 PolarHBondContact O-N 3.43Å
15	L	45.3	Very low	50.8	Low	127 Å²	127	91.3 Å²	91.3	67%	0.665	48%	0.48	S	S	*	.	H	α-helix	trans	-65	-35.2	179.6	-165.9	70.1	0	0	0	111.6	Q19	L15-Q19 WeakPolarHBondContact O-CG 3.29Å; L15-Q19 PolarHBondContact O-N 3.25Å
16	E	49.6	Very low	50.8	Low	134 Å²	134	91.4 Å²	91.4	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-69.4	-42.6	174.1	-55.4	86.7	-171.5	0	0	111.7	S14 W18 Q19 C20	S14-E16 VanDerWaalsContact C-N 3.29Å; S14-E16 PolarHBondContact O-N 3.13Å; S14-E16 PolarHBondContact OG-N 3.38Å; S14-E16 PolarHBondContact OG-OE2 3.45Å; E16-W18 VanDerWaalsContact C-N 3.33Å; E16-W18 PolarHBondContact O-N 3.31Å; E16-Q19 PolarHBondContact O-N 3.04Å; E16-C20 PolarHBondContact O-N 2.81Å; E16-C20 PolarHBondContact O-SG 2.78Å
17	E	48.4	Very low	50.6	Low	104 Å²	104	91.5 Å²	91.5	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-39.5	177.7	-69.2	176.7	150.7	0	0	111.9	F13 S14 Q19 C20 L21	F13-E17 HydrophobicContact CB-CB 4.33Å; F13-E17 HydrophobicContact CD1-CB 4.13Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 3.46Å; S14-E17 WeakPolarHBondContact OG-CG 3.44Å; S14-E17 PolarHBondContact OG-N 3.17Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.87Å; E17-C20 PolarHBondContact O-N 3.18Å; E17-L21 PolarHBondContact O-N 2.87Å
18	W	59.1	Low	50.4	Low	65 Å²	65	89.3 Å²	89.3	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-63.6	-37.9	176.9	-171	-100.9	0	0	0	111.8	F13 S14 E16 C20 L21 R26 Y29	F13-W18 HydrophobicContact CB-CE3 4.14Å; F13-W18 AromaticContact CD2-CE3 3.78Å; F13-W18 HydrophobicContact CD2-CE3 3.78Å; F13-W18 AromaticContact CD2-CZ3 3.87Å; F13-W18 HydrophobicContact CD2-CZ3 3.87Å; F13-W18 HydrophobicContact CE2-CZ3 4.37Å; F13-W18 HydrophobicContact CG-CE3 4.25Å; S14-W18 WeakPolarHBondContact O-CB 3.4Å; S14-W18 PolarHBondContact O-N 3.43Å; E16-W18 VanDerWaalsContact C-N 3.33Å; E16-W18 PolarHBondContact O-N 3.31Å; W18-C20 VanDerWaalsContact C-N 3.29Å; W18-C20 PolarHBondContact O-N 2.8Å; W18-L21 HydrophobicContact CE3-CD1 3.83Å; W18-L21 HydrophobicContact CZ3-CD1 4.1Å; W18-L21 PolarHBondContact O-N 3.41Å; W18-R26 HydrophobicContact CD2-CG 4.44Å; W18-R26 HydrophobicContact CH2-CB 4Å; W18-R26 HydrophobicContact CH2-CG 4.02Å; W18-R26 HydrophobicContact CZ2-CB 3.94Å; W18-R26 HydrophobicContact CZ2-CG 3.79Å; W18-R26 HydrophobicContact CZ3-CG 4.44Å; W18-R26 PolarHBondContact O-NE 2.92Å; W18-R26 PolarHBondContact O-NH2 3Å; W18-Y29 HydrophobicContact CE3-CE1 4.5Å; W18-Y29 AromaticContact CH2-CD1 3.54Å; W18-Y29 HydrophobicContact CH2-CD1 3.54Å; W18-Y29 AromaticContact CH2-CE1 3.9Å; W18-Y29 HydrophobicContact CH2-CE1 3.9Å; W18-Y29 HydrophobicContact CH2-CG 4.49Å; W18-Y29 AromaticContact CZ3-CD1 3.32Å; W18-Y29 HydrophobicContact CZ3-CD1 3.32Å; W18-Y29 AromaticContact CZ3-CE1 3.47Å; W18-Y29 HydrophobicContact CZ3-CE1 3.47Å; W18-Y29 VanDerWaalsContact CZ3-CE1 3.47Å; W18-Y29 HydrophobicContact CZ3-CG 4.07Å
19	Q	50.4	Low	50.6	Low	134 Å²	134	86.7 Å²	86.7	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-66	-30.1	178.2	-75.4	179.9	14.1	0	0	112.8	L15 E16 E17 L21 R26	L15-Q19 WeakPolarHBondContact O-CG 3.29Å; L15-Q19 PolarHBondContact O-N 3.25Å; E16-Q19 PolarHBondContact O-N 3.04Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.87Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-R26 VanDerWaalsContact CA-NH2 3.31Å; Q19-R26 PolarHBondContact O-NH2 3.43Å
20	C	49.5	Very low	50.5	Low	111 Å²	111	91.2 Å²	91.2	75%	0.75	47%	0.467	S	S	*	.	H	α-helix	trans	-77.1	-14.1	176.5	-67	0	0	0	0	114.7	E16 E17 W18	E16-C20 PolarHBondContact O-N 2.81Å; E16-C20 PolarHBondContact O-SG 2.78Å; E17-C20 PolarHBondContact O-N 3.18Å; W18-C20 VanDerWaalsContact C-N 3.29Å; W18-C20 PolarHBondContact O-N 2.8Å
21	L	51.3	Low	50.3	Low	32 Å²	32	95 Å²	95	17%	0.168	48%	0.483	C	S	.	.	S	Bend	trans	-78.9	132.7	178	-63.6	173.9	0	0	0	111.6	F13 E17 W18 Q19 Q25 R26	F13-L21 HydrophobicContact CD1-CD1 4.47Å; F13-L21 HydrophobicContact CD2-CD1 4.1Å; F13-L21 HydrophobicContact CE1-CD1 4.3Å; F13-L21 HydrophobicContact CE2-CD1 3.86Å; F13-L21 HydrophobicContact CG-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.99Å; E17-L21 PolarHBondContact O-N 2.87Å; W18-L21 HydrophobicContact CE3-CD1 3.83Å; W18-L21 HydrophobicContact CZ3-CD1 4.1Å; W18-L21 PolarHBondContact O-N 3.41Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; L21-Q25 HydrophobicContact CB-CB 4.25Å; L21-Q25 HydrophobicContact CD2-CB 4.11Å; L21-R26 HydrophobicContact CB-CG 3.63Å; L21-R26 HydrophobicContact CD1-CG 4.28Å; L21-R26 PolarHBondContact O-NE 3.06Å; L21-R26 VanDerWaalsContact O-NE 3.09Å; L21-R26 PolarHBondContact O-NH2 2.77Å; L21-R26 VanDerWaalsContact O-NH2 3.08Å
22	D	49.8	Very low	49.9	Very low	82 Å²	82	93 Å²	93	44%	0.439	48%	0.476	S	S	.	.			trans	-70.8	167.8	170.5	74.2	45.6	0	0	0	111.8	A24 Q25 R26	D22-A24 PolarHBondContact O-N 3.33Å; D22-A24 WeakPolarHBondContact OD1-CA 3.36Å; D22-A24 WeakPolarHBondContact OD1-CB 3.46Å; D22-A24 PolarHBondContact OD1-N 3.11Å; D22-Q25 PolarHBondContact O-N 3.2Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.36Å; D22-Q25 PolarHBondContact OD1-N 3.13Å; D22-R26 WeakPolarHBondContact O-CG 3.37Å; D22-R26 PolarHBondContact O-N 2.98Å
23	T	43.8	Very low	50	Low	109 Å²	109	87.5 Å²	87.5	67%	0.669	45%	0.451	S	S	*	.	H	α-helix	trans	-59.2	-34.9	-175.9	-31.7	0	0	0	0	112.8	D27	T23-D27 WeakPolarHBondContact O-CB 3.49Å; T23-D27 PolarHBondContact O-N 3.2Å; T23-D27 VanDerWaalsContact O-N 3.14Å
24	A	41.7	Very low	49.5	Very low	71 Å²	71	88 Å²	88	59%	0.587	46%	0.457	S	S	*	.	H	α-helix	trans	-74.7	-36.3	-179.6	0	0	0	0	0	111.8	D22 D27 L28	D22-A24 PolarHBondContact O-N 3.33Å; D22-A24 WeakPolarHBondContact OD1-CA 3.36Å; D22-A24 WeakPolarHBondContact OD1-CB 3.46Å; D22-A24 PolarHBondContact OD1-N 3.11Å; A24-D27 PolarHBondContact O-N 3.43Å; A24-L28 WeakPolarHBondContact O-CB 3.34Å; A24-L28 PolarHBondContact O-N 3.19Å
25	Q	45.4	Very low	49.1	Very low	90 Å²	90	90 Å²	90	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-69.2	-40.6	176.1	-67.5	173.3	-17.2	0	0	112	L21 D22 D27 L28 Y29	L21-Q25 HydrophobicContact CB-CB 4.25Å; L21-Q25 HydrophobicContact CD2-CB 4.11Å; D22-Q25 PolarHBondContact O-N 3.2Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.36Å; D22-Q25 PolarHBondContact OD1-N 3.13Å; Q25-D27 VanDerWaalsContact C-N 3.33Å; Q25-D27 PolarHBondContact O-N 3.12Å; Q25-L28 PolarHBondContact O-N 3.35Å; Q25-Y29 PolarHBondContact O-N 3.21Å
26	R	51.8	Low	49.2	Very low	70 Å²	70	86.4 Å²	86.4	26%	0.264	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-39	173.9	-68.3	-179.4	-176.2	153.1	10.5	112.1	W18 Q19 L21 D22 R30	W18-R26 HydrophobicContact CD2-CG 4.44Å; W18-R26 HydrophobicContact CH2-CB 4Å; W18-R26 HydrophobicContact CH2-CG 4.02Å; W18-R26 HydrophobicContact CZ2-CB 3.94Å; W18-R26 HydrophobicContact CZ2-CG 3.79Å; W18-R26 HydrophobicContact CZ3-CG 4.44Å; W18-R26 PolarHBondContact O-NE 2.92Å; W18-R26 PolarHBondContact O-NH2 3Å; Q19-R26 VanDerWaalsContact CA-NH2 3.31Å; Q19-R26 PolarHBondContact O-NH2 3.43Å; L21-R26 HydrophobicContact CB-CG 3.63Å; L21-R26 HydrophobicContact CD1-CG 4.28Å; L21-R26 PolarHBondContact O-NE 3.06Å; L21-R26 VanDerWaalsContact O-NE 3.09Å; L21-R26 PolarHBondContact O-NH2 2.77Å; L21-R26 VanDerWaalsContact O-NH2 3.08Å; D22-R26 WeakPolarHBondContact O-CG 3.37Å; D22-R26 PolarHBondContact O-N 2.98Å; R26-R30 WeakPolarHBondContact O-CG 3.44Å; R26-R30 PolarHBondContact O-N 3.03Å; R26-R30 VanDerWaalsContact O-N 3.08Å
27	D	43.3	Very low	49.1	Very low	78 Å²	78	86.3 Å²	86.3	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-69.9	-37.5	175.8	-81	-14.9	0	0	0	112.3	T23 A24 Q25 R30 N31	T23-D27 WeakPolarHBondContact O-CB 3.49Å; T23-D27 PolarHBondContact O-N 3.2Å; T23-D27 VanDerWaalsContact O-N 3.14Å; A24-D27 PolarHBondContact O-N 3.43Å; Q25-D27 VanDerWaalsContact C-N 3.33Å; Q25-D27 PolarHBondContact O-N 3.12Å; D27-R30 PolarHBondContact O-N 3.34Å; D27-N31 PolarHBondContact O-N 3.3Å; D27-N31 PolarHBondContact O-ND2 3.27Å
28	L	47.9	Very low	49	Very low	114 Å²	114	88.5 Å²	88.5	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-62.5	-46.7	174.2	-177.3	63.8	0	0	0	111.2	A24 Q25 R30 N31 V32	A24-L28 WeakPolarHBondContact O-CB 3.34Å; A24-L28 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 3.35Å; L28-R30 PolarHBondContact O-N 3.35Å; L28-N31 PolarHBondContact O-N 2.86Å; L28-V32 HydrophobicContact CD1-CG2 4.47Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 2.99Å
29	Y	54.4	Low	48.6	Very low	48 Å²	48	89.2 Å²	89.2	19%	0.188	45%	0.45	C	S	.	.	H	α-helix	trans	-58.8	-45.9	176.5	170.9	-101.6	0	0	0	112.5	I11 F13 W18 Q25 N31 V32 L33	I11-Y29 HydrophobicContact CB-CE2 4.21Å; I11-Y29 WeakPolarHBondContact O-CE2 3.38Å; I11-Y29 PolarHBondContact O-OH 3.47Å; F13-Y29 HydrophobicContact CD2-CD1 4.47Å; F13-Y29 AromaticContact CD2-CD2 3.95Å; F13-Y29 HydrophobicContact CD2-CD2 3.95Å; F13-Y29 HydrophobicContact CD2-CE1 4.18Å; F13-Y29 AromaticContact CD2-CE2 3.62Å; F13-Y29 HydrophobicContact CD2-CE2 3.62Å; F13-Y29 HydrophobicContact CD2-CG 4.29Å; F13-Y29 AromaticContact CD2-CZ 3.71Å; F13-Y29 HydrophobicContact CE2-CD1 4.37Å; F13-Y29 AromaticContact CE2-CD2 3.31Å; F13-Y29 HydrophobicContact CE2-CD2 3.31Å; F13-Y29 HydrophobicContact CE2-CE1 4.44Å; F13-Y29 AromaticContact CE2-CE2 3.41Å; F13-Y29 HydrophobicContact CE2-CE2 3.41Å; F13-Y29 VanDerWaalsContact CE2-CE2 3.41Å; F13-Y29 AromaticContact CE2-CG 3.76Å; F13-Y29 HydrophobicContact CE2-CG 3.76Å; F13-Y29 AromaticContact CE2-CZ 3.97Å; F13-Y29 HydrophobicContact CZ-CD2 4.31Å; W18-Y29 HydrophobicContact CE3-CE1 4.5Å; W18-Y29 AromaticContact CH2-CD1 3.54Å; W18-Y29 HydrophobicContact CH2-CD1 3.54Å; W18-Y29 AromaticContact CH2-CE1 3.9Å; W18-Y29 HydrophobicContact CH2-CE1 3.9Å; W18-Y29 HydrophobicContact CH2-CG 4.49Å; W18-Y29 AromaticContact CZ3-CD1 3.32Å; W18-Y29 HydrophobicContact CZ3-CD1 3.32Å; W18-Y29 AromaticContact CZ3-CE1 3.47Å; W18-Y29 HydrophobicContact CZ3-CE1 3.47Å; W18-Y29 VanDerWaalsContact CZ3-CE1 3.47Å; W18-Y29 HydrophobicContact CZ3-CG 4.07Å; Q25-Y29 PolarHBondContact O-N 3.21Å; Y29-N31 VanDerWaalsContact C-N 3.31Å; Y29-N31 PolarHBondContact O-N 3.11Å; Y29-V32 PolarHBondContact O-N 3.25Å; Y29-L33 HydrophobicContact CD1-CD1 3.92Å; Y29-L33 HydrophobicContact CD2-CD1 4.37Å; Y29-L33 HydrophobicContact CD2-CG 4.38Å; Y29-L33 HydrophobicContact CE1-CD1 3.28Å; Y29-L33 HydrophobicContact CE1-CG 4.25Å; Y29-L33 HydrophobicContact CE2-CD1 3.8Å; Y29-L33 HydrophobicContact CE2-CD2 4.5Å; Y29-L33 HydrophobicContact CE2-CG 4.03Å; Y29-L33 HydrophobicContact CG-CD1 4.48Å; Y29-L33 PolarHBondContact O-N 3.28Å; Y29-L33 WeakPolarHBondContact OH-CD1 3.01Å
30	R	51.7	Low	48.5	Very low	143 Å²	143	84.1 Å²	84.1	54%	0.54	43%	0.427	S	S	.	.	H	α-helix	trans	-58.8	-42.3	175.5	-79	177.1	177.1	166.7	-1.7	112.1	R26 D27 L28 L34	R26-R30 WeakPolarHBondContact O-CG 3.44Å; R26-R30 PolarHBondContact O-N 3.03Å; R26-R30 VanDerWaalsContact O-N 3.08Å; D27-R30 PolarHBondContact O-N 3.34Å; L28-R30 PolarHBondContact O-N 3.35Å; R30-L34 WeakPolarHBondContact O-CB 3.39Å; R30-L34 WeakPolarHBondContact O-CD1 3.45Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 2.98Å
31	N	46	Very low	48.3	Very low	103 Å²	103	81.7 Å²	81.7	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-65.8	-40.2	178.2	-76.3	-50.2	0	0	0	112.2	D27 L28 Y29 L34 E35	D27-N31 PolarHBondContact O-N 3.3Å; D27-N31 PolarHBondContact O-ND2 3.27Å; L28-N31 PolarHBondContact O-N 2.86Å; Y29-N31 VanDerWaalsContact C-N 3.31Å; Y29-N31 PolarHBondContact O-N 3.11Å; N31-L34 PolarHBondContact O-N 3.49Å; N31-E35 WeakPolarHBondContact O-CB 3.42Å; N31-E35 PolarHBondContact O-N 3.26Å
32	V	51.1	Low	48.1	Very low	66 Å²	66	86.8 Å²	86.8	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-67.3	-45.1	178.2	172.3	0	0	0	0	111.4	L28 Y29 L34 E35 N36	L28-V32 HydrophobicContact CD1-CG2 4.47Å; L28-V32 WeakPolarHBondContact O-CG2 3.41Å; L28-V32 PolarHBondContact O-N 2.99Å; Y29-V32 PolarHBondContact O-N 3.25Å; V32-L34 PolarHBondContact O-N 3.07Å; V32-E35 PolarHBondContact O-N 3.12Å; V32-N36 PolarHBondContact O-N 3.3Å
33	L	54.8	Low	47.9	Very low	32 Å²	32	88.3 Å²	88.3	17%	0.168	44%	0.437	C	S	.	.	H	α-helix	trans	-62.3	-41.1	175.8	-78.8	179.6	0	0	0	112.6	F6 A10 Y29 E35 N36 Y37	F6-L33 HydrophobicContact CZ-CD2 4.05Å; A10-L33 HydrophobicContact CB-CD2 4.08Å; Y29-L33 HydrophobicContact CD1-CD1 3.92Å; Y29-L33 HydrophobicContact CD2-CD1 4.37Å; Y29-L33 HydrophobicContact CD2-CG 4.38Å; Y29-L33 HydrophobicContact CE1-CD1 3.28Å; Y29-L33 HydrophobicContact CE1-CG 4.25Å; Y29-L33 HydrophobicContact CE2-CD1 3.8Å; Y29-L33 HydrophobicContact CE2-CD2 4.5Å; Y29-L33 HydrophobicContact CE2-CG 4.03Å; Y29-L33 HydrophobicContact CG-CD1 4.48Å; Y29-L33 PolarHBondContact O-N 3.28Å; Y29-L33 WeakPolarHBondContact OH-CD1 3.01Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.37Å; L33-N36 PolarHBondContact O-N 2.97Å; L33-Y37 WeakPolarHBondContact O-CB 3.21Å; L33-Y37 PolarHBondContact O-N 3.01Å
34	L	47.6	Very low	47.9	Very low	87 Å²	87	86.9 Å²	86.9	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-37.9	175.5	-90.1	159.5	0	0	0	112.1	R30 N31 V32 R38	R30-L34 WeakPolarHBondContact O-CB 3.39Å; R30-L34 WeakPolarHBondContact O-CD1 3.45Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 2.98Å; N31-L34 PolarHBondContact O-N 3.49Å; V32-L34 PolarHBondContact O-N 3.07Å; L34-R38 VanDerWaalsContact O-CG 3.27Å; L34-R38 WeakPolarHBondContact O-CG 2.96Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.13Å
35	E	47.8	Very low	47.7	Very low	90 Å²	90	88.4 Å²	88.4	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-75.1	-39.5	179	-159.6	67.1	-176.6	0	0	111.7	N31 V32 L33 Y37 R38 N39	N31-E35 WeakPolarHBondContact O-CB 3.42Å; N31-E35 PolarHBondContact O-N 3.26Å; V32-E35 PolarHBondContact O-N 3.12Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.37Å; E35-Y37 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 2.95Å; E35-R38 PolarHBondContact O-N 3.03Å; E35-R38 IonicContact OE2-NH1 3.45Å; E35-R38 PolarHBondContact OE2-NH1 2.95Å; E35-R38 VanDerWaalsContact OE2-NH1 3.08Å; E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 3.31Å; E35-N39 PolarHBondContact O-ND2 3.42Å; E35-N39 VanDerWaalsContact O-ND2 3.13Å
36	N	47.6	Very low	47.4	Very low	52 Å²	52	86.7 Å²	86.7	28%	0.278	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-42.5	172.7	-73.7	-3	0	0	0	111.7	V9 V32 L33 R38 N39 L40	V9-N36 PolarHBondContact O-ND2 3.47Å; V32-N36 PolarHBondContact O-N 3.3Å; L33-N36 PolarHBondContact O-N 2.97Å; N36-R38 PolarHBondContact O-N 3.06Å; N36-N39 PolarHBondContact O-N 3.36Å; N36-L40 PolarHBondContact O-N 2.9Å
37	Y	47.4	Very low	46.7	Very low	132 Å²	132	90.9 Å²	90.9	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-59.9	-46.3	174.8	-179.3	-100.6	0	0	0	111.7	F6 L33 E35 N39 L40 V41	F6-Y37 AromaticContact CD2-CD2 3.95Å; F6-Y37 HydrophobicContact CD2-CD2 3.95Å; F6-Y37 HydrophobicContact CE2-CD2 4.03Å; F6-Y37 HydrophobicContact CE2-CG 4.32Å; F6-Y37 HydrophobicContact CG-CD2 4.46Å; L33-Y37 WeakPolarHBondContact O-CB 3.21Å; L33-Y37 PolarHBondContact O-N 3.01Å; E35-Y37 VanDerWaalsContact C-N 3.34Å; E35-Y37 PolarHBondContact O-N 2.95Å; Y37-N39 VanDerWaalsContact C-N 3.3Å; Y37-N39 PolarHBondContact O-N 2.97Å; Y37-L40 PolarHBondContact O-N 3.34Å; Y37-V41 HydrophobicContact CD1-CG2 4.3Å; Y37-V41 HydrophobicContact CE1-CG2 3.92Å; Y37-V41 HydrophobicContact CE2-CG2 4.3Å; Y37-V41 VanDerWaalsContact O-CG2 3.31Å; Y37-V41 WeakPolarHBondContact O-CG2 3.24Å; Y37-V41 PolarHBondContact O-N 2.93Å
38	R	47	Very low	46.2	Very low	149 Å²	149	93.5 Å²	93.5	56%	0.562	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-39.3	177	-74.9	169.2	-179.3	169.6	4	112.4	L34 E35 N36 F42	L34-R38 VanDerWaalsContact O-CG 3.27Å; L34-R38 WeakPolarHBondContact O-CG 2.96Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.13Å; E35-R38 PolarHBondContact O-N 3.03Å; E35-R38 IonicContact OE2-NH1 3.45Å; E35-R38 PolarHBondContact OE2-NH1 2.95Å; E35-R38 VanDerWaalsContact OE2-NH1 3.08Å; N36-R38 PolarHBondContact O-N 3.06Å; R38-F42 WeakPolarHBondContact O-CB 2.94Å; R38-F42 PolarHBondContact O-N 3.15Å
39	N	50	Low	45.5	Very low	80 Å²	80	94.8 Å²	94.8	43%	0.428	45%	0.453	S	S	.	.	H	α-helix	trans	-69.7	-39.4	179.5	-71.3	-32.5	0	0	0	112.2	E35 N36 Y37 F42 L43	E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 3.31Å; E35-N39 PolarHBondContact O-ND2 3.42Å; E35-N39 VanDerWaalsContact O-ND2 3.13Å; N36-N39 PolarHBondContact O-N 3.36Å; Y37-N39 VanDerWaalsContact C-N 3.3Å; Y37-N39 PolarHBondContact O-N 2.97Å; N39-F42 PolarHBondContact O-N 3.5Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 3.49Å
40	L	48.3	Very low	44.6	Very low	28 Å²	28	94.9 Å²	94.9	15%	0.147	46%	0.464	C	S	.	.	H	α-helix	trans	-63.1	-47.2	172.9	-110.1	100.7	0	0	0	111.9	L4 V9 N36 Y37 F42 L43 V44	L4-L40 WeakPolarHBondContact O-CD2 3.3Å; V9-L40 HydrophobicContact CB-CD1 4.37Å; V9-L40 HydrophobicContact CG1-CD1 4.38Å; V9-L40 HydrophobicContact CG2-CD1 3.24Å; N36-L40 PolarHBondContact O-N 2.9Å; Y37-L40 PolarHBondContact O-N 3.34Å; L40-F42 PolarHBondContact O-N 3.26Å; L40-L43 PolarHBondContact O-N 3.27Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L40-V44 WeakPolarHBondContact O-CG2 3.48Å; L40-V44 PolarHBondContact O-N 2.96Å
41	V	46.9	Very low	43.9	Very low	59 Å²	59	95.8 Å²	95.8	36%	0.358	47%	0.474	S	S	.	.	H	α-helix	trans	-59	-39	177.6	172.6	0	0	0	0	110.4	Y37 M45	Y37-V41 HydrophobicContact CD1-CG2 4.3Å; Y37-V41 HydrophobicContact CE1-CG2 3.92Å; Y37-V41 HydrophobicContact CE2-CG2 4.3Å; Y37-V41 VanDerWaalsContact O-CG2 3.31Å; Y37-V41 WeakPolarHBondContact O-CG2 3.24Å; Y37-V41 PolarHBondContact O-N 2.93Å; V41-M45 HydrophobicContact CG1-CG 4.48Å; V41-M45 HydrophobicContact CG1-SD 4.21Å; V41-M45 WeakPolarHBondContact O-CB 3.22Å; V41-M45 VanDerWaalsContact O-CG 3.23Å; V41-M45 WeakPolarHBondContact O-CG 3.41Å; V41-M45 PolarHBondContact O-N 3.4Å
42	F	45.7	Very low	43.2	Very low	139 Å²	139	97.5 Å²	97.5	61%	0.61	48%	0.483	S	S	*	.	H	α-helix	trans	-65.4	-40.6	176.1	-172.6	-95.6	0	0	0	113.2	R38 N39 L40 S46	R38-F42 WeakPolarHBondContact O-CB 2.94Å; R38-F42 PolarHBondContact O-N 3.15Å; N39-F42 PolarHBondContact O-N 3.5Å; L40-F42 PolarHBondContact O-N 3.26Å; F42-S46 WeakPolarHBondContact O-CB 3.31Å; F42-S46 PolarHBondContact O-N 2.82Å; F42-S46 PolarHBondContact O-OG 3.02Å
43	L	46.6	Very low	42.6	Very low	115 Å²	115	100.4 Å²	100.4	60%	0.602	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-43.7	176.5	-76.3	165.5	0	0	0	112.1	N39 L40 S46 F47	N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 3.49Å; L40-L43 PolarHBondContact O-N 3.27Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L43-S46 PolarHBondContact O-N 3.27Å; L43-S46 VanDerWaalsContact O-N 3.15Å; L43-F47 PolarHBondContact O-N 2.83Å; L43-F47 VanDerWaalsContact O-N 3.1Å
44	V	42.9	Very low	41.6	Very low	79 Å²	79	106.9 Å²	106.9	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-44.2	176.9	173.1	0	0	0	0	111	L40 S46 F47 H48	L40-V44 WeakPolarHBondContact O-CG2 3.48Å; L40-V44 PolarHBondContact O-N 2.96Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.06Å; V44-F47 PolarHBondContact O-N 2.97Å; V44-H48 PolarHBondContact O-CD2 3.4Å; V44-H48 PolarHBondContact O-N 2.93Å
45	M	37.8	Very low	40.9	Very low	102 Å²	102	108.7 Å²	108.7	50%	0.502	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-37.2	174	-71.8	-175	80.2	0	0	111.9	V41 F47 H48 F49	V41-M45 HydrophobicContact CG1-CG 4.48Å; V41-M45 HydrophobicContact CG1-SD 4.21Å; V41-M45 WeakPolarHBondContact O-CB 3.22Å; V41-M45 VanDerWaalsContact O-CG 3.23Å; V41-M45 WeakPolarHBondContact O-CG 3.41Å; V41-M45 PolarHBondContact O-N 3.4Å; M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 PolarHBondContact O-N 3.36Å; M45-H48 PolarHBondContact O-N 3.38Å; M45-F49 VanDerWaalsContact O-CD2 3.25Å; M45-F49 WeakPolarHBondContact O-CD2 3.49Å; M45-F49 PolarHBondContact O-N 2.94Å
46	S	39.1	Very low	40.2	Very low	54 Å²	54	111.1 Å²	111.1	38%	0.378	55%	0.547	S	S	.	.	H	α-helix	trans	-67.5	-32.8	-179.4	-60.4	0	0	0	0	112.9	F42 L43 V44 A50	F42-S46 WeakPolarHBondContact O-CB 3.31Å; F42-S46 PolarHBondContact O-N 2.82Å; F42-S46 PolarHBondContact O-OG 3.02Å; L43-S46 PolarHBondContact O-N 3.27Å; L43-S46 VanDerWaalsContact O-N 3.15Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.06Å; S46-A50 PolarHBondContact O-N 2.79Å
47	F	36.6	Very low	39.5	Very low	158 Å²	158	115.4 Å²	115.4	69%	0.693	57%	0.565	S	S	*	*	H	α-helix	trans	-73.4	-42.2	176.9	-122.8	-89.6	0	0	0	112.2	L43 V44 M45 F49 A50	L43-F47 PolarHBondContact O-N 2.83Å; L43-F47 VanDerWaalsContact O-N 3.1Å; V44-F47 PolarHBondContact O-N 2.97Å; M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 PolarHBondContact O-N 3.36Å; F47-F49 VanDerWaalsContact C-N 3.26Å; F47-F49 PolarHBondContact O-N 3.15Å; F47-A50 PolarHBondContact O-N 2.98Å; F47-A50 VanDerWaalsContact O-N 3.14Å
48	H	32.4	Very low	38.7	Very low	134 Å²	134	115 Å²	115	62%	0.62	57%	0.572	S	S	*	*	H	α-helix	trans	-63.9	-28.1	177.4	-86.8	-67.3	0	0	0	113.6	V44 M45	V44-H48 PolarHBondContact O-CD2 3.4Å; V44-H48 PolarHBondContact O-N 2.93Å; M45-H48 PolarHBondContact O-N 3.38Å
49	F	33.9	Very low	38.1	Very low	140 Å²	140	112.5 Å²	112.5	61%	0.614	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-6.5	176.4	-82.8	-75	0	0	0	114.2	M45 F47	M45-F49 VanDerWaalsContact O-CD2 3.25Å; M45-F49 WeakPolarHBondContact O-CD2 3.49Å; M45-F49 PolarHBondContact O-N 2.94Å; F47-F49 VanDerWaalsContact C-N 3.26Å; F47-F49 PolarHBondContact O-N 3.15Å
50	A	35	Very low	37.2	Very low	50 Å²	50	113.6 Å²	113.6	41%	0.413	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	-17.8	-175.9	0	0	0	0	0	114.1	S46 F47	S46-A50 PolarHBondContact O-N 2.79Å; F47-A50 PolarHBondContact O-N 2.98Å; F47-A50 VanDerWaalsContact O-N 3.14Å
51	Q	36.7	Very low	36.4	Very low	162 Å²	162	115.7 Å²	115.7	76%	0.757	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-23.9	179	-80.3	177.4	-22	0	0	113.5
52	D	32.3	Very low	35.8	Very low	140 Å²	140	116.3 Å²	116.3	75%	0.749	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	8.3	-170.5	-67.5	-28.8	0	0	0	115.6
53	L	37.8	Very low	35.1	Very low	126 Å²	126	116.8 Å²	116.8	66%	0.66	59%	0.59	S	S	*	*	S	Bend	trans	-137.5	10.3	-161.4	-94.9	162.1	0	0	0	119.4
54	W	33.6	Very low	34.3	Very low	168 Å²	168	116.5 Å²	116.5	64%	0.636	59%	0.585	S	S	*	*			trans	-116.4	117.3	-176.2	-76.5	10.5	0	0	0	114.4	K60	W54-K60 HydrophobicContact CZ3-CB 4.33Å; W54-K60 HydrophobicContact CZ3-CD 4.49Å; W54-K60 HydrophobicContact CZ3-CG 4.17Å
55	P	33.5	Very low	33.8	Very low	125 Å²	125	120 Å²	120	81%	0.812	59%	0.594	S	S	*	*			trans	-128.6	28.4	157.7	40.1	-27.3	0	0	0	114.9
56	E	32.8	Very low	33.5	Very low	142 Å²	142	120 Å²	120	66%	0.664	60%	0.6	S	S	*	*			trans	-130.8	112.1	173.2	-73.6	-176.2	-167.9	0	0	113.3	N58 I59	E56-N58 PolarHBondContact O-N 3.17Å; E56-N58 VanDerWaalsContact O-N 3.12Å; E56-I59 PolarHBondContact O-N 2.99Å
57	Q	33.7	Very low	33	Very low	141 Å²	141	120.7 Å²	120.7	66%	0.659	60%	0.601	S	S	*	*	H	α-helix	trans	-54.4	-28	-178	-160.2	75.8	-0.5	0	0	113.7	I59 K60 D61	Q57-I59 VanDerWaalsContact C-N 3.32Å; Q57-I59 PolarHBondContact O-N 3.24Å; Q57-K60 PolarHBondContact O-N 3.41Å; Q57-D61 PolarHBondContact O-N 3.08Å
58	N	30.7	Very low	32.8	Very low	124 Å²	124	119.1 Å²	119.1	66%	0.663	60%	0.6	S	S	*	*	H	α-helix	trans	-68.4	-22.2	-175.5	-93.5	-38.9	0	0	0	115.1	E56 S62	E56-N58 PolarHBondContact O-N 3.17Å; E56-N58 VanDerWaalsContact O-N 3.12Å; N58-S62 PolarHBondContact O-N 2.93Å; N58-S62 PolarHBondContact O-OG 3.32Å
59	I	33.5	Very low	32.6	Very low	96 Å²	96	123.3 Å²	123.3	49%	0.492	61%	0.61	S	S	.	*	H	α-helix	trans	-83.6	-31.4	179.2	-63.3	178.6	0	0	0	111	E56 Q57 S62 F63	E56-I59 PolarHBondContact O-N 2.99Å; Q57-I59 VanDerWaalsContact C-N 3.32Å; Q57-I59 PolarHBondContact O-N 3.24Å; I59-S62 PolarHBondContact O-N 2.9Å; I59-F63 PolarHBondContact O-N 2.84Å
60	K	31.8	Very low	32.6	Very low	104 Å²	104	125.8 Å²	125.8	45%	0.452	62%	0.615	S	S	.	*	H	α-helix	trans	-65.8	-42.6	175.9	-164	177.8	-179	-177.8	0	111.1	W54 Q57 F63 Q64	W54-K60 HydrophobicContact CZ3-CB 4.33Å; W54-K60 HydrophobicContact CZ3-CD 4.49Å; W54-K60 HydrophobicContact CZ3-CG 4.17Å; Q57-K60 PolarHBondContact O-N 3.41Å; K60-F63 PolarHBondContact O-N 2.75Å; K60-Q64 PolarHBondContact O-N 3.42Å
61	D	31.5	Very low	32.4	Very low	72 Å²	72	132.5 Å²	132.5	39%	0.385	63%	0.631	S	S	.	*	H	α-helix	trans	-67.6	-35.6	176.8	-77	3.5	0	0	0	112.8	Q57 K65	Q57-D61 PolarHBondContact O-N 3.08Å; D61-K65 WeakPolarHBondContact O-CB 3.42Å; D61-K65 WeakPolarHBondContact O-CG 3.29Å; D61-K65 PolarHBondContact O-N 3.48Å
62	S	33.3	Very low	32	Very low	72 Å²	72	128 Å²	128	50%	0.503	63%	0.629	S	S	.	*	H	α-helix	trans	-69.3	-37.8	175.5	-63.3	0	0	0	0	111.8	N58 I59 V66	N58-S62 PolarHBondContact O-N 2.93Å; N58-S62 PolarHBondContact O-OG 3.32Å; I59-S62 PolarHBondContact O-N 2.9Å; S62-V66 VanDerWaalsContact O-CG2 3.28Å; S62-V66 WeakPolarHBondContact O-CG2 3.37Å; S62-V66 PolarHBondContact O-N 2.8Å
63	F	31.1	Very low	31.9	Very low	149 Å²	149	130.6 Å²	130.6	65%	0.654	63%	0.633	S	S	*	*	H	α-helix	trans	-70.6	-41.6	175.4	-133.6	-94.7	0	0	0	111.2	I59 K60 V66 T67	I59-F63 PolarHBondContact O-N 2.84Å; K60-F63 PolarHBondContact O-N 2.75Å; F63-V66 PolarHBondContact O-N 3.45Å; F63-T67 PolarHBondContact O-N 3.21Å; F63-T67 PolarHBondContact O-OG1 3.21Å
64	Q	31.3	Very low	31.3	Very low	108 Å²	108	130 Å²	130	51%	0.505	64%	0.638	S	S	.	*	H	α-helix	trans	-62.9	-40.7	173.6	-86.4	-178.5	-35.1	0	0	112.7	K60 V66 T67 L68	K60-Q64 PolarHBondContact O-N 3.42Å; Q64-V66 VanDerWaalsContact C-N 3.34Å; Q64-V66 PolarHBondContact O-N 2.8Å; Q64-T67 PolarHBondContact O-N 3.44Å; Q64-L68 WeakPolarHBondContact O-CB 3.16Å; Q64-L68 WeakPolarHBondContact O-CG 3.2Å; Q64-L68 PolarHBondContact O-N 3.12Å
65	K	31.9	Very low	31	Very low	153 Å²	153	130.2 Å²	130.2	67%	0.665	65%	0.646	S	S	*	*	H	α-helix	trans	-64.3	-34.4	175.2	-84	177.1	176.9	171.5	0	113.3	D61 R69	D61-K65 WeakPolarHBondContact O-CB 3.42Å; D61-K65 WeakPolarHBondContact O-CG 3.29Å; D61-K65 PolarHBondContact O-N 3.48Å; K65-R69 WeakPolarHBondContact O-CB 3.48Å; K65-R69 PolarHBondContact O-N 2.97Å; K65-R69 VanDerWaalsContact O-N 3.1Å
66	V	31.7	Very low	30.8	Very low	103 Å²	103	135.3 Å²	135.3	62%	0.624	65%	0.651	S	S	*	*	H	α-helix	trans	-76.7	-35	177.3	172.1	0	0	0	0	111.6	S62 F63 Q64	S62-V66 VanDerWaalsContact O-CG2 3.28Å; S62-V66 WeakPolarHBondContact O-CG2 3.37Å; S62-V66 PolarHBondContact O-N 2.8Å; F63-V66 PolarHBondContact O-N 3.45Å; Q64-V66 VanDerWaalsContact C-N 3.34Å; Q64-V66 PolarHBondContact O-N 2.8Å
67	T	28.6	Very low	30.6	Very low	67 Å²	67	136 Å²	136	41%	0.411	65%	0.654	S	S	.	*	H	α-helix	trans	-69.9	-43.4	173.5	-52.8	0	0	0	0	111	F63 Q64 R70 Y71	F63-T67 PolarHBondContact O-N 3.21Å; F63-T67 PolarHBondContact O-OG1 3.21Å; Q64-T67 PolarHBondContact O-N 3.44Å; T67-R70 PolarHBondContact O-N 3.34Å; T67-R70 VanDerWaalsContact O-N 3.14Å; T67-Y71 HydrophobicContact CG2-CD2 4.08Å; T67-Y71 HydrophobicContact CG2-CE2 3.93Å; T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; T67-Y71 PolarHBondContact O-N 3.25Å
68	L	31.9	Very low	30.3	Very low	125 Å²	125	136 Å²	136	65%	0.654	66%	0.659	S	S	*	*	H	α-helix	trans	-66.6	-38.1	177.6	-80.3	159.3	0	0	0	113.5	Q64 R70 Y71 G72	Q64-L68 WeakPolarHBondContact O-CB 3.16Å; Q64-L68 WeakPolarHBondContact O-CG 3.2Å; Q64-L68 PolarHBondContact O-N 3.12Å; L68-R70 PolarHBondContact O-N 3.22Å; L68-R70 VanDerWaalsContact O-N 3.14Å; L68-Y71 PolarHBondContact O-N 3.39Å; L68-G72 PolarHBondContact O-N 2.81Å
69	R	28.9	Very low	30.1	Very low	222 Å²	222	137.2 Å²	137.2	84%	0.838	66%	0.664	S	S	*	*	H	α-helix	trans	-62.7	-17.8	172.7	-88.8	-166.6	-174.8	-149.6	2.2	114	K65	K65-R69 WeakPolarHBondContact O-CB 3.48Å; K65-R69 PolarHBondContact O-N 2.97Å; K65-R69 VanDerWaalsContact O-N 3.1Å
70	R	32.1	Very low	29.6	Very low	193 Å²	193	140.2 Å²	140.2	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-98.1	-16.5	-178.6	-148.6	171.6	-169.2	173.5	1	113.5	T67 L68	T67-R70 PolarHBondContact O-N 3.34Å; T67-R70 VanDerWaalsContact O-N 3.14Å; L68-R70 PolarHBondContact O-N 3.22Å; L68-R70 VanDerWaalsContact O-N 3.14Å
71	Y	31	Very low	29.4	Very low	191 Å²	191	143.5 Å²	143.5	75%	0.749	70%	0.698	S	S	*	*	H	α-helix	trans	-95.3	-16.6	172.9	-79	-80.5	0	0	0	113.7	T67 L68 K73	T67-Y71 HydrophobicContact CG2-CD2 4.08Å; T67-Y71 HydrophobicContact CG2-CE2 3.93Å; T67-Y71 WeakPolarHBondContact O-CD2 3.34Å; T67-Y71 PolarHBondContact O-N 3.25Å; L68-Y71 PolarHBondContact O-N 3.39Å; Y71-K73 PolarHBondContact O-N 3.06Å
72	G	29.6	Very low	28.9	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	23.1	177.3	0	0	0	0	0	116.8	L68	L68-G72 PolarHBondContact O-N 2.81Å
73	K	29.5	Very low	28.7	Very low	194 Å²	194	158 Å²	158	84%	0.843	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	19.2	-179.3	-91.6	-167.1	178.4	-170.2	0	115.2	Y71	Y71-K73 PolarHBondContact O-N 3.06Å
74	C	25.4	Very low	28.5	Very low	113 Å²	113	154.4 Å²	154.4	76%	0.764	75%	0.747	S	S	*	*			trans	-134.9	82.3	164.8	-151.7	0	0	0	0	107.3	Y76	C74-Y76 PolarHBondContact O-N 2.96Å
75	E	27.7	Very low	28.1	Very low	173 Å²	173	155.4 Å²	155.4	81%	0.808	76%	0.764	S	S	*	*			trans	-69	106.8	156.9	-80.4	172.2	169.5	0	0	106.6
76	Y	28	Very low	27.9	Very low	231 Å²	231	158 Å²	158	91%	0.906	78%	0.775	S	S	*	*			trans	-134.4	107.7	140.1	-111.8	-87.8	0	0	0	106.2	C74	C74-Y76 PolarHBondContact O-N 2.96Å
77	E	29.5	Very low	27.6	Very low	156 Å²	156	162 Å²	162	73%	0.729	79%	0.787	S	S	*	*			trans	-72.6	165.1	176.7	-64.8	175.6	136.3	0	0	111.1
78	N	27.6	Very low	27.9	Very low	141 Å²	141	163.6 Å²	163.6	75%	0.754	80%	0.796	S	S	*	*			trans	90.6	84.8	-179.1	-51.2	-51.8	0	0	0	114.1
79	L	25.8	Very low	27.7	Very low	150 Å²	150	164.4 Å²	164.4	79%	0.785	80%	0.802	S	S	*	*				107.1	138.5	78.4	-110.7	117.7	0	0	0	106.3
80	Q	23	Very low	27.6	Very low	160 Å²	160	163.4 Å²	163.4	75%	0.748	81%	0.806	S	S	*	*			cis	-164.7	146	-15.3	-109.7	-100.8	-5.2	0	0	102.2	R82	Q80-R82 PolarHBondContact O-N 3.04Å
81	L	27.2	Very low	27.2	Very low	172 Å²	172	159.5 Å²	159.5	90%	0.901	81%	0.807	S	S	*	*			trans	-55.8	122.5	170.3	-80.2	141.8	0	0	0	109.6
82	R	22.7	Very low	26.9	Very low	245 Å²	245	156.9 Å²	156.9	93%	0.925	81%	0.812	S	S	*	*			trans	-133.9	129.8	156.7	-160.3	174.4	-121.7	-125.1	3.4	111.5	Q80	Q80-R82 PolarHBondContact O-N 3.04Å
83	K	27.9	Very low	26.7	Very low	204 Å²	204	157 Å²	157	89%	0.887	81%	0.813	S	S	*	*			trans	-62	141.3	177.4	-67.8	166.1	170.9	174.9	0	112
84	G	26.9	Very low	26.6	Very low	73 Å²	73	156 Å²	156	75%	0.753	81%	0.811	S	S	*	*			trans	92.6	116.8	140.7	0	0	0	0	0	119.1
85	C	23.2	Very low	26.7	Very low	130 Å²	130	160.1 Å²	160.1	88%	0.878	82%	0.815	S	S	*	*			trans	170.3	120.8	136	-89.4	0	0	0	0	106.7
86	K	28.9	Very low	26.6	Very low	206 Å²	206	156 Å²	156	90%	0.896	82%	0.819	S	S	*	*				62	78.6	62.2	-69.2	-163.8	-178.2	-177.1	0	114.9
87	H	25.3	Very low	26.4	Very low	187 Å²	187	148 Å²	148	87%	0.866	81%	0.808	S	S	*	*			trans	64.5	170.3	154	-116.3	-89.3	0	0	0	121.2
88	V	34.5	Very low	26.3	Very low	101 Å²	101	149.4 Å²	149.4	61%	0.612	81%	0.814	S	S	*	*			trans	-82.7	164	-156.4	171	0	0	0	0	113.4
89	D	27.6	Very low	26.2	Very low	143 Å²	143	149.7 Å²	149.7	77%	0.765	82%	0.815	S	S	*	*			trans	84.9	109.1	173.4	-58.6	-40.7	0	0	0	116.5
90	E	25.7	Very low	26.3	Very low	200 Å²	200	147.6 Å²	147.6	94%	0.935	81%	0.809	S	S	*	*				-164.4	134.1	110.3	-108.9	173.6	176.6	0	0	112.4
91	C	23.6	Very low	26.6	Very low	111 Å²	111	147.1 Å²	147.1	75%	0.75	82%	0.817	S	S	*	*			trans	-87.4	170.8	-175.5	-117	0	0	0	0	111.6
92	T	24.8	Very low	26.8	Very low	137 Å²	137	144.9 Å²	144.9	84%	0.84	81%	0.806	S	S	*	*			trans	86.1	136.3	141.4	57.6	0	0	0	0	122
93	G	26.2	Very low	27.2	Very low	70 Å²	70	141.7 Å²	141.7	72%	0.722	80%	0.801	S	S	*	*			trans	147.8	56.1	156.1	0	0	0	0	0	114.9
94	H	27.6	Very low	27.3	Very low	173 Å²	173	138 Å²	138	80%	0.801	80%	0.799	S	S	*	*				65.8	131.1	100.1	-106.9	89.7	0	0	0	119.4
95	K	28	Very low	27.5	Very low	199 Å²	199	140.3 Å²	140.3	87%	0.865	79%	0.794	S	S	*	*			trans	103.1	109	163.2	-62.6	179.1	178.3	-179.6	0	113.8
96	G	24.6	Very low	28	Very low	86 Å²	86	139 Å²	139	89%	0.887	78%	0.782	S	S	*	*				91.8	119.3	50.6	0	0	0	0	0	108.1
97	G	25.1	Very low	28.1	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	77%	0.769	S	S	*	*			cis	-165.5	164.6	-0.9	0	0	0	0	0	109.3
98	H	25.4	Very low	28.5	Very low	184 Å²	184	127.9 Å²	127.9	85%	0.852	75%	0.753	S	S	*	*			trans	56	94.6	162.4	-71.4	-89	0	0	0	119.1
99	N	27.1	Very low	28.4	Very low	147 Å²	147	126.1 Å²	126.1	79%	0.786	74%	0.743	S	S	*	*				-158.7	125.2	114.2	-100.5	-22.8	0	0	0	113.2
100	T	28.2	Very low	28.6	Very low	107 Å²	107	123.2 Å²	123.2	66%	0.656	73%	0.734	S	S	*	*			trans	61.3	92.5	140.9	57.1	0	0	0	0	119.4	N102	T100-N102 PolarHBondContact O-N 3.25Å
101	V	27.9	Very low	28.9	Very low	150 Å²	150	121.8 Å²	121.8	91%	0.909	73%	0.725	S	S	*	*	S	Bend		43.3	10.9	122.3	-176.3	0	0	0	0	120
102	N	31	Very low	29.3	Very low	124 Å²	124	120.9 Å²	120.9	66%	0.663	71%	0.711	S	S	*	*			trans	-138.2	30	-174.6	-112.2	-16.7	0	0	0	115.4	T100	T100-N102 PolarHBondContact O-N 3.25Å
103	Q	32.1	Very low	29.5	Very low	179 Å²	179	121.9 Å²	121.9	84%	0.836	71%	0.705	S	S	*	*	S	Bend	trans	-127	4.6	169.6	-78.5	-175.2	-9.9	0	0	115.3
104	C	29.4	Very low	29.8	Very low	125 Å²	125	124.6 Å²	124.6	85%	0.845	70%	0.698	S	S	*	*	S	Bend	trans	-96.5	7	166.7	-86	0	0	0	0	114
105	L	30.6	Very low	30.1	Very low	122 Å²	122	120 Å²	120	64%	0.639	69%	0.685	S	S	*	*	S	Bend	trans	-99.1	-1.2	178.2	-93.1	162.5	0	0	0	114.8	P109	L105-P109 WeakPolarHBondContact O-CD 3.49Å; L105-P109 WeakPolarHBondContact O-CG 3.38Å
106	T	34.2	Very low	30.1	Very low	104 Å²	104	114.1 Å²	114.1	64%	0.638	66%	0.663	S	S	*	*	S	Bend	trans	-115.7	1.2	-173.7	51.5	0	0	0	0	115.8
107	A	31.2	Very low	30.4	Very low	74 Å²	74	117.2 Å²	117.2	61%	0.612	65%	0.652	S	S	*	*	S	Bend	trans	-96.1	-21.5	173.1	0	0	0	0	0	114.2
108	T	34.1	Very low	30.7	Very low	85 Å²	85	122.1 Å²	122.1	52%	0.521	65%	0.651	S	S	.	*	H	α-helix	trans	-82.2	-30.6	178	-29.1	0	0	0	0	113.7	I112	T108-I112 HydrophobicContact CG2-CD1 3.88Å; T108-I112 WeakPolarHBondContact O-CB 3.4Å; T108-I112 WeakPolarHBondContact O-CD1 3.44Å; T108-I112 VanDerWaalsContact O-CG1 3.24Å; T108-I112 WeakPolarHBondContact O-CG1 2.97Å; T108-I112 PolarHBondContact O-N 3.21Å
109	P	32.8	Very low	31.2	Very low	64 Å²	64	116.7 Å²	116.7	42%	0.416	63%	0.631	S	S	.	*	H	α-helix	trans	-66.8	-36.2	175.8	-21.4	33.4	0	0	0	113.2	L105 K111 I112 F113	L105-P109 WeakPolarHBondContact O-CD 3.49Å; L105-P109 WeakPolarHBondContact O-CG 3.38Å; P109-K111 PolarHBondContact O-N 3.38Å; P109-I112 CarbonylContact O-C 3.26Å; P109-I112 PolarHBondContact O-N 3.34Å; P109-F113 WeakPolarHBondContact O-CB 3.48Å; P109-F113 PolarHBondContact O-N 2.78Å
110	S	31.1	Very low	31.3	Very low	82 Å²	82	116.7 Å²	116.7	57%	0.573	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-35	-175.6	-73.1	0	0	0	0	113.7	Q114	S110-Q114 PolarHBondContact O-N 3.09Å
111	K	31.3	Very low	31.6	Very low	169 Å²	169	115.5 Å²	115.5	74%	0.735	62%	0.617	S	S	*	*	H	α-helix	trans	-77.1	-34	173.4	-70.5	-178.5	179.7	176.7	0	112.1	P109 C115	P109-K111 PolarHBondContact O-N 3.38Å; K111-C115 WeakPolarHBondContact O-CB 3.37Å; K111-C115 PolarHBondContact O-N 3.32Å
112	I	32.8	Very low	31.7	Very low	92 Å²	92	115.5 Å²	115.5	47%	0.472	60%	0.604	S	S	.	*	H	α-helix	trans	-71.4	-34	174.3	-66.9	171.9	0	0	0	111.7	T108 P109 N116	T108-I112 HydrophobicContact CG2-CD1 3.88Å; T108-I112 WeakPolarHBondContact O-CB 3.4Å; T108-I112 WeakPolarHBondContact O-CD1 3.44Å; T108-I112 VanDerWaalsContact O-CG1 3.24Å; T108-I112 WeakPolarHBondContact O-CG1 2.97Å; T108-I112 PolarHBondContact O-N 3.21Å; P109-I112 CarbonylContact O-C 3.26Å; P109-I112 PolarHBondContact O-N 3.34Å; I112-N116 WeakPolarHBondContact O-CB 3.44Å; I112-N116 PolarHBondContact O-N 2.88Å
113	F	29.7	Very low	31.8	Very low	159 Å²	159	113.8 Å²	113.8	70%	0.697	60%	0.595	S	S	*	*	H	α-helix	trans	-77.9	-36	-179.1	-141.8	-92.3	0	0	0	112.2	P109 K117	P109-F113 WeakPolarHBondContact O-CB 3.48Å; P109-F113 PolarHBondContact O-N 2.78Å; F113-K117 WeakPolarHBondContact O-CB 3.4Å; F113-K117 PolarHBondContact O-N 3.13Å
114	Q	31.7	Very low	31.6	Very low	127 Å²	127	113.4 Å²	113.4	59%	0.593	59%	0.591	S	S	*	*	H	α-helix	trans	-63.9	-46.6	169.3	-78.1	-171.3	-7.6	0	0	110.7	S110 N116 K117 Y118	S110-Q114 PolarHBondContact O-N 3.09Å; Q114-N116 PolarHBondContact O-N 3.34Å; Q114-K117 PolarHBondContact O-N 3.17Å; Q114-K117 VanDerWaalsContact O-N 3.12Å; Q114-Y118 HydrophobicContact CB-CD2 4.47Å; Q114-Y118 HydrophobicContact CB-CE2 4.24Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.25Å; Q114-Y118 PolarHBondContact O-N 3.16Å
115	C	33.7	Very low	31.6	Very low	77 Å²	77	113.5 Å²	113.5	52%	0.52	58%	0.577	S	S	.	*	H	α-helix	trans	-60.7	-43	176.9	-158.6	0	0	0	0	112.1	K111 K117 Y118 V119	K111-C115 WeakPolarHBondContact O-CB 3.37Å; K111-C115 PolarHBondContact O-N 3.32Å; C115-K117 PolarHBondContact O-N 2.74Å; C115-Y118 PolarHBondContact O-N 3.47Å; C115-V119 WeakPolarHBondContact O-CB 3.41Å; C115-V119 WeakPolarHBondContact O-CG2 3.46Å; C115-V119 PolarHBondContact O-N 3.08Å
116	N	29.5	Very low	31.7	Very low	75 Å²	75	109.5 Å²	109.5	40%	0.401	56%	0.56	S	S	.	*	H	α-helix	trans	-67.2	-30.3	174.5	-99.5	-53.6	0	0	0	113.7	I112 Q114 K120	I112-N116 WeakPolarHBondContact O-CB 3.44Å; I112-N116 PolarHBondContact O-N 2.88Å; Q114-N116 PolarHBondContact O-N 3.34Å; N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 VanDerWaalsContact O-CG 3.26Å; N116-K120 WeakPolarHBondContact O-CG 3.39Å; N116-K120 PolarHBondContact O-N 3.23Å
117	K	30	Very low	31.5	Very low	150 Å²	150	108.2 Å²	108.2	65%	0.652	55%	0.549	S	S	*	.	H	α-helix	trans	-71.6	-41.2	174.3	-164	176.6	-176	179.4	0	110.9	F113 Q114 C115 V121	F113-K117 WeakPolarHBondContact O-CB 3.4Å; F113-K117 PolarHBondContact O-N 3.13Å; Q114-K117 PolarHBondContact O-N 3.17Å; Q114-K117 VanDerWaalsContact O-N 3.12Å; C115-K117 PolarHBondContact O-N 2.74Å; K117-V121 VanDerWaalsContact O-CB 3.29Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 WeakPolarHBondContact O-CG2 3.42Å; K117-V121 PolarHBondContact O-N 3.23Å
118	Y	32.3	Very low	31.4	Very low	168 Å²	168	107.8 Å²	107.8	66%	0.659	54%	0.541	S	S	*	.	H	α-helix	trans	-66.7	-42.6	173.5	-70.3	-69.2	0	0	0	111.5	Q114 C115 V121 F122	Q114-Y118 HydrophobicContact CB-CD2 4.47Å; Q114-Y118 HydrophobicContact CB-CE2 4.24Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.25Å; Q114-Y118 PolarHBondContact O-N 3.16Å; C115-Y118 PolarHBondContact O-N 3.47Å; Y118-V121 PolarHBondContact O-N 3.4Å; Y118-F122 VanDerWaalsContact O-CB 3.25Å; Y118-F122 WeakPolarHBondContact O-CB 3.34Å; Y118-F122 PolarHBondContact O-N 2.88Å
119	V	34.4	Very low	31.2	Very low	70 Å²	70	106.5 Å²	106.5	42%	0.424	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-45.5	177	171.9	0	0	0	0	111.9	C115 V121 F122 D123	C115-V119 WeakPolarHBondContact O-CB 3.41Å; C115-V119 WeakPolarHBondContact O-CG2 3.46Å; C115-V119 PolarHBondContact O-N 3.08Å; V119-V121 VanDerWaalsContact C-N 3.35Å; V119-V121 PolarHBondContact O-N 3.43Å; V119-F122 PolarHBondContact O-N 2.96Å; V119-D123 WeakPolarHBondContact O-CB 3.21Å; V119-D123 PolarHBondContact O-N 3.34Å
120	K	30.1	Very low	31.1	Very low	148 Å²	148	110.8 Å²	110.8	64%	0.643	54%	0.539	S	S	*	.	H	α-helix	trans	-66.6	-33	177.1	-75.5	178.5	-179.8	178.1	0	112.8	N116 K124	N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 VanDerWaalsContact O-CG 3.26Å; N116-K120 WeakPolarHBondContact O-CG 3.39Å; N116-K120 PolarHBondContact O-N 3.23Å; K120-K124 WeakPolarHBondContact O-CB 3.21Å; K120-K124 PolarHBondContact O-N 3.38Å
121	V	33.4	Very low	31.1	Very low	82 Å²	82	115.6 Å²	115.6	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-75.3	-36.5	174.1	173.2	0	0	0	0	111.1	K117 Y118 V119 K124 F125	K117-V121 VanDerWaalsContact O-CB 3.29Å; K117-V121 WeakPolarHBondContact O-CB 3.5Å; K117-V121 WeakPolarHBondContact O-CG2 3.42Å; K117-V121 PolarHBondContact O-N 3.23Å; Y118-V121 PolarHBondContact O-N 3.4Å; V119-V121 VanDerWaalsContact C-N 3.35Å; V119-V121 PolarHBondContact O-N 3.43Å; V121-K124 PolarHBondContact O-N 2.88Å; V121-F125 VanDerWaalsContact O-CB 3.27Å; V121-F125 WeakPolarHBondContact O-CB 3.24Å; V121-F125 PolarHBondContact O-N 3.5Å
122	F	31.6	Very low	31.1	Very low	149 Å²	149	115.2 Å²	115.2	65%	0.654	54%	0.544	S	S	*	.	H	α-helix	trans	-70.2	-34.9	174.7	-135.8	-94	0	0	0	112.3	Y118 V119 S126	Y118-F122 VanDerWaalsContact O-CB 3.25Å; Y118-F122 WeakPolarHBondContact O-CB 3.34Å; Y118-F122 PolarHBondContact O-N 2.88Å; V119-F122 PolarHBondContact O-N 2.96Å; F122-S126 WeakPolarHBondContact O-CB 3.45Å; F122-S126 PolarHBondContact O-N 3.21Å; F122-S126 PolarHBondContact O-OG 3.36Å
123	D	32.3	Very low	31.2	Very low	88 Å²	88	116.8 Å²	116.8	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-73.3	-39.4	173	-99.2	-16.6	0	0	0	111.7	V119 N127	V119-D123 WeakPolarHBondContact O-CB 3.21Å; V119-D123 PolarHBondContact O-N 3.34Å; D123-N127 WeakPolarHBondContact O-CB 3.33Å; D123-N127 VanDerWaalsContact O-CG 3.24Å; D123-N127 PolarHBondContact O-N 2.99Å; D123-N127 PolarHBondContact O-ND2 2.83Å; D123-N127 VanDerWaalsContact O-ND2 3.1Å
124	K	28.3	Very low	31.3	Very low	171 Å²	171	118.8 Å²	118.8	74%	0.743	55%	0.547	S	S	*	.	H	α-helix	trans	-63.8	-40.2	171	-106.6	-179.1	174.9	177.3	0	111.7	K120 V121 S128	K120-K124 WeakPolarHBondContact O-CB 3.21Å; K120-K124 PolarHBondContact O-N 3.38Å; V121-K124 PolarHBondContact O-N 2.88Å; K124-S128 WeakPolarHBondContact O-CB 3.39Å; K124-S128 PolarHBondContact O-N 3.07Å
125	F	29.6	Very low	31.5	Very low	127 Å²	127	121 Å²	121	56%	0.557	56%	0.557	S	S	*	*	H	α-helix	trans	-71.8	-40.2	177.5	-164.7	-102.3	0	0	0	112.3	V121 N129	V121-F125 VanDerWaalsContact O-CB 3.27Å; V121-F125 WeakPolarHBondContact O-CB 3.24Å; V121-F125 PolarHBondContact O-N 3.5Å; F125-N129 WeakPolarHBondContact O-CB 3.48Å; F125-N129 PolarHBondContact O-N 3.43Å
126	S	32.3	Very low	31.7	Very low	39 Å²	39	121.7 Å²	121.7	27%	0.273	56%	0.559	S	S	.	*	H	α-helix	trans	-69.2	-33	175.5	-71.9	0	0	0	0	113.3	F122 R130	F122-S126 WeakPolarHBondContact O-CB 3.45Å; F122-S126 PolarHBondContact O-N 3.21Å; F122-S126 PolarHBondContact O-OG 3.36Å; S126-R130 VanDerWaalsContact O-CB 3.24Å; S126-R130 WeakPolarHBondContact O-CB 3.47Å; S126-R130 PolarHBondContact O-N 3.23Å
127	N	30.2	Very low	32.2	Very low	77 Å²	77	121.8 Å²	121.8	41%	0.412	58%	0.578	S	S	.	*	H	α-helix	trans	-88.2	-35.8	179.5	-68.9	-35.3	0	0	0	112.2	D123 R130 Y131	D123-N127 WeakPolarHBondContact O-CB 3.33Å; D123-N127 VanDerWaalsContact O-CG 3.24Å; D123-N127 PolarHBondContact O-N 2.99Å; D123-N127 PolarHBondContact O-ND2 2.83Å; D123-N127 VanDerWaalsContact O-ND2 3.1Å; N127-R130 PolarHBondContact O-N 3.13Å; N127-Y131 PolarHBondContact O-N 3.02Å
128	S	27.8	Very low	33	Very low	65 Å²	65	120.2 Å²	120.2	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-67	-38.1	176.6	-163.7	0	0	0	0	112	K124 K132	K124-S128 WeakPolarHBondContact O-CB 3.39Å; K124-S128 PolarHBondContact O-N 3.07Å; S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 PolarHBondContact O-N 3.15Å
129	N	30.3	Very low	33.7	Very low	58 Å²	58	118.3 Å²	118.3	31%	0.31	57%	0.572	S	S	.	*	H	α-helix	trans	-72.3	-27.3	172.9	-103.5	-51.6	0	0	0	113.4	F125 R133	F125-N129 WeakPolarHBondContact O-CB 3.48Å; F125-N129 PolarHBondContact O-N 3.43Å; N129-R133 WeakPolarHBondContact O-CB 3.42Å; N129-R133 PolarHBondContact O-N 2.96Å; N129-R133 PolarHBondContact OD1-NE 2.84Å; N129-R133 PolarHBondContact OD1-NH2 3.34Å
130	R	31	Very low	34.3	Very low	154 Å²	154	121.7 Å²	121.7	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-77.8	-31.3	-179.3	-162.1	-177.8	-53.3	172.6	3.8	112.3	S126 N127	S126-R130 VanDerWaalsContact O-CB 3.24Å; S126-R130 WeakPolarHBondContact O-CB 3.47Å; S126-R130 PolarHBondContact O-N 3.23Å; N127-R130 PolarHBondContact O-N 3.13Å
131	Y	31.1	Very low	35.1	Very low	183 Å²	183	118.1 Å²	118.1	72%	0.718	57%	0.567	S	S	*	*	H	α-helix	trans	-89.1	-39.7	177.3	-130.7	-93	0	0	0	112.8	N127 R133 R134	N127-Y131 PolarHBondContact O-N 3.02Å; Y131-R133 PolarHBondContact O-N 2.84Å; Y131-R134 PolarHBondContact O-N 3.3Å
132	K	31.1	Very low	35.8	Very low	160 Å²	160	120.1 Å²	120.1	70%	0.696	57%	0.569	S	S	*	*	H	α-helix	trans	-73.4	-22.6	179.2	-73.8	-170.8	173.9	-174.9	0	115	S128	S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 PolarHBondContact O-N 3.15Å
133	R	34.2	Very low	36.6	Very low	126 Å²	126	113 Å²	113	48%	0.475	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.6	175.1	-92.9	-172.6	-101.9	-173.7	-9.4	115.3	N129 Y131 H135	N129-R133 WeakPolarHBondContact O-CB 3.42Å; N129-R133 PolarHBondContact O-N 2.96Å; N129-R133 PolarHBondContact OD1-NE 2.84Å; N129-R133 PolarHBondContact OD1-NH2 3.34Å; Y131-R133 PolarHBondContact O-N 2.84Å; R133-H135 PolarHBondContact O-N 3.12Å
134	R	32.2	Very low	37.4	Very low	200 Å²	200	117.8 Å²	117.8	76%	0.755	56%	0.555	S	S	*	*	S	Bend	trans	-73.4	-17.9	172.2	-98.2	-179.5	164.2	170.4	-4.9	112.8	Y131	Y131-R134 PolarHBondContact O-N 3.3Å
135	H	36.7	Very low	38.4	Very low	174 Å²	174	115.5 Å²	115.5	81%	0.806	55%	0.547	S	S	*	.	S	Bend	trans	-114	4.7	-177.3	-87.9	-68.9	0	0	0	116.4	R133	R133-H135 PolarHBondContact O-N 3.12Å
136	T	38.3	Very low	39.5	Very low	91 Å²	91	111.6 Å²	111.6	56%	0.558	54%	0.535	S	S	*	.			trans	-117.9	106.3	167.6	46.7	0	0	0	0	109.1	N138	T136-N138 PolarHBondContact O-N 3.27Å
137	G	39.6	Very low	40.2	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	55%	0.546	S	S	*	.			trans	-65.9	24.4	-175.7	0	0	0	0	0	116	K139	G137-K139 PolarHBondContact O-N 3.11Å
138	N	45.7	Very low	41	Very low	116 Å²	116	115.7 Å²	115.7	62%	0.62	55%	0.553	S	S	*	*			trans	-87.7	105.2	-177.1	-98.3	-8.8	0	0	0	111.9	T136	T136-N138 PolarHBondContact O-N 3.27Å
139	K	47.2	Very low	41.8	Very low	129 Å²	129	114.5 Å²	114.5	56%	0.561	55%	0.545	S	S	*	.			trans	-99.8	94.4	177.5	-61.7	172.4	176.8	175.2	0	109.9	G137	G137-K139 PolarHBondContact O-N 3.11Å
140	H	47.3	Very low	42.9	Very low	140 Å²	140	113.5 Å²	113.5	65%	0.648	54%	0.538	S	S	*	.			trans	-82.4	-20.6	-172.6	-63.8	-39.7	0	0	0	115.6	F150	H140-F150 PolarHBondContact N-O 3.4Å
141	F	46.8	Very low	43.3	Very low	74 Å²	74	108.6 Å²	108.6	33%	0.325	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	98.6	-173.4	-59.3	-77.1	0	0	0	111.5	S149 F150 L153 L156	F141-S149 CarbonylContact O-C 3.58Å; F141-S149 WeakPolarHBondContact O-CA 3.44Å; F141-F150 HydrophobicContact CB-CB 4.42Å; F141-F150 WeakPolarHBondContact CB-O 3.46Å; F141-F150 PolarHBondContact N-O 2.91Å; F141-F150 PolarHBondContact O-N 3.47Å; F141-L153 HydrophobicContact CD1-CB 4.26Å; F141-L153 HydrophobicContact CD1-CD1 3.84Å; F141-L153 HydrophobicContact CE1-CB 4.11Å; F141-L153 HydrophobicContact CE1-CD1 4.17Å; F141-L153 HydrophobicContact CZ-CB 4.29Å; F141-L156 HydrophobicContact CB-CB 4.27Å; F141-L156 HydrophobicContact CB-CD2 3.87Å
142	K	47.4	Very low	44.1	Very low	123 Å²	123	102.6 Å²	102.6	54%	0.535	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.2	-177	-162.7	173.3	179.9	-175.9	0	112.3	K144 S147	K142-K144 PolarHBondContact O-N 3.15Å; K142-S147 VanDerWaalsContact CE-O 3.3Å; K142-S147 WeakPolarHBondContact CE-O 3.35Å
143	C	48.8	Very low	44.6	Very low	0 Å²	0	99.5 Å²	99.5	0%	0	50%	0.499	C	S	.	.			trans	-74.1	120.7	170.1	-174.1	0	0	0	0	109.6	E145 C146 S147 K148 F150 L156	C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.28Å; C143-C146 VanDerWaalsContact SG-SG 3.64Å; C143-S147 WeakPolarHBondContact O-CA 3.17Å; C143-S147 PolarHBondContact O-N 3.24Å; C143-K148 WeakPolarHBondContact CB-O 3.19Å; C143-K148 PolarHBondContact N-O 3.17Å; C143-F150 HydrophobicContact CB-CE2 4.27Å; C143-L156 HydrophobicContact CB-CD1 3.58Å
144	K	48.8	Very low	45.1	Very low	189 Å²	189	97.3 Å²	97.3	82%	0.822	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.8	-178.6	-70.3	-172.6	175.9	-176	0	112.8	K142	K142-K144 PolarHBondContact O-N 3.15Å
145	E	49.2	Very low	45.6	Very low	122 Å²	122	92.1 Å²	92.1	57%	0.57	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-30	-175.5	-67.4	165.6	144.3	0	0	114.3	C143 H163	C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.28Å; E145-H163 WeakPolarHBondContact OE2-CB 3.34Å; E145-H163 IonicContact OE2-CD2 2.93Å; E145-H163 PolarHBondContact OE2-CD2 3.08Å; E145-H163 IonicContact OE2-CG 2.81Å
146	C	53.5	Low	46.1	Very low	45 Å²	45	84.1 Å²	84.1	30%	0.304	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	6.3	-176.8	74.5	0	0	0	0	113.8	C143 K148 H159 H163	C143-C146 VanDerWaalsContact SG-SG 3.64Å; C146-K148 PolarHBondContact O-N 3.15Å; C146-H159 PolarHBondContact SG-NE2 3.15Å; C146-H163 PolarHBondContact SG-NE2 2.84Å
147	S	46.3	Very low	46.4	Very low	74 Å²	74	83.1 Å²	83.1	52%	0.517	45%	0.445	S	S	.	.			trans	57.3	11.1	179.8	-71.1	0	0	0	0	116.4	K142 C143	K142-S147 VanDerWaalsContact CE-O 3.3Å; K142-S147 WeakPolarHBondContact CE-O 3.35Å; C143-S147 WeakPolarHBondContact O-CA 3.17Å; C143-S147 PolarHBondContact O-N 3.24Å
148	K	48.3	Very low	46.9	Very low	128 Å²	128	84.1 Å²	84.1	56%	0.557	43%	0.428	S	S	*	.			trans	-73.9	130.1	175.6	-74.5	-177.3	177	176.6	0	111.3	C143 C146 F150	C143-K148 WeakPolarHBondContact CB-O 3.19Å; C143-K148 PolarHBondContact N-O 3.17Å; C146-K148 PolarHBondContact O-N 3.15Å; K148-F150 HydrophobicContact CB-CE2 3.86Å; K148-F150 HydrophobicContact CB-CZ 3.95Å; K148-F150 WeakPolarHBondContact O-CD2 3.46Å; K148-F150 VanDerWaalsContact O-CE2 3.3Å; K148-F150 WeakPolarHBondContact O-CE2 3.45Å
