A0A087YEE8_POEFO Loading...

Ubiquitin thioesterase OTU

Hydrolase that can remove conjugated ubiquitin from proteins and participates in endoplasmic reticulum-associated degradation (ERAD) for misfolded lumenal proteins. May act by triming the ubiquitin chain on the associated substrate to facilitate their threading through the VCP/p97 pore. Cleaves both polyubiquitin and di-ubiquitin.

AlphaFold DB , UniProt , Accession A0A087YEE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 aa.

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(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	78.6	Confident	86.3	Confident	181 Å²	181	87.3 Å²	87.3	89%	0.892	40%	0.404	S	S	*	.				0	139.2	0	-67.5	-177.7	-150.6	0	0	108.4	L18 T19	M1-L18 CarbonylContact C-O 3.5Å; M1-L18 WeakPolarHBondContact CA-O 3.16Å; M1-T19 HydrophobicContact CG-CG2 4.29Å
2	L	83.9	Confident	86.4	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.01	41%	0.409	C	S	.	.			trans	-79.3	132.1	173.6	-66.2	171.6	0	0	0	109.1	L4 L18 H20 L62 I67	L2-L4 HydrophobicContact CB-CD1 4.21Å; L2-L4 HydrophobicContact CB-CD2 4.31Å; L2-L4 HydrophobicContact CB-CG 3.98Å; L2-L4 HydrophobicContact CD1-CD1 4.34Å; L2-L18 PolarHBondContact N-O 3Å; L2-H20 VanDerWaalsContact CD2-CE1 3.47Å; L2-H20 WeakPolarHBondContact CD2-CE1 3.48Å; L2-L62 HydrophobicContact CD1-CB 4.37Å; L2-L62 HydrophobicContact CD1-CD1 3.96Å; L2-I67 HydrophobicContact CD1-CG2 4.47Å
3	R	87.9	Confident	86.6	Confident	190 Å²	190	84.2 Å²	84.2	72%	0.717	40%	0.402	S	S	*	.			trans	-103	101.1	167	-68	-178.9	178.1	-178.1	-0.3	107.7	S69 G70	R3-S69 PolarHBondContact N-OG 3.2Å; R3-G70 WeakPolarHBondContact O-CA 3.38Å; R3-G70 PolarHBondContact O-N 2.9Å
4	L	91.7	Very high	86.7	Confident	4 Å²	4	86.6 Å²	86.6	2%	0.021	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.8	-175.8	-57.6	175.1	0	0	0	110.2	L2 M15 L18 I67 K68 D71 L73	L2-L4 HydrophobicContact CB-CD1 4.21Å; L2-L4 HydrophobicContact CB-CD2 4.31Å; L2-L4 HydrophobicContact CB-CG 3.98Å; L2-L4 HydrophobicContact CD1-CD1 4.34Å; L4-M15 HydrophobicContact CB-CB 4.15Å; L4-M15 HydrophobicContact CB-SD 4.35Å; L4-M15 HydrophobicContact CD1-SD 4.14Å; L4-M15 PolarHBondContact N-O 3.16Å; L4-M15 PolarHBondContact O-N 2.99Å; L4-L18 HydrophobicContact CD1-CD1 4.41Å; L4-I67 HydrophobicContact CD1-CG2 3.86Å; L4-I67 HydrophobicContact CD2-CG2 3.71Å; L4-I67 HydrophobicContact CG-CG2 4.47Å; L4-K68 WeakPolarHBondContact CD2-O 3.39Å; L4-D71 HydrophobicContact CD2-CB 4.23Å; L4-L73 HydrophobicContact CD1-CD1 4.06Å
5	R	91.3	Very high	86.8	Confident	137 Å²	137	80.9 Å²	80.9	52%	0.517	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.7	169	-176	-178.8	-64.2	174.7	1.1	108.5	S12 H13 D71 T72 L73	R5-S12 VanDerWaalsContact CD-OG 3.3Å; R5-S12 WeakPolarHBondContact CD-OG 3.31Å; R5-S12 WeakPolarHBondContact CG-OG 3.35Å; R5-H13 CarbonylContact C-O 3.5Å; R5-D71 PolarHBondContact N-O 3.01Å; R5-T72 HydrophobicContact CB-CG2 4.32Å; R5-T72 HydrophobicContact CG-CG2 4.27Å; R5-T72 CarbonylContact O-C 3.56Å; R5-T72 VanDerWaalsContact O-CA 3.24Å; R5-T72 WeakPolarHBondContact O-CA 3.23Å; R5-L73 PolarHBondContact O-N 3.34Å
6	C	92.7	Very high	86.6	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.7	170.2	-176.1	0	0	0	0	108.8	S12 H13 M15 T35 L73 V75	C6-S12 CarbonylContact O-C 3.49Å; C6-S12 WeakPolarHBondContact O-CA 3.44Å; C6-S12 PolarHBondContact O-OG 2.94Å; C6-H13 HydrophobicContact CB-CB 4.48Å; C6-H13 PolarHBondContact N-O 3.46Å; C6-H13 PolarHBondContact O-N 3.11Å; C6-M15 HydrophobicContact CB-CE 4.17Å; C6-T35 VanDerWaalsContact SG-CG2 3.52Å; C6-L73 CarbonylContact C-O 3.56Å; C6-L73 WeakPolarHBondContact CA-O 3.09Å; C6-V75 WeakPolarHBondContact SG-CG2 3.45Å
7	K	91.3	Very high	86.2	Confident	114 Å²	114	82.2 Å²	82.2	50%	0.496	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	177.1	-172.3	178.9	-179.1	-177.2	0	109	T72 L73 I74 V75	K7-T72 HydrophobicContact CB-CG2 3.88Å; K7-L73 PolarHBondContact N-O 3.39Å; K7-I74 CarbonylContact O-C 3.53Å; K7-I74 WeakPolarHBondContact O-CA 3.38Å; K7-V75 PolarHBondContact O-N 3.12Å
8	T	91.4	Very high	86.4	Confident	16 Å²	16	78.1 Å²	78.1	10%	0.098	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	177.1	174.9	71.8	0	0	0	0	109.8	N10 G11 T35 I37 V75	T8-N10 PolarHBondContact O-N 3.49Å; T8-N10 PolarHBondContact OG1-N 2.98Å; T8-N10 VanDerWaalsContact OG1-N 3.07Å; T8-G11 PolarHBondContact N-O 3.4Å; T8-G11 PolarHBondContact O-N 3.27Å; T8-G11 PolarHBondContact OG1-N 2.97Å; T8-G11 PolarHBondContact OG1-O 3.32Å; T8-T35 HydrophobicContact CG2-CG2 3.45Å; T8-T35 VanDerWaalsContact CG2-CG2 3.45Å; T8-I37 HydrophobicContact CG2-CD1 4.22Å; T8-V75 HydrophobicContact CG2-CB 4.22Å
9	K	84.2	Confident	86.7	Confident	152 Å²	152	76.6 Å²	76.6	66%	0.661	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.4	168.8	66.8	-176.5	178.9	-160.4	0	113.6	E77	K9-E77 IonicContact NZ-OE2 3.99Å; K9-E77 PolarHBondContact NZ-OE2 2.81Å; K9-E77 VanDerWaalsContact NZ-OE2 3.17Å
10	N	77.5	Confident	86.7	Confident	132 Å²	132	77.5 Å²	77.5	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.4	-173.8	-66.5	-22	0	0	0	113.7	T8	T8-N10 PolarHBondContact O-N 3.49Å; T8-N10 PolarHBondContact OG1-N 2.98Å; T8-N10 VanDerWaalsContact OG1-N 3.07Å
11	G	78.9	Confident	86.8	Confident	32 Å²	32	81.1 Å²	81.1	33%	0.33	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-170.6	-179	0	0	0	0	0	113.7	T8	T8-G11 PolarHBondContact N-O 3.4Å; T8-G11 PolarHBondContact O-N 3.27Å; T8-G11 PolarHBondContact OG1-N 2.97Å; T8-G11 PolarHBondContact OG1-O 3.32Å
12	S	87.7	Confident	87.4	Confident	65 Å²	65	73 Å²	73	46%	0.455	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.8	178	-167.1	0	0	0	0	111.4	R5 C6	R5-S12 VanDerWaalsContact CD-OG 3.3Å; R5-S12 WeakPolarHBondContact CD-OG 3.31Å; R5-S12 WeakPolarHBondContact CG-OG 3.35Å; C6-S12 CarbonylContact O-C 3.49Å; C6-S12 WeakPolarHBondContact O-CA 3.44Å; C6-S12 PolarHBondContact O-OG 2.94Å
13	H	88.6	Confident	87.9	Confident	69 Å²	69	74 Å²	74	32%	0.319	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	-176	-55	-95.7	0	0	0	109.4	R5 C6 L34	R5-H13 CarbonylContact C-O 3.5Å; C6-H13 HydrophobicContact CB-CB 4.48Å; C6-H13 PolarHBondContact N-O 3.46Å; C6-H13 PolarHBondContact O-N 3.11Å; H13-L34 HydrophobicContact CB-CB 4.44Å; H13-L34 PolarHBondContact CE1-O 3.32Å
14	I	87.9	Confident	88.1	Confident	118 Å²	118	65 Å²	65	61%	0.605	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.7	171.2	-59.4	176.8	0	0	0	107.9	Q16	I14-Q16 HydrophobicContact CG2-CG 3.97Å
15	M	88.8	Confident	88.1	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.1	179.4	-179.3	-172	-73.2	0	0	109.5	L4 C6 L18 L27 K30 V31 L34 L73	L4-M15 HydrophobicContact CB-CB 4.15Å; L4-M15 HydrophobicContact CB-SD 4.35Å; L4-M15 HydrophobicContact CD1-SD 4.14Å; L4-M15 PolarHBondContact N-O 3.16Å; L4-M15 PolarHBondContact O-N 2.99Å; C6-M15 HydrophobicContact CB-CE 4.17Å; M15-L18 HydrophobicContact CG-CD1 4.23Å; M15-L18 HydrophobicContact SD-CD1 3.49Å; M15-L18 WeakPolarHBondContact SD-CD1 3.33Å; M15-L27 HydrophobicContact CE-CD1 4.21Å; M15-L27 HydrophobicContact SD-CD1 3.81Å; M15-K30 HydrophobicContact CE-CB 4.43Å; M15-K30 HydrophobicContact CE-CG 4.34Å; M15-K30 HydrophobicContact CG-CG 3.8Å; M15-K30 HydrophobicContact SD-CG 4.26Å; M15-V31 HydrophobicContact CE-CB 4.45Å; M15-V31 HydrophobicContact CE-CG2 3.46Å; M15-V31 VanDerWaalsContact CE-CG2 3.46Å; M15-L34 HydrophobicContact CB-CD1 3.69Å; M15-L34 HydrophobicContact CE-CD1 3.91Å; M15-L34 HydrophobicContact CG-CD1 3.84Å; M15-L73 HydrophobicContact SD-CD1 4.5Å
16	Q	82.9	Confident	88.1	Confident	128 Å²	128	67.6 Å²	67.6	60%	0.598	36%	0.357	S	S	*	.			trans	-126.8	160.9	-179.9	-56	-175.2	4.1	0	0	110.1	I14	I14-Q16 HydrophobicContact CG2-CG 3.97Å
17	G	80.3	Confident	88.2	Confident	55 Å²	55	67.6 Å²	67.6	57%	0.567	36%	0.357	S	S	*	.	S	Bend	trans	97.9	-12.9	174.9	0	0	0	0	0	115.1
18	L	90.5	Very high	88.4	Confident	9 Å²	9	63.6 Å²	63.6	5%	0.047	34%	0.34	C	S	.	.			trans	-80.6	153.4	172.6	-64.7	174.5	0	0	0	111.5	M1 L2 L4 M15 E26 L27 K30 L62	M1-L18 CarbonylContact C-O 3.5Å; M1-L18 WeakPolarHBondContact CA-O 3.16Å; L2-L18 PolarHBondContact N-O 3Å; L4-L18 HydrophobicContact CD1-CD1 4.41Å; M15-L18 HydrophobicContact CG-CD1 4.23Å; M15-L18 HydrophobicContact SD-CD1 3.49Å; M15-L18 WeakPolarHBondContact SD-CD1 3.33Å; L18-E26 HydrophobicContact CD2-CB 4.06Å; L18-L27 HydrophobicContact CD1-CB 4.23Å; L18-L27 HydrophobicContact CD1-CD1 3.55Å; L18-K30 HydrophobicContact CD1-CB 4.49Å; L18-L62 HydrophobicContact CB-CD1 4.17Å; L18-L62 HydrophobicContact CD1-CD1 4.07Å; L18-L62 HydrophobicContact CG-CD1 4.49Å
19	T	91.3	Very high	88.5	Confident	49 Å²	49	65.5 Å²	65.5	30%	0.301	35%	0.353	S	S	.	.			trans	-129.5	171.2	173.9	76	0	0	0	0	110.4	M1 Q21 S22	M1-T19 HydrophobicContact CG-CG2 4.29Å; T19-Q21 PolarHBondContact O-N 3.24Å; T19-Q21 PolarHBondContact OG1-N 3.32Å; T19-Q21 VanDerWaalsContact OG1-N 3.12Å; T19-S22 PolarHBondContact N-OG 3.46Å; T19-S22 WeakPolarHBondContact O-CB 3.35Å; T19-S22 PolarHBondContact O-N 3.06Å; T19-S22 PolarHBondContact OG1-N 2.91Å
20	H	86.3	Confident	88.9	Confident	95 Å²	95	60.7 Å²	60.7	44%	0.44	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.4	171	-70.1	-72.5	0	0	0	113	L2 K63	L2-H20 VanDerWaalsContact CD2-CE1 3.47Å; L2-H20 WeakPolarHBondContact CD2-CE1 3.48Å; H20-K63 HydrophobicContact CB-CB 4.06Å; H20-K63 WeakPolarHBondContact O-CB 3.41Å; H20-K63 PolarHBondContact O-N 2.76Å
21	Q	89.6	Confident	89.7	Confident	154 Å²	154	54.4 Å²	54.4	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.6	175	-64.4	-174.2	41.9	0	0	113.3	T19 H61	T19-Q21 PolarHBondContact O-N 3.24Å; T19-Q21 PolarHBondContact OG1-N 3.32Å; T19-Q21 VanDerWaalsContact OG1-N 3.12Å; Q21-H61 PolarHBondContact O-CD2 2.89Å
22	S	90.7	Very high	90.4	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.063	30%	0.3	C	S	.	.			trans	-66.4	149.9	172.5	-65.8	0	0	0	0	109.7	T19 E26 H61 L62	T19-S22 PolarHBondContact N-OG 3.46Å; T19-S22 WeakPolarHBondContact O-CB 3.35Å; T19-S22 PolarHBondContact O-N 3.06Å; T19-S22 PolarHBondContact OG1-N 2.91Å; S22-E26 WeakPolarHBondContact CA-OE2 3.43Å; S22-E26 WeakPolarHBondContact CB-OE2 3.28Å; S22-H61 CarbonylContact O-C 3.48Å; S22-H61 WeakPolarHBondContact O-CA 3.27Å; S22-L62 WeakPolarHBondContact O-CG 3.21Å; S22-L62 PolarHBondContact O-N 3.23Å
23	C	94.1	Very high	90.5	Very high	25 Å²	25	59.7 Å²	59.7	17%	0.169	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-89.8	167.1	177.1	71.5	0	0	0	0	112.2	Q25 E26 L27 L58 A60	C23-Q25 VanDerWaalsContact C-N 3.25Å; C23-Q25 PolarHBondContact O-N 2.94Å; C23-E26 PolarHBondContact N-OE2 3.38Å; C23-E26 PolarHBondContact O-N 2.9Å; C23-L27 PolarHBondContact O-N 2.92Å; C23-L27 VanDerWaalsContact O-N 3.16Å; C23-L58 WeakPolarHBondContact CB-O 3.46Å; C23-A60 CarbonylContact C-O 3.57Å; C23-A60 WeakPolarHBondContact CA-O 3.38Å
24	V	92.9	Very high	90.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-36.5	176.5	169.1	0	0	0	0	111.5	E26 L27 K28 L55 N57 L58 A60 Y65	V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.99Å; V24-L27 PolarHBondContact O-N 2.88Å; V24-K28 HydrophobicContact CG1-CD 4.35Å; V24-K28 HydrophobicContact CG1-CG 4.37Å; V24-K28 WeakPolarHBondContact O-CG 3.37Å; V24-K28 PolarHBondContact O-N 3.48Å; V24-L55 HydrophobicContact CG1-CB 3.64Å; V24-L55 HydrophobicContact CG1-CD2 3.95Å; V24-L55 HydrophobicContact CG1-CG 4.28Å; V24-L55 HydrophobicContact CG2-CD2 3.88Å; V24-N57 VanDerWaalsContact CB-O 3.32Å; V24-N57 WeakPolarHBondContact CB-O 3.3Å; V24-N57 WeakPolarHBondContact CG2-O 3.44Å; V24-L58 HydrophobicContact CG1-CD2 4.19Å; V24-L58 PolarHBondContact N-O 3Å; V24-A60 HydrophobicContact CG2-CB 4.12Å; V24-A60 WeakPolarHBondContact CG2-O 3.39Å; V24-A60 PolarHBondContact N-O 3.4Å; V24-Y65 HydrophobicContact CG2-CD2 4.2Å; V24-Y65 HydrophobicContact CG2-CE2 3.37Å
25	Q	92	Very high	90.7	Very high	98 Å²	98	54.2 Å²	54.2	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.3	175.4	-166	174.8	-55.9	0	0	112.1	C23 L27 K28 S29 L58	C23-Q25 VanDerWaalsContact C-N 3.25Å; C23-Q25 PolarHBondContact O-N 2.94Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; Q25-K28 PolarHBondContact O-N 3.06Å; Q25-S29 WeakPolarHBondContact O-CB 3.4Å; Q25-S29 PolarHBondContact O-N 3.48Å; Q25-S29 PolarHBondContact O-OG 3.42Å; Q25-L58 HydrophobicContact CB-CB 4.1Å; Q25-L58 PolarHBondContact N-O 2.85Å
26	E	91.3	Very high	90.5	Very high	98 Å²	98	57 Å²	57	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-39.3	177.9	-70.1	175.1	128.7	0	0	111.2	L18 S22 C23 V24 K30	L18-E26 HydrophobicContact CD2-CB 4.06Å; S22-E26 WeakPolarHBondContact CA-OE2 3.43Å; S22-E26 WeakPolarHBondContact CB-OE2 3.28Å; C23-E26 PolarHBondContact N-OE2 3.38Å; C23-E26 PolarHBondContact O-N 2.9Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.99Å; E26-K30 VanDerWaalsContact O-CB 3.32Å; E26-K30 WeakPolarHBondContact O-CB 3.14Å; E26-K30 PolarHBondContact O-N 3.18Å
27	L	94.9	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-50.3	173.5	172.3	64.3	0	0	0	111.7	M15 L18 C23 V24 Q25 S29 K30 V31 L55 L62 I67 L73	M15-L27 HydrophobicContact CE-CD1 4.21Å; M15-L27 HydrophobicContact SD-CD1 3.81Å; L18-L27 HydrophobicContact CD1-CB 4.23Å; L18-L27 HydrophobicContact CD1-CD1 3.55Å; C23-L27 PolarHBondContact O-N 2.92Å; C23-L27 VanDerWaalsContact O-N 3.16Å; V24-L27 PolarHBondContact O-N 2.88Å; Q25-L27 VanDerWaalsContact C-N 3.35Å; L27-S29 VanDerWaalsContact C-N 3.35Å; L27-S29 PolarHBondContact O-N 3.27Å; L27-K30 PolarHBondContact O-N 3.19Å; L27-V31 HydrophobicContact CD1-CG2 4.32Å; L27-V31 WeakPolarHBondContact O-CG2 3.36Å; L27-V31 PolarHBondContact O-N 3.36Å; L27-L55 HydrophobicContact CD2-CD1 4.1Å; L27-L62 HydrophobicContact CB-CD1 4.27Å; L27-L62 HydrophobicContact CB-CD2 3.89Å; L27-L62 HydrophobicContact CD2-CD2 3.72Å; L27-L62 HydrophobicContact CG-CD2 4.39Å; L27-I67 HydrophobicContact CD2-CD1 3.96Å; L27-L73 HydrophobicContact CD1-CD1 3.74Å
28	K	94.6	Very high	91.3	Very high	30 Å²	30	51.5 Å²	51.5	13%	0.13	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-40.9	-179.5	-69.2	-170.4	124	-169.7	0	112.1	V24 Q25 K30 V31 E32 C39 Q42 I44 L58	V24-K28 HydrophobicContact CG1-CD 4.35Å; V24-K28 HydrophobicContact CG1-CG 4.37Å; V24-K28 WeakPolarHBondContact O-CG 3.37Å; V24-K28 PolarHBondContact O-N 3.48Å; Q25-K28 PolarHBondContact O-N 3.06Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.03Å; K28-V31 PolarHBondContact O-N 2.84Å; K28-E32 PolarHBondContact O-N 3.31Å; K28-C39 HydrophobicContact CB-CB 4.26Å; K28-C39 WeakPolarHBondContact CE-O 3.4Å; K28-C39 PolarHBondContact NZ-O 3.28Å; K28-C39 PolarHBondContact O-SG 3.26Å; K28-Q42 VanDerWaalsContact CA-OE1 3.3Å; K28-Q42 PolarHBondContact O-NE2 3.02Å; K28-Q42 PolarHBondContact O-OE1 3.35Å; K28-I44 HydrophobicContact CG-CD1 4.42Å; K28-L58 HydrophobicContact CD-CD2 3.98Å
29	S	92.9	Very high	91.2	Very high	55 Å²	55	52.7 Å²	52.7	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-40.8	174.9	-56.4	0	0	0	0	111	Q25 L27 E32 E33	Q25-S29 WeakPolarHBondContact O-CB 3.4Å; Q25-S29 PolarHBondContact O-N 3.48Å; Q25-S29 PolarHBondContact O-OG 3.42Å; L27-S29 VanDerWaalsContact C-N 3.35Å; L27-S29 PolarHBondContact O-N 3.27Å; S29-E32 PolarHBondContact O-N 3.44Å; S29-E33 WeakPolarHBondContact O-CB 3.33Å; S29-E33 PolarHBondContact O-N 3.46Å
30	K	93.1	Very high	91	Very high	51 Å²	51	54.9 Å²	54.9	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-35.8	177.1	-160.8	73.3	-165.5	161.3	0	112.6	M15 L18 E26 L27 K28 E33 L34	M15-K30 HydrophobicContact CE-CB 4.43Å; M15-K30 HydrophobicContact CE-CG 4.34Å; M15-K30 HydrophobicContact CG-CG 3.8Å; M15-K30 HydrophobicContact SD-CG 4.26Å; L18-K30 HydrophobicContact CD1-CB 4.49Å; E26-K30 VanDerWaalsContact O-CB 3.32Å; E26-K30 WeakPolarHBondContact O-CB 3.14Å; E26-K30 PolarHBondContact O-N 3.18Å; L27-K30 PolarHBondContact O-N 3.19Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.03Å; K30-E33 WeakPolarHBondContact CD-OE2 3.2Å; K30-E33 IonicContact NZ-OE1 2.61Å; K30-E33 PolarHBondContact NZ-OE1 3.39Å; K30-E33 IonicContact NZ-OE2 3.77Å; K30-E33 PolarHBondContact NZ-OE2 2.74Å; K30-L34 HydrophobicContact CG-CD1 4.27Å; K30-L34 WeakPolarHBondContact O-CB 3.18Å; K30-L34 VanDerWaalsContact O-CG 3.26Å; K30-L34 WeakPolarHBondContact O-CG 3.33Å; K30-L34 PolarHBondContact O-N 3.31Å; K30-L34 VanDerWaalsContact O-N 3.07Å
31	V	93.8	Very high	91.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-44.4	172.6	170	0	0	0	0	110.6	M15 L27 K28 L34 T35 Q42 I44 V75	M15-V31 HydrophobicContact CE-CB 4.45Å; M15-V31 HydrophobicContact CE-CG2 3.46Å; M15-V31 VanDerWaalsContact CE-CG2 3.46Å; L27-V31 HydrophobicContact CD1-CG2 4.32Å; L27-V31 WeakPolarHBondContact O-CG2 3.36Å; L27-V31 PolarHBondContact O-N 3.36Å; K28-V31 PolarHBondContact O-N 2.84Å; V31-L34 PolarHBondContact O-N 3.44Å; V31-T35 HydrophobicContact CG1-CG2 4.34Å; V31-T35 WeakPolarHBondContact O-CB 3.2Å; V31-T35 WeakPolarHBondContact O-CG2 3.17Å; V31-T35 PolarHBondContact O-N 3.24Å; V31-T35 PolarHBondContact O-OG1 3.17Å; V31-Q42 VanDerWaalsContact CG1-CD 3.47Å; V31-Q42 HydrophobicContact CG1-CG 3.97Å; V31-I44 HydrophobicContact CB-CD1 4.44Å; V31-I44 HydrophobicContact CG1-CD1 4.5Å; V31-I44 HydrophobicContact CG2-CD1 3.86Å; V31-V75 HydrophobicContact CG1-CB 4.27Å; V31-V75 HydrophobicContact CG1-CG1 3.59Å; V31-V75 HydrophobicContact CG1-CG2 3.89Å; V31-V75 HydrophobicContact CG2-CG2 4.34Å
32	E	93.5	Very high	91.3	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-45.8	177.1	-176.1	166.4	-177.9	0	0	111.2	K28 S29 L34 T35 G36 I37 C39	K28-E32 PolarHBondContact O-N 3.31Å; S29-E32 PolarHBondContact O-N 3.44Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.44Å; E32-T35 PolarHBondContact O-N 2.93Å; E32-G36 VanDerWaalsContact O-CA 3.26Å; E32-G36 WeakPolarHBondContact O-CA 3.27Å; E32-G36 PolarHBondContact O-N 3.05Å; E32-I37 WeakPolarHBondContact CA-O 3.31Å; E32-I37 WeakPolarHBondContact CB-O 3.43Å; E32-C39 PolarHBondContact OE2-N 3.46Å; E32-C39 PolarHBondContact OE2-SG 3.45Å
33	E	91	Very high	91.4	Very high	133 Å²	133	47.6 Å²	47.6	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-56.7	-42.8	175.5	-173.7	-164.7	145.8	0	0	112.4	S29 K30	S29-E33 WeakPolarHBondContact O-CB 3.33Å; S29-E33 PolarHBondContact O-N 3.46Å; K30-E33 WeakPolarHBondContact CD-OE2 3.2Å; K30-E33 IonicContact NZ-OE1 2.61Å; K30-E33 PolarHBondContact NZ-OE1 3.39Å; K30-E33 IonicContact NZ-OE2 3.77Å; K30-E33 PolarHBondContact NZ-OE2 2.74Å
34	L	89.9	Confident	91.3	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-83.1	-28.1	-175.1	-71.6	174	0	0	0	114	H13 M15 K30 V31 E32	H13-L34 HydrophobicContact CB-CB 4.44Å; H13-L34 PolarHBondContact CE1-O 3.32Å; M15-L34 HydrophobicContact CB-CD1 3.69Å; M15-L34 HydrophobicContact CE-CD1 3.91Å; M15-L34 HydrophobicContact CG-CD1 3.84Å; K30-L34 HydrophobicContact CG-CD1 4.27Å; K30-L34 WeakPolarHBondContact O-CB 3.18Å; K30-L34 VanDerWaalsContact O-CG 3.26Å; K30-L34 WeakPolarHBondContact O-CG 3.33Å; K30-L34 PolarHBondContact O-N 3.31Å; K30-L34 VanDerWaalsContact O-N 3.07Å; V31-L34 PolarHBondContact O-N 3.44Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.44Å
35	T	89.3	Confident	91.3	Very high	29 Å²	29	47.8 Å²	47.8	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-119.8	-16.1	-168.2	69.5	0	0	0	0	114.1	C6 T8 V31 E32 I37	C6-T35 VanDerWaalsContact SG-CG2 3.52Å; T8-T35 HydrophobicContact CG2-CG2 3.45Å; T8-T35 VanDerWaalsContact CG2-CG2 3.45Å; V31-T35 HydrophobicContact CG1-CG2 4.34Å; V31-T35 WeakPolarHBondContact O-CB 3.2Å; V31-T35 WeakPolarHBondContact O-CG2 3.17Å; V31-T35 PolarHBondContact O-N 3.24Å; V31-T35 PolarHBondContact O-OG1 3.17Å; E32-T35 PolarHBondContact O-N 2.93Å; T35-I37 PolarHBondContact O-N 2.91Å; T35-I37 PolarHBondContact OG1-N 3.36Å
36	G	86.4	Confident	91.2	Very high	60 Å²	60	43.6 Å²	43.6	62%	0.619	24%	0.241	S	C	*	.			trans	71.8	5.6	-172.7	0	0	0	0	0	114.6	E32 P38	E32-G36 VanDerWaalsContact O-CA 3.26Å; E32-G36 WeakPolarHBondContact O-CA 3.27Å; E32-G36 PolarHBondContact O-N 3.05Å; G36-P38 WeakPolarHBondContact O-CD 3.38Å
37	I	89.1	Confident	90.5	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	24%	0.243	C	C	.	.			trans	-83.3	118.1	177.5	-58.1	172.6	0	0	0	108.5	T8 E32 T35 V41 Q42 V75 E77	T8-I37 HydrophobicContact CG2-CD1 4.22Å; E32-I37 WeakPolarHBondContact CA-O 3.31Å; E32-I37 WeakPolarHBondContact CB-O 3.43Å; T35-I37 PolarHBondContact O-N 2.91Å; T35-I37 PolarHBondContact OG1-N 3.36Å; I37-V41 HydrophobicContact CG2-CG2 4.01Å; I37-Q42 HydrophobicContact CB-CG 4.16Å; I37-Q42 HydrophobicContact CG2-CG 3.67Å; I37-Q42 PolarHBondContact O-NE2 2.48Å; I37-V75 HydrophobicContact CD1-CG1 3.87Å; I37-E77 HydrophobicContact CG2-CB 4.17Å; I37-E77 HydrophobicContact CG2-CG 4.32Å
38	P	89.6	Confident	88.6	Confident	50 Å²	50	51.4 Å²	51.4	33%	0.325	28%	0.283	S	S	.	.			trans	-60.6	141.8	-177	-25	34.6	0	0	0	113.7	G36 D40 V41 Q42	G36-P38 WeakPolarHBondContact O-CD 3.38Å; P38-D40 WeakPolarHBondContact CB-OD1 3.45Å; P38-D40 PolarHBondContact O-N 2.87Å; P38-V41 HydrophobicContact CB-CG2 4.07Å; P38-V41 HydrophobicContact CG-CG2 4.21Å; P38-V41 WeakPolarHBondContact O-CG2 3.44Å; P38-V41 PolarHBondContact O-N 3.17Å; P38-Q42 WeakPolarHBondContact O-CG 3.4Å; P38-Q42 PolarHBondContact O-N 3.43Å
39	C	88.6	Confident	87.4	Confident	34 Å²	34	53.9 Å²	53.9	23%	0.23	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-30.5	-177.9	-77.4	0	0	0	0	115	K28 E32	K28-C39 HydrophobicContact CB-CB 4.26Å; K28-C39 WeakPolarHBondContact CE-O 3.4Å; K28-C39 PolarHBondContact NZ-O 3.28Å; K28-C39 PolarHBondContact O-SG 3.26Å; E32-C39 PolarHBondContact OE2-N 3.46Å; E32-C39 PolarHBondContact OE2-SG 3.45Å
40	D	86.6	Confident	86.8	Confident	96 Å²	96	53.6 Å²	53.6	51%	0.513	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.4	-173.3	77.8	-53.3	0	0	0	114.4	P38 K81	P38-D40 WeakPolarHBondContact CB-OD1 3.45Å; P38-D40 PolarHBondContact O-N 2.87Å; D40-K81 IonicContact OD2-NZ 2.77Å; D40-K81 PolarHBondContact OD2-NZ 3.03Å