149	S	44.4	Very low	47.2	Very low	41 Å²	41	79.8 Å²	79.8	29%	0.287	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.2	-179.9	-47.5	0	0	0	0	111.8	F141	F141-S149 CarbonylContact O-C 3.58Å; F141-S149 WeakPolarHBondContact O-CA 3.44Å
150	F	53.1	Low	47.4	Very low	37 Å²	37	78.7 Å²	78.7	16%	0.162	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.5	-177.5	-59.2	-86.6	0	0	0	110.1	H140 F141 C143 K148 Q155 L156 H159	H140-F150 PolarHBondContact N-O 3.4Å; F141-F150 HydrophobicContact CB-CB 4.42Å; F141-F150 WeakPolarHBondContact CB-O 3.46Å; F141-F150 PolarHBondContact N-O 2.91Å; F141-F150 PolarHBondContact O-N 3.47Å; C143-F150 HydrophobicContact CB-CE2 4.27Å; K148-F150 HydrophobicContact CB-CE2 3.86Å; K148-F150 HydrophobicContact CB-CZ 3.95Å; K148-F150 WeakPolarHBondContact O-CD2 3.46Å; K148-F150 VanDerWaalsContact O-CE2 3.3Å; K148-F150 WeakPolarHBondContact O-CE2 3.45Å; F150-Q155 HydrophobicContact CB-CB 4.27Å; F150-Q155 HydrophobicContact CD1-CB 3.98Å; F150-Q155 HydrophobicContact CG-CB 4.36Å; F150-L156 HydrophobicContact CB-CB 4.33Å; F150-L156 HydrophobicContact CD2-CB 3.93Å; F150-L156 HydrophobicContact CD2-CD1 3.77Å; F150-L156 HydrophobicContact CD2-CG 4.44Å; F150-L156 HydrophobicContact CE2-CD1 3.96Å; F150-L156 HydrophobicContact CG-CB 4.32Å; F150-H159 HydrophobicContact CE1-CB 4.11Å; F150-H159 HydrophobicContact CE2-CB 3.88Å; F150-H159 AromaticContact CE2-CD2 3.5Å; F150-H159 AromaticContact CE2-CG 3.66Å; F150-H159 HydrophobicContact CZ-CB 3.53Å; F150-H159 AromaticContact CZ-CD2 3.51Å; F150-H159 AromaticContact CZ-CG 3.24Å; F150-H159 AromaticContact CZ-ND1 3.67Å
151	C	40.3	Very low	47.8	Very low	51 Å²	51	77.3 Å²	77.3	35%	0.345	39%	0.386	S	S	.	.	S	Bend	trans	-87.1	-13.5	-178	-52.5	0	0	0	0	112.8
152	V	47.7	Very low	47.9	Very low	57 Å²	57	78.8 Å²	78.8	35%	0.345	40%	0.396	S	S	.	.	S	Bend	trans	-141.9	137.1	-177.2	-167.5	0	0	0	0	109.9	S154 Q155 L156	V152-S154 VanDerWaalsContact C-N 3.33Å; V152-S154 PolarHBondContact O-N 3.08Å; V152-Q155 HydrophobicContact CB-CG 4.47Å; V152-Q155 WeakPolarHBondContact O-CB 3.29Å; V152-Q155 PolarHBondContact O-N 3.33Å; V152-Q155 VanDerWaalsContact O-N 3.15Å; V152-L156 PolarHBondContact O-N 3.5Å
153	L	40.1	Very low	47.8	Very low	94 Å²	94	76.2 Å²	76.2	49%	0.492	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-37.5	-175	-174.1	62.2	0	0	0	113.2	F141 Q155 L156 T157	F141-L153 HydrophobicContact CD1-CB 4.26Å; F141-L153 HydrophobicContact CD1-CD1 3.84Å; F141-L153 HydrophobicContact CE1-CB 4.11Å; F141-L153 HydrophobicContact CE1-CD1 4.17Å; F141-L153 HydrophobicContact CZ-CB 4.29Å; L153-Q155 PolarHBondContact O-N 3.32Å; L153-L156 HydrophobicContact CD1-CD2 4.31Å; L153-L156 WeakPolarHBondContact O-CB 2.94Å; L153-L156 PolarHBondContact O-N 3.19Å; L153-T157 PolarHBondContact O-N 2.83Å; L153-T157 PolarHBondContact O-OG1 3.15Å
154	S	44.6	Very low	47.8	Very low	80 Å²	80	80.2 Å²	80.2	56%	0.559	41%	0.41	S	S	*	.	H	α-helix	trans	-59	-32.6	177.6	59.5	0	0	0	0	113.5	V152 Q158	V152-S154 VanDerWaalsContact C-N 3.33Å; V152-S154 PolarHBondContact O-N 3.08Å; S154-Q158 WeakPolarHBondContact O-CB 3.27Å; S154-Q158 PolarHBondContact O-N 3.44Å
155	Q	43.9	Very low	47.8	Very low	91 Å²	91	81.9 Å²	81.9	43%	0.425	41%	0.411	S	S	.	.	H	α-helix	trans	-74.4	-37.4	176.3	-63.6	177.9	-15.7	0	0	111.6	F150 V152 L153 Q158 H159	F150-Q155 HydrophobicContact CB-CB 4.27Å; F150-Q155 HydrophobicContact CD1-CB 3.98Å; F150-Q155 HydrophobicContact CG-CB 4.36Å; V152-Q155 HydrophobicContact CB-CG 4.47Å; V152-Q155 WeakPolarHBondContact O-CB 3.29Å; V152-Q155 PolarHBondContact O-N 3.33Å; V152-Q155 VanDerWaalsContact O-N 3.15Å; L153-Q155 PolarHBondContact O-N 3.32Å; Q155-Q158 PolarHBondContact O-N 2.93Å; Q155-H159 WeakPolarHBondContact O-CB 3.43Å; Q155-H159 PolarHBondContact O-N 3.46Å
156	L	46.3	Very low	47.7	Very low	7 Å²	7	81 Å²	81	4%	0.037	41%	0.414	C	S	.	.	H	α-helix	trans	-65.2	-42.7	172	174.9	60.8	0	0	0	110.6	F141 C143 F150 V152 L153 H159 R160	F141-L156 HydrophobicContact CB-CB 4.27Å; F141-L156 HydrophobicContact CB-CD2 3.87Å; C143-L156 HydrophobicContact CB-CD1 3.58Å; F150-L156 HydrophobicContact CB-CB 4.33Å; F150-L156 HydrophobicContact CD2-CB 3.93Å; F150-L156 HydrophobicContact CD2-CD1 3.77Å; F150-L156 HydrophobicContact CD2-CG 4.44Å; F150-L156 HydrophobicContact CE2-CD1 3.96Å; F150-L156 HydrophobicContact CG-CB 4.32Å; V152-L156 PolarHBondContact O-N 3.5Å; L153-L156 HydrophobicContact CD1-CD2 4.31Å; L153-L156 WeakPolarHBondContact O-CB 2.94Å; L153-L156 PolarHBondContact O-N 3.19Å; L156-H159 PolarHBondContact O-N 3.3Å; L156-R160 HydrophobicContact CD1-CG 4.15Å; L156-R160 WeakPolarHBondContact O-CG 3.19Å; L156-R160 PolarHBondContact O-N 3.45Å
157	T	45.3	Very low	47.7	Very low	69 Å²	69	81.8 Å²	81.8	42%	0.423	42%	0.416	S	S	.	.	H	α-helix	trans	-63.5	-41.7	176.8	-48.5	0	0	0	0	111.4	L153 H159 R160 R161	L153-T157 PolarHBondContact O-N 2.83Å; L153-T157 PolarHBondContact O-OG1 3.15Å; T157-H159 VanDerWaalsContact C-N 3.33Å; T157-R160 PolarHBondContact O-N 3.34Å; T157-R161 PolarHBondContact O-N 3.03Å
158	Q	49.9	Very low	47.9	Very low	99 Å²	99	81.9 Å²	81.9	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-66.2	-35.7	173.5	-172.2	-179.4	9.5	0	0	112.3	S154 Q155 R161	S154-Q158 WeakPolarHBondContact O-CB 3.27Å; S154-Q158 PolarHBondContact O-N 3.44Å; Q155-Q158 PolarHBondContact O-N 2.93Å; Q158-R161 WeakPolarHBondContact O-CB 3.42Å; Q158-R161 PolarHBondContact O-N 3.29Å
159	H	52.6	Low	48.1	Very low	25 Å²	25	80.5 Å²	80.5	12%	0.116	41%	0.408	C	S	.	.	H	α-helix	trans	-71.3	-38.4	177.5	179.6	69.2	0	0	0	112.7	C146 F150 Q155 L156 T157 R161 I162 H163	C146-H159 PolarHBondContact SG-NE2 3.15Å; F150-H159 HydrophobicContact CE1-CB 4.11Å; F150-H159 HydrophobicContact CE2-CB 3.88Å; F150-H159 AromaticContact CE2-CD2 3.5Å; F150-H159 AromaticContact CE2-CG 3.66Å; F150-H159 HydrophobicContact CZ-CB 3.53Å; F150-H159 AromaticContact CZ-CD2 3.51Å; F150-H159 AromaticContact CZ-CG 3.24Å; F150-H159 AromaticContact CZ-ND1 3.67Å; Q155-H159 WeakPolarHBondContact O-CB 3.43Å; Q155-H159 PolarHBondContact O-N 3.46Å; L156-H159 PolarHBondContact O-N 3.3Å; T157-H159 VanDerWaalsContact C-N 3.33Å; H159-R161 PolarHBondContact O-N 3.11Å; H159-I162 VanDerWaalsContact O-CB 3.23Å; H159-I162 WeakPolarHBondContact O-CB 3.17Å; H159-I162 WeakPolarHBondContact O-CG1 3.47Å; H159-I162 PolarHBondContact O-N 3.45Å; H159-H163 AromaticContact CD2-NE2 3.84Å; H159-H163 AromaticContact CE1-NE2 3.8Å; H159-H163 AromaticContact NE2-CD2 3.95Å; H159-H163 AromaticContact NE2-NE2 3.13Å; H159-H163 PolarHBondContact NE2-NE2 3.24Å; H159-H163 VanDerWaalsContact NE2-NE2 3.13Å
160	R	50.6	Low	48.4	Very low	107 Å²	107	85.5 Å²	85.5	40%	0.404	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-22.1	175.6	-76.6	-176.4	-179.6	-172.5	2.8	113.3	L156 T157 I162 H163 T164	L156-R160 HydrophobicContact CD1-CG 4.15Å; L156-R160 WeakPolarHBondContact O-CG 3.19Å; L156-R160 PolarHBondContact O-N 3.45Å; T157-R160 PolarHBondContact O-N 3.34Å; R160-I162 PolarHBondContact O-N 2.86Å; R160-H163 PolarHBondContact O-N 3.42Å; R160-T164 PolarHBondContact O-N 3.18Å; R160-T164 PolarHBondContact O-OG1 3.49Å
161	R	55.5	Low	48.4	Very low	111 Å²	111	83.8 Å²	83.8	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-16.8	170.5	-63.4	177.2	-172	-175.5	0.7	113.3	T157 Q158 H159	T157-R161 PolarHBondContact O-N 3.03Å; Q158-R161 WeakPolarHBondContact O-CB 3.42Å; Q158-R161 PolarHBondContact O-N 3.29Å; H159-R161 PolarHBondContact O-N 3.11Å
162	I	49.6	Very low	48.9	Very low	105 Å²	105	90 Å²	90	54%	0.538	44%	0.441	S	S	.	.	H	α-helix	trans	-78.2	-33.7	176.7	-57.8	174.7	0	0	0	110.9	H159 R160	H159-I162 VanDerWaalsContact O-CB 3.23Å; H159-I162 WeakPolarHBondContact O-CB 3.17Å; H159-I162 WeakPolarHBondContact O-CG1 3.47Å; H159-I162 PolarHBondContact O-N 3.45Å; R160-I162 PolarHBondContact O-N 2.86Å
163	H	45.3	Very low	49	Very low	68 Å²	68	94 Å²	94	32%	0.315	46%	0.456	S	S	.	.	H	α-helix	trans	-86.8	-31.6	-175.8	-62.3	-56.1	0	0	0	113.1	E145 C146 H159 R160 R165	E145-H163 WeakPolarHBondContact OE2-CB 3.34Å; E145-H163 IonicContact OE2-CD2 2.93Å; E145-H163 PolarHBondContact OE2-CD2 3.08Å; E145-H163 IonicContact OE2-CG 2.81Å; C146-H163 PolarHBondContact SG-NE2 2.84Å; H159-H163 AromaticContact CD2-NE2 3.84Å; H159-H163 AromaticContact CE1-NE2 3.8Å; H159-H163 AromaticContact NE2-CD2 3.95Å; H159-H163 AromaticContact NE2-NE2 3.13Å; H159-H163 PolarHBondContact NE2-NE2 3.24Å; H159-H163 VanDerWaalsContact NE2-NE2 3.13Å; R160-H163 PolarHBondContact O-N 3.42Å; H163-R165 VanDerWaalsContact C-N 3.27Å; H163-R165 PolarHBondContact O-N 3.21Å
164	T	48.6	Very low	49.4	Very low	84 Å²	84	91.8 Å²	91.8	52%	0.515	45%	0.448	S	S	.	.	S	Bend	trans	-75.9	-5.5	-178.9	43.3	0	0	0	0	114.7	R160 V166	R160-T164 PolarHBondContact O-N 3.18Å; R160-T164 PolarHBondContact O-OG1 3.49Å; T164-V166 PolarHBondContact O-N 3.05Å
165	R	48.5	Very low	49.6	Very low	224 Å²	224	90.9 Å²	90.9	85%	0.845	45%	0.451	S	S	*	.			trans	49.2	15	-176.9	-80.9	-172.9	178.4	-178.7	1.8	116	H163 N167	H163-R165 VanDerWaalsContact C-N 3.27Å; H163-R165 PolarHBondContact O-N 3.21Å; R165-N167 PolarHBondContact O-N 3.17Å
166	V	48.1	Very low	49.8	Very low	103 Å²	103	89.8 Å²	89.8	62%	0.624	45%	0.445	S	S	*	.			trans	-85.2	94.1	172.8	-176.4	0	0	0	0	108.9	T164	T164-V166 PolarHBondContact O-N 3.05Å
167	N	52.3	Low	49.8	Very low	63 Å²	63	91.1 Å²	91.1	34%	0.337	46%	0.457	S	S	.	.			trans	-84.9	113.2	167.7	-63.9	-54.6	0	0	0	109	R165 Y169 A177 N179	R165-N167 PolarHBondContact O-N 3.17Å; N167-Y169 VanDerWaalsContact C-N 3.33Å; N167-Y169 PolarHBondContact O-N 2.93Å; N167-A177 HydrophobicContact CB-CB 3.31Å; N167-A177 WeakPolarHBondContact ND2-CB 3.43Å; N167-N179 PolarHBondContact OD1-OD1 3.39Å
168	S	52	Low	50.3	Low	76 Å²	76	89.8 Å²	89.8	53%	0.531	45%	0.445	S	S	.	.	S	Bend	trans	-70.4	-21.8	-170.9	-44.1	0	0	0	0	114.8
169	Y	52.3	Low	50	Low	99 Å²	99	88.7 Å²	88.7	39%	0.388	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	114.7	-175	-55.7	-76.2	0	0	0	111.1	N167 F178 F181	N167-Y169 VanDerWaalsContact C-N 3.33Å; N167-Y169 PolarHBondContact O-N 2.93Å; Y169-F178 PolarHBondContact N-O 3.33Å; Y169-F178 PolarHBondContact O-N 3.18Å; Y169-F181 HydrophobicContact CD1-CB 4.24Å; Y169-F181 AromaticContact CD1-CD2 3.75Å; Y169-F181 HydrophobicContact CD1-CD2 3.75Å; Y169-F181 HydrophobicContact CD1-CG 4.49Å; Y169-F181 HydrophobicContact CD2-CB 4.24Å; Y169-F181 HydrophobicContact CE1-CB 4.07Å; Y169-F181 AromaticContact CE1-CD2 3.91Å; Y169-F181 HydrophobicContact CE1-CD2 3.91Å; Y169-F181 HydrophobicContact CE1-CG 4.41Å; Y169-F181 HydrophobicContact CE2-CB 4.08Å; Y169-F181 HydrophobicContact CG-CB 4.32Å; Y169-F181 HydrophobicContact CG-CD2 4.35Å
170	K	49.8	Very low	49.9	Very low	146 Å²	146	93.6 Å²	93.6	64%	0.635	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.6	179.5	-67.3	178.4	-175.9	173.2	0	110.5	E172 A177	K170-E172 PolarHBondContact O-N 3.21Å; K170-A177 HydrophobicContact CG-CB 3.99Å
171	C	52.6	Low	49.5	Very low	1 Å²	1	94 Å²	94	1%	0.007	47%	0.465	C	S	.	.			trans	-82	113	169.6	178.9	0	0	0	0	108.8	E173 C174 G175 K176 F178 L184 H191	C171-E173 PolarHBondContact O-N 3.48Å; C171-C174 PolarHBondContact O-N 2.96Å; C171-G175 VanDerWaalsContact O-CA 3.29Å; C171-G175 WeakPolarHBondContact O-CA 3.37Å; C171-G175 PolarHBondContact O-N 3.02Å; C171-K176 PolarHBondContact N-O 3.21Å; C171-F178 HydrophobicContact CB-CE2 4.18Å; C171-L184 HydrophobicContact CB-CD1 3.59Å; C171-H191 PolarHBondContact SG-NE2 3.41Å
172	E	50.8	Low	49.3	Very low	182 Å²	182	91.9 Å²	91.9	85%	0.85	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.7	-177.5	-69.8	169.8	-179.1	0	0	112.6	K170	K170-E172 PolarHBondContact O-N 3.21Å
173	E	50.3	Low	49.4	Very low	140 Å²	140	89.5 Å²	89.5	65%	0.654	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-26	-177.9	-66	175.3	155	0	0	114.6	C171 H191	C171-E173 PolarHBondContact O-N 3.48Å; E173-H191 WeakPolarHBondContact OE2-CB 3.44Å; E173-H191 IonicContact OE2-CD2 2.96Å; E173-H191 PolarHBondContact OE2-CD2 3.47Å; E173-H191 IonicContact OE2-CG 3.17Å; E173-H191 IonicContact OE2-NE2 3.08Å
174	C	48.8	Very low	49.9	Very low	48 Å²	48	86.6 Å²	86.6	32%	0.324	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	0.6	-175.1	79.9	0	0	0	0	115	C171 K176 H187	C171-C174 PolarHBondContact O-N 2.96Å; C174-K176 PolarHBondContact O-N 2.82Å; C174-K176 VanDerWaalsContact O-N 3.1Å; C174-K176 VanDerWaalsContact SG-CB 3.58Å; C174-H187 PolarHBondContact SG-NE2 3.48Å
175	G	49.2	Very low	50.2	Low	60 Å²	60	85 Å²	85	62%	0.619	44%	0.435	S	S	*	.			trans	66.9	4.2	179.7	0	0	0	0	0	114.9	C171	C171-G175 VanDerWaalsContact O-CA 3.29Å; C171-G175 WeakPolarHBondContact O-CA 3.37Å; C171-G175 PolarHBondContact O-N 3.02Å
176	K	48.1	Very low	50.7	Low	68 Å²	68	79.7 Å²	79.7	30%	0.296	42%	0.418	S	S	.	.			trans	-74.7	135.2	179.9	-71	-178.1	-179	176.2	0	110.5	C171 C174 F178	C171-K176 PolarHBondContact N-O 3.21Å; C174-K176 PolarHBondContact O-N 2.82Å; C174-K176 VanDerWaalsContact O-N 3.1Å; C174-K176 VanDerWaalsContact SG-CB 3.58Å; K176-F178 HydrophobicContact CB-CE2 3.79Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 WeakPolarHBondContact O-CD2 3.41Å; K176-F178 WeakPolarHBondContact O-CE2 3.39Å
177	A	46.3	Very low	51.4	Low	35 Å²	35	75.8 Å²	75.8	29%	0.289	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.4	-175.1	0	0	0	0	0	110.8	N167 K170	N167-A177 HydrophobicContact CB-CB 3.31Å; N167-A177 WeakPolarHBondContact ND2-CB 3.43Å; K170-A177 HydrophobicContact CG-CB 3.99Å
178	F	54.5	Low	51.6	Low	41 Å²	41	77 Å²	77	18%	0.18	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.1	-172.5	-62.1	-88.8	0	0	0	110.7	Y169 C171 K176 W180 L184 H187	Y169-F178 PolarHBondContact N-O 3.33Å; Y169-F178 PolarHBondContact O-N 3.18Å; C171-F178 HydrophobicContact CB-CE2 4.18Å; K176-F178 HydrophobicContact CB-CE2 3.79Å; K176-F178 HydrophobicContact CB-CZ 3.95Å; K176-F178 WeakPolarHBondContact O-CD2 3.41Å; K176-F178 WeakPolarHBondContact O-CE2 3.39Å; F178-W180 VanDerWaalsContact C-N 3.28Å; F178-W180 PolarHBondContact O-N 2.87Å; F178-L184 HydrophobicContact CB-CB 4.21Å; F178-L184 HydrophobicContact CD2-CB 4.05Å; F178-L184 HydrophobicContact CD2-CD1 3.68Å; F178-L184 HydrophobicContact CD2-CG 4.46Å; F178-L184 HydrophobicContact CE2-CD1 3.93Å; F178-L184 HydrophobicContact CG-CB 4.24Å; F178-H187 HydrophobicContact CE1-CB 3.91Å; F178-H187 AromaticContact CE1-CG 3.95Å; F178-H187 HydrophobicContact CE2-CB 3.98Å; F178-H187 AromaticContact CE2-CD2 3.37Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.47Å; F178-H187 AromaticContact CE2-CG 3.63Å; F178-H187 AromaticContact CE2-NE2 3.97Å; F178-H187 HydrophobicContact CZ-CB 3.52Å; F178-H187 AromaticContact CZ-CD2 3.33Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CE1 3.89Å; F178-H187 AromaticContact CZ-CG 3.14Å; F178-H187 AromaticContact CZ-ND1 3.52Å; F178-H187 AromaticContact CZ-NE2 3.78Å
179	N	43.9	Very low	52.2	Low	76 Å²	76	76.4 Å²	76.4	41%	0.406	38%	0.381	S	S	.	.	S	Bend	trans	-81.6	-10	-178.2	-58	1.3	0	0	0	112.5	N167	N167-N179 PolarHBondContact OD1-OD1 3.39Å
180	W	50.3	Low	52.4	Low	128 Å²	128	76.7 Å²	76.7	49%	0.485	39%	0.388	S	S	.	.	S	Bend	trans	-141.2	140.3	-178.3	-56.4	97	0	0	0	111	F178 S182 T183 L184	F178-W180 VanDerWaalsContact C-N 3.28Å; F178-W180 PolarHBondContact O-N 2.87Å; W180-S182 VanDerWaalsContact C-N 3.31Å; W180-S182 PolarHBondContact O-N 3.43Å; W180-T183 PolarHBondContact O-N 3.27Å; W180-T183 PolarHBondContact O-OG1 3.46Å; W180-L184 PolarHBondContact O-N 3.46Å; W180-L184 VanDerWaalsContact O-N 3.15Å
181	F	42	Very low	52.6	Low	115 Å²	115	73.3 Å²	73.3	50%	0.504	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-34.5	177.4	-175.2	-100.6	0	0	0	112.6	Y169 T183 L184 T185	Y169-F181 HydrophobicContact CD1-CB 4.24Å; Y169-F181 AromaticContact CD1-CD2 3.75Å; Y169-F181 HydrophobicContact CD1-CD2 3.75Å; Y169-F181 HydrophobicContact CD1-CG 4.49Å; Y169-F181 HydrophobicContact CD2-CB 4.24Å; Y169-F181 HydrophobicContact CE1-CB 4.07Å; Y169-F181 AromaticContact CE1-CD2 3.91Å; Y169-F181 HydrophobicContact CE1-CD2 3.91Å; Y169-F181 HydrophobicContact CE1-CG 4.41Å; Y169-F181 HydrophobicContact CE2-CB 4.08Å; Y169-F181 HydrophobicContact CG-CB 4.32Å; Y169-F181 HydrophobicContact CG-CD2 4.35Å; F181-T183 VanDerWaalsContact C-N 3.29Å; F181-T183 PolarHBondContact O-N 2.91Å; F181-L184 PolarHBondContact O-N 3.27Å; F181-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F181-T185 WeakPolarHBondContact O-CB 3.32Å; F181-T185 PolarHBondContact O-N 2.79Å; F181-T185 PolarHBondContact O-OG1 2.91Å
182	S	51	Low	52.7	Low	68 Å²	68	77.1 Å²	77.1	48%	0.476	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-29.5	177.3	62.9	0	0	0	0	113.1	W180 K186	W180-S182 VanDerWaalsContact C-N 3.31Å; W180-S182 PolarHBondContact O-N 3.43Å; S182-K186 VanDerWaalsContact O-CG 3.27Å; S182-K186 WeakPolarHBondContact O-CG 3.36Å; S182-K186 PolarHBondContact O-N 3.2Å; S182-K186 VanDerWaalsContact O-N 3.16Å
183	T	53	Low	52.8	Low	55 Å²	55	70.9 Å²	70.9	34%	0.337	38%	0.382	S	S	.	.	H	α-helix	trans	-81.7	-33.9	173.6	48.8	0	0	0	0	112.1	W180 F181 K186 H187	W180-T183 PolarHBondContact O-N 3.27Å; W180-T183 PolarHBondContact O-OG1 3.46Å; F181-T183 VanDerWaalsContact C-N 3.29Å; F181-T183 PolarHBondContact O-N 2.91Å; T183-K186 PolarHBondContact O-N 3.32Å; T183-H187 VanDerWaalsContact O-CB 3.25Å; T183-H187 WeakPolarHBondContact O-CB 3.44Å; T183-H187 PolarHBondContact O-N 3.09Å
184	L	55.8	Low	53.2	Low	7 Å²	7	69.3 Å²	69.3	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-44.7	167.9	174.7	61.7	0	0	0	111.1	C171 F178 W180 F181 K186 H187 K188	C171-L184 HydrophobicContact CB-CD1 3.59Å; F178-L184 HydrophobicContact CB-CB 4.21Å; F178-L184 HydrophobicContact CD2-CB 4.05Å; F178-L184 HydrophobicContact CD2-CD1 3.68Å; F178-L184 HydrophobicContact CD2-CG 4.46Å; F178-L184 HydrophobicContact CE2-CD1 3.93Å; F178-L184 HydrophobicContact CG-CB 4.24Å; W180-L184 PolarHBondContact O-N 3.46Å; W180-L184 VanDerWaalsContact O-N 3.15Å; F181-L184 PolarHBondContact O-N 3.27Å; L184-K186 PolarHBondContact O-N 2.92Å; L184-H187 CarbonylContact O-C 3.5Å; L184-H187 WeakPolarHBondContact O-CA 3.46Å; L184-H187 WeakPolarHBondContact O-CB 3.25Å; L184-H187 PolarHBondContact O-N 2.89Å; L184-K188 HydrophobicContact CD1-CG 4.2Å; L184-K188 HydrophobicContact CG-CG 4.45Å; L184-K188 WeakPolarHBondContact O-CG 3.45Å; L184-K188 PolarHBondContact O-N 3.03Å
185	T	54.3	Low	53.9	Low	51 Å²	51	72.9 Å²	72.9	31%	0.313	39%	0.385	S	S	.	.	H	α-helix	trans	-62.1	-43.7	178.6	-56	0	0	0	0	111.4	F181 H187 K188	F181-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F181-T185 WeakPolarHBondContact O-CB 3.32Å; F181-T185 PolarHBondContact O-N 2.79Å; F181-T185 PolarHBondContact O-OG1 2.91Å; T185-H187 VanDerWaalsContact C-N 3.29Å; T185-H187 PolarHBondContact O-N 2.83Å; T185-K188 PolarHBondContact O-N 3.29Å
186	K	60	Low	54.6	Low	111 Å²	111	73.4 Å²	73.4	48%	0.483	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-32	172.4	-72.4	170.7	-174.7	176.3	0	112.7	S182 T183 L184	S182-K186 VanDerWaalsContact O-CG 3.27Å; S182-K186 WeakPolarHBondContact O-CG 3.36Å; S182-K186 PolarHBondContact O-N 3.2Å; S182-K186 VanDerWaalsContact O-N 3.16Å; T183-K186 PolarHBondContact O-N 3.32Å; L184-K186 PolarHBondContact O-N 2.92Å
187	H	61.4	Low	55.4	Low	21 Å²	21	74 Å²	74	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-73.2	-39.4	177	177.6	70.8	0	0	0	112.5	C174 F178 T183 L184 T185 R189 I190 H191	C174-H187 PolarHBondContact SG-NE2 3.48Å; F178-H187 HydrophobicContact CE1-CB 3.91Å; F178-H187 AromaticContact CE1-CG 3.95Å; F178-H187 HydrophobicContact CE2-CB 3.98Å; F178-H187 AromaticContact CE2-CD2 3.37Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.47Å; F178-H187 AromaticContact CE2-CG 3.63Å; F178-H187 AromaticContact CE2-NE2 3.97Å; F178-H187 HydrophobicContact CZ-CB 3.52Å; F178-H187 AromaticContact CZ-CD2 3.33Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CE1 3.89Å; F178-H187 AromaticContact CZ-CG 3.14Å; F178-H187 AromaticContact CZ-ND1 3.52Å; F178-H187 AromaticContact CZ-NE2 3.78Å; T183-H187 VanDerWaalsContact O-CB 3.25Å; T183-H187 WeakPolarHBondContact O-CB 3.44Å; T183-H187 PolarHBondContact O-N 3.09Å; L184-H187 CarbonylContact O-C 3.5Å; L184-H187 WeakPolarHBondContact O-CA 3.46Å; L184-H187 WeakPolarHBondContact O-CB 3.25Å; L184-H187 PolarHBondContact O-N 2.89Å; T185-H187 VanDerWaalsContact C-N 3.29Å; T185-H187 PolarHBondContact O-N 2.83Å; H187-R189 PolarHBondContact O-N 2.84Å; H187-I190 WeakPolarHBondContact O-CB 2.99Å; H187-I190 WeakPolarHBondContact O-CG1 3.41Å; H187-I190 PolarHBondContact O-N 3.29Å; H187-H191 AromaticContact NE2-NE2 3.52Å
188	K	57.7	Low	56.2	Low	89 Å²	89	79.3 Å²	79.3	39%	0.387	40%	0.395	S	S	.	.	H	α-helix	trans	-58.1	-32.2	176	-74.5	-172.8	173.8	-166.9	0	112.3	L184 T185 I190 H191 T192	L184-K188 HydrophobicContact CD1-CG 4.2Å; L184-K188 HydrophobicContact CG-CG 4.45Å; L184-K188 WeakPolarHBondContact O-CG 3.45Å; L184-K188 PolarHBondContact O-N 3.03Å; T185-K188 PolarHBondContact O-N 3.29Å; K188-I190 PolarHBondContact O-N 3.46Å; K188-I190 VanDerWaalsContact O-N 3.07Å; K188-H191 PolarHBondContact O-N 3.2Å; K188-T192 PolarHBondContact O-N 3.18Å
189	R	64.6	Low	56.8	Low	63 Å²	63	77.4 Å²	77.4	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-60.8	-16	172.5	-62.7	179.5	-172.2	179.5	-1.4	114.6	H187 T192 G193	H187-R189 PolarHBondContact O-N 2.84Å; R189-T192 WeakPolarHBondContact CA-OG1 3.45Å; R189-G193 PolarHBondContact O-N 3.18Å
190	I	57	Low	57.9	Low	105 Å²	105	82.4 Å²	82.4	54%	0.538	41%	0.408	S	S	.	.	H	α-helix	trans	-75.5	-33.4	174.2	-59.4	176.2	0	0	0	110.7	H187 K188	H187-I190 WeakPolarHBondContact O-CB 2.99Å; H187-I190 WeakPolarHBondContact O-CG1 3.41Å; H187-I190 PolarHBondContact O-N 3.29Å; K188-I190 PolarHBondContact O-N 3.46Å; K188-I190 VanDerWaalsContact O-N 3.07Å
191	H	52.3	Low	58.5	Low	75 Å²	75	82.4 Å²	82.4	35%	0.347	41%	0.413	S	S	.	.	H	α-helix	trans	-83.3	-40.2	-179.9	-58.3	-54.4	0	0	0	111.8	C171 E173 H187 K188 G193	C171-H191 PolarHBondContact SG-NE2 3.41Å; E173-H191 WeakPolarHBondContact OE2-CB 3.44Å; E173-H191 IonicContact OE2-CD2 2.96Å; E173-H191 PolarHBondContact OE2-CD2 3.47Å; E173-H191 IonicContact OE2-CG 3.17Å; E173-H191 IonicContact OE2-NE2 3.08Å; H187-H191 AromaticContact NE2-NE2 3.52Å; K188-H191 PolarHBondContact O-N 3.2Å; H191-G193 VanDerWaalsContact C-N 3.27Å; H191-G193 PolarHBondContact O-N 2.91Å
192	T	56.3	Low	59.5	Low	82 Å²	82	79.3 Å²	79.3	50%	0.503	41%	0.405	S	S	.	.	S	Bend	trans	-75.5	-15.1	177.4	62	0	0	0	0	113.2	K188 R189 E194	K188-T192 PolarHBondContact O-N 3.18Å; R189-T192 WeakPolarHBondContact CA-OG1 3.45Å; T192-E194 PolarHBondContact O-N 3.49Å
193	G	52.5	Low	60.2	Low	50 Å²	50	79 Å²	79	52%	0.515	41%	0.412	S	S	.	.			trans	71.3	5.1	-179.1	0	0	0	0	0	114.8	R189 H191 K195	R189-G193 PolarHBondContact O-N 3.18Å; H191-G193 VanDerWaalsContact C-N 3.27Å; H191-G193 PolarHBondContact O-N 2.91Å; G193-K195 PolarHBondContact O-N 2.84Å
194	E	59.3	Low	60.7	Low	108 Å²	108	82.2 Å²	82.2	51%	0.505	42%	0.422	S	S	.	.			trans	-61.8	130.5	-177.3	-74.2	177.9	177.2	0	0	112.6	T192	T192-E194 PolarHBondContact O-N 3.49Å
195	K	63	Low	61.1	Low	123 Å²	123	83.5 Å²	83.5	54%	0.535	43%	0.434	S	S	.	.			trans	-126.5	77.9	177.2	-65.6	176.6	-173.5	176.2	0	110.1	G193 Y197 A205 F206	G193-K195 PolarHBondContact O-N 2.84Å; K195-Y197 PolarHBondContact O-N 3.14Å; K195-A205 HydrophobicContact CB-CB 3.57Å; K195-A205 HydrophobicContact CD-CB 4.04Å; K195-A205 WeakPolarHBondContact CD-O 3.49Å; K195-A205 HydrophobicContact CG-CB 4.47Å; K195-F206 CarbonylContact C-O 3.6Å; K195-F206 VanDerWaalsContact C-O 3.24Å; K195-F206 VanDerWaalsContact CA-O 3.31Å; K195-F206 WeakPolarHBondContact CA-O 3.48Å
196	P	63.3	Low	61.9	Low	71 Å²	71	83 Å²	83	46%	0.461	43%	0.427	S	S	.	.			trans	-68.1	-21.5	-170.6	-17.8	31.2	0	0	0	113.6
197	Y	65.6	Low	61.6	Low	80 Å²	80	80.5 Å²	80.5	31%	0.314	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	100	-171.4	-54.9	-78.3	0	0	0	110	K195 A205 F206 Q208	K195-Y197 PolarHBondContact O-N 3.14Å; Y197-A205 CarbonylContact O-C 3.56Å; Y197-A205 WeakPolarHBondContact O-CA 3.35Å; Y197-F206 PolarHBondContact N-O 3.5Å; Y197-F206 VanDerWaalsContact N-O 3.1Å; Y197-F206 PolarHBondContact O-N 3.37Å; Y197-Q208 VanDerWaalsContact CD2-C 3.41Å
198	K	62.6	Low	61.7	Low	146 Å²	146	83 Å²	83	64%	0.635	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	179.3	-65.1	-179.6	-177	174.7	0	111.1	A205 L212	K198-A205 HydrophobicContact CG-CB 3.88Å; K198-L212 WeakPolarHBondContact O-CD2 3.45Å
199	C	66.3	Low	61.6	Low	1 Å²	1	81.9 Å²	81.9	1%	0.007	43%	0.434	C	S	.	.			trans	-83.1	117.9	168.7	178.7	0	0	0	0	108.5	E201 G203 K204 F206 L212	C199-E201 VanDerWaalsContact C-N 3.31Å; C199-E201 PolarHBondContact O-N 3.21Å; C199-G203 WeakPolarHBondContact O-CA 3.48Å; C199-G203 PolarHBondContact O-N 3.41Å; C199-K204 WeakPolarHBondContact CB-O 3.2Å; C199-K204 PolarHBondContact N-O 3.09Å; C199-F206 HydrophobicContact CB-CE2 4.3Å; C199-L212 HydrophobicContact CB-CD1 3.52Å
200	E	67.4	Low	61.6	Low	181 Å²	181	82 Å²	82	85%	0.846	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.5	-179.6	-69.1	170.1	179.9	0	0	111.7	C202	E200-C202 PolarHBondContact O-N 3.15Å
201	E	62.8	Low	61.9	Low	129 Å²	129	79.5 Å²	79.5	60%	0.603	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-29.5	-178.1	-69.9	168.3	-159.9	0	0	114.7	C199 H219	C199-E201 VanDerWaalsContact C-N 3.31Å; C199-E201 PolarHBondContact O-N 3.21Å; E201-H219 WeakPolarHBondContact OE2-CB 3.48Å; E201-H219 IonicContact OE2-CD2 3.43Å; E201-H219 PolarHBondContact OE2-CD2 2.88Å; E201-H219 IonicContact OE2-CG 2.74Å; E201-H219 IonicContact OE2-NE2 3.8Å
202	C	64.1	Low	62.5	Low	49 Å²	49	77 Å²	77	33%	0.331	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	11.8	-176.9	84	0	0	0	0	114.7	E200 K204 H215	E200-C202 PolarHBondContact O-N 3.15Å; C202-K204 PolarHBondContact O-N 3.09Å; C202-H215 PolarHBondContact SG-NE2 3.19Å
203	G	66	Low	62.8	Low	61 Å²	61	77.3 Å²	77.3	63%	0.629	42%	0.422	S	S	*	.			trans	66.1	4.7	177.3	0	0	0	0	0	116.1	C199 A205	C199-G203 WeakPolarHBondContact O-CA 3.48Å; C199-G203 PolarHBondContact O-N 3.41Å; G203-A205 PolarHBondContact O-N 3.2Å
204	K	61.9	Low	63.3	Low	124 Å²	124	80.1 Å²	80.1	54%	0.539	42%	0.416	S	S	.	.			trans	-76.2	126.7	-176	-77.7	178.2	-176.1	163.8	0	111.5	C199 C202 F206	C199-K204 WeakPolarHBondContact CB-O 3.2Å; C199-K204 PolarHBondContact N-O 3.09Å; C202-K204 PolarHBondContact O-N 3.09Å; K204-F206 HydrophobicContact CB-CE2 3.91Å; K204-F206 HydrophobicContact CB-CZ 3.91Å; K204-F206 WeakPolarHBondContact O-CD2 3.21Å; K204-F206 VanDerWaalsContact O-CE2 3.26Å; K204-F206 WeakPolarHBondContact O-CE2 3.34Å
205	A	65.6	Low	63.8	Low	34 Å²	34	75.8 Å²	75.8	28%	0.281	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141	179.7	0	0	0	0	0	112.4	K195 Y197 K198 G203	K195-A205 HydrophobicContact CB-CB 3.57Å; K195-A205 HydrophobicContact CD-CB 4.04Å; K195-A205 WeakPolarHBondContact CD-O 3.49Å; K195-A205 HydrophobicContact CG-CB 4.47Å; Y197-A205 CarbonylContact O-C 3.56Å; Y197-A205 WeakPolarHBondContact O-CA 3.35Å; K198-A205 HydrophobicContact CG-CB 3.88Å; G203-A205 PolarHBondContact O-N 3.2Å
206	F	69.4	Low	63.9	Low	41 Å²	41	74.3 Å²	74.3	18%	0.18	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.8	-178.5	-56.7	-84.5	0	0	0	111	K195 Y197 C199 K204 Q211 L212 H215	K195-F206 CarbonylContact C-O 3.6Å; K195-F206 VanDerWaalsContact C-O 3.24Å; K195-F206 VanDerWaalsContact CA-O 3.31Å; K195-F206 WeakPolarHBondContact CA-O 3.48Å; Y197-F206 PolarHBondContact N-O 3.5Å; Y197-F206 VanDerWaalsContact N-O 3.1Å; Y197-F206 PolarHBondContact O-N 3.37Å; C199-F206 HydrophobicContact CB-CE2 4.3Å; K204-F206 HydrophobicContact CB-CE2 3.91Å; K204-F206 HydrophobicContact CB-CZ 3.91Å; K204-F206 WeakPolarHBondContact O-CD2 3.21Å; K204-F206 VanDerWaalsContact O-CE2 3.26Å; K204-F206 WeakPolarHBondContact O-CE2 3.34Å; F206-Q211 HydrophobicContact CB-CB 3.96Å; F206-Q211 HydrophobicContact CD1-CB 3.88Å; F206-Q211 HydrophobicContact CG-CB 4.09Å; F206-L212 HydrophobicContact CD2-CB 3.93Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.02Å; F206-L212 HydrophobicContact CG-CB 4.48Å; F206-H215 HydrophobicContact CE1-CB 4.19Å; F206-H215 HydrophobicContact CE2-CB 3.81Å; F206-H215 AromaticContact CE2-CD2 3.46Å; F206-H215 VanDerWaalsContact CE2-CD2 3.46Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.67Å; F206-H215 HydrophobicContact CZ-CB 3.51Å; F206-H215 AromaticContact CZ-CD2 3.44Å; F206-H215 VanDerWaalsContact CZ-CD2 3.44Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.44Å; F206-H215 AromaticContact CZ-CG 3.27Å; F206-H215 AromaticContact CZ-ND1 3.79Å
207	N	54.1	Low	63.9	Low	58 Å²	58	73.2 Å²	73.2	31%	0.31	38%	0.379	S	S	.	.	S	Bend	trans	-85.3	-10.6	179.5	60.1	6.7	0	0	0	113.7
208	Q	62.9	Low	63.7	Low	74 Å²	74	73.8 Å²	73.8	35%	0.346	39%	0.387	S	S	.	.	S	Bend	trans	-138.4	140.6	-180	-64.6	175	17.5	0	0	110.4	Y197 S210 Q211 L212	Y197-Q208 VanDerWaalsContact CD2-C 3.41Å; Q208-S210 VanDerWaalsContact C-N 3.34Å; Q208-S210 PolarHBondContact O-N 2.92Å; Q208-Q211 HydrophobicContact CB-CG 3.78Å; Q208-Q211 WeakPolarHBondContact O-CB 3.17Å; Q208-Q211 PolarHBondContact O-N 2.9Å; Q208-Q211 VanDerWaalsContact O-N 3.14Å; Q208-L212 PolarHBondContact O-N 2.97Å
209	S	57.1	Low	63.7	Low	64 Å²	64	70.4 Å²	70.4	45%	0.448	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-38.8	178.9	54.7	0	0	0	0	112.9	Q211 L212 T213	S209-Q211 PolarHBondContact O-N 3.05Å; S209-Q211 VanDerWaalsContact O-N 3.17Å; S209-L212 WeakPolarHBondContact O-CB 3.36Å; S209-L212 PolarHBondContact O-N 2.97Å; S209-T213 PolarHBondContact O-N 3.42Å; S209-T213 PolarHBondContact O-OG1 3.08Å; S209-T213 VanDerWaalsContact O-OG1 3.11Å
210	S	64.3	Low	63.4	Low	65 Å²	65	73.9 Å²	73.9	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-27.3	176.6	59	0	0	0	0	113.6	Q208 R214	Q208-S210 VanDerWaalsContact C-N 3.34Å; Q208-S210 PolarHBondContact O-N 2.92Å; S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 3.31Å; S210-R214 VanDerWaalsContact O-N 3.12Å
211	Q	63.9	Low	62.7	Low	53 Å²	53	73 Å²	73	25%	0.248	39%	0.391	C	S	.	.	H	α-helix	trans	-75.4	-39.5	176.6	-58.5	-68.7	-24.5	0	0	111	F206 Q208 S209 R214 H215	F206-Q211 HydrophobicContact CB-CB 3.96Å; F206-Q211 HydrophobicContact CD1-CB 3.88Å; F206-Q211 HydrophobicContact CG-CB 4.09Å; Q208-Q211 HydrophobicContact CB-CG 3.78Å; Q208-Q211 WeakPolarHBondContact O-CB 3.17Å; Q208-Q211 PolarHBondContact O-N 2.9Å; Q208-Q211 VanDerWaalsContact O-N 3.14Å; S209-Q211 PolarHBondContact O-N 3.05Å; S209-Q211 VanDerWaalsContact O-N 3.17Å; Q211-R214 PolarHBondContact O-N 3.4Å; Q211-H215 VanDerWaalsContact O-CB 3.27Å; Q211-H215 WeakPolarHBondContact O-CB 3.36Å; Q211-H215 PolarHBondContact O-N 3.28Å
212	L	65	Low	62.5	Low	22 Å²	22	73.1 Å²	73.1	12%	0.115	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-47.1	173.3	174.7	60.5	0	0	0	110.8	K198 C199 F206 Q208 S209 R214 H215 K216	K198-L212 WeakPolarHBondContact O-CD2 3.45Å; C199-L212 HydrophobicContact CB-CD1 3.52Å; F206-L212 HydrophobicContact CD2-CB 3.93Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.02Å; F206-L212 HydrophobicContact CG-CB 4.48Å; Q208-L212 PolarHBondContact O-N 2.97Å; S209-L212 WeakPolarHBondContact O-CB 3.36Å; S209-L212 PolarHBondContact O-N 2.97Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 3.45Å; L212-H215 CarbonylContact O-C 3.58Å; L212-H215 WeakPolarHBondContact O-CA 3.48Å; L212-H215 WeakPolarHBondContact O-CB 3.41Å; L212-H215 PolarHBondContact O-N 2.91Å; L212-K216 HydrophobicContact CD1-CG 4.32Å; L212-K216 WeakPolarHBondContact O-CG 3.39Å; L212-K216 PolarHBondContact O-N 3.35Å
213	T	61.8	Low	62.3	Low	90 Å²	90	76.1 Å²	76.1	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-57	-44.5	176	-50.3	0	0	0	0	111.5	S209 H215 K216	S209-T213 PolarHBondContact O-N 3.42Å; S209-T213 PolarHBondContact O-OG1 3.08Å; S209-T213 VanDerWaalsContact O-OG1 3.11Å; T213-H215 VanDerWaalsContact C-N 3.3Å; T213-H215 PolarHBondContact O-N 3.28Å; T213-K216 PolarHBondContact O-N 3.2Å
214	R	62.9	Low	62.2	Low	108 Å²	108	77.2 Å²	77.2	41%	0.408	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-33.6	175	-179.5	169.9	65.8	-179.8	7.6	113.2	S210 Q211 L212	S210-R214 WeakPolarHBondContact O-CB 3.46Å; S210-R214 PolarHBondContact O-N 3.31Å; S210-R214 VanDerWaalsContact O-N 3.12Å; Q211-R214 PolarHBondContact O-N 3.4Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 3.45Å
215	H	69.3	Low	62.3	Low	17 Å²	17	73.2 Å²	73.2	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-71.1	-37	178.2	179.8	61.6	0	0	0	112	C202 F206 Q211 L212 T213 I217 I218 H219	C202-H215 PolarHBondContact SG-NE2 3.19Å; F206-H215 HydrophobicContact CE1-CB 4.19Å; F206-H215 HydrophobicContact CE2-CB 3.81Å; F206-H215 AromaticContact CE2-CD2 3.46Å; F206-H215 VanDerWaalsContact CE2-CD2 3.46Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.67Å; F206-H215 HydrophobicContact CZ-CB 3.51Å; F206-H215 AromaticContact CZ-CD2 3.44Å; F206-H215 VanDerWaalsContact CZ-CD2 3.44Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.44Å; F206-H215 AromaticContact CZ-CG 3.27Å; F206-H215 AromaticContact CZ-ND1 3.79Å; Q211-H215 VanDerWaalsContact O-CB 3.27Å; Q211-H215 WeakPolarHBondContact O-CB 3.36Å; Q211-H215 PolarHBondContact O-N 3.28Å; L212-H215 CarbonylContact O-C 3.58Å; L212-H215 WeakPolarHBondContact O-CA 3.48Å; L212-H215 WeakPolarHBondContact O-CB 3.41Å; L212-H215 PolarHBondContact O-N 2.91Å; T213-H215 VanDerWaalsContact C-N 3.3Å; T213-H215 PolarHBondContact O-N 3.28Å; H215-I217 VanDerWaalsContact C-N 3.26Å; H215-I217 PolarHBondContact O-N 3.05Å; H215-I218 WeakPolarHBondContact O-CB 3.24Å; H215-I218 WeakPolarHBondContact O-CG1 3.2Å; H215-I218 PolarHBondContact O-N 3.32Å; H215-H219 AromaticContact NE2-NE2 3.5Å; H215-H219 PolarHBondContact NE2-NE2 3.09Å
216	K	65.4	Low	62.3	Low	92 Å²	92	78.6 Å²	78.6	40%	0.4	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-34.4	175.3	-70.4	-172.6	175.4	-162.5	0	112.7	L212 T213 I218 H219 T220	L212-K216 HydrophobicContact CD1-CG 4.32Å; L212-K216 WeakPolarHBondContact O-CG 3.39Å; L212-K216 PolarHBondContact O-N 3.35Å; T213-K216 PolarHBondContact O-N 3.2Å; K216-I218 PolarHBondContact O-N 3.15Å; K216-I218 VanDerWaalsContact O-N 3.08Å; K216-H219 PolarHBondContact O-N 3.21Å; K216-T220 PolarHBondContact O-N 3.22Å
217	I	64.1	Low	62.1	Low	48 Å²	48	76.8 Å²	76.8	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-15.3	173.7	-57	168.3	0	0	0	112.6	H215 K235	H215-I217 VanDerWaalsContact C-N 3.26Å; H215-I217 PolarHBondContact O-N 3.05Å; I217-K235 HydrophobicContact CG2-CB 4.43Å
218	I	60.4	Low	62.7	Low	93 Å²	93	82.2 Å²	82.2	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-74.5	-36.2	174.9	-59.4	179.2	0	0	0	110.8	H215 K216	H215-I218 WeakPolarHBondContact O-CB 3.24Å; H215-I218 WeakPolarHBondContact O-CG1 3.2Å; H215-I218 PolarHBondContact O-N 3.32Å; K216-I218 PolarHBondContact O-N 3.15Å; K216-I218 VanDerWaalsContact O-N 3.08Å
219	H	63.7	Low	62.7	Low	74 Å²	74	85 Å²	85	34%	0.343	43%	0.425	S	S	.	.	H	α-helix	trans	-77.5	-29	-177	-62	-52.3	0	0	0	112.7	E201 H215 K216 E221	E201-H219 WeakPolarHBondContact OE2-CB 3.48Å; E201-H219 IonicContact OE2-CD2 3.43Å; E201-H219 PolarHBondContact OE2-CD2 2.88Å; E201-H219 IonicContact OE2-CG 2.74Å; E201-H219 IonicContact OE2-NE2 3.8Å; H215-H219 AromaticContact NE2-NE2 3.5Å; H215-H219 PolarHBondContact NE2-NE2 3.09Å; K216-H219 PolarHBondContact O-N 3.21Å; H219-E221 VanDerWaalsContact C-N 3.32Å; H219-E221 PolarHBondContact O-N 2.86Å
220	T	59.2	Low	62.9	Low	74 Å²	74	84.4 Å²	84.4	45%	0.454	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.1	-178.6	60.6	0	0	0	0	114.4	K216 E222	K216-T220 PolarHBondContact O-N 3.22Å; T220-E222 WeakPolarHBondContact O-CG 2.91Å; T220-E222 PolarHBondContact O-N 3.21Å
221	E	53.6	Low	62.8	Low	164 Å²	164	84 Å²	84	77%	0.766	43%	0.426	S	S	*	.			trans	51.6	-7.1	-169.4	-65.2	-152.7	148.7	0	0	117	H219 K223	H219-E221 VanDerWaalsContact C-N 3.32Å; H219-E221 PolarHBondContact O-N 2.86Å; E221-K223 PolarHBondContact O-N 3.43Å
222	E	57.6	Low	62.8	Low	130 Å²	130	87.3 Å²	87.3	61%	0.607	44%	0.44	S	S	*	.			trans	-61	131.6	-177.4	-70.9	-177.9	157.8	0	0	111.9	T220 P224	T220-E222 WeakPolarHBondContact O-CG 2.91Å; T220-E222 PolarHBondContact O-N 3.21Å; E222-P224 WeakPolarHBondContact O-CD 3.38Å
223	K	61	Low	62.8	Low	112 Å²	112	87.8 Å²	87.8	49%	0.487	45%	0.447	S	S	.	.			trans	-113.1	77	173.2	-67.7	172.7	-175.4	171.8	0	108.1	E221 N225 A233 F234 K235	E221-K223 PolarHBondContact O-N 3.43Å; K223-N225 PolarHBondContact O-N 3.45Å; K223-N225 VanDerWaalsContact O-N 3.1Å; K223-A233 HydrophobicContact CB-CB 3.43Å; K223-A233 VanDerWaalsContact CB-CB 3.43Å; K223-A233 HydrophobicContact CD-CB 3.91Å; K223-A233 WeakPolarHBondContact CD-O 2.99Å; K223-A233 HydrophobicContact CG-CB 4.32Å; K223-F234 CarbonylContact C-O 3.55Å; K223-K235 HydrophobicContact CG-CG 3.9Å
224	P	62	Low	63.2	Low	84 Å²	84	85.6 Å²	85.6	55%	0.545	43%	0.43	S	S	.	.			trans	-66.4	-17.3	-167.7	22.1	-32.1	0	0	0	113.9	E222	E222-P224 WeakPolarHBondContact O-CD 3.38Å
225	N	65.6	Low	63.3	Low	40 Å²	40	84 Å²	84	21%	0.214	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	92	-176.4	-52.8	-86.6	0	0	0	109.9	K223 A233 F234 A237 L240	K223-N225 PolarHBondContact O-N 3.45Å; K223-N225 VanDerWaalsContact O-N 3.1Å; N225-A233 CarbonylContact O-C 3.58Å; N225-F234 HydrophobicContact CB-CB 4.36Å; N225-F234 WeakPolarHBondContact CB-O 3.41Å; N225-F234 PolarHBondContact N-O 3.03Å; N225-F234 VanDerWaalsContact N-O 3.13Å; N225-F234 PolarHBondContact ND2-O 2.79Å; N225-F234 PolarHBondContact O-N 2.84Å; N225-A237 PolarHBondContact ND2-N 3.12Å; N225-A237 WeakPolarHBondContact OD1-CA 3.19Å; N225-A237 WeakPolarHBondContact OD1-CB 3.33Å; N225-L240 HydrophobicContact CB-CB 4.02Å; N225-L240 HydrophobicContact CB-CD2 3.79Å
226	K	66.1	Low	63	Low	148 Å²	148	85.9 Å²	85.9	64%	0.643	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.8	178.2	-65.8	-179.5	-179	177	0	111.6	A233 L240	K226-A233 HydrophobicContact CG-CB 3.77Å; K226-L240 WeakPolarHBondContact O-CD2 3.35Å
227	C	64.3	Low	62.9	Low	2 Å²	2	84.1 Å²	84.1	1%	0.014	44%	0.438	C	S	.	.			trans	-83.7	117.2	170.7	-180	0	0	0	0	109	E229 G231 K232 F234 L240	C227-E229 VanDerWaalsContact C-N 3.27Å; C227-E229 PolarHBondContact O-N 2.8Å; C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.15Å; C227-G231 PolarHBondContact O-N 3.09Å; C227-K232 WeakPolarHBondContact CB-O 3.49Å; C227-K232 PolarHBondContact N-O 3.35Å; C227-F234 HydrophobicContact CB-CE2 4.36Å; C227-L240 HydrophobicContact CB-CD1 3.52Å
228	E	66.1	Low	62.8	Low	173 Å²	173	84.6 Å²	84.6	81%	0.808	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.3	-179.5	-68.6	155.4	157	0	0	112.2	K244	E228-K244 IonicContact OE2-NZ 2.93Å
229	E	62.4	Low	63.1	Low	132 Å²	132	84.4 Å²	84.4	62%	0.617	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-25.5	-176.6	-68.8	171.3	165.5	0	0	114.7	C227 H247	C227-E229 VanDerWaalsContact C-N 3.27Å; C227-E229 PolarHBondContact O-N 2.8Å; E229-H247 WeakPolarHBondContact OE2-CB 3.41Å; E229-H247 IonicContact OE2-CD2 3.05Å; E229-H247 PolarHBondContact OE2-CD2 3.34Å; E229-H247 IonicContact OE2-CG 3.19Å
230	C	63.3	Low	63.4	Low	51 Å²	51	81.9 Å²	81.9	35%	0.345	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	9.9	-176.3	74.2	0	0	0	0	114.6	K232 H243 H247	C230-K232 PolarHBondContact O-N 3.18Å; C230-H243 PolarHBondContact SG-NE2 2.97Å; C230-H247 PolarHBondContact SG-NE2 3.32Å
231	G	62	Low	63.6	Low	57 Å²	57	82.6 Å²	82.6	59%	0.588	44%	0.435	S	S	*	.			trans	68.5	-3.1	178.2	0	0	0	0	0	115.8	C227 A233	C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.15Å; C227-G231 PolarHBondContact O-N 3.09Å; G231-A233 PolarHBondContact O-N 3.01Å
232	K	62.6	Low	63.9	Low	123 Å²	123	77.9 Å²	77.9	54%	0.535	42%	0.415	S	S	.	.			trans	-69.3	126.1	-175.7	-74.2	178.8	-178.3	168.1	0	111.8	C227 C230 F234	C227-K232 WeakPolarHBondContact CB-O 3.49Å; C227-K232 PolarHBondContact N-O 3.35Å; C230-K232 PolarHBondContact O-N 3.18Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 3.92Å; K232-F234 WeakPolarHBondContact O-CD2 3.22Å; K232-F234 VanDerWaalsContact O-CE2 3.24Å; K232-F234 WeakPolarHBondContact O-CE2 3.4Å
233	A	65.8	Low	64.4	Low	32 Å²	32	72.6 Å²	72.6	26%	0.264	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.9	-178	0	0	0	0	0	112.2	K223 N225 K226 G231	K223-A233 HydrophobicContact CB-CB 3.43Å; K223-A233 VanDerWaalsContact CB-CB 3.43Å; K223-A233 HydrophobicContact CD-CB 3.91Å; K223-A233 WeakPolarHBondContact CD-O 2.99Å; K223-A233 HydrophobicContact CG-CB 4.32Å; N225-A233 CarbonylContact O-C 3.58Å; K226-A233 HydrophobicContact CG-CB 3.77Å; G231-A233 PolarHBondContact O-N 3.01Å
234	F	70.5	Confident	64.5	Low	43 Å²	43	71 Å²	71	19%	0.189	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142	-177.2	-57.8	-88	0	0	0	111.6	K223 N225 C227 K232 Q236 H239 L240 H243	K223-F234 CarbonylContact C-O 3.55Å; N225-F234 HydrophobicContact CB-CB 4.36Å; N225-F234 WeakPolarHBondContact CB-O 3.41Å; N225-F234 PolarHBondContact N-O 3.03Å; N225-F234 VanDerWaalsContact N-O 3.13Å; N225-F234 PolarHBondContact ND2-O 2.79Å; N225-F234 PolarHBondContact O-N 2.84Å; C227-F234 HydrophobicContact CB-CE2 4.36Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 3.92Å; K232-F234 WeakPolarHBondContact O-CD2 3.22Å; K232-F234 VanDerWaalsContact O-CE2 3.24Å; K232-F234 WeakPolarHBondContact O-CE2 3.4Å; F234-Q236 PolarHBondContact O-N 3.32Å; F234-H239 HydrophobicContact CB-CB 4.22Å; F234-H239 HydrophobicContact CD1-CB 3.93Å; F234-H239 HydrophobicContact CG-CB 4.28Å; F234-L240 HydrophobicContact CB-CB 4.37Å; F234-L240 HydrophobicContact CD2-CB 3.86Å; F234-L240 HydrophobicContact CD2-CD1 3.8Å; F234-L240 HydrophobicContact CD2-CG 4.43Å; F234-L240 HydrophobicContact CE2-CD1 3.94Å; F234-L240 HydrophobicContact CG-CB 4.33Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 3.83Å; F234-H243 AromaticContact CE2-CD2 3.39Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.49Å; F234-H243 AromaticContact CE2-CG 3.63Å; F234-H243 HydrophobicContact CZ-CB 3.49Å; F234-H243 VanDerWaalsContact CZ-CB 3.49Å; F234-H243 AromaticContact CZ-CD2 3.43Å; F234-H243 VanDerWaalsContact CZ-CD2 3.43Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.29Å; F234-H243 AromaticContact CZ-CG 3.24Å; F234-H243 AromaticContact CZ-ND1 3.77Å; F234-H243 AromaticContact CZ-NE2 3.99Å
235	K	64.7	Low	64.6	Low	76 Å²	76	68.4 Å²	68.4	33%	0.33	36%	0.364	S	S	.	.	S	Bend	trans	-71.6	-15.3	175.3	-60.5	-165.6	176.9	-156.6	0	113.4	I217 K223	I217-K235 HydrophobicContact CG2-CB 4.43Å; K223-K235 HydrophobicContact CG-CG 3.9Å
236	Q	62.8	Low	64.2	Low	56 Å²	56	72.2 Å²	72.2	26%	0.262	38%	0.383	S	S	.	.	S	Bend	trans	-135.2	136.9	-179.1	-63	180	41.9	0	0	110.6	F234 S238 H239 L240	F234-Q236 PolarHBondContact O-N 3.32Å; Q236-S238 VanDerWaalsContact C-N 3.27Å; Q236-S238 PolarHBondContact O-N 3.31Å; Q236-H239 PolarHBondContact O-N 3.48Å; Q236-H239 VanDerWaalsContact O-N 3.14Å; Q236-L240 PolarHBondContact O-N 3.28Å
237	A	63.6	Low	63.9	Low	55 Å²	55	69 Å²	69	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-37.1	176.9	0	0	0	0	0	112.3	N225 H239 L240 T241	N225-A237 PolarHBondContact ND2-N 3.12Å; N225-A237 WeakPolarHBondContact OD1-CA 3.19Å; N225-A237 WeakPolarHBondContact OD1-CB 3.33Å; A237-H239 VanDerWaalsContact C-N 3.29Å; A237-H239 PolarHBondContact O-N 2.85Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.43Å; A237-L240 VanDerWaalsContact O-N 3.12Å; A237-T241 PolarHBondContact O-N 3.16Å; A237-T241 PolarHBondContact O-OG1 2.89Å
238	S	62.3	Low	63.8	Low	58 Å²	58	72.4 Å²	72.4	41%	0.406	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-35.3	176.7	55.2	0	0	0	0	113.3	Q236 T241 I242	Q236-S238 VanDerWaalsContact C-N 3.27Å; Q236-S238 PolarHBondContact O-N 3.31Å; S238-T241 PolarHBondContact O-N 3.46Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.48Å; S238-I242 PolarHBondContact O-N 2.87Å
239	H	66.8	Low	63.3	Low	89 Å²	89	66.9 Å²	66.9	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-73	-36.3	176.1	-62.7	164.8	0	0	0	111.6	F234 Q236 A237 I242 H243	F234-H239 HydrophobicContact CB-CB 4.22Å; F234-H239 HydrophobicContact CD1-CB 3.93Å; F234-H239 HydrophobicContact CG-CB 4.28Å; Q236-H239 PolarHBondContact O-N 3.48Å; Q236-H239 VanDerWaalsContact O-N 3.14Å; A237-H239 VanDerWaalsContact C-N 3.29Å; A237-H239 PolarHBondContact O-N 2.85Å; H239-I242 PolarHBondContact O-N 3.41Å; H239-H243 VanDerWaalsContact O-CB 3.22Å; H239-H243 WeakPolarHBondContact O-CB 3.49Å; H239-H243 PolarHBondContact O-N 3.03Å
240	L	68.6	Low	63.1	Low	21 Å²	21	66.6 Å²	66.6	11%	0.11	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-44	171.2	174.5	62	0	0	0	110.9	N225 K226 C227 F234 Q236 A237 I242 H243 K244	N225-L240 HydrophobicContact CB-CB 4.02Å; N225-L240 HydrophobicContact CB-CD2 3.79Å; K226-L240 WeakPolarHBondContact O-CD2 3.35Å; C227-L240 HydrophobicContact CB-CD1 3.52Å; F234-L240 HydrophobicContact CB-CB 4.37Å; F234-L240 HydrophobicContact CD2-CB 3.86Å; F234-L240 HydrophobicContact CD2-CD1 3.8Å; F234-L240 HydrophobicContact CD2-CG 4.43Å; F234-L240 HydrophobicContact CE2-CD1 3.94Å; F234-L240 HydrophobicContact CG-CB 4.33Å; Q236-L240 PolarHBondContact O-N 3.28Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.43Å; A237-L240 VanDerWaalsContact O-N 3.12Å; L240-I242 PolarHBondContact O-N 3.3Å; L240-H243 CarbonylContact O-C 3.34Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.19Å; L240-H243 VanDerWaalsContact O-N 3.12Å; L240-K244 HydrophobicContact CD1-CG 4.18Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.47Å
241	T	63.2	Low	62.8	Low	89 Å²	89	70.1 Å²	70.1	55%	0.546	39%	0.389	S	S	.	.	H	α-helix	trans	-60.1	-44.6	176.2	-50.3	0	0	0	0	111.7	A237 S238 H243 K244 I245	A237-T241 PolarHBondContact O-N 3.16Å; A237-T241 PolarHBondContact O-OG1 2.89Å; S238-T241 PolarHBondContact O-N 3.46Å; T241-H243 VanDerWaalsContact C-N 3.29Å; T241-H243 PolarHBondContact O-N 3.27Å; T241-K244 PolarHBondContact O-N 3.28Å; T241-I245 WeakPolarHBondContact O-CG1 3.43Å; T241-I245 PolarHBondContact O-N 2.89Å
242	I	60.5	Low	62.6	Low	64 Å²	64	70.8 Å²	70.8	33%	0.328	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-36.1	175.2	-67.9	165.2	0	0	0	111.2	S238 H239 L240 I245 Q264	S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.48Å; S238-I242 PolarHBondContact O-N 2.87Å; H239-I242 PolarHBondContact O-N 3.41Å; L240-I242 PolarHBondContact O-N 3.3Å; I242-I245 WeakPolarHBondContact O-CB 3.45Å; I242-I245 PolarHBondContact O-N 3.24Å; I242-Q264 HydrophobicContact CG2-CG 4.27Å
243	H	67.4	Low	62.3	Low	19 Å²	19	69.2 Å²	69.2	9%	0.088	37%	0.374	C	S	.	.	H	α-helix	trans	-70.1	-39.1	178.6	177.5	64.3	0	0	0	112.5	C230 F234 H239 L240 T241 I245 I246 H247	C230-H243 PolarHBondContact SG-NE2 2.97Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 3.83Å; F234-H243 AromaticContact CE2-CD2 3.39Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.49Å; F234-H243 AromaticContact CE2-CG 3.63Å; F234-H243 HydrophobicContact CZ-CB 3.49Å; F234-H243 VanDerWaalsContact CZ-CB 3.49Å; F234-H243 AromaticContact CZ-CD2 3.43Å; F234-H243 VanDerWaalsContact CZ-CD2 3.43Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.29Å; F234-H243 AromaticContact CZ-CG 3.24Å; F234-H243 AromaticContact CZ-ND1 3.77Å; F234-H243 AromaticContact CZ-NE2 3.99Å; H239-H243 VanDerWaalsContact O-CB 3.22Å; H239-H243 WeakPolarHBondContact O-CB 3.49Å; H239-H243 PolarHBondContact O-N 3.03Å; L240-H243 CarbonylContact O-C 3.34Å; L240-H243 WeakPolarHBondContact O-CB 3.48Å; L240-H243 PolarHBondContact O-N 3.19Å; L240-H243 VanDerWaalsContact O-N 3.12Å; T241-H243 VanDerWaalsContact C-N 3.29Å; T241-H243 PolarHBondContact O-N 3.27Å; H243-I245 PolarHBondContact O-N 3.16Å; H243-I246 VanDerWaalsContact O-CB 3.24Å; H243-I246 WeakPolarHBondContact O-CB 3.34Å; H243-I246 PolarHBondContact O-N 2.92Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.79Å; H243-H247 AromaticContact NE2-NE2 3.29Å; H243-H247 PolarHBondContact NE2-NE2 3.04Å
244	K	63.7	Low	61.5	Low	80 Å²	80	73.8 Å²	73.8	35%	0.348	39%	0.388	S	S	.	.	H	α-helix	trans	-59.8	-30.9	175	-73.4	-171.5	173.8	-159.7	0	112.3	E228 L240 T241 I246 H247 T248	E228-K244 IonicContact OE2-NZ 2.93Å; L240-K244 HydrophobicContact CD1-CG 4.18Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.47Å; T241-K244 PolarHBondContact O-N 3.28Å; K244-I246 PolarHBondContact O-N 3.37Å; K244-H247 PolarHBondContact O-N 3.42Å; K244-H247 VanDerWaalsContact O-N 3.12Å; K244-T248 PolarHBondContact O-N 3.35Å
245	I	64	Low	60.7	Low	29 Å²	29	72.7 Å²	72.7	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-22.4	174.1	-62.9	169.9	0	0	0	112.4	T241 I242 H243 G249 E250 P252	T241-I245 WeakPolarHBondContact O-CG1 3.43Å; T241-I245 PolarHBondContact O-N 2.89Å; I242-I245 WeakPolarHBondContact O-CB 3.45Å; I242-I245 PolarHBondContact O-N 3.24Å; H243-I245 PolarHBondContact O-N 3.16Å; I245-G249 PolarHBondContact O-N 3.28Å; I245-G249 VanDerWaalsContact O-N 3.1Å; I245-E250 WeakPolarHBondContact CG2-O 3.45Å; I245-P252 HydrophobicContact CD1-CG 4.45Å