41	V	90.6	Very high	86.4	Confident	32 Å²	32	54.7 Å²	54.7	19%	0.194	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	7.6	176.2	-60.7	0	0	0	0	113	I37 P38 K43 E77 E78	I37-V41 HydrophobicContact CG2-CG2 4.01Å; P38-V41 HydrophobicContact CB-CG2 4.07Å; P38-V41 HydrophobicContact CG-CG2 4.21Å; P38-V41 WeakPolarHBondContact O-CG2 3.44Å; P38-V41 PolarHBondContact O-N 3.17Å; V41-K43 PolarHBondContact O-N 3.16Å; V41-E77 HydrophobicContact CG2-CG 4.17Å; V41-E77 WeakPolarHBondContact O-CA 3.2Å; V41-E78 PolarHBondContact O-N 3.45Å
42	Q	92.3	Very high	86.1	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.065	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.1	175.5	-74.7	169.1	18.5	0	0	111.8	K28 V31 I37 P38 I44 V75	K28-Q42 VanDerWaalsContact CA-OE1 3.3Å; K28-Q42 PolarHBondContact O-NE2 3.02Å; K28-Q42 PolarHBondContact O-OE1 3.35Å; V31-Q42 VanDerWaalsContact CG1-CD 3.47Å; V31-Q42 HydrophobicContact CG1-CG 3.97Å; I37-Q42 HydrophobicContact CB-CG 4.16Å; I37-Q42 HydrophobicContact CG2-CG 3.67Å; I37-Q42 PolarHBondContact O-NE2 2.48Å; P38-Q42 WeakPolarHBondContact O-CG 3.4Å; P38-Q42 PolarHBondContact O-N 3.43Å; Q42-I44 HydrophobicContact CB-CD1 4.49Å; Q42-I44 HydrophobicContact CB-CG1 4.3Å; Q42-V75 HydrophobicContact CG-CG1 4.36Å
43	K	93.1	Very high	85.8	Confident	59 Å²	59	55.5 Å²	55.5	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.5	162.8	-179.6	-173.5	-176.5	-172.7	0	108.9	V41 V75 E76 E78	V41-K43 PolarHBondContact O-N 3.16Å; K43-V75 CarbonylContact O-C 3.6Å; K43-V75 WeakPolarHBondContact O-CA 3.31Å; K43-E76 HydrophobicContact CB-CB 4.29Å; K43-E76 HydrophobicContact CD-CB 4.47Å; K43-E76 PolarHBondContact N-O 2.75Å; K43-E76 IonicContact NZ-OE2 3.67Å; K43-E76 PolarHBondContact O-N 3.45Å; K43-E78 HydrophobicContact CB-CG 3.96Å; K43-E78 HydrophobicContact CD-CG 4.25Å; K43-E78 WeakPolarHBondContact CD-OE1 3.45Å
44	I	92.3	Very high	85.6	Confident	2 Å²	2	53 Å²	53	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.1	-174.7	-56.1	176.8	0	0	0	108.9	K28 V31 Q42 L53 L55 L73 I74 V75	K28-I44 HydrophobicContact CG-CD1 4.42Å; V31-I44 HydrophobicContact CB-CD1 4.44Å; V31-I44 HydrophobicContact CG1-CD1 4.5Å; V31-I44 HydrophobicContact CG2-CD1 3.86Å; Q42-I44 HydrophobicContact CB-CD1 4.49Å; Q42-I44 HydrophobicContact CB-CG1 4.3Å; I44-L53 HydrophobicContact CG2-CD1 4.26Å; I44-L53 PolarHBondContact O-N 2.86Å; I44-L55 HydrophobicContact CB-CD1 3.79Å; I44-L55 HydrophobicContact CD1-CD1 3.6Å; I44-L55 HydrophobicContact CG1-CD1 4.08Å; I44-L55 HydrophobicContact CG2-CD1 4.31Å; I44-L73 HydrophobicContact CG2-CB 4.14Å; I44-L73 HydrophobicContact CG2-CD1 4.31Å; I44-L73 HydrophobicContact CG2-CD2 4.34Å; I44-I74 CarbonylContact C-O 3.47Å; I44-I74 WeakPolarHBondContact CA-O 2.97Å; I44-V75 HydrophobicContact CG1-CG1 4.28Å; I44-V75 HydrophobicContact CG1-CG2 4.11Å; I44-V75 HydrophobicContact CG2-CG2 4.38Å
45	M	92.3	Very high	85.4	Confident	27 Å²	27	51.4 Å²	51.4	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150	-179.2	-53.8	171.2	68.3	0	0	110.7	P50 S51 L73 I74	M45-P50 HydrophobicContact CB-CB 4.25Å; M45-P50 HydrophobicContact CE-CB 3.58Å; M45-P50 WeakPolarHBondContact CE-O 3.47Å; M45-S51 CarbonylContact C-O 3.57Å; M45-S51 WeakPolarHBondContact CA-O 3.42Å; M45-S51 WeakPolarHBondContact CB-O 3.43Å; M45-L73 CarbonylContact O-C 3.57Å; M45-L73 WeakPolarHBondContact O-CA 3.33Å; M45-I74 HydrophobicContact CB-CB 4.28Å; M45-I74 PolarHBondContact N-O 3.38Å; M45-I74 PolarHBondContact O-N 2.86Å
46	V	89.8	Confident	85.1	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.2	179.1	70.6	0	0	0	0	111.1	S51 L53 P66 D71 L73	V46-S51 PolarHBondContact N-O 3.14Å; V46-S51 PolarHBondContact O-N 3.43Å; V46-L53 HydrophobicContact CB-CD1 4.23Å; V46-L53 HydrophobicContact CB-CG 4.48Å; V46-L53 HydrophobicContact CG1-CD1 3.96Å; V46-L53 HydrophobicContact CG1-CD2 3.63Å; V46-L53 HydrophobicContact CG1-CG 3.85Å; V46-P66 HydrophobicContact CG1-CG 4.29Å; V46-D71 HydrophobicContact CG2-CB 4.09Å; V46-L73 HydrophobicContact CB-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CD2 3.75Å
47	G	77	Confident	85.2	Confident	47 Å²	47	61.3 Å²	61.3	49%	0.485	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	179.2	176.6	0	0	0	0	0	114.7	P50	G47-P50 WeakPolarHBondContact O-CA 3.31Å
48	Y	55.2	Low	85	Confident	215 Å²	215	63.9 Å²	63.9	84%	0.843	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	120.1	170.9	-171.1	-95.8	0	0	0	109.5
49	P	70	Confident	85	Confident	82 Å²	82	67.1 Å²	67.1	53%	0.532	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	cis	-64.7	146.1	-2	27.1	-33.6	0	0	0	112.6	S51	P49-S51 PolarHBondContact O-N 2.87Å; P49-S51 PolarHBondContact O-OG 3.36Å
50	P	80	Confident	85	Confident	49 Å²	49	66.3 Å²	66.3	32%	0.318	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	126.4	-176.5	-27.4	37.1	0	0	0	113	M45 G47 I74	M45-P50 HydrophobicContact CB-CB 4.25Å; M45-P50 HydrophobicContact CE-CB 3.58Å; M45-P50 WeakPolarHBondContact CE-O 3.47Å; G47-P50 WeakPolarHBondContact O-CA 3.31Å; P50-I74 HydrophobicContact CB-CD1 3.86Å; P50-I74 HydrophobicContact CG-CD1 3.53Å
51	S	83.2	Confident	85.3	Confident	74 Å²	74	65.4 Å²	65.4	52%	0.517	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.3	179	-62.4	0	0	0	0	111.2	M45 V46 P49	M45-S51 CarbonylContact C-O 3.57Å; M45-S51 WeakPolarHBondContact CA-O 3.42Å; M45-S51 WeakPolarHBondContact CB-O 3.43Å; V46-S51 PolarHBondContact N-O 3.14Å; V46-S51 PolarHBondContact O-N 3.43Å; P49-S51 PolarHBondContact O-N 2.87Å; P49-S51 PolarHBondContact O-OG 3.36Å
52	S	87.4	Confident	85.1	Confident	73 Å²	73	63.9 Å²	63.9	51%	0.51	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.8	-179.2	-165.4	0	0	0	0	111.7
53	L	88.6	Confident	84.9	Confident	19 Å²	19	69.2 Å²	69.2	10%	0.099	36%	0.36	C	S	.	.			trans	-86.9	131.7	174.2	-67.6	176.3	0	0	0	110.5	I44 V46 L55 Y65 P66 I67 L73	I44-L53 HydrophobicContact CG2-CD1 4.26Å; I44-L53 PolarHBondContact O-N 2.86Å; V46-L53 HydrophobicContact CB-CD1 4.23Å; V46-L53 HydrophobicContact CB-CG 4.48Å; V46-L53 HydrophobicContact CG1-CD1 3.96Å; V46-L53 HydrophobicContact CG1-CD2 3.63Å; V46-L53 HydrophobicContact CG1-CG 3.85Å; L53-L55 HydrophobicContact CB-CD1 4.1Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 3.77Å; L53-L55 PolarHBondContact O-N 2.76Å; L53-L55 VanDerWaalsContact O-N 3.13Å; L53-Y65 HydrophobicContact CD2-CD1 4.37Å; L53-P66 HydrophobicContact CD2-CG 3.85Å; L53-I67 HydrophobicContact CD1-CD1 3.8Å; L53-I67 HydrophobicContact CD1-CG1 3.93Å; L53-L73 HydrophobicContact CD1-CD2 4.46Å
54	D	85.4	Confident	84.7	Confident	81 Å²	81	71.4 Å²	71.4	43%	0.433	38%	0.375	S	S	.	.			trans	-80.4	90.3	171.8	-176.5	7	0	0	0	111.2	R56 Y65	D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 WeakPolarHBondContact OD1-CD 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.27Å; D54-R56 IonicContact OD1-CZ 3.65Å; D54-R56 PolarHBondContact OD1-N 3.45Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.37Å; D54-R56 IonicContact OD1-NH2 3.73Å; D54-R56 IonicContact OD2-CZ 3.37Å; D54-R56 IonicContact OD2-NE 3.26Å; D54-R56 PolarHBondContact OD2-NE 2.7Å; D54-R56 IonicContact OD2-NH2 2.68Å; D54-R56 PolarHBondContact OD2-NH2 3.08Å; D54-Y65 WeakPolarHBondContact O-CE1 3.43Å; D54-Y65 PolarHBondContact O-OH 3.09Å
55	L	87.1	Confident	84.6	Confident	10 Å²	10	73.3 Å²	73.3	5%	0.052	38%	0.382	C	S	.	.			trans	-102.1	35.2	-175.9	-60.9	178.7	0	0	0	112.5	V24 L27 I44 L53 Y65	V24-L55 HydrophobicContact CG1-CB 3.64Å; V24-L55 HydrophobicContact CG1-CD2 3.95Å; V24-L55 HydrophobicContact CG1-CG 4.28Å; V24-L55 HydrophobicContact CG2-CD2 3.88Å; L27-L55 HydrophobicContact CD2-CD1 4.1Å; I44-L55 HydrophobicContact CB-CD1 3.79Å; I44-L55 HydrophobicContact CD1-CD1 3.6Å; I44-L55 HydrophobicContact CG1-CD1 4.08Å; I44-L55 HydrophobicContact CG2-CD1 4.31Å; L53-L55 HydrophobicContact CB-CD1 4.1Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 3.77Å; L53-L55 PolarHBondContact O-N 2.76Å; L53-L55 VanDerWaalsContact O-N 3.13Å; L55-Y65 HydrophobicContact CD2-CD1 3.99Å; L55-Y65 HydrophobicContact CD2-CE1 3.72Å; L55-Y65 HydrophobicContact CD2-CE2 4.35Å; L55-Y65 HydrophobicContact CD2-CG 4.42Å
56	R	82.9	Confident	84.3	Confident	203 Å²	203	76.2 Å²	76.2	77%	0.766	40%	0.403	S	S	*	.			trans	-74.7	-34.8	178.7	-70.9	178.6	-65.4	173.7	0.8	113.3	D54 L58	D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 WeakPolarHBondContact OD1-CD 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.27Å; D54-R56 IonicContact OD1-CZ 3.65Å; D54-R56 PolarHBondContact OD1-N 3.45Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.37Å; D54-R56 IonicContact OD1-NH2 3.73Å; D54-R56 IonicContact OD2-CZ 3.37Å; D54-R56 IonicContact OD2-NE 3.26Å; D54-R56 PolarHBondContact OD2-NE 2.7Å; D54-R56 IonicContact OD2-NH2 2.68Å; D54-R56 PolarHBondContact OD2-NH2 3.08Å; R56-L58 PolarHBondContact O-N 3.48Å
57	N	87.8	Confident	84.2	Confident	93 Å²	93	75.9 Å²	75.9	50%	0.497	40%	0.401	S	S	.	.			trans	-84.4	101.4	175.8	-175.5	-2.6	0	0	0	110.1	V24 D59 A60	V24-N57 VanDerWaalsContact CB-O 3.32Å; V24-N57 WeakPolarHBondContact CB-O 3.3Å; V24-N57 WeakPolarHBondContact CG2-O 3.44Å; N57-D59 VanDerWaalsContact C-N 3.27Å; N57-D59 PolarHBondContact O-N 3.16Å; N57-D59 PolarHBondContact OD1-N 2.93Å; N57-A60 HydrophobicContact CB-CB 4.12Å; N57-A60 PolarHBondContact O-N 3.35Å
58	L	84.8	Confident	84.7	Confident	71 Å²	71	80.6 Å²	80.6	37%	0.372	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.3	-174.7	-63.3	-175.7	0	0	0	113.7	C23 V24 Q25 K28 R56	C23-L58 WeakPolarHBondContact CB-O 3.46Å; V24-L58 HydrophobicContact CG1-CD2 4.19Å; V24-L58 PolarHBondContact N-O 3Å; Q25-L58 HydrophobicContact CB-CB 4.1Å; Q25-L58 PolarHBondContact N-O 2.85Å; K28-L58 HydrophobicContact CD-CD2 3.98Å; R56-L58 PolarHBondContact O-N 3.48Å
59	D	89.3	Confident	86.2	Confident	119 Å²	119	73.5 Å²	73.5	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.6	-178.3	-60.5	-46.5	0	0	0	113.3	N57	N57-D59 VanDerWaalsContact C-N 3.27Å; N57-D59 PolarHBondContact O-N 3.16Å; N57-D59 PolarHBondContact OD1-N 2.93Å
60	A	89.3	Confident	86.8	Confident	16 Å²	16	72.4 Å²	72.4	13%	0.132	39%	0.394	C	S	.	.	S	Bend	trans	-64.5	148.2	176.4	0	0	0	0	0	111.1	C23 V24 N57 Y65	C23-A60 CarbonylContact C-O 3.57Å; C23-A60 WeakPolarHBondContact CA-O 3.38Å; V24-A60 HydrophobicContact CG2-CB 4.12Å; V24-A60 WeakPolarHBondContact CG2-O 3.39Å; V24-A60 PolarHBondContact N-O 3.4Å; N57-A60 HydrophobicContact CB-CB 4.12Å; N57-A60 PolarHBondContact O-N 3.35Å; A60-Y65 HydrophobicContact CB-CE2 3.82Å
61	H	91.9	Very high	87.2	Confident	77 Å²	77	72.1 Å²	72.1	36%	0.356	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-92.8	147.4	-175.4	-66.7	68.7	0	0	0	111.1	Q21 S22 K63 D64 Y65	Q21-H61 PolarHBondContact O-CD2 2.89Å; S22-H61 CarbonylContact O-C 3.48Å; S22-H61 WeakPolarHBondContact O-CA 3.27Å; H61-K63 HydrophobicContact CB-CD 4.47Å; H61-K63 HydrophobicContact CB-CG 4.09Å; H61-K63 PolarHBondContact O-N 2.78Å; H61-K63 VanDerWaalsContact O-N 3.1Å; H61-D64 PolarHBondContact N-OD2 3.16Å; H61-D64 WeakPolarHBondContact O-CB 3.4Å; H61-D64 PolarHBondContact O-N 2.97Å; H61-Y65 WeakPolarHBondContact O-CD2 3.08Å
62	L	88.2	Confident	87.6	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.6	-21.7	-177.3	-62.6	-172.9	0	0	0	114.1	L2 L18 S22 L27 D64 Y65 I67	L2-L62 HydrophobicContact CD1-CB 4.37Å; L2-L62 HydrophobicContact CD1-CD1 3.96Å; L18-L62 HydrophobicContact CB-CD1 4.17Å; L18-L62 HydrophobicContact CD1-CD1 4.07Å; L18-L62 HydrophobicContact CG-CD1 4.49Å; S22-L62 WeakPolarHBondContact O-CG 3.21Å; S22-L62 PolarHBondContact O-N 3.23Å; L27-L62 HydrophobicContact CB-CD1 4.27Å; L27-L62 HydrophobicContact CB-CD2 3.89Å; L27-L62 HydrophobicContact CD2-CD2 3.72Å; L27-L62 HydrophobicContact CG-CD2 4.39Å; L62-D64 PolarHBondContact O-N 3.4Å; L62-Y65 PolarHBondContact O-N 3.48Å; L62-I67 HydrophobicContact CD2-CD1 4.23Å
63	K	87.6	Confident	87.9	Confident	127 Å²	127	67.4 Å²	67.4	55%	0.552	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.1	-25.3	172.5	72.7	-175.1	-177.5	175.4	0	113.5	H20 H61 Y65	H20-K63 HydrophobicContact CB-CB 4.06Å; H20-K63 WeakPolarHBondContact O-CB 3.41Å; H20-K63 PolarHBondContact O-N 2.76Å; H61-K63 HydrophobicContact CB-CD 4.47Å; H61-K63 HydrophobicContact CB-CG 4.09Å; H61-K63 PolarHBondContact O-N 2.78Å; H61-K63 VanDerWaalsContact O-N 3.1Å; K63-Y65 PolarHBondContact O-N 3.41Å
64	D	88.4	Confident	88.1	Confident	105 Å²	105	68.8 Å²	68.8	56%	0.561	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-85	-2.9	-176.9	-52.9	-44.1	0	0	0	111.1	H61 L62	H61-D64 PolarHBondContact N-OD2 3.16Å; H61-D64 WeakPolarHBondContact O-CB 3.4Å; H61-D64 PolarHBondContact O-N 2.97Å; L62-D64 PolarHBondContact O-N 3.4Å
65	Y	89.8	Confident	88.6	Confident	42 Å²	42	65 Å²	65	17%	0.165	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	154.9	177.3	-68.1	-85.2	0	0	0	110.7	V24 L53 D54 L55 A60 H61 L62 K63 I67	V24-Y65 HydrophobicContact CG2-CD2 4.2Å; V24-Y65 HydrophobicContact CG2-CE2 3.37Å; L53-Y65 HydrophobicContact CD2-CD1 4.37Å; D54-Y65 WeakPolarHBondContact O-CE1 3.43Å; D54-Y65 PolarHBondContact O-OH 3.09Å; L55-Y65 HydrophobicContact CD2-CD1 3.99Å; L55-Y65 HydrophobicContact CD2-CE1 3.72Å; L55-Y65 HydrophobicContact CD2-CE2 4.35Å; L55-Y65 HydrophobicContact CD2-CG 4.42Å; A60-Y65 HydrophobicContact CB-CE2 3.82Å; H61-Y65 WeakPolarHBondContact O-CD2 3.08Å; L62-Y65 PolarHBondContact O-N 3.48Å; K63-Y65 PolarHBondContact O-N 3.41Å; Y65-I67 PolarHBondContact O-N 2.91Å
66	P	86.8	Confident	88.8	Confident	87 Å²	87	69 Å²	69	57%	0.565	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	53	178.1	34	-37.1	0	0	0	111.6	V46 L53	V46-P66 HydrophobicContact CG1-CG 4.29Å; L53-P66 HydrophobicContact CD2-CG 3.85Å
67	I	87.8	Confident	89.2	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	34%	0.341	C	S	.	.			trans	-110.7	116.2	178.6	-57.4	172.8	0	0	0	108.5	L2 L4 L27 L53 L62 Y65 L73	L2-I67 HydrophobicContact CD1-CG2 4.47Å; L4-I67 HydrophobicContact CD1-CG2 3.86Å; L4-I67 HydrophobicContact CD2-CG2 3.71Å; L4-I67 HydrophobicContact CG-CG2 4.47Å; L27-I67 HydrophobicContact CD2-CD1 3.96Å; L53-I67 HydrophobicContact CD1-CD1 3.8Å; L53-I67 HydrophobicContact CD1-CG1 3.93Å; L62-I67 HydrophobicContact CD2-CD1 4.23Å; Y65-I67 PolarHBondContact O-N 2.91Å; I67-L73 HydrophobicContact CG1-CD2 4.42Å
68	K	87	Confident	89.1	Confident	145 Å²	145	64.1 Å²	64.1	63%	0.63	34%	0.343	S	S	*	.			trans	-112.4	154.5	177.8	-62.3	178.3	-176.1	175.3	0	110.6	L4 G70 D71	L4-K68 WeakPolarHBondContact CD2-O 3.39Å; K68-G70 PolarHBondContact O-N 3Å; K68-D71 PolarHBondContact N-OD2 2.99Å; K68-D71 VanDerWaalsContact O-CB 3.27Å; K68-D71 WeakPolarHBondContact O-CB 3.35Å; K68-D71 VanDerWaalsContact O-CG 3.24Å; K68-D71 PolarHBondContact O-N 3Å; K68-D71 VanDerWaalsContact O-N 3.14Å
69	S	86.8	Confident	88.1	Confident	66 Å²	66	68.2 Å²	68.2	46%	0.462	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	129.9	172.6	-173.2	0	0	0	0	109.6	R3	R3-S69 PolarHBondContact N-OG 3.2Å
70	G	82	Confident	86.1	Confident	60 Å²	60	70 Å²	70	62%	0.619	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.6	-16.3	-172.7	0	0	0	0	0	113.5	R3 K68	R3-G70 WeakPolarHBondContact O-CA 3.38Å; R3-G70 PolarHBondContact O-N 2.9Å; K68-G70 PolarHBondContact O-N 3Å
71	D	88.3	Confident	84.1	Confident	43 Å²	43	76.9 Å²	76.9	23%	0.23	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68.2	151	-175.5	-71.9	-6.5	0	0	0	113.1	L4 R5 V46 K68	L4-D71 HydrophobicContact CD2-CB 4.23Å; R5-D71 PolarHBondContact N-O 3.01Å; V46-D71 HydrophobicContact CG2-CB 4.09Å; K68-D71 PolarHBondContact N-OD2 2.99Å; K68-D71 VanDerWaalsContact O-CB 3.27Å; K68-D71 WeakPolarHBondContact O-CB 3.35Å; K68-D71 VanDerWaalsContact O-CG 3.24Å; K68-D71 PolarHBondContact O-N 3Å; K68-D71 VanDerWaalsContact O-N 3.14Å
72	T	91.8	Very high	81.5	Confident	48 Å²	48	78.5 Å²	78.5	29%	0.294	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117	168.6	-58.3	0	0	0	0	109.9	R5 K7	R5-T72 HydrophobicContact CB-CG2 4.32Å; R5-T72 HydrophobicContact CG-CG2 4.27Å; R5-T72 CarbonylContact O-C 3.56Å; R5-T72 VanDerWaalsContact O-CA 3.24Å; R5-T72 WeakPolarHBondContact O-CA 3.23Å; K7-T72 HydrophobicContact CB-CG2 3.88Å
73	L	93.9	Very high	79.3	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.3	169	-58.8	-176.4	0	0	0	109.4	L4 R5 C6 K7 M15 L27 I44 M45 V46 L53 I67	L4-L73 HydrophobicContact CD1-CD1 4.06Å; R5-L73 PolarHBondContact O-N 3.34Å; C6-L73 CarbonylContact C-O 3.56Å; C6-L73 WeakPolarHBondContact CA-O 3.09Å; K7-L73 PolarHBondContact N-O 3.39Å; M15-L73 HydrophobicContact SD-CD1 4.5Å; L27-L73 HydrophobicContact CD1-CD1 3.74Å; I44-L73 HydrophobicContact CG2-CB 4.14Å; I44-L73 HydrophobicContact CG2-CD1 4.31Å; I44-L73 HydrophobicContact CG2-CD2 4.34Å; M45-L73 CarbonylContact O-C 3.57Å; M45-L73 WeakPolarHBondContact O-CA 3.33Å; V46-L73 HydrophobicContact CB-CD2 3.85Å; V46-L73 HydrophobicContact CG2-CD2 3.75Å; L53-L73 HydrophobicContact CD1-CD2 4.46Å; I67-L73 HydrophobicContact CG1-CD2 4.42Å
74	I	94.1	Very high	76.7	Confident	47 Å²	47	88.1 Å²	88.1	24%	0.241	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.3	174.1	-56.6	177.9	0	0	0	107.7	K7 I44 M45 P50	K7-I74 CarbonylContact O-C 3.53Å; K7-I74 WeakPolarHBondContact O-CA 3.38Å; I44-I74 CarbonylContact C-O 3.47Å; I44-I74 WeakPolarHBondContact CA-O 2.97Å; M45-I74 HydrophobicContact CB-CB 4.28Å; M45-I74 PolarHBondContact N-O 3.38Å; M45-I74 PolarHBondContact O-N 2.86Å; P50-I74 HydrophobicContact CB-CD1 3.86Å; P50-I74 HydrophobicContact CG-CD1 3.53Å
75	V	94.6	Very high	74.2	Confident	3 Å²	3	91.6 Å²	91.6	2%	0.018	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.2	-175.9	-174.1	0	0	0	0	110.4	C6 K7 T8 V31 I37 Q42 K43 I44	C6-V75 WeakPolarHBondContact SG-CG2 3.45Å; K7-V75 PolarHBondContact O-N 3.12Å; T8-V75 HydrophobicContact CG2-CB 4.22Å; V31-V75 HydrophobicContact CG1-CB 4.27Å; V31-V75 HydrophobicContact CG1-CG1 3.59Å; V31-V75 HydrophobicContact CG1-CG2 3.89Å; V31-V75 HydrophobicContact CG2-CG2 4.34Å; I37-V75 HydrophobicContact CD1-CG1 3.87Å; Q42-V75 HydrophobicContact CG-CG1 4.36Å; K43-V75 CarbonylContact O-C 3.6Å; K43-V75 WeakPolarHBondContact O-CA 3.31Å; I44-V75 HydrophobicContact CG1-CG1 4.28Å; I44-V75 HydrophobicContact CG1-CG2 4.11Å; I44-V75 HydrophobicContact CG2-CG2 4.38Å
76	E	92.6	Very high	71.5	Confident	92 Å²	92	97.3 Å²	97.3	43%	0.43	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157	176	-62.2	-176.7	162.3	0	0	110.9	K43	K43-E76 HydrophobicContact CB-CB 4.29Å; K43-E76 HydrophobicContact CD-CB 4.47Å; K43-E76 PolarHBondContact N-O 2.75Å; K43-E76 IonicContact NZ-OE2 3.67Å; K43-E76 PolarHBondContact O-N 3.45Å
77	E	91.5	Very high	69.1	Low	81 Å²	81	101.5 Å²	101.5	38%	0.379	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.5	178.3	-178.7	-168	178.5	0	0	108.8	K9 I37 V41 K79	K9-E77 IonicContact NZ-OE2 3.99Å; K9-E77 PolarHBondContact NZ-OE2 2.81Å; K9-E77 VanDerWaalsContact NZ-OE2 3.17Å; I37-E77 HydrophobicContact CG2-CB 4.17Å; I37-E77 HydrophobicContact CG2-CG 4.32Å; V41-E77 HydrophobicContact CG2-CG 4.17Å; V41-E77 WeakPolarHBondContact O-CA 3.2Å; E77-K79 PolarHBondContact O-N 3.25Å
78	E	85.3	Confident	66.8	Low	114 Å²	114	107.2 Å²	107.2	53%	0.533	57%	0.566	S	S	.	*			trans	-80.7	112.9	178	-84.2	-175.6	178.2	0	0	111.6	V41 K43 N80	V41-E78 PolarHBondContact O-N 3.45Å; K43-E78 HydrophobicContact CB-CG 3.96Å; K43-E78 HydrophobicContact CD-CG 4.25Å; K43-E78 WeakPolarHBondContact CD-OE1 3.45Å; E78-N80 PolarHBondContact O-N 3.34Å
79	K	63.1	Low	64.9	Low	156 Å²	156	107.9 Å²	107.9	68%	0.678	58%	0.575	S	S	*	*			trans	-96.3	86.4	177.7	-66.4	-173.3	177.1	-172.9	0	111.2	E77	E77-K79 PolarHBondContact O-N 3.25Å
80	N	47.8	Very low	62.8	Low	158 Å²	158	112.3 Å²	112.3	85%	0.845	59%	0.593	S	S	*	*			trans	149.9	111.5	144.3	-84	-28.9	0	0	0	112.5	E78	E78-N80 PolarHBondContact O-N 3.34Å
81	K	47	Very low	60.6	Low	159 Å²	159	119.4 Å²	119.4	69%	0.691	61%	0.607	S	S	*	*			trans	-87.6	101.1	158.7	-78.6	175.1	178.1	163.9	0	109.1	D40	D40-K81 IonicContact OD2-NZ 2.77Å; D40-K81 PolarHBondContact OD2-NZ 3.03Å
82	S	37.2	Very low	58.1	Low	111 Å²	111	121.7 Å²	121.7	78%	0.776	63%	0.631	S	S	*	*			trans	-93.7	115.8	159.4	53.4	0	0	0	0	109.2
83	K	42.3	Very low	55.5	Low	208 Å²	208	124.8 Å²	124.8	90%	0.904	65%	0.652	S	S	*	*			trans	-50	129.8	176.2	-63.6	172.1	175.8	178.2	0	111.5
84	S	32.8	Very low	52.8	Low	122 Å²	122	132.8 Å²	132.8	85%	0.853	69%	0.689	S	S	*	*			trans	-107.4	123.6	162.3	30.9	0	0	0	0	109.7
85	Q	36.3	Very low	50.4	Low	177 Å²	177	136.2 Å²	136.2	83%	0.827	71%	0.708	S	S	*	*			trans	-71.6	153.7	178.8	-69.1	175.8	-48.4	0	0	111.7	H87	Q85-H87 PolarHBondContact O-N 2.89Å
86	D	33.5	Very low	48.1	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	75%	0.746	S	S	*	*			trans	-44.4	121.8	168	-79.5	-48.5	0	0	0	113.2
87	H	36.3	Very low	46.6	Very low	175 Å²	175	142.5 Å²	142.5	81%	0.81	74%	0.738	S	S	*	*			trans	-132.9	138.4	150.2	-78.8	-54.4	0	0	0	109.5	Q85 I89	Q85-H87 PolarHBondContact O-N 2.89Å; H87-I89 PolarHBondContact O-N 2.74Å
88	P	39.2	Very low	45.8	Very low	123 Å²	123	142.5 Å²	142.5	80%	0.799	75%	0.747	S	S	*	*			trans	-73.4	132	-169.6	0.5	14.9	0	0	0	111.5	L90	P88-L90 PolarHBondContact O-N 2.89Å
89	I	46	Very low	45.7	Very low	160 Å²	160	140.2 Å²	140.2	82%	0.821	74%	0.742	S	S	*	*			trans	-1.3	111	154.9	-52.8	170.6	0	0	0	114.8	H87	H87-I89 PolarHBondContact O-N 2.74Å
90	L	42.4	Very low	47	Very low	158 Å²	158	135.5 Å²	135.5	83%	0.827	73%	0.726	S	S	*	*			trans	179.2	94.8	131.8	-96	155.1	0	0	0	110.1	P88	P88-L90 PolarHBondContact O-N 2.89Å
91	K	36.3	Very low	49.2	Very low	210 Å²	210	128.6 Å²	128.6	91%	0.913	69%	0.689	S	S	*	*	S	Bend	trans	168.8	123.4	130.3	-89.8	170	-174.3	-174.2	0	110.7
92	A	36.1	Very low	51.5	Low	90 Å²	90	121.8 Å²	121.8	74%	0.744	66%	0.663	S	S	*	*			trans	3.2	147.9	168.2	0	0	0	0	0	121.5	H94	A92-H94 PolarHBondContact O-N 3.03Å