246	I	58.7	Low	60.1	Low	119 Å²	119	77.5 Å²	77.5	61%	0.61	41%	0.406	S	S	*	.	H	α-helix	trans	-71.3	-35.8	175.8	-58.6	176.2	0	0	0	110.9	H243 K244	H243-I246 VanDerWaalsContact O-CB 3.24Å; H243-I246 WeakPolarHBondContact O-CB 3.34Å; H243-I246 PolarHBondContact O-N 2.92Å; K244-I246 PolarHBondContact O-N 3.37Å
247	H	59.9	Low	59.6	Low	81 Å²	81	81.3 Å²	81.3	38%	0.375	42%	0.424	S	S	.	.	H	α-helix	trans	-76.6	-37.9	179.6	-61.7	-52.8	0	0	0	112	E229 C230 H243 K244	E229-H247 WeakPolarHBondContact OE2-CB 3.41Å; E229-H247 IonicContact OE2-CD2 3.05Å; E229-H247 PolarHBondContact OE2-CD2 3.34Å; E229-H247 IonicContact OE2-CG 3.19Å; C230-H247 PolarHBondContact SG-NE2 3.32Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.79Å; H243-H247 AromaticContact NE2-NE2 3.29Å; H243-H247 PolarHBondContact NE2-NE2 3.04Å; K244-H247 PolarHBondContact O-N 3.42Å; K244-H247 VanDerWaalsContact O-N 3.12Å
248	T	60.8	Low	58.8	Low	74 Å²	74	80.8 Å²	80.8	45%	0.454	42%	0.416	S	S	.	.	H	α-helix	trans	-80.1	-16.4	178.2	65.3	0	0	0	0	113.6	K244 E250	K244-T248 PolarHBondContact O-N 3.35Å; T248-E250 PolarHBondContact O-N 2.95Å
249	G	55.2	Low	58.3	Low	56 Å²	56	80.1 Å²	80.1	58%	0.577	42%	0.419	S	S	*	.			trans	66.4	0.8	-176.9	0	0	0	0	0	114.6	I245	I245-G249 PolarHBondContact O-N 3.28Å; I245-G249 VanDerWaalsContact O-N 3.1Å
250	E	58.6	Low	57.5	Low	126 Å²	126	81 Å²	81	59%	0.589	42%	0.422	S	S	*	.			trans	-68.8	139.5	-174.5	-68.3	-176.1	159.4	0	0	111.4	I245 T248 P252	I245-E250 WeakPolarHBondContact CG2-O 3.45Å; T248-E250 PolarHBondContact O-N 2.95Å; E250-P252 WeakPolarHBondContact O-CD 3.28Å
251	K	57.8	Low	56.6	Low	126 Å²	126	83.1 Å²	83.1	55%	0.548	44%	0.435	S	S	.	.			trans	-114.6	74.7	172.1	-66.5	177.1	-174	167.3	0	109	Y253 V261 F262	K251-Y253 PolarHBondContact O-N 3.2Å; K251-V261 HydrophobicContact CB-CB 3.76Å; K251-V261 HydrophobicContact CB-CG2 3.96Å; K251-V261 HydrophobicContact CD-CB 4.3Å; K251-V261 HydrophobicContact CD-CG2 3.64Å; K251-V261 HydrophobicContact CG-CG2 4.46Å; K251-F262 CarbonylContact C-O 3.36Å
252	P	57.2	Low	56.5	Low	71 Å²	71	80.8 Å²	80.8	46%	0.461	42%	0.418	S	S	.	.			trans	-67.8	-11.8	-165.8	23.9	-33.1	0	0	0	114.3	I245 E250	I245-P252 HydrophobicContact CD1-CG 4.45Å; E250-P252 WeakPolarHBondContact O-CD 3.28Å
253	Y	56.4	Low	56	Low	89 Å²	89	80.1 Å²	80.1	35%	0.349	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	91.2	-176.3	-57.4	-70.6	0	0	0	111.1	K251 V261 F262 Q264	K251-Y253 PolarHBondContact O-N 3.2Å; Y253-V261 CarbonylContact O-C 3.58Å; Y253-F262 WeakPolarHBondContact CB-O 3.2Å; Y253-F262 PolarHBondContact N-O 2.78Å; Y253-F262 VanDerWaalsContact N-O 3.14Å; Y253-F262 PolarHBondContact O-N 3.1Å; Y253-Q264 VanDerWaalsContact CD2-C 3.46Å
254	K	49.1	Very low	55.5	Low	129 Å²	129	82 Å²	82	56%	0.561	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.8	176.8	-170.3	174.5	178.6	-175.9	0	111.6	V261	K254-V261 HydrophobicContact CB-CG1 3.93Å; K254-V261 HydrophobicContact CD-CG1 4.32Å; K254-V261 HydrophobicContact CG-CG1 3.81Å
255	Y	54.2	Low	54.9	Low	19 Å²	19	81 Å²	81	8%	0.075	43%	0.431	C	S	.	.			trans	-95.9	109.3	165.6	-171.1	-114.6	0	0	0	109.3	E257 C258 G259 K260 L268 K272 H275	Y255-E257 VanDerWaalsContact C-N 3.29Å; Y255-E257 HydrophobicContact CD1-CB 3.93Å; Y255-E257 HydrophobicContact CE1-CB 3.32Å; Y255-E257 HydrophobicContact CE2-CB 4.39Å; Y255-E257 PolarHBondContact O-N 3.2Å; Y255-E257 PolarHBondContact OH-OE2 3.32Å; Y255-C258 HydrophobicContact CD1-CB 3.97Å; Y255-C258 WeakPolarHBondContact CD1-SG 3.43Å; Y255-C258 HydrophobicContact CE1-CB 4.25Å; Y255-C258 PolarHBondContact O-N 3.42Å; Y255-G259 WeakPolarHBondContact O-CA 3.37Å; Y255-G259 PolarHBondContact O-N 3.15Å; Y255-K260 PolarHBondContact N-O 3.22Å; Y255-L268 HydrophobicContact CD2-CD1 4Å; Y255-L268 HydrophobicContact CG-CD1 4.2Å; Y255-K272 HydrophobicContact CD2-CD 4.26Å; Y255-K272 HydrophobicContact CD2-CG 3.56Å; Y255-K272 HydrophobicContact CE2-CB 4.39Å; Y255-K272 HydrophobicContact CE2-CD 4.27Å; Y255-K272 HydrophobicContact CE2-CG 3.4Å; Y255-H275 HydrophobicContact CE1-CB 4.15Å; Y255-H275 AromaticContact CE1-CG 3.8Å; Y255-H275 AromaticContact CE1-ND1 3.91Å; Y255-H275 WeakPolarHBondContact OH-CB 3.37Å; Y255-H275 PolarHBondContact OH-ND1 2.71Å
256	E	51.9	Low	54.2	Low	177 Å²	177	82.4 Å²	82.4	83%	0.827	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.8	-171.9	-64.5	-166.9	165.4	0	0	113.5
257	E	52.1	Low	54.2	Low	136 Å²	136	81.1 Å²	81.1	64%	0.636	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-26	-176.4	-127	179.7	-156.3	0	0	114.6	Y255 H275	Y255-E257 VanDerWaalsContact C-N 3.29Å; Y255-E257 HydrophobicContact CD1-CB 3.93Å; Y255-E257 HydrophobicContact CE1-CB 3.32Å; Y255-E257 HydrophobicContact CE2-CB 4.39Å; Y255-E257 PolarHBondContact O-N 3.2Å; Y255-E257 PolarHBondContact OH-OE2 3.32Å; E257-H275 IonicContact OE2-CE1 3.16Å; E257-H275 PolarHBondContact OE2-CE1 3.01Å; E257-H275 IonicContact OE2-ND1 3.02Å; E257-H275 PolarHBondContact OE2-ND1 2.98Å
258	C	46.7	Very low	53.9	Low	44 Å²	44	78 Å²	78	30%	0.297	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	10.5	178.6	81.5	0	0	0	0	114.4	Y255 K260	Y255-C258 HydrophobicContact CD1-CB 3.97Å; Y255-C258 WeakPolarHBondContact CD1-SG 3.43Å; Y255-C258 HydrophobicContact CE1-CB 4.25Å; Y255-C258 PolarHBondContact O-N 3.42Å; C258-K260 PolarHBondContact O-N 3.44Å
259	G	50.9	Low	53.5	Low	45 Å²	45	78.2 Å²	78.2	46%	0.464	42%	0.422	S	S	.	.			trans	67.4	-0.4	176.2	0	0	0	0	0	116	Y255	Y255-G259 WeakPolarHBondContact O-CA 3.37Å; Y255-G259 PolarHBondContact O-N 3.15Å
260	K	51.1	Low	53.5	Low	108 Å²	108	78.3 Å²	78.3	47%	0.47	41%	0.411	S	S	.	.			trans	-74.6	133.7	-176.2	-68.9	-178.5	-173.7	174	0	111.9	Y255 C258 F262	Y255-K260 PolarHBondContact N-O 3.22Å; C258-K260 PolarHBondContact O-N 3.44Å; K260-F262 HydrophobicContact CB-CE2 3.88Å; K260-F262 HydrophobicContact CB-CZ 3.86Å; K260-F262 HydrophobicContact CD-CZ 4.49Å
261	V	49.8	Very low	53.4	Low	65 Å²	65	74.1 Å²	74.1	39%	0.394	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.5	-179.8	-70	0	0	0	0	111.5	K251 Y253 K254	K251-V261 HydrophobicContact CB-CB 3.76Å; K251-V261 HydrophobicContact CB-CG2 3.96Å; K251-V261 HydrophobicContact CD-CB 4.3Å; K251-V261 HydrophobicContact CD-CG2 3.64Å; K251-V261 HydrophobicContact CG-CG2 4.46Å; Y253-V261 CarbonylContact O-C 3.58Å; K254-V261 HydrophobicContact CB-CG1 3.93Å; K254-V261 HydrophobicContact CD-CG1 4.32Å; K254-V261 HydrophobicContact CG-CG1 3.81Å
262	F	61.7	Low	53.3	Low	39 Å²	39	72.6 Å²	72.6	17%	0.171	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.7	-175.5	-56.9	-82.7	0	0	0	111.4	K251 Y253 K260 H267 L268 Q271	K251-F262 CarbonylContact C-O 3.36Å; Y253-F262 WeakPolarHBondContact CB-O 3.2Å; Y253-F262 PolarHBondContact N-O 2.78Å; Y253-F262 VanDerWaalsContact N-O 3.14Å; Y253-F262 PolarHBondContact O-N 3.1Å; K260-F262 HydrophobicContact CB-CE2 3.88Å; K260-F262 HydrophobicContact CB-CZ 3.86Å; K260-F262 HydrophobicContact CD-CZ 4.49Å; F262-H267 HydrophobicContact CB-CB 4.31Å; F262-H267 HydrophobicContact CD1-CB 3.9Å; F262-H267 HydrophobicContact CG-CB 4.24Å; F262-L268 HydrophobicContact CD2-CB 3.97Å; F262-L268 HydrophobicContact CD2-CD1 3.92Å; F262-L268 HydrophobicContact CE2-CD1 4.09Å; F262-Q271 HydrophobicContact CE2-CB 3.97Å; F262-Q271 HydrophobicContact CE2-CG 4.04Å; F262-Q271 HydrophobicContact CZ-CB 3.71Å; F262-Q271 HydrophobicContact CZ-CG 3.67Å
263	S	48.9	Very low	53.3	Low	50 Å²	50	70.8 Å²	70.8	35%	0.35	37%	0.371	S	S	.	.	S	Bend	trans	-82.4	-14.4	174.3	53.9	0	0	0	0	113.5
264	Q	56.3	Low	53.1	Low	59 Å²	59	72.1 Å²	72.1	28%	0.276	38%	0.383	S	S	.	.	S	Bend	trans	-133.1	138.4	-179.9	-61.4	-178.8	15	0	0	111.4	I242 Y253 S266 H267 L268	I242-Q264 HydrophobicContact CG2-CG 4.27Å; Y253-Q264 VanDerWaalsContact CD2-C 3.46Å; Q264-S266 VanDerWaalsContact C-N 3.3Å; Q264-S266 PolarHBondContact O-N 3.1Å; Q264-H267 PolarHBondContact O-N 3.05Å; Q264-L268 PolarHBondContact O-N 3.37Å
265	S	51.2	Low	53.2	Low	60 Å²	60	70.4 Å²	70.4	42%	0.42	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-32.8	179.3	59.8	0	0	0	0	113	H267 L268 T269	S265-H267 VanDerWaalsContact C-N 3.31Å; S265-H267 PolarHBondContact O-N 3.14Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 2.89Å; S265-T269 PolarHBondContact O-N 2.89Å; S265-T269 PolarHBondContact O-OG1 3.43Å
266	S	50.3	Low	53.1	Low	58 Å²	58	73.4 Å²	73.4	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-36.9	175.8	54.7	0	0	0	0	113	Q264 T270	Q264-S266 VanDerWaalsContact C-N 3.3Å; Q264-S266 PolarHBondContact O-N 3.1Å; S266-T270 WeakPolarHBondContact O-CB 3.38Å; S266-T270 PolarHBondContact O-N 3.14Å; S266-T270 PolarHBondContact O-OG1 3.38Å
267	H	57.9	Low	53	Low	91 Å²	91	67.8 Å²	67.8	42%	0.421	39%	0.387	S	S	.	.	H	α-helix	trans	-72.3	-39.2	176	-62.8	155.2	0	0	0	111.4	F262 Q264 S265 T270 Q271	F262-H267 HydrophobicContact CB-CB 4.31Å; F262-H267 HydrophobicContact CD1-CB 3.9Å; F262-H267 HydrophobicContact CG-CB 4.24Å; Q264-H267 PolarHBondContact O-N 3.05Å; S265-H267 VanDerWaalsContact C-N 3.31Å; S265-H267 PolarHBondContact O-N 3.14Å; H267-T270 PolarHBondContact O-N 2.79Å; H267-Q271 WeakPolarHBondContact O-CB 3.31Å; H267-Q271 PolarHBondContact O-N 2.97Å
268	L	53.3	Low	52.9	Low	16 Å²	16	67.6 Å²	67.6	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-44.4	171.7	176.7	64.2	0	0	0	111.2	Y255 F262 Q264 S265 T270 Q271 K272	Y255-L268 HydrophobicContact CD2-CD1 4Å; Y255-L268 HydrophobicContact CG-CD1 4.2Å; F262-L268 HydrophobicContact CD2-CB 3.97Å; F262-L268 HydrophobicContact CD2-CD1 3.92Å; F262-L268 HydrophobicContact CE2-CD1 4.09Å; Q264-L268 PolarHBondContact O-N 3.37Å; S265-L268 WeakPolarHBondContact O-CB 3.38Å; S265-L268 PolarHBondContact O-N 2.89Å; L268-T270 VanDerWaalsContact C-N 3.34Å; L268-T270 PolarHBondContact O-N 2.85Å; L268-Q271 PolarHBondContact O-N 2.8Å; L268-K272 HydrophobicContact CD1-CD 4.48Å; L268-K272 HydrophobicContact CD1-CG 4.45Å; L268-K272 HydrophobicContact CG-CD 4.24Å; L268-K272 WeakPolarHBondContact O-CB 3.47Å; L268-K272 VanDerWaalsContact O-CG 3.29Å; L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.44Å
269	T	52.8	Low	53.3	Low	78 Å²	78	68.8 Å²	68.8	48%	0.479	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-41.1	175.9	-54.2	0	0	0	0	111.7	S265 K272 I273	S265-T269 PolarHBondContact O-N 2.89Å; S265-T269 PolarHBondContact O-OG1 3.43Å; T269-K272 PolarHBondContact O-N 2.93Å; T269-I273 HydrophobicContact CG2-CD1 4.11Å; T269-I273 WeakPolarHBondContact O-CD1 2.99Å; T269-I273 VanDerWaalsContact O-CG1 3.24Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 3.43Å; T269-I273 VanDerWaalsContact O-N 3.1Å
270	T	55	Low	53.4	Low	58 Å²	58	71.8 Å²	71.8	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.8	-55.1	0	0	0	0	111.2	S266 H267 L268 I273 L274	S266-T270 WeakPolarHBondContact O-CB 3.38Å; S266-T270 PolarHBondContact O-N 3.14Å; S266-T270 PolarHBondContact O-OG1 3.38Å; H267-T270 PolarHBondContact O-N 2.79Å; L268-T270 VanDerWaalsContact C-N 3.34Å; L268-T270 PolarHBondContact O-N 2.85Å; T270-I273 PolarHBondContact O-N 3.25Å; T270-L274 HydrophobicContact CG2-CD1 4.33Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.29Å; T270-L274 PolarHBondContact O-N 3.44Å
271	Q	57.6	Low	53.6	Low	38 Å²	38	70.1 Å²	70.1	18%	0.178	39%	0.386	C	S	.	.	H	α-helix	trans	-67.2	-38.2	176.9	-172.4	66.4	18.7	0	0	112.2	F262 H267 L268 I273 L274 H275	F262-Q271 HydrophobicContact CE2-CB 3.97Å; F262-Q271 HydrophobicContact CE2-CG 4.04Å; F262-Q271 HydrophobicContact CZ-CB 3.71Å; F262-Q271 HydrophobicContact CZ-CG 3.67Å; H267-Q271 WeakPolarHBondContact O-CB 3.31Å; H267-Q271 PolarHBondContact O-N 2.97Å; L268-Q271 PolarHBondContact O-N 2.8Å; Q271-I273 VanDerWaalsContact C-N 3.34Å; Q271-I273 PolarHBondContact O-N 2.9Å; Q271-L274 PolarHBondContact O-N 2.89Å; Q271-H275 PolarHBondContact O-N 3.25Å
272	K	55.5	Low	53.7	Low	94 Å²	94	74 Å²	74	41%	0.409	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-42.4	173.2	-79.6	178	174.5	-170.7	0	112.2	Y255 L268 T269 H275 T276	Y255-K272 HydrophobicContact CD2-CD 4.26Å; Y255-K272 HydrophobicContact CD2-CG 3.56Å; Y255-K272 HydrophobicContact CE2-CB 4.39Å; Y255-K272 HydrophobicContact CE2-CD 4.27Å; Y255-K272 HydrophobicContact CE2-CG 3.4Å; L268-K272 HydrophobicContact CD1-CD 4.48Å; L268-K272 HydrophobicContact CD1-CG 4.45Å; L268-K272 HydrophobicContact CG-CD 4.24Å; L268-K272 WeakPolarHBondContact O-CB 3.47Å; L268-K272 VanDerWaalsContact O-CG 3.29Å; L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.44Å; T269-K272 PolarHBondContact O-N 2.93Å; K272-H275 PolarHBondContact O-N 2.67Å; K272-T276 WeakPolarHBondContact O-CG2 3.35Å; K272-T276 PolarHBondContact O-N 3.2Å; K272-T276 PolarHBondContact O-OG1 3.19Å
273	I	56	Low	53.4	Low	33 Å²	33	72.2 Å²	72.2	17%	0.169	39%	0.39	C	S	.	.	H	α-helix	trans	-68.5	-35.7	177	-66.6	163.5	0	0	0	111.3	T269 T270 Q271 T276 G277 N291	T269-I273 HydrophobicContact CG2-CD1 4.11Å; T269-I273 WeakPolarHBondContact O-CD1 2.99Å; T269-I273 VanDerWaalsContact O-CG1 3.24Å; T269-I273 WeakPolarHBondContact O-CG1 3.36Å; T269-I273 PolarHBondContact O-N 3.43Å; T269-I273 VanDerWaalsContact O-N 3.1Å; T270-I273 PolarHBondContact O-N 3.25Å; Q271-I273 VanDerWaalsContact C-N 3.34Å; Q271-I273 PolarHBondContact O-N 2.9Å; I273-T276 PolarHBondContact O-OG1 3.03Å; I273-G277 PolarHBondContact O-N 3.34Å; I273-N291 HydrophobicContact CG2-CB 4.43Å
274	L	52.7	Low	53.7	Low	117 Å²	117	79.6 Å²	79.6	61%	0.613	42%	0.416	S	S	*	.	H	α-helix	trans	-72.2	-29.2	176.8	-70.6	169.7	0	0	0	113.2	T270 Q271	T270-L274 HydrophobicContact CG2-CD1 4.33Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.29Å; T270-L274 PolarHBondContact O-N 3.44Å; Q271-L274 PolarHBondContact O-N 2.89Å
275	H	51.7	Low	53.6	Low	93 Å²	93	82.3 Å²	82.3	43%	0.431	43%	0.428	S	S	.	.	H	α-helix	trans	-80.4	-36.3	-179.7	-148.4	-100	0	0	0	112.7	Y255 E257 Q271 K272	Y255-H275 HydrophobicContact CE1-CB 4.15Å; Y255-H275 AromaticContact CE1-CG 3.8Å; Y255-H275 AromaticContact CE1-ND1 3.91Å; Y255-H275 WeakPolarHBondContact OH-CB 3.37Å; Y255-H275 PolarHBondContact OH-ND1 2.71Å; E257-H275 IonicContact OE2-CE1 3.16Å; E257-H275 PolarHBondContact OE2-CE1 3.01Å; E257-H275 IonicContact OE2-ND1 3.02Å; E257-H275 PolarHBondContact OE2-ND1 2.98Å; Q271-H275 PolarHBondContact O-N 3.25Å; K272-H275 PolarHBondContact O-N 2.67Å
276	T	50.8	Low	53.9	Low	82 Å²	82	81.3 Å²	81.3	50%	0.503	42%	0.421	S	S	.	.	H	α-helix	trans	-80.6	-12.6	179.8	47.7	0	0	0	0	113.7	K272 I273 E278	K272-T276 WeakPolarHBondContact O-CG2 3.35Å; K272-T276 PolarHBondContact O-N 3.2Å; K272-T276 PolarHBondContact O-OG1 3.19Å; I273-T276 PolarHBondContact O-OG1 3.03Å; T276-E278 PolarHBondContact O-N 3.11Å
277	G	50.7	Low	53.9	Low	59 Å²	59	81.2 Å²	81.2	61%	0.608	43%	0.429	S	S	*	.			trans	68	-2.9	-178.1	0	0	0	0	0	114.7	I273 N279	I273-G277 PolarHBondContact O-N 3.34Å; G277-N279 PolarHBondContact O-N 2.98Å; G277-N279 VanDerWaalsContact O-N 3.09Å
278	E	50.8	Low	53.7	Low	133 Å²	133	79.5 Å²	79.5	62%	0.621	42%	0.42	S	S	*	.			trans	-80.4	92.4	-178.2	-71.5	-168.4	150.8	0	0	111.3	T276 L280	T276-E278 PolarHBondContact O-N 3.11Å; E278-L280 PolarHBondContact O-N 3.42Å; E278-L280 VanDerWaalsContact O-N 3.1Å
279	N	54.8	Low	53.5	Low	69 Å²	69	80.4 Å²	80.4	37%	0.369	43%	0.43	S	S	.	.			trans	-70.5	102.7	161.4	-70	-64.4	0	0	0	109.4	G277 Y281 A289	G277-N279 PolarHBondContact O-N 2.98Å; G277-N279 VanDerWaalsContact O-N 3.09Å; N279-Y281 PolarHBondContact O-N 2.86Å; N279-Y281 VanDerWaalsContact O-N 3.15Å; N279-A289 HydrophobicContact CB-CB 3.19Å
280	L	52.6	Low	53.9	Low	107 Å²	107	78.6 Å²	78.6	56%	0.56	42%	0.416	S	S	*	.	S	Bend	trans	-59.4	-24.3	-174.9	-72.8	162.4	0	0	0	114.8	E278	E278-L280 PolarHBondContact O-N 3.42Å; E278-L280 VanDerWaalsContact O-N 3.1Å
281	Y	55.4	Low	53.6	Low	74 Å²	74	78.9 Å²	78.9	29%	0.29	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	94.6	-170.8	-57.8	-69.4	0	0	0	110.9	N279 F290 F293	N279-Y281 PolarHBondContact O-N 2.86Å; N279-Y281 VanDerWaalsContact O-N 3.15Å; Y281-F290 PolarHBondContact N-O 3.4Å; Y281-F290 PolarHBondContact O-N 3.37Å; Y281-F293 HydrophobicContact CD1-CB 4.12Å; Y281-F293 AromaticContact CD1-CD2 3.56Å; Y281-F293 HydrophobicContact CD1-CD2 3.56Å; Y281-F293 HydrophobicContact CD1-CE2 4.5Å; Y281-F293 HydrophobicContact CD1-CG 4.32Å; Y281-F293 HydrophobicContact CD2-CB 4.13Å; Y281-F293 HydrophobicContact CE1-CB 3.96Å; Y281-F293 AromaticContact CE1-CD2 3.71Å; Y281-F293 HydrophobicContact CE1-CD2 3.71Å; Y281-F293 HydrophobicContact CE1-CG 4.24Å; Y281-F293 HydrophobicContact CE2-CB 4Å; Y281-F293 HydrophobicContact CG-CB 4.18Å; Y281-F293 HydrophobicContact CG-CD2 4.2Å
282	K	52.3	Low	53.5	Low	147 Å²	147	81 Å²	81	64%	0.639	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.4	176.9	-63.9	179.4	-176.8	177.6	0	110.8	K284 A289	K282-K284 PolarHBondContact O-N 3.03Å; K282-A289 HydrophobicContact CG-CB 3.86Å
283	C	55.8	Low	53.1	Low	1 Å²	1	80.9 Å²	80.9	1%	0.007	43%	0.427	C	S	.	.			trans	-75.5	116.4	170	-168.3	0	0	0	0	108.9	E285 C286 G287 K288 F290 L296	C283-E285 PolarHBondContact O-N 3.44Å; C283-C286 PolarHBondContact O-N 3.16Å; C283-G287 VanDerWaalsContact O-CA 3.27Å; C283-G287 WeakPolarHBondContact O-CA 3.5Å; C283-G287 PolarHBondContact O-N 3.26Å; C283-K288 WeakPolarHBondContact CB-O 3.33Å; C283-K288 PolarHBondContact N-O 3.09Å; C283-F290 HydrophobicContact CB-CE2 4.4Å; C283-L296 VanDerWaalsContact CA-CD1 3.47Å; C283-L296 HydrophobicContact CB-CD1 3.48Å; C283-L296 VanDerWaalsContact CB-CD1 3.48Å
284	K	55.2	Low	53.1	Low	205 Å²	205	82.3 Å²	82.3	89%	0.891	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.2	-179.6	-66.7	-172.1	176.4	-174.7	0	112.5	K282	K282-K284 PolarHBondContact O-N 3.03Å
285	E	53	Low	53.6	Low	116 Å²	116	79.9 Å²	79.9	54%	0.542	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.4	-175.9	-69.4	167.2	-163.3	0	0	114.6	C283 H303	C283-E285 PolarHBondContact O-N 3.44Å; E285-H303 WeakPolarHBondContact OE2-CB 3.44Å; E285-H303 IonicContact OE2-CD2 2.8Å; E285-H303 PolarHBondContact OE2-CD2 2.88Å; E285-H303 IonicContact OE2-CG 3.77Å
286	C	56.8	Low	54	Low	38 Å²	38	75.8 Å²	75.8	26%	0.257	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	5.1	-174.7	72.7	0	0	0	0	114.1	C283 K288 H299 H303	C283-C286 PolarHBondContact O-N 3.16Å; C286-K288 PolarHBondContact O-N 3.35Å; C286-H299 PolarHBondContact SG-NE2 3.07Å; C286-H303 PolarHBondContact SG-NE2 3.47Å
287	G	50.5	Low	54.4	Low	56 Å²	56	74 Å²	74	58%	0.577	40%	0.397	S	S	*	.			trans	67.6	-3.1	-179.5	0	0	0	0	0	115.7	C283 A289	C283-G287 VanDerWaalsContact O-CA 3.27Å; C283-G287 WeakPolarHBondContact O-CA 3.5Å; C283-G287 PolarHBondContact O-N 3.26Å; G287-A289 PolarHBondContact O-N 3.3Å
288	K	54.4	Low	55.1	Low	56 Å²	56	73 Å²	73	24%	0.243	38%	0.378	C	S	.	.			trans	-67	134.7	-178.8	-69.8	-177.4	-177.4	-179.9	0	111	C283 C286 F290 H433	C283-K288 WeakPolarHBondContact CB-O 3.33Å; C283-K288 PolarHBondContact N-O 3.09Å; C286-K288 PolarHBondContact O-N 3.35Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 3.94Å; K288-F290 WeakPolarHBondContact O-CE2 3.35Å; K288-H433 PolarHBondContact NZ-CE1 3.14Å
289	A	48.2	Very low	55.9	Low	35 Å²	35	67.5 Å²	67.5	29%	0.289	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.1	-172.4	0	0	0	0	0	110.9	N279 K282 G287	N279-A289 HydrophobicContact CB-CB 3.19Å; K282-A289 HydrophobicContact CG-CB 3.86Å; G287-A289 PolarHBondContact O-N 3.3Å
290	F	61.3	Low	56.3	Low	40 Å²	40	68.2 Å²	68.2	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.8	-172.5	-59.7	-89.1	0	0	0	110.9	Y281 C283 K288 N295 L296 H299	Y281-F290 PolarHBondContact N-O 3.4Å; Y281-F290 PolarHBondContact O-N 3.37Å; C283-F290 HydrophobicContact CB-CE2 4.4Å; K288-F290 HydrophobicContact CB-CE2 3.79Å; K288-F290 HydrophobicContact CB-CZ 3.94Å; K288-F290 WeakPolarHBondContact O-CE2 3.35Å; F290-N295 HydrophobicContact CB-CB 4.23Å; F290-N295 HydrophobicContact CD1-CB 3.84Å; F290-N295 HydrophobicContact CG-CB 4.3Å; F290-L296 HydrophobicContact CB-CB 4.19Å; F290-L296 HydrophobicContact CD2-CB 3.83Å; F290-L296 HydrophobicContact CD2-CD1 3.71Å; F290-L296 HydrophobicContact CD2-CG 4.37Å; F290-L296 HydrophobicContact CE2-CD1 3.91Å; F290-L296 HydrophobicContact CG-CB 4.18Å; F290-H299 HydrophobicContact CE1-CB 3.98Å; F290-H299 HydrophobicContact CE2-CB 3.79Å; F290-H299 AromaticContact CE2-CD2 3.4Å; F290-H299 VanDerWaalsContact CE2-CD2 3.4Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.16Å; F290-H299 AromaticContact CE2-CG 3.61Å; F290-H299 HydrophobicContact CZ-CB 3.4Å; F290-H299 AromaticContact CZ-CD2 3.43Å; F290-H299 VanDerWaalsContact CZ-CD2 3.43Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.49Å; F290-H299 AromaticContact CZ-CG 3.18Å; F290-H299 AromaticContact CZ-ND1 3.76Å
291	N	50.1	Low	57.2	Low	63 Å²	63	65.5 Å²	65.5	34%	0.337	34%	0.335	S	S	.	.	S	Bend	trans	-78.6	-22.6	177.1	59.2	-3	0	0	0	113.4	I273 N295	I273-N291 HydrophobicContact CG2-CB 4.43Å; N291-N295 PolarHBondContact OD1-ND2 3.11Å
292	L	55.4	Low	57.5	Low	84 Å²	84	66.7 Å²	66.7	44%	0.44	35%	0.345	S	S	.	.	S	Bend	trans	-125.1	138.7	174.8	-77.5	86.6	0	0	0	111.1	S294 N295 L296	L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 2.88Å; L292-N295 HydrophobicContact CB-CB 4.48Å; L292-N295 WeakPolarHBondContact O-CB 3.41Å; L292-N295 PolarHBondContact O-N 3.08Å; L292-L296 PolarHBondContact O-N 3.15Å
293	F	47.7	Very low	58	Low	91 Å²	91	63.5 Å²	63.5	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-33.3	176.3	-175.2	-102.7	0	0	0	113	Y281 N295 L296 T297	Y281-F293 HydrophobicContact CD1-CB 4.12Å; Y281-F293 AromaticContact CD1-CD2 3.56Å; Y281-F293 HydrophobicContact CD1-CD2 3.56Å; Y281-F293 HydrophobicContact CD1-CE2 4.5Å; Y281-F293 HydrophobicContact CD1-CG 4.32Å; Y281-F293 HydrophobicContact CD2-CB 4.13Å; Y281-F293 HydrophobicContact CE1-CB 3.96Å; Y281-F293 AromaticContact CE1-CD2 3.71Å; Y281-F293 HydrophobicContact CE1-CD2 3.71Å; Y281-F293 HydrophobicContact CE1-CG 4.24Å; Y281-F293 HydrophobicContact CE2-CB 4Å; Y281-F293 HydrophobicContact CG-CB 4.18Å; Y281-F293 HydrophobicContact CG-CD2 4.2Å; F293-N295 VanDerWaalsContact C-N 3.3Å; F293-N295 PolarHBondContact O-N 2.85Å; F293-L296 PolarHBondContact O-N 3.04Å; F293-T297 WeakPolarHBondContact CE1-OG1 3.41Å; F293-T297 WeakPolarHBondContact O-CB 3.38Å; F293-T297 PolarHBondContact O-N 3.38Å; F293-T297 PolarHBondContact O-OG1 3.29Å
294	S	54.8	Low	58.3	Low	63 Å²	63	66.4 Å²	66.4	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-35.5	174.7	52.2	0	0	0	0	112.5	L292 T297 N298	L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 2.88Å; S294-T297 PolarHBondContact O-N 3.31Å; S294-N298 WeakPolarHBondContact O-CB 2.91Å; S294-N298 VanDerWaalsContact O-CG 3.28Å; S294-N298 PolarHBondContact O-N 3.47Å; S294-N298 PolarHBondContact O-ND2 3.34Å
295	N	63	Low	58.5	Low	66 Å²	66	59.1 Å²	59.1	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-40.1	176.1	-66	-20.8	0	0	0	111.2	F290 N291 L292 F293 T297 H299	F290-N295 HydrophobicContact CB-CB 4.23Å; F290-N295 HydrophobicContact CD1-CB 3.84Å; F290-N295 HydrophobicContact CG-CB 4.3Å; N291-N295 PolarHBondContact OD1-ND2 3.11Å; L292-N295 HydrophobicContact CB-CB 4.48Å; L292-N295 WeakPolarHBondContact O-CB 3.41Å; L292-N295 PolarHBondContact O-N 3.08Å; F293-N295 VanDerWaalsContact C-N 3.3Å; F293-N295 PolarHBondContact O-N 2.85Å; N295-T297 VanDerWaalsContact C-N 3.35Å; N295-H299 VanDerWaalsContact O-CB 3.25Å; N295-H299 WeakPolarHBondContact O-CB 3.22Å; N295-H299 PolarHBondContact O-N 3.48Å
296	L	60.3	Low	58.9	Low	7 Å²	7	58.7 Å²	58.7	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-43.5	171.4	173.9	61.9	0	0	0	111.3	C283 F290 L292 F293 H299 K300	C283-L296 VanDerWaalsContact CA-CD1 3.47Å; C283-L296 HydrophobicContact CB-CD1 3.48Å; C283-L296 VanDerWaalsContact CB-CD1 3.48Å; F290-L296 HydrophobicContact CB-CB 4.19Å; F290-L296 HydrophobicContact CD2-CB 3.83Å; F290-L296 HydrophobicContact CD2-CD1 3.71Å; F290-L296 HydrophobicContact CD2-CG 4.37Å; F290-L296 HydrophobicContact CE2-CD1 3.91Å; F290-L296 HydrophobicContact CG-CB 4.18Å; L292-L296 PolarHBondContact O-N 3.15Å; F293-L296 PolarHBondContact O-N 3.04Å; L296-H299 WeakPolarHBondContact O-CB 3.46Å; L296-H299 PolarHBondContact O-N 2.98Å; L296-H299 VanDerWaalsContact O-N 3.14Å; L296-K300 HydrophobicContact CD1-CG 4.18Å; L296-K300 HydrophobicContact CG-CD 4.48Å; L296-K300 HydrophobicContact CG-CG 4.47Å; L296-K300 WeakPolarHBondContact O-CG 3.48Å; L296-K300 PolarHBondContact O-N 2.82Å
297	T	60.1	Low	59.3	Low	44 Å²	44	62.9 Å²	62.9	27%	0.27	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-44.2	-179.6	-53.4	0	0	0	0	111.2	F293 S294 N295 H299 K300 R301	F293-T297 WeakPolarHBondContact CE1-OG1 3.41Å; F293-T297 WeakPolarHBondContact O-CB 3.38Å; F293-T297 PolarHBondContact O-N 3.38Å; F293-T297 PolarHBondContact O-OG1 3.29Å; S294-T297 PolarHBondContact O-N 3.31Å; N295-T297 VanDerWaalsContact C-N 3.35Å; T297-H299 VanDerWaalsContact C-N 3.27Å; T297-H299 PolarHBondContact O-N 2.94Å; T297-K300 PolarHBondContact O-N 3.04Å; T297-R301 WeakPolarHBondContact O-CG 3.46Å; T297-R301 PolarHBondContact O-N 2.86Å
298	N	64.3	Low	60	Low	38 Å²	38	63.6 Å²	63.6	20%	0.203	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-33.3	173.1	-72.3	-27.7	0	0	0	112.5	S294 R301 I320	S294-N298 WeakPolarHBondContact O-CB 2.91Å; S294-N298 VanDerWaalsContact O-CG 3.28Å; S294-N298 PolarHBondContact O-N 3.47Å; S294-N298 PolarHBondContact O-ND2 3.34Å; N298-R301 PolarHBondContact OD1-NH1 3.33Å; N298-I320 HydrophobicContact CB-CD1 4.43Å; N298-I320 HydrophobicContact CB-CG1 4.11Å
299	H	68	Low	60.5	Low	17 Å²	17	64.1 Å²	64.1	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-70.9	-40.3	177	178.3	62.4	0	0	0	112.5	C286 F290 N295 L296 T297 R301 I302 H303	C286-H299 PolarHBondContact SG-NE2 3.07Å; F290-H299 HydrophobicContact CE1-CB 3.98Å; F290-H299 HydrophobicContact CE2-CB 3.79Å; F290-H299 AromaticContact CE2-CD2 3.4Å; F290-H299 VanDerWaalsContact CE2-CD2 3.4Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.16Å; F290-H299 AromaticContact CE2-CG 3.61Å; F290-H299 HydrophobicContact CZ-CB 3.4Å; F290-H299 AromaticContact CZ-CD2 3.43Å; F290-H299 VanDerWaalsContact CZ-CD2 3.43Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.49Å; F290-H299 AromaticContact CZ-CG 3.18Å; F290-H299 AromaticContact CZ-ND1 3.76Å; N295-H299 VanDerWaalsContact O-CB 3.25Å; N295-H299 WeakPolarHBondContact O-CB 3.22Å; N295-H299 PolarHBondContact O-N 3.48Å; L296-H299 WeakPolarHBondContact O-CB 3.46Å; L296-H299 PolarHBondContact O-N 2.98Å; L296-H299 VanDerWaalsContact O-N 3.14Å; T297-H299 VanDerWaalsContact C-N 3.27Å; T297-H299 PolarHBondContact O-N 2.94Å; H299-R301 PolarHBondContact O-N 3.08Å; H299-I302 VanDerWaalsContact O-CB 3.22Å; H299-I302 WeakPolarHBondContact O-CB 3.44Å; H299-I302 WeakPolarHBondContact O-CG1 3.3Å; H299-I302 PolarHBondContact O-N 3.25Å; H299-H303 AromaticContact CD2-NE2 3.82Å; H299-H303 AromaticContact CE1-NE2 3.67Å; H299-H303 AromaticContact NE2-CE1 3.83Å; H299-H303 AromaticContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact NE2-NE2 3.21Å
300	K	63.7	Low	61.3	Low	85 Å²	85	69.4 Å²	69.4	37%	0.37	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-35.1	175.8	-75.3	-176.8	172.1	-163.5	0	112.7	L296 T297 I302 H303 A304	L296-K300 HydrophobicContact CD1-CG 4.18Å; L296-K300 HydrophobicContact CG-CD 4.48Å; L296-K300 HydrophobicContact CG-CG 4.47Å; L296-K300 WeakPolarHBondContact O-CG 3.48Å; L296-K300 PolarHBondContact O-N 2.82Å; T297-K300 PolarHBondContact O-N 3.04Å; K300-I302 PolarHBondContact O-N 3.21Å; K300-I302 VanDerWaalsContact O-N 3.13Å; K300-H303 PolarHBondContact O-N 2.84Å; K300-A304 PolarHBondContact O-N 2.96Å; K300-A304 VanDerWaalsContact O-N 3.15Å
301	R	71.6	Confident	61.3	Low	50 Å²	50	67.6 Å²	67.6	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-18.9	174	-66	173	-174.7	170.6	-3.3	113.9	T297 N298 H299 G305 E306 Y309	T297-R301 WeakPolarHBondContact O-CG 3.46Å; T297-R301 PolarHBondContact O-N 2.86Å; N298-R301 PolarHBondContact OD1-NH1 3.33Å; H299-R301 PolarHBondContact O-N 3.08Å; R301-G305 PolarHBondContact O-N 3.15Å; R301-E306 HydrophobicContact CB-CB 4.24Å; R301-E306 HydrophobicContact CG-CB 4.31Å; R301-E306 PolarHBondContact O-N 3.16Å; R301-E306 VanDerWaalsContact O-N 3.13Å; R301-Y309 VanDerWaalsContact NH1-CE2 3.31Å; R301-Y309 PolarHBondContact NH1-OH 3.4Å; R301-Y309 VanDerWaalsContact NH1-OH 3.17Å
302	I	60.4	Low	62	Low	99 Å²	99	74.3 Å²	74.3	51%	0.508	38%	0.382	S	S	.	.	H	α-helix	trans	-73.3	-38.6	174.9	-57.4	175.5	0	0	0	110.4	H299 K300	H299-I302 VanDerWaalsContact O-CB 3.22Å; H299-I302 WeakPolarHBondContact O-CB 3.44Å; H299-I302 WeakPolarHBondContact O-CG1 3.3Å; H299-I302 PolarHBondContact O-N 3.25Å; K300-I302 PolarHBondContact O-N 3.21Å; K300-I302 VanDerWaalsContact O-N 3.13Å
303	H	63.2	Low	61.9	Low	79 Å²	79	76.3 Å²	76.3	37%	0.366	39%	0.389	S	S	.	.	H	α-helix	trans	-74.6	-41.2	178.6	-58.8	-53.5	0	0	0	111.7	E285 C286 H299 K300 G305	E285-H303 WeakPolarHBondContact OE2-CB 3.44Å; E285-H303 IonicContact OE2-CD2 2.8Å; E285-H303 PolarHBondContact OE2-CD2 2.88Å; E285-H303 IonicContact OE2-CG 3.77Å; C286-H303 PolarHBondContact SG-NE2 3.47Å; H299-H303 AromaticContact CD2-NE2 3.82Å; H299-H303 AromaticContact CE1-NE2 3.67Å; H299-H303 AromaticContact NE2-CE1 3.83Å; H299-H303 AromaticContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact NE2-NE2 3.21Å; K300-H303 PolarHBondContact O-N 2.84Å; H303-G305 PolarHBondContact O-N 3.45Å
304	A	62	Low	62.6	Low	62 Å²	62	74.3 Å²	74.3	51%	0.512	39%	0.386	S	S	.	.	S	Bend	trans	-73.4	-4.5	176.8	0	0	0	0	0	113.9	K300 E306	K300-A304 PolarHBondContact O-N 2.96Å; K300-A304 VanDerWaalsContact O-N 3.15Å; A304-E306 HydrophobicContact CB-CB 4.39Å; A304-E306 HydrophobicContact CB-CG 3.77Å; A304-E306 PolarHBondContact O-N 2.79Å
305	G	59.5	Low	62.7	Low	53 Å²	53	73.9 Å²	73.9	55%	0.546	39%	0.391	S	S	.	.			trans	63.9	3.9	-173.9	0	0	0	0	0	114.6	R301 H303 K307	R301-G305 PolarHBondContact O-N 3.15Å; H303-G305 PolarHBondContact O-N 3.45Å; G305-K307 PolarHBondContact O-N 3.47Å
306	E	61.7	Low	62.8	Low	107 Å²	107	78.1 Å²	78.1	50%	0.5	40%	0.402	S	S	.	.			trans	-64.2	122.5	-175.6	-73.3	178	-168	0	0	111.3	R301 A304 P308	R301-E306 HydrophobicContact CB-CB 4.24Å; R301-E306 HydrophobicContact CG-CB 4.31Å; R301-E306 PolarHBondContact O-N 3.16Å; R301-E306 VanDerWaalsContact O-N 3.13Å; A304-E306 HydrophobicContact CB-CB 4.39Å; A304-E306 HydrophobicContact CB-CG 3.77Å; A304-E306 PolarHBondContact O-N 2.79Å; E306-P308 VanDerWaalsContact C-CD 3.5Å; E306-P308 HydrophobicContact CB-CG 4.41Å; E306-P308 WeakPolarHBondContact O-CD 3.49Å
307	K	64.4	Low	63	Low	125 Å²	125	79.3 Å²	79.3	54%	0.543	41%	0.413	S	S	.	.			trans	-120.8	73.6	172.7	-66.4	170.9	-179.9	177.4	0	109.2	G305 Y309 A317 F318	G305-K307 PolarHBondContact O-N 3.47Å; K307-Y309 PolarHBondContact O-N 3.11Å; K307-A317 HydrophobicContact CB-CB 3.46Å; K307-A317 VanDerWaalsContact CB-CB 3.46Å; K307-A317 HydrophobicContact CD-CB 3.93Å; K307-A317 WeakPolarHBondContact CD-O 2.96Å; K307-A317 HydrophobicContact CG-CB 4.32Å; K307-F318 CarbonylContact C-O 3.58Å; K307-F318 VanDerWaalsContact C-O 3.26Å; K307-F318 VanDerWaalsContact CA-O 3.3Å; K307-F318 WeakPolarHBondContact CA-O 2.96Å
308	P	65.2	Low	63.5	Low	71 Å²	71	79.1 Å²	79.1	46%	0.461	41%	0.409	S	S	.	.			trans	-68.3	-19.3	-170.4	-15.3	30.1	0	0	0	113	E306	E306-P308 VanDerWaalsContact C-CD 3.5Å; E306-P308 HydrophobicContact CB-CG 4.41Å; E306-P308 WeakPolarHBondContact O-CD 3.49Å
309	Y	66.6	Low	63	Low	68 Å²	68	79.3 Å²	79.3	27%	0.267	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	90.9	-174.3	-55.5	-71.9	0	0	0	109.5	R301 K307 A317 F318 S321	R301-Y309 VanDerWaalsContact NH1-CE2 3.31Å; R301-Y309 PolarHBondContact NH1-OH 3.4Å; R301-Y309 VanDerWaalsContact NH1-OH 3.17Å; K307-Y309 PolarHBondContact O-N 3.11Å; Y309-A317 CarbonylContact O-C 3.55Å; Y309-F318 WeakPolarHBondContact CB-O 3.39Å; Y309-F318 PolarHBondContact N-O 3.06Å; Y309-F318 VanDerWaalsContact N-O 3.12Å; Y309-F318 PolarHBondContact O-N 3.21Å; Y309-S321 VanDerWaalsContact CD2-N 3.32Å
310	K	63.8	Low	62.9	Low	145 Å²	145	80.8 Å²	80.8	63%	0.63	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.2	176.9	-65.1	-177	-179.7	178.5	0	110.5	K312 A317	K310-K312 PolarHBondContact O-N 3.38Å; K310-A317 HydrophobicContact CG-CB 3.78Å
311	C	62.1	Low	62.5	Low	3 Å²	3	79.1 Å²	79.1	2%	0.02	42%	0.417	C	S	.	.			trans	-70.5	122.6	170.6	-177	0	0	0	0	108.9	E313 G315 R316 F318 L324 Q327 H331	C311-E313 VanDerWaalsContact C-N 3.25Å; C311-E313 PolarHBondContact O-N 3.19Å; C311-G315 VanDerWaalsContact O-CA 3.22Å; C311-G315 WeakPolarHBondContact O-CA 3.37Å; C311-G315 PolarHBondContact O-N 3.02Å; C311-R316 WeakPolarHBondContact CB-O 3.41Å; C311-R316 PolarHBondContact N-O 2.91Å; C311-F318 HydrophobicContact CB-CE2 4.38Å; C311-L324 VanDerWaalsContact CA-CD1 3.41Å; C311-L324 HydrophobicContact CB-CD1 3.6Å; C311-Q327 HydrophobicContact CB-CG 4.39Å; C311-H331 PolarHBondContact SG-CD2 3.28Å
312	K	64.6	Low	62	Low	204 Å²	204	79.8 Å²	79.8	89%	0.887	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.3	-179.2	-64.6	-174.9	177.7	-174.2	0	112.7	K310	K310-K312 PolarHBondContact O-N 3.38Å
313	E	54	Low	62.2	Low	125 Å²	125	77.3 Å²	77.3	58%	0.584	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-44.8	-177.9	-75.8	-173.5	-147	0	0	114.6	C311 H331	C311-E313 VanDerWaalsContact C-N 3.25Å; C311-E313 PolarHBondContact O-N 3.19Å; E313-H331 HydrophobicContact CB-CB 4.41Å; E313-H331 WeakPolarHBondContact OE2-CB 3.37Å; E313-H331 IonicContact OE2-CG 3.18Å; E313-H331 VanDerWaalsContact OE2-CG 3.29Å; E313-H331 IonicContact OE2-ND1 2.93Å; E313-H331 PolarHBondContact OE2-ND1 2.86Å
314	C	62	Low	62.1	Low	50 Å²	50	74.3 Å²	74.3	34%	0.338	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	2.8	-178.8	65.7	0	0	0	0	114.9	R316 H331	C314-R316 PolarHBondContact O-N 3.31Å; C314-R316 VanDerWaalsContact SG-CB 3.58Å; C314-H331 VanDerWaalsContact CB-CE1 3.44Å; C314-H331 WeakPolarHBondContact CB-CE1 3.39Å; C314-H331 WeakPolarHBondContact CB-NE2 3.3Å; C314-H331 PolarHBondContact SG-NE2 3.16Å
315	G	57.3	Low	61.9	Low	54 Å²	54	75.3 Å²	75.3	56%	0.557	40%	0.4	S	S	*	.			trans	67.1	-2.3	-176.9	0	0	0	0	0	115.3	C311 A317	C311-G315 VanDerWaalsContact O-CA 3.22Å; C311-G315 WeakPolarHBondContact O-CA 3.37Å; C311-G315 PolarHBondContact O-N 3.02Å; G315-A317 PolarHBondContact O-N 2.96Å
316	R	63.7	Low	61.8	Low	154 Å²	154	78.6 Å²	78.6	58%	0.581	40%	0.399	S	S	*	.			trans	-67	128.7	-178.4	-73.4	-176.9	175.6	173.1	1	111.5	C311 C314 F318	C311-R316 WeakPolarHBondContact CB-O 3.41Å; C311-R316 PolarHBondContact N-O 2.91Å; C314-R316 PolarHBondContact O-N 3.31Å; C314-R316 VanDerWaalsContact SG-CB 3.58Å; R316-F318 HydrophobicContact CB-CE2 3.85Å; R316-F318 HydrophobicContact CB-CZ 3.89Å; R316-F318 WeakPolarHBondContact O-CD2 3.08Å; R316-F318 WeakPolarHBondContact O-CE2 3.31Å
317	A	65.9	Low	61.6	Low	32 Å²	32	74.7 Å²	74.7	26%	0.264	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.2	-179	0	0	0	0	0	111.9	K307 Y309 K310 G315	K307-A317 HydrophobicContact CB-CB 3.46Å; K307-A317 VanDerWaalsContact CB-CB 3.46Å; K307-A317 HydrophobicContact CD-CB 3.93Å; K307-A317 WeakPolarHBondContact CD-O 2.96Å; K307-A317 HydrophobicContact CG-CB 4.32Å; Y309-A317 CarbonylContact O-C 3.55Å; K310-A317 HydrophobicContact CG-CB 3.78Å; G315-A317 PolarHBondContact O-N 2.96Å
318	F	70.3	Confident	61.3	Low	41 Å²	41	71.6 Å²	71.6	18%	0.18	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.7	-178.7	-57.2	-84.5	0	0	0	111.4	K307 Y309 C311 R316 N323 L324 Q327	K307-F318 CarbonylContact C-O 3.58Å; K307-F318 VanDerWaalsContact C-O 3.26Å; K307-F318 VanDerWaalsContact CA-O 3.3Å; K307-F318 WeakPolarHBondContact CA-O 2.96Å; Y309-F318 WeakPolarHBondContact CB-O 3.39Å; Y309-F318 PolarHBondContact N-O 3.06Å; Y309-F318 VanDerWaalsContact N-O 3.12Å; Y309-F318 PolarHBondContact O-N 3.21Å; C311-F318 HydrophobicContact CB-CE2 4.38Å; R316-F318 HydrophobicContact CB-CE2 3.85Å; R316-F318 HydrophobicContact CB-CZ 3.89Å; R316-F318 WeakPolarHBondContact O-CD2 3.08Å; R316-F318 WeakPolarHBondContact O-CE2 3.31Å; F318-N323 HydrophobicContact CB-CB 4.34Å; F318-N323 HydrophobicContact CD1-CB 3.96Å; F318-N323 HydrophobicContact CG-CB 4.3Å; F318-L324 HydrophobicContact CB-CB 4.44Å; F318-L324 HydrophobicContact CD2-CB 3.97Å; F318-L324 HydrophobicContact CD2-CD1 3.93Å; F318-L324 HydrophobicContact CE2-CD1 4.18Å; F318-L324 HydrophobicContact CG-CB 4.47Å; F318-Q327 HydrophobicContact CE1-CB 4.44Å; F318-Q327 HydrophobicContact CE2-CB 3.56Å; F318-Q327 HydrophobicContact CE2-CG 3.7Å; F318-Q327 HydrophobicContact CZ-CB 3.47Å; F318-Q327 VanDerWaalsContact CZ-CB 3.47Å; F318-Q327 HydrophobicContact CZ-CG 3.56Å
319	N	53.4	Low	61	Low	42 Å²	42	74.7 Å²	74.7	23%	0.225	38%	0.375	C	S	.	.	S	Bend	trans	-82.3	-18.3	176.6	57.7	1	0	0	0	113.5
320	I	64.9	Low	60.6	Low	48 Å²	48	77.1 Å²	77.1	25%	0.246	39%	0.391	C	S	.	.	S	Bend	trans	-130.8	129.1	-177.4	-56.1	168.8	0	0	0	110	N298 S322 N323 L324	N298-I320 HydrophobicContact CB-CD1 4.43Å; N298-I320 HydrophobicContact CB-CG1 4.11Å; I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 VanDerWaalsContact CG2-OG 3.28Å; I320-S322 WeakPolarHBondContact CG2-OG 3.17Å; I320-S322 PolarHBondContact O-N 2.86Å; I320-N323 WeakPolarHBondContact O-CB 3.3Å; I320-N323 PolarHBondContact O-N 3.07Å; I320-L324 PolarHBondContact O-N 2.97Å
321	S	55.4	Low	60.2	Low	49 Å²	49	72.9 Å²	72.9	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-32.1	179.7	167.6	0	0	0	0	113.8	Y309 N323 L324 N325	Y309-S321 VanDerWaalsContact CD2-N 3.32Å; S321-N323 VanDerWaalsContact C-N 3.25Å; S321-N323 PolarHBondContact O-N 2.94Å; S321-L324 PolarHBondContact O-N 2.8Å; S321-N325 WeakPolarHBondContact O-CB 3.32Å; S321-N325 PolarHBondContact O-N 2.88Å
322	S	61.7	Low	59.7	Low	64 Å²	64	77.3 Å²	77.3	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-22.7	176	65.7	0	0	0	0	113.7	I320 K326	I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 VanDerWaalsContact CG2-OG 3.28Å; I320-S322 WeakPolarHBondContact CG2-OG 3.17Å; I320-S322 PolarHBondContact O-N 2.86Å; S322-K326 VanDerWaalsContact O-CG 3.28Å; S322-K326 WeakPolarHBondContact O-CG 3.36Å; S322-K326 PolarHBondContact O-N 3.02Å
323	N	65.7	Low	59.1	Low	47 Å²	47	70.1 Å²	70.1	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-83.3	-37.1	173.3	-68	-24.5	0	0	0	111.2	F318 I320 S321 K326 Q327	F318-N323 HydrophobicContact CB-CB 4.34Å; F318-N323 HydrophobicContact CD1-CB 3.96Å; F318-N323 HydrophobicContact CG-CB 4.3Å; I320-N323 WeakPolarHBondContact O-CB 3.3Å; I320-N323 PolarHBondContact O-N 3.07Å; S321-N323 VanDerWaalsContact C-N 3.25Å; S321-N323 PolarHBondContact O-N 2.94Å; N323-K326 WeakPolarHBondContact O-CB 3.08Å; N323-K326 PolarHBondContact O-N 3.23Å; N323-K326 VanDerWaalsContact O-N 3.13Å; N323-K326 PolarHBondContact OD1-NZ 2.75Å; N323-Q327 PolarHBondContact O-N 3.13Å
324	L	60.9	Low	58.7	Low	16 Å²	16	66 Å²	66	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-48.8	167.2	175.2	63.9	0	0	0	110.6	C311 F318 I320 S321 K326 Q327 E328	C311-L324 VanDerWaalsContact CA-CD1 3.41Å; C311-L324 HydrophobicContact CB-CD1 3.6Å; F318-L324 HydrophobicContact CB-CB 4.44Å; F318-L324 HydrophobicContact CD2-CB 3.97Å; F318-L324 HydrophobicContact CD2-CD1 3.93Å; F318-L324 HydrophobicContact CE2-CD1 4.18Å; F318-L324 HydrophobicContact CG-CB 4.47Å; I320-L324 PolarHBondContact O-N 2.97Å; S321-L324 PolarHBondContact O-N 2.8Å; L324-K326 PolarHBondContact O-N 3.08Å; L324-K326 VanDerWaalsContact O-N 3.14Å; L324-Q327 CarbonylContact O-C 3.32Å; L324-Q327 WeakPolarHBondContact O-CA 3.49Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 2.83Å; L324-E328 HydrophobicContact CD1-CG 3.77Å; L324-E328 HydrophobicContact CG-CG 4.04Å; L324-E328 WeakPolarHBondContact CG-OE1 3.48Å; L324-E328 WeakPolarHBondContact O-CB 3.27Å; L324-E328 WeakPolarHBondContact O-CG 3.5Å; L324-E328 PolarHBondContact O-N 3.36Å
325	N	56.5	Low	58.2	Low	84 Å²	84	72.6 Å²	72.6	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-26.7	174.6	-95.3	-8.7	0	0	0	113.6	S321 K329	S321-N325 WeakPolarHBondContact O-CB 3.32Å; S321-N325 PolarHBondContact O-N 2.88Å; N325-K329 WeakPolarHBondContact O-CB 3.48Å; N325-K329 WeakPolarHBondContact O-CD 3.32Å; N325-K329 WeakPolarHBondContact O-CG 3.49Å; N325-K329 PolarHBondContact O-N 2.94Å
326	K	57.8	Low	57.7	Low	121 Å²	121	74 Å²	74	53%	0.526	39%	0.393	S	S	.	.	H	α-helix	trans	-75.6	-40.4	172.1	-73.6	167.4	-163.8	162.6	0	110.9	S322 N323 L324 K329 I330	S322-K326 VanDerWaalsContact O-CG 3.28Å; S322-K326 WeakPolarHBondContact O-CG 3.36Å; S322-K326 PolarHBondContact O-N 3.02Å; N323-K326 WeakPolarHBondContact O-CB 3.08Å; N323-K326 PolarHBondContact O-N 3.23Å; N323-K326 VanDerWaalsContact O-N 3.13Å; N323-K326 PolarHBondContact OD1-NZ 2.75Å; L324-K326 PolarHBondContact O-N 3.08Å; L324-K326 VanDerWaalsContact O-N 3.14Å; K326-K329 PolarHBondContact O-N 3.15Å; K326-I330 WeakPolarHBondContact O-CG1 3.48Å; K326-I330 PolarHBondContact O-N 2.9Å
327	Q	58.2	Low	57.2	Low	25 Å²	25	69 Å²	69	12%	0.117	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-45.1	177.7	-172.6	64.1	32.8	0	0	111.5	C311 F318 N323 L324 K329 I330 H331	C311-Q327 HydrophobicContact CB-CG 4.39Å; F318-Q327 HydrophobicContact CE1-CB 4.44Å; F318-Q327 HydrophobicContact CE2-CB 3.56Å; F318-Q327 HydrophobicContact CE2-CG 3.7Å; F318-Q327 HydrophobicContact CZ-CB 3.47Å; F318-Q327 VanDerWaalsContact CZ-CB 3.47Å; F318-Q327 HydrophobicContact CZ-CG 3.56Å; N323-Q327 PolarHBondContact O-N 3.13Å; L324-Q327 CarbonylContact O-C 3.32Å; L324-Q327 WeakPolarHBondContact O-CA 3.49Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 2.83Å; Q327-K329 PolarHBondContact O-N 2.93Å; Q327-I330 WeakPolarHBondContact O-CA 3.18Å; Q327-I330 VanDerWaalsContact O-CB 3.29Å; Q327-I330 WeakPolarHBondContact O-CB 3.45Å; Q327-I330 PolarHBondContact O-N 3.28Å; Q327-H331 PolarHBondContact NE2-NE2 3.41Å; Q327-H331 PolarHBondContact O-CD2 2.97Å; Q327-H331 PolarHBondContact O-N 3.44Å; Q327-H331 VanDerWaalsContact O-N 3.11Å
328	E	58.4	Low	56.2	Low	60 Å²	60	73.3 Å²	73.3	28%	0.28	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-33.1	174.7	-70.9	176.8	161.6	0	0	111.5	L324 I330 H331 T332	L324-E328 HydrophobicContact CD1-CG 3.77Å; L324-E328 HydrophobicContact CG-CG 4.04Å; L324-E328 WeakPolarHBondContact CG-OE1 3.48Å; L324-E328 WeakPolarHBondContact O-CB 3.27Å; L324-E328 WeakPolarHBondContact O-CG 3.5Å; L324-E328 PolarHBondContact O-N 3.36Å; E328-I330 VanDerWaalsContact C-N 3.32Å; E328-I330 PolarHBondContact O-N 3.39Å; E328-H331 WeakPolarHBondContact O-CB 3.39Å; E328-H331 PolarHBondContact O-N 2.8Å; E328-T332 WeakPolarHBondContact O-CG2 3.49Å; E328-T332 PolarHBondContact O-N 3.04Å; E328-T332 PolarHBondContact O-OG1 2.86Å
329	K	57.8	Low	55.2	Low	137 Å²	137	71.4 Å²	71.4	60%	0.596	38%	0.382	S	S	*	.	H	α-helix	trans	-69.2	-25.3	171	-77.8	176	-176.2	-163.6	0	114.5	N325 K326 Q327 G334	N325-K329 WeakPolarHBondContact O-CB 3.48Å; N325-K329 WeakPolarHBondContact O-CD 3.32Å; N325-K329 WeakPolarHBondContact O-CG 3.49Å; N325-K329 PolarHBondContact O-N 2.94Å; K326-K329 PolarHBondContact O-N 3.15Å; Q327-K329 PolarHBondContact O-N 2.93Å; K329-G334 PolarHBondContact O-N 3.11Å
330	I	58.3	Low	55.3	Low	118 Å²	118	77.1 Å²	77.1	61%	0.605	41%	0.407	S	S	*	.	H	α-helix	trans	-73.3	-36	173	-66.8	164.7	0	0	0	109.6	K326 Q327 E328	K326-I330 WeakPolarHBondContact O-CG1 3.48Å; K326-I330 PolarHBondContact O-N 2.9Å; Q327-I330 WeakPolarHBondContact O-CA 3.18Å; Q327-I330 VanDerWaalsContact O-CB 3.29Å; Q327-I330 WeakPolarHBondContact O-CB 3.45Å; Q327-I330 PolarHBondContact O-N 3.28Å; E328-I330 VanDerWaalsContact C-N 3.32Å; E328-I330 PolarHBondContact O-N 3.39Å
331	H	56	Low	54.7	Low	56 Å²	56	80.9 Å²	80.9	26%	0.259	42%	0.424	S	S	.	.	H	α-helix	trans	-72.5	-52.1	-179.6	-85	-49.7	0	0	0	113.9	C311 E313 C314 Q327 E328 G333	C311-H331 PolarHBondContact SG-CD2 3.28Å; E313-H331 HydrophobicContact CB-CB 4.41Å; E313-H331 WeakPolarHBondContact OE2-CB 3.37Å; E313-H331 IonicContact OE2-CG 3.18Å; E313-H331 VanDerWaalsContact OE2-CG 3.29Å; E313-H331 IonicContact OE2-ND1 2.93Å; E313-H331 PolarHBondContact OE2-ND1 2.86Å; C314-H331 VanDerWaalsContact CB-CE1 3.44Å; C314-H331 WeakPolarHBondContact CB-CE1 3.39Å; C314-H331 WeakPolarHBondContact CB-NE2 3.3Å; C314-H331 PolarHBondContact SG-NE2 3.16Å; Q327-H331 PolarHBondContact NE2-NE2 3.41Å; Q327-H331 PolarHBondContact O-CD2 2.97Å; Q327-H331 PolarHBondContact O-N 3.44Å; Q327-H331 VanDerWaalsContact O-N 3.11Å; E328-H331 WeakPolarHBondContact O-CB 3.39Å; E328-H331 PolarHBondContact O-N 2.8Å; H331-G333 PolarHBondContact O-N 3.03Å
332	T	50	Low	54.5	Low	96 Å²	96	80.7 Å²	80.7	59%	0.589	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	15.9	-179.7	66.1	0	0	0	0	113.4	E328 G334	E328-T332 WeakPolarHBondContact O-CG2 3.49Å; E328-T332 PolarHBondContact O-N 3.04Å; E328-T332 PolarHBondContact O-OG1 2.86Å; T332-G334 PolarHBondContact O-N 3.34Å
333	G	53.5	Low	54	Low	54 Å²	54	83.7 Å²	83.7	56%	0.557	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	35.3	-175.2	0	0	0	0	0	113.2	H331 K335	H331-G333 PolarHBondContact O-N 3.03Å; G333-K335 PolarHBondContact O-N 2.79Å
334	G	45.7	Very low	53.2	Low	37 Å²	37	87.5 Å²	87.5	38%	0.381	45%	0.447	S	S	.	.			trans	-64.5	96.6	-166.3	0	0	0	0	0	111.7	K329 T332 L336	K329-G334 PolarHBondContact O-N 3.11Å; T332-G334 PolarHBondContact O-N 3.34Å; G334-L336 VanDerWaalsContact C-N 3.32Å; G334-L336 PolarHBondContact O-N 3.08Å
335	K	50	Low	52.6	Low	189 Å²	189	89.3 Å²	89.3	82%	0.822	47%	0.465	S	S	*	.			trans	11.2	76.5	-175.5	-96.9	-177.7	177.8	177.4	0	112.2	G333 N337	G333-K335 PolarHBondContact O-N 2.79Å; K335-N337 PolarHBondContact O-N 3.3Å
336	L	48.5	Very low	52.6	Low	85 Å²	85	87.3 Å²	87.3	45%	0.445	45%	0.452	S	S	.	.			trans	-56.7	114.2	152.4	-78.8	160.1	0	0	0	104.8	G334 K338 A345	G334-L336 VanDerWaalsContact C-N 3.32Å; G334-L336 PolarHBondContact O-N 3.08Å; L336-K338 HydrophobicContact CB-CG 4.26Å; L336-K338 PolarHBondContact O-N 2.84Å; L336-A345 HydrophobicContact CB-CB 3.99Å; L336-A345 HydrophobicContact CD1-CB 3.91Å; L336-A345 HydrophobicContact CD2-CB 3.77Å; L336-A345 HydrophobicContact CG-CB 4.07Å
337	N	52.2	Low	52.1	Low	49 Å²	49	87.8 Å²	87.8	26%	0.262	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	92	168.3	-91.6	-43.7	0	0	0	104.7	K335 F346 S349 L352	K335-N337 PolarHBondContact O-N 3.3Å; N337-F346 PolarHBondContact N-O 2.97Å; N337-F346 PolarHBondContact O-N 2.81Å; N337-S349 WeakPolarHBondContact ND2-CA 3.36Å; N337-S349 WeakPolarHBondContact ND2-CB 3.35Å; N337-S349 PolarHBondContact ND2-N 2.93Å; N337-L352 HydrophobicContact CB-CB 3.58Å; N337-L352 HydrophobicContact CB-CD2 3.34Å; N337-L352 HydrophobicContact CB-CG 3.93Å; N337-L352 WeakPolarHBondContact O-CD1 3.41Å
338	K	44.7	Very low	51.9	Low	122 Å²	122	94.6 Å²	94.6	53%	0.53	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.8	177.9	-67.8	-176.3	-178.6	-176.1	0	107.7	L336 A345	L336-K338 HydrophobicContact CB-CG 4.26Å; L336-K338 PolarHBondContact O-N 2.84Å; K338-A345 HydrophobicContact CG-CB 4.45Å
339	C	50.1	Low	51.4	Low	1 Å²	1	95 Å²	95	1%	0.007	50%	0.495	C	S	.	.			trans	-80.3	117.8	166.4	177.7	0	0	0	0	108.1	E341 C342 D343 K344 L352 L359	C339-E341 PolarHBondContact O-N 3.44Å; C339-C342 PolarHBondContact O-N 2.79Å; C339-C342 VanDerWaalsContact SG-SG 3.65Å; C339-D343 WeakPolarHBondContact O-CA 3.27Å; C339-D343 PolarHBondContact O-N 3.1Å; C339-K344 PolarHBondContact N-O 3.11Å; C339-L352 HydrophobicContact CB-CD1 3.89Å; C339-L359 HydrophobicContact CB-CD1 4.48Å; C339-L359 WeakPolarHBondContact SG-CD1 3.19Å
340	E	55	Low	51.4	Low	162 Å²	162	95.8 Å²	95.8	76%	0.757	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.8	179.3	-72.9	142.3	158.8	0	0	112.9	K356	E340-K356 IonicContact OE2-NZ 3.53Å; E340-K356 PolarHBondContact OE2-NZ 3.22Å
341	E	53.3	Low	51.3	Low	127 Å²	127	95.8 Å²	95.8	59%	0.593	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-20.1	-179	-69.2	170.9	162.6	0	0	114.6	C339 L359	C339-E341 PolarHBondContact O-N 3.44Å; E341-L359 HydrophobicContact CB-CD1 4.34Å; E341-L359 WeakPolarHBondContact OE2-CB 3.41Å
342	C	51.4	Low	51.4	Low	45 Å²	45	93.7 Å²	93.7	30%	0.304	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	10.6	-177.1	75.3	0	0	0	0	115.1	C339 K344 H355	C339-C342 PolarHBondContact O-N 2.79Å; C339-C342 VanDerWaalsContact SG-SG 3.65Å; C342-K344 PolarHBondContact O-N 3.27Å; C342-H355 VanDerWaalsContact SG-CE1 3.53Å; C342-H355 PolarHBondContact SG-NE2 2.93Å
343	D	50.5	Low	51.8	Low	127 Å²	127	92.3 Å²	92.3	68%	0.679	48%	0.482	S	S	*	.			trans	54.2	12	177.7	-86.4	-36.7	0	0	0	116.4	C339 A345	C339-D343 WeakPolarHBondContact O-CA 3.27Å; C339-D343 PolarHBondContact O-N 3.1Å; D343-A345 PolarHBondContact O-N 2.97Å
344	K	48.6	Very low	52.1	Low	127 Å²	127	90.9 Å²	90.9	55%	0.552	47%	0.465	S	S	*	.			trans	-72.2	128	176.7	-74.8	176.8	-176.1	164.8	0	110.5	C339 C342 F346	C339-K344 PolarHBondContact N-O 3.11Å; C342-K344 PolarHBondContact O-N 3.27Å; K344-F346 HydrophobicContact CB-CE2 3.63Å; K344-F346 HydrophobicContact CB-CZ 3.92Å; K344-F346 VanDerWaalsContact O-CD2 3.28Å; K344-F346 WeakPolarHBondContact O-CD2 3.49Å; K344-F346 VanDerWaalsContact O-CE2 3.23Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å
345	A	47.4	Very low	53	Low	54 Å²	54	90.4 Å²	90.4	45%	0.446	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.8	-172	0	0	0	0	0	111.4	L336 K338 D343	L336-A345 HydrophobicContact CB-CB 3.99Å; L336-A345 HydrophobicContact CD1-CB 3.91Å; L336-A345 HydrophobicContact CD2-CB 3.77Å; L336-A345 HydrophobicContact CG-CB 4.07Å; K338-A345 HydrophobicContact CG-CB 4.45Å; D343-A345 PolarHBondContact O-N 2.97Å
346	F	57.4	Low	53.4	Low	41 Å²	41	84.3 Å²	84.3	18%	0.18	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.4	-175.8	-62.7	-92	0	0	0	112.7	N337 K344 R348 K351 L352 H355	N337-F346 PolarHBondContact N-O 2.97Å; N337-F346 PolarHBondContact O-N 2.81Å; K344-F346 HydrophobicContact CB-CE2 3.63Å; K344-F346 HydrophobicContact CB-CZ 3.92Å; K344-F346 VanDerWaalsContact O-CD2 3.28Å; K344-F346 WeakPolarHBondContact O-CD2 3.49Å; K344-F346 VanDerWaalsContact O-CE2 3.23Å; K344-F346 WeakPolarHBondContact O-CE2 3.49Å; F346-R348 VanDerWaalsContact C-N 3.26Å; F346-R348 PolarHBondContact O-N 3.32Å; F346-K351 HydrophobicContact CB-CB 4.41Å; F346-K351 HydrophobicContact CD1-CB 3.94Å; F346-L352 HydrophobicContact CB-CB 4.06Å; F346-L352 HydrophobicContact CD2-CB 4.14Å; F346-L352 HydrophobicContact CD2-CD1 3.69Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.24Å; F346-H355 HydrophobicContact CE1-CB 3.94Å; F346-H355 HydrophobicContact CE2-CB 3.91Å; F346-H355 AromaticContact CE2-CD2 3.06Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.27Å; F346-H355 AromaticContact CE2-CG 3.47Å; F346-H355 VanDerWaalsContact CE2-CG 3.47Å; F346-H355 AromaticContact CE2-NE2 3.54Å; F346-H355 HydrophobicContact CZ-CB 3.52Å; F346-H355 AromaticContact CZ-CD2 3.27Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.39Å; F346-H355 AromaticContact CZ-CE1 3.86Å; F346-H355 AromaticContact CZ-CG 3.15Å; F346-H355 AromaticContact CZ-ND1 3.57Å; F346-H355 AromaticContact CZ-NE2 3.65Å
347	N	46.7	Very low	54.1	Low	131 Å²	131	85.2 Å²	85.2	70%	0.701	43%	0.427	S	S	*	.	S	Bend	trans	-78.3	-0.6	-179.9	66.3	13.2	0	0	0	115
348	R	54	Low	54.3	Low	168 Å²	168	86.8 Å²	86.8	63%	0.634	43%	0.434	S	S	*	.	S	Bend	trans	-145.7	134.5	177.5	-69.8	-175.2	-177.3	-176.8	-0.5	110.1	F346 L350 K351 L352	F346-R348 VanDerWaalsContact C-N 3.26Å; F346-R348 PolarHBondContact O-N 3.32Å; R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 3.25Å; R348-K351 HydrophobicContact CB-CB 4.44Å; R348-K351 HydrophobicContact CB-CG 4.29Å; R348-K351 PolarHBondContact O-N 3.46Å; R348-L352 PolarHBondContact O-N 3.13Å
349	S	49.3	Very low	54.9	Low	70 Å²	70	84.2 Å²	84.2	49%	0.49	43%	0.426	S	S	.	.	H	α-helix	trans	-54.8	-45.8	178.1	-161.2	0	0	0	0	112.8	N337 K351 L352 T353	N337-S349 WeakPolarHBondContact ND2-CA 3.36Å; N337-S349 WeakPolarHBondContact ND2-CB 3.35Å; N337-S349 PolarHBondContact ND2-N 2.93Å; S349-K351 PolarHBondContact O-N 3.22Å; S349-K351 VanDerWaalsContact O-N 3.13Å; S349-L352 PolarHBondContact O-N 3.3Å; S349-T353 PolarHBondContact O-N 2.98Å; S349-T353 PolarHBondContact O-OG1 3.3Å
350	L	56.8	Low	55	Low	152 Å²	152	90.5 Å²	90.5	80%	0.796	46%	0.457	S	S	*	.	H	α-helix	trans	-56.5	-30.1	176.2	-89.2	149.3	0	0	0	114.1	R348 A354	R348-L350 VanDerWaalsContact C-N 3.34Å; R348-L350 PolarHBondContact O-N 3.25Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.41Å; L350-A354 VanDerWaalsContact O-N 3.15Å
351	K	56.3	Low	54.9	Low	119 Å²	119	91.1 Å²	91.1	52%	0.517	46%	0.46	S	S	.	.	H	α-helix	trans	-81.3	-34	177.5	-71	-163.7	173.2	-167.4	0	112.3	F346 R348 S349 H355	F346-K351 HydrophobicContact CB-CB 4.41Å; F346-K351 HydrophobicContact CD1-CB 3.94Å; R348-K351 HydrophobicContact CB-CB 4.44Å; R348-K351 HydrophobicContact CB-CG 4.29Å; R348-K351 PolarHBondContact O-N 3.46Å; S349-K351 PolarHBondContact O-N 3.22Å; S349-K351 VanDerWaalsContact O-N 3.13Å; K351-H355 VanDerWaalsContact O-CB 3.25Å; K351-H355 WeakPolarHBondContact O-CB 3.21Å; K351-H355 PolarHBondContact O-N 2.89Å
352	L	58	Low	54.7	Low	12 Å²	12	91.6 Å²	91.6	6%	0.063	46%	0.462	C	S	.	.	H	α-helix	trans	-65.9	-47.2	169.2	175.8	69.8	0	0	0	110.4	N337 C339 F346 R348 S349 A354 H355 K356	N337-L352 HydrophobicContact CB-CB 3.58Å; N337-L352 HydrophobicContact CB-CD2 3.34Å; N337-L352 HydrophobicContact CB-CG 3.93Å; N337-L352 WeakPolarHBondContact O-CD1 3.41Å; C339-L352 HydrophobicContact CB-CD1 3.89Å; F346-L352 HydrophobicContact CB-CB 4.06Å; F346-L352 HydrophobicContact CD2-CB 4.14Å; F346-L352 HydrophobicContact CD2-CD1 3.69Å; F346-L352 HydrophobicContact CE2-CD1 4.13Å; F346-L352 HydrophobicContact CG-CB 4.24Å; R348-L352 PolarHBondContact O-N 3.13Å; S349-L352 PolarHBondContact O-N 3.3Å; L352-A354 VanDerWaalsContact C-N 3.27Å; L352-A354 PolarHBondContact O-N 2.83Å; L352-H355 CarbonylContact O-C 3.59Å; L352-H355 WeakPolarHBondContact O-CA 3.35Å; L352-H355 WeakPolarHBondContact O-CB 3.45Å; L352-H355 PolarHBondContact O-N 3.45Å; L352-K356 HydrophobicContact CD1-CD 4.17Å; L352-K356 HydrophobicContact CD1-CG 3.81Å; L352-K356 HydrophobicContact CD2-CD 4.11Å; L352-K356 HydrophobicContact CG-CD 4.05Å; L352-K356 HydrophobicContact CG-CG 4.01Å; L352-K356 PolarHBondContact O-N 3.44Å
353	T	58.7	Low	54.9	Low	66 Å²	66	97 Å²	97	41%	0.405	48%	0.481	S	S	.	.	H	α-helix	trans	-58.4	-42.4	179.1	-46.6	0	0	0	0	110.9	S349 H355 K357	S349-T353 PolarHBondContact O-N 2.98Å; S349-T353 PolarHBondContact O-OG1 3.3Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 3.16Å; T353-K357 WeakPolarHBondContact O-CB 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.49Å; T353-K357 PolarHBondContact O-N 2.98Å
354	A	60	Low	55.6	Low	25 Å²	25	92.3 Å²	92.3	21%	0.207	46%	0.457	C	S	.	.	H	α-helix	trans	-67.7	-25	174.8	0	0	0	0	0	113.6	L350 L352 I358 N375	L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.41Å; L350-A354 VanDerWaalsContact O-N 3.15Å; L352-A354 VanDerWaalsContact C-N 3.27Å; L352-A354 PolarHBondContact O-N 2.83Å; A354-I358 VanDerWaalsContact O-CD1 3.24Å; A354-I358 WeakPolarHBondContact O-CD1 3Å; A354-I358 VanDerWaalsContact O-CG1 3.22Å; A354-I358 WeakPolarHBondContact O-CG1 3.28Å; A354-N375 HydrophobicContact CB-CB 4.29Å
355	H	63.3	Low	56.4	Low	27 Å²	27	91.3 Å²	91.3	13%	0.125	45%	0.45	C	S	.	.	H	α-helix	trans	-86.5	-40.8	178.1	170.4	72.2	0	0	0	113	C342 F346 K351 L352 T353 K357 I358 L359	C342-H355 VanDerWaalsContact SG-CE1 3.53Å; C342-H355 PolarHBondContact SG-NE2 2.93Å; F346-H355 HydrophobicContact CE1-CB 3.94Å; F346-H355 HydrophobicContact CE2-CB 3.91Å; F346-H355 AromaticContact CE2-CD2 3.06Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.27Å; F346-H355 AromaticContact CE2-CG 3.47Å; F346-H355 VanDerWaalsContact CE2-CG 3.47Å; F346-H355 AromaticContact CE2-NE2 3.54Å; F346-H355 HydrophobicContact CZ-CB 3.52Å; F346-H355 AromaticContact CZ-CD2 3.27Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.39Å; F346-H355 AromaticContact CZ-CE1 3.86Å; F346-H355 AromaticContact CZ-CG 3.15Å; F346-H355 AromaticContact CZ-ND1 3.57Å; F346-H355 AromaticContact CZ-NE2 3.65Å; K351-H355 VanDerWaalsContact O-CB 3.25Å; K351-H355 WeakPolarHBondContact O-CB 3.21Å; K351-H355 PolarHBondContact O-N 2.89Å; L352-H355 CarbonylContact O-C 3.59Å; L352-H355 WeakPolarHBondContact O-CA 3.35Å; L352-H355 WeakPolarHBondContact O-CB 3.45Å; L352-H355 PolarHBondContact O-N 3.45Å; T353-H355 VanDerWaalsContact C-N 3.27Å; T353-H355 PolarHBondContact O-N 3.16Å; H355-K357 VanDerWaalsContact C-N 3.29Å; H355-K357 PolarHBondContact O-N 2.93Å; H355-I358 WeakPolarHBondContact O-CB 3.36Å; H355-I358 PolarHBondContact O-N 3.46Å; H355-L359 PolarHBondContact O-N 3.32Å
356	K	60.1	Low	57.2	Low	61 Å²	61	92.4 Å²	92.4	27%	0.265	45%	0.445	S	S	.	.	H	α-helix	trans	-59.6	-40.5	169.8	-74.4	-169.2	164.1	-161.1	0	110.6	E340 L352 I358 L359 M360	E340-K356 IonicContact OE2-NZ 3.53Å; E340-K356 PolarHBondContact OE2-NZ 3.22Å; L352-K356 HydrophobicContact CD1-CD 4.17Å; L352-K356 HydrophobicContact CD1-CG 3.81Å; L352-K356 HydrophobicContact CD2-CD 4.11Å; L352-K356 HydrophobicContact CG-CD 4.05Å; L352-K356 HydrophobicContact CG-CG 4.01Å; L352-K356 PolarHBondContact O-N 3.44Å; K356-I358 PolarHBondContact O-N 3.13Å; K356-L359 PolarHBondContact O-N 3.31Å; K356-M360 WeakPolarHBondContact O-CG 3.23Å; K356-M360 PolarHBondContact O-N 3.49Å; K356-M360 VanDerWaalsContact O-N 3.12Å
357	K	61.6	Low	58	Low	103 Å²	103	90.5 Å²	90.5	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-20.1	172	-74.7	-177.5	177.1	-146.1	0	115	T353 H355 P364	T353-K357 WeakPolarHBondContact O-CB 3.22Å; T353-K357 WeakPolarHBondContact O-CG 3.49Å; T353-K357 PolarHBondContact O-N 2.98Å; H355-K357 VanDerWaalsContact C-N 3.29Å; H355-K357 PolarHBondContact O-N 2.93Å; K357-P364 HydrophobicContact CB-CG 4.38Å
358	I	57.6	Low	59.2	Low	83 Å²	83	91.4 Å²	91.4	43%	0.426	44%	0.437	S	S	.	.	H	α-helix	trans	-82.7	-27.3	174.2	-70.3	163.5	0	0	0	110.9	A354 H355 K356 P364 N375	A354-I358 VanDerWaalsContact O-CD1 3.24Å; A354-I358 WeakPolarHBondContact O-CD1 3Å; A354-I358 VanDerWaalsContact O-CG1 3.22Å; A354-I358 WeakPolarHBondContact O-CG1 3.28Å; H355-I358 WeakPolarHBondContact O-CB 3.36Å; H355-I358 PolarHBondContact O-N 3.46Å; K356-I358 PolarHBondContact O-N 3.13Å; I358-P364 HydrophobicContact CG1-CG 4.19Å; I358-N375 HydrophobicContact CD1-CB 4.39Å
359	L	57.6	Low	60	Low	67 Å²	67	89.2 Å²	89.2	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-83.5	-31.8	-179.8	-69.8	158.2	0	0	0	112.9	C339 E341 H355 K356 E361	C339-L359 HydrophobicContact CB-CD1 4.48Å; C339-L359 WeakPolarHBondContact SG-CD1 3.19Å; E341-L359 HydrophobicContact CB-CD1 4.34Å; E341-L359 WeakPolarHBondContact OE2-CB 3.41Å; H355-L359 PolarHBondContact O-N 3.32Å; K356-L359 PolarHBondContact O-N 3.31Å; L359-E361 PolarHBondContact O-N 2.66Å
360	M	51.5	Low	61.2	Low	133 Å²	133	88.4 Å²	88.4	66%	0.655	43%	0.428	S	S	*	.	S	Bend	trans	-82.2	18.2	-179.7	-58.9	179.3	84.2	0	0	114.6	K356 E362	K356-M360 WeakPolarHBondContact O-CG 3.23Å; K356-M360 PolarHBondContact O-N 3.49Å; K356-M360 VanDerWaalsContact O-N 3.12Å; M360-E362 PolarHBondContact O-N 3.3Å
361	E	52	Low	61.8	Low	175 Å²	175	82.9 Å²	82.9	82%	0.818	41%	0.407	S	S	*	.			trans	48.5	10.3	-176.6	-70.4	-161.4	155.3	0	0	118.2	L359 K363	L359-E361 PolarHBondContact O-N 2.66Å; E361-K363 PolarHBondContact O-N 3.23Å
362	E	50.9	Low	62.4	Low	138 Å²	138	83.3 Å²	83.3	65%	0.645	41%	0.409	S	S	*	.			trans	-71.8	83.3	165.2	-75.8	-161.7	161.6	0	0	109.7	M360 P364	M360-E362 PolarHBondContact O-N 3.3Å; E362-P364 WeakPolarHBondContact O-CD 3.26Å; E362-P364 VanDerWaalsContact O-CG 3.27Å; E362-P364 WeakPolarHBondContact O-CG 3.37Å
363	K	53.8	Low	62.8	Low	159 Å²	159	86.6 Å²	86.6	69%	0.691	43%	0.43	S	S	*	.			trans	-36.6	97.8	178.2	-70.8	173.1	-177.4	166.4	0	111.6	E361 Y365	E361-K363 PolarHBondContact O-N 3.23Å; K363-Y365 PolarHBondContact O-N 2.99Å
364	P	66.8	Low	63.4	Low	28 Å²	28	85.3 Å²	85.3	18%	0.182	42%	0.418	C	S	.	.	S	Bend	trans	-71.3	-45.1	-168.5	-19.7	32	0	0	0	110.5	K357 I358 E362	K357-P364 HydrophobicContact CB-CG 4.38Å; I358-P364 HydrophobicContact CG1-CG 4.19Å; E362-P364 WeakPolarHBondContact O-CD 3.26Å; E362-P364 VanDerWaalsContact O-CG 3.27Å; E362-P364 WeakPolarHBondContact O-CG 3.37Å
365	Y	64.9	Low	63.3	Low	105 Å²	105	88.3 Å²	88.3	41%	0.412	43%	0.431	S	S	.	.	S	Bend	trans	-162.5	97.7	169.8	-67.5	-64.3	0	0	0	108.9	K363 F374 F377 L380	K363-Y365 PolarHBondContact O-N 2.99Å; Y365-F374 PolarHBondContact N-O 3.22Å; Y365-F374 PolarHBondContact O-N 3.46Å; Y365-F377 HydrophobicContact CD1-CB 4.08Å; Y365-F377 AromaticContact CD1-CD2 3.49Å; Y365-F377 HydrophobicContact CD1-CD2 3.49Å; Y365-F377 VanDerWaalsContact CD1-CD2 3.49Å; Y365-F377 HydrophobicContact CD1-CE2 4.42Å; Y365-F377 HydrophobicContact CD1-CG 4.26Å; Y365-F377 HydrophobicContact CD2-CB 3.93Å; Y365-F377 HydrophobicContact CE1-CB 3.9Å; Y365-F377 AromaticContact CE1-CD2 3.63Å; Y365-F377 HydrophobicContact CE1-CD2 3.63Å; Y365-F377 HydrophobicContact CE1-CG 4.16Å; Y365-F377 HydrophobicContact CE2-CB 3.76Å; Y365-F377 HydrophobicContact CG-CB 4.1Å; Y365-F377 HydrophobicContact CG-CD2 4.12Å; Y365-L380 HydrophobicContact CG-CD2 4.43Å
366	K	63.7	Low	63.5	Low	78 Å²	78	92.2 Å²	92.2	34%	0.339	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-86.4	140.1	177.7	-170.8	179.5	176.3	-173.2	0	110.1	V373 L380	K366-V373 HydrophobicContact CG-CG2 4.44Å; K366-L380 WeakPolarHBondContact O-CD2 3.23Å
367	C	74.2	Confident	63.7	Low	0 Å²	0	94.9 Å²	94.9	0%	0	46%	0.461	C	S	.	.			trans	-81.9	114.2	166.1	179.9	0	0	0	0	109	E369 C370 G371 K372 F374 L380 H387	C367-E369 PolarHBondContact O-N 2.85Å; C367-C370 PolarHBondContact O-N 3.3Å; C367-C370 VanDerWaalsContact SG-SG 3.62Å; C367-G371 VanDerWaalsContact O-CA 3.26Å; C367-G371 WeakPolarHBondContact O-CA 3.34Å; C367-G371 PolarHBondContact O-N 3.31Å; C367-K372 PolarHBondContact N-O 2.95Å; C367-F374 HydrophobicContact CB-CE2 4.15Å; C367-L380 HydrophobicContact CB-CD1 3.59Å; C367-H387 PolarHBondContact SG-CD2 2.86Å; C367-H387 PolarHBondContact SG-NE2 3.23Å
368	E	72.4	Confident	64.1	Low	150 Å²	150	93.5 Å²	93.5	70%	0.701	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.3	179.4	-59.8	-52.3	141	0	0	112.7
369	E	70	Confident	64.7	Low	122 Å²	122	90.6 Å²	90.6	57%	0.57	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-24.1	-176.1	-66.4	174	-125.4	0	0	114.8	C367 H387	C367-E369 PolarHBondContact O-N 2.85Å; E369-H387 WeakPolarHBondContact OE2-CB 3.44Å; E369-H387 IonicContact OE2-CD2 3.2Å; E369-H387 IonicContact OE2-CG 3.85Å
370	C	74.4	Confident	65.5	Low	54 Å²	54	87.7 Å²	87.7	37%	0.365	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	7.8	-178.1	75.1	0	0	0	0	115	C367 K372 H383 H387	C367-C370 PolarHBondContact O-N 3.3Å; C367-C370 VanDerWaalsContact SG-SG 3.62Å; C370-K372 PolarHBondContact O-N 3.3Å; C370-H383 PolarHBondContact SG-NE2 3.15Å; C370-H387 VanDerWaalsContact SG-CE1 3.56Å; C370-H387 PolarHBondContact SG-NE2 3.05Å
371	G	69.4	Low	66.4	Low	36 Å²	36	84.2 Å²	84.2	37%	0.371	42%	0.422	S	S	.	.			trans	69.2	-3.8	177.7	0	0	0	0	0	116.1	C367 V373	C367-G371 VanDerWaalsContact O-CA 3.26Å; C367-G371 WeakPolarHBondContact O-CA 3.34Å; C367-G371 PolarHBondContact O-N 3.31Å; G371-V373 PolarHBondContact O-N 3.43Å
372	K	69.6	Low	67.4	Low	128 Å²	128	81.7 Å²	81.7	56%	0.557	41%	0.405	S	S	*	.			trans	-66	133	-178	-73.2	-179.3	-178.1	174.2	0	111.6	C367 C370 F374	C367-K372 PolarHBondContact N-O 2.95Å; C370-K372 PolarHBondContact O-N 3.3Å; K372-F374 HydrophobicContact CB-CE2 3.66Å; K372-F374 HydrophobicContact CB-CZ 3.86Å; K372-F374 WeakPolarHBondContact O-CD2 3.27Å; K372-F374 WeakPolarHBondContact O-CE2 3.09Å
373	V	67.1	Low	68.6	Low	81 Å²	81	75.9 Å²	75.9	49%	0.491	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-99.3	132.9	-179.5	-174.9	0	0	0	0	110.1	K366 G371	K366-V373 HydrophobicContact CG-CG2 4.44Å; G371-V373 PolarHBondContact O-N 3.43Å
374	F	71	Confident	69.6	Low	39 Å²	39	72.3 Å²	72.3	17%	0.171	36%	0.362	C	S	.	.			trans	-117.5	145.8	-178.8	-64.5	-88.1	0	0	0	111.1	Y365 C367 K372 Q376 L380 H383	Y365-F374 PolarHBondContact N-O 3.22Å; Y365-F374 PolarHBondContact O-N 3.46Å; C367-F374 HydrophobicContact CB-CE2 4.15Å; K372-F374 HydrophobicContact CB-CE2 3.66Å; K372-F374 HydrophobicContact CB-CZ 3.86Å; K372-F374 WeakPolarHBondContact O-CD2 3.27Å; K372-F374 WeakPolarHBondContact O-CE2 3.09Å; F374-Q376 VanDerWaalsContact C-N 3.33Å; F374-L380 HydrophobicContact CB-CB 4.04Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.56Å; F374-L380 HydrophobicContact CD2-CG 4.34Å; F374-L380 HydrophobicContact CE2-CD1 3.84Å; F374-L380 HydrophobicContact CG-CB 4.07Å; F374-H383 HydrophobicContact CE1-CB 3.75Å; F374-H383 AromaticContact CE1-CG 3.9Å; F374-H383 HydrophobicContact CE2-CB 3.91Å; F374-H383 AromaticContact CE2-CD2 3.25Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.39Å; F374-H383 AromaticContact CE2-CG 3.56Å; F374-H383 AromaticContact CE2-NE2 3.86Å; F374-H383 HydrophobicContact CZ-CB 3.4Å; F374-H383 VanDerWaalsContact CZ-CB 3.4Å; F374-H383 AromaticContact CZ-CD2 3.27Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CE1 3.95Å; F374-H383 AromaticContact CZ-CG 3.08Å; F374-H383 AromaticContact CZ-ND1 3.55Å; F374-H383 AromaticContact CZ-NE2 3.78Å
375	N	57.7	Low	69.9	Low	88 Å²	88	72.5 Å²	72.5	47%	0.471	36%	0.361	S	S	.	.	S	Bend	trans	-84.2	-7	-179.9	62.9	11.6	0	0	0	113.8	A354 I358	A354-N375 HydrophobicContact CB-CB 4.29Å; I358-N375 HydrophobicContact CD1-CB 4.39Å
376	Q	66.3	Low	70.1	Confident	108 Å²	108	72.6 Å²	72.6	51%	0.505	37%	0.367	S	S	.	.	S	Bend	trans	-147.2	136.6	-179.8	-66.4	-179.1	-1.6	0	0	110.3	F374 S378 T379 L380	F374-Q376 VanDerWaalsContact C-N 3.33Å; Q376-S378 VanDerWaalsContact C-N 3.3Å; Q376-S378 PolarHBondContact O-N 3.48Å; Q376-T379 HydrophobicContact CB-CG2 4.07Å; Q376-T379 PolarHBondContact O-N 3.1Å; Q376-T379 PolarHBondContact O-OG1 3.45Å; Q376-L380 PolarHBondContact O-N 3.29Å; Q376-L380 VanDerWaalsContact O-N 3.15Å
377	F	65.6	Low	70.5	Confident	118 Å²	118	72 Å²	72	52%	0.518	37%	0.366	S	S	.	.	H	α-helix	trans	-56.2	-43.3	177.8	-175.9	-108.1	0	0	0	112.1	Y365 T379 L380 T381	Y365-F377 HydrophobicContact CD1-CB 4.08Å; Y365-F377 AromaticContact CD1-CD2 3.49Å; Y365-F377 HydrophobicContact CD1-CD2 3.49Å; Y365-F377 VanDerWaalsContact CD1-CD2 3.49Å; Y365-F377 HydrophobicContact CD1-CE2 4.42Å; Y365-F377 HydrophobicContact CD1-CG 4.26Å; Y365-F377 HydrophobicContact CD2-CB 3.93Å; Y365-F377 HydrophobicContact CE1-CB 3.9Å; Y365-F377 AromaticContact CE1-CD2 3.63Å; Y365-F377 HydrophobicContact CE1-CD2 3.63Å; Y365-F377 HydrophobicContact CE1-CG 4.16Å; Y365-F377 HydrophobicContact CE2-CB 3.76Å; Y365-F377 HydrophobicContact CG-CB 4.1Å; Y365-F377 HydrophobicContact CG-CD2 4.12Å; F377-T379 PolarHBondContact O-N 2.81Å; F377-T379 VanDerWaalsContact O-N 3.12Å; F377-L380 CarbonylContact O-C 3.33Å; F377-L380 WeakPolarHBondContact O-CA 3.45Å; F377-L380 WeakPolarHBondContact O-CB 3.35Å; F377-L380 PolarHBondContact O-N 3.08Å; F377-T381 WeakPolarHBondContact CE1-OG1 3.41Å; F377-T381 PolarHBondContact O-N 2.95Å; F377-T381 PolarHBondContact O-OG1 3.12Å
378	S	69.1	Low	70.1	Confident	73 Å²	73	75.5 Å²	75.5	51%	0.51	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-31	176.9	60.2	0	0	0	0	113.5	Q376 R382	Q376-S378 VanDerWaalsContact C-N 3.3Å; Q376-S378 PolarHBondContact O-N 3.48Å; S378-R382 WeakPolarHBondContact O-CB 3.4Å; S378-R382 PolarHBondContact O-N 2.9Å; S378-R382 VanDerWaalsContact O-N 3.16Å
379	T	71.6	Confident	69.7	Low	22 Å²	22	70.7 Å²	70.7	14%	0.135	38%	0.378	C	S	.	.	H	α-helix	trans	-80.5	-33.7	176.3	63.8	0	0	0	0	112.5	Q376 F377 H383	Q376-T379 HydrophobicContact CB-CG2 4.07Å; Q376-T379 PolarHBondContact O-N 3.1Å; Q376-T379 PolarHBondContact O-OG1 3.45Å; F377-T379 PolarHBondContact O-N 2.81Å; F377-T379 VanDerWaalsContact O-N 3.12Å; T379-H383 VanDerWaalsContact O-CB 3.29Å; T379-H383 WeakPolarHBondContact O-CB 3.48Å; T379-H383 PolarHBondContact O-N 2.87Å
380	L	74.3	Confident	69.7	Low	6 Å²	6	70.5 Å²	70.5	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-65.5	-48.6	169.3	173.5	64.4	0	0	0	110.6	Y365 K366 C367 F374 Q376 F377 R382 H383 K384	Y365-L380 HydrophobicContact CG-CD2 4.43Å; K366-L380 WeakPolarHBondContact O-CD2 3.23Å; C367-L380 HydrophobicContact CB-CD1 3.59Å; F374-L380 HydrophobicContact CB-CB 4.04Å; F374-L380 HydrophobicContact CD2-CB 3.94Å; F374-L380 HydrophobicContact CD2-CD1 3.56Å; F374-L380 HydrophobicContact CD2-CG 4.34Å; F374-L380 HydrophobicContact CE2-CD1 3.84Å; F374-L380 HydrophobicContact CG-CB 4.07Å; Q376-L380 PolarHBondContact O-N 3.29Å; Q376-L380 VanDerWaalsContact O-N 3.15Å; F377-L380 CarbonylContact O-C 3.33Å; F377-L380 WeakPolarHBondContact O-CA 3.45Å; F377-L380 WeakPolarHBondContact O-CB 3.35Å; F377-L380 PolarHBondContact O-N 3.08Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 2.89Å; L380-H383 CarbonylContact O-C 3.25Å; L380-H383 WeakPolarHBondContact O-CA 3.46Å; L380-H383 WeakPolarHBondContact O-CB 3.47Å; L380-H383 PolarHBondContact O-N 2.99Å; L380-K384 HydrophobicContact CD1-CG 4.14Å; L380-K384 HydrophobicContact CG-CD 4.43Å; L380-K384 HydrophobicContact CG-CG 4.33Å; L380-K384 WeakPolarHBondContact O-CG 3.32Å; L380-K384 PolarHBondContact O-N 2.84Å
381	T	70.4	Confident	69.7	Low	61 Å²	61	73.8 Å²	73.8	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-56.5	-45.4	178	-49.2	0	0	0	0	110.7	F377 H383 K384 I385	F377-T381 WeakPolarHBondContact CE1-OG1 3.41Å; F377-T381 PolarHBondContact O-N 2.95Å; F377-T381 PolarHBondContact O-OG1 3.12Å; T381-H383 VanDerWaalsContact C-N 3.28Å; T381-H383 PolarHBondContact O-N 3.48Å; T381-K384 PolarHBondContact O-N 3.14Å; T381-I385 WeakPolarHBondContact O-CG1 3.43Å; T381-I385 PolarHBondContact O-N 3.3Å
382	R	71.3	Confident	70	Confident	121 Å²	121	75.5 Å²	75.5	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-32.7	174.4	-177.5	175.4	64.1	-165.6	-5.3	113.1	S378 L380 Q404	S378-R382 WeakPolarHBondContact O-CB 3.4Å; S378-R382 PolarHBondContact O-N 2.9Å; S378-R382 VanDerWaalsContact O-N 3.16Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 2.89Å; R382-Q404 HydrophobicContact CG-CG 4.45Å
383	H	77.3	Confident	70.3	Confident	17 Å²	17	74 Å²	74	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-73.5	-37.6	176.6	170.7	71.3	0	0	0	112.2	C370 F374 T379 L380 T381 I385 I386 H387	C370-H383 PolarHBondContact SG-NE2 3.15Å; F374-H383 HydrophobicContact CE1-CB 3.75Å; F374-H383 AromaticContact CE1-CG 3.9Å; F374-H383 HydrophobicContact CE2-CB 3.91Å; F374-H383 AromaticContact CE2-CD2 3.25Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.39Å; F374-H383 AromaticContact CE2-CG 3.56Å; F374-H383 AromaticContact CE2-NE2 3.86Å; F374-H383 HydrophobicContact CZ-CB 3.4Å; F374-H383 VanDerWaalsContact CZ-CB 3.4Å; F374-H383 AromaticContact CZ-CD2 3.27Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.35Å; F374-H383 AromaticContact CZ-CE1 3.95Å; F374-H383 AromaticContact CZ-CG 3.08Å; F374-H383 AromaticContact CZ-ND1 3.55Å; F374-H383 AromaticContact CZ-NE2 3.78Å; T379-H383 VanDerWaalsContact O-CB 3.29Å; T379-H383 WeakPolarHBondContact O-CB 3.48Å; T379-H383 PolarHBondContact O-N 2.87Å; L380-H383 CarbonylContact O-C 3.25Å; L380-H383 WeakPolarHBondContact O-CA 3.46Å; L380-H383 WeakPolarHBondContact O-CB 3.47Å; L380-H383 PolarHBondContact O-N 2.99Å; T381-H383 VanDerWaalsContact C-N 3.28Å; T381-H383 PolarHBondContact O-N 3.48Å; H383-I385 PolarHBondContact O-N 2.82Å; H383-I386 WeakPolarHBondContact O-CB 3.28Å; H383-I386 WeakPolarHBondContact O-CG1 3.34Å; H383-I386 PolarHBondContact O-N 2.8Å; H383-H387 AromaticContact CD2-NE2 3.82Å; H383-H387 AromaticContact CE1-CE1 3.96Å; H383-H387 AromaticContact CE1-NE2 3.56Å; H383-H387 AromaticContact NE2-CD2 3.97Å; H383-H387 AromaticContact NE2-CE1 3.82Å; H383-H387 AromaticContact NE2-NE2 3.05Å; H383-H387 PolarHBondContact NE2-NE2 3.24Å
384	K	73.6	Confident	70.7	Confident	84 Å²	84	77.2 Å²	77.2	37%	0.365	39%	0.389	S	S	.	.	H	α-helix	trans	-57.9	-32.9	175.3	-72.7	-173.8	174	-168.4	0	112.4	L380 T381 I386 H387 T388	L380-K384 HydrophobicContact CD1-CG 4.14Å; L380-K384 HydrophobicContact CG-CD 4.43Å; L380-K384 HydrophobicContact CG-CG 4.33Å; L380-K384 WeakPolarHBondContact O-CG 3.32Å; L380-K384 PolarHBondContact O-N 2.84Å; T381-K384 PolarHBondContact O-N 3.14Å; K384-I386 PolarHBondContact O-N 2.97Å; K384-I386 VanDerWaalsContact O-N 3.11Å; K384-H387 PolarHBondContact O-N 2.82Å; K384-T388 PolarHBondContact O-N 3.28Å; K384-T388 VanDerWaalsContact O-N 3.11Å
385	I	74.3	Confident	71.1	Confident	31 Å²	31	75.5 Å²	75.5	16%	0.159	38%	0.381	C	S	.	.	H	α-helix	trans	-57.9	-24	173	-61.5	172.5	0	0	0	112.5	T381 H383 G389 E390 N403	T381-I385 WeakPolarHBondContact O-CG1 3.43Å; T381-I385 PolarHBondContact O-N 3.3Å; H383-I385 PolarHBondContact O-N 2.82Å; I385-G389 PolarHBondContact O-N 2.97Å; I385-E390 HydrophobicContact CG2-CB 4.42Å; I385-E390 WeakPolarHBondContact CG2-O 3.39Å; I385-N403 HydrophobicContact CG2-CB 3.96Å
386	I	69	Low	71.8	Confident	107 Å²	107	81 Å²	81	55%	0.549	40%	0.401	S	S	.	.	H	α-helix	trans	-71.3	-36.5	176.7	-58.2	176.2	0	0	0	110.9	H383 K384	H383-I386 WeakPolarHBondContact O-CB 3.28Å; H383-I386 WeakPolarHBondContact O-CG1 3.34Å; H383-I386 PolarHBondContact O-N 2.8Å; K384-I386 PolarHBondContact O-N 2.97Å; K384-I386 VanDerWaalsContact O-N 3.11Å
387	H	70.9	Confident	72.1	Confident	65 Å²	65	81.7 Å²	81.7	30%	0.301	41%	0.405	S	S	.	.	H	α-helix	trans	-83.4	-39.5	-178.4	-53.3	-57.5	0	0	0	112.6	C367 E369 C370 H383 K384 G389	C367-H387 PolarHBondContact SG-CD2 2.86Å; C367-H387 PolarHBondContact SG-NE2 3.23Å; E369-H387 WeakPolarHBondContact OE2-CB 3.44Å; E369-H387 IonicContact OE2-CD2 3.2Å; E369-H387 IonicContact OE2-CG 3.85Å; C370-H387 VanDerWaalsContact SG-CE1 3.56Å; C370-H387 PolarHBondContact SG-NE2 3.05Å; H383-H387 AromaticContact CD2-NE2 3.82Å; H383-H387 AromaticContact CE1-CE1 3.96Å; H383-H387 AromaticContact CE1-NE2 3.56Å; H383-H387 AromaticContact NE2-CD2 3.97Å; H383-H387 AromaticContact NE2-CE1 3.82Å; H383-H387 AromaticContact NE2-NE2 3.05Å; H383-H387 PolarHBondContact NE2-NE2 3.24Å; K384-H387 PolarHBondContact O-N 2.82Å; H387-G389 PolarHBondContact O-N 3.38Å
388	T	66.9	Low	72.3	Confident	74 Å²	74	78.6 Å²	78.6	45%	0.454	40%	0.397	S	S	.	.	S	Bend	trans	-69	-13.7	174.1	64.1	0	0	0	0	112.5	K384 E390	K384-T388 PolarHBondContact O-N 3.28Å; K384-T388 VanDerWaalsContact O-N 3.11Å; T388-E390 PolarHBondContact O-N 3.07Å; T388-E390 WeakPolarHBondContact OG1-CG 3.5Å
389	G	64.8	Low	72.4	Confident	49 Å²	49	77.8 Å²	77.8	51%	0.505	40%	0.4	S	S	.	.			trans	65.7	3.8	-176.8	0	0	0	0	0	113.8	I385 H387	I385-G389 PolarHBondContact O-N 2.97Å; H387-G389 PolarHBondContact O-N 3.38Å
390	E	69.6	Low	72.4	Confident	118 Å²	118	82.9 Å²	82.9	55%	0.551	42%	0.42	S	S	*	.			trans	-62.3	139.1	-177.3	-72.9	-175.3	172.9	0	0	110.5	I385 T388 P392	I385-E390 HydrophobicContact CG2-CB 4.42Å; I385-E390 WeakPolarHBondContact CG2-O 3.39Å; T388-E390 PolarHBondContact O-N 3.07Å; T388-E390 WeakPolarHBondContact OG1-CG 3.5Å; E390-P392 WeakPolarHBondContact O-CD 3.49Å
391	K	73.6	Confident	72.6	Confident	123 Å²	123	84 Å²	84	54%	0.535	43%	0.431	S	S	.	.			trans	-126.5	78.3	176.2	-70.4	169.1	179.9	175.5	0	108.1	Y393 A401 F402	K391-Y393 PolarHBondContact O-N 3.43Å; K391-Y393 VanDerWaalsContact O-N 3.12Å; K391-A401 HydrophobicContact CB-CB 3.33Å; K391-A401 HydrophobicContact CD-CB 3.97Å; K391-A401 WeakPolarHBondContact CD-O 3.37Å; K391-A401 HydrophobicContact CG-CB 4.26Å; K391-F402 CarbonylContact C-O 3.57Å; K391-F402 VanDerWaalsContact C-O 3.31Å; K391-F402 WeakPolarHBondContact CA-O 3.29Å
392	P	75.4	Confident	73	Confident	72 Å²	72	83.2 Å²	83.2	47%	0.468	42%	0.422	S	S	.	.			trans	-62.6	-24.8	-169.7	-23.4	34.5	0	0	0	113.3	E390 K394	E390-P392 WeakPolarHBondContact O-CD 3.49Å; P392-K394 PolarHBondContact O-N 3.18Å
393	Y	77.1	Confident	73	Confident	97 Å²	97	80.4 Å²	80.4	38%	0.38	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	88	-173.8	-56.2	-74.4	0	0	0	110.4	K391 F402	K391-Y393 PolarHBondContact O-N 3.43Å; K391-Y393 VanDerWaalsContact O-N 3.12Å; Y393-F402 WeakPolarHBondContact CB-O 3.43Å; Y393-F402 PolarHBondContact N-O 3.12Å; Y393-F402 VanDerWaalsContact N-O 3.09Å; Y393-F402 PolarHBondContact O-N 3.25Å
394	K	76.1	Confident	72.9	Confident	148 Å²	148	82.3 Å²	82.3	64%	0.643	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.7	178.7	-60.5	-175.1	-178.5	177.7	0	112.3	P392 A401	P392-K394 PolarHBondContact O-N 3.18Å; K394-A401 HydrophobicContact CG-CB 3.8Å
395	C	78.3	Confident	72.8	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.02	43%	0.428	C	S	.	.			trans	-76.8	123.2	169.7	-177.9	0	0	0	0	109.6	E397 G399 K400 L408 H415	C395-E397 VanDerWaalsContact C-N 3.29Å; C395-E397 PolarHBondContact O-N 2.76Å; C395-G399 WeakPolarHBondContact O-CA 2.98Å; C395-G399 PolarHBondContact O-N 3.13Å; C395-K400 VanDerWaalsContact CB-O 3.26Å; C395-K400 WeakPolarHBondContact CB-O 3.42Å; C395-K400 PolarHBondContact N-O 2.86Å; C395-L408 HydrophobicContact CB-CD1 3.7Å; C395-H415 VanDerWaalsContact SG-CD2 3.54Å; C395-H415 PolarHBondContact SG-NE2 3.06Å; C395-H415 VanDerWaalsContact SG-NE2 3.38Å
396	K	73.3	Confident	72.9	Confident	204 Å²	204	82.8 Å²	82.8	89%	0.887	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.8	178.3	-64.6	-170.5	176.3	-171.3	0	112.9
397	E	70.8	Confident	73.2	Confident	123 Å²	123	80.3 Å²	80.3	58%	0.575	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-31.5	-173.8	-67.5	163.3	163.4	0	0	113.4	C395 H415	C395-E397 VanDerWaalsContact C-N 3.29Å; C395-E397 PolarHBondContact O-N 2.76Å; E397-H415 WeakPolarHBondContact OE2-CB 2.91Å; E397-H415 IonicContact OE2-CD2 3.86Å; E397-H415 PolarHBondContact OE2-CD2 3.26Å; E397-H415 IonicContact OE2-CG 3.08Å
398	C	69.9	Low	73.4	Confident	52 Å²	52	78.1 Å²	78.1	35%	0.351	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	11.2	-178.6	82.8	0	0	0	0	114.4	K400 H411 H415	C398-K400 PolarHBondContact O-N 3.04Å; C398-K400 VanDerWaalsContact SG-CG 3.6Å; C398-H411 VanDerWaalsContact SG-CE1 3.57Å; C398-H411 PolarHBondContact SG-NE2 3.4Å; C398-H415 VanDerWaalsContact CB-CE1 3.45Å; C398-H415 WeakPolarHBondContact CB-CE1 3.44Å; C398-H415 VanDerWaalsContact SG-CE1 3.53Å; C398-H415 PolarHBondContact SG-NE2 3.3Å
399	G	72.4	Confident	73.6	Confident	56 Å²	56	78.7 Å²	78.7	58%	0.577	42%	0.424	S	S	*	.			trans	67.3	-6	178.5	0	0	0	0	0	115.9	C395 A401	C395-G399 WeakPolarHBondContact O-CA 2.98Å; C395-G399 PolarHBondContact O-N 3.13Å; G399-A401 PolarHBondContact O-N 3.05Å
400	K	71.6	Confident	73.8	Confident	130 Å²	130	79.1 Å²	79.1	57%	0.565	41%	0.412	S	S	*	.			trans	-66.2	129.3	-177.5	-76	-177.7	-179.3	176.2	0	110.9	C395 C398 F402	C395-K400 VanDerWaalsContact CB-O 3.26Å; C395-K400 WeakPolarHBondContact CB-O 3.42Å; C395-K400 PolarHBondContact N-O 2.86Å; C398-K400 PolarHBondContact O-N 3.04Å; C398-K400 VanDerWaalsContact SG-CG 3.6Å; K400-F402 HydrophobicContact CB-CE2 3.93Å; K400-F402 HydrophobicContact CB-CZ 4.1Å; K400-F402 WeakPolarHBondContact O-CE2 3.49Å
401	A	77.8	Confident	74	Confident	30 Å²	30	74.3 Å²	74.3	25%	0.248	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.8	-175.9	0	0	0	0	0	111.5	K391 K394 G399	K391-A401 HydrophobicContact CB-CB 3.33Å; K391-A401 HydrophobicContact CD-CB 3.97Å; K391-A401 WeakPolarHBondContact CD-O 3.37Å; K391-A401 HydrophobicContact CG-CB 4.26Å; K394-A401 HydrophobicContact CG-CB 3.8Å; G399-A401 PolarHBondContact O-N 3.05Å
402	F	79.3	Confident	73.8	Confident	44 Å²	44	73 Å²	73	19%	0.193	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.6	-177.6	-59.2	-90.2	0	0	0	111.1	K391 Y393 K400 N407 L408 H411	K391-F402 CarbonylContact C-O 3.57Å; K391-F402 VanDerWaalsContact C-O 3.31Å; K391-F402 WeakPolarHBondContact CA-O 3.29Å; Y393-F402 WeakPolarHBondContact CB-O 3.43Å; Y393-F402 PolarHBondContact N-O 3.12Å; Y393-F402 VanDerWaalsContact N-O 3.09Å; Y393-F402 PolarHBondContact O-N 3.25Å; K400-F402 HydrophobicContact CB-CE2 3.93Å; K400-F402 HydrophobicContact CB-CZ 4.1Å; K400-F402 WeakPolarHBondContact O-CE2 3.49Å; F402-N407 HydrophobicContact CB-CB 4.18Å; F402-N407 HydrophobicContact CD1-CB 3.93Å; F402-N407 HydrophobicContact CG-CB 4.28Å; F402-L408 HydrophobicContact CB-CB 4.37Å; F402-L408 HydrophobicContact CD2-CB 3.99Å; F402-L408 HydrophobicContact CD2-CD1 3.83Å; F402-L408 HydrophobicContact CE2-CD1 4.08Å; F402-L408 HydrophobicContact CG-CB 4.38Å; F402-H411 HydrophobicContact CE1-CB 3.99Å; F402-H411 HydrophobicContact CE2-CB 3.69Å; F402-H411 AromaticContact CE2-CD2 3.32Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.45Å; F402-H411 AromaticContact CE2-CG 3.42Å; F402-H411 VanDerWaalsContact CE2-CG 3.42Å; F402-H411 AromaticContact CE2-NE2 3.96Å; F402-H411 HydrophobicContact CZ-CB 3.38Å; F402-H411 AromaticContact CZ-CD2 3.55Å; F402-H411 AromaticContact CZ-CG 3.16Å; F402-H411 AromaticContact CZ-ND1 3.53Å
403	N	71.9	Confident	73.6	Confident	61 Å²	61	72.5 Å²	72.5	33%	0.326	38%	0.375	S	S	.	.	S	Bend	trans	-83.5	-11.2	177.1	59.2	8.1	0	0	0	113.6	I385 N407	I385-N403 HydrophobicContact CG2-CB 3.96Å; N403-N407 PolarHBondContact OD1-ND2 3.4Å
404	Q	74.4	Confident	73	Confident	57 Å²	57	72.7 Å²	72.7	27%	0.266	38%	0.381	S	S	.	.	S	Bend	trans	-137.4	141.8	178.9	-61.6	178.8	29.5	0	0	110.7	R382 S406 N407 L408	R382-Q404 HydrophobicContact CG-CG 4.45Å; Q404-S406 VanDerWaalsContact C-N 3.33Å; Q404-S406 PolarHBondContact O-N 3.12Å; Q404-N407 HydrophobicContact CB-CB 4.42Å; Q404-N407 WeakPolarHBondContact O-CB 3.37Å; Q404-N407 PolarHBondContact O-N 3.26Å; Q404-L408 PolarHBondContact O-N 3.13Å
405	S	72.6	Confident	72.4	Confident	63 Å²	63	69 Å²	69	44%	0.441	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-37.9	178.4	58.6	0	0	0	0	112.5	N407 L408 T409	S405-N407 VanDerWaalsContact C-N 3.27Å; S405-N407 PolarHBondContact O-N 2.96Å; S405-L408 PolarHBondContact O-N 2.98Å; S405-T409 PolarHBondContact O-N 2.94Å; S405-T409 PolarHBondContact O-OG1 3.5Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å
406	S	74.6	Confident	71.4	Confident	63 Å²	63	72.6 Å²	72.6	44%	0.441	39%	0.388	S	S	.	.	H	α-helix	trans	-58.7	-38.5	175.3	53.6	0	0	0	0	112.6	Q404 T409 E410	Q404-S406 VanDerWaalsContact C-N 3.33Å; Q404-S406 PolarHBondContact O-N 3.12Å; S406-T409 PolarHBondContact O-N 2.79Å; S406-E410 WeakPolarHBondContact O-CB 3.49Å; S406-E410 PolarHBondContact O-N 3.33Å
407	N	75.3	Confident	70.6	Confident	55 Å²	55	66.4 Å²	66.4	29%	0.294	38%	0.375	S	S	.	.	H	α-helix	trans	-70.9	-37.8	179.2	-63.2	-10.7	0	0	0	110.9	F402 N403 Q404 S405 E410 H411	F402-N407 HydrophobicContact CB-CB 4.18Å; F402-N407 HydrophobicContact CD1-CB 3.93Å; F402-N407 HydrophobicContact CG-CB 4.28Å; N403-N407 PolarHBondContact OD1-ND2 3.4Å; Q404-N407 HydrophobicContact CB-CB 4.42Å; Q404-N407 WeakPolarHBondContact O-CB 3.37Å; Q404-N407 PolarHBondContact O-N 3.26Å; S405-N407 VanDerWaalsContact C-N 3.27Å; S405-N407 PolarHBondContact O-N 2.96Å; N407-E410 PolarHBondContact O-N 3.38Å; N407-H411 VanDerWaalsContact O-CB 3.23Å; N407-H411 WeakPolarHBondContact O-CB 3.23Å; N407-H411 PolarHBondContact O-N 2.82Å
408	L	75.9	Confident	69.9	Low	19 Å²	19	66.5 Å²	66.5	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-65.2	-44.8	172	174.7	63.5	0	0	0	111.3	C395 F402 Q404 S405 E410 H411 K412	C395-L408 HydrophobicContact CB-CD1 3.7Å; F402-L408 HydrophobicContact CB-CB 4.37Å; F402-L408 HydrophobicContact CD2-CB 3.99Å; F402-L408 HydrophobicContact CD2-CD1 3.83Å; F402-L408 HydrophobicContact CE2-CD1 4.08Å; F402-L408 HydrophobicContact CG-CB 4.38Å; Q404-L408 PolarHBondContact O-N 3.13Å; S405-L408 PolarHBondContact O-N 2.98Å; L408-E410 VanDerWaalsContact C-N 3.27Å; L408-E410 PolarHBondContact O-N 3.2Å; L408-H411 PolarHBondContact O-N 3.27Å; L408-K412 HydrophobicContact CD1-CG 4.3Å; L408-K412 WeakPolarHBondContact O-CG 3.2Å; L408-K412 PolarHBondContact O-N 2.9Å
409	T	72.1	Confident	69.3	Low	86 Å²	86	69.9 Å²	69.9	53%	0.528	38%	0.384	S	S	.	.	H	α-helix	trans	-59.7	-39.9	176.6	-56.4	0	0	0	0	111.4	S405 S406	S405-T409 PolarHBondContact O-N 2.94Å; S405-T409 PolarHBondContact O-OG1 3.5Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å; S406-T409 PolarHBondContact O-N 2.79Å
410	E	67.9	Low	68.7	Low	58 Å²	58	70.1 Å²	70.1	27%	0.271	38%	0.377	S	S	.	.	H	α-helix	trans	-69	-42.7	175.3	-162.4	-162.3	137.5	0	0	112.3	S406 N407 L408 K412 K413 Q432	S406-E410 WeakPolarHBondContact O-CB 3.49Å; S406-E410 PolarHBondContact O-N 3.33Å; N407-E410 PolarHBondContact O-N 3.38Å; L408-E410 VanDerWaalsContact C-N 3.27Å; L408-E410 PolarHBondContact O-N 3.2Å; E410-K412 VanDerWaalsContact C-N 3.32Å; E410-K412 PolarHBondContact O-N 3.42Å; E410-K413 VanDerWaalsContact O-CB 3.3Å; E410-K413 WeakPolarHBondContact O-CB 3.4Å; E410-K413 PolarHBondContact O-N 3.11Å; E410-K413 VanDerWaalsContact O-N 3.13Å; E410-Q432 HydrophobicContact CG-CG 4.44Å; E410-Q432 WeakPolarHBondContact OE1-CG 3.47Å; E410-Q432 PolarHBondContact OE1-NE2 2.83Å; E410-Q432 PolarHBondContact OE2-NE2 3.11Å
411	H	73.6	Confident	68.4	Low	17 Å²	17	66.8 Å²	66.8	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-38.6	176.8	170.1	69.9	0	0	0	112.5	C398 F402 N407 L408 K413 I414 H415	C398-H411 VanDerWaalsContact SG-CE1 3.57Å; C398-H411 PolarHBondContact SG-NE2 3.4Å; F402-H411 HydrophobicContact CE1-CB 3.99Å; F402-H411 HydrophobicContact CE2-CB 3.69Å; F402-H411 AromaticContact CE2-CD2 3.32Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.45Å; F402-H411 AromaticContact CE2-CG 3.42Å; F402-H411 VanDerWaalsContact CE2-CG 3.42Å; F402-H411 AromaticContact CE2-NE2 3.96Å; F402-H411 HydrophobicContact CZ-CB 3.38Å; F402-H411 AromaticContact CZ-CD2 3.55Å; F402-H411 AromaticContact CZ-CG 3.16Å; F402-H411 AromaticContact CZ-ND1 3.53Å; N407-H411 VanDerWaalsContact O-CB 3.23Å; N407-H411 WeakPolarHBondContact O-CB 3.23Å; N407-H411 PolarHBondContact O-N 2.82Å; L408-H411 PolarHBondContact O-N 3.27Å; H411-K413 PolarHBondContact O-N 3.36Å; H411-K413 VanDerWaalsContact O-N 3.16Å; H411-I414 WeakPolarHBondContact O-CB 3.16Å; H411-I414 WeakPolarHBondContact O-CG1 3.43Å; H411-I414 PolarHBondContact O-N 2.87Å; H411-H415 AromaticContact CD2-NE2 3.85Å; H411-H415 AromaticContact CE1-NE2 3.48Å; H411-H415 PolarHBondContact CE1-NE2 3.2Å; H411-H415 AromaticContact NE2-CD2 3.86Å; H411-H415 AromaticContact NE2-CE1 3.93Å; H411-H415 AromaticContact NE2-NE2 3.02Å; H411-H415 PolarHBondContact NE2-NE2 3.13Å
412	K	70.3	Confident	67.5	Low	94 Å²	94	72.5 Å²	72.5	41%	0.409	38%	0.38	S	S	.	.	H	α-helix	trans	-57.7	-27.8	175.6	-77.2	-178.4	175.4	-166.8	0	113	L408 E410 I414 H415 T416	L408-K412 HydrophobicContact CD1-CG 4.3Å; L408-K412 WeakPolarHBondContact O-CG 3.2Å; L408-K412 PolarHBondContact O-N 2.9Å; E410-K412 VanDerWaalsContact C-N 3.32Å; E410-K412 PolarHBondContact O-N 3.42Å; K412-I414 PolarHBondContact O-N 3.49Å; K412-I414 VanDerWaalsContact O-N 3.16Å; K412-H415 PolarHBondContact O-N 3.24Å; K412-H415 VanDerWaalsContact O-N 3.09Å; K412-T416 PolarHBondContact O-N 3.39Å; K412-T416 VanDerWaalsContact O-N 3.17Å; K412-T416 PolarHBondContact O-OG1 3.41Å
413	K	70.3	Confident	66.9	Low	63 Å²	63	70.4 Å²	70.4	27%	0.274	37%	0.371	S	S	.	.	H	α-helix	trans	-66.2	-13.9	174.9	-57	-176.6	178.2	-171	0	113.8	E410 H411	E410-K413 VanDerWaalsContact O-CB 3.3Å; E410-K413 WeakPolarHBondContact O-CB 3.4Å; E410-K413 PolarHBondContact O-N 3.11Å; E410-K413 VanDerWaalsContact O-N 3.13Å; H411-K413 PolarHBondContact O-N 3.36Å; H411-K413 VanDerWaalsContact O-N 3.16Å
414	I	64.3	Low	66.7	Low	101 Å²	101	74.6 Å²	74.6	52%	0.518	39%	0.389	S	S	.	.	H	α-helix	trans	-75.5	-37.8	173.8	-58.4	175.2	0	0	0	110.1	H411 K412	H411-I414 WeakPolarHBondContact O-CB 3.16Å; H411-I414 WeakPolarHBondContact O-CG1 3.43Å; H411-I414 PolarHBondContact O-N 2.87Å; K412-I414 PolarHBondContact O-N 3.49Å; K412-I414 VanDerWaalsContact O-N 3.16Å
415	H	64	Low	66.3	Low	70 Å²	70	78 Å²	78	32%	0.324	41%	0.405	S	S	.	.	H	α-helix	trans	-81.2	-36.8	-178.1	-59	-48.7	0	0	0	112.5	C395 E397 C398 H411 K412 A417	C395-H415 VanDerWaalsContact SG-CD2 3.54Å; C395-H415 PolarHBondContact SG-NE2 3.06Å; C395-H415 VanDerWaalsContact SG-NE2 3.38Å; E397-H415 WeakPolarHBondContact OE2-CB 2.91Å; E397-H415 IonicContact OE2-CD2 3.86Å; E397-H415 PolarHBondContact OE2-CD2 3.26Å; E397-H415 IonicContact OE2-CG 3.08Å; C398-H415 VanDerWaalsContact CB-CE1 3.45Å; C398-H415 WeakPolarHBondContact CB-CE1 3.44Å; C398-H415 VanDerWaalsContact SG-CE1 3.53Å; C398-H415 PolarHBondContact SG-NE2 3.3Å; H411-H415 AromaticContact CD2-NE2 3.85Å; H411-H415 AromaticContact CE1-NE2 3.48Å; H411-H415 PolarHBondContact CE1-NE2 3.2Å; H411-H415 AromaticContact NE2-CD2 3.86Å; H411-H415 AromaticContact NE2-CE1 3.93Å; H411-H415 AromaticContact NE2-NE2 3.02Å; H411-H415 PolarHBondContact NE2-NE2 3.13Å; K412-H415 PolarHBondContact O-N 3.24Å; K412-H415 VanDerWaalsContact O-N 3.09Å; H415-A417 PolarHBondContact O-N 3.38Å
416	T	57.9	Low	65.9	Low	78 Å²	78	77 Å²	77	48%	0.479	40%	0.397	S	S	.	.	S	Bend	trans	-77.4	2.2	177.8	61.5	0	0	0	0	113.8	K412 E418	K412-T416 PolarHBondContact O-N 3.39Å; K412-T416 VanDerWaalsContact O-N 3.17Å; K412-T416 PolarHBondContact O-OG1 3.41Å; T416-E418 PolarHBondContact O-N 2.85Å
417	A	55.8	Low	65.3	Low	74 Å²	74	76.7 Å²	76.7	61%	0.612	40%	0.404	S	S	*	.			trans	49.5	14.4	-173.8	0	0	0	0	0	115.1	H415 K419	H415-A417 PolarHBondContact O-N 3.38Å; A417-K419 PolarHBondContact O-N 3.49Å
418	E	56.8	Low	64.8	Low	125 Å²	125	80 Å²	80	58%	0.584	42%	0.416	S	S	*	.			trans	-79.9	71.4	-173.1	-153.8	-177.1	-155.2	0	0	109.7	T416 S420	T416-E418 PolarHBondContact O-N 2.85Å; E418-S420 VanDerWaalsContact C-N 3.3Å; E418-S420 PolarHBondContact O-N 3.19Å; E418-S420 PolarHBondContact O-OG 2.96Å
419	K	56.7	Low	64	Low	123 Å²	123	80.2 Å²	80.2	54%	0.535	42%	0.421	S	S	.	.			trans	-73.2	84.2	174.9	-65.8	170.1	175.8	176.8	0	109	A417 Y421 A429 F430	A417-K419 PolarHBondContact O-N 3.49Å; K419-Y421 PolarHBondContact O-N 3.28Å; K419-Y421 VanDerWaalsContact O-N 3.16Å; K419-A429 HydrophobicContact CB-CB 3.29Å; K419-A429 HydrophobicContact CD-CB 3.71Å; K419-A429 WeakPolarHBondContact CD-O 3.22Å; K419-A429 HydrophobicContact CG-CB 4.1Å; K419-F430 CarbonylContact C-O 3.26Å
420	S	59.9	Low	63.8	Low	61 Å²	61	78.1 Å²	78.1	43%	0.427	40%	0.404	S	S	.	.			trans	-67.1	-15.6	-170.9	-32.8	0	0	0	0	114.6	E418 F430	E418-S420 VanDerWaalsContact C-N 3.3Å; E418-S420 PolarHBondContact O-N 3.19Å; E418-S420 PolarHBondContact O-OG 2.96Å; S420-F430 PolarHBondContact N-O 3.08Å
421	Y	64.9	Low	63.5	Low	61 Å²	61	77.5 Å²	77.5	24%	0.239	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	91.6	-174.1	-57.9	-74.3	0	0	0	111	K419 A429 F430 Q432 H433	K419-Y421 PolarHBondContact O-N 3.28Å; K419-Y421 VanDerWaalsContact O-N 3.16Å; Y421-A429 WeakPolarHBondContact O-CA 3.39Å; Y421-F430 PolarHBondContact N-O 3.4Å; Y421-F430 PolarHBondContact O-N 3.5Å; Y421-Q432 VanDerWaalsContact CD2-C 3.49Å; Y421-H433 HydrophobicContact CD1-CB 4.04Å; Y421-H433 AromaticContact CD1-ND1 3.89Å; Y421-H433 HydrophobicContact CD2-CB 4.43Å; Y421-H433 HydrophobicContact CE1-CB 3.76Å; Y421-H433 HydrophobicContact CE2-CB 4.2Å; Y421-H433 HydrophobicContact CG-CB 4.35Å
422	K	60	Low	63.2	Low	149 Å²	149	79.5 Å²	79.5	65%	0.648	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.1	178.1	-59.6	-172.3	179.1	-179.7	0	111.3	A429	K422-A429 HydrophobicContact CG-CB 3.82Å
423	C	66.6	Low	63	Low	1 Å²	1	78.7 Å²	78.7	1%	0.007	41%	0.41	C	S	.	.			trans	-83.9	123.5	165.6	-168.9	0	0	0	0	108.4	C426 G427 K428 F430 L436	C423-C426 VanDerWaalsContact SG-SG 3.69Å; C423-G427 VanDerWaalsContact O-CA 3.23Å; C423-G427 WeakPolarHBondContact O-CA 3.18Å; C423-G427 PolarHBondContact O-N 3.31Å; C423-K428 WeakPolarHBondContact CB-O 3.28Å; C423-K428 PolarHBondContact N-O 2.99Å; C423-F430 HydrophobicContact CB-CE2 4.4Å; C423-L436 HydrophobicContact CB-CD1 3.7Å
424	E	66.8	Low	62.9	Low	149 Å²	149	78.3 Å²	78.3	70%	0.696	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.4	-177.7	-58.2	-157.6	167.3	0	0	112	C426	E424-C426 PolarHBondContact O-N 3.35Å
425	E	66	Low	63.2	Low	127 Å²	127	76 Å²	76	59%	0.593	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.1	-179.5	-65.9	168.1	-165.5	0	0	113.9	Y443	E425-Y443 WeakPolarHBondContact OE2-CB 3.4Å
426	C	63.9	Low	63.5	Low	42 Å²	42	73 Å²	73	28%	0.284	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	5.7	-175.1	74.3	0	0	0	0	115.4	C423 E424 K428 H439 Y443	C423-C426 VanDerWaalsContact SG-SG 3.69Å; E424-C426 PolarHBondContact O-N 3.35Å; C426-K428 PolarHBondContact O-N 3.43Å; C426-H439 PolarHBondContact SG-NE2 3.5Å; C426-Y443 HydrophobicContact CB-CE1 4.39Å; C426-Y443 HydrophobicContact CB-CE2 4.15Å; C426-Y443 WeakPolarHBondContact CB-OH 3.47Å; C426-Y443 PolarHBondContact SG-OH 3.2Å
427	G	62.6	Low	64	Low	57 Å²	57	72.8 Å²	72.8	59%	0.588	39%	0.385	S	S	*	.			trans	66.6	-6	-179.4	0	0	0	0	0	115.5	C423 A429	C423-G427 VanDerWaalsContact O-CA 3.23Å; C423-G427 WeakPolarHBondContact O-CA 3.18Å; C423-G427 PolarHBondContact O-N 3.31Å; G427-A429 PolarHBondContact O-N 3.32Å
428	K	63.8	Low	64.6	Low	125 Å²	125	71.1 Å²	71.1	54%	0.543	37%	0.366	S	S	.	.			trans	-68.2	130.7	-178.3	-71.7	-177.5	180	173.6	0	110.8	C423 C426 F430	C423-K428 WeakPolarHBondContact CB-O 3.28Å; C423-K428 PolarHBondContact N-O 2.99Å; C426-K428 PolarHBondContact O-N 3.43Å; K428-F430 HydrophobicContact CB-CE2 3.99Å; K428-F430 HydrophobicContact CB-CZ 4.16Å; K428-F430 WeakPolarHBondContact O-CE2 3.36Å
429	A	60	Low	65.2	Low	24 Å²	24	66 Å²	66	20%	0.198	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	-176.1	0	0	0	0	0	111.6	K419 Y421 K422 G427	K419-A429 HydrophobicContact CB-CB 3.29Å; K419-A429 HydrophobicContact CD-CB 3.71Å; K419-A429 WeakPolarHBondContact CD-O 3.22Å; K419-A429 HydrophobicContact CG-CB 4.1Å; Y421-A429 WeakPolarHBondContact O-CA 3.39Å; K422-A429 HydrophobicContact CG-CB 3.82Å; G427-A429 PolarHBondContact O-N 3.32Å
430	F	68.4	Low	65.7	Low	42 Å²	42	65.4 Å²	65.4	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.3	-174.1	-60.7	-90.2	0	0	0	111.1	K419 S420 Y421 C423 K428 N435 L436 H439	K419-F430 CarbonylContact C-O 3.26Å; S420-F430 PolarHBondContact N-O 3.08Å; Y421-F430 PolarHBondContact N-O 3.4Å; Y421-F430 PolarHBondContact O-N 3.5Å; C423-F430 HydrophobicContact CB-CE2 4.4Å; K428-F430 HydrophobicContact CB-CE2 3.99Å; K428-F430 HydrophobicContact CB-CZ 4.16Å; K428-F430 WeakPolarHBondContact O-CE2 3.36Å; F430-N435 HydrophobicContact CB-CB 4.28Å; F430-N435 HydrophobicContact CD1-CB 3.98Å; F430-N435 HydrophobicContact CG-CB 4.4Å; F430-L436 HydrophobicContact CB-CB 4.39Å; F430-L436 HydrophobicContact CD2-CB 4.07Å; F430-L436 HydrophobicContact CD2-CD1 3.81Å; F430-L436 HydrophobicContact CE2-CD1 4.08Å; F430-L436 HydrophobicContact CG-CB 4.4Å; F430-H439 HydrophobicContact CE1-CB 4Å; F430-H439 HydrophobicContact CE2-CB 3.81Å; F430-H439 AromaticContact CE2-CD2 3.28Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.42Å; F430-H439 AromaticContact CE2-CG 3.54Å; F430-H439 AromaticContact CE2-NE2 3.88Å; F430-H439 HydrophobicContact CZ-CB 3.45Å; F430-H439 VanDerWaalsContact CZ-CB 3.45Å; F430-H439 AromaticContact CZ-CD2 3.36Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.35Å; F430-H439 AromaticContact CZ-CE1 3.91Å; F430-H439 AromaticContact CZ-CG 3.15Å; F430-H439 AromaticContact CZ-ND1 3.54Å; F430-H439 AromaticContact CZ-NE2 3.78Å
431	N	61.1	Low	66.2	Low	45 Å²	45	64.3 Å²	64.3	24%	0.241	32%	0.324	C	S	.	.	S	Bend	trans	-82.6	-23.9	178.1	59.1	-3.8	0	0	0	113.5	N435	N431-N435 PolarHBondContact OD1-ND2 3.02Å
432	Q	66.4	Low	66.1	Low	58 Å²	58	66.1 Å²	66.1	27%	0.271	34%	0.337	S	S	.	.	S	Bend	trans	-122.5	146.4	175.8	-61.6	-176	-15.5	0	0	112	E410 Y421 S434 N435 L436	E410-Q432 HydrophobicContact CG-CG 4.44Å; E410-Q432 WeakPolarHBondContact OE1-CG 3.47Å; E410-Q432 PolarHBondContact OE1-NE2 2.83Å; E410-Q432 PolarHBondContact OE2-NE2 3.11Å; Y421-Q432 VanDerWaalsContact CD2-C 3.49Å; Q432-S434 PolarHBondContact OE1-OG 3.07Å; Q432-N435 HydrophobicContact CB-CB 4.29Å; Q432-N435 PolarHBondContact O-N 3.49Å; Q432-N435 PolarHBondContact OE1-ND2 2.93Å; Q432-L436 PolarHBondContact O-N 3.31Å
433	H	65.9	Low	66	Low	77 Å²	77	64.2 Å²	64.2	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-67.5	-37.5	176.9	-172.3	43.1	0	0	0	113.1	K288 Y421 N435 L436 I437	K288-H433 PolarHBondContact NZ-CE1 3.14Å; Y421-H433 HydrophobicContact CD1-CB 4.04Å; Y421-H433 AromaticContact CD1-ND1 3.89Å; Y421-H433 HydrophobicContact CD2-CB 4.43Å; Y421-H433 HydrophobicContact CE1-CB 3.76Å; Y421-H433 HydrophobicContact CE2-CB 4.2Å; Y421-H433 HydrophobicContact CG-CB 4.35Å; H433-N435 VanDerWaalsContact C-N 3.25Å; H433-N435 PolarHBondContact O-N 2.87Å; H433-L436 PolarHBondContact O-N 3.36Å; H433-I437 WeakPolarHBondContact O-CG1 3.47Å; H433-I437 PolarHBondContact O-N 2.78Å
434	S	68.7	Low	65.6	Low	56 Å²	56	67.4 Å²	67.4	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-56.2	-39.6	173.1	46.8	0	0	0	0	112.1	Q432 I437 N438	Q432-S434 PolarHBondContact OE1-OG 3.07Å; S434-I437 PolarHBondContact O-N 3.16Å; S434-N438 WeakPolarHBondContact O-CB 3.41Å; S434-N438 VanDerWaalsContact O-CG 3.26Å; S434-N438 PolarHBondContact O-N 3.16Å; S434-N438 PolarHBondContact O-ND2 3.32Å
435	N	70.1	Confident	65.3	Low	52 Å²	52	62.6 Å²	62.6	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-39.6	177.8	-68.3	-22.7	0	0	0	111.7	F430 N431 Q432 H433 N438 H439	F430-N435 HydrophobicContact CB-CB 4.28Å; F430-N435 HydrophobicContact CD1-CB 3.98Å; F430-N435 HydrophobicContact CG-CB 4.4Å; N431-N435 PolarHBondContact OD1-ND2 3.02Å; Q432-N435 HydrophobicContact CB-CB 4.29Å; Q432-N435 PolarHBondContact O-N 3.49Å; Q432-N435 PolarHBondContact OE1-ND2 2.93Å; H433-N435 VanDerWaalsContact C-N 3.25Å; H433-N435 PolarHBondContact O-N 2.87Å; N435-N438 PolarHBondContact O-N 3.36Å; N435-H439 VanDerWaalsContact O-CB 3.28Å; N435-H439 WeakPolarHBondContact O-CB 3.38Å; N435-H439 PolarHBondContact O-N 3.26Å
436	L	70.6	Confident	65.3	Low	7 Å²	7	62 Å²	62	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-45	172.2	175.7	64.6	0	0	0	111.6	C423 F430 Q432 H433 N438 H439 R440	C423-L436 HydrophobicContact CB-CD1 3.7Å; F430-L436 HydrophobicContact CB-CB 4.39Å; F430-L436 HydrophobicContact CD2-CB 4.07Å; F430-L436 HydrophobicContact CD2-CD1 3.81Å; F430-L436 HydrophobicContact CE2-CD1 4.08Å; F430-L436 HydrophobicContact CG-CB 4.4Å; Q432-L436 PolarHBondContact O-N 3.31Å; H433-L436 PolarHBondContact O-N 3.36Å; L436-N438 VanDerWaalsContact C-N 3.34Å; L436-N438 PolarHBondContact O-N 3.06Å; L436-H439 WeakPolarHBondContact O-CB 3.35Å; L436-H439 PolarHBondContact O-N 3.41Å; L436-H439 VanDerWaalsContact O-N 3.12Å; L436-R440 HydrophobicContact CD1-CG 4.29Å; L436-R440 WeakPolarHBondContact O-CG 3.22Å; L436-R440 PolarHBondContact O-N 2.8Å