93	P	37.7	Very low	54.3	Low	113 Å²	113	120.6 Å²	120.6	73%	0.734	64%	0.641	S	S	*	*			trans	-64.6	119.9	174	29	-31.9	0	0	0	109.4	L95	P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 3.37Å
94	H	37.1	Very low	56.8	Low	169 Å²	169	114.9 Å²	114.9	78%	0.782	61%	0.614	S	S	*	*			trans	-72.9	94	165.6	-161.8	-85.3	0	0	0	106.8	A92 E96	A92-H94 PolarHBondContact O-N 3.03Å; H94-E96 PolarHBondContact O-N 2.83Å; H94-E96 VanDerWaalsContact O-N 3.17Å
95	L	43.7	Very low	59.8	Low	119 Å²	119	114.1 Å²	114.1	62%	0.623	60%	0.604	S	S	*	*			trans	-58	114.1	164.4	-113.4	78.2	0	0	0	106.3	P93 L97	P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 3.37Å; L95-L97 VanDerWaalsContact C-N 3.26Å; L95-L97 HydrophobicContact CB-CD2 4.18Å; L95-L97 HydrophobicContact CB-CG 4.14Å; L95-L97 HydrophobicContact CD2-CD2 3.78Å; L95-L97 PolarHBondContact O-N 2.8Å
96	E	46.5	Very low	62.5	Low	175 Å²	175	105.9 Å²	105.9	82%	0.818	57%	0.566	S	S	*	*			trans	-64.1	96.1	159.7	-73.2	-94.9	143.6	0	0	106.3	H94 S98	H94-E96 PolarHBondContact O-N 2.83Å; H94-E96 VanDerWaalsContact O-N 3.17Å; E96-S98 PolarHBondContact O-N 2.91Å
97	L	60.8	Low	65.3	Low	51 Å²	51	100.7 Å²	100.7	27%	0.267	54%	0.541	S	S	.	.			trans	-73.8	107.8	-179.3	-70.3	160.3	0	0	0	107.6	L95 V227 P228 Q229	L95-L97 VanDerWaalsContact C-N 3.26Å; L95-L97 HydrophobicContact CB-CD2 4.18Å; L95-L97 HydrophobicContact CB-CG 4.14Å; L95-L97 HydrophobicContact CD2-CD2 3.78Å; L95-L97 PolarHBondContact O-N 2.8Å; L97-V227 HydrophobicContact CB-CG1 4.05Å; L97-V227 VanDerWaalsContact O-CG1 3.3Å; L97-V227 WeakPolarHBondContact O-CG1 3.21Å; L97-P228 HydrophobicContact CB-CB 4.38Å; L97-P228 HydrophobicContact CB-CG 4.46Å; L97-P228 HydrophobicContact CD1-CB 4.2Å; L97-P228 WeakPolarHBondContact CD1-O 3.45Å; L97-P228 HydrophobicContact CD2-CB 4.09Å; L97-P228 HydrophobicContact CD2-CG 4.37Å; L97-P228 HydrophobicContact CG-CB 4.43Å; L97-Q229 HydrophobicContact CD1-CB 3.83Å; L97-Q229 HydrophobicContact CD1-CG 4.06Å
98	S	74	Confident	67.8	Low	82 Å²	82	97 Å²	97	57%	0.573	54%	0.54	S	S	*	.			trans	-68.5	144.8	174.8	55.3	0	0	0	0	110.3	E96 V100	E96-S98 PolarHBondContact O-N 2.91Å; S98-V100 PolarHBondContact O-N 2.86Å
99	P	83.6	Confident	70.2	Confident	66 Å²	66	94.5 Å²	94.5	43%	0.429	52%	0.52	S	S	.	.			trans	-59.3	127.6	174.6	-15.5	23.6	0	0	0	111.3	K225 E226 V227	P99-K225 HydrophobicContact CB-CD 4.37Å; P99-K225 HydrophobicContact CB-CG 3.91Å; P99-E226 CarbonylContact C-O 3.59Å; P99-E226 VanDerWaalsContact CA-O 3.25Å; P99-E226 WeakPolarHBondContact CA-O 3.43Å; P99-V227 HydrophobicContact CB-CG2 3.98Å; P99-V227 HydrophobicContact CG-CG2 3.7Å
100	V	90.1	Very high	72.3	Confident	57 Å²	57	89.9 Å²	89.9	35%	0.345	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.2	178.8	-62.8	0	0	0	0	110	S98 K225 E226 P228	S98-V100 PolarHBondContact O-N 2.86Å; V100-K225 CarbonylContact O-C 3.43Å; V100-K225 VanDerWaalsContact O-CA 3.31Å; V100-K225 WeakPolarHBondContact O-CA 3.29Å; V100-E226 HydrophobicContact CG2-CG 4.49Å; V100-E226 PolarHBondContact N-O 2.67Å; V100-E226 PolarHBondContact O-N 2.72Å; V100-P228 HydrophobicContact CG2-CG 3.84Å
101	L	95.2	Very high	74.9	Confident	12 Å²	12	83 Å²	83	6%	0.063	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.2	166.9	-170.1	62.8	0	0	0	108.1	L223 Q224 F238 I245 Q248 A249 L252	L101-L223 HydrophobicContact CD1-CB 3.99Å; L101-L223 HydrophobicContact CD2-CD1 4.2Å; L101-L223 HydrophobicContact CG-CB 4.41Å; L101-Q224 CarbonylContact C-O 3.44Å; L101-Q224 WeakPolarHBondContact CA-O 3.27Å; L101-F238 HydrophobicContact CD1-CZ 4.43Å; L101-I245 HydrophobicContact CD1-CD1 3.78Å; L101-I245 HydrophobicContact CD1-CG1 4.46Å; L101-I245 HydrophobicContact CD2-CD1 4.1Å; L101-I245 HydrophobicContact CD2-CG1 4.46Å; L101-I245 HydrophobicContact CG-CD1 4.35Å; L101-Q248 HydrophobicContact CB-CB 4.16Å; L101-Q248 HydrophobicContact CD2-CB 3.84Å; L101-A249 HydrophobicContact CD2-CB 3.69Å; L101-L252 HydrophobicContact CB-CD1 4.01Å; L101-L252 HydrophobicContact CD2-CD1 3.83Å; L101-L252 HydrophobicContact CG-CD1 3.65Å
102	A	94.4	Very high	77.8	Confident	17 Å²	17	73.5 Å²	73.5	14%	0.14	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.2	-177.2	0	0	0	0	0	110.8	L223 Q224 E226	A102-L223 WeakPolarHBondContact O-CA 3.26Å; A102-Q224 PolarHBondContact N-O 2.77Å; A102-Q224 PolarHBondContact O-N 3.23Å; A102-E226 HydrophobicContact CB-CG 4.18Å
103	R	95.8	Very high	80.8	Confident	86 Å²	86	69.3 Å²	69.3	33%	0.325	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.5	168	174.4	-178.6	176.3	168.2	3.8	108.5	I214 D216 D221 L223	R103-I214 HydrophobicContact CB-CG2 4.47Å; R103-I214 HydrophobicContact CG-CG2 3.96Å; R103-D216 IonicContact NH2-OD2 2.62Å; R103-D221 HydrophobicContact CG-CB 3.79Å; R103-D221 IonicContact CZ-OD2 3.48Å; R103-D221 IonicContact NE-OD2 2.81Å; R103-D221 PolarHBondContact NE-OD2 2.9Å; R103-D221 IonicContact NH2-OD2 3.39Å; R103-D221 PolarHBondContact NH2-OD2 3.39Å; R103-L223 HydrophobicContact CB-CD2 4.02Å
104	R	94.9	Very high	83.7	Confident	87 Å²	87	64 Å²	64	33%	0.328	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-99.1	121.1	166.4	169.5	-176.7	-172.8	91	1.3	108.5	Y119 D221 P222	R104-Y119 WeakPolarHBondContact CD-OH 3.21Å; R104-D221 WeakPolarHBondContact O-CB 3.26Å; R104-D221 VanDerWaalsContact O-OD1 3.12Å; R104-P222 HydrophobicContact CB-CG 4.1Å; R104-P222 HydrophobicContact CG-CG 4.36Å; R104-P222 PolarHBondContact N-O 3.35Å; R104-P222 VanDerWaalsContact O-CD 3.22Å; R104-P222 WeakPolarHBondContact O-CD 3.24Å
105	V	95.1	Very high	86.6	Confident	107 Å²	107	56 Å²	56	65%	0.648	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-74.4	128.9	180	-179.3	0	0	0	0	110.6	D221	V105-D221 VanDerWaalsContact CA-OD1 3.23Å; V105-D221 WeakPolarHBondContact CA-OD1 3.44Å
106	V	93.6	Very high	89.2	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	29%	0.287	C	S	.	.			trans	-105.2	164.5	168.5	-60	0	0	0	0	110.3	A108 C112 T115 Y126 Y220 D221 P222	V106-A108 PolarHBondContact O-N 2.9Å; V106-C112 HydrophobicContact CG2-CB 3.97Å; V106-T115 HydrophobicContact CB-CG2 4.06Å; V106-T115 HydrophobicContact CG1-CG2 3.92Å; V106-Y126 HydrophobicContact CG1-CE2 4.38Å; V106-Y220 WeakPolarHBondContact CG2-O 3.23Å; V106-D221 WeakPolarHBondContact CG2-OD1 3.28Å; V106-D221 PolarHBondContact N-OD1 3.39Å; V106-P222 HydrophobicContact CG1-CG 3.99Å
107	P	91.6	Very high	91.7	Very high	54 Å²	54	42 Å²	42	35%	0.351	25%	0.248	S	C	.	.			trans	-56.4	135.4	177.8	-26.9	36.5	0	0	0	112.3	D109 Y126 H219	P107-D109 PolarHBondContact O-N 2.83Å; P107-Y126 VanDerWaalsContact CD-OH 3.24Å; P107-Y126 WeakPolarHBondContact CD-OH 3.38Å; P107-Y126 VanDerWaalsContact CG-OH 3.26Å; P107-Y126 WeakPolarHBondContact CG-OH 3.37Å; P107-H219 PolarHBondContact O-CE1 2.72Å
108	A	90.3	Very high	93.5	Very high	96 Å²	96	40.4 Å²	40.4	79%	0.793	24%	0.239	S	C	*	.			trans	-76.6	60.9	173	0	0	0	0	0	111.2	V106	V106-A108 PolarHBondContact O-N 2.9Å
109	D	88.3	Confident	94.6	Very high	71 Å²	71	36.7 Å²	36.7	38%	0.38	21%	0.213	S	C	.	.	S	Bend	trans	-103.5	174.6	169.9	64	32.7	0	0	0	110.8	P107 S111 C112	P107-D109 PolarHBondContact O-N 2.83Å; D109-S111 PolarHBondContact O-N 2.85Å; D109-S111 VanDerWaalsContact OD1-C 3.28Å; D109-S111 WeakPolarHBondContact OD1-CA 3.23Å; D109-S111 VanDerWaalsContact OD1-CB 3.31Å; D109-S111 WeakPolarHBondContact OD1-CB 3.4Å; D109-S111 PolarHBondContact OD1-N 3.12Å; D109-C112 PolarHBondContact O-N 3.04Å; D109-C112 PolarHBondContact OD1-N 2.69Å; D109-C112 VanDerWaalsContact OD1-N 3.11Å
110	N	91.8	Very high	95.3	Very high	63 Å²	63	33.6 Å²	33.6	34%	0.337	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	3.9	178.3	-59	-51.4	0	0	0	113	R135 D168 W171	N110-R135 PolarHBondContact O-NH2 2.82Å; N110-D168 VanDerWaalsContact CB-O 3.31Å; N110-D168 WeakPolarHBondContact CB-O 3.41Å; N110-W171 PolarHBondContact OD1-NE1 3.33Å
111	S	96.6	Very high	95.6	Very high	13 Å²	13	31.9 Å²	31.9	9%	0.091	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	6.8	-175.5	-62.8	0	0	0	0	114.3	D109 L113 F114 T115 R135	D109-S111 PolarHBondContact O-N 2.85Å; D109-S111 VanDerWaalsContact OD1-C 3.28Å; D109-S111 WeakPolarHBondContact OD1-CA 3.23Å; D109-S111 VanDerWaalsContact OD1-CB 3.31Å; D109-S111 WeakPolarHBondContact OD1-CB 3.4Å; D109-S111 PolarHBondContact OD1-N 3.12Å; S111-L113 PolarHBondContact O-N 2.86Å; S111-F114 PolarHBondContact O-N 3.44Å; S111-T115 PolarHBondContact O-N 3.49Å; S111-T115 VanDerWaalsContact O-N 3.14Å; S111-T115 PolarHBondContact O-OG1 2.98Å; S111-R135 PolarHBondContact OG-NH2 2.81Å
112	C	97.1	Very high	95.6	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-49.3	-35.9	-179.8	59.9	0	0	0	0	114.6	V106 D109 S116 H219	V106-C112 HydrophobicContact CG2-CB 3.97Å; D109-C112 PolarHBondContact O-N 3.04Å; D109-C112 PolarHBondContact OD1-N 2.69Å; D109-C112 VanDerWaalsContact OD1-N 3.11Å; C112-S116 WeakPolarHBondContact O-CB 3.41Å; C112-S116 PolarHBondContact O-N 3.49Å; C112-S116 PolarHBondContact O-OG 3Å; C112-H219 WeakPolarHBondContact CB-CE1 3.34Å; C112-H219 WeakPolarHBondContact CB-ND1 3.47Å; C112-H219 PolarHBondContact SG-ND1 3.39Å
113	L	98.4	Very high	95.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-50.7	174.6	175.8	63.7	0	0	0	112	S111 S116 V117 G172 E176 V177 L213 Y220	S111-L113 PolarHBondContact O-N 2.86Å; L113-S116 PolarHBondContact O-N 2.99Å; L113-V117 HydrophobicContact CD1-CG2 3.96Å; L113-V117 HydrophobicContact CG-CG2 4.48Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 2.96Å; L113-G172 VanDerWaalsContact CD2-C 3.46Å; L113-E176 HydrophobicContact CD2-CB 3.79Å; L113-V177 HydrophobicContact CD1-CG2 3.77Å; L113-V177 HydrophobicContact CD2-CG2 4.12Å; L113-L213 HydrophobicContact CD1-CD1 3.98Å; L113-Y220 HydrophobicContact CB-CD2 3.9Å; L113-Y220 HydrophobicContact CB-CE2 4.32Å; L113-Y220 HydrophobicContact CB-CG 4.27Å; L113-Y220 HydrophobicContact CD1-CD1 3.85Å; L113-Y220 HydrophobicContact CD1-CD2 4.13Å; L113-Y220 HydrophobicContact CD1-CE1 4Å; L113-Y220 HydrophobicContact CD1-CE2 4.28Å; L113-Y220 HydrophobicContact CD1-CG 3.91Å
114	F	98.4	Very high	95.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-46.3	-176.2	-50.4	-75	0	0	0	110.1	S111 S116 V117 N118 A131 M134 R135 I138 I165 E176	S111-F114 PolarHBondContact O-N 3.44Å; F114-S116 VanDerWaalsContact C-N 3.3Å; F114-S116 PolarHBondContact O-N 2.86Å; F114-V117 PolarHBondContact O-N 2.66Å; F114-N118 VanDerWaalsContact O-CB 3.29Å; F114-N118 WeakPolarHBondContact O-CB 3.45Å; F114-N118 PolarHBondContact O-N 2.78Å; F114-A131 HydrophobicContact CB-CB 3.98Å; F114-A131 HydrophobicContact CD2-CB 4.32Å; F114-A131 HydrophobicContact CG-CB 4.39Å; F114-M134 HydrophobicContact CB-CB 4.34Å; F114-M134 HydrophobicContact CB-CE 4.47Å; F114-M134 HydrophobicContact CB-SD 3.75Å; F114-M134 HydrophobicContact CD1-CB 4.03Å; F114-R135 HydrophobicContact CD1-CG 4.37Å; F114-R135 HydrophobicContact CD2-CG 4.42Å; F114-R135 HydrophobicContact CE1-CG 4.02Å; F114-R135 HydrophobicContact CE2-CG 4.12Å; F114-R135 HydrophobicContact CZ-CG 3.88Å; F114-I138 HydrophobicContact CD1-CD1 4.16Å; F114-I138 HydrophobicContact CE1-CD1 3.61Å; F114-I165 HydrophobicContact CZ-CD1 4.04Å; F114-E176 HydrophobicContact CE1-CB 4.46Å; F114-E176 HydrophobicContact CE1-CG 3.99Å; F114-E176 HydrophobicContact CZ-CG 4.21Å