437	I	69	Low	65.6	Low	73 Å²	73	65.8 Å²	65.8	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-46.8	176.7	-67.7	170.3	0	0	0	110.3	H433 S434 H439 R440 K441	H433-I437 WeakPolarHBondContact O-CG1 3.47Å; H433-I437 PolarHBondContact O-N 2.78Å; S434-I437 PolarHBondContact O-N 3.16Å; I437-H439 PolarHBondContact O-N 3.17Å; I437-R440 PolarHBondContact O-N 3.5Å; I437-K441 WeakPolarHBondContact O-CG 3.48Å; I437-K441 PolarHBondContact O-N 2.92Å
438	N	68	Low	66.1	Low	40 Å²	40	66.6 Å²	66.6	21%	0.214	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-25.6	177.2	-73.2	-29.7	0	0	0	113.3	S434 N435 L436	S434-N438 WeakPolarHBondContact O-CB 3.41Å; S434-N438 VanDerWaalsContact O-CG 3.26Å; S434-N438 PolarHBondContact O-N 3.16Å; S434-N438 PolarHBondContact O-ND2 3.32Å; N435-N438 PolarHBondContact O-N 3.36Å; L436-N438 VanDerWaalsContact C-N 3.34Å; L436-N438 PolarHBondContact O-N 3.06Å
439	H	70.5	Confident	66.7	Low	17 Å²	17	64.7 Å²	64.7	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-78.3	-41.8	174.9	177.5	67.5	0	0	0	112.1	C426 F430 N435 L436 I437 K441 I442 Y443	C426-H439 PolarHBondContact SG-NE2 3.5Å; F430-H439 HydrophobicContact CE1-CB 4Å; F430-H439 HydrophobicContact CE2-CB 3.81Å; F430-H439 AromaticContact CE2-CD2 3.28Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.42Å; F430-H439 AromaticContact CE2-CG 3.54Å; F430-H439 AromaticContact CE2-NE2 3.88Å; F430-H439 HydrophobicContact CZ-CB 3.45Å; F430-H439 VanDerWaalsContact CZ-CB 3.45Å; F430-H439 AromaticContact CZ-CD2 3.36Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.35Å; F430-H439 AromaticContact CZ-CE1 3.91Å; F430-H439 AromaticContact CZ-CG 3.15Å; F430-H439 AromaticContact CZ-ND1 3.54Å; F430-H439 AromaticContact CZ-NE2 3.78Å; N435-H439 VanDerWaalsContact O-CB 3.28Å; N435-H439 WeakPolarHBondContact O-CB 3.38Å; N435-H439 PolarHBondContact O-N 3.26Å; L436-H439 WeakPolarHBondContact O-CB 3.35Å; L436-H439 PolarHBondContact O-N 3.41Å; L436-H439 VanDerWaalsContact O-N 3.12Å; I437-H439 PolarHBondContact O-N 3.17Å; H439-K441 PolarHBondContact O-N 2.81Å; H439-I442 WeakPolarHBondContact O-CB 3.35Å; H439-I442 WeakPolarHBondContact O-CG1 3.48Å; H439-I442 PolarHBondContact O-N 3.27Å; H439-Y443 AromaticContact CE1-CE2 3.77Å; H439-Y443 AromaticContact NE2-CE2 3.54Å
440	R	66.6	Low	67.3	Low	111 Å²	111	70.7 Å²	70.7	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-34.5	174.4	-73.4	-175.1	-179.6	-160.6	-3	112.4	L436 I437 I442 Y443 S444	L436-R440 HydrophobicContact CD1-CG 4.29Å; L436-R440 WeakPolarHBondContact O-CG 3.22Å; L436-R440 PolarHBondContact O-N 2.8Å; I437-R440 PolarHBondContact O-N 3.5Å; R440-I442 PolarHBondContact O-N 3.1Å; R440-Y443 PolarHBondContact O-N 2.85Å; R440-S444 PolarHBondContact O-N 3.4Å; R440-S444 VanDerWaalsContact O-N 3.11Å
441	K	70.5	Confident	67.8	Low	38 Å²	38	68.7 Å²	68.7	17%	0.165	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-13.1	172.2	-70.3	178.8	-179.5	-177.6	0	114.9	I437 H439 N459	I437-K441 WeakPolarHBondContact O-CG 3.48Å; I437-K441 PolarHBondContact O-N 2.92Å; H439-K441 PolarHBondContact O-N 2.81Å; K441-N459 HydrophobicContact CB-CB 4.44Å
442	I	63	Low	68.6	Low	98 Å²	98	75.3 Å²	75.3	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-78.6	-37.7	173.8	-58.1	173.9	0	0	0	110.3	H439 R440	H439-I442 WeakPolarHBondContact O-CB 3.35Å; H439-I442 WeakPolarHBondContact O-CG1 3.48Å; H439-I442 PolarHBondContact O-N 3.27Å; R440-I442 PolarHBondContact O-N 3.1Å
443	Y	57.9	Low	69	Low	109 Å²	109	78.6 Å²	78.6	43%	0.427	39%	0.391	S	S	.	.	H	α-helix	trans	-80.3	-41.6	179.9	-69.2	-83.1	0	0	0	112.3	E425 C426 H439 R440 G445	E425-Y443 WeakPolarHBondContact OE2-CB 3.4Å; C426-Y443 HydrophobicContact CB-CE1 4.39Å; C426-Y443 HydrophobicContact CB-CE2 4.15Å; C426-Y443 WeakPolarHBondContact CB-OH 3.47Å; C426-Y443 PolarHBondContact SG-OH 3.2Å; H439-Y443 AromaticContact CE1-CE2 3.77Å; H439-Y443 AromaticContact NE2-CE2 3.54Å; R440-Y443 PolarHBondContact O-N 2.85Å; Y443-G445 PolarHBondContact O-N 2.95Å
444	S	58.6	Low	69.2	Low	68 Å²	68	77.3 Å²	77.3	48%	0.476	39%	0.39	S	S	.	.	S	Bend	trans	-70.9	-9.3	177.4	66.6	0	0	0	0	113.9	R440 E446	R440-S444 PolarHBondContact O-N 3.4Å; R440-S444 VanDerWaalsContact O-N 3.11Å; S444-E446 PolarHBondContact O-N 3.04Å; S444-E446 WeakPolarHBondContact OG-CG 3.41Å
445	G	60.7	Low	69.4	Low	48 Å²	48	77.4 Å²	77.4	50%	0.495	40%	0.399	S	S	.	.			trans	64.9	2.1	-176.1	0	0	0	0	0	114.6	Y443 K447	Y443-G445 PolarHBondContact O-N 2.95Å; G445-K447 PolarHBondContact O-N 3.27Å
446	E	64.9	Low	69.5	Low	114 Å²	114	81.1 Å²	81.1	53%	0.533	41%	0.413	S	S	.	.			trans	-61.9	120.3	-177.5	-75.7	-175.6	176.9	0	0	110.9	S444 P448	S444-E446 PolarHBondContact O-N 3.04Å; S444-E446 WeakPolarHBondContact OG-CG 3.41Å; E446-P448 WeakPolarHBondContact O-CD 3.43Å
447	K	70.9	Confident	69.8	Low	122 Å²	122	82.3 Å²	82.3	53%	0.53	42%	0.424	S	S	.	.			trans	-121.1	75.5	175.6	-70	165.6	176.2	179.7	0	109.7	G445 Y449 A457 F458	G445-K447 PolarHBondContact O-N 3.27Å; K447-Y449 PolarHBondContact O-N 3.08Å; K447-Y449 VanDerWaalsContact O-N 3.16Å; K447-A457 HydrophobicContact CB-CB 3.48Å; K447-A457 VanDerWaalsContact CB-CB 3.48Å; K447-A457 HydrophobicContact CD-CB 4.02Å; K447-A457 WeakPolarHBondContact CD-O 3.44Å; K447-A457 HydrophobicContact CG-CB 4.34Å; K447-F458 CarbonylContact C-O 3.31Å; K447-F458 VanDerWaalsContact C-O 3.25Å; K447-F458 VanDerWaalsContact CA-O 3.27Å; K447-F458 WeakPolarHBondContact CA-O 3.37Å
448	P	73.4	Confident	70.2	Confident	75 Å²	75	80.9 Å²	80.9	49%	0.487	42%	0.415	S	S	.	.			trans	-66.7	-19.3	-172.4	-19.1	32.7	0	0	0	113.5	E446	E446-P448 WeakPolarHBondContact O-CD 3.43Å
449	Y	75.9	Confident	70.3	Confident	84 Å²	84	81.2 Å²	81.2	33%	0.329	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	93.7	-172	-55.7	-76.2	0	0	0	109.6	K447 F458	K447-Y449 PolarHBondContact O-N 3.08Å; K447-Y449 VanDerWaalsContact O-N 3.16Å; Y449-F458 PolarHBondContact N-O 3.34Å; Y449-F458 VanDerWaalsContact N-O 3.13Å; Y449-F458 PolarHBondContact O-N 3.2Å
450	K	72.1	Confident	70.5	Confident	150 Å²	150	85.1 Å²	85.1	65%	0.652	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.5	177.8	-63.8	-176.5	-179.9	179.3	0	111	A457 L464	K450-A457 HydrophobicContact CG-CB 3.87Å; K450-L464 WeakPolarHBondContact O-CD2 3.48Å
451	C	79.1	Confident	70.7	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.007	43%	0.431	C	S	.	.			trans	-85.5	120.6	168.6	-178.7	0	0	0	0	108.7	E453 G455 K456 F458 L464 H471	C451-E453 VanDerWaalsContact C-N 3.34Å; C451-G455 WeakPolarHBondContact O-CA 3.35Å; C451-G455 PolarHBondContact O-N 2.97Å; C451-K456 WeakPolarHBondContact CB-O 3.3Å; C451-K456 PolarHBondContact N-O 3.42Å; C451-F458 HydrophobicContact CB-CE2 4.33Å; C451-L464 HydrophobicContact CB-CD1 3.56Å; C451-H471 VanDerWaalsContact SG-CD2 3.56Å; C451-H471 PolarHBondContact SG-NE2 3.09Å
452	E	77.9	Confident	71	Confident	183 Å²	183	84.6 Å²	84.6	86%	0.855	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.3	-178.8	-67.4	175.2	174.1	0	0	112.1
453	E	73.7	Confident	71.6	Confident	127 Å²	127	81.2 Å²	81.2	59%	0.593	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.6	-178.9	-70	167.2	160.9	0	0	114.5	C451 H471	C451-E453 VanDerWaalsContact C-N 3.34Å; E453-H471 WeakPolarHBondContact OE2-CB 3.42Å; E453-H471 IonicContact OE2-CD2 2.82Å; E453-H471 PolarHBondContact OE2-CD2 3.29Å; E453-H471 IonicContact OE2-CG 2.94Å; E453-H471 IonicContact OE2-NE2 2.92Å
454	C	70.1	Confident	72.6	Confident	51 Å²	51	77 Å²	77	35%	0.345	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	6	-175.6	76.9	0	0	0	0	114.8	K456 H467 H471	C454-K456 PolarHBondContact O-N 3.12Å; C454-H467 PolarHBondContact SG-NE2 3.17Å; C454-H471 VanDerWaalsContact CB-CE1 3.48Å; C454-H471 WeakPolarHBondContact CB-CE1 3.41Å; C454-H471 PolarHBondContact SG-NE2 3.17Å
455	G	73.2	Confident	73.3	Confident	57 Å²	57	77.8 Å²	77.8	59%	0.588	42%	0.42	S	S	*	.			trans	67.4	-5.5	-179	0	0	0	0	0	115.7	C451 A457	C451-G455 WeakPolarHBondContact O-CA 3.35Å; C451-G455 PolarHBondContact O-N 2.97Å; G455-A457 PolarHBondContact O-N 3.22Å
456	K	73.4	Confident	74	Confident	130 Å²	130	81.1 Å²	81.1	57%	0.565	42%	0.417	S	S	*	.			trans	-67.5	129.6	-177	-73.4	-179.5	179.2	170.8	0	111.4	C451 C454 F458	C451-K456 WeakPolarHBondContact CB-O 3.3Å; C451-K456 PolarHBondContact N-O 3.42Å; C454-K456 PolarHBondContact O-N 3.12Å; K456-F458 HydrophobicContact CB-CE2 3.87Å; K456-F458 HydrophobicContact CB-CZ 3.95Å; K456-F458 WeakPolarHBondContact O-CD2 3.48Å; K456-F458 VanDerWaalsContact O-CE2 3.3Å; K456-F458 WeakPolarHBondContact O-CE2 3.47Å
457	A	75.4	Confident	74.6	Confident	32 Å²	32	76.6 Å²	76.6	26%	0.264	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.2	-178.8	0	0	0	0	0	112.1	K447 K450 G455	K447-A457 HydrophobicContact CB-CB 3.48Å; K447-A457 VanDerWaalsContact CB-CB 3.48Å; K447-A457 HydrophobicContact CD-CB 4.02Å; K447-A457 WeakPolarHBondContact CD-O 3.44Å; K447-A457 HydrophobicContact CG-CB 4.34Å; K450-A457 HydrophobicContact CG-CB 3.87Å; G455-A457 PolarHBondContact O-N 3.22Å
458	F	78	Confident	74.7	Confident	44 Å²	44	75.1 Å²	75.1	19%	0.193	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.8	-177.3	-57.7	-88.5	0	0	0	111.6	K447 Y449 C451 K456 L464 H467	K447-F458 CarbonylContact C-O 3.31Å; K447-F458 VanDerWaalsContact C-O 3.25Å; K447-F458 VanDerWaalsContact CA-O 3.27Å; K447-F458 WeakPolarHBondContact CA-O 3.37Å; Y449-F458 PolarHBondContact N-O 3.34Å; Y449-F458 VanDerWaalsContact N-O 3.13Å; Y449-F458 PolarHBondContact O-N 3.2Å; C451-F458 HydrophobicContact CB-CE2 4.33Å; K456-F458 HydrophobicContact CB-CE2 3.87Å; K456-F458 HydrophobicContact CB-CZ 3.95Å; K456-F458 WeakPolarHBondContact O-CD2 3.48Å; K456-F458 VanDerWaalsContact O-CE2 3.3Å; K456-F458 WeakPolarHBondContact O-CE2 3.47Å; F458-L464 HydrophobicContact CB-CB 4.41Å; F458-L464 HydrophobicContact CD2-CB 4.02Å; F458-L464 HydrophobicContact CD2-CD1 3.79Å; F458-L464 HydrophobicContact CE2-CD1 3.98Å; F458-L464 HydrophobicContact CG-CB 4.41Å; F458-H467 HydrophobicContact CE1-CB 4.07Å; F458-H467 HydrophobicContact CE2-CB 3.85Å; F458-H467 AromaticContact CE2-CD2 3.36Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.5Å; F458-H467 AromaticContact CE2-CG 3.56Å; F458-H467 HydrophobicContact CZ-CB 3.53Å; F458-H467 AromaticContact CZ-CD2 3.41Å; F458-H467 VanDerWaalsContact CZ-CD2 3.41Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.38Å; F458-H467 AromaticContact CZ-CE1 3.96Å; F458-H467 AromaticContact CZ-CG 3.17Å; F458-H467 AromaticContact CZ-ND1 3.56Å; F458-H467 AromaticContact CZ-NE2 3.86Å
459	N	69.8	Low	74.9	Confident	46 Å²	46	73.9 Å²	73.9	25%	0.246	38%	0.377	C	S	.	.	S	Bend	trans	-83.7	-13.9	179.7	61.3	11.9	0	0	0	113.7	K441	K441-N459 HydrophobicContact CB-CB 4.44Å
460	R	74.3	Confident	74.7	Confident	99 Å²	99	75.4 Å²	75.4	37%	0.374	39%	0.389	S	S	.	.	S	Bend	trans	-131.7	143.2	178.5	-62.1	174.1	-172	-169	1	111.4	S462 T463 L464	R460-S462 PolarHBondContact O-N 3.28Å; R460-T463 HydrophobicContact CB-CG2 4.2Å; R460-T463 WeakPolarHBondContact CB-OG1 3.46Å; R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 PolarHBondContact O-OG1 2.98Å; R460-L464 PolarHBondContact O-N 3.18Å
461	S	72.8	Confident	74.6	Confident	62 Å²	62	71.7 Å²	71.7	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.6	56.6	0	0	0	0	111.9	T463 L464 T465	S461-T463 VanDerWaalsContact C-N 3.25Å; S461-T463 PolarHBondContact O-N 3.07Å; S461-L464 WeakPolarHBondContact O-CA 3.5Å; S461-L464 WeakPolarHBondContact O-CB 3.48Å; S461-L464 PolarHBondContact O-N 2.93Å; S461-T465 PolarHBondContact O-N 3.24Å; S461-T465 PolarHBondContact O-OG1 2.97Å; S461-T465 VanDerWaalsContact O-OG1 3.13Å
462	S	75.9	Confident	74	Confident	76 Å²	76	75.1 Å²	75.1	53%	0.531	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-33.2	178.1	58	0	0	0	0	113.1	R460 R466	R460-S462 PolarHBondContact O-N 3.28Å; S462-R466 WeakPolarHBondContact O-CB 3.42Å; S462-R466 PolarHBondContact O-N 3.43Å
463	T	75.3	Confident	73.6	Confident	27 Å²	27	68.7 Å²	68.7	17%	0.166	38%	0.378	C	S	.	.	H	α-helix	trans	-72.1	-35.2	174.6	51.1	0	0	0	0	112.2	R460 S461 H467	R460-T463 HydrophobicContact CB-CG2 4.2Å; R460-T463 WeakPolarHBondContact CB-OG1 3.46Å; R460-T463 PolarHBondContact O-N 3.32Å; R460-T463 PolarHBondContact O-OG1 2.98Å; S461-T463 VanDerWaalsContact C-N 3.25Å; S461-T463 PolarHBondContact O-N 3.07Å; T463-H467 VanDerWaalsContact O-CB 3.29Å; T463-H467 WeakPolarHBondContact O-CB 3.44Å; T463-H467 PolarHBondContact O-N 3.3Å
464	L	78.3	Confident	73.4	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-66.8	-47.9	172.2	172.4	63.2	0	0	0	110.9	K450 C451 F458 R460 S461 R466 H467 K468	K450-L464 WeakPolarHBondContact O-CD2 3.48Å; C451-L464 HydrophobicContact CB-CD1 3.56Å; F458-L464 HydrophobicContact CB-CB 4.41Å; F458-L464 HydrophobicContact CD2-CB 4.02Å; F458-L464 HydrophobicContact CD2-CD1 3.79Å; F458-L464 HydrophobicContact CE2-CD1 3.98Å; F458-L464 HydrophobicContact CG-CB 4.41Å; R460-L464 PolarHBondContact O-N 3.18Å; S461-L464 WeakPolarHBondContact O-CA 3.5Å; S461-L464 WeakPolarHBondContact O-CB 3.48Å; S461-L464 PolarHBondContact O-N 2.93Å; L464-R466 VanDerWaalsContact C-N 3.26Å; L464-R466 PolarHBondContact O-N 2.77Å; L464-H467 CarbonylContact O-C 3.58Å; L464-H467 WeakPolarHBondContact O-CA 3.22Å; L464-H467 WeakPolarHBondContact O-CB 3.43Å; L464-H467 PolarHBondContact O-N 3.45Å; L464-K468 HydrophobicContact CD1-CG 4.25Å; L464-K468 WeakPolarHBondContact O-CG 3.41Å; L464-K468 PolarHBondContact O-N 2.86Å
465	T	74.1	Confident	73.7	Confident	86 Å²	86	71.2 Å²	71.2	53%	0.528	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-42.2	177	-53.3	0	0	0	0	111.4	S461 H467 K468	S461-T465 PolarHBondContact O-N 3.24Å; S461-T465 PolarHBondContact O-OG1 2.97Å; S461-T465 VanDerWaalsContact O-OG1 3.13Å; T465-H467 VanDerWaalsContact C-N 3.34Å; T465-K468 PolarHBondContact O-N 2.93Å
466	R	75.5	Confident	73.9	Confident	117 Å²	117	72 Å²	72	44%	0.442	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-34.3	174.7	-175.4	172.9	69.2	178.5	-7.3	113	S462 L464 Q488	S462-R466 WeakPolarHBondContact O-CB 3.42Å; S462-R466 PolarHBondContact O-N 3.43Å; L464-R466 VanDerWaalsContact C-N 3.26Å; L464-R466 PolarHBondContact O-N 2.77Å; R466-Q488 VanDerWaalsContact CD-CD 3.47Å; R466-Q488 HydrophobicContact CG-CG 4.19Å
467	H	76.8	Confident	74.2	Confident	20 Å²	20	70 Å²	70	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-68.9	-39.9	175.8	174.9	68.3	0	0	0	112	C454 F458 T463 L464 T465 K469 I470 H471	C454-H467 PolarHBondContact SG-NE2 3.17Å; F458-H467 HydrophobicContact CE1-CB 4.07Å; F458-H467 HydrophobicContact CE2-CB 3.85Å; F458-H467 AromaticContact CE2-CD2 3.36Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.5Å; F458-H467 AromaticContact CE2-CG 3.56Å; F458-H467 HydrophobicContact CZ-CB 3.53Å; F458-H467 AromaticContact CZ-CD2 3.41Å; F458-H467 VanDerWaalsContact CZ-CD2 3.41Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.38Å; F458-H467 AromaticContact CZ-CE1 3.96Å; F458-H467 AromaticContact CZ-CG 3.17Å; F458-H467 AromaticContact CZ-ND1 3.56Å; F458-H467 AromaticContact CZ-NE2 3.86Å; T463-H467 VanDerWaalsContact O-CB 3.29Å; T463-H467 WeakPolarHBondContact O-CB 3.44Å; T463-H467 PolarHBondContact O-N 3.3Å; L464-H467 CarbonylContact O-C 3.58Å; L464-H467 WeakPolarHBondContact O-CA 3.22Å; L464-H467 WeakPolarHBondContact O-CB 3.43Å; L464-H467 PolarHBondContact O-N 3.45Å; T465-H467 VanDerWaalsContact C-N 3.34Å; H467-K469 PolarHBondContact O-N 3.14Å; H467-K469 VanDerWaalsContact O-N 3.16Å; H467-I470 VanDerWaalsContact O-CB 3.23Å; H467-I470 WeakPolarHBondContact O-CB 3.18Å; H467-I470 WeakPolarHBondContact O-CG1 2.92Å; H467-I470 PolarHBondContact O-N 2.81Å; H467-H471 AromaticContact CD2-NE2 3.81Å; H467-H471 AromaticContact CE1-NE2 3.93Å; H467-H471 AromaticContact NE2-CE1 3.83Å; H467-H471 AromaticContact NE2-NE2 3.21Å; H467-H471 PolarHBondContact NE2-NE2 2.84Å
468	K	73.9	Confident	74.3	Confident	91 Å²	91	76 Å²	76	40%	0.396	39%	0.387	S	S	.	.	H	α-helix	trans	-56	-30.8	176.3	-72.9	-168.8	173.3	-161.5	0	112.7	L464 T465 I470 H471 T472	L464-K468 HydrophobicContact CD1-CG 4.25Å; L464-K468 WeakPolarHBondContact O-CG 3.41Å; L464-K468 PolarHBondContact O-N 2.86Å; T465-K468 PolarHBondContact O-N 2.93Å; K468-I470 PolarHBondContact O-N 3.2Å; K468-I470 VanDerWaalsContact O-N 3.1Å; K468-H471 WeakPolarHBondContact O-CB 3.4Å; K468-H471 PolarHBondContact O-N 3.03Å; K468-T472 PolarHBondContact O-N 2.93Å; K468-T472 VanDerWaalsContact O-N 3.11Å
469	K	76.5	Confident	74.3	Confident	49 Å²	49	74.3 Å²	74.3	21%	0.213	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-17.4	173.4	-59.5	-172	178.1	-167	0	114.7	H467 G473 E474	H467-K469 PolarHBondContact O-N 3.14Å; H467-K469 VanDerWaalsContact O-N 3.16Å; K469-G473 PolarHBondContact O-N 2.84Å; K469-E474 PolarHBondContact O-N 2.64Å
470	I	72.6	Confident	74.6	Confident	115 Å²	115	80 Å²	80	59%	0.59	41%	0.406	S	S	*	.	H	α-helix	trans	-74.1	-35.5	174.2	-58.6	176.9	0	0	0	110.1	H467 K468	H467-I470 VanDerWaalsContact O-CB 3.23Å; H467-I470 WeakPolarHBondContact O-CB 3.18Å; H467-I470 WeakPolarHBondContact O-CG1 2.92Å; H467-I470 PolarHBondContact O-N 2.81Å; K468-I470 PolarHBondContact O-N 3.2Å; K468-I470 VanDerWaalsContact O-N 3.1Å
471	H	70.3	Confident	74.4	Confident	72 Å²	72	80.6 Å²	80.6	33%	0.333	41%	0.413	S	S	.	.	H	α-helix	trans	-79.6	-42.5	-179.7	-57	-48.3	0	0	0	111.6	C451 E453 C454 H467 K468 G473	C451-H471 VanDerWaalsContact SG-CD2 3.56Å; C451-H471 PolarHBondContact SG-NE2 3.09Å; E453-H471 WeakPolarHBondContact OE2-CB 3.42Å; E453-H471 IonicContact OE2-CD2 2.82Å; E453-H471 PolarHBondContact OE2-CD2 3.29Å; E453-H471 IonicContact OE2-CG 2.94Å; E453-H471 IonicContact OE2-NE2 2.92Å; C454-H471 VanDerWaalsContact CB-CE1 3.48Å; C454-H471 WeakPolarHBondContact CB-CE1 3.41Å; C454-H471 PolarHBondContact SG-NE2 3.17Å; H467-H471 AromaticContact CD2-NE2 3.81Å; H467-H471 AromaticContact CE1-NE2 3.93Å; H467-H471 AromaticContact NE2-CE1 3.83Å; H467-H471 AromaticContact NE2-NE2 3.21Å; H467-H471 PolarHBondContact NE2-NE2 2.84Å; K468-H471 WeakPolarHBondContact O-CB 3.4Å; K468-H471 PolarHBondContact O-N 3.03Å; H471-G473 PolarHBondContact O-N 2.79Å
472	T	67.1	Low	74.5	Confident	74 Å²	74	78.4 Å²	78.4	45%	0.454	40%	0.397	S	S	.	.	S	Bend	trans	-75	-10.8	176.9	65.4	0	0	0	0	113.4	K468 E474	K468-T472 PolarHBondContact O-N 2.93Å; K468-T472 VanDerWaalsContact O-N 3.11Å; T472-E474 PolarHBondContact O-N 3.48Å; T472-E474 VanDerWaalsContact O-N 3.07Å; T472-E474 WeakPolarHBondContact OG1-CG 3.49Å
473	G	69.3	Low	74.4	Confident	47 Å²	47	80.3 Å²	80.3	49%	0.485	40%	0.401	S	S	.	.			trans	67	3.8	-176.9	0	0	0	0	0	114.7	K469 H471 K475	K469-G473 PolarHBondContact O-N 2.84Å; H471-G473 PolarHBondContact O-N 2.79Å; G473-K475 PolarHBondContact O-N 3.15Å
474	E	69.4	Low	74	Confident	105 Å²	105	83.4 Å²	83.4	49%	0.491	41%	0.41	S	S	.	.			trans	-59.4	122.2	-177.2	-77.5	176.5	-156.2	0	0	111.9	K469 T472 P476	K469-E474 PolarHBondContact O-N 2.64Å; T472-E474 PolarHBondContact O-N 3.48Å; T472-E474 VanDerWaalsContact O-N 3.07Å; T472-E474 WeakPolarHBondContact OG1-CG 3.49Å; E474-P476 WeakPolarHBondContact O-CD 3.43Å
475	K	76.4	Confident	73.9	Confident	127 Å²	127	83.7 Å²	83.7	55%	0.552	42%	0.415	S	S	*	.			trans	-122.6	76.9	175	-68.5	165.8	177.4	-179.7	0	110.4	G473 Y477 A485 F486	G473-K475 PolarHBondContact O-N 3.15Å; K475-Y477 PolarHBondContact O-N 2.93Å; K475-Y477 VanDerWaalsContact O-N 3.17Å; K475-A485 HydrophobicContact CB-CB 3.53Å; K475-A485 HydrophobicContact CD-CB 4.12Å; K475-A485 WeakPolarHBondContact CD-O 3.27Å; K475-A485 HydrophobicContact CG-CB 4.42Å; K475-F486 CarbonylContact C-O 3.5Å; K475-F486 WeakPolarHBondContact CA-O 2.89Å
476	P	77.1	Confident	74.1	Confident	72 Å²	72	81.5 Å²	81.5	47%	0.468	40%	0.398	S	S	.	.			trans	-67.9	-16.5	-173.1	-20.8	34.2	0	0	0	114.3	E474	E474-P476 WeakPolarHBondContact O-CD 3.43Å
477	Y	80.3	Confident	74.1	Confident	88 Å²	88	77.5 Å²	77.5	35%	0.345	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	91	-172.1	-55.4	-76.1	0	0	0	109.8	K475 A485 F486 S489	K475-Y477 PolarHBondContact O-N 2.93Å; K475-Y477 VanDerWaalsContact O-N 3.17Å; Y477-A485 CarbonylContact O-C 3.52Å; Y477-A485 WeakPolarHBondContact O-CA 3.39Å; Y477-F486 WeakPolarHBondContact CB-O 3.29Å; Y477-F486 WeakPolarHBondContact CD2-O 3.36Å; Y477-F486 PolarHBondContact N-O 3.41Å; Y477-F486 VanDerWaalsContact N-O 3.12Å; Y477-F486 PolarHBondContact O-N 3.35Å; Y477-S489 VanDerWaalsContact CD2-N 3.31Å
478	K	76.9	Confident	74	Confident	158 Å²	158	79 Å²	79	69%	0.687	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.6	176.6	-61.1	-175	178.3	-176.4	0	110.7	A485 L492	K478-A485 HydrophobicContact CG-CB 3.93Å; K478-L492 WeakPolarHBondContact O-CD2 3.46Å
479	C	77.1	Confident	74.1	Confident	9 Å²	9	77.5 Å²	77.5	6%	0.061	40%	0.397	C	S	.	.			trans	-82.2	139.2	168.4	-178.1	0	0	0	0	108.8	C482 R484 L492 H499	C479-C482 CarbonylContact C-O 3.55Å; C479-C482 VanDerWaalsContact CB-O 3.26Å; C479-C482 WeakPolarHBondContact CB-O 3.43Å; C479-R484 WeakPolarHBondContact CB-O 3.37Å; C479-R484 PolarHBondContact N-O 3.13Å; C479-L492 HydrophobicContact CB-CD1 3.52Å; C479-H499 PolarHBondContact SG-NE2 2.98Å; C479-H499 VanDerWaalsContact SG-NE2 3.39Å
480	E	76.9	Confident	74	Confident	166 Å²	166	78.2 Å²	78.2	78%	0.776	41%	0.408	S	S	*	.	S	Bend	trans	-84.9	-23.2	178.8	-67.2	148.8	156	0	0	111.5	K496	E480-K496 IonicContact OE2-NZ 3.47Å; E480-K496 PolarHBondContact OE2-NZ 3.16Å
481	E	70.8	Confident	74.2	Confident	112 Å²	112	75.5 Å²	75.5	52%	0.523	40%	0.395	S	S	.	.	S	Bend	trans	-90.5	-11.2	-179.8	-66.6	164.6	179.6	0	0	112.4	H499	E481-H499 WeakPolarHBondContact OE2-CB 3.46Å; E481-H499 IonicContact OE2-CD2 3.85Å; E481-H499 PolarHBondContact OE2-CD2 3.47Å; E481-H499 IonicContact OE2-CG 3.27Å
482	C	74.9	Confident	74.6	Confident	16 Å²	16	73 Å²	73	11%	0.108	38%	0.384	C	S	.	.	S	Bend	trans	-159.6	158.1	170.1	72.8	0	0	0	0	110.7	C479 R484 H495 H499	C479-C482 CarbonylContact C-O 3.55Å; C479-C482 VanDerWaalsContact CB-O 3.26Å; C479-C482 WeakPolarHBondContact CB-O 3.43Å; C482-R484 PolarHBondContact O-N 3.16Å; C482-H495 PolarHBondContact SG-NE2 3.34Å; C482-H499 PolarHBondContact SG-NE2 3.23Å
483	D	73.1	Confident	74.9	Confident	115 Å²	115	73.6 Å²	73.6	62%	0.615	39%	0.387	S	S	*	.	S	Bend	trans	-71.3	11	-174.6	-54.7	-55.8	0	0	0	115.2	A485 E614	D483-A485 PolarHBondContact O-N 3.42Å; D483-E614 WeakPolarHBondContact CB-OE1 3.4Å
484	R	67.7	Low	75	Confident	92 Å²	92	73.9 Å²	73.9	35%	0.347	38%	0.376	S	S	.	.			trans	-72.4	119.8	176.8	-76.3	-172.5	165.5	177.2	-0.2	111.9	C479 C482 F486 L616	C479-R484 WeakPolarHBondContact CB-O 3.37Å; C479-R484 PolarHBondContact N-O 3.13Å; C482-R484 PolarHBondContact O-N 3.16Å; R484-F486 HydrophobicContact CB-CE2 3.81Å; R484-F486 HydrophobicContact CB-CZ 3.91Å; R484-F486 WeakPolarHBondContact O-CE2 3.48Å; R484-L616 HydrophobicContact CG-CD2 4.22Å
485	A	75.1	Confident	75.3	Confident	26 Å²	26	69.3 Å²	69.3	22%	0.215	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.4	171.3	0	0	0	0	0	112.2	K475 Y477 K478 D483	K475-A485 HydrophobicContact CB-CB 3.53Å; K475-A485 HydrophobicContact CD-CB 4.12Å; K475-A485 WeakPolarHBondContact CD-O 3.27Å; K475-A485 HydrophobicContact CG-CB 4.42Å; Y477-A485 CarbonylContact O-C 3.52Å; Y477-A485 WeakPolarHBondContact O-CA 3.39Å; K478-A485 HydrophobicContact CG-CB 3.93Å; D483-A485 PolarHBondContact O-N 3.42Å
486	F	78	Confident	75.2	Confident	40 Å²	40	66.4 Å²	66.4	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.9	-178.3	-58.1	-90.4	0	0	0	111	K475 Y477 R484 Q488 N491 L492 H495	K475-F486 CarbonylContact C-O 3.5Å; K475-F486 WeakPolarHBondContact CA-O 2.89Å; Y477-F486 WeakPolarHBondContact CB-O 3.29Å; Y477-F486 WeakPolarHBondContact CD2-O 3.36Å; Y477-F486 PolarHBondContact N-O 3.41Å; Y477-F486 VanDerWaalsContact N-O 3.12Å; Y477-F486 PolarHBondContact O-N 3.35Å; R484-F486 HydrophobicContact CB-CE2 3.81Å; R484-F486 HydrophobicContact CB-CZ 3.91Å; R484-F486 WeakPolarHBondContact O-CE2 3.48Å; F486-Q488 VanDerWaalsContact C-N 3.28Å; F486-Q488 PolarHBondContact O-N 3.17Å; F486-N491 HydrophobicContact CB-CB 4.24Å; F486-N491 HydrophobicContact CD1-CB 3.9Å; F486-N491 HydrophobicContact CG-CB 4.26Å; F486-L492 HydrophobicContact CB-CB 4.45Å; F486-L492 HydrophobicContact CD2-CB 3.9Å; F486-L492 HydrophobicContact CD2-CD1 3.88Å; F486-L492 HydrophobicContact CE2-CD1 4.02Å; F486-L492 HydrophobicContact CG-CB 4.38Å; F486-H495 HydrophobicContact CE1-CB 4.14Å; F486-H495 HydrophobicContact CE2-CB 3.81Å; F486-H495 AromaticContact CE2-CD2 3.38Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.33Å; F486-H495 AromaticContact CE2-CG 3.6Å; F486-H495 HydrophobicContact CZ-CB 3.47Å; F486-H495 VanDerWaalsContact CZ-CB 3.47Å; F486-H495 AromaticContact CZ-CD2 3.5Å; F486-H495 VanDerWaalsContact CZ-CD2 3.5Å; F486-H495 WeakPolarHBondContact CZ-CD2 3.4Å; F486-H495 AromaticContact CZ-CG 3.26Å; F486-H495 AromaticContact CZ-ND1 3.78Å
487	S	75.3	Confident	75	Confident	34 Å²	34	65.4 Å²	65.4	24%	0.238	33%	0.33	C	S	.	.	S	Bend	trans	-78.5	-11.8	175.3	57.4	0	0	0	0	113.5
488	Q	76.4	Confident	74.5	Confident	50 Å²	50	64.1 Å²	64.1	23%	0.234	33%	0.329	C	S	.	.	S	Bend	trans	-136.8	136.6	-178.5	-56.9	-179.9	38	0	0	110.9	R466 F486 S490 N491 L492	R466-Q488 VanDerWaalsContact CD-CD 3.47Å; R466-Q488 HydrophobicContact CG-CG 4.19Å; F486-Q488 VanDerWaalsContact C-N 3.28Å; F486-Q488 PolarHBondContact O-N 3.17Å; Q488-S490 VanDerWaalsContact C-N 3.33Å; Q488-S490 PolarHBondContact O-N 3.11Å; Q488-N491 PolarHBondContact O-N 2.93Å; Q488-L492 PolarHBondContact O-N 3.09Å
489	S	75	Confident	74.2	Confident	61 Å²	61	59.6 Å²	59.6	43%	0.427	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-37.1	179.1	55.9	0	0	0	0	113.1	Y477 N491 L492 T493	Y477-S489 VanDerWaalsContact CD2-N 3.31Å; S489-N491 PolarHBondContact O-N 3.25Å; S489-L492 WeakPolarHBondContact O-CB 3.44Å; S489-L492 PolarHBondContact O-N 2.93Å; S489-L492 VanDerWaalsContact O-N 3.11Å; S489-T493 PolarHBondContact O-N 3Å; S489-T493 PolarHBondContact O-OG1 3.26Å; S489-T493 VanDerWaalsContact O-OG1 3.13Å
490	S	75.3	Confident	73.6	Confident	64 Å²	64	62.7 Å²	62.7	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-35.5	177.1	56.8	0	0	0	0	112.8	Q488 E494	Q488-S490 VanDerWaalsContact C-N 3.33Å; Q488-S490 PolarHBondContact O-N 3.11Å; S490-E494 WeakPolarHBondContact O-CB 3.26Å; S490-E494 PolarHBondContact O-N 3.46Å
491	N	76.7	Confident	73.1	Confident	57 Å²	57	57 Å²	57	31%	0.305	32%	0.315	S	S	.	.	H	α-helix	trans	-73.6	-36.1	178.9	-63.5	-5.5	0	0	0	110.7	F486 Q488 S489 E494 H495	F486-N491 HydrophobicContact CB-CB 4.24Å; F486-N491 HydrophobicContact CD1-CB 3.9Å; F486-N491 HydrophobicContact CG-CB 4.26Å; Q488-N491 PolarHBondContact O-N 2.93Å; S489-N491 PolarHBondContact O-N 3.25Å; N491-E494 PolarHBondContact O-N 3.31Å; N491-H495 WeakPolarHBondContact O-CB 3.48Å; N491-H495 PolarHBondContact O-N 3.31Å
492	L	77.7	Confident	72.9	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-47.1	171.7	173.3	62.7	0	0	0	111	K478 C479 F486 Q488 S489 E494 H495 K496	K478-L492 WeakPolarHBondContact O-CD2 3.46Å; C479-L492 HydrophobicContact CB-CD1 3.52Å; F486-L492 HydrophobicContact CB-CB 4.45Å; F486-L492 HydrophobicContact CD2-CB 3.9Å; F486-L492 HydrophobicContact CD2-CD1 3.88Å; F486-L492 HydrophobicContact CE2-CD1 4.02Å; F486-L492 HydrophobicContact CG-CB 4.38Å; Q488-L492 PolarHBondContact O-N 3.09Å; S489-L492 WeakPolarHBondContact O-CB 3.44Å; S489-L492 PolarHBondContact O-N 2.93Å; S489-L492 VanDerWaalsContact O-N 3.11Å; L492-E494 VanDerWaalsContact C-N 3.31Å; L492-E494 PolarHBondContact O-N 2.93Å; L492-H495 CarbonylContact O-C 3.24Å; L492-H495 WeakPolarHBondContact O-CA 3.46Å; L492-H495 WeakPolarHBondContact O-CB 3.48Å; L492-H495 PolarHBondContact O-N 2.96Å; L492-H495 VanDerWaalsContact O-N 3.08Å; L492-K496 HydrophobicContact CD1-CG 4.28Å; L492-K496 PolarHBondContact O-N 3.46Å
493	T	74.3	Confident	72.9	Confident	86 Å²	86	61.8 Å²	61.8	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-41.8	176.7	-52.5	0	0	0	0	111.8	S489 H495 K496	S489-T493 PolarHBondContact O-N 3Å; S489-T493 PolarHBondContact O-OG1 3.26Å; S489-T493 VanDerWaalsContact O-OG1 3.13Å; T493-H495 VanDerWaalsContact C-N 3.3Å; T493-H495 PolarHBondContact O-N 3.47Å; T493-K496 PolarHBondContact O-N 2.74Å
494	E	71.3	Confident	73	Confident	53 Å²	53	59.7 Å²	59.7	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-33.1	175.1	-173.8	179.8	-136.1	0	0	112.4	S490 N491 L492 R516	S490-E494 WeakPolarHBondContact O-CB 3.26Å; S490-E494 PolarHBondContact O-N 3.46Å; N491-E494 PolarHBondContact O-N 3.31Å; L492-E494 VanDerWaalsContact C-N 3.31Å; L492-E494 PolarHBondContact O-N 2.93Å; E494-R516 VanDerWaalsContact CD-NE 3.32Å; E494-R516 HydrophobicContact CG-CG 4.31Å; E494-R516 WeakPolarHBondContact OE1-CD 2.93Å; E494-R516 WeakPolarHBondContact OE1-CG 3.43Å; E494-R516 IonicContact OE1-CZ 2.97Å; E494-R516 IonicContact OE1-NE 2.94Å; E494-R516 PolarHBondContact OE1-NE 3.16Å; E494-R516 IonicContact OE1-NH1 3.93Å; E494-R516 PolarHBondContact OE1-NH1 3.15Å; E494-R516 IonicContact OE1-NH2 3.69Å; E494-R516 PolarHBondContact OE1-NH2 3.45Å; E494-R516 IonicContact OE2-CZ 3.05Å; E494-R516 IonicContact OE2-NE 3.13Å; E494-R516 IonicContact OE2-NH1 3.18Å; E494-R516 PolarHBondContact OE2-NH1 3.31Å; E494-R516 IonicContact OE2-NH2 2.88Å; E494-R516 PolarHBondContact OE2-NH2 2.94Å
495	H	76.1	Confident	73.5	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-71.5	-40.6	176	172.8	64.7	0	0	0	112.6	C482 F486 N491 L492 T493 K497 I498 H499	C482-H495 PolarHBondContact SG-NE2 3.34Å; F486-H495 HydrophobicContact CE1-CB 4.14Å; F486-H495 HydrophobicContact CE2-CB 3.81Å; F486-H495 AromaticContact CE2-CD2 3.38Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.33Å; F486-H495 AromaticContact CE2-CG 3.6Å; F486-H495 HydrophobicContact CZ-CB 3.47Å; F486-H495 VanDerWaalsContact CZ-CB 3.47Å; F486-H495 AromaticContact CZ-CD2 3.5Å; F486-H495 VanDerWaalsContact CZ-CD2 3.5Å; F486-H495 WeakPolarHBondContact CZ-CD2 3.4Å; F486-H495 AromaticContact CZ-CG 3.26Å; F486-H495 AromaticContact CZ-ND1 3.78Å; N491-H495 WeakPolarHBondContact O-CB 3.48Å; N491-H495 PolarHBondContact O-N 3.31Å; L492-H495 CarbonylContact O-C 3.24Å; L492-H495 WeakPolarHBondContact O-CA 3.46Å; L492-H495 WeakPolarHBondContact O-CB 3.48Å; L492-H495 PolarHBondContact O-N 2.96Å; L492-H495 VanDerWaalsContact O-N 3.08Å; T493-H495 VanDerWaalsContact C-N 3.3Å; T493-H495 PolarHBondContact O-N 3.47Å; H495-K497 PolarHBondContact O-N 3.13Å; H495-K497 VanDerWaalsContact O-N 3.14Å; H495-I498 VanDerWaalsContact O-CB 3.22Å; H495-I498 WeakPolarHBondContact O-CB 3.21Å; H495-I498 WeakPolarHBondContact O-CG1 3.49Å; H495-I498 PolarHBondContact O-N 3.3Å; H495-H499 AromaticContact CD2-NE2 4Å; H495-H499 AromaticContact CE1-NE2 3.77Å; H495-H499 AromaticContact NE2-CE1 3.99Å; H495-H499 AromaticContact NE2-NE2 3.24Å; H495-H499 PolarHBondContact NE2-NE2 2.83Å
496	K	73.2	Confident	73.5	Confident	67 Å²	67	64.4 Å²	64.4	29%	0.291	34%	0.343	S	S	.	.	H	α-helix	trans	-55.6	-30.7	175.8	-73.9	-165.1	171.9	-159.4	0	112.2	E480 L492 T493 I498 H499 T500	E480-K496 IonicContact OE2-NZ 3.47Å; E480-K496 PolarHBondContact OE2-NZ 3.16Å; L492-K496 HydrophobicContact CD1-CG 4.28Å; L492-K496 PolarHBondContact O-N 3.46Å; T493-K496 PolarHBondContact O-N 2.74Å; K496-I498 PolarHBondContact O-N 3.24Å; K496-I498 VanDerWaalsContact O-N 3.11Å; K496-H499 PolarHBondContact O-N 3.29Å; K496-H499 VanDerWaalsContact O-N 3.07Å; K496-T500 PolarHBondContact O-N 3.14Å; K496-T500 VanDerWaalsContact O-N 3.16Å
497	K	73.2	Confident	73.7	Confident	51 Å²	51	62.6 Å²	62.6	22%	0.222	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-17.2	173.7	-61.3	-177.8	-179.6	-172.3	0	114.7	H495 T500 G501 E502	H495-K497 PolarHBondContact O-N 3.13Å; H495-K497 VanDerWaalsContact O-N 3.14Å; K497-T500 WeakPolarHBondContact CA-OG1 3.42Å; K497-G501 PolarHBondContact O-N 3.25Å; K497-E502 PolarHBondContact O-N 3.43Å
498	I	70.3	Confident	73.9	Confident	61 Å²	61	68.9 Å²	68.9	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-76.2	-38.9	175.8	-58.4	176.5	0	0	0	109.9	H495 K496	H495-I498 VanDerWaalsContact O-CB 3.22Å; H495-I498 WeakPolarHBondContact O-CB 3.21Å; H495-I498 WeakPolarHBondContact O-CG1 3.49Å; H495-I498 PolarHBondContact O-N 3.3Å; K496-I498 PolarHBondContact O-N 3.24Å; K496-I498 VanDerWaalsContact O-N 3.11Å
499	H	70.1	Confident	73.8	Confident	62 Å²	62	72.1 Å²	72.1	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-73.7	-43.3	179.4	-61.5	-50	0	0	0	111.6	C479 E481 C482 H495 K496 G501	C479-H499 PolarHBondContact SG-NE2 2.98Å; C479-H499 VanDerWaalsContact SG-NE2 3.39Å; E481-H499 WeakPolarHBondContact OE2-CB 3.46Å; E481-H499 IonicContact OE2-CD2 3.85Å; E481-H499 PolarHBondContact OE2-CD2 3.47Å; E481-H499 IonicContact OE2-CG 3.27Å; C482-H499 PolarHBondContact SG-NE2 3.23Å; H495-H499 AromaticContact CD2-NE2 4Å; H495-H499 AromaticContact CE1-NE2 3.77Å; H495-H499 AromaticContact NE2-CE1 3.99Å; H495-H499 AromaticContact NE2-NE2 3.24Å; H495-H499 PolarHBondContact NE2-NE2 2.83Å; K496-H499 PolarHBondContact O-N 3.29Å; K496-H499 VanDerWaalsContact O-N 3.07Å; H499-G501 PolarHBondContact O-N 2.79Å
500	T	64.1	Low	73.8	Confident	74 Å²	74	71.7 Å²	71.7	45%	0.454	37%	0.372	S	S	.	.	S	Bend	trans	-73.4	-10.5	176.4	64.2	0	0	0	0	113.4	K496 K497 E502	K496-T500 PolarHBondContact O-N 3.14Å; K496-T500 VanDerWaalsContact O-N 3.16Å; K497-T500 WeakPolarHBondContact CA-OG1 3.42Å; T500-E502 PolarHBondContact O-N 3.43Å; T500-E502 WeakPolarHBondContact OG1-CG 3.25Å
501	G	66.8	Low	73.7	Confident	48 Å²	48	71.5 Å²	71.5	50%	0.495	38%	0.38	S	S	.	.			trans	65.3	6.3	-175.9	0	0	0	0	0	114.5	K497 H499 K503	K497-G501 PolarHBondContact O-N 3.25Å; H499-G501 PolarHBondContact O-N 2.79Å; G501-K503 PolarHBondContact O-N 3.3Å
502	E	67.2	Low	73.6	Confident	106 Å²	106	73.8 Å²	73.8	50%	0.495	39%	0.388	S	S	.	.			trans	-61.5	123.6	-176.8	-77.5	-179.3	-169.2	0	0	111.5	K497 T500 P504	K497-E502 PolarHBondContact O-N 3.43Å; T500-E502 PolarHBondContact O-N 3.43Å; T500-E502 WeakPolarHBondContact OG1-CG 3.25Å; E502-P504 WeakPolarHBondContact O-CD 3.09Å
503	K	73.8	Confident	73.6	Confident	122 Å²	122	74.4 Å²	74.4	53%	0.53	40%	0.395	S	S	.	.			trans	-122	76.7	173.4	-67.8	170	-180	177.7	0	109.7	G501 Y505 A513 F514	G501-K503 PolarHBondContact O-N 3.3Å; K503-Y505 PolarHBondContact O-N 3.37Å; K503-Y505 VanDerWaalsContact O-N 3.14Å; K503-A513 HydrophobicContact CB-CB 3.49Å; K503-A513 VanDerWaalsContact CB-CB 3.49Å; K503-A513 HydrophobicContact CD-CB 4Å; K503-A513 WeakPolarHBondContact CD-O 3.33Å; K503-A513 HydrophobicContact CG-CB 4.37Å; K503-F514 CarbonylContact C-O 3.26Å; K503-F514 WeakPolarHBondContact CA-O 3.47Å
504	P	75.9	Confident	73.8	Confident	70 Å²	70	72.4 Å²	72.4	46%	0.455	38%	0.379	S	S	.	.			trans	-66.6	-18.7	-171.7	-20.4	33.6	0	0	0	113.6	E502	E502-P504 WeakPolarHBondContact O-CD 3.09Å
505	Y	77.6	Confident	73.8	Confident	82 Å²	82	72.4 Å²	72.4	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	95.4	-171.5	-55.3	-70.6	0	0	0	109.8	K503 A513 F514 R516 F517	K503-Y505 PolarHBondContact O-N 3.37Å; K503-Y505 VanDerWaalsContact O-N 3.14Å; Y505-A513 CarbonylContact O-C 3.51Å; Y505-A513 WeakPolarHBondContact O-CA 3.37Å; Y505-F514 PolarHBondContact N-O 3.47Å; Y505-F514 PolarHBondContact O-N 3.46Å; Y505-R516 VanDerWaalsContact CD2-C 3.44Å; Y505-F517 HydrophobicContact CD1-CB 4.02Å; Y505-F517 AromaticContact CD1-CD2 3.81Å; Y505-F517 HydrophobicContact CD1-CD2 3.81Å; Y505-F517 HydrophobicContact CD1-CG 4.42Å; Y505-F517 HydrophobicContact CD2-CB 4.37Å; Y505-F517 HydrophobicContact CE1-CB 3.88Å; Y505-F517 HydrophobicContact CE1-CD2 4.08Å; Y505-F517 HydrophobicContact CE1-CG 4.42Å; Y505-F517 HydrophobicContact CE2-CB 4.23Å; Y505-F517 HydrophobicContact CG-CB 4.25Å
506	K	76.3	Confident	73.6	Confident	136 Å²	136	76.6 Å²	76.6	59%	0.591	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.6	177.2	-63.4	-177.3	-178.1	178.7	0	111	A513 L520	K506-A513 HydrophobicContact CG-CB 3.92Å; K506-L520 WeakPolarHBondContact O-CD2 3.46Å
507	C	81.4	Confident	73.5	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.014	41%	0.409	C	S	.	.			trans	-90	114.1	170.9	-172.2	0	0	0	0	108.9	E509 C510 G511 K512 F514 L520 H527	C507-E509 PolarHBondContact O-N 2.82Å; C507-C510 PolarHBondContact O-N 3.36Å; C507-G511 VanDerWaalsContact O-CA 3.28Å; C507-G511 WeakPolarHBondContact O-CA 3.33Å; C507-G511 PolarHBondContact O-N 2.84Å; C507-K512 WeakPolarHBondContact CB-O 3.46Å; C507-K512 PolarHBondContact N-O 3.07Å; C507-F514 HydrophobicContact CB-CE2 4.43Å; C507-L520 HydrophobicContact CB-CD1 3.57Å; C507-H527 PolarHBondContact SG-NE2 3.42Å; C507-H527 VanDerWaalsContact SG-NE2 3.38Å
508	E	78.9	Confident	73.6	Confident	165 Å²	165	79.8 Å²	79.8	77%	0.771	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.4	179.9	-56.1	-52.6	141.4	0	0	112.6	C510	E508-C510 PolarHBondContact O-N 3.24Å
509	E	74.9	Confident	73.9	Confident	119 Å²	119	79 Å²	79	56%	0.556	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.5	-176.5	-68.3	166.2	167.2	0	0	114.7	C507 H527	C507-E509 PolarHBondContact O-N 2.82Å; E509-H527 WeakPolarHBondContact OE2-CB 3.45Å; E509-H527 IonicContact OE2-CD2 3.18Å; E509-H527 PolarHBondContact OE2-CD2 2.9Å; E509-H527 IonicContact OE2-CG 3.03Å
510	C	74.9	Confident	74.4	Confident	52 Å²	52	76.4 Å²	76.4	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	7.3	-174.9	76.1	0	0	0	0	114.8	C507 E508 K512 H523 H527	C507-C510 PolarHBondContact O-N 3.36Å; E508-C510 PolarHBondContact O-N 3.24Å; C510-K512 PolarHBondContact O-N 3.04Å; C510-H523 PolarHBondContact SG-NE2 3.02Å; C510-H527 VanDerWaalsContact CB-CE1 3.49Å; C510-H527 WeakPolarHBondContact CB-CE1 3.44Å; C510-H527 PolarHBondContact SG-NE2 3.2Å
511	G	73.1	Confident	75	Confident	59 Å²	59	75.5 Å²	75.5	61%	0.608	40%	0.399	S	S	*	.			trans	66.6	-4.2	-179.2	0	0	0	0	0	115.8	C507 A513	C507-G511 VanDerWaalsContact O-CA 3.28Å; C507-G511 WeakPolarHBondContact O-CA 3.33Å; C507-G511 PolarHBondContact O-N 2.84Å; G511-A513 PolarHBondContact O-N 2.89Å
512	K	75.8	Confident	75.4	Confident	106 Å²	106	78.3 Å²	78.3	46%	0.461	40%	0.398	S	S	.	.			trans	-67.2	126.1	-177	-73.7	-178.8	-179.1	172	0	111.3	C507 C510 F514	C507-K512 WeakPolarHBondContact CB-O 3.46Å; C507-K512 PolarHBondContact N-O 3.07Å; C510-K512 PolarHBondContact O-N 3.04Å; K512-F514 HydrophobicContact CB-CE2 3.81Å; K512-F514 HydrophobicContact CB-CZ 3.96Å; K512-F514 WeakPolarHBondContact O-CD2 3.3Å; K512-F514 VanDerWaalsContact O-CE2 3.32Å; K512-F514 WeakPolarHBondContact O-CE2 3.37Å
513	A	77.3	Confident	76	Confident	33 Å²	33	74.2 Å²	74.2	27%	0.273	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	140.4	179.3	0	0	0	0	0	111.8	K503 Y505 K506 G511	K503-A513 HydrophobicContact CB-CB 3.49Å; K503-A513 VanDerWaalsContact CB-CB 3.49Å; K503-A513 HydrophobicContact CD-CB 4Å; K503-A513 WeakPolarHBondContact CD-O 3.33Å; K503-A513 HydrophobicContact CG-CB 4.37Å; Y505-A513 CarbonylContact O-C 3.51Å; Y505-A513 WeakPolarHBondContact O-CA 3.37Å; K506-A513 HydrophobicContact CG-CB 3.92Å; G511-A513 PolarHBondContact O-N 2.89Å
514	F	77.6	Confident	76.1	Confident	44 Å²	44	72.7 Å²	72.7	19%	0.193	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.6	-178.3	-58.9	-89.9	0	0	0	111.2	K503 Y505 C507 K512 L520 H523	K503-F514 CarbonylContact C-O 3.26Å; K503-F514 WeakPolarHBondContact CA-O 3.47Å; Y505-F514 PolarHBondContact N-O 3.47Å; Y505-F514 PolarHBondContact O-N 3.46Å; C507-F514 HydrophobicContact CB-CE2 4.43Å; K512-F514 HydrophobicContact CB-CE2 3.81Å; K512-F514 HydrophobicContact CB-CZ 3.96Å; K512-F514 WeakPolarHBondContact O-CD2 3.3Å; K512-F514 VanDerWaalsContact O-CE2 3.32Å; K512-F514 WeakPolarHBondContact O-CE2 3.37Å; F514-L520 HydrophobicContact CB-CB 4.37Å; F514-L520 HydrophobicContact CD2-CB 3.93Å; F514-L520 HydrophobicContact CD2-CD1 3.75Å; F514-L520 HydrophobicContact CD2-CG 4.44Å; F514-L520 HydrophobicContact CE2-CD1 3.9Å; F514-L520 HydrophobicContact CG-CB 4.32Å; F514-H523 HydrophobicContact CE1-CB 4.14Å; F514-H523 HydrophobicContact CE2-CB 3.9Å; F514-H523 AromaticContact CE2-CD2 3.4Å; F514-H523 VanDerWaalsContact CE2-CD2 3.4Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.21Å; F514-H523 AromaticContact CE2-CG 3.61Å; F514-H523 HydrophobicContact CZ-CB 3.54Å; F514-H523 AromaticContact CZ-CD2 3.5Å; F514-H523 VanDerWaalsContact CZ-CD2 3.5Å; F514-H523 WeakPolarHBondContact CZ-CD2 3.41Å; F514-H523 AromaticContact CZ-CG 3.24Å; F514-H523 AromaticContact CZ-ND1 3.68Å
515	N	70.6	Confident	76.3	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.283	36%	0.36	S	S	.	.	S	Bend	trans	-81.4	-14.7	177.4	60	5.4	0	0	0	113.6
516	R	72.9	Confident	76.1	Confident	96 Å²	96	73.3 Å²	73.3	36%	0.362	37%	0.372	S	S	.	.	S	Bend	trans	-130.2	140	-179.7	-60.5	174.3	-170.1	-133.6	-1.7	110.3	E494 Y505 S518 T519 L520	E494-R516 VanDerWaalsContact CD-NE 3.32Å; E494-R516 HydrophobicContact CG-CG 4.31Å; E494-R516 WeakPolarHBondContact OE1-CD 2.93Å; E494-R516 WeakPolarHBondContact OE1-CG 3.43Å; E494-R516 IonicContact OE1-CZ 2.97Å; E494-R516 IonicContact OE1-NE 2.94Å; E494-R516 PolarHBondContact OE1-NE 3.16Å; E494-R516 IonicContact OE1-NH1 3.93Å; E494-R516 PolarHBondContact OE1-NH1 3.15Å; E494-R516 IonicContact OE1-NH2 3.69Å; E494-R516 PolarHBondContact OE1-NH2 3.45Å; E494-R516 IonicContact OE2-CZ 3.05Å; E494-R516 IonicContact OE2-NE 3.13Å; E494-R516 IonicContact OE2-NH1 3.18Å; E494-R516 PolarHBondContact OE2-NH1 3.31Å; E494-R516 IonicContact OE2-NH2 2.88Å; E494-R516 PolarHBondContact OE2-NH2 2.94Å; Y505-R516 VanDerWaalsContact CD2-C 3.44Å; R516-S518 VanDerWaalsContact C-N 3.33Å; R516-S518 PolarHBondContact O-N 2.86Å; R516-T519 HydrophobicContact CB-CG2 4.25Å; R516-T519 PolarHBondContact O-N 3.42Å; R516-T519 PolarHBondContact O-OG1 3.1Å; R516-L520 PolarHBondContact O-N 3.09Å
517	F	71.9	Confident	76	Confident	124 Å²	124	70.4 Å²	70.4	54%	0.544	36%	0.36	S	S	.	.	H	α-helix	trans	-64.5	-38.3	175.9	-177.7	-102.6	0	0	0	112.1	Y505 T519 L520 T521	Y505-F517 HydrophobicContact CD1-CB 4.02Å; Y505-F517 AromaticContact CD1-CD2 3.81Å; Y505-F517 HydrophobicContact CD1-CD2 3.81Å; Y505-F517 HydrophobicContact CD1-CG 4.42Å; Y505-F517 HydrophobicContact CD2-CB 4.37Å; Y505-F517 HydrophobicContact CE1-CB 3.88Å; Y505-F517 HydrophobicContact CE1-CD2 4.08Å; Y505-F517 HydrophobicContact CE1-CG 4.42Å; Y505-F517 HydrophobicContact CE2-CB 4.23Å; Y505-F517 HydrophobicContact CG-CB 4.25Å; F517-T519 VanDerWaalsContact C-N 3.26Å; F517-T519 PolarHBondContact O-N 2.82Å; F517-L520 WeakPolarHBondContact O-CB 3.45Å; F517-L520 PolarHBondContact O-N 3.39Å; F517-L520 VanDerWaalsContact O-N 3.11Å; F517-T521 WeakPolarHBondContact CE1-OG1 3.06Å; F517-T521 PolarHBondContact O-N 3.02Å; F517-T521 PolarHBondContact O-OG1 3.12Å; F517-T521 VanDerWaalsContact O-OG1 3.04Å
518	S	74.5	Confident	75.5	Confident	62 Å²	62	73.9 Å²	73.9	43%	0.434	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-29	-179.4	60.9	0	0	0	0	113.6	R516 K522	R516-S518 VanDerWaalsContact C-N 3.33Å; R516-S518 PolarHBondContact O-N 2.86Å; S518-K522 VanDerWaalsContact O-CG 3.3Å; S518-K522 WeakPolarHBondContact O-CG 3.49Å; S518-K522 PolarHBondContact O-N 3.41Å; S518-K522 VanDerWaalsContact O-N 3.16Å
519	T	77.1	Confident	75.1	Confident	45 Å²	45	68.3 Å²	68.3	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-77.3	-36.6	174.3	53.6	0	0	0	0	111.1	R516 F517 K522 H523	R516-T519 HydrophobicContact CB-CG2 4.25Å; R516-T519 PolarHBondContact O-N 3.42Å; R516-T519 PolarHBondContact O-OG1 3.1Å; F517-T519 VanDerWaalsContact C-N 3.26Å; F517-T519 PolarHBondContact O-N 2.82Å; T519-K522 PolarHBondContact O-N 3.48Å; T519-H523 VanDerWaalsContact O-CB 3.27Å; T519-H523 WeakPolarHBondContact O-CB 3.29Å; T519-H523 PolarHBondContact O-N 3.2Å
520	L	79.5	Confident	75	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-46.5	168.9	175	64	0	0	0	111.5	K506 C507 F514 R516 F517 K522 H523 K524	K506-L520 WeakPolarHBondContact O-CD2 3.46Å; C507-L520 HydrophobicContact CB-CD1 3.57Å; F514-L520 HydrophobicContact CB-CB 4.37Å; F514-L520 HydrophobicContact CD2-CB 3.93Å; F514-L520 HydrophobicContact CD2-CD1 3.75Å; F514-L520 HydrophobicContact CD2-CG 4.44Å; F514-L520 HydrophobicContact CE2-CD1 3.9Å; F514-L520 HydrophobicContact CG-CB 4.32Å; R516-L520 PolarHBondContact O-N 3.09Å; F517-L520 WeakPolarHBondContact O-CB 3.45Å; F517-L520 PolarHBondContact O-N 3.39Å; F517-L520 VanDerWaalsContact O-N 3.11Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.37Å; L520-H523 CarbonylContact O-C 3.31Å; L520-H523 WeakPolarHBondContact O-CA 3.39Å; L520-H523 WeakPolarHBondContact O-CB 3.45Å; L520-H523 PolarHBondContact O-N 2.87Å; L520-K524 HydrophobicContact CD1-CG 4.29Å; L520-K524 WeakPolarHBondContact O-CG 3.5Å; L520-K524 PolarHBondContact O-N 3.23Å
521	T	76.1	Confident	75.2	Confident	55 Å²	55	71.1 Å²	71.1	34%	0.337	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-41.7	177.7	-47.6	0	0	0	0	111.9	F517 H523	F517-T521 WeakPolarHBondContact CE1-OG1 3.06Å; F517-T521 PolarHBondContact O-N 3.02Å; F517-T521 PolarHBondContact O-OG1 3.12Å; F517-T521 VanDerWaalsContact O-OG1 3.04Å; T521-H523 VanDerWaalsContact C-N 3.3Å
522	K	77	Confident	75.5	Confident	107 Å²	107	71.5 Å²	71.5	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-66.1	-34.8	174	-72.4	173.4	-174.6	-179.4	0	112	S518 T519 L520	S518-K522 VanDerWaalsContact O-CG 3.3Å; S518-K522 WeakPolarHBondContact O-CG 3.49Å; S518-K522 PolarHBondContact O-N 3.41Å; S518-K522 VanDerWaalsContact O-N 3.16Å; T519-K522 PolarHBondContact O-N 3.48Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.37Å
523	H	78.5	Confident	75.7	Confident	19 Å²	19	70.1 Å²	70.1	9%	0.088	36%	0.359	C	S	.	.	H	α-helix	trans	-68.8	-41.1	177.6	173.9	66.3	0	0	0	112.3	C510 F514 T519 L520 T521 R525 I526 H527	C510-H523 PolarHBondContact SG-NE2 3.02Å; F514-H523 HydrophobicContact CE1-CB 4.14Å; F514-H523 HydrophobicContact CE2-CB 3.9Å; F514-H523 AromaticContact CE2-CD2 3.4Å; F514-H523 VanDerWaalsContact CE2-CD2 3.4Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.21Å; F514-H523 AromaticContact CE2-CG 3.61Å; F514-H523 HydrophobicContact CZ-CB 3.54Å; F514-H523 AromaticContact CZ-CD2 3.5Å; F514-H523 VanDerWaalsContact CZ-CD2 3.5Å; F514-H523 WeakPolarHBondContact CZ-CD2 3.41Å; F514-H523 AromaticContact CZ-CG 3.24Å; F514-H523 AromaticContact CZ-ND1 3.68Å; T519-H523 VanDerWaalsContact O-CB 3.27Å; T519-H523 WeakPolarHBondContact O-CB 3.29Å; T519-H523 PolarHBondContact O-N 3.2Å; L520-H523 CarbonylContact O-C 3.31Å; L520-H523 WeakPolarHBondContact O-CA 3.39Å; L520-H523 WeakPolarHBondContact O-CB 3.45Å; L520-H523 PolarHBondContact O-N 2.87Å; T521-H523 VanDerWaalsContact C-N 3.3Å; H523-R525 PolarHBondContact O-N 3.28Å; H523-R525 VanDerWaalsContact O-N 3.14Å; H523-I526 WeakPolarHBondContact O-CB 3.43Å; H523-I526 WeakPolarHBondContact O-CG1 3.35Å; H523-I526 PolarHBondContact O-N 2.97Å; H523-H527 AromaticContact CD2-NE2 3.89Å; H523-H527 AromaticContact CE1-NE2 3.74Å; H523-H527 AromaticContact NE2-CE1 3.92Å; H523-H527 AromaticContact NE2-NE2 3.15Å; H523-H527 PolarHBondContact NE2-NE2 2.87Å; H523-H527 VanDerWaalsContact NE2-NE2 3.15Å
524	K	76.1	Confident	75.6	Confident	91 Å²	91	75.2 Å²	75.2	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-56.5	-29.4	176.8	-73.2	-169.7	173.3	-162.1	0	113.3	L520 I526 H527 T528	L520-K524 HydrophobicContact CD1-CG 4.29Å; L520-K524 WeakPolarHBondContact O-CG 3.5Å; L520-K524 PolarHBondContact O-N 3.23Å; K524-I526 PolarHBondContact O-N 3.02Å; K524-I526 VanDerWaalsContact O-N 3.14Å; K524-H527 PolarHBondContact O-N 3.38Å; K524-T528 PolarHBondContact O-N 3.28Å; K524-T528 VanDerWaalsContact O-N 3.1Å; K524-T528 PolarHBondContact O-OG1 3.02Å
525	R	79.7	Confident	75.7	Confident	53 Å²	53	73.2 Å²	73.2	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-14.9	174	-60.3	179.3	-175.2	-179.6	-2.9	114.4	H523 G529 E530 N543	H523-R525 PolarHBondContact O-N 3.28Å; H523-R525 VanDerWaalsContact O-N 3.14Å; R525-G529 PolarHBondContact O-N 2.99Å; R525-E530 HydrophobicContact CG-CB 4.43Å; R525-E530 PolarHBondContact O-N 2.83Å; R525-N543 PolarHBondContact NH1-O 3.47Å; R525-N543 VanDerWaalsContact NH1-O 3.15Å
526	I	74.9	Confident	76.1	Confident	111 Å²	111	79 Å²	79	57%	0.569	39%	0.392	S	S	*	.	H	α-helix	trans	-75.5	-36.8	174.1	-58.8	176	0	0	0	109.9	H523 K524	H523-I526 WeakPolarHBondContact O-CB 3.43Å; H523-I526 WeakPolarHBondContact O-CG1 3.35Å; H523-I526 PolarHBondContact O-N 2.97Å; K524-I526 PolarHBondContact O-N 3.02Å; K524-I526 VanDerWaalsContact O-N 3.14Å
527	H	73.9	Confident	76	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.347	40%	0.401	S	S	.	.	H	α-helix	trans	-79.9	-43.8	-179.5	-57.6	-51.2	0	0	0	111.8	C507 E509 C510 H523 K524 G529	C507-H527 PolarHBondContact SG-NE2 3.42Å; C507-H527 VanDerWaalsContact SG-NE2 3.38Å; E509-H527 WeakPolarHBondContact OE2-CB 3.45Å; E509-H527 IonicContact OE2-CD2 3.18Å; E509-H527 PolarHBondContact OE2-CD2 2.9Å; E509-H527 IonicContact OE2-CG 3.03Å; C510-H527 VanDerWaalsContact CB-CE1 3.49Å; C510-H527 WeakPolarHBondContact CB-CE1 3.44Å; C510-H527 PolarHBondContact SG-NE2 3.2Å; H523-H527 AromaticContact CD2-NE2 3.89Å; H523-H527 AromaticContact CE1-NE2 3.74Å; H523-H527 AromaticContact NE2-CE1 3.92Å; H523-H527 AromaticContact NE2-NE2 3.15Å; H523-H527 PolarHBondContact NE2-NE2 2.87Å; H523-H527 VanDerWaalsContact NE2-NE2 3.15Å; K524-H527 PolarHBondContact O-N 3.38Å; H527-G529 PolarHBondContact O-N 3.15Å
528	T	70	Confident	76.2	Confident	75 Å²	75	76.9 Å²	76.9	46%	0.46	39%	0.393	S	S	.	.	S	Bend	trans	-77.2	-9.7	178.5	62.6	0	0	0	0	113.5	K524 E530	K524-T528 PolarHBondContact O-N 3.28Å; K524-T528 VanDerWaalsContact O-N 3.1Å; K524-T528 PolarHBondContact O-OG1 3.02Å; T528-E530 PolarHBondContact O-N 3.5Å; T528-E530 WeakPolarHBondContact OG1-CG 3.28Å
529	G	71.1	Confident	76.1	Confident	48 Å²	48	76.6 Å²	76.6	50%	0.495	40%	0.399	S	S	.	.			trans	64.4	6.2	-174.5	0	0	0	0	0	114.6	R525 H527 K531	R525-G529 PolarHBondContact O-N 2.99Å; H527-G529 PolarHBondContact O-N 3.15Å; G529-K531 PolarHBondContact O-N 3.03Å
530	E	73.3	Confident	76	Confident	111 Å²	111	80.5 Å²	80.5	52%	0.519	41%	0.413	S	S	.	.			trans	-58.5	125.8	-176.6	-80.4	-178	-177.3	0	0	111.6	R525 T528 P532	R525-E530 HydrophobicContact CG-CB 4.43Å; R525-E530 PolarHBondContact O-N 2.83Å; T528-E530 PolarHBondContact O-N 3.5Å; T528-E530 WeakPolarHBondContact OG1-CG 3.28Å; E530-P532 WeakPolarHBondContact O-CD 3.45Å
531	K	79	Confident	76.1	Confident	120 Å²	120	81.6 Å²	81.6	52%	0.522	42%	0.423	S	S	.	.			trans	-120.5	77.5	176.2	-71.8	165.8	175.7	178.7	0	110.2	G529 Y533 A541 F542 N543	G529-K531 PolarHBondContact O-N 3.03Å; K531-Y533 PolarHBondContact O-N 2.81Å; K531-A541 HydrophobicContact CB-CB 3.53Å; K531-A541 HydrophobicContact CD-CB 4.12Å; K531-A541 WeakPolarHBondContact CD-O 3.45Å; K531-A541 HydrophobicContact CG-CB 4.42Å; K531-F542 CarbonylContact C-O 3.19Å; K531-F542 VanDerWaalsContact C-O 3.24Å; K531-F542 VanDerWaalsContact CA-O 3.29Å; K531-F542 WeakPolarHBondContact CA-O 3.36Å; K531-N543 HydrophobicContact CG-CB 4.48Å
532	P	78.8	Confident	76.2	Confident	67 Å²	67	81 Å²	81	44%	0.435	42%	0.416	S	S	.	.			trans	-68	-18	-172.3	-20.2	33.5	0	0	0	114.1	E530	E530-P532 WeakPolarHBondContact O-CD 3.45Å
533	Y	79.8	Confident	76.1	Confident	76 Å²	76	78.5 Å²	78.5	30%	0.298	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	90.8	-173.7	-56.3	-75.1	0	0	0	109.7	K531 A541 F542 S545	K531-Y533 PolarHBondContact O-N 2.81Å; Y533-A541 CarbonylContact O-C 3.55Å; Y533-A541 WeakPolarHBondContact O-CA 3.31Å; Y533-F542 WeakPolarHBondContact CB-O 3.25Å; Y533-F542 PolarHBondContact N-O 3.19Å; Y533-F542 VanDerWaalsContact N-O 3.09Å; Y533-F542 PolarHBondContact O-N 3.28Å; Y533-S545 VanDerWaalsContact CE2-N 3.33Å
534	K	76.2	Confident	75.9	Confident	141 Å²	141	80.4 Å²	80.4	61%	0.613	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.5	177.2	-63.7	-175.7	-179.8	-179.2	0	111.1	A541 L548	K534-A541 HydrophobicContact CG-CB 3.87Å; K534-L548 WeakPolarHBondContact O-CD2 3.32Å
535	C	79.9	Confident	75.8	Confident	2 Å²	2	79 Å²	79	1%	0.014	42%	0.418	C	S	.	.			trans	-86.2	119.2	169.5	-178.5	0	0	0	0	109.1	E537 G539 K540 L548 H555	C535-E537 VanDerWaalsContact C-N 3.27Å; C535-E537 PolarHBondContact O-N 3.1Å; C535-G539 WeakPolarHBondContact O-CA 3.48Å; C535-G539 PolarHBondContact O-N 3.05Å; C535-K540 WeakPolarHBondContact CB-O 3.42Å; C535-K540 PolarHBondContact N-O 3.34Å; C535-L548 HydrophobicContact CB-CD1 3.63Å; C535-H555 PolarHBondContact SG-CD2 3.16Å; C535-H555 PolarHBondContact SG-NE2 2.79Å
536	E	77	Confident	75.4	Confident	174 Å²	174	82.2 Å²	82.2	81%	0.813	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.6	177.3	-60.1	-68.6	141.5	0	0	111.8
537	E	72.1	Confident	75.4	Confident	122 Å²	122	78.6 Å²	78.6	57%	0.57	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-26.1	-173.4	-67.8	164.5	160.6	0	0	114.2	C535 H555	C535-E537 VanDerWaalsContact C-N 3.27Å; C535-E537 PolarHBondContact O-N 3.1Å; E537-H555 HydrophobicContact CB-CB 4.38Å; E537-H555 WeakPolarHBondContact OE2-CB 3.28Å; E537-H555 IonicContact OE2-CD2 2.79Å; E537-H555 PolarHBondContact OE2-CD2 2.73Å; E537-H555 IonicContact OE2-CG 3.02Å; E537-H555 VanDerWaalsContact OE2-CG 3.25Å
538	C	75.7	Confident	75.4	Confident	53 Å²	53	76 Å²	76	36%	0.358	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.5	11.5	-179.4	85.8	0	0	0	0	114.9	K540 H551 H555	C538-K540 PolarHBondContact O-N 3.41Å; C538-K540 VanDerWaalsContact SG-CG 3.58Å; C538-H551 VanDerWaalsContact SG-CE1 3.53Å; C538-H551 PolarHBondContact SG-NE2 3.42Å; C538-H555 WeakPolarHBondContact CB-CE1 3.46Å; C538-H555 PolarHBondContact SG-CE1 2.99Å; C538-H555 PolarHBondContact SG-NE2 3.2Å
539	G	73	Confident	75.3	Confident	56 Å²	56	76.9 Å²	76.9	58%	0.577	41%	0.406	S	S	*	.			trans	67.8	-3.4	178.6	0	0	0	0	0	116.1	C535 A541	C535-G539 WeakPolarHBondContact O-CA 3.48Å; C535-G539 PolarHBondContact O-N 3.05Å; G539-A541 PolarHBondContact O-N 3.14Å
540	K	75.4	Confident	75	Confident	128 Å²	128	81.7 Å²	81.7	56%	0.557	41%	0.409	S	S	*	.			trans	-67.9	127.3	-177	-77.6	-179.2	-178.3	173.9	0	111	C535 C538 F542	C535-K540 WeakPolarHBondContact CB-O 3.42Å; C535-K540 PolarHBondContact N-O 3.34Å; C538-K540 PolarHBondContact O-N 3.41Å; C538-K540 VanDerWaalsContact SG-CG 3.58Å; K540-F542 HydrophobicContact CB-CE2 3.89Å; K540-F542 HydrophobicContact CB-CZ 3.99Å; K540-F542 WeakPolarHBondContact O-CE2 3.38Å
541	A	80	Confident	74.9	Confident	30 Å²	30	77.4 Å²	77.4	25%	0.248	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	-178.1	0	0	0	0	0	111.9	K531 Y533 K534 G539	K531-A541 HydrophobicContact CB-CB 3.53Å; K531-A541 HydrophobicContact CD-CB 4.12Å; K531-A541 WeakPolarHBondContact CD-O 3.45Å; K531-A541 HydrophobicContact CG-CB 4.42Å; Y533-A541 CarbonylContact O-C 3.55Å; Y533-A541 WeakPolarHBondContact O-CA 3.31Å; K534-A541 HydrophobicContact CG-CB 3.87Å; G539-A541 PolarHBondContact O-N 3.14Å
542	F	79.5	Confident	74.3	Confident	42 Å²	42	76.3 Å²	76.3	18%	0.184	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	149.9	-179	-57.5	-88.1	0	0	0	111.4	K531 Y533 K540 Q547 L548 H551	K531-F542 CarbonylContact C-O 3.19Å; K531-F542 VanDerWaalsContact C-O 3.24Å; K531-F542 VanDerWaalsContact CA-O 3.29Å; K531-F542 WeakPolarHBondContact CA-O 3.36Å; Y533-F542 WeakPolarHBondContact CB-O 3.25Å; Y533-F542 PolarHBondContact N-O 3.19Å; Y533-F542 VanDerWaalsContact N-O 3.09Å; Y533-F542 PolarHBondContact O-N 3.28Å; K540-F542 HydrophobicContact CB-CE2 3.89Å; K540-F542 HydrophobicContact CB-CZ 3.99Å; K540-F542 WeakPolarHBondContact O-CE2 3.38Å; F542-Q547 HydrophobicContact CB-CB 3.89Å; F542-Q547 HydrophobicContact CD1-CB 3.77Å; F542-Q547 HydrophobicContact CG-CB 4Å; F542-L548 HydrophobicContact CD2-CB 4Å; F542-L548 HydrophobicContact CD2-CD1 4Å; F542-L548 HydrophobicContact CE2-CD1 4.21Å; F542-L548 HydrophobicContact CG-CB 4.5Å; F542-H551 HydrophobicContact CD2-CB 4.5Å; F542-H551 HydrophobicContact CE1-CB 4.12Å; F542-H551 HydrophobicContact CE2-CB 3.64Å; F542-H551 AromaticContact CE2-CD2 3.27Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.18Å; F542-H551 AromaticContact CE2-CG 3.42Å; F542-H551 VanDerWaalsContact CE2-CG 3.42Å; F542-H551 AromaticContact CE2-NE2 3.95Å; F542-H551 HydrophobicContact CZ-CB 3.41Å; F542-H551 VanDerWaalsContact CZ-CB 3.41Å; F542-H551 AromaticContact CZ-CD2 3.52Å; F542-H551 AromaticContact CZ-CG 3.19Å; F542-H551 AromaticContact CZ-ND1 3.63Å
543	N	73.8	Confident	73.7	Confident	55 Å²	55	77.6 Å²	77.6	29%	0.294	39%	0.386	S	S	.	.	S	Bend	trans	-80.5	-16.8	178.9	59.3	16.3	0	0	0	113.5	R525 K531	R525-N543 PolarHBondContact NH1-O 3.47Å; R525-N543 VanDerWaalsContact NH1-O 3.15Å; K531-N543 HydrophobicContact CG-CB 4.48Å
544	Q	75.9	Confident	72.9	Confident	59 Å²	59	79 Å²	79	28%	0.276	40%	0.403	S	S	.	.	S	Bend	trans	-135.6	144.8	-178	-64.1	-172.1	53.8	0	0	112	Y546 Q547 L548	Q544-Y546 HydrophobicContact CB-CD1 3.9Å; Q544-Y546 HydrophobicContact CB-CE1 3.82Å; Q544-Y546 HydrophobicContact CG-CE1 4.41Å; Q544-Y546 PolarHBondContact O-N 3.2Å; Q544-Y546 VanDerWaalsContact OE1-CE1 3.24Å; Q544-Q547 HydrophobicContact CB-CG 4.2Å; Q544-Q547 WeakPolarHBondContact O-CB 3.44Å; Q544-Q547 PolarHBondContact O-N 3.43Å; Q544-L548 PolarHBondContact O-N 2.87Å
545	S	72.9	Confident	72.3	Confident	62 Å²	62	75.1 Å²	75.1	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-40	-174.2	58.7	0	0	0	0	113.5	Y533 Q547 L548 T549	Y533-S545 VanDerWaalsContact CE2-N 3.33Å; S545-Q547 PolarHBondContact O-N 3.23Å; S545-L548 WeakPolarHBondContact O-CB 3.46Å; S545-L548 PolarHBondContact O-N 3.35Å; S545-L548 VanDerWaalsContact O-N 3.09Å; S545-T549 PolarHBondContact O-N 3.46Å; S545-T549 PolarHBondContact O-OG1 3.37Å
546	Y	70.8	Confident	71.1	Confident	120 Å²	120	78.2 Å²	78.2	47%	0.471	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-27.7	179	81.8	-93.9	0	0	0	112.4	Q544 R550	Q544-Y546 HydrophobicContact CB-CD1 3.9Å; Q544-Y546 HydrophobicContact CB-CE1 3.82Å; Q544-Y546 HydrophobicContact CG-CE1 4.41Å; Q544-Y546 PolarHBondContact O-N 3.2Å; Q544-Y546 VanDerWaalsContact OE1-CE1 3.24Å; Y546-R550 WeakPolarHBondContact O-CB 3.37Å; Y546-R550 PolarHBondContact O-N 3.06Å
547	Q	75.2	Confident	69.7	Low	35 Å²	35	79.8 Å²	79.8	16%	0.164	41%	0.409	C	S	.	.	H	α-helix	trans	-69.3	-42.6	175.9	-67	-71.6	-4.4	0	0	110.3	F542 Q544 S545 R550 H551	F542-Q547 HydrophobicContact CB-CB 3.89Å; F542-Q547 HydrophobicContact CD1-CB 3.77Å; F542-Q547 HydrophobicContact CG-CB 4Å; Q544-Q547 HydrophobicContact CB-CG 4.2Å; Q544-Q547 WeakPolarHBondContact O-CB 3.44Å; Q544-Q547 PolarHBondContact O-N 3.43Å; S545-Q547 PolarHBondContact O-N 3.23Å; Q547-R550 PolarHBondContact O-N 3.24Å; Q547-H551 WeakPolarHBondContact O-CB 3.49Å; Q547-H551 PolarHBondContact O-N 3.41Å
548	L	74.1	Confident	68.4	Low	21 Å²	21	80.5 Å²	80.5	11%	0.11	41%	0.413	C	S	.	.	H	α-helix	trans	-64.1	-47.5	171.6	175.5	63.3	0	0	0	111.4	K534 C535 F542 Q544 S545 R550 H551 K552	K534-L548 WeakPolarHBondContact O-CD2 3.32Å; C535-L548 HydrophobicContact CB-CD1 3.63Å; F542-L548 HydrophobicContact CD2-CB 4Å; F542-L548 HydrophobicContact CD2-CD1 4Å; F542-L548 HydrophobicContact CE2-CD1 4.21Å; F542-L548 HydrophobicContact CG-CB 4.5Å; Q544-L548 PolarHBondContact O-N 2.87Å; S545-L548 WeakPolarHBondContact O-CB 3.46Å; S545-L548 PolarHBondContact O-N 3.35Å; S545-L548 VanDerWaalsContact O-N 3.09Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 3.05Å; L548-H551 CarbonylContact O-C 3.6Å; L548-H551 WeakPolarHBondContact O-CA 3.23Å; L548-H551 WeakPolarHBondContact O-CB 3.36Å; L548-H551 PolarHBondContact O-N 3.24Å; L548-K552 HydrophobicContact CD1-CG 4.18Å; L548-K552 HydrophobicContact CG-CG 4.45Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.81Å
549	T	69.1	Low	67	Low	93 Å²	93	84.9 Å²	84.9	57%	0.571	43%	0.426	S	S	*	.	H	α-helix	trans	-56.4	-44.1	176.6	-54.1	0	0	0	0	111.2	S545 H551 K552 I553	S545-T549 PolarHBondContact O-N 3.46Å; S545-T549 PolarHBondContact O-OG1 3.37Å; T549-H551 VanDerWaalsContact C-N 3.31Å; T549-H551 PolarHBondContact O-N 3.1Å; T549-K552 PolarHBondContact O-N 3.49Å; T549-I553 WeakPolarHBondContact O-CG1 3.39Å
550	R	64.2	Low	65.5	Low	148 Å²	148	88 Å²	88	56%	0.558	43%	0.429	S	S	*	.	H	α-helix	trans	-66.3	-34.2	175.6	-174.4	176	69.2	169.6	11.8	112.7	Y546 Q547 L548 I553	Y546-R550 WeakPolarHBondContact O-CB 3.37Å; Y546-R550 PolarHBondContact O-N 3.06Å; Q547-R550 PolarHBondContact O-N 3.24Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 3.05Å; R550-I553 WeakPolarHBondContact O-CB 3.11Å
551	H	71.7	Confident	64.3	Low	22 Å²	22	83.3 Å²	83.3	10%	0.102	41%	0.41	C	S	.	.	H	α-helix	trans	-74.3	-35.7	178.8	172.3	67.1	0	0	0	112.6	C538 F542 Q547 L548 T549 I553 V554 H555	C538-H551 VanDerWaalsContact SG-CE1 3.53Å; C538-H551 PolarHBondContact SG-NE2 3.42Å; F542-H551 HydrophobicContact CD2-CB 4.5Å; F542-H551 HydrophobicContact CE1-CB 4.12Å; F542-H551 HydrophobicContact CE2-CB 3.64Å; F542-H551 AromaticContact CE2-CD2 3.27Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.18Å; F542-H551 AromaticContact CE2-CG 3.42Å; F542-H551 VanDerWaalsContact CE2-CG 3.42Å; F542-H551 AromaticContact CE2-NE2 3.95Å; F542-H551 HydrophobicContact CZ-CB 3.41Å; F542-H551 VanDerWaalsContact CZ-CB 3.41Å; F542-H551 AromaticContact CZ-CD2 3.52Å; F542-H551 AromaticContact CZ-CG 3.19Å; F542-H551 AromaticContact CZ-ND1 3.63Å; Q547-H551 WeakPolarHBondContact O-CB 3.49Å; Q547-H551 PolarHBondContact O-N 3.41Å; L548-H551 CarbonylContact O-C 3.6Å; L548-H551 WeakPolarHBondContact O-CA 3.23Å; L548-H551 WeakPolarHBondContact O-CB 3.36Å; L548-H551 PolarHBondContact O-N 3.24Å; T549-H551 VanDerWaalsContact C-N 3.31Å; T549-H551 PolarHBondContact O-N 3.1Å; H551-I553 PolarHBondContact O-N 3.38Å; H551-V554 WeakPolarHBondContact O-CB 3.46Å; H551-V554 WeakPolarHBondContact O-CG2 3.46Å; H551-V554 PolarHBondContact O-N 2.78Å; H551-H555 AromaticContact CD2-NE2 3.73Å; H551-H555 AromaticContact CE1-CE1 3.81Å; H551-H555 AromaticContact CE1-NE2 3.36Å; H551-H555 PolarHBondContact CE1-NE2 3.42Å; H551-H555 AromaticContact NE2-CD2 3.88Å; H551-H555 AromaticContact NE2-CE1 3.79Å; H551-H555 AromaticContact NE2-NE2 2.96Å; H551-H555 PolarHBondContact NE2-NE2 3.45Å
552	K	66.6	Low	62.5	Low	96 Å²	96	86.7 Å²	86.7	42%	0.417	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-30.2	173.7	-72.7	-171.5	174.3	-160.6	0	112.6	L548 T549 V554 H555 T556	L548-K552 HydrophobicContact CD1-CG 4.18Å; L548-K552 HydrophobicContact CG-CG 4.45Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.81Å; T549-K552 PolarHBondContact O-N 3.49Å; K552-V554 PolarHBondContact O-N 2.79Å; K552-V554 VanDerWaalsContact O-N 3.16Å; K552-H555 PolarHBondContact O-N 2.74Å; K552-H555 VanDerWaalsContact O-N 3.13Å; K552-T556 PolarHBondContact O-N 3.28Å; K552-T556 PolarHBondContact O-OG1 3.48Å
553	I	64.2	Low	60.9	Low	95 Å²	95	85 Å²	85	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-20.6	173.5	-57.1	169	0	0	0	112.1	T549 R550 H551 T556	T549-I553 WeakPolarHBondContact O-CG1 3.39Å; R550-I553 WeakPolarHBondContact O-CB 3.11Å; H551-I553 PolarHBondContact O-N 3.38Å; I553-T556 WeakPolarHBondContact CA-OG1 3.26Å; I553-T556 PolarHBondContact O-OG1 3.42Å
554	V	63	Low	59.8	Low	105 Å²	105	91.9 Å²	91.9	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-77.7	-27.7	178.4	-176.8	0	0	0	0	111.8	H551 K552	H551-V554 WeakPolarHBondContact O-CB 3.46Å; H551-V554 WeakPolarHBondContact O-CG2 3.46Å; H551-V554 PolarHBondContact O-N 2.78Å; K552-V554 PolarHBondContact O-N 2.79Å; K552-V554 VanDerWaalsContact O-N 3.16Å
555	H	64.1	Low	58.5	Low	60 Å²	60	94.7 Å²	94.7	28%	0.278	46%	0.456	S	S	.	.	H	α-helix	trans	-87	-36.1	-178.3	-63.1	-47.1	0	0	0	112.7	C535 E537 C538 H551 K552 K557	C535-H555 PolarHBondContact SG-CD2 3.16Å; C535-H555 PolarHBondContact SG-NE2 2.79Å; E537-H555 HydrophobicContact CB-CB 4.38Å; E537-H555 WeakPolarHBondContact OE2-CB 3.28Å; E537-H555 IonicContact OE2-CD2 2.79Å; E537-H555 PolarHBondContact OE2-CD2 2.73Å; E537-H555 IonicContact OE2-CG 3.02Å; E537-H555 VanDerWaalsContact OE2-CG 3.25Å; C538-H555 WeakPolarHBondContact CB-CE1 3.46Å; C538-H555 PolarHBondContact SG-CE1 2.99Å; C538-H555 PolarHBondContact SG-NE2 3.2Å; H551-H555 AromaticContact CD2-NE2 3.73Å; H551-H555 AromaticContact CE1-CE1 3.81Å; H551-H555 AromaticContact CE1-NE2 3.36Å; H551-H555 PolarHBondContact CE1-NE2 3.42Å; H551-H555 AromaticContact NE2-CD2 3.88Å; H551-H555 AromaticContact NE2-CE1 3.79Å; H551-H555 AromaticContact NE2-NE2 2.96Å; H551-H555 PolarHBondContact NE2-NE2 3.45Å; K552-H555 PolarHBondContact O-N 2.74Å; K552-H555 VanDerWaalsContact O-N 3.13Å; H555-K557 PolarHBondContact O-N 3.39Å
556	T	54.9	Low	57.4	Low	66 Å²	66	97.8 Å²	97.8	41%	0.405	46%	0.462	S	S	.	.	S	Bend	trans	-70.4	95.1	166.6	54	0	0	0	0	108.1	K552 I553 E558	K552-T556 PolarHBondContact O-N 3.28Å; K552-T556 PolarHBondContact O-OG1 3.48Å; I553-T556 WeakPolarHBondContact CA-OG1 3.26Å; I553-T556 PolarHBondContact O-OG1 3.42Å; T556-E558 PolarHBondContact O-N 3.24Å
557	K	47.8	Very low	56.4	Low	207 Å²	207	94.8 Å²	94.8	90%	0.9	47%	0.467	S	S	*	.			trans	-59.5	8.6	170.8	-81.3	-176.8	-179.8	174.3	0	113.7	H555 K559	H555-K557 PolarHBondContact O-N 3.39Å; K557-K559 PolarHBondContact O-N 3.5Å
558	E	45	Very low	55	Low	138 Å²	138	99 Å²	99	65%	0.645	48%	0.484	S	S	*	.			trans	-73.1	105.6	160.7	-74.1	-165.6	146.8	0	0	110.9	T556 L560	T556-E558 PolarHBondContact O-N 3.24Å; E558-L560 PolarHBondContact O-N 3.48Å
559	K	45.6	Very low	53.7	Low	145 Å²	145	101 Å²	101	63%	0.63	50%	0.504	S	S	*	.			trans	-61.9	74.9	162.1	-72.6	174.2	176.6	174.6	0	110.1	K557 N561 K562	K557-K559 PolarHBondContact O-N 3.5Å; K559-N561 PolarHBondContact O-N 3.25Å; K559-K562 HydrophobicContact CB-CD 4.4Å; K559-K562 HydrophobicContact CB-CG 4.15Å
560	L	42.3	Very low	52.9	Low	121 Å²	121	98.8 Å²	98.8	63%	0.634	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	122.9	168.3	-97	151.8	0	0	0	109	E558	E558-L560 PolarHBondContact O-N 3.48Å
561	N	50.8	Low	52	Low	30 Å²	30	101.6 Å²	101.6	16%	0.16	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	47.5	-172.8	-49.8	-63.9	0	0	0	116.5	K559 F570 R576	K559-N561 PolarHBondContact O-N 3.25Å; N561-F570 HydrophobicContact CB-CB 4.38Å; N561-F570 PolarHBondContact O-N 2.98Å; N561-R576 HydrophobicContact CB-CB 4.03Å; N561-R576 HydrophobicContact CB-CG 4.44Å; N561-R576 PolarHBondContact OD1-NE 3.07Å
562	K	42.3	Very low	51	Low	100 Å²	100	105.3 Å²	105.3	44%	0.435	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-76.6	143.8	152.7	-66.5	179.6	-177.2	173	0	110.2	K559 K568 R576	K559-K562 HydrophobicContact CB-CD 4.4Å; K559-K562 HydrophobicContact CB-CG 4.15Å; K562-K568 WeakPolarHBondContact CA-O 3.33Å; K562-R576 WeakPolarHBondContact O-CD 3.27Å; K562-R576 PolarHBondContact O-NH1 3.22Å; K562-R576 VanDerWaalsContact O-NH1 3.12Å
563	C	45.9	Very low	50.2	Low	8 Å²	8	104.1 Å²	104.1	5%	0.054	52%	0.524	C	S	.	.			trans	-82.2	120.2	157.9	-171.2	0	0	0	0	107.3	E565 F566 G567 K568	C563-E565 PolarHBondContact O-N 3.47Å; C563-F566 PolarHBondContact O-N 3.31Å; C563-G567 PolarHBondContact O-N 3.29Å; C563-K568 PolarHBondContact N-O 3.14Å
564	E	49.5	Very low	49.6	Very low	198 Å²	198	102.2 Å²	102.2	93%	0.925	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.4	-176.6	-79.2	171.2	168.6	0	0	112.8
565	E	49.3	Very low	49.3	Very low	119 Å²	119	101.4 Å²	101.4	56%	0.556	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.9	178.6	-71.4	178	141.6	0	0	114.5	C563	C563-E565 PolarHBondContact O-N 3.47Å
566	F	48.6	Very low	49	Very low	127 Å²	127	102.8 Å²	102.8	56%	0.557	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	10.7	-169.3	-61.5	-74.3	0	0	0	115.8	C563 K568	C563-F566 PolarHBondContact O-N 3.31Å; F566-K568 PolarHBondContact O-N 3.02Å
567	G	51.2	Low	49.1	Very low	56 Å²	56	102.9 Å²	102.9	58%	0.577	51%	0.512	S	S	*	.			trans	68.8	-1.4	167.9	0	0	0	0	0	117.4	C563	C563-G567 PolarHBondContact O-N 3.29Å
568	K	45.3	Very low	49.6	Very low	123 Å²	123	95.4 Å²	95.4	54%	0.535	48%	0.481	S	S	.	.			trans	-72.1	129.8	178.1	-77.2	178.9	179.9	170	0	111.7	K562 C563 F566 F570	K562-K568 WeakPolarHBondContact CA-O 3.33Å; C563-K568 PolarHBondContact N-O 3.14Å; F566-K568 PolarHBondContact O-N 3.02Å; K568-F570 HydrophobicContact CB-CE2 3.81Å; K568-F570 HydrophobicContact CB-CZ 4Å; K568-F570 WeakPolarHBondContact O-CE2 3.49Å
569	A	46.4	Very low	50.4	Low	63 Å²	63	89.9 Å²	89.9	52%	0.521	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-102.1	129.4	-178.9	0	0	0	0	0	111.6
570	F	51.7	Low	50.9	Low	48 Å²	48	88.3 Å²	88.3	21%	0.211	45%	0.448	C	S	.	.			trans	-110.8	137.3	-177.8	-64.2	-88.4	0	0	0	112.1	N561 K568 Q572 H575 R576 H579	N561-F570 HydrophobicContact CB-CB 4.38Å; N561-F570 PolarHBondContact O-N 2.98Å; K568-F570 HydrophobicContact CB-CE2 3.81Å; K568-F570 HydrophobicContact CB-CZ 4Å; K568-F570 WeakPolarHBondContact O-CE2 3.49Å; F570-Q572 PolarHBondContact O-N 3.22Å; F570-H575 HydrophobicContact CB-CB 4.34Å; F570-H575 HydrophobicContact CD1-CB 3.91Å; F570-H575 HydrophobicContact CG-CB 4.44Å; F570-R576 HydrophobicContact CB-CB 4.02Å; F570-R576 HydrophobicContact CD2-CB 3.73Å; F570-R576 HydrophobicContact CD2-CG 4Å; F570-R576 HydrophobicContact CG-CB 4Å; F570-H579 HydrophobicContact CE1-CB 3.82Å; F570-H579 AromaticContact CE1-CG 3.94Å; F570-H579 HydrophobicContact CE2-CB 3.86Å; F570-H579 AromaticContact CE2-CD2 3.24Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.26Å; F570-H579 AromaticContact CE2-CG 3.61Å; F570-H579 AromaticContact CE2-NE2 3.82Å; F570-H579 HydrophobicContact CZ-CB 3.41Å; F570-H579 VanDerWaalsContact CZ-CB 3.41Å; F570-H579 AromaticContact CZ-CD2 3.21Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.42Å; F570-H579 AromaticContact CZ-CE1 3.81Å; F570-H579 AromaticContact CZ-CG 3.11Å; F570-H579 AromaticContact CZ-ND1 3.54Å; F570-H579 AromaticContact CZ-NE2 3.61Å
571	K	47	Very low	51.7	Low	206 Å²	206	83.3 Å²	83.3	90%	0.896	42%	0.422	S	S	*	.	S	Bend	trans	-72.2	-9.7	176.4	-64.5	-177.5	179.2	-179.6	0	113.8
572	Q	50.5	Low	51.9	Low	100 Å²	100	86.4 Å²	86.4	47%	0.467	44%	0.438	S	S	.	.	S	Bend	trans	-139.4	139.2	177.5	-60.5	-177.1	14.9	0	0	109.3	F570 S574 H575 R576	F570-Q572 PolarHBondContact O-N 3.22Å; Q572-S574 VanDerWaalsContact C-N 3.32Å; Q572-S574 PolarHBondContact O-N 2.86Å; Q572-S574 PolarHBondContact OE1-OG 2.82Å; Q572-H575 HydrophobicContact CB-CB 4.29Å; Q572-H575 PolarHBondContact O-N 3.03Å; Q572-H575 PolarHBondContact OE1-CE1 3.33Å; Q572-H575 VanDerWaalsContact OE1-CE1 3.28Å; Q572-H575 PolarHBondContact OE1-NE2 2.83Å; Q572-R576 PolarHBondContact O-N 3.02Å
573	S	49.6	Very low	52.5	Low	72 Å²	72	86 Å²	86	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-37.1	176.9	55	0	0	0	0	112.2	H575 R576 T577	S573-H575 VanDerWaalsContact C-N 3.29Å; S573-H575 PolarHBondContact O-N 3.14Å; S573-R576 PolarHBondContact O-N 3.03Å; S573-R576 VanDerWaalsContact O-N 3.15Å; S573-T577 PolarHBondContact O-N 2.88Å; S573-T577 PolarHBondContact O-OG1 3.5Å; S573-T577 VanDerWaalsContact O-OG1 3.08Å
574	S	50.8	Low	52.9	Low	54 Å²	54	88.2 Å²	88.2	38%	0.378	45%	0.45	S	S	.	.	H	α-helix	trans	-56.1	-41.1	173	51.9	0	0	0	0	112.5	Q572 T577 I578	Q572-S574 VanDerWaalsContact C-N 3.32Å; Q572-S574 PolarHBondContact O-N 2.86Å; Q572-S574 PolarHBondContact OE1-OG 2.82Å; S574-T577 PolarHBondContact O-N 3.02Å; S574-I578 WeakPolarHBondContact O-CB 3.31Å; S574-I578 WeakPolarHBondContact O-CD1 3.24Å; S574-I578 WeakPolarHBondContact O-CG1 3.39Å; S574-I578 PolarHBondContact O-N 3.3Å
575	H	56	Low	53	Low	88 Å²	88	81.2 Å²	81.2	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-71.7	-33.8	178.2	-63.6	169	0	0	0	112.4	F570 Q572 S573 H579	F570-H575 HydrophobicContact CB-CB 4.34Å; F570-H575 HydrophobicContact CD1-CB 3.91Å; F570-H575 HydrophobicContact CG-CB 4.44Å; Q572-H575 HydrophobicContact CB-CB 4.29Å; Q572-H575 PolarHBondContact O-N 3.03Å; Q572-H575 PolarHBondContact OE1-CE1 3.33Å; Q572-H575 VanDerWaalsContact OE1-CE1 3.28Å; Q572-H575 PolarHBondContact OE1-NE2 2.83Å; S573-H575 VanDerWaalsContact C-N 3.29Å; S573-H575 PolarHBondContact O-N 3.14Å; H575-H579 VanDerWaalsContact O-CB 3.25Å; H575-H579 WeakPolarHBondContact O-CB 3.31Å; H575-H579 PolarHBondContact O-N 3.5Å
576	R	58.7	Low	53.4	Low	90 Å²	90	81.1 Å²	81.1	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-45.9	170.6	-178.1	-176.4	68.9	168.4	4.8	111.2	N561 K562 F570 Q572 S573 I578 H579 K580	N561-R576 HydrophobicContact CB-CB 4.03Å; N561-R576 HydrophobicContact CB-CG 4.44Å; N561-R576 PolarHBondContact OD1-NE 3.07Å; K562-R576 WeakPolarHBondContact O-CD 3.27Å; K562-R576 PolarHBondContact O-NH1 3.22Å; K562-R576 VanDerWaalsContact O-NH1 3.12Å; F570-R576 HydrophobicContact CB-CB 4.02Å; F570-R576 HydrophobicContact CD2-CB 3.73Å; F570-R576 HydrophobicContact CD2-CG 4Å; F570-R576 HydrophobicContact CG-CB 4Å; Q572-R576 PolarHBondContact O-N 3.02Å; S573-R576 PolarHBondContact O-N 3.03Å; S573-R576 VanDerWaalsContact O-N 3.15Å; R576-I578 VanDerWaalsContact C-N 3.33Å; R576-I578 PolarHBondContact O-N 3.39Å; R576-H579 WeakPolarHBondContact O-CB 3.45Å; R576-H579 PolarHBondContact O-N 2.99Å; R576-H579 VanDerWaalsContact O-N 3.15Å; R576-K580 PolarHBondContact O-N 3.44Å
577	T	56	Low	53.8	Low	68 Å²	68	80.9 Å²	80.9	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-45.2	179	-56.8	0	0	0	0	110.6	S573 S574 H579 K580 I581	S573-T577 PolarHBondContact O-N 2.88Å; S573-T577 PolarHBondContact O-OG1 3.5Å; S573-T577 VanDerWaalsContact O-OG1 3.08Å; S574-T577 PolarHBondContact O-N 3.02Å; T577-H579 VanDerWaalsContact C-N 3.33Å; T577-H579 PolarHBondContact O-N 3.34Å; T577-K580 PolarHBondContact O-N 3.29Å; T577-I581 HydrophobicContact CG2-CD1 3.89Å; T577-I581 WeakPolarHBondContact O-CD1 3.34Å; T577-I581 WeakPolarHBondContact O-CG1 3.49Å; T577-I581 PolarHBondContact O-N 2.73Å
578	I	58.2	Low	54.1	Low	50 Å²	50	81.9 Å²	81.9	26%	0.256	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-42.6	174	-67.5	164.6	0	0	0	111.2	S574 R576 I581 I582 Q600	S574-I578 WeakPolarHBondContact O-CB 3.31Å; S574-I578 WeakPolarHBondContact O-CD1 3.24Å; S574-I578 WeakPolarHBondContact O-CG1 3.39Å; S574-I578 PolarHBondContact O-N 3.3Å; R576-I578 VanDerWaalsContact C-N 3.33Å; R576-I578 PolarHBondContact O-N 3.39Å; I578-I581 PolarHBondContact O-N 3.08Å; I578-I582 HydrophobicContact CG2-CD1 3.72Å; I578-I582 HydrophobicContact CG2-CG1 4.41Å; I578-I582 WeakPolarHBondContact O-CD1 3.41Å; I578-I582 VanDerWaalsContact O-CG1 3.22Å; I578-I582 WeakPolarHBondContact O-CG1 3.23Å; I578-I582 PolarHBondContact O-N 3.43Å; I578-Q600 HydrophobicContact CG1-CG 4.3Å; I578-Q600 HydrophobicContact CG2-CG 4.29Å
579	H	63.3	Low	54.7	Low	21 Å²	21	79.6 Å²	79.6	10%	0.097	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177.9	177.4	72.3	0	0	0	112.9	F570 H575 R576 T577 I582 H583	F570-H579 HydrophobicContact CE1-CB 3.82Å; F570-H579 AromaticContact CE1-CG 3.94Å; F570-H579 HydrophobicContact CE2-CB 3.86Å; F570-H579 AromaticContact CE2-CD2 3.24Å; F570-H579 WeakPolarHBondContact CE2-CD2 3.26Å; F570-H579 AromaticContact CE2-CG 3.61Å; F570-H579 AromaticContact CE2-NE2 3.82Å; F570-H579 HydrophobicContact CZ-CB 3.41Å; F570-H579 VanDerWaalsContact CZ-CB 3.41Å; F570-H579 AromaticContact CZ-CD2 3.21Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.42Å; F570-H579 AromaticContact CZ-CE1 3.81Å; F570-H579 AromaticContact CZ-CG 3.11Å; F570-H579 AromaticContact CZ-ND1 3.54Å; F570-H579 AromaticContact CZ-NE2 3.61Å; H575-H579 VanDerWaalsContact O-CB 3.25Å; H575-H579 WeakPolarHBondContact O-CB 3.31Å; H575-H579 PolarHBondContact O-N 3.5Å; R576-H579 WeakPolarHBondContact O-CB 3.45Å; R576-H579 PolarHBondContact O-N 2.99Å; R576-H579 VanDerWaalsContact O-N 3.15Å; T577-H579 VanDerWaalsContact C-N 3.33Å; T577-H579 PolarHBondContact O-N 3.34Å; H579-I582 PolarHBondContact O-N 3.47Å; H579-H583 AromaticContact CD2-CD2 3.96Å; H579-H583 AromaticContact CE1-CD2 3.22Å; H579-H583 PolarHBondContact CE1-CD2 3.09Å; H579-H583 AromaticContact CE1-NE2 2.97Å; H579-H583 PolarHBondContact CE1-NE2 2.92Å; H579-H583 AromaticContact CG-CD2 3.99Å; H579-H583 AromaticContact ND1-CD2 3.53Å; H579-H583 AromaticContact ND1-NE2 3.55Å; H579-H583 AromaticContact NE2-CD2 3.55Å; H579-H583 AromaticContact NE2-NE2 3.62Å; H579-H583 PolarHBondContact O-CD2 2.91Å; H579-H583 VanDerWaalsContact O-CD2 3.25Å; H579-H583 PolarHBondContact O-N 3.28Å
580	K	55.6	Low	54.7	Low	112 Å²	112	83.1 Å²	83.1	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-45.1	175.9	-169.3	175.5	179.3	178.6	0	110.9	R576 T577 I582 H583 T584	R576-K580 PolarHBondContact O-N 3.44Å; T577-K580 PolarHBondContact O-N 3.29Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 3.22Å; K580-H583 PolarHBondContact O-N 3.26Å; K580-H583 VanDerWaalsContact O-N 3.08Å; K580-T584 HydrophobicContact CG-CG2 4.27Å; K580-T584 PolarHBondContact O-N 3.01Å; K580-T584 PolarHBondContact O-OG1 3.35Å
581	I	58.6	Low	54.6	Low	16 Å²	16	81 Å²	81	8%	0.082	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-34.1	177.9	-63.8	167.5	0	0	0	112.2	T577 I578 H583 G585 E586 P588 Y589 N599	T577-I581 HydrophobicContact CG2-CD1 3.89Å; T577-I581 WeakPolarHBondContact O-CD1 3.34Å; T577-I581 WeakPolarHBondContact O-CG1 3.49Å; T577-I581 PolarHBondContact O-N 2.73Å; I578-I581 PolarHBondContact O-N 3.08Å; I581-H583 VanDerWaalsContact C-N 3.3Å; I581-H583 PolarHBondContact O-N 3.44Å; I581-G585 PolarHBondContact O-N 3.05Å; I581-E586 WeakPolarHBondContact CG2-O 3.48Å; I581-P588 HydrophobicContact CD1-CG 3.96Å; I581-P588 HydrophobicContact CG1-CG 4.36Å; I581-P588 HydrophobicContact CG2-CG 4.39Å; I581-Y589 HydrophobicContact CD1-CE2 4.4Å; I581-N599 HydrophobicContact CG2-CB 3.68Å; I581-N599 WeakPolarHBondContact CG2-O 3.44Å
582	I	56.3	Low	55	Low	96 Å²	96	79.8 Å²	79.8	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-67.6	-32	174.6	-70.6	164.8	0	0	0	111.5	I578 H579 K580	I578-I582 HydrophobicContact CG2-CD1 3.72Å; I578-I582 HydrophobicContact CG2-CG1 4.41Å; I578-I582 WeakPolarHBondContact O-CD1 3.41Å; I578-I582 VanDerWaalsContact O-CG1 3.22Å; I578-I582 WeakPolarHBondContact O-CG1 3.23Å; I578-I582 PolarHBondContact O-N 3.43Å; H579-I582 PolarHBondContact O-N 3.47Å; K580-I582 VanDerWaalsContact C-N 3.32Å; K580-I582 PolarHBondContact O-N 3.22Å
583	H	54.8	Low	55.1	Low	91 Å²	91	81.3 Å²	81.3	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-85.9	-42.1	-178.3	-83.1	-69	0	0	0	113.7	H579 K580 I581 G585	H579-H583 AromaticContact CD2-CD2 3.96Å; H579-H583 AromaticContact CE1-CD2 3.22Å; H579-H583 PolarHBondContact CE1-CD2 3.09Å; H579-H583 AromaticContact CE1-NE2 2.97Å; H579-H583 PolarHBondContact CE1-NE2 2.92Å; H579-H583 AromaticContact CG-CD2 3.99Å; H579-H583 AromaticContact ND1-CD2 3.53Å; H579-H583 AromaticContact ND1-NE2 3.55Å; H579-H583 AromaticContact NE2-CD2 3.55Å; H579-H583 AromaticContact NE2-NE2 3.62Å; H579-H583 PolarHBondContact O-CD2 2.91Å; H579-H583 VanDerWaalsContact O-CD2 3.25Å; H579-H583 PolarHBondContact O-N 3.28Å; K580-H583 PolarHBondContact O-N 3.26Å; K580-H583 VanDerWaalsContact O-N 3.08Å; I581-H583 VanDerWaalsContact C-N 3.3Å; I581-H583 PolarHBondContact O-N 3.44Å; H583-G585 PolarHBondContact O-N 3.45Å
584	T	53.3	Low	55	Low	54 Å²	54	83.1 Å²	83.1	33%	0.331	42%	0.415	S	S	.	.	H	α-helix	trans	-73.8	-12.6	178.3	58.6	0	0	0	0	112.7	K580 E586	K580-T584 HydrophobicContact CG-CG2 4.27Å; K580-T584 PolarHBondContact O-N 3.01Å; K580-T584 PolarHBondContact O-OG1 3.35Å; T584-E586 PolarHBondContact O-N 2.89Å; T584-E586 VanDerWaalsContact O-N 3.08Å; T584-E586 WeakPolarHBondContact OG1-CB 3.49Å; T584-E586 WeakPolarHBondContact OG1-CG 3.25Å; T584-E586 PolarHBondContact OG1-OE2 3.01Å
585	G	52.5	Low	55	Low	52 Å²	52	82.4 Å²	82.4	54%	0.536	42%	0.416	S	S	.	.			trans	67.9	1.8	-174.5	0	0	0	0	0	113.5	I581 H583	I581-G585 PolarHBondContact O-N 3.05Å; H583-G585 PolarHBondContact O-N 3.45Å
586	E	56.7	Low	54.7	Low	117 Å²	117	84 Å²	84	55%	0.547	42%	0.422	S	S	.	.			trans	-61.5	139.3	179	-70.8	174.5	155.7	0	0	109.6	I581 T584 P588	I581-E586 WeakPolarHBondContact CG2-O 3.48Å; T584-E586 PolarHBondContact O-N 2.89Å; T584-E586 VanDerWaalsContact O-N 3.08Å; T584-E586 WeakPolarHBondContact OG1-CB 3.49Å; T584-E586 WeakPolarHBondContact OG1-CG 3.25Å; T584-E586 PolarHBondContact OG1-OE2 3.01Å; E586-P588 VanDerWaalsContact C-CD 3.43Å; E586-P588 WeakPolarHBondContact O-CD 3.22Å
587	K	58.3	Low	54.4	Low	121 Å²	121	82.7 Å²	82.7	53%	0.526	42%	0.423	S	S	.	.			trans	-122.6	73.7	176.8	-64.9	175.7	-176.6	174.2	0	108.4	Y589 V597 F598	K587-Y589 PolarHBondContact O-N 2.93Å; K587-Y589 VanDerWaalsContact O-N 3.1Å; K587-V597 HydrophobicContact CB-CB 3.56Å; K587-V597 HydrophobicContact CB-CG2 3.84Å; K587-V597 HydrophobicContact CD-CB 4.08Å; K587-V597 HydrophobicContact CD-CG2 3.47Å; K587-V597 VanDerWaalsContact CD-CG2 3.47Å; K587-V597 HydrophobicContact CG-CB 4.49Å; K587-V597 HydrophobicContact CG-CG2 4.32Å; K587-F598 CarbonylContact C-O 3.52Å; K587-F598 VanDerWaalsContact C-O 3.26Å; K587-F598 WeakPolarHBondContact CA-O 3.47Å
588	P	56.2	Low	54.7	Low	77 Å²	77	81 Å²	81	50%	0.5	41%	0.41	S	S	.	.			trans	-69.3	-11.5	-167.8	25.4	-32.9	0	0	0	113.7	I581 E586	I581-P588 HydrophobicContact CD1-CG 3.96Å; I581-P588 HydrophobicContact CG1-CG 4.36Å; I581-P588 HydrophobicContact CG2-CG 4.39Å; E586-P588 VanDerWaalsContact C-CD 3.43Å; E586-P588 WeakPolarHBondContact O-CD 3.22Å
589	Y	57.9	Low	54.3	Low	76 Å²	76	81.2 Å²	81.2	30%	0.298	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	94.6	-178.1	-57.5	-70.9	0	0	0	110.2	I581 K587 V597 F598 Q600	I581-Y589 HydrophobicContact CD1-CE2 4.4Å; K587-Y589 PolarHBondContact O-N 2.93Å; K587-Y589 VanDerWaalsContact O-N 3.1Å; Y589-V597 CarbonylContact O-C 3.6Å; Y589-V597 WeakPolarHBondContact O-CA 3.33Å; Y589-F598 WeakPolarHBondContact CB-O 3.23Å; Y589-F598 PolarHBondContact N-O 3.43Å; Y589-F598 WeakPolarHBondContact O-CD2 3.28Å; Y589-F598 PolarHBondContact O-N 3.35Å; Y589-Q600 VanDerWaalsContact CD2-C 3.42Å
590	K	46.3	Very low	53.9	Low	137 Å²	137	82.7 Å²	82.7	60%	0.596	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.7	178.3	-170.4	175	179.1	-176.2	0	111.2	V597	K590-V597 HydrophobicContact CB-CG1 3.97Å; K590-V597 HydrophobicContact CD-CG1 4.42Å; K590-V597 HydrophobicContact CG-CG1 3.86Å
591	C	50.8	Low	53.6	Low	4 Å²	4	80.4 Å²	80.4	3%	0.027	42%	0.417	C	S	.	.			trans	-82.5	121.3	165.6	-172.5	0	0	0	0	108.8	E593 G595 K596 F598 L604	C591-E593 VanDerWaalsContact C-N 3.31Å; C591-E593 PolarHBondContact O-N 3.5Å; C591-G595 WeakPolarHBondContact O-CA 3.46Å; C591-G595 PolarHBondContact O-N 2.82Å; C591-K596 WeakPolarHBondContact CB-O 3.23Å; C591-K596 PolarHBondContact N-O 3.31Å; C591-F598 HydrophobicContact CB-CE2 4.21Å; C591-L604 HydrophobicContact CB-CD1 3.78Å
592	E	54.7	Low	53.2	Low	180 Å²	180	82.4 Å²	82.4	84%	0.841	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-28	-178.4	-71.6	170.5	175.7	0	0	112.5
593	E	51.9	Low	53.2	Low	131 Å²	131	80.5 Å²	80.5	61%	0.612	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-28.6	-176.5	-70.5	-178.1	166.9	0	0	114.5	C591 H611	C591-E593 VanDerWaalsContact C-N 3.31Å; C591-E593 PolarHBondContact O-N 3.5Å; E593-H611 WeakPolarHBondContact OE2-CB 3.4Å; E593-H611 IonicContact OE2-CD2 2.99Å; E593-H611 IonicContact OE2-CG 3.14Å; E593-H611 VanDerWaalsContact OE2-CG 3.27Å; E593-H611 IonicContact OE2-ND1 3.99Å
594	H	48.7	Very low	53.1	Low	111 Å²	111	77.2 Å²	77.2	51%	0.514	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	6.8	-174.3	-62	-87.5	0	0	0	114	K596 H611	H594-K596 PolarHBondContact O-N 3.2Å; H594-H611 AromaticContact CD2-CD2 3.89Å; H594-H611 AromaticContact CD2-CE1 2.79Å; H594-H611 PolarHBondContact CD2-CE1 3.28Å; H594-H611 AromaticContact CD2-ND1 3.44Å; H594-H611 PolarHBondContact CD2-ND1 3.01Å; H594-H611 AromaticContact CD2-NE2 3.07Å; H594-H611 PolarHBondContact CD2-NE2 3.07Å; H594-H611 AromaticContact CE1-CE1 3.75Å; H594-H611 AromaticContact CG-CE1 3.58Å; H594-H611 AromaticContact CG-NE2 3.8Å; H594-H611 AromaticContact NE2-CE1 2.93Å; H594-H611 PolarHBondContact NE2-CE1 3.27Å; H594-H611 AromaticContact NE2-ND1 3.22Å; H594-H611 PolarHBondContact NE2-ND1 2.99Å; H594-H611 AromaticContact NE2-NE2 3.71Å
595	G	50.3	Low	53.1	Low	39 Å²	39	78.4 Å²	78.4	40%	0.402	42%	0.416	S	S	.	.			trans	65.6	-0.2	-179.5	0	0	0	0	0	115.6	C591 V597	C591-G595 WeakPolarHBondContact O-CA 3.46Å; C591-G595 PolarHBondContact O-N 2.82Å; G595-V597 PolarHBondContact O-N 2.9Å
596	K	50.1	Low	53.1	Low	122 Å²	122	78.5 Å²	78.5	53%	0.53	41%	0.406	S	S	.	.			trans	-65.6	129.3	178.8	-75	179.9	-178.3	168.1	0	110.7	C591 H594 F598	C591-K596 WeakPolarHBondContact CB-O 3.23Å; C591-K596 PolarHBondContact N-O 3.31Å; H594-K596 PolarHBondContact O-N 3.2Å; K596-F598 HydrophobicContact CB-CE2 4.08Å; K596-F598 HydrophobicContact CB-CZ 3.85Å; K596-F598 WeakPolarHBondContact O-CE2 2.87Å
597	V	52.1	Low	53.1	Low	62 Å²	62	75.5 Å²	75.5	38%	0.376	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.8	-175	-74.8	0	0	0	0	110.8	K587 Y589 K590 G595	K587-V597 HydrophobicContact CB-CB 3.56Å; K587-V597 HydrophobicContact CB-CG2 3.84Å; K587-V597 HydrophobicContact CD-CB 4.08Å; K587-V597 HydrophobicContact CD-CG2 3.47Å; K587-V597 VanDerWaalsContact CD-CG2 3.47Å; K587-V597 HydrophobicContact CG-CB 4.49Å; K587-V597 HydrophobicContact CG-CG2 4.32Å; Y589-V597 CarbonylContact O-C 3.6Å; Y589-V597 WeakPolarHBondContact O-CA 3.33Å; K590-V597 HydrophobicContact CB-CG1 3.97Å; K590-V597 HydrophobicContact CD-CG1 4.42Å; K590-V597 HydrophobicContact CG-CG1 3.86Å; G595-V597 PolarHBondContact O-N 2.9Å
598	F	62.1	Low	52.9	Low	32 Å²	32	74.8 Å²	74.8	14%	0.14	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.7	-175.5	-55.4	-79.2	0	0	0	112.1	K587 Y589 C591 K596 N603 L604 Q607	K587-F598 CarbonylContact C-O 3.52Å; K587-F598 VanDerWaalsContact C-O 3.26Å; K587-F598 WeakPolarHBondContact CA-O 3.47Å; Y589-F598 WeakPolarHBondContact CB-O 3.23Å; Y589-F598 PolarHBondContact N-O 3.43Å; Y589-F598 WeakPolarHBondContact O-CD2 3.28Å; Y589-F598 PolarHBondContact O-N 3.35Å; C591-F598 HydrophobicContact CB-CE2 4.21Å; K596-F598 HydrophobicContact CB-CE2 4.08Å; K596-F598 HydrophobicContact CB-CZ 3.85Å; K596-F598 WeakPolarHBondContact O-CE2 2.87Å; F598-N603 HydrophobicContact CB-CB 4.12Å; F598-N603 HydrophobicContact CD1-CB 4.04Å; F598-N603 HydrophobicContact CG-CB 4.22Å; F598-L604 HydrophobicContact CD2-CB 3.93Å; F598-L604 HydrophobicContact CD2-CD1 3.87Å; F598-L604 HydrophobicContact CE2-CD1 4Å; F598-Q607 HydrophobicContact CE1-CB 4.43Å; F598-Q607 HydrophobicContact CE1-CG 3.64Å; F598-Q607 HydrophobicContact CE2-CB 3.98Å; F598-Q607 HydrophobicContact CE2-CG 4.09Å; F598-Q607 HydrophobicContact CZ-CB 3.72Å; F598-Q607 HydrophobicContact CZ-CG 3.37Å
599	N	50	Low	52.9	Low	55 Å²	55	73.4 Å²	73.4	29%	0.294	38%	0.377	S	S	.	.	S	Bend	trans	-86.3	-11.1	176.5	59.7	2.5	0	0	0	113.7	I581 N603	I581-N599 HydrophobicContact CG2-CB 3.68Å; I581-N599 WeakPolarHBondContact CG2-O 3.44Å; N599-N603 PolarHBondContact OD1-ND2 3.43Å
600	Q	54.3	Low	52.7	Low	52 Å²	52	74.1 Å²	74.1	24%	0.243	39%	0.385	C	S	.	.	S	Bend	trans	-137.5	140.5	179	-58.3	179.1	8.8	0	0	111	I578 Y589 S602 N603 L604	I578-Q600 HydrophobicContact CG1-CG 4.3Å; I578-Q600 HydrophobicContact CG2-CG 4.29Å; Y589-Q600 VanDerWaalsContact CD2-C 3.42Å; Q600-S602 VanDerWaalsContact C-N 3.26Å; Q600-S602 PolarHBondContact O-N 3.08Å; Q600-S602 PolarHBondContact OE1-OG 2.92Å; Q600-N603 HydrophobicContact CB-CB 4.43Å; Q600-N603 WeakPolarHBondContact O-CB 3.44Å; Q600-N603 PolarHBondContact O-N 3.17Å; Q600-L604 PolarHBondContact O-N 3.04Å
601	S	50	Low	52.9	Low	63 Å²	63	70.6 Å²	70.6	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-64.5	-29.6	177.9	60.5	0	0	0	0	112.9	N603 L604 T605	S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 2.52Å; S601-L604 PolarHBondContact O-N 3.46Å; S601-T605 WeakPolarHBondContact O-CB 3.27Å; S601-T605 PolarHBondContact O-N 3.11Å; S601-T605 PolarHBondContact O-OG1 3.11Å
602	S	50.3	Low	52.8	Low	58 Å²	58	74.3 Å²	74.3	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-62.8	-33.9	171.9	48.2	0	0	0	0	112.2	Q600 T606	Q600-S602 VanDerWaalsContact C-N 3.26Å; Q600-S602 PolarHBondContact O-N 3.08Å; Q600-S602 PolarHBondContact OE1-OG 2.92Å; S602-T606 WeakPolarHBondContact O-CB 3.06Å; S602-T606 PolarHBondContact O-N 3.25Å; S602-T606 PolarHBondContact O-OG1 2.9Å
603	N	56.9	Low	52.5	Low	57 Å²	57	68 Å²	68	31%	0.305	38%	0.376	S	S	.	.	H	α-helix	trans	-74.7	-41.8	178.8	-63	-15.7	0	0	0	110.8	F598 N599 Q600 S601 T605 T606 Q607	F598-N603 HydrophobicContact CB-CB 4.12Å; F598-N603 HydrophobicContact CD1-CB 4.04Å; F598-N603 HydrophobicContact CG-CB 4.22Å; N599-N603 PolarHBondContact OD1-ND2 3.43Å; Q600-N603 HydrophobicContact CB-CB 4.43Å; Q600-N603 WeakPolarHBondContact O-CB 3.44Å; Q600-N603 PolarHBondContact O-N 3.17Å; S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 2.52Å; N603-T605 VanDerWaalsContact C-N 3.34Å; N603-T606 WeakPolarHBondContact O-CB 3.46Å; N603-T606 PolarHBondContact O-N 3.38Å; N603-Q607 WeakPolarHBondContact O-CB 3.34Å; N603-Q607 VanDerWaalsContact O-CG 3.3Å; N603-Q607 WeakPolarHBondContact O-CG 3.4Å; N603-Q607 PolarHBondContact O-N 3.2Å
604	L	52.7	Low	52.4	Low	22 Å²	22	65.5 Å²	65.5	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-41.8	170.9	177.7	64.2	0	0	0	111.5	C591 F598 Q600 S601 T606 Q607 K608	C591-L604 HydrophobicContact CB-CD1 3.78Å; F598-L604 HydrophobicContact CD2-CB 3.93Å; F598-L604 HydrophobicContact CD2-CD1 3.87Å; F598-L604 HydrophobicContact CE2-CD1 4Å; Q600-L604 PolarHBondContact O-N 3.04Å; S601-L604 PolarHBondContact O-N 3.46Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 3.23Å; L604-Q607 PolarHBondContact O-N 2.94Å; L604-K608 HydrophobicContact CD1-CG 4.33Å; L604-K608 HydrophobicContact CG-CD 4.41Å; L604-K608 WeakPolarHBondContact O-CG 3.27Å; L604-K608 PolarHBondContact O-N 3.49Å
605	T	51.6	Low	52.6	Low	79 Å²	79	63.6 Å²	63.6	49%	0.485	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-41.6	175.2	-52	0	0	0	0	111	S601 N603 Q607 I609	S601-T605 WeakPolarHBondContact O-CB 3.27Å; S601-T605 PolarHBondContact O-N 3.11Å; S601-T605 PolarHBondContact O-OG1 3.11Å; N603-T605 VanDerWaalsContact C-N 3.34Å; T605-Q607 VanDerWaalsContact C-N 3.32Å; T605-Q607 PolarHBondContact O-N 3.43Å; T605-I609 HydrophobicContact CG2-CD1 4.16Å; T605-I609 WeakPolarHBondContact O-CD1 3.39Å; T605-I609 WeakPolarHBondContact O-CG1 3.47Å; T605-I609 PolarHBondContact O-N 3.24Å; T605-I609 VanDerWaalsContact O-N 3.11Å
606	T	53.3	Low	52.4	Low	54 Å²	54	63.7 Å²	63.7	33%	0.331	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.9	-56	0	0	0	0	111.3	S602 N603 L604 I609 I610	S602-T606 WeakPolarHBondContact O-CB 3.06Å; S602-T606 PolarHBondContact O-N 3.25Å; S602-T606 PolarHBondContact O-OG1 2.9Å; N603-T606 WeakPolarHBondContact O-CB 3.46Å; N603-T606 PolarHBondContact O-N 3.38Å; L604-T606 VanDerWaalsContact C-N 3.32Å; L604-T606 PolarHBondContact O-N 3.23Å; T606-I609 PolarHBondContact O-N 3.19Å; T606-I610 HydrophobicContact CG2-CD1 4.21Å; T606-I610 WeakPolarHBondContact O-CD1 3.42Å; T606-I610 VanDerWaalsContact O-CG1 3.27Å; T606-I610 WeakPolarHBondContact O-CG1 3.46Å; T606-I610 PolarHBondContact O-N 3Å
607	Q	57.5	Low	52.4	Low	54 Å²	54	59.9 Å²	59.9	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-76.9	-34	-179.7	-73.3	-79.3	-12.7	0	0	113.2	F598 N603 L604 T605 I609 I610 H611	F598-Q607 HydrophobicContact CE1-CB 4.43Å; F598-Q607 HydrophobicContact CE1-CG 3.64Å; F598-Q607 HydrophobicContact CE2-CB 3.98Å; F598-Q607 HydrophobicContact CE2-CG 4.09Å; F598-Q607 HydrophobicContact CZ-CB 3.72Å; F598-Q607 HydrophobicContact CZ-CG 3.37Å; N603-Q607 WeakPolarHBondContact O-CB 3.34Å; N603-Q607 VanDerWaalsContact O-CG 3.3Å; N603-Q607 WeakPolarHBondContact O-CG 3.4Å; N603-Q607 PolarHBondContact O-N 3.2Å; L604-Q607 PolarHBondContact O-N 2.94Å; T605-Q607 VanDerWaalsContact C-N 3.32Å; T605-Q607 PolarHBondContact O-N 3.43Å; Q607-I609 VanDerWaalsContact C-N 3.28Å; Q607-I609 PolarHBondContact O-N 3.22Å; Q607-I610 PolarHBondContact O-N 3.06Å; Q607-I610 VanDerWaalsContact O-N 3.15Å; Q607-H611 PolarHBondContact O-CD2 3.09Å; Q607-H611 VanDerWaalsContact O-CD2 3.27Å; Q607-H611 PolarHBondContact O-N 3.46Å
608	K	53.5	Low	51.9	Low	105 Å²	105	64 Å²	64	46%	0.457	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-36.4	168.3	-73.4	-174.8	177.1	-164	0	112	L604 I610 H611 T612	L604-K608 HydrophobicContact CD1-CG 4.33Å; L604-K608 HydrophobicContact CG-CD 4.41Å; L604-K608 WeakPolarHBondContact O-CG 3.27Å; L604-K608 PolarHBondContact O-N 3.49Å; K608-I610 VanDerWaalsContact C-N 3.33Å; K608-H611 PolarHBondContact O-N 2.92Å; K608-T612 PolarHBondContact O-N 3.41Å; K608-T612 PolarHBondContact O-OG1 3.08Å
609	I	55.3	Low	50.8	Low	48 Å²	48	64.8 Å²	64.8	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-69.5	-31.5	174	-68.4	165.2	0	0	0	111.7	T605 T606 Q607 T612 E614	T605-I609 HydrophobicContact CG2-CD1 4.16Å; T605-I609 WeakPolarHBondContact O-CD1 3.39Å; T605-I609 WeakPolarHBondContact O-CG1 3.47Å; T605-I609 PolarHBondContact O-N 3.24Å; T605-I609 VanDerWaalsContact O-N 3.11Å; T606-I609 PolarHBondContact O-N 3.19Å; Q607-I609 VanDerWaalsContact C-N 3.28Å; Q607-I609 PolarHBondContact O-N 3.22Å; I609-T612 PolarHBondContact O-OG1 3.34Å; I609-E614 WeakPolarHBondContact CG2-O 3.46Å; I609-E614 PolarHBondContact O-N 3.13Å
610	I	54.5	Low	50.4	Low	91 Å²	91	71.7 Å²	71.7	47%	0.467	38%	0.379	S	S	.	.	H	α-helix	trans	-71.5	-38	174.4	-68.7	162.2	0	0	0	110.9	T606 Q607 K608 G613	T606-I610 HydrophobicContact CG2-CD1 4.21Å; T606-I610 WeakPolarHBondContact O-CD1 3.42Å; T606-I610 VanDerWaalsContact O-CG1 3.27Å; T606-I610 WeakPolarHBondContact O-CG1 3.46Å; T606-I610 PolarHBondContact O-N 3Å; Q607-I610 PolarHBondContact O-N 3.06Å; Q607-I610 VanDerWaalsContact O-N 3.15Å; K608-I610 VanDerWaalsContact C-N 3.33Å; I610-G613 PolarHBondContact O-N 2.77Å
611	H	49.9	Very low	49.7	Very low	63 Å²	63	75.3 Å²	75.3	29%	0.292	40%	0.395	S	S	.	.	H	α-helix	trans	-65.7	-36.3	178.2	-86.6	-57	0	0	0	114.3	E593 H594 Q607 K608 G613	E593-H611 WeakPolarHBondContact OE2-CB 3.4Å; E593-H611 IonicContact OE2-CD2 2.99Å; E593-H611 IonicContact OE2-CG 3.14Å; E593-H611 VanDerWaalsContact OE2-CG 3.27Å; E593-H611 IonicContact OE2-ND1 3.99Å; H594-H611 AromaticContact CD2-CD2 3.89Å; H594-H611 AromaticContact CD2-CE1 2.79Å; H594-H611 PolarHBondContact CD2-CE1 3.28Å; H594-H611 AromaticContact CD2-ND1 3.44Å; H594-H611 PolarHBondContact CD2-ND1 3.01Å; H594-H611 AromaticContact CD2-NE2 3.07Å; H594-H611 PolarHBondContact CD2-NE2 3.07Å; H594-H611 AromaticContact CE1-CE1 3.75Å; H594-H611 AromaticContact CG-CE1 3.58Å; H594-H611 AromaticContact CG-NE2 3.8Å; H594-H611 AromaticContact NE2-CE1 2.93Å; H594-H611 PolarHBondContact NE2-CE1 3.27Å; H594-H611 AromaticContact NE2-ND1 3.22Å; H594-H611 PolarHBondContact NE2-ND1 2.99Å; H594-H611 AromaticContact NE2-NE2 3.71Å; Q607-H611 PolarHBondContact O-CD2 3.09Å; Q607-H611 VanDerWaalsContact O-CD2 3.27Å; Q607-H611 PolarHBondContact O-N 3.46Å; K608-H611 PolarHBondContact O-N 2.92Å; H611-G613 PolarHBondContact O-N 2.95Å
612	T	49.6	Very low	49.4	Very low	83 Å²	83	77 Å²	77	51%	0.509	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.6	176.4	58.3	0	0	0	0	113.2	K608 I609 E614	K608-T612 PolarHBondContact O-N 3.41Å; K608-T612 PolarHBondContact O-OG1 3.08Å; I609-T612 PolarHBondContact O-OG1 3.34Å; T612-E614 PolarHBondContact O-N 3.34Å; T612-E614 VanDerWaalsContact O-N 3.12Å
613	G	48.1	Very low	49.1	Very low	47 Å²	47	77.8 Å²	77.8	49%	0.485	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	3.2	-173.7	0	0	0	0	0	114.5	I610 H611 N615	I610-G613 PolarHBondContact O-N 2.77Å; H611-G613 PolarHBondContact O-N 2.95Å; G613-N615 VanDerWaalsContact C-N 3.32Å; G613-N615 PolarHBondContact O-N 3.29Å
614	E	49.6	Very low	48.4	Very low	79 Å²	79	81 Å²	81	37%	0.369	43%	0.425	S	S	.	.			trans	-81.7	72.5	-174.6	-70.2	178.9	168	0	0	111.5	D483 I609 T612 L616	D483-E614 WeakPolarHBondContact CB-OE1 3.4Å; I609-E614 WeakPolarHBondContact CG2-O 3.46Å; I609-E614 PolarHBondContact O-N 3.13Å; T612-E614 PolarHBondContact O-N 3.34Å; T612-E614 VanDerWaalsContact O-N 3.12Å; E614-L616 PolarHBondContact O-N 3.39Å
615	N	52.5	Low	47.9	Very low	71 Å²	71	81.9 Å²	81.9	38%	0.38	43%	0.434	S	S	.	.			trans	-66.9	99	162	-77.7	-45.4	0	0	0	109.2	G613 Y617 K618 A625	G613-N615 VanDerWaalsContact C-N 3.32Å; G613-N615 PolarHBondContact O-N 3.29Å; N615-Y617 PolarHBondContact O-N 3.03Å; N615-K618 HydrophobicContact CB-CG 4.1Å; N615-A625 HydrophobicContact CB-CB 3.48Å; N615-A625 VanDerWaalsContact CB-CB 3.48Å; N615-A625 WeakPolarHBondContact ND2-CB 3.39Å; N615-A625 WeakPolarHBondContact OD1-CB 3.4Å
616	L	46.9	Very low	47.8	Very low	40 Å²	40	80.3 Å²	80.3	21%	0.209	42%	0.421	C	S	.	.	S	Bend	trans	-57.2	-11.2	-171	-81.5	167.9	0	0	0	115.8	R484 E614	R484-L616 HydrophobicContact CG-CD2 4.22Å; E614-L616 PolarHBondContact O-N 3.39Å
617	Y	49.4	Very low	47.2	Very low	42 Å²	42	82.1 Å²	82.1	17%	0.165	43%	0.429	C	S	.	.			trans	-159.7	121.8	171.3	-53.1	-82.4	0	0	0	110.4	N615 F626 F629 I632	N615-Y617 PolarHBondContact O-N 3.03Å; Y617-F626 PolarHBondContact O-N 3.49Å; Y617-F629 HydrophobicContact CD1-CD2 4.32Å; Y617-F629 HydrophobicContact CE1-CD2 4.03Å; Y617-F629 HydrophobicContact CE2-CB 4.29Å; Y617-I632 HydrophobicContact CD1-CD1 4.22Å; Y617-I632 HydrophobicContact CD2-CD1 3.71Å; Y617-I632 HydrophobicContact CG-CD1 3.36Å
618	K	41.6	Very low	46.8	Very low	150 Å²	150	83.8 Å²	83.8	65%	0.652	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-108.8	148.7	177.6	-65.8	178.4	-177.6	175.4	0	110	N615	N615-K618 HydrophobicContact CB-CG 4.1Å
619	F	40	Very low	46.2	Very low	48 Å²	48	83.9 Å²	83.9	21%	0.211	44%	0.44	C	S	.	.			trans	-109.7	120	168.8	-160	-100.4	0	0	0	107.8	E621 H622 K636 Y639	F619-E621 VanDerWaalsContact C-N 3.27Å; F619-E621 HydrophobicContact CD1-CB 4.37Å; F619-E621 HydrophobicContact CE1-CB 4.32Å; F619-E621 PolarHBondContact O-N 3.46Å; F619-H622 PolarHBondContact O-N 2.98Å; F619-K636 HydrophobicContact CE2-CB 4.46Å; F619-K636 HydrophobicContact CE2-CD 4.11Å; F619-K636 HydrophobicContact CE2-CG 4.08Å; F619-K636 HydrophobicContact CZ-CG 4.34Å; F619-Y639 HydrophobicContact CE1-CD1 4.39Å
620	E	40.6	Very low	45.6	Very low	200 Å²	200	84.2 Å²	84.2	94%	0.935	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-18.7	-165.6	-77.2	178.1	156.2	0	0	114.7