115	T	98	Very high	95.3	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-42.9	175.3	-52	0	0	0	0	111.7	V106 S111 Y119 Y126	V106-T115 HydrophobicContact CB-CG2 4.06Å; V106-T115 HydrophobicContact CG1-CG2 3.92Å; S111-T115 PolarHBondContact O-N 3.49Å; S111-T115 VanDerWaalsContact O-N 3.14Å; S111-T115 PolarHBondContact O-OG1 2.98Å; T115-Y119 VanDerWaalsContact O-CB 3.28Å; T115-Y119 WeakPolarHBondContact O-CB 3.2Å; T115-Y119 PolarHBondContact O-N 3.42Å; T115-Y126 HydrophobicContact CG2-CD2 4.32Å; T115-Y126 HydrophobicContact CG2-CE2 3.79Å
116	S	98.6	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-46.2	179.3	-60.5	0	0	0	0	112.4	C112 L113 F114 Y119 V120 Y220 D221 P222	C112-S116 WeakPolarHBondContact O-CB 3.41Å; C112-S116 PolarHBondContact O-N 3.49Å; C112-S116 PolarHBondContact O-OG 3Å; L113-S116 PolarHBondContact O-N 2.99Å; F114-S116 VanDerWaalsContact C-N 3.3Å; F114-S116 PolarHBondContact O-N 2.86Å; S116-Y119 WeakPolarHBondContact O-CB 3.5Å; S116-Y119 PolarHBondContact O-N 3.24Å; S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 3.09Å; S116-Y220 PolarHBondContact OG-O 3.21Å; S116-Y220 VanDerWaalsContact OG-O 3.05Å; S116-D221 WeakPolarHBondContact OG-CA 3.44Å; S116-P222 VanDerWaalsContact OG-CD 3.31Å; S116-P222 WeakPolarHBondContact OG-CD 3.21Å
117	V	98.7	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-48	177.5	173.1	0	0	0	0	110.3	L113 F114 Y119 V120 V121 M134 L180 Y184 I188 L213	L113-V117 HydrophobicContact CD1-CG2 3.96Å; L113-V117 HydrophobicContact CG-CG2 4.48Å; L113-V117 WeakPolarHBondContact O-CG2 3.45Å; L113-V117 PolarHBondContact O-N 2.96Å; F114-V117 PolarHBondContact O-N 2.66Å; V117-Y119 VanDerWaalsContact C-N 3.3Å; V117-Y119 PolarHBondContact O-N 3.11Å; V117-V120 VanDerWaalsContact O-CG2 3.22Å; V117-V120 WeakPolarHBondContact O-CG2 3.4Å; V117-V120 PolarHBondContact O-N 3.31Å; V117-V121 HydrophobicContact CG1-CG1 4.19Å; V117-V121 WeakPolarHBondContact O-CG1 3.35Å; V117-V121 VanDerWaalsContact O-CG2 3.24Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å; V117-M134 HydrophobicContact CB-CE 4.03Å; V117-M134 HydrophobicContact CG1-CE 3.89Å; V117-L180 HydrophobicContact CB-CD1 4.31Å; V117-L180 HydrophobicContact CG1-CB 4.28Å; V117-L180 HydrophobicContact CG1-CD1 4.02Å; V117-L180 HydrophobicContact CG2-CD1 4.26Å; V117-Y184 HydrophobicContact CG1-CD2 4.45Å; V117-Y184 HydrophobicContact CG1-CE2 4.11Å; V117-I188 HydrophobicContact CG1-CD1 4.22Å; V117-I188 HydrophobicContact CG2-CD1 4.5Å; V117-L213 HydrophobicContact CG2-CD1 3.75Å
118	N	98.3	Very high	94.6	Very high	17 Å²	17	37 Å²	37	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-56	-46.5	177.1	-169	77.9	0	0	0	111.2	F114 V120 V121 E122 C130 M134	F114-N118 VanDerWaalsContact O-CB 3.29Å; F114-N118 WeakPolarHBondContact O-CB 3.45Å; F114-N118 PolarHBondContact O-N 2.78Å; N118-V120 VanDerWaalsContact C-N 3.35Å; N118-V120 PolarHBondContact O-N 3.06Å; N118-V121 PolarHBondContact O-N 3.41Å; N118-E122 VanDerWaalsContact O-CB 3.24Å; N118-E122 WeakPolarHBondContact O-CB 3.32Å; N118-E122 VanDerWaalsContact O-CG 3.31Å; N118-E122 WeakPolarHBondContact O-CG 3.44Å; N118-E122 PolarHBondContact O-N 2.99Å; N118-C130 HydrophobicContact CB-CB 4.05Å; N118-C130 VanDerWaalsContact CB-SG 3.55Å; N118-M134 HydrophobicContact CB-CE 4.5Å; N118-M134 HydrophobicContact CB-SD 3.8Å
119	Y	98.3	Very high	94.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-48.6	178.7	-175.4	-92.5	0	0	0	112.6	R104 T115 S116 V117 G124 Y126 P222 Q224 P234 T236	R104-Y119 WeakPolarHBondContact CD-OH 3.21Å; T115-Y119 VanDerWaalsContact O-CB 3.28Å; T115-Y119 WeakPolarHBondContact O-CB 3.2Å; T115-Y119 PolarHBondContact O-N 3.42Å; S116-Y119 WeakPolarHBondContact O-CB 3.5Å; S116-Y119 PolarHBondContact O-N 3.24Å; V117-Y119 VanDerWaalsContact C-N 3.3Å; V117-Y119 PolarHBondContact O-N 3.11Å; Y119-G124 WeakPolarHBondContact CE2-O 3.4Å; Y119-G124 VanDerWaalsContact CZ-C 3.49Å; Y119-G124 VanDerWaalsContact CZ-O 3.23Å; Y119-G124 WeakPolarHBondContact O-CA 3.42Å; Y119-G124 PolarHBondContact O-N 3.24Å; Y119-G124 WeakPolarHBondContact OH-CA 3.2Å; Y119-G124 PolarHBondContact OH-O 3.42Å; Y119-G124 VanDerWaalsContact OH-O 3.06Å; Y119-Y126 HydrophobicContact CD2-CD2 4.43Å; Y119-P222 HydrophobicContact CD1-CB 3.49Å; Y119-P222 VanDerWaalsContact CD1-CB 3.49Å; Y119-P222 HydrophobicContact CD1-CG 3.6Å; Y119-P222 HydrophobicContact CE1-CB 4.3Å; Y119-P222 HydrophobicContact CE1-CG 4.29Å; Y119-P222 HydrophobicContact CG-CB 4.15Å; Y119-P222 HydrophobicContact CG-CG 3.95Å; Y119-Q224 HydrophobicContact CE1-CB 4.46Å; Y119-Q224 VanDerWaalsContact CZ-OE1 3.24Å; Y119-Q224 PolarHBondContact OH-OE1 2.83Å; Y119-P234 WeakPolarHBondContact OH-CG 3.35Å; Y119-T236 HydrophobicContact CD1-CG2 4.1Å; Y119-T236 HydrophobicContact CE1-CG2 3.69Å
120	V	98.5	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-75.5	-37.4	-175.1	-64.4	0	0	0	0	113.1	S116 V117 N118 G123 V211 L213 P222 T236 I237	S116-V120 WeakPolarHBondContact O-CG2 3.38Å; S116-V120 PolarHBondContact O-N 3.09Å; V117-V120 VanDerWaalsContact O-CG2 3.22Å; V117-V120 WeakPolarHBondContact O-CG2 3.4Å; V117-V120 PolarHBondContact O-N 3.31Å; N118-V120 VanDerWaalsContact C-N 3.35Å; N118-V120 PolarHBondContact O-N 3.06Å; V120-G123 PolarHBondContact O-N 3.25Å; V120-V211 HydrophobicContact CB-CB 3.77Å; V120-V211 HydrophobicContact CB-CG1 3.89Å; V120-V211 HydrophobicContact CB-CG2 4.45Å; V120-V211 HydrophobicContact CG2-CB 3.5Å; V120-V211 VanDerWaalsContact CG2-CB 3.5Å; V120-V211 HydrophobicContact CG2-CG1 3.87Å; V120-V211 HydrophobicContact CG2-CG2 3.62Å; V120-L213 HydrophobicContact CG1-CD2 4.24Å; V120-L213 HydrophobicContact CG2-CD2 4.01Å; V120-P222 HydrophobicContact CG1-CB 3.47Å; V120-P222 VanDerWaalsContact CG1-CB 3.47Å; V120-T236 HydrophobicContact CG1-CG2 4.39Å; V120-T236 WeakPolarHBondContact O-CB 3.37Å; V120-T236 PolarHBondContact O-OG1 3Å; V120-I237 WeakPolarHBondContact O-CG1 3.49Å
121	V	96.1	Very high	95.3	Very high	22 Å²	22	29.9 Å²	29.9	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-75.2	-29.1	-179.5	-58.4	0	0	0	0	112.5	V117 N118 G123 Y184 V211	V117-V121 HydrophobicContact CG1-CG1 4.19Å; V117-V121 WeakPolarHBondContact O-CG1 3.35Å; V117-V121 VanDerWaalsContact O-CG2 3.24Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å; N118-V121 PolarHBondContact O-N 3.41Å; V121-G123 PolarHBondContact O-N 3.2Å; V121-Y184 HydrophobicContact CB-CD1 4.2Å; V121-Y184 HydrophobicContact CB-CD2 4.49Å; V121-Y184 HydrophobicContact CB-CE1 4.3Å; V121-Y184 HydrophobicContact CB-CG 4.3Å; V121-Y184 HydrophobicContact CG1-CD1 4.46Å; V121-Y184 HydrophobicContact CG1-CD2 3.99Å; V121-Y184 HydrophobicContact CG1-CE2 4.36Å; V121-Y184 HydrophobicContact CG1-CG 4.06Å; V121-Y184 HydrophobicContact CG2-CD1 4.1Å; V121-Y184 HydrophobicContact CG2-CD2 4.33Å; V121-Y184 HydrophobicContact CG2-CE1 3.69Å; V121-Y184 HydrophobicContact CG2-CE2 3.97Å; V121-Y184 HydrophobicContact CG2-CG 4.41Å; V121-V211 HydrophobicContact CG1-CG1 4.42Å; V121-V211 HydrophobicContact CG1-CG2 4.47Å
122	E	95	Very high	95.4	Very high	102 Å²	102	33.2 Å²	33.2	48%	0.477	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	14.4	174.5	-63.3	-58.5	141.3	0	0	113.1	N118 V125	N118-E122 VanDerWaalsContact O-CB 3.24Å; N118-E122 WeakPolarHBondContact O-CB 3.32Å; N118-E122 VanDerWaalsContact O-CG 3.31Å; N118-E122 WeakPolarHBondContact O-CG 3.44Å; N118-E122 PolarHBondContact O-N 2.99Å; E122-V125 HydrophobicContact CB-CB 4.08Å; E122-V125 WeakPolarHBondContact O-CG2 3.44Å
123	G	92.7	Very high	95.5	Very high	36 Å²	36	40 Å²	40	37%	0.371	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	30.6	172.8	0	0	0	0	0	114.4	V120 V121 T236	V120-G123 PolarHBondContact O-N 3.25Å; V121-G123 PolarHBondContact O-N 3.2Å; G123-T236 VanDerWaalsContact CA-OG1 3.26Å; G123-T236 WeakPolarHBondContact CA-OG1 3.26Å
124	G	93.1	Very high	95.5	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	24%	0.236	C	C	.	.	S	Bend	trans	91.6	16.8	178.4	0	0	0	0	0	114.8	Y119 T236	Y119-G124 WeakPolarHBondContact CE2-O 3.4Å; Y119-G124 VanDerWaalsContact CZ-C 3.49Å; Y119-G124 VanDerWaalsContact CZ-O 3.23Å; Y119-G124 WeakPolarHBondContact O-CA 3.42Å; Y119-G124 PolarHBondContact O-N 3.24Å; Y119-G124 WeakPolarHBondContact OH-CA 3.2Å; Y119-G124 PolarHBondContact OH-O 3.42Å; Y119-G124 VanDerWaalsContact OH-O 3.06Å; G124-T236 PolarHBondContact N-OG1 3.01Å
125	V	93.3	Very high	95.5	Very high	87 Å²	87	40.3 Å²	40.3	53%	0.527	24%	0.237	S	C	.	.			trans	-84.1	120.5	175	177.8	0	0	0	0	109.7	E122	E122-V125 HydrophobicContact CB-CB 4.08Å; E122-V125 WeakPolarHBondContact O-CG2 3.44Å
126	Y	91.8	Very high	95.5	Very high	89 Å²	89	42.6 Å²	42.6	35%	0.349	25%	0.253	S	S	.	.			trans	-86.8	114.6	177.6	-179.2	-106.9	0	0	0	111.1	V106 P107 T115 Y119 P128	V106-Y126 HydrophobicContact CG1-CE2 4.38Å; P107-Y126 VanDerWaalsContact CD-OH 3.24Å; P107-Y126 WeakPolarHBondContact CD-OH 3.38Å; P107-Y126 VanDerWaalsContact CG-OH 3.26Å; P107-Y126 WeakPolarHBondContact CG-OH 3.37Å; T115-Y126 HydrophobicContact CG2-CD2 4.32Å; T115-Y126 HydrophobicContact CG2-CE2 3.79Å; Y119-Y126 HydrophobicContact CD2-CD2 4.43Å; Y126-P128 HydrophobicContact CE1-CB 4.13Å; Y126-P128 HydrophobicContact CE1-CG 4.07Å
127	D	91.2	Very high	95.5	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	26%	0.261	S	S	.	.			trans	-125.1	106.1	171.4	179.1	12.8	0	0	0	110.3	A129 C130	D127-A129 PolarHBondContact O-N 3.11Å; D127-A129 WeakPolarHBondContact OD1-CB 3.33Å; D127-A129 PolarHBondContact OD1-N 3.5Å; D127-C130 HydrophobicContact CB-CB 4.39Å; D127-C130 PolarHBondContact O-SG 2.9Å
128	P	81.8	Confident	95.5	Very high	81 Å²	81	44.2 Å²	44.2	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.2	177.5	30.6	-33.9	0	0	0	113.3	Y126	Y126-P128 HydrophobicContact CE1-CB 4.13Å; Y126-P128 HydrophobicContact CE1-CG 4.07Å
129	A	93.5	Very high	95.5	Very high	71 Å²	71	43.5 Å²	43.5	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	2.9	-176.9	0	0	0	0	0	113.7	D127 A131 P132	D127-A129 PolarHBondContact O-N 3.11Å; D127-A129 WeakPolarHBondContact OD1-CB 3.33Å; D127-A129 PolarHBondContact OD1-N 3.5Å; A129-A131 VanDerWaalsContact C-N 3.33Å; A129-A131 PolarHBondContact O-N 3.17Å; A129-P132 VanDerWaalsContact O-CD 3.31Å; A129-P132 WeakPolarHBondContact O-CD 3.38Å
130	C	95.8	Very high	95.5	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.027	29%	0.286	C	S	.	.			trans	-68.9	-25.6	-176.5	62.9	0	0	0	0	114.4	N118 D127 E133 M134	N118-C130 HydrophobicContact CB-CB 4.05Å; N118-C130 VanDerWaalsContact CB-SG 3.55Å; D127-C130 HydrophobicContact CB-CB 4.39Å; D127-C130 PolarHBondContact O-SG 2.9Å; C130-E133 PolarHBondContact O-N 3.44Å; C130-M134 HydrophobicContact CB-SD 4.32Å; C130-M134 WeakPolarHBondContact O-CG 3.45Å; C130-M134 PolarHBondContact O-N 3.01Å; C130-M134 VanDerWaalsContact O-N 3.08Å
131	A	97.1	Very high	95.5	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-44.7	-167.5	0	0	0	0	0	114.9	F114 A129 E133 M134 R135	F114-A131 HydrophobicContact CB-CB 3.98Å; F114-A131 HydrophobicContact CD2-CB 4.32Å; F114-A131 HydrophobicContact CG-CB 4.39Å; A129-A131 VanDerWaalsContact C-N 3.33Å; A129-A131 PolarHBondContact O-N 3.17Å; A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 3.44Å; A131-M134 PolarHBondContact O-N 3.04Å; A131-R135 WeakPolarHBondContact O-CB 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.43Å
132	P	98.3	Very high	95.6	Very high	84 Å²	84	50.1 Å²	50.1	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-36.6	178	-24.8	36.3	0	0	0	113.7	A129 S136	A129-P132 VanDerWaalsContact O-CD 3.31Å; A129-P132 WeakPolarHBondContact O-CD 3.38Å; P132-S136 WeakPolarHBondContact O-CB 3.39Å; P132-S136 PolarHBondContact O-N 2.86Å; P132-S136 PolarHBondContact O-OG 2.88Å
133	E	98	Very high	95.7	Very high	153 Å²	153	48.2 Å²	48.2	72%	0.715	29%	0.286	S	S	*	.	H	α-helix	trans	-69.9	-47.6	177.8	-175.8	171	-168.9	0	0	110.7	C130 A131 R135 S136 L137	C130-E133 PolarHBondContact O-N 3.44Å; A131-E133 VanDerWaalsContact C-N 3.3Å; A131-E133 PolarHBondContact O-N 3.44Å; E133-R135 VanDerWaalsContact C-N 3.35Å; E133-R135 PolarHBondContact O-N 3.34Å; E133-S136 WeakPolarHBondContact O-CB 3.36Å; E133-S136 PolarHBondContact O-N 3.38Å; E133-S136 VanDerWaalsContact O-N 3.12Å; E133-L137 PolarHBondContact O-N 2.74Å
134	M	98.4	Very high	96	Very high	7 Å²	7	51 Å²	51	3%	0.034	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-41.7	177.3	-65.6	-176.9	78.9	0	0	112.5	F114 V117 N118 C130 A131 S136 L137 I138 L180 Y184	F114-M134 HydrophobicContact CB-CB 4.34Å; F114-M134 HydrophobicContact CB-CE 4.47Å; F114-M134 HydrophobicContact CB-SD 3.75Å; F114-M134 HydrophobicContact CD1-CB 4.03Å; V117-M134 HydrophobicContact CB-CE 4.03Å; V117-M134 HydrophobicContact CG1-CE 3.89Å; N118-M134 HydrophobicContact CB-CE 4.5Å; N118-M134 HydrophobicContact CB-SD 3.8Å; C130-M134 HydrophobicContact CB-SD 4.32Å; C130-M134 WeakPolarHBondContact O-CG 3.45Å; C130-M134 PolarHBondContact O-N 3.01Å; C130-M134 VanDerWaalsContact O-N 3.08Å; A131-M134 PolarHBondContact O-N 3.04Å; M134-S136 VanDerWaalsContact C-N 3.32Å; M134-S136 PolarHBondContact O-N 2.94Å; M134-L137 WeakPolarHBondContact O-CB 3.38Å; M134-L137 PolarHBondContact O-N 3.22Å; M134-I138 WeakPolarHBondContact O-CD1 3.47Å; M134-I138 WeakPolarHBondContact O-CG1 3.25Å; M134-I138 PolarHBondContact O-N 2.85Å; M134-L180 HydrophobicContact CE-CD1 3.77Å; M134-L180 HydrophobicContact CE-CD2 3.78Å; M134-L180 HydrophobicContact CE-CG 4.42Å; M134-Y184 HydrophobicContact CE-CE2 4.36Å
135	R	98.7	Very high	96.1	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.011	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-39.8	174.6	-71.5	170.5	-178.5	-78.9	6.5	111.9	N110 S111 F114 A131 E133 I138 A139 I165 R167 T170	N110-R135 PolarHBondContact O-NH2 2.82Å; S111-R135 PolarHBondContact OG-NH2 2.81Å; F114-R135 HydrophobicContact CD1-CG 4.37Å; F114-R135 HydrophobicContact CD2-CG 4.42Å; F114-R135 HydrophobicContact CE1-CG 4.02Å; F114-R135 HydrophobicContact CE2-CG 4.12Å; F114-R135 HydrophobicContact CZ-CG 3.88Å; A131-R135 WeakPolarHBondContact O-CB 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.45Å; A131-R135 PolarHBondContact O-N 3.43Å; E133-R135 VanDerWaalsContact C-N 3.35Å; E133-R135 PolarHBondContact O-N 3.34Å; R135-I138 PolarHBondContact O-N 2.88Å; R135-A139 PolarHBondContact O-N 3.17Å; R135-I165 WeakPolarHBondContact CB-O 3.38Å; R135-I165 WeakPolarHBondContact CD-O 3.41Å; R135-I165 WeakPolarHBondContact CG-O 3.44Å; R135-I165 PolarHBondContact NH1-O 2.87Å; R135-R167 PolarHBondContact NH1-O 2.72Å; R135-T170 VanDerWaalsContact CZ-O 3.31Å; R135-T170 PolarHBondContact NH1-O 3.42Å; R135-T170 PolarHBondContact NH1-OG1 3.41Å; R135-T170 PolarHBondContact NH2-O 3.11Å
136	S	98.6	Very high	96.3	Very high	51 Å²	51	52.8 Å²	52.8	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-41.9	176.5	-63.3	0	0	0	0	111.7	P132 E133 M134 A139 Q140	P132-S136 WeakPolarHBondContact O-CB 3.39Å; P132-S136 PolarHBondContact O-N 2.86Å; P132-S136 PolarHBondContact O-OG 2.88Å; E133-S136 WeakPolarHBondContact O-CB 3.36Å; E133-S136 PolarHBondContact O-N 3.38Å; E133-S136 VanDerWaalsContact O-N 3.12Å; M134-S136 VanDerWaalsContact C-N 3.32Å; M134-S136 PolarHBondContact O-N 2.94Å; S136-A139 PolarHBondContact O-N 2.98Å; S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.39Å
137	L	98.4	Very high	96.5	Very high	33 Å²	33	54.6 Å²	54.6	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-48.5	173.2	171	66	0	0	0	111.5	E133 M134 A139 Q140 I141 L180 F183	E133-L137 PolarHBondContact O-N 2.74Å; M134-L137 WeakPolarHBondContact O-CB 3.38Å; M134-L137 PolarHBondContact O-N 3.22Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.49Å; L137-Q140 WeakPolarHBondContact O-CB 3.49Å; L137-Q140 PolarHBondContact O-N 2.97Å; L137-Q140 VanDerWaalsContact O-N 3.16Å; L137-I141 HydrophobicContact CD1-CD1 3.91Å; L137-I141 HydrophobicContact CD1-CG1 4.3Å; L137-I141 HydrophobicContact CG-CD1 4Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 2.81Å; L137-L180 HydrophobicContact CD2-CD2 4.49Å; L137-F183 HydrophobicContact CD1-CD2 3.87Å; L137-F183 HydrophobicContact CD1-CE2 3.55Å; L137-F183 HydrophobicContact CD1-CZ 4.03Å; L137-F183 HydrophobicContact CD2-CD1 3.65Å; L137-F183 HydrophobicContact CD2-CD2 3.92Å; L137-F183 HydrophobicContact CD2-CE1 3.55Å; L137-F183 HydrophobicContact CD2-CE2 3.84Å; L137-F183 HydrophobicContact CD2-CG 3.83Å; L137-F183 HydrophobicContact CD2-CZ 3.65Å; L137-F183 HydrophobicContact CG-CD2 4.36Å; L137-F183 HydrophobicContact CG-CE2 4.3Å; L137-F183 HydrophobicContact CG-CZ 4.49Å
138	I	98.6	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-47.1	177.9	-74	155.1	0	0	0	110.8	F114 M134 R135 Q140 I141 V142 I165 E176 I179 L180	F114-I138 HydrophobicContact CD1-CD1 4.16Å; F114-I138 HydrophobicContact CE1-CD1 3.61Å; M134-I138 WeakPolarHBondContact O-CD1 3.47Å; M134-I138 WeakPolarHBondContact O-CG1 3.25Å; M134-I138 PolarHBondContact O-N 2.85Å; R135-I138 PolarHBondContact O-N 2.88Å; I138-Q140 VanDerWaalsContact C-N 3.28Å; I138-Q140 PolarHBondContact O-N 3.04Å; I138-I141 PolarHBondContact O-N 2.85Å; I138-I141 VanDerWaalsContact O-N 3.16Å; I138-V142 HydrophobicContact CG2-CG2 4.21Å; I138-V142 WeakPolarHBondContact O-CB 3.4Å; I138-V142 VanDerWaalsContact O-CG2 3.31Å; I138-V142 WeakPolarHBondContact O-CG2 3.4Å; I138-V142 PolarHBondContact O-N 2.83Å; I138-I165 HydrophobicContact CG2-CG1 3.96Å; I138-I165 HydrophobicContact CG2-CG2 4.35Å; I138-E176 HydrophobicContact CD1-CB 4.01Å; I138-E176 HydrophobicContact CD1-CG 3.7Å; I138-E176 HydrophobicContact CG2-CG 4.39Å; I138-I179 HydrophobicContact CG1-CG2 3.96Å; I138-I179 HydrophobicContact CG2-CD1 3.93Å; I138-L180 HydrophobicContact CD1-CD1 4.17Å; I138-L180 HydrophobicContact CD1-CD2 4.15Å; I138-L180 HydrophobicContact CD1-CG 4.16Å; I138-L180 HydrophobicContact CG1-CD2 4.21Å; I138-L180 HydrophobicContact CG1-CG 4.4Å
139	A	98.7	Very high	97.3	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-36.3	177.2	0	0	0	0	0	112.8	R135 S136 L137 S143 C162 I165 K166	R135-A139 PolarHBondContact O-N 3.17Å; S136-A139 PolarHBondContact O-N 2.98Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 3.49Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.03Å; A139-S143 PolarHBondContact O-OG 2.92Å; A139-C162 HydrophobicContact CB-CB 4.2Å; A139-C162 PolarHBondContact O-SG 2.9Å; A139-C162 VanDerWaalsContact O-SG 3.4Å; A139-I165 HydrophobicContact CB-CG2 3.91Å; A139-K166 HydrophobicContact CB-CD 4.22Å; A139-K166 HydrophobicContact CB-CG 3.96Å
140	Q	98.5	Very high	97.3	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.603	30%	0.297	S	S	*	.	H	α-helix	trans	-64.9	-44.6	173.6	-73.8	172.7	-0.3	0	0	111.6	S136 L137 I138 S143 S144	S136-Q140 WeakPolarHBondContact O-CG 3.42Å; S136-Q140 PolarHBondContact O-N 3.39Å; L137-Q140 WeakPolarHBondContact O-CB 3.49Å; L137-Q140 PolarHBondContact O-N 2.97Å; L137-Q140 VanDerWaalsContact O-N 3.16Å; I138-Q140 VanDerWaalsContact C-N 3.28Å; I138-Q140 PolarHBondContact O-N 3.04Å; Q140-S143 PolarHBondContact O-N 2.69Å; Q140-S143 PolarHBondContact O-OG 3.25Å; Q140-S143 VanDerWaalsContact O-OG 3.08Å; Q140-S144 WeakPolarHBondContact O-CB 3.46Å; Q140-S144 PolarHBondContact O-N 2.68Å
141	I	97.9	Very high	97.2	Very high	37 Å²	37	55.9 Å²	55.9	19%	0.19	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-46.3	177.7	-66.8	167.9	0	0	0	110.8	L137 I138 S143 S144 Y149 I179 F183	L137-I141 HydrophobicContact CD1-CD1 3.91Å; L137-I141 HydrophobicContact CD1-CG1 4.3Å; L137-I141 HydrophobicContact CG-CD1 4Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 2.81Å; I138-I141 PolarHBondContact O-N 2.85Å; I138-I141 VanDerWaalsContact O-N 3.16Å; I141-S143 PolarHBondContact O-N 3.12Å; I141-S144 PolarHBondContact O-N 2.89Å; I141-S144 PolarHBondContact O-OG 2.89Å; I141-Y149 HydrophobicContact CG2-CE2 4.01Å; I141-I179 HydrophobicContact CB-CG2 4.09Å; I141-I179 HydrophobicContact CD1-CG2 3.55Å; I141-I179 HydrophobicContact CG1-CG2 4.42Å; I141-I179 HydrophobicContact CG2-CG2 3.93Å; I141-F183 HydrophobicContact CD1-CB 4.29Å; I141-F183 HydrophobicContact CD1-CD2 4.14Å
142	V	97.9	Very high	96.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.9	-45.8	179	169.7	0	0	0	0	111.5	I138 S144 D145 Y149 L154 N158 Y161 C162 I179	I138-V142 HydrophobicContact CG2-CG2 4.21Å; I138-V142 WeakPolarHBondContact O-CB 3.4Å; I138-V142 VanDerWaalsContact O-CG2 3.31Å; I138-V142 WeakPolarHBondContact O-CG2 3.4Å; I138-V142 PolarHBondContact O-N 2.83Å; V142-S144 VanDerWaalsContact C-N 3.29Å; V142-S144 PolarHBondContact O-N 2.81Å; V142-D145 PolarHBondContact O-N 2.87Å; V142-Y149 HydrophobicContact CB-CG 4.43Å; V142-Y149 HydrophobicContact CG1-CG 4.35Å; V142-Y149 HydrophobicContact CG2-CD1 4.3Å; V142-Y149 HydrophobicContact CG2-CG 4.24Å; V142-L154 HydrophobicContact CG1-CD1 3.92Å; V142-L154 HydrophobicContact CG1-CD2 4.48Å; V142-N158 WeakPolarHBondContact CG1-ND2 3.43Å; V142-N158 PolarHBondContact O-ND2 3.41Å; V142-Y161 HydrophobicContact CG1-CD1 4.13Å; V142-Y161 HydrophobicContact CG2-CD1 4.24Å; V142-Y161 HydrophobicContact CG2-CE1 4.26Å; V142-C162 VanDerWaalsContact CG1-SG 3.6Å; V142-I179 HydrophobicContact CG2-CD1 3.62Å