621	E	39.1	Very low	45.4	Very low	127 Å²	127	82.9 Å²	82.9	59%	0.593	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.6	-178.8	-76.1	-157.7	151	0	0	115.8	F619 Y639	F619-E621 VanDerWaalsContact C-N 3.27Å; F619-E621 HydrophobicContact CD1-CB 4.37Å; F619-E621 HydrophobicContact CE1-CB 4.32Å; F619-E621 PolarHBondContact O-N 3.46Å; E621-Y639 WeakPolarHBondContact OE2-CE1 3.29Å; E621-Y639 PolarHBondContact OE2-OH 3.41Å
622	H	44	Very low	45.5	Very low	100 Å²	100	81 Å²	81	46%	0.463	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	10.8	-170.3	-74.2	-73.6	0	0	0	116.1	F619 K624 Y639	F619-H622 PolarHBondContact O-N 2.98Å; H622-K624 PolarHBondContact O-N 3.26Å; H622-Y639 AromaticContact CD2-CE2 3.58Å; H622-Y639 AromaticContact CD2-CZ 3.67Å; H622-Y639 AromaticContact NE2-CE2 3.37Å; H622-Y639 WeakPolarHBondContact NE2-CE2 3.43Å; H622-Y639 AromaticContact NE2-CZ 3.4Å; H622-Y639 PolarHBondContact NE2-OH 2.96Å
623	G	44.6	Very low	45.7	Very low	73 Å²	73	79.9 Å²	79.9	75%	0.753	43%	0.425	S	S	*	.			trans	61.6	7.6	172.1	0	0	0	0	0	116.2
624	K	42.6	Very low	46.1	Very low	126 Å²	126	79.7 Å²	79.7	55%	0.548	41%	0.413	S	S	.	.			trans	-86.5	120.5	179.6	-74.9	178.7	-175.8	167.2	0	110.7	H622 F626	H622-K624 PolarHBondContact O-N 3.26Å; K624-F626 HydrophobicContact CB-CE2 3.9Å; K624-F626 HydrophobicContact CB-CZ 4.07Å; K624-F626 WeakPolarHBondContact O-CE2 3.19Å
625	A	42.3	Very low	46.6	Very low	39 Å²	39	77.7 Å²	77.7	32%	0.322	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-97.5	142.1	179.8	0	0	0	0	0	112.8	N615	N615-A625 HydrophobicContact CB-CB 3.48Å; N615-A625 VanDerWaalsContact CB-CB 3.48Å; N615-A625 WeakPolarHBondContact ND2-CB 3.39Å; N615-A625 WeakPolarHBondContact OD1-CB 3.4Å
626	F	47.9	Very low	46.7	Very low	46 Å²	46	79.4 Å²	79.4	20%	0.202	41%	0.408	C	S	.	.			trans	-130.6	142.7	-179.8	-59.7	-86.9	0	0	0	111.4	Y617 K624 N631 I632 H635	Y617-F626 PolarHBondContact O-N 3.49Å; K624-F626 HydrophobicContact CB-CE2 3.9Å; K624-F626 HydrophobicContact CB-CZ 4.07Å; K624-F626 WeakPolarHBondContact O-CE2 3.19Å; F626-N631 HydrophobicContact CB-CB 4.4Å; F626-N631 HydrophobicContact CD1-CB 4.22Å; F626-I632 HydrophobicContact CB-CD1 3.92Å; F626-I632 HydrophobicContact CB-CG1 3.46Å; F626-I632 VanDerWaalsContact CB-CG1 3.46Å; F626-I632 HydrophobicContact CD2-CG1 3.8Å; F626-I632 HydrophobicContact CG-CG1 3.84Å; F626-H635 HydrophobicContact CE1-CB 4.37Å; F626-H635 HydrophobicContact CE2-CB 4.01Å; F626-H635 AromaticContact CE2-CD2 3.83Å; F626-H635 AromaticContact CE2-CG 3.6Å; F626-H635 AromaticContact CE2-ND1 3.74Å; F626-H635 HydrophobicContact CZ-CB 3.87Å; F626-H635 AromaticContact CZ-CD2 3.21Å; F626-H635 WeakPolarHBondContact CZ-CD2 3.44Å; F626-H635 AromaticContact CZ-CG 3.41Å; F626-H635 VanDerWaalsContact CZ-CG 3.41Å; F626-H635 AromaticContact CZ-ND1 3.95Å; F626-H635 AromaticContact CZ-NE2 3.65Å
627	N	41.9	Very low	47.3	Very low	92 Å²	92	78.4 Å²	78.4	49%	0.492	40%	0.402	S	S	.	.	S	Bend	trans	-89.2	-3.6	-175.4	58.4	6.3	0	0	0	114.8
628	L	48.7	Very low	47.7	Very low	90 Å²	90	81.1 Å²	81.1	47%	0.471	42%	0.419	S	S	.	.	S	Bend	trans	-143.8	131.4	-179.1	-174.3	66.3	0	0	0	111.1	S630 N631	L628-S630 VanDerWaalsContact C-N 3.29Å; L628-S630 WeakPolarHBondContact CD2-OG 3.47Å; L628-S630 WeakPolarHBondContact CG-OG 3.07Å; L628-S630 PolarHBondContact O-N 3.13Å; L628-N631 VanDerWaalsContact O-CB 3.31Å; L628-N631 WeakPolarHBondContact O-CB 3.34Å; L628-N631 PolarHBondContact O-N 2.97Å
629	F	40	Very low	48.3	Very low	107 Å²	107	79.6 Å²	79.6	47%	0.469	41%	0.409	S	S	.	.	H	α-helix	trans	-54.5	-39.4	-179	-175.4	-96.5	0	0	0	113.5	Y617 N631 I632 T633	Y617-F629 HydrophobicContact CD1-CD2 4.32Å; Y617-F629 HydrophobicContact CE1-CD2 4.03Å; Y617-F629 HydrophobicContact CE2-CB 4.29Å; F629-N631 PolarHBondContact O-N 3Å; F629-I632 WeakPolarHBondContact O-CB 3.35Å; F629-I632 PolarHBondContact O-N 3.49Å; F629-T633 WeakPolarHBondContact CE1-OG1 3.45Å; F629-T633 PolarHBondContact O-N 3.32Å; F629-T633 PolarHBondContact O-OG1 3.25Å; F629-T633 VanDerWaalsContact O-OG1 3.08Å
630	S	44.7	Very low	48.9	Very low	55 Å²	55	80.2 Å²	80.2	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-27.4	176.7	60	0	0	0	0	113.4	L628 I632 N634	L628-S630 VanDerWaalsContact C-N 3.29Å; L628-S630 WeakPolarHBondContact CD2-OG 3.47Å; L628-S630 WeakPolarHBondContact CG-OG 3.07Å; L628-S630 PolarHBondContact O-N 3.13Å; S630-I632 VanDerWaalsContact C-N 3.27Å; S630-N634 WeakPolarHBondContact O-CB 2.96Å; S630-N634 PolarHBondContact O-N 2.98Å; S630-N634 VanDerWaalsContact O-N 3.09Å; S630-N634 PolarHBondContact O-ND2 2.87Å
631	N	49.6	Very low	49.6	Very low	63 Å²	63	73.2 Å²	73.2	34%	0.337	40%	0.398	S	S	.	.	H	α-helix	trans	-73.3	-26.5	177	-63.8	-13.6	0	0	0	110.9	F626 L628 F629 H635	F626-N631 HydrophobicContact CB-CB 4.4Å; F626-N631 HydrophobicContact CD1-CB 4.22Å; L628-N631 VanDerWaalsContact O-CB 3.31Å; L628-N631 WeakPolarHBondContact O-CB 3.34Å; L628-N631 PolarHBondContact O-N 2.97Å; F629-N631 PolarHBondContact O-N 3Å; N631-H635 VanDerWaalsContact O-CB 3.23Å; N631-H635 WeakPolarHBondContact O-CB 3.47Å; N631-H635 PolarHBondContact O-N 3.29Å
632	I	51.5	Low	50.6	Low	22 Å²	22	72.3 Å²	72.3	11%	0.113	39%	0.394	C	S	.	.	H	α-helix	trans	-83.9	-42.6	179.3	-60.8	169.6	0	0	0	110.8	Y617 F626 F629 S630 N634 H635 K636	Y617-I632 HydrophobicContact CD1-CD1 4.22Å; Y617-I632 HydrophobicContact CD2-CD1 3.71Å; Y617-I632 HydrophobicContact CG-CD1 3.36Å; F626-I632 HydrophobicContact CB-CD1 3.92Å; F626-I632 HydrophobicContact CB-CG1 3.46Å; F626-I632 VanDerWaalsContact CB-CG1 3.46Å; F626-I632 HydrophobicContact CD2-CG1 3.8Å; F626-I632 HydrophobicContact CG-CG1 3.84Å; F629-I632 WeakPolarHBondContact O-CB 3.35Å; F629-I632 PolarHBondContact O-N 3.49Å; S630-I632 VanDerWaalsContact C-N 3.27Å; I632-N634 PolarHBondContact O-N 3.39Å; I632-H635 PolarHBondContact O-N 3.01Å; I632-H635 VanDerWaalsContact O-N 3.13Å; I632-K636 VanDerWaalsContact O-CB 3.26Å; I632-K636 WeakPolarHBondContact O-CB 3.38Å; I632-K636 PolarHBondContact O-N 3.12Å
633	T	53.6	Low	51.8	Low	60 Å²	60	73.7 Å²	73.7	37%	0.368	40%	0.399	S	S	.	.	H	α-helix	trans	-56.5	-44.1	170.1	-39.7	0	0	0	0	109.6	F629 I637	F629-T633 WeakPolarHBondContact CE1-OG1 3.45Å; F629-T633 PolarHBondContact O-N 3.32Å; F629-T633 PolarHBondContact O-OG1 3.25Å; F629-T633 VanDerWaalsContact O-OG1 3.08Å; T633-I637 HydrophobicContact CG2-CD1 4.09Å; T633-I637 WeakPolarHBondContact O-CB 3.43Å; T633-I637 VanDerWaalsContact O-CD1 3.27Å; T633-I637 WeakPolarHBondContact O-CD1 3.37Å; T633-I637 WeakPolarHBondContact O-CG1 3.49Å; T633-I637 PolarHBondContact O-N 2.93Å
634	N	55.9	Low	52.8	Low	43 Å²	43	73.4 Å²	73.4	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-66.7	-38.9	174.7	-73.7	-40	0	0	0	113.4	S630 I632 I638	S630-N634 WeakPolarHBondContact O-CB 2.96Å; S630-N634 PolarHBondContact O-N 2.98Å; S630-N634 VanDerWaalsContact O-N 3.09Å; S630-N634 PolarHBondContact O-ND2 2.87Å; I632-N634 PolarHBondContact O-N 3.39Å; N634-I638 WeakPolarHBondContact O-CD1 3.45Å; N634-I638 WeakPolarHBondContact O-CG1 3.27Å; N634-I638 PolarHBondContact O-N 2.88Å
635	H	60.9	Low	54.1	Low	37 Å²	37	70.2 Å²	70.2	17%	0.171	37%	0.371	C	S	.	.	H	α-helix	trans	-67.7	-43.2	177.9	-177.8	-95.5	0	0	0	111.8	F626 N631 I632 I638 Y639	F626-H635 HydrophobicContact CE1-CB 4.37Å; F626-H635 HydrophobicContact CE2-CB 4.01Å; F626-H635 AromaticContact CE2-CD2 3.83Å; F626-H635 AromaticContact CE2-CG 3.6Å; F626-H635 AromaticContact CE2-ND1 3.74Å; F626-H635 HydrophobicContact CZ-CB 3.87Å; F626-H635 AromaticContact CZ-CD2 3.21Å; F626-H635 WeakPolarHBondContact CZ-CD2 3.44Å; F626-H635 AromaticContact CZ-CG 3.41Å; F626-H635 VanDerWaalsContact CZ-CG 3.41Å; F626-H635 AromaticContact CZ-ND1 3.95Å; F626-H635 AromaticContact CZ-NE2 3.65Å; N631-H635 VanDerWaalsContact O-CB 3.23Å; N631-H635 WeakPolarHBondContact O-CB 3.47Å; N631-H635 PolarHBondContact O-N 3.29Å; I632-H635 PolarHBondContact O-N 3.01Å; I632-H635 VanDerWaalsContact O-N 3.13Å; H635-I638 PolarHBondContact O-N 2.86Å; H635-I638 VanDerWaalsContact O-N 3.15Å; H635-Y639 PolarHBondContact O-N 3.41Å
636	K	55.6	Low	55.3	Low	108 Å²	108	75.5 Å²	75.5	47%	0.47	39%	0.387	S	S	.	.	H	α-helix	trans	-58.5	-47.6	173.9	-172.4	175.8	-179.6	175.5	0	110.6	F619 I632 I638 Y639 T640	F619-K636 HydrophobicContact CE2-CB 4.46Å; F619-K636 HydrophobicContact CE2-CD 4.11Å; F619-K636 HydrophobicContact CE2-CG 4.08Å; F619-K636 HydrophobicContact CZ-CG 4.34Å; I632-K636 VanDerWaalsContact O-CB 3.26Å; I632-K636 WeakPolarHBondContact O-CB 3.38Å; I632-K636 PolarHBondContact O-N 3.12Å; K636-I638 VanDerWaalsContact C-N 3.29Å; K636-I638 PolarHBondContact O-N 3Å; K636-Y639 PolarHBondContact O-N 3.33Å; K636-Y639 VanDerWaalsContact O-N 3.16Å; K636-T640 HydrophobicContact CG-CG2 4.29Å; K636-T640 WeakPolarHBondContact O-CG2 3.4Å; K636-T640 PolarHBondContact O-N 2.53Å; K636-T640 PolarHBondContact O-OG1 3.31Å
637	I	57.8	Low	56.5	Low	19 Å²	19	73.4 Å²	73.4	10%	0.097	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-33.9	176.1	-68.6	166.2	0	0	0	112.2	T633 G641 E642 P644 N655	T633-I637 HydrophobicContact CG2-CD1 4.09Å; T633-I637 WeakPolarHBondContact O-CB 3.43Å; T633-I637 VanDerWaalsContact O-CD1 3.27Å; T633-I637 WeakPolarHBondContact O-CD1 3.37Å; T633-I637 WeakPolarHBondContact O-CG1 3.49Å; T633-I637 PolarHBondContact O-N 2.93Å; I637-G641 PolarHBondContact O-N 3.12Å; I637-E642 HydrophobicContact CG2-CB 4.5Å; I637-E642 WeakPolarHBondContact CG2-O 3.48Å; I637-E642 PolarHBondContact O-N 3.29Å; I637-P644 HydrophobicContact CD1-CG 4.03Å; I637-P644 HydrophobicContact CG1-CG 4.25Å; I637-P644 HydrophobicContact CG2-CG 4.33Å; I637-N655 HydrophobicContact CG2-CB 3.69Å
638	I	58	Low	57.9	Low	99 Å²	99	77.7 Å²	77.7	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-37.9	176	-70.5	162.9	0	0	0	111.1	N634 H635 K636	N634-I638 WeakPolarHBondContact O-CD1 3.45Å; N634-I638 WeakPolarHBondContact O-CG1 3.27Å; N634-I638 PolarHBondContact O-N 2.88Å; H635-I638 PolarHBondContact O-N 2.86Å; H635-I638 VanDerWaalsContact O-N 3.15Å; K636-I638 VanDerWaalsContact C-N 3.29Å; K636-I638 PolarHBondContact O-N 3Å
639	Y	54.8	Low	58.8	Low	117 Å²	117	79.2 Å²	79.2	46%	0.459	40%	0.399	S	S	.	.	H	α-helix	trans	-75.9	-44.3	-179.3	-176.7	-103.7	0	0	0	112.7	F619 E621 H622 H635 K636 G641	F619-Y639 HydrophobicContact CE1-CD1 4.39Å; E621-Y639 WeakPolarHBondContact OE2-CE1 3.29Å; E621-Y639 PolarHBondContact OE2-OH 3.41Å; H622-Y639 AromaticContact CD2-CE2 3.58Å; H622-Y639 AromaticContact CD2-CZ 3.67Å; H622-Y639 AromaticContact NE2-CE2 3.37Å; H622-Y639 WeakPolarHBondContact NE2-CE2 3.43Å; H622-Y639 AromaticContact NE2-CZ 3.4Å; H622-Y639 PolarHBondContact NE2-OH 2.96Å; H635-Y639 PolarHBondContact O-N 3.41Å; K636-Y639 PolarHBondContact O-N 3.33Å; K636-Y639 VanDerWaalsContact O-N 3.16Å; Y639-G641 PolarHBondContact O-N 2.71Å
640	T	52.9	Low	60.2	Low	62 Å²	62	76.5 Å²	76.5	38%	0.38	39%	0.393	S	S	.	.	S	Bend	trans	-75	-7.6	177.3	60.1	0	0	0	0	113	K636 E642	K636-T640 HydrophobicContact CG-CG2 4.29Å; K636-T640 WeakPolarHBondContact O-CG2 3.4Å; K636-T640 PolarHBondContact O-N 2.53Å; K636-T640 PolarHBondContact O-OG1 3.31Å; T640-E642 PolarHBondContact O-N 3.15Å; T640-E642 VanDerWaalsContact O-N 3.08Å; T640-E642 WeakPolarHBondContact OG1-CG 3.42Å
641	G	55.5	Low	61.3	Low	52 Å²	52	76.6 Å²	76.6	54%	0.536	40%	0.403	S	S	.	.			trans	66.2	6.4	-175.8	0	0	0	0	0	113.9	I637 Y639	I637-G641 PolarHBondContact O-N 3.12Å; Y639-G641 PolarHBondContact O-N 2.71Å
642	E	59.7	Low	62.1	Low	109 Å²	109	79.5 Å²	79.5	51%	0.509	41%	0.412	S	S	.	.			trans	-60.4	141.5	-177.9	-77.5	178	-173	0	0	110.9	I637 T640 P644	I637-E642 HydrophobicContact CG2-CB 4.5Å; I637-E642 WeakPolarHBondContact CG2-O 3.48Å; I637-E642 PolarHBondContact O-N 3.29Å; T640-E642 PolarHBondContact O-N 3.15Å; T640-E642 VanDerWaalsContact O-N 3.08Å; T640-E642 WeakPolarHBondContact OG1-CG 3.42Å; E642-P644 HydrophobicContact CB-CG 4.48Å; E642-P644 WeakPolarHBondContact O-CD 3.46Å
643	K	69.3	Low	62.9	Low	128 Å²	128	79.9 Å²	79.9	56%	0.557	42%	0.419	S	S	*	.			trans	-124.6	76.6	176.4	-70.6	169.3	177.7	177.2	0	108.6	H645 A653 Y654	K643-H645 PolarHBondContact O-N 2.97Å; K643-H645 VanDerWaalsContact O-N 3.11Å; K643-A653 HydrophobicContact CB-CB 3.4Å; K643-A653 HydrophobicContact CD-CB 4.06Å; K643-A653 WeakPolarHBondContact CD-O 3.18Å; K643-A653 HydrophobicContact CG-CB 4.33Å; K643-Y654 CarbonylContact C-O 3.56Å; K643-Y654 WeakPolarHBondContact CA-O 3.42Å
644	P	65.1	Low	64	Low	68 Å²	68	79.4 Å²	79.4	44%	0.442	41%	0.411	S	S	.	.			trans	-67.2	-17.4	-168.5	-19.5	32.6	0	0	0	113.7	I637 E642	I637-P644 HydrophobicContact CD1-CG 4.03Å; I637-P644 HydrophobicContact CG1-CG 4.25Å; I637-P644 HydrophobicContact CG2-CG 4.33Å; E642-P644 HydrophobicContact CB-CG 4.48Å; E642-P644 WeakPolarHBondContact O-CD 3.46Å
645	H	71.1	Confident	64.2	Low	59 Å²	59	80 Å²	80	27%	0.273	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	94.6	-173.7	-57.5	-62	0	0	0	110.5	K643 A653 Y654 F657 L660	K643-H645 PolarHBondContact O-N 2.97Å; K643-H645 VanDerWaalsContact O-N 3.11Å; H645-A653 CarbonylContact O-C 3.52Å; H645-A653 WeakPolarHBondContact O-CA 3.34Å; H645-Y654 WeakPolarHBondContact CB-O 3.36Å; H645-Y654 PolarHBondContact N-O 3.49Å; H645-Y654 VanDerWaalsContact N-O 3.08Å; H645-Y654 PolarHBondContact O-N 2.93Å; H645-F657 PolarHBondContact CD2-N 3.47Å; H645-F657 AromaticContact ND1-CD2 3.99Å; H645-F657 PolarHBondContact NE2-N 2.96Å; H645-L660 HydrophobicContact CB-CB 4.07Å; H645-L660 HydrophobicContact CB-CD2 3.84Å
646	K	65.9	Low	64.6	Low	150 Å²	150	83.3 Å²	83.3	65%	0.652	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.3	178.6	-61.4	-175.6	-178.2	-179.1	0	111.6	A653	K646-A653 HydrophobicContact CG-CB 3.93Å
647	C	73.3	Confident	65.1	Low	2 Å²	2	83.4 Å²	83.4	1%	0.014	43%	0.425	C	S	.	.			trans	-85.1	123.3	168.7	179.8	0	0	0	0	108.8	E649 G651 K652 L660 H667	C647-E649 VanDerWaalsContact C-N 3.33Å; C647-G651 WeakPolarHBondContact O-CA 3.38Å; C647-G651 PolarHBondContact O-N 2.86Å; C647-K652 WeakPolarHBondContact CB-O 3.37Å; C647-K652 PolarHBondContact N-O 3.18Å; C647-L660 HydrophobicContact CB-CD1 3.73Å; C647-H667 PolarHBondContact SG-NE2 3.13Å
648	E	72.1	Confident	65.7	Low	181 Å²	181	85.5 Å²	85.5	85%	0.846	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.9	-180	-69.3	164.2	170.6	0	0	112.2
649	E	68.5	Low	66.5	Low	122 Å²	122	83.6 Å²	83.6	57%	0.57	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.8	-176.8	-69.3	166.2	-164.7	0	0	114	C647 H667	C647-E649 VanDerWaalsContact C-N 3.33Å; E649-H667 WeakPolarHBondContact OE2-CB 3.35Å; E649-H667 IonicContact OE2-CD2 3.13Å; E649-H667 PolarHBondContact OE2-CD2 3.32Å; E649-H667 IonicContact OE2-CG 3.07Å; E649-H667 IonicContact OE2-NE2 3.15Å
650	C	69.1	Low	67.4	Low	50 Å²	50	78.6 Å²	78.6	34%	0.338	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	12.4	-177.9	81.5	0	0	0	0	114.5	K652 H663 H667	C650-K652 PolarHBondContact O-N 3.1Å; C650-K652 VanDerWaalsContact SG-CG 3.6Å; C650-H663 VanDerWaalsContact SG-CE1 3.57Å; C650-H663 PolarHBondContact SG-NE2 3.33Å; C650-H667 VanDerWaalsContact SG-CE1 3.56Å; C650-H667 PolarHBondContact SG-NE2 3.15Å; C650-H667 VanDerWaalsContact SG-NE2 3.42Å
651	G	66.9	Low	68.3	Low	57 Å²	57	78.2 Å²	78.2	59%	0.588	41%	0.411	S	S	*	.			trans	67.8	-5.1	178	0	0	0	0	0	116.3	C647 A653	C647-G651 WeakPolarHBondContact O-CA 3.38Å; C647-G651 PolarHBondContact O-N 2.86Å; G651-A653 PolarHBondContact O-N 3.49Å
652	K	67	Low	69.1	Low	124 Å²	124	78.1 Å²	78.1	54%	0.539	40%	0.398	S	S	.	.			trans	-68.8	131.2	-174.3	-74	179.1	-176.7	170.8	0	111.5	C647 C650 Y654	C647-K652 WeakPolarHBondContact CB-O 3.37Å; C647-K652 PolarHBondContact N-O 3.18Å; C650-K652 PolarHBondContact O-N 3.1Å; C650-K652 VanDerWaalsContact SG-CG 3.6Å; K652-Y654 HydrophobicContact CB-CE2 3.83Å; K652-Y654 WeakPolarHBondContact O-CE2 3.09Å
653	A	68.1	Low	69.8	Low	30 Å²	30	73.3 Å²	73.3	25%	0.248	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.6	-175.6	0	0	0	0	0	112.2	K643 H645 K646 G651	K643-A653 HydrophobicContact CB-CB 3.4Å; K643-A653 HydrophobicContact CD-CB 4.06Å; K643-A653 WeakPolarHBondContact CD-O 3.18Å; K643-A653 HydrophobicContact CG-CB 4.33Å; H645-A653 CarbonylContact O-C 3.52Å; H645-A653 WeakPolarHBondContact O-CA 3.34Å; K646-A653 HydrophobicContact CG-CB 3.93Å; G651-A653 PolarHBondContact O-N 3.49Å
654	Y	76.8	Confident	69.9	Low	51 Å²	51	71.1 Å²	71.1	20%	0.2	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.9	-175.7	-62.2	-87.1	0	0	0	111.8	K643 H645 K652 R656 N659 L660 H663	K643-Y654 CarbonylContact C-O 3.56Å; K643-Y654 WeakPolarHBondContact CA-O 3.42Å; H645-Y654 WeakPolarHBondContact CB-O 3.36Å; H645-Y654 PolarHBondContact N-O 3.49Å; H645-Y654 VanDerWaalsContact N-O 3.08Å; H645-Y654 PolarHBondContact O-N 2.93Å; K652-Y654 HydrophobicContact CB-CE2 3.83Å; K652-Y654 WeakPolarHBondContact O-CE2 3.09Å; Y654-R656 VanDerWaalsContact C-N 3.35Å; Y654-N659 HydrophobicContact CD1-CB 3.86Å; Y654-N659 HydrophobicContact CG-CB 4.28Å; Y654-L660 HydrophobicContact CD2-CB 4.04Å; Y654-L660 HydrophobicContact CD2-CD1 3.83Å; Y654-L660 HydrophobicContact CE2-CD1 4.17Å; Y654-L660 HydrophobicContact CG-CB 4.33Å; Y654-H663 HydrophobicContact CE1-CB 4.04Å; Y654-H663 HydrophobicContact CE2-CB 3.76Å; Y654-H663 AromaticContact CE2-CD2 3.29Å; Y654-H663 WeakPolarHBondContact CE2-CD2 3.21Å; Y654-H663 AromaticContact CE2-CG 3.49Å; Y654-H663 VanDerWaalsContact CE2-CG 3.49Å; Y654-H663 AromaticContact CE2-NE2 3.95Å; Y654-H663 VanDerWaalsContact CZ-CB 3.5Å; Y654-H663 AromaticContact CZ-CD2 3.6Å; Y654-H663 AromaticContact CZ-CG 3.31Å; Y654-H663 AromaticContact CZ-ND1 3.77Å; Y654-H663 PolarHBondContact OH-CD2 2.93Å; Y654-H663 PolarHBondContact OH-CE1 3.06Å; Y654-H663 VanDerWaalsContact OH-CE1 3.28Å; Y654-H663 PolarHBondContact OH-ND1 3.39Å
655	N	60.2	Low	70.5	Confident	55 Å²	55	70.1 Å²	70.1	29%	0.294	35%	0.353	S	S	.	.	S	Bend	trans	-76.2	-19.3	177	59.6	7	0	0	0	113.8	I637 N659	I637-N655 HydrophobicContact CG2-CB 3.69Å; N655-N659 PolarHBondContact OD1-ND2 2.98Å
656	R	69.3	Low	70.5	Confident	106 Å²	106	72.3 Å²	72.3	40%	0.4	37%	0.366	S	S	.	.	S	Bend	trans	-132.9	141.3	178.9	-64.3	-177.1	-179.5	178.7	1.6	111	Y654 S658 N659 L660	Y654-R656 VanDerWaalsContact C-N 3.35Å; R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 2.87Å; R656-N659 HydrophobicContact CB-CB 4.41Å; R656-N659 WeakPolarHBondContact O-CB 3.15Å; R656-N659 PolarHBondContact O-N 2.83Å; R656-L660 PolarHBondContact O-N 3.48Å
657	F	66.4	Low	70.6	Confident	110 Å²	110	68.7 Å²	68.7	48%	0.482	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-34.8	176.7	-173.1	-98	0	0	0	113.2	H645 N659 L660 T661	H645-F657 PolarHBondContact CD2-N 3.47Å; H645-F657 AromaticContact ND1-CD2 3.99Å; H645-F657 PolarHBondContact NE2-N 2.96Å; F657-N659 PolarHBondContact O-N 3.13Å; F657-L660 PolarHBondContact O-N 3.39Å; F657-T661 WeakPolarHBondContact CE1-OG1 3.49Å; F657-T661 PolarHBondContact O-N 3.2Å; F657-T661 PolarHBondContact O-OG1 2.93Å
658	S	69.1	Low	70.3	Confident	63 Å²	63	72.4 Å²	72.4	44%	0.441	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-35	173.7	58.9	0	0	0	0	112.3	R656 T661 I662	R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 2.87Å; S658-T661 PolarHBondContact O-N 3.37Å; S658-I662 WeakPolarHBondContact O-CD1 3.44Å; S658-I662 VanDerWaalsContact O-CG1 3.28Å; S658-I662 WeakPolarHBondContact O-CG1 3.25Å; S658-I662 PolarHBondContact O-N 3.42Å
659	N	75.3	Confident	70.1	Confident	59 Å²	59	66.1 Å²	66.1	32%	0.316	36%	0.358	S	S	.	.	H	α-helix	trans	-72.7	-40.9	179.4	-63.3	-11.9	0	0	0	110.4	Y654 N655 R656 F657 T661 I662 H663	Y654-N659 HydrophobicContact CD1-CB 3.86Å; Y654-N659 HydrophobicContact CG-CB 4.28Å; N655-N659 PolarHBondContact OD1-ND2 2.98Å; R656-N659 HydrophobicContact CB-CB 4.41Å; R656-N659 WeakPolarHBondContact O-CB 3.15Å; R656-N659 PolarHBondContact O-N 2.83Å; F657-N659 PolarHBondContact O-N 3.13Å; N659-T661 VanDerWaalsContact C-N 3.34Å; N659-I662 PolarHBondContact O-N 3.48Å; N659-H663 VanDerWaalsContact O-CB 3.31Å; N659-H663 WeakPolarHBondContact O-CB 3.1Å; N659-H663 PolarHBondContact O-N 3.22Å
660	L	74	Confident	70	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-42.3	171.2	176.4	62.9	0	0	0	111.5	H645 C647 Y654 R656 F657 I662 H663 K664	H645-L660 HydrophobicContact CB-CB 4.07Å; H645-L660 HydrophobicContact CB-CD2 3.84Å; C647-L660 HydrophobicContact CB-CD1 3.73Å; Y654-L660 HydrophobicContact CD2-CB 4.04Å; Y654-L660 HydrophobicContact CD2-CD1 3.83Å; Y654-L660 HydrophobicContact CE2-CD1 4.17Å; Y654-L660 HydrophobicContact CG-CB 4.33Å; R656-L660 PolarHBondContact O-N 3.48Å; F657-L660 PolarHBondContact O-N 3.39Å; L660-I662 PolarHBondContact O-N 2.86Å; L660-H663 WeakPolarHBondContact O-CB 3.45Å; L660-H663 PolarHBondContact O-N 2.74Å; L660-H663 VanDerWaalsContact O-N 3.16Å; L660-K664 HydrophobicContact CD1-CG 4.32Å; L660-K664 WeakPolarHBondContact O-CG 3.21Å; L660-K664 PolarHBondContact O-N 3.48Å
661	T	71.4	Confident	70.4	Confident	54 Å²	54	69 Å²	69	33%	0.331	36%	0.364	S	S	.	.	H	α-helix	trans	-63.4	-41.2	179.3	-54.8	0	0	0	0	111.7	F657 S658 N659	F657-T661 WeakPolarHBondContact CE1-OG1 3.49Å; F657-T661 PolarHBondContact O-N 3.2Å; F657-T661 PolarHBondContact O-OG1 2.93Å; S658-T661 PolarHBondContact O-N 3.37Å; N659-T661 VanDerWaalsContact C-N 3.34Å
662	I	71.6	Confident	70.6	Confident	50 Å²	50	69.8 Å²	69.8	26%	0.256	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-38.2	174.4	-66.5	161.6	0	0	0	110.4	S658 N659 L660 R665 C684	S658-I662 WeakPolarHBondContact O-CD1 3.44Å; S658-I662 VanDerWaalsContact O-CG1 3.28Å; S658-I662 WeakPolarHBondContact O-CG1 3.25Å; S658-I662 PolarHBondContact O-N 3.42Å; N659-I662 PolarHBondContact O-N 3.48Å; L660-I662 PolarHBondContact O-N 2.86Å; I662-R665 WeakPolarHBondContact O-CB 3.48Å; I662-R665 PolarHBondContact O-N 3.06Å; I662-C684 HydrophobicContact CG2-CB 4.24Å
663	H	75	Confident	70.9	Confident	9 Å²	9	67.7 Å²	67.7	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-41.5	178.2	169.8	62.2	0	0	0	112.9	C650 Y654 N659 L660 R665 I666 H667	C650-H663 VanDerWaalsContact SG-CE1 3.57Å; C650-H663 PolarHBondContact SG-NE2 3.33Å; Y654-H663 HydrophobicContact CE1-CB 4.04Å; Y654-H663 HydrophobicContact CE2-CB 3.76Å; Y654-H663 AromaticContact CE2-CD2 3.29Å; Y654-H663 WeakPolarHBondContact CE2-CD2 3.21Å; Y654-H663 AromaticContact CE2-CG 3.49Å; Y654-H663 VanDerWaalsContact CE2-CG 3.49Å; Y654-H663 AromaticContact CE2-NE2 3.95Å; Y654-H663 VanDerWaalsContact CZ-CB 3.5Å; Y654-H663 AromaticContact CZ-CD2 3.6Å; Y654-H663 AromaticContact CZ-CG 3.31Å; Y654-H663 AromaticContact CZ-ND1 3.77Å; Y654-H663 PolarHBondContact OH-CD2 2.93Å; Y654-H663 PolarHBondContact OH-CE1 3.06Å; Y654-H663 VanDerWaalsContact OH-CE1 3.28Å; Y654-H663 PolarHBondContact OH-ND1 3.39Å; N659-H663 VanDerWaalsContact O-CB 3.31Å; N659-H663 WeakPolarHBondContact O-CB 3.1Å; N659-H663 PolarHBondContact O-N 3.22Å; L660-H663 WeakPolarHBondContact O-CB 3.45Å; L660-H663 PolarHBondContact O-N 2.74Å; L660-H663 VanDerWaalsContact O-N 3.16Å; H663-R665 PolarHBondContact O-N 3.47Å; H663-R665 VanDerWaalsContact O-N 3.09Å; H663-I666 VanDerWaalsContact O-CB 3.24Å; H663-I666 WeakPolarHBondContact O-CB 3.4Å; H663-I666 WeakPolarHBondContact O-CG1 3.47Å; H663-I666 PolarHBondContact O-N 3.05Å; H663-H667 AromaticContact CE1-CE1 3.99Å; H663-H667 AromaticContact CE1-NE2 3.6Å; H663-H667 AromaticContact NE2-NE2 3.24Å; H663-H667 PolarHBondContact NE2-NE2 3.3Å
664	K	71.4	Confident	70.6	Confident	81 Å²	81	73 Å²	73	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-56.4	-27.4	176.5	-74.3	-167.1	172.7	-154.3	0	112.9	L660 I666 H667 T668	L660-K664 HydrophobicContact CD1-CG 4.32Å; L660-K664 WeakPolarHBondContact O-CG 3.21Å; L660-K664 PolarHBondContact O-N 3.48Å; K664-I666 PolarHBondContact O-N 3.08Å; K664-H667 PolarHBondContact O-N 2.93Å; K664-H667 VanDerWaalsContact O-N 3.15Å; K664-T668 PolarHBondContact O-N 3.02Å; K664-T668 PolarHBondContact O-OG1 2.98Å
665	R	78.6	Confident	70.6	Confident	47 Å²	47	70.6 Å²	70.6	18%	0.177	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-13.3	174.4	-61.7	-177	-179.8	141.7	7.7	114.7	I662 H663 T668 G669 E670 N683	I662-R665 WeakPolarHBondContact O-CB 3.48Å; I662-R665 PolarHBondContact O-N 3.06Å; H663-R665 PolarHBondContact O-N 3.47Å; H663-R665 VanDerWaalsContact O-N 3.09Å; R665-T668 WeakPolarHBondContact CA-OG1 3.24Å; R665-G669 CarbonylContact O-C 3.54Å; R665-G669 WeakPolarHBondContact O-CA 3.22Å; R665-G669 PolarHBondContact O-N 3.46Å; R665-G669 VanDerWaalsContact O-N 3.11Å; R665-E670 HydrophobicContact CB-CB 4.23Å; R665-E670 HydrophobicContact CG-CB 4.15Å; R665-E670 PolarHBondContact O-N 3.27Å; R665-N683 HydrophobicContact CB-CB 4.36Å; R665-N683 PolarHBondContact NH1-O 3.49Å
666	I	71.4	Confident	71.2	Confident	106 Å²	106	72.8 Å²	72.8	54%	0.544	39%	0.385	S	S	.	.	H	α-helix	trans	-73.8	-38.9	173.5	-60.6	177.7	0	0	0	109.7	H663 K664	H663-I666 VanDerWaalsContact O-CB 3.24Å; H663-I666 WeakPolarHBondContact O-CB 3.4Å; H663-I666 WeakPolarHBondContact O-CG1 3.47Å; H663-I666 PolarHBondContact O-N 3.05Å; K664-I666 PolarHBondContact O-N 3.08Å
667	H	67.3	Low	71.3	Confident	74 Å²	74	73.5 Å²	73.5	34%	0.343	39%	0.392	S	S	.	.	H	α-helix	trans	-76.2	-40.3	179.2	-54.8	-49.2	0	0	0	111.7	C647 E649 C650 H663 K664 G669	C647-H667 PolarHBondContact SG-NE2 3.13Å; E649-H667 WeakPolarHBondContact OE2-CB 3.35Å; E649-H667 IonicContact OE2-CD2 3.13Å; E649-H667 PolarHBondContact OE2-CD2 3.32Å; E649-H667 IonicContact OE2-CG 3.07Å; E649-H667 IonicContact OE2-NE2 3.15Å; C650-H667 VanDerWaalsContact SG-CE1 3.56Å; C650-H667 PolarHBondContact SG-NE2 3.15Å; C650-H667 VanDerWaalsContact SG-NE2 3.42Å; H663-H667 AromaticContact CE1-CE1 3.99Å; H663-H667 AromaticContact CE1-NE2 3.6Å; H663-H667 AromaticContact NE2-NE2 3.24Å; H663-H667 PolarHBondContact NE2-NE2 3.3Å; K664-H667 PolarHBondContact O-N 2.93Å; K664-H667 VanDerWaalsContact O-N 3.15Å; H667-G669 VanDerWaalsContact C-N 3.3Å; H667-G669 PolarHBondContact O-N 3.49Å
668	T	67.5	Low	71.7	Confident	80 Å²	80	70.8 Å²	70.8	49%	0.491	39%	0.386	S	S	.	.	S	Bend	trans	-81.4	-8.2	177.8	65.7	0	0	0	0	114	K664 R665 E670	K664-T668 PolarHBondContact O-N 3.02Å; K664-T668 PolarHBondContact O-OG1 2.98Å; R665-T668 WeakPolarHBondContact CA-OG1 3.24Å; T668-E670 PolarHBondContact O-N 2.86Å; T668-E670 VanDerWaalsContact O-N 3.12Å; T668-E670 WeakPolarHBondContact OG1-CG 3.26Å
669	G	66.5	Low	71.6	Confident	48 Å²	48	70.4 Å²	70.4	50%	0.495	39%	0.392	S	S	.	.			trans	68	3.3	-176.1	0	0	0	0	0	115.3	R665 H667 K671	R665-G669 CarbonylContact O-C 3.54Å; R665-G669 WeakPolarHBondContact O-CA 3.22Å; R665-G669 PolarHBondContact O-N 3.46Å; R665-G669 VanDerWaalsContact O-N 3.11Å; H667-G669 VanDerWaalsContact C-N 3.3Å; H667-G669 PolarHBondContact O-N 3.49Å; G669-K671 PolarHBondContact O-N 2.84Å
670	E	67.3	Low	71.4	Confident	108 Å²	108	73.8 Å²	73.8	51%	0.505	40%	0.404	S	S	.	.			trans	-62.1	123.5	-176.9	-76.1	-177	-176.1	0	0	112.4	R665 T668 P672	R665-E670 HydrophobicContact CB-CB 4.23Å; R665-E670 HydrophobicContact CG-CB 4.15Å; R665-E670 PolarHBondContact O-N 3.27Å; T668-E670 PolarHBondContact O-N 2.86Å; T668-E670 VanDerWaalsContact O-N 3.12Å; T668-E670 WeakPolarHBondContact OG1-CG 3.26Å; E670-P672 WeakPolarHBondContact O-CD 3.44Å
671	K	76.6	Confident	71.3	Confident	126 Å²	126	74.8 Å²	74.8	55%	0.548	41%	0.414	S	S	.	.			trans	-122.4	74.6	175.3	-68.2	171.3	-178.3	175.2	0	111.3	G669 Y673 A681 F682	G669-K671 PolarHBondContact O-N 2.84Å; K671-Y673 PolarHBondContact O-N 3.02Å; K671-Y673 VanDerWaalsContact O-N 3.13Å; K671-A681 HydrophobicContact CB-CB 3.59Å; K671-A681 HydrophobicContact CD-CB 4.11Å; K671-A681 HydrophobicContact CG-CB 4.46Å; K671-F682 CarbonylContact C-O 3.23Å; K671-F682 WeakPolarHBondContact CA-O 3.47Å
672	P	71.9	Confident	71.7	Confident	73 Å²	73	74.2 Å²	74.2	47%	0.474	41%	0.407	S	S	.	.			trans	-70	-11.4	-170.1	-19.6	33.5	0	0	0	115.1	E670	E670-P672 WeakPolarHBondContact O-CD 3.44Å
673	Y	73.1	Confident	71.8	Confident	80 Å²	80	74.3 Å²	74.3	31%	0.314	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	98.6	-172.5	-59.5	-81.8	0	0	0	110.1	K671 A681 F682	K671-Y673 PolarHBondContact O-N 3.02Å; K671-Y673 VanDerWaalsContact O-N 3.13Å; Y673-A681 CarbonylContact O-C 3.27Å; Y673-F682 WeakPolarHBondContact CB-O 3.37Å; Y673-F682 PolarHBondContact N-O 3.2Å; Y673-F682 PolarHBondContact O-N 3.24Å
674	Q	62.7	Low	71.7	Confident	140 Å²	140	74.6 Å²	74.6	65%	0.654	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	140.1	179.7	-71.1	176.2	-19.5	0	0	112	A681	Q674-A681 HydrophobicContact CG-CB 3.74Å
675	C	76.1	Confident	71.7	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.014	41%	0.412	C	S	.	.			trans	-78.3	120.7	170	-177.7	0	0	0	0	109.4	E677 C678 G679 K680 F682 L688 H695	C675-E677 PolarHBondContact O-N 3.38Å; C675-C678 VanDerWaalsContact SG-SG 3.66Å; C675-G679 VanDerWaalsContact O-CA 3.24Å; C675-G679 WeakPolarHBondContact O-CA 3.46Å; C675-G679 PolarHBondContact O-N 2.65Å; C675-K680 WeakPolarHBondContact CB-O 3.38Å; C675-K680 PolarHBondContact N-O 3.14Å; C675-F682 HydrophobicContact CB-CE2 4.3Å; C675-L688 HydrophobicContact CB-CD1 3.66Å; C675-H695 PolarHBondContact SG-NE2 3.16Å; C675-H695 VanDerWaalsContact SG-NE2 3.42Å
676	A	73.1	Confident	71.4	Confident	101 Å²	101	74.5 Å²	74.5	84%	0.835	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25	178	0	0	0	0	0	113.1
677	E	71.7	Confident	71.5	Confident	121 Å²	121	70.9 Å²	70.9	57%	0.565	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-28.6	-174.8	-71.1	158.9	-152.2	0	0	113.6	C675 H695	C675-E677 PolarHBondContact O-N 3.38Å; E677-H695 WeakPolarHBondContact OE2-CB 3.46Å; E677-H695 IonicContact OE2-CD2 3.29Å; E677-H695 PolarHBondContact OE2-CD2 3.12Å; E677-H695 IonicContact OE2-CG 3.84Å
678	C	73.2	Confident	71.9	Confident	53 Å²	53	68.1 Å²	68.1	36%	0.358	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	8.1	-178.1	72.7	0	0	0	0	114.6	C675 K680 H691 H695	C675-C678 VanDerWaalsContact SG-SG 3.66Å; C678-K680 PolarHBondContact O-N 3.3Å; C678-H691 PolarHBondContact SG-NE2 3.48Å; C678-H695 VanDerWaalsContact SG-CE1 3.58Å; C678-H695 PolarHBondContact SG-NE2 3Å
679	G	68.8	Low	72	Confident	54 Å²	54	69 Å²	69	56%	0.557	40%	0.4	S	S	*	.			trans	69.5	-8.3	178.8	0	0	0	0	0	115.9	C675 A681	C675-G679 VanDerWaalsContact O-CA 3.24Å; C675-G679 WeakPolarHBondContact O-CA 3.46Å; C675-G679 PolarHBondContact O-N 2.65Å; G679-A681 PolarHBondContact O-N 2.99Å
680	K	70.1	Confident	72.1	Confident	131 Å²	131	73 Å²	73	57%	0.57	40%	0.4	S	S	*	.			trans	-62.8	130.2	-177.5	-71.3	-177.4	-179.6	177.8	0	111.7	C675 C678 F682	C675-K680 WeakPolarHBondContact CB-O 3.38Å; C675-K680 PolarHBondContact N-O 3.14Å; C678-K680 PolarHBondContact O-N 3.3Å; K680-F682 HydrophobicContact CB-CE2 3.84Å; K680-F682 HydrophobicContact CB-CZ 3.94Å; K680-F682 WeakPolarHBondContact O-CD2 3.27Å; K680-F682 VanDerWaalsContact O-CE2 3.25Å; K680-F682 WeakPolarHBondContact O-CE2 3.25Å
681	A	72.4	Confident	72.5	Confident	33 Å²	33	68.8 Å²	68.8	27%	0.273	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.3	-178	0	0	0	0	0	112.2	K671 Y673 Q674 G679	K671-A681 HydrophobicContact CB-CB 3.59Å; K671-A681 HydrophobicContact CD-CB 4.11Å; K671-A681 HydrophobicContact CG-CB 4.46Å; Y673-A681 CarbonylContact O-C 3.27Å; Q674-A681 HydrophobicContact CG-CB 3.74Å; G679-A681 PolarHBondContact O-N 2.99Å
682	F	79.5	Confident	72.2	Confident	42 Å²	42	66.6 Å²	66.6	18%	0.184	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.6	-176.7	-58.7	-87.9	0	0	0	111.3	K671 Y673 C675 K680 C684 L688 H691	K671-F682 CarbonylContact C-O 3.23Å; K671-F682 WeakPolarHBondContact CA-O 3.47Å; Y673-F682 WeakPolarHBondContact CB-O 3.37Å; Y673-F682 PolarHBondContact N-O 3.2Å; Y673-F682 PolarHBondContact O-N 3.24Å; C675-F682 HydrophobicContact CB-CE2 4.3Å; K680-F682 HydrophobicContact CB-CE2 3.84Å; K680-F682 HydrophobicContact CB-CZ 3.94Å; K680-F682 WeakPolarHBondContact O-CD2 3.27Å; K680-F682 VanDerWaalsContact O-CE2 3.25Å; K680-F682 WeakPolarHBondContact O-CE2 3.25Å; F682-C684 VanDerWaalsContact C-N 3.35Å; F682-L688 HydrophobicContact CB-CB 4.31Å; F682-L688 HydrophobicContact CD2-CB 4.01Å; F682-L688 HydrophobicContact CD2-CD1 3.73Å; F682-L688 HydrophobicContact CD2-CG 4.47Å; F682-L688 HydrophobicContact CE2-CD1 3.95Å; F682-L688 HydrophobicContact CG-CB 4.32Å; F682-H691 HydrophobicContact CE1-CB 3.97Å; F682-H691 HydrophobicContact CE2-CB 3.93Å; F682-H691 AromaticContact CE2-CD2 3.37Å; F682-H691 WeakPolarHBondContact CE2-CD2 3.46Å; F682-H691 AromaticContact CE2-CG 3.6Å; F682-H691 AromaticContact CE2-NE2 3.98Å; F682-H691 HydrophobicContact CZ-CB 3.49Å; F682-H691 VanDerWaalsContact CZ-CB 3.49Å; F682-H691 AromaticContact CZ-CD2 3.44Å; F682-H691 VanDerWaalsContact CZ-CD2 3.44Å; F682-H691 WeakPolarHBondContact CZ-CD2 3.37Å; F682-H691 AromaticContact CZ-CG 3.18Å; F682-H691 AromaticContact CZ-ND1 3.59Å; F682-H691 AromaticContact CZ-NE2 3.93Å
683	N	72.6	Confident	72.3	Confident	51 Å²	51	65 Å²	65	27%	0.273	36%	0.358	S	S	.	.	S	Bend	trans	-80.3	-12.5	179.2	61.4	10.5	0	0	0	114	R665	R665-N683 HydrophobicContact CB-CB 4.36Å; R665-N683 PolarHBondContact NH1-O 3.49Å
684	C	72.9	Confident	72	Confident	15 Å²	15	66.7 Å²	66.7	10%	0.101	37%	0.371	C	S	.	.	S	Bend	trans	-141.8	151.5	-177.4	-170.2	0	0	0	0	112	I662 F682 S686 T687 L688	I662-C684 HydrophobicContact CG2-CB 4.24Å; F682-C684 VanDerWaalsContact C-N 3.35Å; C684-S686 PolarHBondContact SG-OG 3.15Å; C684-T687 HydrophobicContact CB-CG2 4.37Å; C684-T687 PolarHBondContact O-OG1 3.49Å; C684-L688 PolarHBondContact O-N 2.95Å
685	S	72.1	Confident	72.2	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	36%	0.357	S	S	.	.	H	α-helix	trans	-71.2	-32.7	177.6	58.8	0	0	0	0	113	T687 L688 N689	S685-T687 VanDerWaalsContact C-N 3.35Å; S685-L688 PolarHBondContact O-N 2.85Å; S685-N689 WeakPolarHBondContact O-CB 3.43Å; S685-N689 PolarHBondContact O-N 3.31Å
686	S	72.2	Confident	71.6	Confident	73 Å²	73	67.2 Å²	67.2	51%	0.51	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-35.5	177.9	58.9	0	0	0	0	112.1	C684 N689 R690	C684-S686 PolarHBondContact SG-OG 3.15Å; S686-N689 PolarHBondContact O-N 3.03Å; S686-R690 WeakPolarHBondContact O-CB 3.39Å; S686-R690 PolarHBondContact O-N 2.98Å
687	T	73.7	Confident	71.1	Confident	30 Å²	30	65 Å²	65	18%	0.184	37%	0.365	C	S	.	.	H	α-helix	trans	-71.4	-38.3	175.6	51.3	0	0	0	0	111.5	C684 S685 H691	C684-T687 HydrophobicContact CB-CG2 4.37Å; C684-T687 PolarHBondContact O-OG1 3.49Å; S685-T687 VanDerWaalsContact C-N 3.35Å; T687-H691 WeakPolarHBondContact O-CB 3.46Å; T687-H691 PolarHBondContact O-N 3.31Å
688	L	75.6	Confident	70.8	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-47.5	169.9	173.2	62.2	0	0	0	112	C675 F682 C684 S685 R690 H691 K692	C675-L688 HydrophobicContact CB-CD1 3.66Å; F682-L688 HydrophobicContact CB-CB 4.31Å; F682-L688 HydrophobicContact CD2-CB 4.01Å; F682-L688 HydrophobicContact CD2-CD1 3.73Å; F682-L688 HydrophobicContact CD2-CG 4.47Å; F682-L688 HydrophobicContact CE2-CD1 3.95Å; F682-L688 HydrophobicContact CG-CB 4.32Å; C684-L688 PolarHBondContact O-N 2.95Å; S685-L688 PolarHBondContact O-N 2.85Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 3.01Å; L688-H691 WeakPolarHBondContact O-CA 3.32Å; L688-H691 WeakPolarHBondContact O-CB 3.41Å; L688-H691 PolarHBondContact O-N 2.82Å; L688-H691 VanDerWaalsContact O-N 3.08Å; L688-K692 HydrophobicContact CD1-CG 4.38Å; L688-K692 WeakPolarHBondContact O-CG 3.29Å; L688-K692 PolarHBondContact O-N 2.93Å
689	N	70.8	Confident	70.7	Confident	98 Å²	98	68.7 Å²	68.7	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-40.5	179.3	-77.3	-7.2	0	0	0	111.9	S685 S686 H691 K692	S685-N689 WeakPolarHBondContact O-CB 3.43Å; S685-N689 PolarHBondContact O-N 3.31Å; S686-N689 PolarHBondContact O-N 3.03Å; N689-H691 VanDerWaalsContact C-N 3.32Å; N689-K692 PolarHBondContact O-N 3.45Å
690	R	68.4	Low	70.7	Confident	133 Å²	133	69.4 Å²	69.4	50%	0.502	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-40.6	172	174.8	171.1	65.8	-168.8	4.9	112.1	S686 L688 K692 I693 L712	S686-R690 WeakPolarHBondContact O-CB 3.39Å; S686-R690 PolarHBondContact O-N 2.98Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 3.01Å; R690-K692 VanDerWaalsContact C-N 3.33Å; R690-I693 WeakPolarHBondContact O-CB 3.47Å; R690-I693 PolarHBondContact O-N 3.03Å; R690-L712 HydrophobicContact CG-CD2 3.8Å
691	H	75.3	Confident	70.8	Confident	19 Å²	19	67.7 Å²	67.7	9%	0.088	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-36.9	177.6	168.3	71.8	0	0	0	112.1	C678 F682 T687 L688 N689 I693 I694 H695	C678-H691 PolarHBondContact SG-NE2 3.48Å; F682-H691 HydrophobicContact CE1-CB 3.97Å; F682-H691 HydrophobicContact CE2-CB 3.93Å; F682-H691 AromaticContact CE2-CD2 3.37Å; F682-H691 WeakPolarHBondContact CE2-CD2 3.46Å; F682-H691 AromaticContact CE2-CG 3.6Å; F682-H691 AromaticContact CE2-NE2 3.98Å; F682-H691 HydrophobicContact CZ-CB 3.49Å; F682-H691 VanDerWaalsContact CZ-CB 3.49Å; F682-H691 AromaticContact CZ-CD2 3.44Å; F682-H691 VanDerWaalsContact CZ-CD2 3.44Å; F682-H691 WeakPolarHBondContact CZ-CD2 3.37Å; F682-H691 AromaticContact CZ-CG 3.18Å; F682-H691 AromaticContact CZ-ND1 3.59Å; F682-H691 AromaticContact CZ-NE2 3.93Å; T687-H691 WeakPolarHBondContact O-CB 3.46Å; T687-H691 PolarHBondContact O-N 3.31Å; L688-H691 WeakPolarHBondContact O-CA 3.32Å; L688-H691 WeakPolarHBondContact O-CB 3.41Å; L688-H691 PolarHBondContact O-N 2.82Å; L688-H691 VanDerWaalsContact O-N 3.08Å; N689-H691 VanDerWaalsContact C-N 3.32Å; H691-I693 PolarHBondContact O-N 3.44Å; H691-I694 WeakPolarHBondContact O-CB 2.85Å; H691-I694 WeakPolarHBondContact O-CG1 3.34Å; H691-I694 PolarHBondContact O-N 2.87Å; H691-H695 AromaticContact CD2-NE2 3.85Å; H691-H695 AromaticContact CE1-NE2 3.54Å; H691-H695 AromaticContact NE2-CD2 3.91Å; H691-H695 AromaticContact NE2-CE1 3.88Å; H691-H695 AromaticContact NE2-NE2 3.03Å; H691-H695 PolarHBondContact NE2-NE2 2.79Å
692	K	70.8	Confident	70.7	Confident	81 Å²	81	73.3 Å²	73.3	35%	0.352	38%	0.379	S	S	.	.	H	α-helix	trans	-59.5	-30.3	175.7	-72.2	-176.8	174.1	-161.2	0	113.5	L688 N689 R690 I694 H695 T696	L688-K692 HydrophobicContact CD1-CG 4.38Å; L688-K692 WeakPolarHBondContact O-CG 3.29Å; L688-K692 PolarHBondContact O-N 2.93Å; N689-K692 PolarHBondContact O-N 3.45Å; R690-K692 VanDerWaalsContact C-N 3.33Å; K692-I694 PolarHBondContact O-N 3.47Å; K692-H695 PolarHBondContact O-N 3.12Å; K692-H695 VanDerWaalsContact O-N 3.12Å; K692-T696 PolarHBondContact O-N 2.99Å; K692-T696 PolarHBondContact O-OG1 2.98Å
693	I	72.3	Confident	70.5	Confident	39 Å²	39	71.5 Å²	71.5	20%	0.2	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-28.7	175.8	-60.6	173.9	0	0	0	111.2	R690 H691 T696 G697 E698 N711	R690-I693 WeakPolarHBondContact O-CB 3.47Å; R690-I693 PolarHBondContact O-N 3.03Å; H691-I693 PolarHBondContact O-N 3.44Å; I693-T696 WeakPolarHBondContact CA-OG1 3.48Å; I693-T696 PolarHBondContact O-N 2.94Å; I693-T696 PolarHBondContact O-OG1 3.38Å; I693-G697 PolarHBondContact O-N 3.34Å; I693-E698 WeakPolarHBondContact CG2-O 3.48Å; I693-N711 HydrophobicContact CG2-CB 4.16Å
694	I	68.1	Low	70.5	Confident	116 Å²	116	78.7 Å²	78.7	60%	0.595	40%	0.4	S	S	*	.	H	α-helix	trans	-66.4	-40.8	178.3	-56.9	173.9	0	0	0	111.3	H691 K692	H691-I694 WeakPolarHBondContact O-CB 2.85Å; H691-I694 WeakPolarHBondContact O-CG1 3.34Å; H691-I694 PolarHBondContact O-N 2.87Å; K692-I694 PolarHBondContact O-N 3.47Å
695	H	66.6	Low	70.6	Confident	78 Å²	78	83.8 Å²	83.8	36%	0.361	42%	0.422	S	S	.	.	H	α-helix	trans	-71.2	-37.7	178.9	-61.4	-52	0	0	0	111.9	C675 E677 C678 H691 K692 G697	C675-H695 PolarHBondContact SG-NE2 3.16Å; C675-H695 VanDerWaalsContact SG-NE2 3.42Å; E677-H695 WeakPolarHBondContact OE2-CB 3.46Å; E677-H695 IonicContact OE2-CD2 3.29Å; E677-H695 PolarHBondContact OE2-CD2 3.12Å; E677-H695 IonicContact OE2-CG 3.84Å; C678-H695 VanDerWaalsContact SG-CE1 3.58Å; C678-H695 PolarHBondContact SG-NE2 3Å; H691-H695 AromaticContact CD2-NE2 3.85Å; H691-H695 AromaticContact CE1-NE2 3.54Å; H691-H695 AromaticContact NE2-CD2 3.91Å; H691-H695 AromaticContact NE2-CE1 3.88Å; H691-H695 AromaticContact NE2-NE2 3.03Å; H691-H695 PolarHBondContact NE2-NE2 2.79Å; K692-H695 PolarHBondContact O-N 3.12Å; K692-H695 VanDerWaalsContact O-N 3.12Å; H695-G697 VanDerWaalsContact C-N 3.32Å; H695-G697 PolarHBondContact O-N 2.79Å
696	T	63.3	Low	70.7	Confident	75 Å²	75	83.7 Å²	83.7	46%	0.46	42%	0.421	S	S	.	.	H	α-helix	trans	-77.7	-16.2	179.2	57.9	0	0	0	0	113.7	K692 I693 E698	K692-T696 PolarHBondContact O-N 2.99Å; K692-T696 PolarHBondContact O-OG1 2.98Å; I693-T696 WeakPolarHBondContact CA-OG1 3.48Å; I693-T696 PolarHBondContact O-N 2.94Å; I693-T696 PolarHBondContact O-OG1 3.38Å; T696-E698 PolarHBondContact O-N 3.31Å
697	G	62.7	Low	70.6	Confident	53 Å²	53	82.9 Å²	82.9	55%	0.546	42%	0.424	S	S	.	.			trans	64.4	-0.6	-173.5	0	0	0	0	0	115.3	I693 H695	I693-G697 PolarHBondContact O-N 3.34Å; H695-G697 VanDerWaalsContact C-N 3.32Å; H695-G697 PolarHBondContact O-N 2.79Å
698	E	65.4	Low	70.4	Confident	125 Å²	125	87.8 Å²	87.8	58%	0.584	44%	0.443	S	S	*	.			trans	-60.6	137.5	-177.4	-70.8	-175.6	-178.6	0	0	111.3	I693 T696 P700	I693-E698 WeakPolarHBondContact CG2-O 3.48Å; T696-E698 PolarHBondContact O-N 3.31Å; E698-P700 WeakPolarHBondContact O-CD 3.47Å
699	K	71.6	Confident	70.3	Confident	127 Å²	127	88.6 Å²	88.6	55%	0.552	45%	0.452	S	S	*	.			trans	-119.5	79.7	174.3	-70.6	173.7	177	-180	0	108.7	Y701 A709 F710	K699-Y701 PolarHBondContact O-N 3.05Å; K699-Y701 VanDerWaalsContact O-N 3.15Å; K699-A709 HydrophobicContact CB-CB 3.57Å; K699-A709 HydrophobicContact CD-CB 4.17Å; K699-A709 WeakPolarHBondContact CD-O 3.44Å; K699-F710 CarbonylContact C-O 3.57Å; K699-F710 VanDerWaalsContact C-O 3.23Å; K699-F710 WeakPolarHBondContact CA-O 3.42Å
700	P	67.9	Low	70.6	Confident	70 Å²	70	86 Å²	86	46%	0.455	44%	0.436	S	S	.	.			trans	-67	-19.7	-167.8	-21.8	34.6	0	0	0	113.9	E698	E698-P700 WeakPolarHBondContact O-CD 3.47Å
701	Y	72.6	Confident	70.5	Confident	94 Å²	94	83.2 Å²	83.2	37%	0.369	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	94.1	-171.8	-57.5	-75.5	0	0	0	110.3	K699 A709 F710	K699-Y701 PolarHBondContact O-N 3.05Å; K699-Y701 VanDerWaalsContact O-N 3.15Å; Y701-A709 CarbonylContact O-C 3.37Å; Y701-A709 WeakPolarHBondContact O-CA 3.46Å; Y701-F710 PolarHBondContact N-O 3.39Å; Y701-F710 VanDerWaalsContact N-O 3.09Å; Y701-F710 PolarHBondContact O-N 3.24Å
702	K	69.8	Low	70.3	Confident	152 Å²	152	84.6 Å²	84.6	66%	0.661	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.9	178.5	-61.8	-174.5	-179.9	-177.8	0	111.9	A709	K702-A709 HydrophobicContact CG-CB 3.91Å
703	C	76.3	Confident	70.4	Confident	3 Å²	3	83.7 Å²	83.7	2%	0.02	44%	0.442	C	S	.	.			trans	-75.2	124.7	169.5	-170.5	0	0	0	0	109.4	E705 C706 G707 K708 F710 L716	C703-E705 VanDerWaalsContact C-N 3.32Å; C703-C706 VanDerWaalsContact SG-SG 3.67Å; C703-G707 WeakPolarHBondContact O-CA 3.46Å; C703-G707 PolarHBondContact O-N 2.95Å; C703-K708 WeakPolarHBondContact CB-O 3.47Å; C703-K708 PolarHBondContact N-O 3.11Å; C703-F710 HydrophobicContact CB-CE2 4.44Å; C703-L716 HydrophobicContact CB-CD1 3.61Å
704	K	73.2	Confident	70.3	Confident	202 Å²	202	85.5 Å²	85.5	88%	0.878	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-28	179	-66.3	-172.3	176.6	-173.7	0	112.7
705	E	73.2	Confident	70.7	Confident	122 Å²	122	82.4 Å²	82.4	57%	0.57	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-33.2	-175.5	-73.2	155.5	-151.1	0	0	113.4	C703 H723	C703-E705 VanDerWaalsContact C-N 3.32Å; E705-H723 WeakPolarHBondContact OE2-CB 3.48Å; E705-H723 IonicContact OE2-CD2 3.11Å; E705-H723 PolarHBondContact OE2-CD2 3.21Å; E705-H723 IonicContact OE2-CG 3.16Å
706	C	75.1	Confident	71.2	Confident	52 Å²	52	79.6 Å²	79.6	35%	0.351	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	6.3	-176.7	72.3	0	0	0	0	114.5	C703 K708 H719 H723	C703-C706 VanDerWaalsContact SG-SG 3.67Å; C706-K708 PolarHBondContact O-N 3.41Å; C706-H719 PolarHBondContact SG-NE2 3.19Å; C706-H723 PolarHBondContact SG-NE2 3.47Å
707	G	70.8	Confident	71.7	Confident	55 Å²	55	80 Å²	80	57%	0.567	44%	0.435	S	S	*	.			trans	70.1	-10.9	179.5	0	0	0	0	0	116.2	C703 A709	C703-G707 WeakPolarHBondContact O-CA 3.46Å; C703-G707 PolarHBondContact O-N 2.95Å; G707-A709 PolarHBondContact O-N 2.9Å
708	K	69.6	Low	72.1	Confident	134 Å²	134	78.4 Å²	78.4	58%	0.583	42%	0.417	S	S	*	.			trans	-61.3	131	-177.7	-71.4	-177.4	178.7	175.6	0	111.7	C703 C706 F710	C703-K708 WeakPolarHBondContact CB-O 3.47Å; C703-K708 PolarHBondContact N-O 3.11Å; C706-K708 PolarHBondContact O-N 3.41Å; K708-F710 HydrophobicContact CB-CE2 3.89Å; K708-F710 HydrophobicContact CB-CZ 4Å; K708-F710 WeakPolarHBondContact O-CE2 3.3Å
709	A	73.7	Confident	72.7	Confident	32 Å²	32	73.3 Å²	73.3	26%	0.264	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.4	-177.5	0	0	0	0	0	111.8	K699 Y701 K702 G707	K699-A709 HydrophobicContact CB-CB 3.57Å; K699-A709 HydrophobicContact CD-CB 4.17Å; K699-A709 WeakPolarHBondContact CD-O 3.44Å; Y701-A709 CarbonylContact O-C 3.37Å; Y701-A709 WeakPolarHBondContact O-CA 3.46Å; K702-A709 HydrophobicContact CG-CB 3.91Å; G707-A709 PolarHBondContact O-N 2.9Å
710	F	76.1	Confident	72.8	Confident	43 Å²	43	71.4 Å²	71.4	19%	0.189	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.1	-177	-58.6	-89.9	0	0	0	111.1	K699 Y701 C703 K708 L712 L716 H719	K699-F710 CarbonylContact C-O 3.57Å; K699-F710 VanDerWaalsContact C-O 3.23Å; K699-F710 WeakPolarHBondContact CA-O 3.42Å; Y701-F710 PolarHBondContact N-O 3.39Å; Y701-F710 VanDerWaalsContact N-O 3.09Å; Y701-F710 PolarHBondContact O-N 3.24Å; C703-F710 HydrophobicContact CB-CE2 4.44Å; K708-F710 HydrophobicContact CB-CE2 3.89Å; K708-F710 HydrophobicContact CB-CZ 4Å; K708-F710 WeakPolarHBondContact O-CE2 3.3Å; F710-L712 VanDerWaalsContact C-N 3.34Å; F710-L716 HydrophobicContact CB-CB 4.35Å; F710-L716 HydrophobicContact CD2-CB 3.94Å; F710-L716 HydrophobicContact CD2-CD1 3.73Å; F710-L716 HydrophobicContact CD2-CG 4.43Å; F710-L716 HydrophobicContact CE2-CD1 3.89Å; F710-L716 HydrophobicContact CG-CB 4.31Å; F710-H719 HydrophobicContact CE1-CB 4.03Å; F710-H719 HydrophobicContact CE2-CB 3.94Å; F710-H719 AromaticContact CE2-CD2 3.42Å; F710-H719 VanDerWaalsContact CE2-CD2 3.42Å; F710-H719 WeakPolarHBondContact CE2-CD2 3.2Å; F710-H719 AromaticContact CE2-CG 3.6Å; F710-H719 HydrophobicContact CZ-CB 3.53Å; F710-H719 AromaticContact CZ-CD2 3.49Å; F710-H719 VanDerWaalsContact CZ-CD2 3.49Å; F710-H719 WeakPolarHBondContact CZ-CD2 3.33Å; F710-H719 AromaticContact CZ-CG 3.2Å; F710-H719 AromaticContact CZ-ND1 3.57Å; F710-H719 AromaticContact CZ-NE2 3.96Å
711	N	67.1	Low	73.2	Confident	76 Å²	76	70 Å²	70	41%	0.406	37%	0.372	S	S	.	.	S	Bend	trans	-80.3	-16	176	60.4	5.7	0	0	0	112.9	I693	I693-N711 HydrophobicContact CG2-CB 4.16Å
712	L	69.9	Low	73.2	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.246	38%	0.38	C	S	.	.			trans	-129.5	144.3	-179.9	-67.1	167.1	0	0	0	112.1	R690 F710 S714 T715 L716	R690-L712 HydrophobicContact CG-CD2 3.8Å; F710-L712 VanDerWaalsContact C-N 3.34Å; L712-S714 VanDerWaalsContact C-N 3.35Å; L712-T715 HydrophobicContact CB-CG2 4.18Å; L712-T715 WeakPolarHBondContact CB-OG1 3.37Å; L712-T715 HydrophobicContact CD1-CG2 4.49Å; L712-T715 PolarHBondContact O-N 3.36Å; L712-T715 PolarHBondContact O-OG1 3.32Å; L712-L716 PolarHBondContact O-N 3.49Å
713	S	73.4	Confident	73.3	Confident	62 Å²	62	67.1 Å²	67.1	43%	0.434	37%	0.366	S	S	.	.	H	α-helix	trans	-67.4	-36.8	175.3	66	0	0	0	0	111.9	T715 L716 T717	S713-T715 VanDerWaalsContact C-N 3.31Å; S713-T715 PolarHBondContact O-N 3.21Å; S713-L716 PolarHBondContact O-N 2.94Å; S713-T717 PolarHBondContact O-N 3.44Å; S713-T717 PolarHBondContact O-OG1 3.15Å; S713-T717 VanDerWaalsContact O-OG1 3.11Å
714	S	71	Confident	72.7	Confident	77 Å²	77	70.6 Å²	70.6	54%	0.538	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-37.1	178.5	57	0	0	0	0	112.4	L712 T717 A718	L712-S714 VanDerWaalsContact C-N 3.35Å; S714-T717 PolarHBondContact O-N 3.06Å; S714-A718 WeakPolarHBondContact O-CB 3.3Å; S714-A718 PolarHBondContact O-N 3.38Å
715	T	74.8	Confident	72.4	Confident	51 Å²	51	63.5 Å²	63.5	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-71	-35.7	175.4	50.7	0	0	0	0	111.5	L712 S713 H719	L712-T715 HydrophobicContact CB-CG2 4.18Å; L712-T715 WeakPolarHBondContact CB-OG1 3.37Å; L712-T715 HydrophobicContact CD1-CG2 4.49Å; L712-T715 PolarHBondContact O-N 3.36Å; L712-T715 PolarHBondContact O-OG1 3.32Å; S713-T715 VanDerWaalsContact C-N 3.31Å; S713-T715 PolarHBondContact O-N 3.21Å; T715-H719 WeakPolarHBondContact O-CB 3.13Å; T715-H719 PolarHBondContact O-N 2.82Å
716	L	77.1	Confident	72.2	Confident	19 Å²	19	63 Å²	63	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-44.3	171.7	174	62.9	0	0	0	111.2	C703 F710 L712 S713 A718 H719 K720	C703-L716 HydrophobicContact CB-CD1 3.61Å; F710-L716 HydrophobicContact CB-CB 4.35Å; F710-L716 HydrophobicContact CD2-CB 3.94Å; F710-L716 HydrophobicContact CD2-CD1 3.73Å; F710-L716 HydrophobicContact CD2-CG 4.43Å; F710-L716 HydrophobicContact CE2-CD1 3.89Å; F710-L716 HydrophobicContact CG-CB 4.31Å; L712-L716 PolarHBondContact O-N 3.49Å; S713-L716 PolarHBondContact O-N 2.94Å; L716-A718 PolarHBondContact O-N 3.02Å; L716-H719 WeakPolarHBondContact O-CB 3.43Å; L716-H719 PolarHBondContact O-N 3.33Å; L716-K720 HydrophobicContact CD1-CG 4.3Å; L716-K720 WeakPolarHBondContact O-CG 3.18Å; L716-K720 PolarHBondContact O-N 3.22Å
717	T	74.1	Confident	72.1	Confident	84 Å²	84	66.5 Å²	66.5	52%	0.515	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-43	177.5	-57.9	0	0	0	0	111.7	S713 S714 H719 K720	S713-T717 PolarHBondContact O-N 3.44Å; S713-T717 PolarHBondContact O-OG1 3.15Å; S713-T717 VanDerWaalsContact O-OG1 3.11Å; S714-T717 PolarHBondContact O-N 3.06Å; T717-H719 VanDerWaalsContact C-N 3.31Å; T717-K720 PolarHBondContact O-N 2.82Å
718	A	72.5	Confident	72.1	Confident	19 Å²	19	67.3 Å²	67.3	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-65.4	-36.5	174.2	0	0	0	0	0	112	S714 L716 K721 Q740	S714-A718 WeakPolarHBondContact O-CB 3.3Å; S714-A718 PolarHBondContact O-N 3.38Å; L716-A718 PolarHBondContact O-N 3.02Å; A718-K721 WeakPolarHBondContact O-CB 3.27Å; A718-K721 PolarHBondContact O-N 2.75Å; A718-Q740 HydrophobicContact CB-CG 4.25Å
719	H	77.9	Confident	72.4	Confident	19 Å²	19	64.8 Å²	64.8	9%	0.088	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-39.5	175.7	170.8	71.7	0	0	0	112.7	C706 F710 T715 L716 T717 K721 I722 H723	C706-H719 PolarHBondContact SG-NE2 3.19Å; F710-H719 HydrophobicContact CE1-CB 4.03Å; F710-H719 HydrophobicContact CE2-CB 3.94Å; F710-H719 AromaticContact CE2-CD2 3.42Å; F710-H719 VanDerWaalsContact CE2-CD2 3.42Å; F710-H719 WeakPolarHBondContact CE2-CD2 3.2Å; F710-H719 AromaticContact CE2-CG 3.6Å; F710-H719 HydrophobicContact CZ-CB 3.53Å; F710-H719 AromaticContact CZ-CD2 3.49Å; F710-H719 VanDerWaalsContact CZ-CD2 3.49Å; F710-H719 WeakPolarHBondContact CZ-CD2 3.33Å; F710-H719 AromaticContact CZ-CG 3.2Å; F710-H719 AromaticContact CZ-ND1 3.57Å; F710-H719 AromaticContact CZ-NE2 3.96Å; T715-H719 WeakPolarHBondContact O-CB 3.13Å; T715-H719 PolarHBondContact O-N 2.82Å; L716-H719 WeakPolarHBondContact O-CB 3.43Å; L716-H719 PolarHBondContact O-N 3.33Å; T717-H719 VanDerWaalsContact C-N 3.31Å; H719-K721 PolarHBondContact O-N 2.95Å; H719-I722 WeakPolarHBondContact O-CB 2.96Å; H719-I722 WeakPolarHBondContact O-CG1 3.36Å; H719-I722 PolarHBondContact O-N 3.12Å; H719-H723 AromaticContact CE1-NE2 3.79Å; H719-H723 AromaticContact NE2-NE2 3.21Å; H719-H723 PolarHBondContact NE2-NE2 3.05Å
720	K	72.9	Confident	72.3	Confident	87 Å²	87	69.8 Å²	69.8	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-58.8	-30.2	176.3	-76.2	-176.1	173.5	-161.3	0	113.1	L716 T717 I722 H723 T724	L716-K720 HydrophobicContact CD1-CG 4.3Å; L716-K720 WeakPolarHBondContact O-CG 3.18Å; L716-K720 PolarHBondContact O-N 3.22Å; T717-K720 PolarHBondContact O-N 2.82Å; K720-I722 PolarHBondContact O-N 2.74Å; K720-I722 VanDerWaalsContact O-N 3.17Å; K720-H723 PolarHBondContact O-N 3.12Å; K720-T724 PolarHBondContact O-N 3.06Å
721	K	77.2	Confident	72.3	Confident	41 Å²	41	67.8 Å²	67.8	18%	0.178	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-14	174.9	-62.2	-179.3	178.2	-172.4	0	113.8	A718 H719 T724 G725 E726 N739	A718-K721 WeakPolarHBondContact O-CB 3.27Å; A718-K721 PolarHBondContact O-N 2.75Å; H719-K721 PolarHBondContact O-N 2.95Å; K721-T724 WeakPolarHBondContact CA-OG1 3.49Å; K721-G725 PolarHBondContact O-N 2.87Å; K721-E726 PolarHBondContact O-N 3.36Å; K721-N739 WeakPolarHBondContact CD-O 3.43Å
722	I	71.6	Confident	72.6	Confident	105 Å²	105	72 Å²	72	54%	0.538	39%	0.385	S	S	.	.	H	α-helix	trans	-75	-37.7	172.9	-56.7	174.3	0	0	0	109.8	H719 K720	H719-I722 WeakPolarHBondContact O-CB 2.96Å; H719-I722 WeakPolarHBondContact O-CG1 3.36Å; H719-I722 PolarHBondContact O-N 3.12Å; K720-I722 PolarHBondContact O-N 2.74Å; K720-I722 VanDerWaalsContact O-N 3.17Å
723	H	70.9	Confident	72.7	Confident	79 Å²	79	75.6 Å²	75.6	37%	0.366	40%	0.401	S	S	.	.	H	α-helix	trans	-73.9	-37.4	177.9	-61.1	-48.1	0	0	0	112.2	E705 C706 H719 K720 G725	E705-H723 WeakPolarHBondContact OE2-CB 3.48Å; E705-H723 IonicContact OE2-CD2 3.11Å; E705-H723 PolarHBondContact OE2-CD2 3.21Å; E705-H723 IonicContact OE2-CG 3.16Å; C706-H723 PolarHBondContact SG-NE2 3.47Å; H719-H723 AromaticContact CE1-NE2 3.79Å; H719-H723 AromaticContact NE2-NE2 3.21Å; H719-H723 PolarHBondContact NE2-NE2 3.05Å; K720-H723 PolarHBondContact O-N 3.12Å; H723-G725 VanDerWaalsContact C-N 3.32Å
724	T	65.3	Low	72.9	Confident	76 Å²	76	75.1 Å²	75.1	47%	0.466	40%	0.397	S	S	.	.	S	Bend	trans	-82.9	-8.9	178.2	64.5	0	0	0	0	113.6	K720 K721 E726	K720-T724 PolarHBondContact O-N 3.06Å; K721-T724 WeakPolarHBondContact CA-OG1 3.49Å; T724-E726 PolarHBondContact O-N 2.74Å; T724-E726 WeakPolarHBondContact OG1-CG 3.49Å
725	G	67.3	Low	73	Confident	53 Å²	53	74.1 Å²	74.1	55%	0.546	40%	0.398	S	S	.	.			trans	65.4	3.3	-175.6	0	0	0	0	0	114.9	K721 H723 K727	K721-G725 PolarHBondContact O-N 2.87Å; H723-G725 VanDerWaalsContact C-N 3.32Å; G725-K727 PolarHBondContact O-N 3.22Å
726	E	68.2	Low	73	Confident	111 Å²	111	77.9 Å²	77.9	52%	0.519	41%	0.41	S	S	.	.			trans	-64.8	124.1	-175.3	-73.7	178.1	-169.3	0	0	111.8	K721 T724 P728	K721-E726 PolarHBondContact O-N 3.36Å; T724-E726 PolarHBondContact O-N 2.74Å; T724-E726 WeakPolarHBondContact OG1-CG 3.49Å; E726-P728 HydrophobicContact CB-CG 4.39Å; E726-P728 WeakPolarHBondContact O-CD 3.38Å
727	K	72.6	Confident	73	Confident	127 Å²	127	78.6 Å²	78.6	55%	0.552	42%	0.419	S	S	*	.			trans	-118.8	75.1	172.9	-66.2	175.6	-179.1	178.7	0	110.6	G725 Y729 A737 F738 N739	G725-K727 PolarHBondContact O-N 3.22Å; K727-Y729 PolarHBondContact O-N 3.44Å; K727-A737 HydrophobicContact CB-CB 3.66Å; K727-A737 HydrophobicContact CD-CB 4.25Å; K727-F738 CarbonylContact C-O 3.51Å; K727-F738 VanDerWaalsContact C-O 3.26Å; K727-F738 WeakPolarHBondContact CA-O 3.22Å; K727-N739 HydrophobicContact CG-CB 4.47Å
728	P	71.9	Confident	73.1	Confident	71 Å²	71	76.7 Å²	76.7	46%	0.461	40%	0.404	S	S	.	.			trans	-71.2	-14.6	-169.7	-19	33.8	0	0	0	114.4	E726	E726-P728 HydrophobicContact CB-CG 4.39Å; E726-P728 WeakPolarHBondContact O-CD 3.38Å
729	Y	75.4	Confident	73	Confident	82 Å²	82	77.8 Å²	77.8	32%	0.322	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	92.2	-172.3	-55.6	-74.3	0	0	0	109.6	K727 A737 F738	K727-Y729 PolarHBondContact O-N 3.44Å; Y729-A737 CarbonylContact O-C 3.24Å; Y729-A737 WeakPolarHBondContact O-CA 3.27Å; Y729-F738 WeakPolarHBondContact CD2-O 3.41Å; Y729-F738 PolarHBondContact N-O 3.12Å; Y729-F738 VanDerWaalsContact N-O 3.12Å; Y729-F738 PolarHBondContact O-N 3.29Å
730	K	70.2	Confident	72.8	Confident	136 Å²	136	80.4 Å²	80.4	59%	0.591	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	142.3	178.1	-64.9	-177.1	179	-178.8	0	111.2	A737 L744	K730-A737 HydrophobicContact CG-CB 3.94Å; K730-L744 WeakPolarHBondContact O-CD2 3.42Å
731	C	77.7	Confident	72.8	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.007	42%	0.422	C	S	.	.			trans	-86.7	116	169.6	-177.6	0	0	0	0	108.8	E733 C734 G735 K736 L744 H751	C731-E733 PolarHBondContact O-N 3.37Å; C731-C734 PolarHBondContact O-N 3.21Å; C731-C734 VanDerWaalsContact SG-SG 3.63Å; C731-G735 WeakPolarHBondContact O-CA 3.42Å; C731-G735 PolarHBondContact O-N 3.33Å; C731-K736 WeakPolarHBondContact CB-O 3.48Å; C731-K736 PolarHBondContact N-O 3.13Å; C731-L744 HydrophobicContact CB-CD1 3.57Å; C731-H751 VanDerWaalsContact SG-CD2 3.54Å; C731-H751 PolarHBondContact SG-NE2 2.8Å
732	E	73.2	Confident	72.7	Confident	164 Å²	164	80 Å²	80	77%	0.766	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.1	179.3	-56.3	-55.1	144.4	0	0	112.8
733	E	71.7	Confident	73	Confident	123 Å²	123	77.8 Å²	77.8	58%	0.575	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.2	-176.7	-69.3	166.5	170.8	0	0	113.7	C731 H751	C731-E733 PolarHBondContact O-N 3.37Å; E733-H751 WeakPolarHBondContact OE2-CB 3.43Å; E733-H751 IonicContact OE2-CD2 3.08Å; E733-H751 PolarHBondContact OE2-CD2 2.93Å; E733-H751 IonicContact OE2-CG 3.25Å
734	C	77.2	Confident	73.3	Confident	53 Å²	53	75 Å²	75	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	6	-176.9	75.7	0	0	0	0	114.8	C731 K736 H747 H751	C731-C734 PolarHBondContact O-N 3.21Å; C731-C734 VanDerWaalsContact SG-SG 3.63Å; C734-K736 PolarHBondContact O-N 3.34Å; C734-H747 PolarHBondContact SG-NE2 2.9Å; C734-H751 PolarHBondContact SG-NE2 3.29Å
735	G	72.3	Confident	73.7	Confident	55 Å²	55	75.4 Å²	75.4	57%	0.567	41%	0.412	S	S	*	.			trans	70.5	-7.5	179.6	0	0	0	0	0	116	C731 A737	C731-G735 WeakPolarHBondContact O-CA 3.42Å; C731-G735 PolarHBondContact O-N 3.33Å; G735-A737 PolarHBondContact O-N 3.14Å
736	K	75.3	Confident	73.8	Confident	130 Å²	130	75.2 Å²	75.2	57%	0.565	40%	0.4	S	S	*	.			trans	-64.5	128.4	-177.2	-72.3	-177.1	-179.1	177	0	111.6	C731 C734 F738	C731-K736 WeakPolarHBondContact CB-O 3.48Å; C731-K736 PolarHBondContact N-O 3.13Å; C734-K736 PolarHBondContact O-N 3.34Å; K736-F738 HydrophobicContact CB-CE2 3.91Å; K736-F738 HydrophobicContact CB-CZ 4.03Å; K736-F738 WeakPolarHBondContact O-CE2 3.39Å
737	A	77.4	Confident	74.2	Confident	35 Å²	35	70.9 Å²	70.9	29%	0.289	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.8	-177.8	0	0	0	0	0	112.1	K727 Y729 K730 G735	K727-A737 HydrophobicContact CB-CB 3.66Å; K727-A737 HydrophobicContact CD-CB 4.25Å; Y729-A737 CarbonylContact O-C 3.24Å; Y729-A737 WeakPolarHBondContact O-CA 3.27Å; K730-A737 HydrophobicContact CG-CB 3.94Å; G735-A737 PolarHBondContact O-N 3.14Å
738	F	76.6	Confident	74.2	Confident	43 Å²	43	69.1 Å²	69.1	19%	0.189	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.3	-177.9	-57.7	-89.5	0	0	0	111	K727 Y729 K736 N743 L744 H747	K727-F738 CarbonylContact C-O 3.51Å; K727-F738 VanDerWaalsContact C-O 3.26Å; K727-F738 WeakPolarHBondContact CA-O 3.22Å; Y729-F738 WeakPolarHBondContact CD2-O 3.41Å; Y729-F738 PolarHBondContact N-O 3.12Å; Y729-F738 VanDerWaalsContact N-O 3.12Å; Y729-F738 PolarHBondContact O-N 3.29Å; K736-F738 HydrophobicContact CB-CE2 3.91Å; K736-F738 HydrophobicContact CB-CZ 4.03Å; K736-F738 WeakPolarHBondContact O-CE2 3.39Å; F738-N743 HydrophobicContact CB-CB 4.16Å; F738-N743 HydrophobicContact CD1-CB 3.86Å; F738-N743 HydrophobicContact CG-CB 4.22Å; F738-L744 HydrophobicContact CB-CB 4.43Å; F738-L744 HydrophobicContact CD2-CB 3.91Å; F738-L744 HydrophobicContact CD2-CD1 3.86Å; F738-L744 HydrophobicContact CD2-CG 4.5Å; F738-L744 HydrophobicContact CE2-CD1 4.01Å; F738-L744 HydrophobicContact CG-CB 4.38Å; F738-H747 HydrophobicContact CE1-CB 4.16Å; F738-H747 HydrophobicContact CE2-CB 3.82Å; F738-H747 AromaticContact CE2-CD2 3.48Å; F738-H747 VanDerWaalsContact CE2-CD2 3.48Å; F738-H747 WeakPolarHBondContact CE2-CD2 3.24Å; F738-H747 AromaticContact CE2-CG 3.59Å; F738-H747 HydrophobicContact CZ-CB 3.5Å; F738-H747 AromaticContact CZ-CD2 3.59Å; F738-H747 AromaticContact CZ-CG 3.25Å; F738-H747 AromaticContact CZ-ND1 3.64Å
739	N	70.2	Confident	74.2	Confident	42 Å²	42	67.9 Å²	67.9	23%	0.225	36%	0.36	C	S	.	.	S	Bend	trans	-81.2	-16.1	177.3	59.9	9.8	0	0	0	113.5	K721 K727	K721-N739 WeakPolarHBondContact CD-O 3.43Å; K727-N739 HydrophobicContact CG-CB 4.47Å
740	Q	73.4	Confident	74	Confident	74 Å²	74	68.8 Å²	68.8	35%	0.346	37%	0.369	S	S	.	.	S	Bend	trans	-130.7	140.8	178.9	-63.2	178.9	24.8	0	0	110.8	A718 S742 N743 L744	A718-Q740 HydrophobicContact CB-CG 4.25Å; Q740-S742 PolarHBondContact O-N 2.9Å; Q740-N743 PolarHBondContact O-N 3.47Å; Q740-L744 PolarHBondContact O-N 3Å
741	S	74	Confident	74	Confident	61 Å²	61	65.8 Å²	65.8	43%	0.427	36%	0.357	S	S	.	.	H	α-helix	trans	-66.3	-34.9	-178.9	56.5	0	0	0	0	113	N743 L744 T745	S741-N743 PolarHBondContact O-N 3.03Å; S741-L744 PolarHBondContact O-N 3.14Å; S741-T745 PolarHBondContact O-N 2.81Å; S741-T745 PolarHBondContact O-OG1 2.86Å; S741-T745 VanDerWaalsContact O-OG1 3.09Å
742	S	74.3	Confident	73.3	Confident	59 Å²	59	69 Å²	69	41%	0.413	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-38.5	175.5	50.2	0	0	0	0	112.2	Q740 T745 T746	Q740-S742 PolarHBondContact O-N 2.9Å; S742-T745 PolarHBondContact O-N 3.05Å; S742-T746 PolarHBondContact O-N 3.32Å; S742-T746 PolarHBondContact O-OG1 2.95Å
743	N	78.2	Confident	72.7	Confident	59 Å²	59	65.8 Å²	65.8	32%	0.316	37%	0.372	S	S	.	.	H	α-helix	trans	-69.5	-39.4	-179.9	-63	-6.2	0	0	0	110.8	F738 Q740 S741 T746 H747	F738-N743 HydrophobicContact CB-CB 4.16Å; F738-N743 HydrophobicContact CD1-CB 3.86Å; F738-N743 HydrophobicContact CG-CB 4.22Å; Q740-N743 PolarHBondContact O-N 3.47Å; S741-N743 PolarHBondContact O-N 3.03Å; N743-T746 WeakPolarHBondContact CA-OG1 3.43Å; N743-T746 PolarHBondContact O-N 3.46Å; N743-T746 PolarHBondContact O-OG1 2.98Å; N743-H747 WeakPolarHBondContact O-CB 3.43Å; N743-H747 PolarHBondContact O-N 3.49Å
744	L	77.8	Confident	72.2	Confident	20 Å²	20	65.3 Å²	65.3	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-44	171.3	175.7	63	0	0	0	111.1	K730 C731 F738 Q740 S741 T746 H747 K748	K730-L744 WeakPolarHBondContact O-CD2 3.42Å; C731-L744 HydrophobicContact CB-CD1 3.57Å; F738-L744 HydrophobicContact CB-CB 4.43Å; F738-L744 HydrophobicContact CD2-CB 3.91Å; F738-L744 HydrophobicContact CD2-CD1 3.86Å; F738-L744 HydrophobicContact CD2-CG 4.5Å; F738-L744 HydrophobicContact CE2-CD1 4.01Å; F738-L744 HydrophobicContact CG-CB 4.38Å; Q740-L744 PolarHBondContact O-N 3Å; S741-L744 PolarHBondContact O-N 3.14Å; L744-T746 PolarHBondContact O-N 3.23Å; L744-H747 WeakPolarHBondContact O-CB 3.39Å; L744-H747 PolarHBondContact O-N 3.49Å; L744-H747 VanDerWaalsContact O-N 3.14Å; L744-K748 HydrophobicContact CD1-CG 4.17Å; L744-K748 HydrophobicContact CG-CG 4.46Å; L744-K748 WeakPolarHBondContact O-CG 3.44Å; L744-K748 PolarHBondContact O-N 3.31Å
745	T	73.1	Confident	71.8	Confident	84 Å²	84	68.9 Å²	68.9	52%	0.515	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-42.5	177.7	-54.4	0	0	0	0	112	S741 S742 H747	S741-T745 PolarHBondContact O-N 2.81Å; S741-T745 PolarHBondContact O-OG1 2.86Å; S741-T745 VanDerWaalsContact O-OG1 3.09Å; S742-T745 PolarHBondContact O-N 3.05Å; T745-H747 VanDerWaalsContact C-N 3.3Å
746	T	69.8	Low	71.5	Confident	49 Å²	49	69.9 Å²	69.9	30%	0.301	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-33	174	49.8	0	0	0	0	112.4	S742 N743 L744 K749 Q768	S742-T746 PolarHBondContact O-N 3.32Å; S742-T746 PolarHBondContact O-OG1 2.95Å; N743-T746 WeakPolarHBondContact CA-OG1 3.43Å; N743-T746 PolarHBondContact O-N 3.46Å; N743-T746 PolarHBondContact O-OG1 2.98Å; L744-T746 PolarHBondContact O-N 3.23Å; T746-K749 PolarHBondContact O-N 3.42Å; T746-Q768 HydrophobicContact CG2-CG 4.46Å
747	H	76.9	Confident	71.3	Confident	20 Å²	20	67.4 Å²	67.4	9%	0.093	36%	0.364	C	S	.	.	H	α-helix	trans	-70.3	-41.3	177.9	175.4	70	0	0	0	112.2	C734 F738 N743 L744 T745 K749 I750 H751	C734-H747 PolarHBondContact SG-NE2 2.9Å; F738-H747 HydrophobicContact CE1-CB 4.16Å; F738-H747 HydrophobicContact CE2-CB 3.82Å; F738-H747 AromaticContact CE2-CD2 3.48Å; F738-H747 VanDerWaalsContact CE2-CD2 3.48Å; F738-H747 WeakPolarHBondContact CE2-CD2 3.24Å; F738-H747 AromaticContact CE2-CG 3.59Å; F738-H747 HydrophobicContact CZ-CB 3.5Å; F738-H747 AromaticContact CZ-CD2 3.59Å; F738-H747 AromaticContact CZ-CG 3.25Å; F738-H747 AromaticContact CZ-ND1 3.64Å; N743-H747 WeakPolarHBondContact O-CB 3.43Å; N743-H747 PolarHBondContact O-N 3.49Å; L744-H747 WeakPolarHBondContact O-CB 3.39Å; L744-H747 PolarHBondContact O-N 3.49Å; L744-H747 VanDerWaalsContact O-N 3.14Å; T745-H747 VanDerWaalsContact C-N 3.3Å; H747-K749 PolarHBondContact O-N 3.39Å; H747-I750 WeakPolarHBondContact O-CB 3.46Å; H747-I750 WeakPolarHBondContact O-CG1 3.35Å; H747-I750 PolarHBondContact O-N 3.33Å; H747-H751 AromaticContact CD2-NE2 3.85Å; H747-H751 AromaticContact CE1-NE2 3.88Å; H747-H751 AromaticContact NE2-CE1 3.91Å; H747-H751 AromaticContact NE2-NE2 3.2Å; H747-H751 PolarHBondContact NE2-NE2 2.95Å; H747-H751 VanDerWaalsContact NE2-NE2 3.2Å
748	K	71.1	Confident	70.8	Confident	90 Å²	90	71.1 Å²	71.1	39%	0.391	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-30.1	175.7	-75	-169.8	173.9	-160.7	0	113	L744 I750 H751 T752	L744-K748 HydrophobicContact CD1-CG 4.17Å; L744-K748 HydrophobicContact CG-CG 4.46Å; L744-K748 WeakPolarHBondContact O-CG 3.44Å; L744-K748 PolarHBondContact O-N 3.31Å; K748-I750 PolarHBondContact O-N 3.29Å; K748-H751 PolarHBondContact O-N 3.01Å; K748-H751 VanDerWaalsContact O-N 3.09Å; K748-T752 PolarHBondContact O-N 3.31Å
749	K	73.5	Confident	70.8	Confident	46 Å²	46	69.1 Å²	69.1	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-66.1	-14.2	174.6	-63.8	-179.1	179.5	-169.1	0	114.1	T746 H747 S753	T746-K749 PolarHBondContact O-N 3.42Å; H747-K749 PolarHBondContact O-N 3.39Å; K749-S753 PolarHBondContact O-N 3.45Å
750	I	70.3	Confident	70.9	Confident	100 Å²	100	74.4 Å²	74.4	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-76.1	-39	173.3	-57.4	174.9	0	0	0	109.6	H747 K748	H747-I750 WeakPolarHBondContact O-CB 3.46Å; H747-I750 WeakPolarHBondContact O-CG1 3.35Å; H747-I750 PolarHBondContact O-N 3.33Å; K748-I750 PolarHBondContact O-N 3.29Å
751	H	70.6	Confident	70.8	Confident	73 Å²	73	77 Å²	77	34%	0.338	40%	0.4	S	S	.	.	H	α-helix	trans	-72	-39.6	178.4	-59.7	-49.8	0	0	0	112.1	C731 E733 C734 H747 K748 S753	C731-H751 VanDerWaalsContact SG-CD2 3.54Å; C731-H751 PolarHBondContact SG-NE2 2.8Å; E733-H751 WeakPolarHBondContact OE2-CB 3.43Å; E733-H751 IonicContact OE2-CD2 3.08Å; E733-H751 PolarHBondContact OE2-CD2 2.93Å; E733-H751 IonicContact OE2-CG 3.25Å; C734-H751 PolarHBondContact SG-NE2 3.29Å; H747-H751 AromaticContact CD2-NE2 3.85Å; H747-H751 AromaticContact CE1-NE2 3.88Å; H747-H751 AromaticContact NE2-CE1 3.91Å; H747-H751 AromaticContact NE2-NE2 3.2Å; H747-H751 PolarHBondContact NE2-NE2 2.95Å; H747-H751 VanDerWaalsContact NE2-NE2 3.2Å; K748-H751 PolarHBondContact O-N 3.01Å; K748-H751 VanDerWaalsContact O-N 3.09Å; H751-S753 VanDerWaalsContact C-N 3.26Å; H751-S753 PolarHBondContact O-N 2.81Å
752	T	62.9	Low	70.9	Confident	69 Å²	69	76.5 Å²	76.5	42%	0.423	40%	0.396	S	S	.	.	S	Bend	trans	-79.3	-6	179.1	62.7	0	0	0	0	113.8	K748 E754	K748-T752 PolarHBondContact O-N 3.31Å; T752-E754 PolarHBondContact O-N 3.47Å
753	S	60.6	Low	70.8	Confident	96 Å²	96	75.5 Å²	75.5	67%	0.671	40%	0.395	S	S	*	.			trans	49.7	16.4	-172.1	-67.1	0	0	0	0	115	K749 H751 K755	K749-S753 PolarHBondContact O-N 3.45Å; H751-S753 VanDerWaalsContact C-N 3.26Å; H751-S753 PolarHBondContact O-N 2.81Å; S753-K755 PolarHBondContact O-N 2.75Å
754	E	61.9	Low	70.6	Confident	113 Å²	113	78.9 Å²	78.9	53%	0.528	41%	0.407	S	S	.	.			trans	-69	121.6	-179.8	-74.6	179.4	-178.8	0	0	109.8	T752 P756	T752-E754 PolarHBondContact O-N 3.47Å; E754-P756 VanDerWaalsContact C-CD 3.5Å; E754-P756 HydrophobicContact CB-CG 4.45Å; E754-P756 WeakPolarHBondContact O-CD 3.36Å
755	K	67.8	Low	70.4	Confident	129 Å²	129	80.2 Å²	80.2	56%	0.561	42%	0.418	S	S	*	.			trans	-117	74.7	173.7	-67.5	172.3	174.9	-178.8	0	109.5	S753 Y757 S765 F766	S753-K755 PolarHBondContact O-N 2.75Å; K755-Y757 PolarHBondContact O-N 3.1Å; K755-Y757 VanDerWaalsContact O-N 3.15Å; K755-S765 WeakPolarHBondContact CD-O 3.44Å; K755-F766 CarbonylContact C-O 3.58Å; K755-F766 VanDerWaalsContact C-O 3.31Å; K755-F766 WeakPolarHBondContact CA-O 3.24Å
756	P	66.2	Low	70.5	Confident	76 Å²	76	78.2 Å²	78.2	49%	0.494	40%	0.402	S	S	.	.			trans	-70.7	-13.7	-169.7	-15.7	31	0	0	0	113.6	E754	E754-P756 VanDerWaalsContact C-CD 3.5Å; E754-P756 HydrophobicContact CB-CG 4.45Å; E754-P756 WeakPolarHBondContact O-CD 3.36Å
757	Y	70.6	Confident	70.3	Confident	78 Å²	78	78.3 Å²	78.3	31%	0.306	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	93	-172.4	-56.2	-70.4	0	0	0	109.6	K755 S765 F766 F769	K755-Y757 PolarHBondContact O-N 3.1Å; K755-Y757 VanDerWaalsContact O-N 3.15Å; Y757-S765 CarbonylContact O-C 3.6Å; Y757-S765 WeakPolarHBondContact O-CA 3.43Å; Y757-F766 PolarHBondContact N-O 3.44Å; Y757-F766 PolarHBondContact O-N 2.84Å; Y757-F769 HydrophobicContact CD1-CB 4.1Å; Y757-F769 AromaticContact CD1-CD2 3.76Å; Y757-F769 HydrophobicContact CD1-CD2 3.76Å; Y757-F769 HydrophobicContact CD1-CG 4.44Å; Y757-F769 HydrophobicContact CD2-CB 4.4Å; Y757-F769 HydrophobicContact CE1-CB 3.93Å; Y757-F769 AromaticContact CE1-CD2 3.96Å; Y757-F769 HydrophobicContact CE1-CD2 3.96Å; Y757-F769 HydrophobicContact CE1-CG 4.39Å; Y757-F769 HydrophobicContact CE2-CB 4.23Å; Y757-F769 HydrophobicContact CG-CB 4.33Å; Y757-F769 HydrophobicContact CG-CD2 4.48Å
758	K	67.3	Low	69.9	Low	113 Å²	113	80.7 Å²	80.7	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138	178	-167.9	180	178.2	-169.6	0	110.9
759	C	76.6	Confident	69.8	Low	0 Å²	0	81.7 Å²	81.7	0%	0	42%	0.417	C	S	.	.			trans	-81.5	118.3	166.6	-170.1	0	0	0	0	108.9	E761 G763 K764 F766 L772	C759-E761 VanDerWaalsContact C-N 3.26Å; C759-E761 PolarHBondContact O-N 3.36Å; C759-G763 WeakPolarHBondContact O-CA 3.41Å; C759-G763 PolarHBondContact O-N 3.29Å; C759-K764 WeakPolarHBondContact CB-O 3.24Å; C759-K764 PolarHBondContact N-O 3.27Å; C759-F766 HydrophobicContact CB-CE2 4.44Å; C759-L772 HydrophobicContact CB-CD1 3.6Å
760	E	72.7	Confident	69.6	Low	153 Å²	153	82.6 Å²	82.6	72%	0.715	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.8	179.1	-59.8	-56.3	149.3	0	0	112.5
761	E	71.2	Confident	69.8	Low	128 Å²	128	79.6 Å²	79.6	60%	0.598	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-28.2	-176.3	-69.2	169.5	176.8	0	0	113.9	C759 H779	C759-E761 VanDerWaalsContact C-N 3.26Å; C759-E761 PolarHBondContact O-N 3.36Å; E761-H779 WeakPolarHBondContact OE2-CB 3.46Å; E761-H779 IonicContact OE2-CD2 3.06Å; E761-H779 PolarHBondContact OE2-CD2 2.8Å; E761-H779 IonicContact OE2-CG 3.19Å
762	C	76.1	Confident	70.1	Confident	52 Å²	52	76.5 Å²	76.5	35%	0.351	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	4.7	-176.6	74.1	0	0	0	0	114.3	K764 H775 H779	C762-K764 PolarHBondContact O-N 3.02Å; C762-H775 PolarHBondContact SG-NE2 3.12Å; C762-H779 PolarHBondContact SG-NE2 2.79Å
763	G	71.4	Confident	70.6	Confident	38 Å²	38	76.8 Å²	76.8	39%	0.392	40%	0.402	S	S	.	.			trans	71.4	-5.5	178.5	0	0	0	0	0	116.3	C759 S765	C759-G763 WeakPolarHBondContact O-CA 3.41Å; C759-G763 PolarHBondContact O-N 3.29Å; G763-S765 PolarHBondContact O-N 3.42Å
764	K	74.4	Confident	71.1	Confident	129 Å²	129	75.7 Å²	75.7	56%	0.561	39%	0.388	S	S	*	.			trans	-67.2	130	-178.5	-70.4	-178.5	-179.9	177.8	0	111.4	C759 C762 F766	C759-K764 WeakPolarHBondContact CB-O 3.24Å; C759-K764 PolarHBondContact N-O 3.27Å; C762-K764 PolarHBondContact O-N 3.02Å; K764-F766 HydrophobicContact CB-CE2 3.88Å; K764-F766 HydrophobicContact CB-CZ 3.99Å; K764-F766 VanDerWaalsContact O-CE2 3.29Å; K764-F766 WeakPolarHBondContact O-CE2 3.46Å
765	S	74.5	Confident	71.8	Confident	48 Å²	48	71.2 Å²	71.2	34%	0.336	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.4	-179.6	-56.6	0	0	0	0	112.4	K755 Y757 G763	K755-S765 WeakPolarHBondContact CD-O 3.44Å; Y757-S765 CarbonylContact O-C 3.6Å; Y757-S765 WeakPolarHBondContact O-CA 3.43Å; G763-S765 PolarHBondContact O-N 3.42Å
766	F	74.9	Confident	72	Confident	43 Å²	43	68.9 Å²	68.9	19%	0.189	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.4	-175.8	-58.6	-90.8	0	0	0	111.3	K755 Y757 C759 K764 L772 H775	K755-F766 CarbonylContact C-O 3.58Å; K755-F766 VanDerWaalsContact C-O 3.31Å; K755-F766 WeakPolarHBondContact CA-O 3.24Å; Y757-F766 PolarHBondContact N-O 3.44Å; Y757-F766 PolarHBondContact O-N 2.84Å; C759-F766 HydrophobicContact CB-CE2 4.44Å; K764-F766 HydrophobicContact CB-CE2 3.88Å; K764-F766 HydrophobicContact CB-CZ 3.99Å; K764-F766 VanDerWaalsContact O-CE2 3.29Å; K764-F766 WeakPolarHBondContact O-CE2 3.46Å; F766-L772 HydrophobicContact CB-CB 4.31Å; F766-L772 HydrophobicContact CD2-CB 3.88Å; F766-L772 HydrophobicContact CD2-CD1 3.73Å; F766-L772 HydrophobicContact CD2-CG 4.41Å; F766-L772 HydrophobicContact CE2-CD1 3.9Å; F766-L772 HydrophobicContact CG-CB 4.26Å; F766-H775 HydrophobicContact CE1-CB 3.97Å; F766-H775 HydrophobicContact CE2-CB 3.8Å; F766-H775 AromaticContact CE2-CD2 3.48Å; F766-H775 VanDerWaalsContact CE2-CD2 3.48Å; F766-H775 WeakPolarHBondContact CE2-CD2 2.95Å; F766-H775 AromaticContact CE2-CG 3.61Å; F766-H775 HydrophobicContact CZ-CB 3.4Å; F766-H775 AromaticContact CZ-CD2 3.52Å; F766-H775 AromaticContact CZ-CG 3.19Å; F766-H775 AromaticContact CZ-ND1 3.67Å
767	N	65	Low	72.3	Confident	51 Å²	51	66.7 Å²	66.7	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-81.1	-16.4	177.5	60.6	7	0	0	0	113.3
768	Q	69.3	Low	72.3	Confident	70 Å²	70	68.4 Å²	68.4	33%	0.327	35%	0.354	S	S	.	.	S	Bend	trans	-130.9	140.8	178.1	-62.1	179.7	15.7	0	0	111	T746 S770 S771 L772	T746-Q768 HydrophobicContact CG2-CG 4.46Å; Q768-S770 VanDerWaalsContact C-N 3.33Å; Q768-S770 PolarHBondContact O-N 3.12Å; Q768-S770 PolarHBondContact OE1-OG 3.22Å; Q768-S771 WeakPolarHBondContact O-CB 3.21Å; Q768-S771 PolarHBondContact O-N 3.27Å; Q768-L772 PolarHBondContact O-N 3.26Å
769	F	67.4	Low	72.5	Confident	110 Å²	110	66.8 Å²	66.8	48%	0.482	35%	0.347	S	S	.	.	H	α-helix	trans	-65.2	-34.7	178.4	-175.9	-100.4	0	0	0	112.8	Y757 S771 L772 N773	Y757-F769 HydrophobicContact CD1-CB 4.1Å; Y757-F769 AromaticContact CD1-CD2 3.76Å; Y757-F769 HydrophobicContact CD1-CD2 3.76Å; Y757-F769 HydrophobicContact CD1-CG 4.44Å; Y757-F769 HydrophobicContact CD2-CB 4.4Å; Y757-F769 HydrophobicContact CE1-CB 3.93Å; Y757-F769 AromaticContact CE1-CD2 3.96Å; Y757-F769 HydrophobicContact CE1-CD2 3.96Å; Y757-F769 HydrophobicContact CE1-CG 4.39Å; Y757-F769 HydrophobicContact CE2-CB 4.23Å; Y757-F769 HydrophobicContact CG-CB 4.33Å; Y757-F769 HydrophobicContact CG-CD2 4.48Å; F769-S771 VanDerWaalsContact C-N 3.29Å; F769-S771 PolarHBondContact O-N 3.46Å; F769-L772 PolarHBondContact O-N 3.18Å; F769-N773 WeakPolarHBondContact CE1-ND2 3.19Å; F769-N773 PolarHBondContact O-N 3.42Å
770	S	69.6	Low	72	Confident	65 Å²	65	70.3 Å²	70.3	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-57.9	-41.2	173	40.7	0	0	0	0	112	Q768 N773 I774	Q768-S770 VanDerWaalsContact C-N 3.33Å; Q768-S770 PolarHBondContact O-N 3.12Å; Q768-S770 PolarHBondContact OE1-OG 3.22Å; S770-N773 PolarHBondContact O-N 3.43Å; S770-I774 WeakPolarHBondContact O-CG1 3.34Å; S770-I774 PolarHBondContact O-N 2.95Å
771	S	75.3	Confident	71.5	Confident	38 Å²	38	65.6 Å²	65.6	27%	0.266	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-39.6	177.6	-51.8	0	0	0	0	112.1	Q768 F769 I774 H775	Q768-S771 WeakPolarHBondContact O-CB 3.21Å; Q768-S771 PolarHBondContact O-N 3.27Å; F769-S771 VanDerWaalsContact C-N 3.29Å; F769-S771 PolarHBondContact O-N 3.46Å; S771-I774 PolarHBondContact O-N 2.9Å; S771-H775 VanDerWaalsContact O-CB 3.31Å; S771-H775 WeakPolarHBondContact O-CB 2.99Å; S771-H775 PolarHBondContact O-N 3.02Å
772	L	77.4	Confident	71.4	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-43.9	172.1	174.6	63.6	0	0	0	111.4	C759 F766 Q768 F769 I774 H775 K776	C759-L772 HydrophobicContact CB-CD1 3.6Å; F766-L772 HydrophobicContact CB-CB 4.31Å; F766-L772 HydrophobicContact CD2-CB 3.88Å; F766-L772 HydrophobicContact CD2-CD1 3.73Å; F766-L772 HydrophobicContact CD2-CG 4.41Å; F766-L772 HydrophobicContact CE2-CD1 3.9Å; F766-L772 HydrophobicContact CG-CB 4.26Å; Q768-L772 PolarHBondContact O-N 3.26Å; F769-L772 PolarHBondContact O-N 3.18Å; L772-I774 PolarHBondContact O-N 3.41Å; L772-H775 CarbonylContact O-C 3.57Å; L772-H775 WeakPolarHBondContact O-CB 3.17Å; L772-H775 PolarHBondContact O-N 3.1Å; L772-H775 VanDerWaalsContact O-N 3.15Å; L772-K776 HydrophobicContact CD1-CG 4.29Å; L772-K776 HydrophobicContact CG-CD 4.5Å; L772-K776 WeakPolarHBondContact O-CG 3.35Å; L772-K776 PolarHBondContact O-N 3.44Å
773	N	72.3	Confident	71.1	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-42.1	178.3	-97.6	8.3	0	0	0	112.4	F769 S770 H775 K776 I777	F769-N773 WeakPolarHBondContact CE1-ND2 3.19Å; F769-N773 PolarHBondContact O-N 3.42Å; S770-N773 PolarHBondContact O-N 3.43Å; N773-H775 VanDerWaalsContact C-N 3.27Å; N773-H775 PolarHBondContact O-N 3.2Å; N773-K776 PolarHBondContact O-N 2.73Å; N773-I777 WeakPolarHBondContact O-CG1 3.36Å; N773-I777 PolarHBondContact O-N 2.83Å
774	I	70.9	Confident	70.8	Confident	74 Å²	74	70.2 Å²	70.2	38%	0.379	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-41	173	-69.1	166.1	0	0	0	110.3	S770 S771 L772 I777 L796	S770-I774 WeakPolarHBondContact O-CG1 3.34Å; S770-I774 PolarHBondContact O-N 2.95Å; S771-I774 PolarHBondContact O-N 2.9Å; L772-I774 PolarHBondContact O-N 3.41Å; I774-I777 WeakPolarHBondContact O-CB 3.25Å; I774-I777 PolarHBondContact O-N 3.35Å; I774-L796 HydrophobicContact CD1-CD2 4.17Å; I774-L796 HydrophobicContact CG1-CD2 4.5Å; I774-L796 HydrophobicContact CG2-CD1 4.36Å; I774-L796 HydrophobicContact CG2-CD2 3.77Å; I774-L796 HydrophobicContact CG2-CG 4.07Å
775	H	77.1	Confident	70.5	Confident	18 Å²	18	68.5 Å²	68.5	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-38.9	178.1	177.2	67.6	0	0	0	113	C762 F766 S771 L772 N773 I777 I778 H779	C762-H775 PolarHBondContact SG-NE2 3.12Å; F766-H775 HydrophobicContact CE1-CB 3.97Å; F766-H775 HydrophobicContact CE2-CB 3.8Å; F766-H775 AromaticContact CE2-CD2 3.48Å; F766-H775 VanDerWaalsContact CE2-CD2 3.48Å; F766-H775 WeakPolarHBondContact CE2-CD2 2.95Å; F766-H775 AromaticContact CE2-CG 3.61Å; F766-H775 HydrophobicContact CZ-CB 3.4Å; F766-H775 AromaticContact CZ-CD2 3.52Å; F766-H775 AromaticContact CZ-CG 3.19Å; F766-H775 AromaticContact CZ-ND1 3.67Å; S771-H775 VanDerWaalsContact O-CB 3.31Å; S771-H775 WeakPolarHBondContact O-CB 2.99Å; S771-H775 PolarHBondContact O-N 3.02Å; L772-H775 CarbonylContact O-C 3.57Å; L772-H775 WeakPolarHBondContact O-CB 3.17Å; L772-H775 PolarHBondContact O-N 3.1Å; L772-H775 VanDerWaalsContact O-N 3.15Å; N773-H775 VanDerWaalsContact C-N 3.27Å; N773-H775 PolarHBondContact O-N 3.2Å; H775-I777 PolarHBondContact O-N 2.78Å; H775-I778 WeakPolarHBondContact O-CB 3.09Å; H775-I778 PolarHBondContact O-N 2.91Å; H775-H779 AromaticContact CD2-NE2 3.71Å; H775-H779 AromaticContact CE1-NE2 3.61Å; H775-H779 AromaticContact NE2-CD2 3.9Å; H775-H779 AromaticContact NE2-CE1 3.8Å; H775-H779 AromaticContact NE2-NE2 2.99Å; H775-H779 PolarHBondContact NE2-NE2 3.26Å
776	K	71.3	Confident	70.3	Confident	80 Å²	80	73.5 Å²	73.5	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-62.7	-27.6	175.3	-73.8	-175.8	174.5	-163.6	0	113.5	L772 N773 I778 H779 T780	L772-K776 HydrophobicContact CD1-CG 4.29Å; L772-K776 HydrophobicContact CG-CD 4.5Å; L772-K776 WeakPolarHBondContact O-CG 3.35Å; L772-K776 PolarHBondContact O-N 3.44Å; N773-K776 PolarHBondContact O-N 2.73Å; K776-I778 PolarHBondContact O-N 2.93Å; K776-H779 PolarHBondContact O-N 2.83Å; K776-T780 PolarHBondContact O-N 3.47Å; K776-T780 PolarHBondContact O-OG1 3.42Å
777	I	73.7	Confident	70.2	Confident	30 Å²	30	71.6 Å²	71.6	15%	0.154	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-24	173.7	-63.4	169.6	0	0	0	111	N773 I774 H775 T780 G781 E782 P784 N795	N773-I777 WeakPolarHBondContact O-CG1 3.36Å; N773-I777 PolarHBondContact O-N 2.83Å; I774-I777 WeakPolarHBondContact O-CB 3.25Å; I774-I777 PolarHBondContact O-N 3.35Å; H775-I777 PolarHBondContact O-N 2.78Å; I777-T780 WeakPolarHBondContact CA-OG1 3.27Å; I777-T780 PolarHBondContact O-OG1 2.82Å; I777-G781 PolarHBondContact O-N 3.48Å; I777-E782 WeakPolarHBondContact CG2-O 3.24Å; I777-P784 HydrophobicContact CD1-CG 4.3Å; I777-N795 HydrophobicContact CG2-CB 3.93Å
778	I	69.4	Low	70	Confident	115 Å²	115	72.7 Å²	72.7	59%	0.59	39%	0.394	S	S	*	.	H	α-helix	trans	-71.4	-39.7	176.6	-55.7	175.1	0	0	0	111.1	H775 K776	H775-I778 WeakPolarHBondContact O-CB 3.09Å; H775-I778 PolarHBondContact O-N 2.91Å; K776-I778 PolarHBondContact O-N 2.93Å
779	H	70.9	Confident	69.5	Low	78 Å²	78	74.6 Å²	74.6	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-72.1	-39	178.6	-63.1	-50.7	0	0	0	112.6	E761 C762 H775 K776 G781	E761-H779 WeakPolarHBondContact OE2-CB 3.46Å; E761-H779 IonicContact OE2-CD2 3.06Å; E761-H779 PolarHBondContact OE2-CD2 2.8Å; E761-H779 IonicContact OE2-CG 3.19Å; C762-H779 PolarHBondContact SG-NE2 2.79Å; H775-H779 AromaticContact CD2-NE2 3.71Å; H775-H779 AromaticContact CE1-NE2 3.61Å; H775-H779 AromaticContact NE2-CD2 3.9Å; H775-H779 AromaticContact NE2-CE1 3.8Å; H775-H779 AromaticContact NE2-NE2 2.99Å; H775-H779 PolarHBondContact NE2-NE2 3.26Å; K776-H779 PolarHBondContact O-N 2.83Å; H779-G781 VanDerWaalsContact C-N 3.35Å
780	T	66.9	Low	69.1	Low	74 Å²	74	77.8 Å²	77.8	45%	0.454	42%	0.416	S	S	.	.	H	α-helix	trans	-80.4	-16.1	-179.1	52.3	0	0	0	0	113.2	K776 I777 E782	K776-T780 PolarHBondContact O-N 3.47Å; K776-T780 PolarHBondContact O-OG1 3.42Å; I777-T780 WeakPolarHBondContact CA-OG1 3.27Å; I777-T780 PolarHBondContact O-OG1 2.82Å; T780-E782 PolarHBondContact O-N 3.22Å
781	G	63.5	Low	68.7	Low	54 Å²	54	77.5 Å²	77.5	56%	0.557	42%	0.423	S	S	*	.			trans	64.6	4.6	-176.3	0	0	0	0	0	114.3	I777 H779	I777-G781 PolarHBondContact O-N 3.48Å; H779-G781 VanDerWaalsContact C-N 3.35Å
782	E	67.5	Low	68.4	Low	124 Å²	124	83.6 Å²	83.6	58%	0.579	44%	0.441	S	S	*	.			trans	-64.1	143	-176.5	-73.2	-173.6	175.3	0	0	110.9	I777 T780 P784	I777-E782 WeakPolarHBondContact CG2-O 3.24Å; T780-E782 PolarHBondContact O-N 3.22Å; E782-P784 HydrophobicContact CB-CG 4.48Å; E782-P784 WeakPolarHBondContact O-CD 3.46Å
783	K	71.1	Confident	68	Low	123 Å²	123	84.6 Å²	84.6	54%	0.535	45%	0.45	S	S	.	.			trans	-119.9	78.2	175.2	-67.9	177.8	178.8	-178.4	0	108.9	Y785 A793 F794	K783-Y785 PolarHBondContact O-N 3.21Å; K783-A793 HydrophobicContact CB-CB 3.51Å; K783-A793 HydrophobicContact CD-CB 4.23Å; K783-A793 WeakPolarHBondContact CD-O 3.28Å; K783-A793 HydrophobicContact CG-CB 4.5Å; K783-F794 CarbonylContact C-O 3.52Å; K783-F794 VanDerWaalsContact C-O 3.27Å; K783-F794 WeakPolarHBondContact CA-O 3.44Å
784	P	65.1	Low	68.1	Low	69 Å²	69	82.8 Å²	82.8	45%	0.448	44%	0.439	S	S	.	.			trans	-68.6	-20.4	-169	-18.3	32.2	0	0	0	113.2	I777 E782	I777-P784 HydrophobicContact CD1-CG 4.3Å; E782-P784 HydrophobicContact CB-CG 4.48Å; E782-P784 WeakPolarHBondContact O-CD 3.46Å
785	Y	68.5	Low	67.8	Low	93 Å²	93	82.2 Å²	82.2	37%	0.365	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	96.7	-171.2	-58.2	-77.8	0	0	0	110.5	K783 A793 F794	K783-Y785 PolarHBondContact O-N 3.21Å; Y785-A793 CarbonylContact O-C 3.57Å; Y785-A793 WeakPolarHBondContact O-CA 3.45Å; Y785-F794 WeakPolarHBondContact CB-O 3.46Å; Y785-F794 PolarHBondContact N-O 3.4Å; Y785-F794 VanDerWaalsContact N-O 3.13Å; Y785-F794 PolarHBondContact O-N 3.4Å
786	K	69.3	Low	67.3	Low	152 Å²	152	83.8 Å²	83.8	66%	0.661	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.7	-180	-58.7	-174.9	-178.7	-177.4	0	112	A793	K786-A793 HydrophobicContact CG-CB 3.96Å
787	C	72.4	Confident	67	Low	3 Å²	3	82.9 Å²	82.9	2%	0.02	45%	0.449	C	S	.	.			trans	-83.7	126.6	167.5	-179.2	0	0	0	0	109.2	D789 G791 R792 L800 H807	C787-D789 VanDerWaalsContact C-N 3.3Å; C787-D789 PolarHBondContact O-N 3.32Å; C787-G791 WeakPolarHBondContact O-CA 3.35Å; C787-G791 PolarHBondContact O-N 3.34Å; C787-R792 PolarHBondContact N-O 2.91Å; C787-L800 HydrophobicContact CB-CD1 3.68Å; C787-H807 PolarHBondContact SG-NE2 3.03Å
788	G	61.4	Low	66.9	Low	74 Å²	74	84.5 Å²	84.5	76%	0.763	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.8	-178	0	0	0	0	0	113.6
789	D	59.5	Low	67.2	Low	111 Å²	111	81.9 Å²	81.9	59%	0.594	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-24.3	-169.3	-48.8	-49.7	0	0	0	113	C787 H807	C787-D789 VanDerWaalsContact C-N 3.3Å; C787-D789 PolarHBondContact O-N 3.32Å; D789-H807 IonicContact OD2-CD2 3.27Å
790	Y	58.6	Low	67.3	Low	176 Å²	176	79 Å²	79	69%	0.69	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.9	13.6	-177.9	-62.3	-86.3	0	0	0	114.3	R792 H807	Y790-R792 PolarHBondContact O-N 3.29Å; Y790-H807 AromaticContact CD2-CE1 3.17Å; Y790-H807 WeakPolarHBondContact CD2-CE1 3.46Å; Y790-H807 AromaticContact CD2-ND1 3.92Å; Y790-H807 AromaticContact CD2-NE2 3.71Å; Y790-H807 AromaticContact CE2-CE1 3.3Å; Y790-H807 WeakPolarHBondContact CE2-CE1 3.34Å; Y790-H807 AromaticContact CE2-ND1 3.57Å
791	G	60.8	Low	67.4	Low	59 Å²	59	78.8 Å²	78.8	61%	0.608	44%	0.436	S	S	*	.			trans	66.9	-1.8	175.5	0	0	0	0	0	116.5	C787 A793	C787-G791 WeakPolarHBondContact O-CA 3.35Å; C787-G791 PolarHBondContact O-N 3.34Å; G791-A793 PolarHBondContact O-N 3.14Å
792	R	68.7	Low	67.8	Low	166 Å²	166	80.2 Å²	80.2	63%	0.626	43%	0.434	S	S	*	.			trans	-64.9	128.2	-179.2	-122	-179.9	-171.2	177.1	3.4	111.1	C787 Y790 F794	C787-R792 PolarHBondContact N-O 2.91Å; Y790-R792 PolarHBondContact O-N 3.29Å; R792-F794 HydrophobicContact CB-CE2 3.98Å; R792-F794 HydrophobicContact CB-CZ 4.08Å; R792-F794 HydrophobicContact CG-CZ 4.41Å
793	A	68.4	Low	68.1	Low	29 Å²	29	75.1 Å²	75.1	24%	0.24	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143	-178.1	0	0	0	0	0	111.2	K783 Y785 K786 G791	K783-A793 HydrophobicContact CB-CB 3.51Å; K783-A793 HydrophobicContact CD-CB 4.23Å; K783-A793 WeakPolarHBondContact CD-O 3.28Å; K783-A793 HydrophobicContact CG-CB 4.5Å; Y785-A793 CarbonylContact O-C 3.57Å; Y785-A793 WeakPolarHBondContact O-CA 3.45Å; K786-A793 HydrophobicContact CG-CB 3.96Å; G791-A793 PolarHBondContact O-N 3.14Å
794	F	74.9	Confident	67.9	Low	36 Å²	36	73.9 Å²	73.9	16%	0.158	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.3	-177.9	-57.2	-89.5	0	0	0	110.8	K783 Y785 R792 N799 L800 H803	K783-F794 CarbonylContact C-O 3.52Å; K783-F794 VanDerWaalsContact C-O 3.27Å; K783-F794 WeakPolarHBondContact CA-O 3.44Å; Y785-F794 WeakPolarHBondContact CB-O 3.46Å; Y785-F794 PolarHBondContact N-O 3.4Å; Y785-F794 VanDerWaalsContact N-O 3.13Å; Y785-F794 PolarHBondContact O-N 3.4Å; R792-F794 HydrophobicContact CB-CE2 3.98Å; R792-F794 HydrophobicContact CB-CZ 4.08Å; R792-F794 HydrophobicContact CG-CZ 4.41Å; F794-N799 HydrophobicContact CB-CB 4.11Å; F794-N799 HydrophobicContact CD1-CB 3.86Å; F794-N799 HydrophobicContact CG-CB 4.22Å; F794-L800 HydrophobicContact CB-CB 4.4Å; F794-L800 HydrophobicContact CD2-CB 3.9Å; F794-L800 HydrophobicContact CD2-CD1 3.76Å; F794-L800 HydrophobicContact CD2-CG 4.44Å; F794-L800 HydrophobicContact CE2-CD1 3.89Å; F794-L800 HydrophobicContact CG-CB 4.34Å; F794-H803 HydrophobicContact CE1-CB 4.05Å; F794-H803 HydrophobicContact CE2-CB 3.85Å; F794-H803 AromaticContact CE2-CD2 3.43Å; F794-H803 VanDerWaalsContact CE2-CD2 3.43Å; F794-H803 WeakPolarHBondContact CE2-CD2 3.29Å; F794-H803 AromaticContact CE2-CG 3.65Å; F794-H803 HydrophobicContact CZ-CB 3.44Å; F794-H803 VanDerWaalsContact CZ-CB 3.44Å; F794-H803 AromaticContact CZ-CD2 3.51Å; F794-H803 AromaticContact CZ-CG 3.26Å; F794-H803 AromaticContact CZ-ND1 3.76Å
795	N	64.5	Low	68.1	Low	63 Å²	63	75 Å²	75	34%	0.337	40%	0.403	S	S	.	.	S	Bend	trans	-78	-27.5	175.5	52.7	0.6	0	0	0	112.7	I777 N799	I777-N795 HydrophobicContact CG2-CB 3.93Å; N795-N799 PolarHBondContact OD1-ND2 3.17Å
796	L	67.1	Low	68.1	Low	51 Å²	51	76.7 Å²	76.7	27%	0.267	42%	0.416	S	S	.	.	S	Bend	trans	-120.2	141.8	174.8	-73	106.5	0	0	0	112.9	I774 S798 N799 L800	I774-L796 HydrophobicContact CD1-CD2 4.17Å; I774-L796 HydrophobicContact CG1-CD2 4.5Å; I774-L796 HydrophobicContact CG2-CD1 4.36Å; I774-L796 HydrophobicContact CG2-CD2 3.77Å; I774-L796 HydrophobicContact CG2-CG 4.07Å; L796-S798 VanDerWaalsContact C-N 3.27Å; L796-S798 PolarHBondContact O-N 3.1Å; L796-N799 HydrophobicContact CB-CB 4.45Å; L796-N799 WeakPolarHBondContact O-CB 3.37Å; L796-N799 PolarHBondContact O-N 3.35Å; L796-N799 VanDerWaalsContact O-N 3.12Å; L796-L800 PolarHBondContact O-N 2.9Å
797	S	65.9	Low	68	Low	60 Å²	60	72.7 Å²	72.7	42%	0.42	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-35.1	172.3	168.1	0	0	0	0	113	N799 L800 T801	S797-N799 VanDerWaalsContact C-N 3.3Å; S797-N799 PolarHBondContact O-N 2.85Å; S797-L800 PolarHBondContact O-N 2.67Å; S797-T801 WeakPolarHBondContact O-CB 3.23Å; S797-T801 PolarHBondContact O-N 3Å; S797-T801 PolarHBondContact O-OG1 3.39Å
798	S	69.8	Low	67.4	Low	64 Å²	64	77 Å²	77	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-39.3	175	52	0	0	0	0	112	L796 T801 T802	L796-S798 VanDerWaalsContact C-N 3.27Å; L796-S798 PolarHBondContact O-N 3.1Å; S798-T801 WeakPolarHBondContact O-CB 3.03Å; S798-T801 PolarHBondContact O-N 2.85Å; S798-T802 PolarHBondContact O-N 3.31Å; S798-T802 PolarHBondContact O-OG1 3.05Å; S798-T802 VanDerWaalsContact O-OG1 3.11Å
799	N	75.6	Confident	67.2	Low	61 Å²	61	76.7 Å²	76.7	33%	0.326	42%	0.423	S	S	.	.	H	α-helix	trans	-70.6	-37.5	179.1	-62.7	-8.5	0	0	0	111.4	F794 N795 L796 S797 T801 T802 H803	F794-N799 HydrophobicContact CB-CB 4.11Å; F794-N799 HydrophobicContact CD1-CB 3.86Å; F794-N799 HydrophobicContact CG-CB 4.22Å; N795-N799 PolarHBondContact OD1-ND2 3.17Å; L796-N799 HydrophobicContact CB-CB 4.45Å; L796-N799 WeakPolarHBondContact O-CB 3.37Å; L796-N799 PolarHBondContact O-N 3.35Å; L796-N799 VanDerWaalsContact O-N 3.12Å; S797-N799 VanDerWaalsContact C-N 3.3Å; S797-N799 PolarHBondContact O-N 2.85Å; N799-T801 VanDerWaalsContact C-N 3.31Å; N799-T802 WeakPolarHBondContact CA-OG1 3.26Å; N799-T802 PolarHBondContact O-OG1 3.44Å; N799-H803 WeakPolarHBondContact O-CB 3.2Å; N799-H803 PolarHBondContact O-N 3.12Å
800	L	74.2	Confident	66.9	Low	18 Å²	18	77.9 Å²	77.9	9%	0.094	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-38.1	169.9	177	63.1	0	0	0	111.2	C787 F794 L796 S797 H803 K804	C787-L800 HydrophobicContact CB-CD1 3.68Å; F794-L800 HydrophobicContact CB-CB 4.4Å; F794-L800 HydrophobicContact CD2-CB 3.9Å; F794-L800 HydrophobicContact CD2-CD1 3.76Å; F794-L800 HydrophobicContact CD2-CG 4.44Å; F794-L800 HydrophobicContact CE2-CD1 3.89Å; F794-L800 HydrophobicContact CG-CB 4.34Å; L796-L800 PolarHBondContact O-N 2.9Å; S797-L800 PolarHBondContact O-N 2.67Å; L800-H803 PolarHBondContact O-N 3.25Å; L800-K804 PolarHBondContact O-N 3.03Å; L800-K804 WeakPolarHBondContact O-CG 3.12Å; L800-K804 VanDerWaalsContact O-CG 3.29Å; L800-K804 WeakPolarHBondContact O-CB 3.37Å; L800-K804 HydrophobicContact CG-CG 4.39Å; L800-K804 HydrophobicContact CG-CD 4.25Å; L800-K804 HydrophobicContact CD1-CG 4.14Å; L800-K804 HydrophobicContact CD1-CD 4.37Å
801	T	69.1	Low	66.2	Low	68 Å²	68	79 Å²	79	42%	0.417	43%	0.434	S	S	.	.	H	α-helix	trans	-68.9	-42.7	-179.8	-54.3	0	0	0	0	111.4	S797 S798 N799 K804 K805	S797-T801 WeakPolarHBondContact O-CB 3.23Å; S797-T801 PolarHBondContact O-N 3Å; S797-T801 PolarHBondContact O-OG1 3.39Å; S798-T801 WeakPolarHBondContact O-CB 3.03Å; S798-T801 PolarHBondContact O-N 2.85Å; N799-T801 VanDerWaalsContact C-N 3.31Å; T801-K804 PolarHBondContact O-N 2.94Å; T801-K805 WeakPolarHBondContact O-CG 3.32Å; T801-K805 PolarHBondContact O-N 3.1Å; T801-K805 VanDerWaalsContact O-N 3.17Å
802	T	70.9	Confident	65.3	Low	84 Å²	84	80.4 Å²	80.4	52%	0.515	43%	0.432	S	S	.	.	H	α-helix	trans	-65.6	-40.1	172.1	46.6	0	0	0	0	111.5	S798 N799 K805	S798-T802 PolarHBondContact O-N 3.31Å; S798-T802 PolarHBondContact O-OG1 3.05Å; S798-T802 VanDerWaalsContact O-OG1 3.11Å; N799-T802 WeakPolarHBondContact CA-OG1 3.26Å; N799-T802 PolarHBondContact O-OG1 3.44Å; T802-K805 WeakPolarHBondContact O-CB 3.02Å; T802-K805 PolarHBondContact O-N 2.87Å
803	H	74.4	Confident	64	Low	17 Å²	17	83.3 Å²	83.3	8%	0.079	45%	0.445	C	S	.	.	H	α-helix	trans	-62.2	-42.8	174.1	175.4	66.7	0	0	0	112.6	F794 N799 L800 K805 I806 H807	F794-H803 HydrophobicContact CE1-CB 4.05Å; F794-H803 HydrophobicContact CE2-CB 3.85Å; F794-H803 AromaticContact CE2-CD2 3.43Å; F794-H803 VanDerWaalsContact CE2-CD2 3.43Å; F794-H803 WeakPolarHBondContact CE2-CD2 3.29Å; F794-H803 AromaticContact CE2-CG 3.65Å; F794-H803 HydrophobicContact CZ-CB 3.44Å; F794-H803 VanDerWaalsContact CZ-CB 3.44Å; F794-H803 AromaticContact CZ-CD2 3.51Å; F794-H803 AromaticContact CZ-CG 3.26Å; F794-H803 AromaticContact CZ-ND1 3.76Å; N799-H803 WeakPolarHBondContact O-CB 3.2Å; N799-H803 PolarHBondContact O-N 3.12Å; L800-H803 PolarHBondContact O-N 3.25Å; H803-K805 PolarHBondContact O-N 2.91Å; H803-I806 PolarHBondContact O-N 2.84Å; H803-I806 VanDerWaalsContact O-CB 3.23Å; H803-I806 WeakPolarHBondContact O-CB 3.15Å; H803-H807 AromaticContact CD2-NE2 3.75Å; H803-H807 AromaticContact CE1-CE1 3.9Å; H803-H807 AromaticContact CE1-NE2 3.76Å; H803-H807 AromaticContact NE2-CE1 3.77Å; H803-H807 AromaticContact NE2-NE2 3.23Å; H803-H807 PolarHBondContact NE2-NE2 3.04Å
804	K	66.3	Low	62.6	Low	98 Å²	98	91.3 Å²	91.3	43%	0.426	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-28.3	176.4	-78.6	-176.5	174.8	-166.5	0	113.1	L800 T801 I806 H807 T808	L800-K804 PolarHBondContact O-N 3.03Å; L800-K804 WeakPolarHBondContact O-CG 3.12Å; L800-K804 VanDerWaalsContact O-CG 3.29Å; L800-K804 WeakPolarHBondContact O-CB 3.37Å; L800-K804 HydrophobicContact CG-CG 4.39Å; L800-K804 HydrophobicContact CG-CD 4.25Å; L800-K804 HydrophobicContact CD1-CG 4.14Å; L800-K804 HydrophobicContact CD1-CD 4.37Å; T801-K804 PolarHBondContact O-N 2.94Å; K804-I806 PolarHBondContact O-N 3.5Å; K804-H807 VanDerWaalsContact O-N 3.13Å; K804-H807 PolarHBondContact O-N 2.85Å; K804-H807 WeakPolarHBondContact O-CB 3.34Å; K804-T808 PolarHBondContact O-N 3.47Å
805	K	69.6	Low	60.8	Low	92 Å²	92	94.8 Å²	94.8	40%	0.4	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-20.4	173.8	-71.6	175.2	178.6	-168	0	113.3	T801 T802 H803 H807 T808 G809 E810	T801-K805 WeakPolarHBondContact O-CG 3.32Å; T801-K805 PolarHBondContact O-N 3.1Å; T801-K805 VanDerWaalsContact O-N 3.17Å; T802-K805 WeakPolarHBondContact O-CB 3.02Å; T802-K805 PolarHBondContact O-N 2.87Å; H803-K805 PolarHBondContact O-N 2.91Å; K805-H807 VanDerWaalsContact C-N 3.34Å; K805-T808 PolarHBondContact O-N 3.47Å; K805-T808 PolarHBondContact O-OG1 3.25Å; K805-G809 PolarHBondContact O-N 3.38Å; K805-E810 PolarHBondContact O-N 3.14Å
806	I	68.4	Low	59.8	Low	128 Å²	128	100.1 Å²	100.1	66%	0.656	52%	0.524	S	S	*	.	H	α-helix	trans	-69.1	-36.8	171	-55.2	173.3	0	0	0	109.9	H803 K804 T808	H803-I806 PolarHBondContact O-N 2.84Å; H803-I806 VanDerWaalsContact O-CB 3.23Å; H803-I806 WeakPolarHBondContact O-CB 3.15Å; K804-I806 PolarHBondContact O-N 3.5Å; I806-T808 VanDerWaalsContact C-N 3.28Å; I806-T808 PolarHBondContact O-N 3.49Å
807	H	67.7	Low	58.7	Low	69 Å²	69	108.4 Å²	108.4	32%	0.319	55%	0.554	S	S	.	*	H	α-helix	trans	-68.6	-26.7	175.9	-57.9	-41.2	0	0	0	113	C787 D789 Y790 H803 K804 K805	C787-H807 PolarHBondContact SG-NE2 3.03Å; D789-H807 IonicContact OD2-CD2 3.27Å; Y790-H807 AromaticContact CD2-CE1 3.17Å; Y790-H807 WeakPolarHBondContact CD2-CE1 3.46Å; Y790-H807 AromaticContact CD2-ND1 3.92Å; Y790-H807 AromaticContact CD2-NE2 3.71Å; Y790-H807 AromaticContact CE2-CE1 3.3Å; Y790-H807 WeakPolarHBondContact CE2-CE1 3.34Å; Y790-H807 AromaticContact CE2-ND1 3.57Å; H803-H807 AromaticContact CD2-NE2 3.75Å; H803-H807 AromaticContact CE1-CE1 3.9Å; H803-H807 AromaticContact CE1-NE2 3.76Å; H803-H807 AromaticContact NE2-CE1 3.77Å; H803-H807 AromaticContact NE2-NE2 3.23Å; H803-H807 PolarHBondContact NE2-NE2 3.04Å; K804-H807 VanDerWaalsContact O-N 3.13Å; K804-H807 PolarHBondContact O-N 2.85Å; K804-H807 WeakPolarHBondContact O-CB 3.34Å; K805-H807 VanDerWaalsContact C-N 3.34Å
808	T	60.7	Low	57.4	Low	94 Å²	94	109 Å²	109	58%	0.577	57%	0.57	S	S	*	*	H	α-helix	trans	-104.3	-2.7	-176.2	64.3	0	0	0	0	114.2	K804 K805 I806 E810	K804-T808 PolarHBondContact O-N 3.47Å; K805-T808 PolarHBondContact O-N 3.47Å; K805-T808 PolarHBondContact O-OG1 3.25Å; I806-T808 VanDerWaalsContact C-N 3.28Å; I806-T808 PolarHBondContact O-N 3.49Å; T808-E810 VanDerWaalsContact C-N 3.27Å; T808-E810 PolarHBondContact O-N 2.8Å
809	G	56.1	Low	55.9	Low	67 Å²	67	115.8 Å²	115.8	69%	0.691	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.8	11.3	176.4	0	0	0	0	0	116.4	K805 K811	K805-G809 PolarHBondContact O-N 3.38Å; G809-K811 PolarHBondContact O-N 3.25Å
810	E	53.5	Low	54	Low	136 Å²	136	123.2 Å²	123.2	64%	0.636	64%	0.639	S	S	*	*			trans	-83.5	112.4	-176.1	-71.2	-172.2	161.6	0	0	112.4	K805 T808	K805-E810 PolarHBondContact O-N 3.14Å; T808-E810 VanDerWaalsContact C-N 3.27Å; T808-E810 PolarHBondContact O-N 2.8Å
811	K	43	Very low	53	Low	199 Å²	199	128.5 Å²	128.5	87%	0.865	67%	0.666	S	S	*	*			trans	-71.2	141.2	170.7	-80.6	-176.4	178	177.9	0	111.6	G809	G809-K811 PolarHBondContact O-N 3.25Å
812	P	42.5	Very low	52.1	Low	89 Å²	89	131.7 Å²	131.7	58%	0.578	68%	0.679	S	S	*	*	S	Bend	trans	-80.7	130.8	176.6	32.3	-29.4	0	0	0	110.1
813	Y	41.2	Very low	51.1	Low	226 Å²	226	134.3 Å²	134.3	89%	0.886	69%	0.688	S	S	*	*			trans	84.3	104.4	174.9	-49.7	-79.9	0	0	0	116.6
814	K	40.4	Very low	49.7	Very low	197 Å²	197	141.2 Å²	141.2	86%	0.857	72%	0.724	S	S	*	*			trans	-84.5	114.4	144.6	-97.5	-172.4	174.6	-173.7	0	106.8
815	C	35.3	Very low	48.7	Very low	110 Å²	110	143.9 Å²	143.9	74%	0.743	74%	0.743	S	S	*	*			trans	-82	113.2	165.6	-171.9	0	0	0	0	107.4
816	E	45.1	Very low	47.3	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	77%	0.766	S	S	*	*			trans	-98.3	82.9	164.2	-76.6	-177.9	-179.1	0	0	107.8
817	Y	42.5	Very low	45.8	Very low	225 Å²	225	148.8 Å²	148.8	88%	0.882	77%	0.774	S	S	*	*			trans	-118.8	94.9	152.5	-104.6	-85.6	0	0	0	106.7
818	G	38.6	Very low	44.1	Very low	73 Å²	73	154.9 Å²	154.9	75%	0.753	81%	0.809	S	S	*	*			trans	-98.9	123.7	165.2	0	0	0	0	0	108.7
819	K	39.6	Very low	42.7	Very low	207 Å²	207	160 Å²	160	90%	0.9	83%	0.828	S	S	*	*			trans	-46.4	138.5	175.8	-64.3	170.2	173.3	179.1	0	112.8
820	T	35.2	Very low	41.5	Very low	217 Å²	217	168.5 Å²	168.5	100%	1.331	84%	0.84	S	S	*	*				-158.3	0	106.2	37.8	0	0	0	0	108.5

Retrieved 820 of 820 residues in 1235.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).