143	S	98.3	Very high	96.4	Very high	61 Å²	61	59.8 Å²	59.8	43%	0.427	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-22.1	179.1	55.3	0	0	0	0	113.9	A139 Q140 I141 D145	A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.03Å; A139-S143 PolarHBondContact O-OG 2.92Å; Q140-S143 PolarHBondContact O-N 2.69Å; Q140-S143 PolarHBondContact O-OG 3.25Å; Q140-S143 VanDerWaalsContact O-OG 3.08Å; I141-S143 PolarHBondContact O-N 3.12Å; S143-D145 VanDerWaalsContact C-N 3.34Å
144	S	98.1	Very high	95.9	Very high	94 Å²	94	53 Å²	53	66%	0.657	32%	0.324	S	S	*	.	H	α-helix	trans	-74.8	-21.7	178.5	74.7	0	0	0	0	114.1	Q140 I141 V142	Q140-S144 WeakPolarHBondContact O-CB 3.46Å; Q140-S144 PolarHBondContact O-N 2.68Å; I141-S144 PolarHBondContact O-N 2.89Å; I141-S144 PolarHBondContact O-OG 2.89Å; V142-S144 VanDerWaalsContact C-N 3.29Å; V142-S144 PolarHBondContact O-N 2.81Å
145	D	95.7	Very high	95.5	Very high	72 Å²	72	56 Å²	56	39%	0.385	36%	0.356	S	S	.	.			trans	-137.4	74.8	178.1	-170.1	-9.4	0	0	0	112.1	V142 S143 T147 A148 Y149	V142-D145 PolarHBondContact O-N 2.87Å; S143-D145 VanDerWaalsContact C-N 3.34Å; D145-T147 PolarHBondContact O-N 2.82Å; D145-T147 VanDerWaalsContact O-N 3.11Å; D145-T147 PolarHBondContact OD1-N 2.74Å; D145-A148 HydrophobicContact CB-CB 4.26Å; D145-A148 VanDerWaalsContact CG-CB 3.4Å; D145-A148 PolarHBondContact O-N 3.16Å; D145-A148 PolarHBondContact OD1-N 3.15Å; D145-A148 WeakPolarHBondContact OD2-CB 3.36Å; D145-Y149 HydrophobicContact CB-CD2 4.13Å; D145-Y149 HydrophobicContact CB-CE2 4.27Å; D145-Y149 VanDerWaalsContact O-CD2 3.27Å; D145-Y149 WeakPolarHBondContact O-CD2 3.39Å; D145-Y149 PolarHBondContact O-N 3.18Å
146	P	96.4	Very high	95.3	Very high	70 Å²	70	59.9 Å²	59.9	46%	0.455	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.4	179.9	-21.7	34.2	0	0	0	114.1	Y149 C150	P146-Y149 CarbonylContact O-C 3.42Å; P146-C150 PolarHBondContact O-N 2.8Å
147	T	96.8	Very high	95.2	Very high	126 Å²	126	59.2 Å²	59.2	77%	0.773	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-47.7	177.6	-56.5	0	0	0	0	110	D145	D145-T147 PolarHBondContact O-N 2.82Å; D145-T147 VanDerWaalsContact O-N 3.11Å; D145-T147 PolarHBondContact OD1-N 2.74Å
148	A	94.2	Very high	95.2	Very high	49 Å²	49	58.3 Å²	58.3	41%	0.405	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-38.2	174.2	0	0	0	0	0	112.1	D145	D145-A148 HydrophobicContact CB-CB 4.26Å; D145-A148 VanDerWaalsContact CG-CB 3.4Å; D145-A148 PolarHBondContact O-N 3.16Å; D145-A148 PolarHBondContact OD1-N 3.15Å; D145-A148 WeakPolarHBondContact OD2-CB 3.36Å
149	Y	95.9	Very high	95.2	Very high	25 Å²	25	65 Å²	65	10%	0.098	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	62.6	179.6	-55.2	-73.1	0	0	0	111	I141 V142 D145 P146 L154 N158 I179	I141-Y149 HydrophobicContact CG2-CE2 4.01Å; V142-Y149 HydrophobicContact CB-CG 4.43Å; V142-Y149 HydrophobicContact CG1-CG 4.35Å; V142-Y149 HydrophobicContact CG2-CD1 4.3Å; V142-Y149 HydrophobicContact CG2-CG 4.24Å; D145-Y149 HydrophobicContact CB-CD2 4.13Å; D145-Y149 HydrophobicContact CB-CE2 4.27Å; D145-Y149 VanDerWaalsContact O-CD2 3.27Å; D145-Y149 WeakPolarHBondContact O-CD2 3.39Å; D145-Y149 PolarHBondContact O-N 3.18Å; P146-Y149 CarbonylContact O-C 3.42Å; Y149-L154 HydrophobicContact CD1-CD2 4.4Å; Y149-L154 WeakPolarHBondContact O-CD1 3.47Å; Y149-N158 PolarHBondContact O-ND2 2.91Å; Y149-I179 HydrophobicContact CD1-CD1 4.45Å; Y149-I179 HydrophobicContact CE1-CD1 3.82Å; Y149-I179 HydrophobicContact CE1-CG1 3.82Å
150	C	93.5	Very high	95.2	Very high	48 Å²	48	70.2 Å²	70.2	32%	0.324	42%	0.417	S	S	.	.			trans	-86.4	171.2	177	65.7	0	0	0	0	112.3	P146 A152 V153 L154	P146-C150 PolarHBondContact O-N 2.8Å; C150-A152 PolarHBondContact O-N 2.89Å; C150-A152 VanDerWaalsContact O-N 3.12Å; C150-V153 PolarHBondContact O-N 2.75Å; C150-L154 WeakPolarHBondContact O-CG 3.14Å; C150-L154 PolarHBondContact O-N 3.42Å
151	E	92.5	Very high	95.2	Very high	124 Å²	124	64.4 Å²	64.4	58%	0.579	39%	0.39	S	S	*	.	H	α-helix	trans	-52.3	-35.1	178.5	-80.4	177.3	-165.4	0	0	114.2	V153 L154 G155 K156 T157	E151-V153 VanDerWaalsContact C-N 3.27Å; E151-V153 PolarHBondContact O-N 3.01Å; E151-L154 PolarHBondContact O-N 2.93Å; E151-G155 WeakPolarHBondContact O-CA 3.19Å; E151-G155 PolarHBondContact O-N 3.42Å; E151-K156 WeakPolarHBondContact CA-O 3.36Å; E151-K156 WeakPolarHBondContact CG-O 3.37Å; E151-T157 HydrophobicContact CG-CG2 4.48Å; E151-T157 VanDerWaalsContact OE1-CG2 3.31Å; E151-T157 WeakPolarHBondContact OE1-CG2 3.31Å
152	A	90.7	Very high	95.3	Very high	97 Å²	97	63.2 Å²	63.2	80%	0.802	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-31.5	178.9	0	0	0	0	0	112.6	C150	C150-A152 PolarHBondContact O-N 2.89Å; C150-A152 VanDerWaalsContact O-N 3.12Å
153	V	88.7	Confident	95.3	Very high	74 Å²	74	66.3 Å²	66.3	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-84.3	-43	177.4	176.4	0	0	0	0	110.6	C150 E151 I175	C150-V153 PolarHBondContact O-N 2.75Å; E151-V153 VanDerWaalsContact C-N 3.27Å; E151-V153 PolarHBondContact O-N 3.01Å; V153-I175 WeakPolarHBondContact O-CD1 3.27Å
154	L	88.3	Confident	95.3	Very high	12 Å²	12	67.1 Å²	67.1	6%	0.063	40%	0.404	C	S	.	.	H	α-helix	trans	-87.2	-20.6	-170.8	-61.9	179.1	0	0	0	114.1	V142 Y149 C150 E151 K156 N158 Y161 I175	V142-L154 HydrophobicContact CG1-CD1 3.92Å; V142-L154 HydrophobicContact CG1-CD2 4.48Å; Y149-L154 HydrophobicContact CD1-CD2 4.4Å; Y149-L154 WeakPolarHBondContact O-CD1 3.47Å; C150-L154 WeakPolarHBondContact O-CG 3.14Å; C150-L154 PolarHBondContact O-N 3.42Å; E151-L154 PolarHBondContact O-N 2.93Å; L154-K156 PolarHBondContact O-N 2.93Å; L154-N158 HydrophobicContact CD1-CB 4.37Å; L154-Y161 HydrophobicContact CB-CD2 3.71Å; L154-Y161 HydrophobicContact CB-CE2 4.23Å; L154-Y161 HydrophobicContact CB-CG 4.12Å; L154-Y161 HydrophobicContact CD1-CD1 4.43Å; L154-Y161 HydrophobicContact CD1-CD2 4.39Å; L154-Y161 HydrophobicContact CD1-CG 3.94Å; L154-Y161 HydrophobicContact CD2-CD1 3.91Å; L154-Y161 HydrophobicContact CD2-CD2 3.85Å; L154-Y161 HydrophobicContact CD2-CE1 3.98Å; L154-Y161 HydrophobicContact CD2-CE2 3.89Å; L154-Y161 HydrophobicContact CD2-CG 3.83Å; L154-Y161 HydrophobicContact CG-CD2 4.19Å; L154-Y161 HydrophobicContact CG-CG 4.18Å; L154-I175 HydrophobicContact CD2-CD1 4.3Å; L154-I175 HydrophobicContact CD2-CG2 4.22Å
155	G	89.4	Confident	95.3	Very high	68 Å²	68	62.7 Å²	62.7	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	67.2	10.3	-171.9	0	0	0	0	0	114.6	E151	E151-G155 WeakPolarHBondContact O-CA 3.19Å; E151-G155 PolarHBondContact O-N 3.42Å
156	K	93.8	Very high	95.5	Very high	86 Å²	86	64.9 Å²	64.9	37%	0.374	38%	0.379	S	S	.	.	S	Bend	trans	-153.2	166	179.3	-58.5	-174.3	-174.3	-56.4	0	108.8	E151 L154 E160	E151-K156 WeakPolarHBondContact CA-O 3.36Å; E151-K156 WeakPolarHBondContact CG-O 3.37Å; L154-K156 PolarHBondContact O-N 2.93Å; K156-E160 HydrophobicContact CB-CB 4.16Å
157	T	97.9	Very high	95.5	Very high	36 Å²	36	67.6 Å²	67.6	22%	0.221	38%	0.38	C	S	.	.			trans	-60.9	156.3	171.7	85.8	0	0	0	0	110.5	E151 E159 E160 Y161	E151-T157 HydrophobicContact CG-CG2 4.48Å; E151-T157 VanDerWaalsContact OE1-CG2 3.31Å; E151-T157 WeakPolarHBondContact OE1-CG2 3.31Å; T157-E159 VanDerWaalsContact C-N 3.3Å; T157-E159 PolarHBondContact O-N 3.35Å; T157-E160 HydrophobicContact CG2-CG 4.29Å; T157-E160 PolarHBondContact N-OE2 3.12Å; T157-E160 PolarHBondContact O-N 3Å; T157-E160 WeakPolarHBondContact OG1-CB 3.35Å; T157-E160 VanDerWaalsContact OG1-CG 3.28Å; T157-E160 WeakPolarHBondContact OG1-CG 3.31Å; T157-E160 PolarHBondContact OG1-N 3.08Å; T157-Y161 WeakPolarHBondContact O-CB 3.38Å; T157-Y161 PolarHBondContact O-N 2.92Å
158	N	98.4	Very high	95.4	Very high	14 Å²	14	67.6 Å²	67.6	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-58.5	-44.4	179.4	-174	-79.1	0	0	0	111.2	V142 Y149 L154 Y161 C162	V142-N158 WeakPolarHBondContact CG1-ND2 3.43Å; V142-N158 PolarHBondContact O-ND2 3.41Å; Y149-N158 PolarHBondContact O-ND2 2.91Å; L154-N158 HydrophobicContact CD1-CB 4.37Å; N158-Y161 PolarHBondContact O-N 3.05Å; N158-C162 PolarHBondContact O-N 3.37Å; N158-C162 PolarHBondContact O-SG 3.29Å
159	E	98.6	Very high	95.4	Very high	140 Å²	140	68.7 Å²	68.7	65%	0.654	37%	0.374	S	S	*	.	H	α-helix	trans	-64	-44.2	177	-64	81.5	-174.2	0	0	112.3	T157 Y161 C162 A163	T157-E159 VanDerWaalsContact C-N 3.3Å; T157-E159 PolarHBondContact O-N 3.35Å; E159-Y161 VanDerWaalsContact C-N 3.33Å; E159-Y161 PolarHBondContact O-N 2.78Å; E159-C162 PolarHBondContact O-N 3.35Å; E159-A163 PolarHBondContact O-N 3.47Å
160	E	98.4	Very high	95.1	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.4	-76.9	-179.1	161.8	0	0	111.5	K156 T157 A163 W164	K156-E160 HydrophobicContact CB-CB 4.16Å; T157-E160 HydrophobicContact CG2-CG 4.29Å; T157-E160 PolarHBondContact N-OE2 3.12Å; T157-E160 PolarHBondContact O-N 3Å; T157-E160 WeakPolarHBondContact OG1-CB 3.35Å; T157-E160 VanDerWaalsContact OG1-CG 3.28Å; T157-E160 WeakPolarHBondContact OG1-CG 3.31Å; T157-E160 PolarHBondContact OG1-N 3.08Å; E160-A163 PolarHBondContact O-N 2.91Å; E160-W164 WeakPolarHBondContact O-CB 3.45Å; E160-W164 PolarHBondContact O-N 3.38Å
161	Y	98.4	Very high	95.2	Very high	7 Å²	7	72.2 Å²	72.2	3%	0.027	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-45.7	176.7	-165.7	-87.7	0	0	0	111.7	V142 L154 T157 N158 E159 A163 W164 I165 I175 E176	V142-Y161 HydrophobicContact CG1-CD1 4.13Å; V142-Y161 HydrophobicContact CG2-CD1 4.24Å; V142-Y161 HydrophobicContact CG2-CE1 4.26Å; L154-Y161 HydrophobicContact CB-CD2 3.71Å; L154-Y161 HydrophobicContact CB-CE2 4.23Å; L154-Y161 HydrophobicContact CB-CG 4.12Å; L154-Y161 HydrophobicContact CD1-CD1 4.43Å; L154-Y161 HydrophobicContact CD1-CD2 4.39Å; L154-Y161 HydrophobicContact CD1-CG 3.94Å; L154-Y161 HydrophobicContact CD2-CD1 3.91Å; L154-Y161 HydrophobicContact CD2-CD2 3.85Å; L154-Y161 HydrophobicContact CD2-CE1 3.98Å; L154-Y161 HydrophobicContact CD2-CE2 3.89Å; L154-Y161 HydrophobicContact CD2-CG 3.83Å; L154-Y161 HydrophobicContact CG-CD2 4.19Å; L154-Y161 HydrophobicContact CG-CG 4.18Å; T157-Y161 WeakPolarHBondContact O-CB 3.38Å; T157-Y161 PolarHBondContact O-N 2.92Å; N158-Y161 PolarHBondContact O-N 3.05Å; E159-Y161 VanDerWaalsContact C-N 3.33Å; E159-Y161 PolarHBondContact O-N 2.78Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.04Å; Y161-W164 HydrophobicContact CD2-CE3 4.26Å; Y161-W164 HydrophobicContact CE2-CE3 4.07Å; Y161-W164 AromaticContact CE2-CZ3 3.95Å; Y161-W164 HydrophobicContact CE2-CZ3 3.95Å; Y161-W164 AromaticContact CZ-CZ3 3.98Å; Y161-W164 PolarHBondContact O-N 3.19Å; Y161-W164 VanDerWaalsContact O-N 3.14Å; Y161-I165 HydrophobicContact CD1-CB 4.48Å; Y161-I165 HydrophobicContact CD1-CG2 4.47Å; Y161-I165 HydrophobicContact CE1-CB 4.24Å; Y161-I165 WeakPolarHBondContact O-CG2 3.3Å; Y161-I165 PolarHBondContact O-N 3.34Å; Y161-I175 HydrophobicContact CE1-CG2 4.45Å; Y161-I175 HydrophobicContact CE2-CD1 4.21Å; Y161-I175 WeakPolarHBondContact OH-CG2 3.36Å; Y161-E176 VanDerWaalsContact OH-CD 3.3Å; Y161-E176 PolarHBondContact OH-OE1 2.75Å; Y161-E176 PolarHBondContact OH-OE2 3.05Å
162	C	98.7	Very high	95.3	Very high	12 Å²	12	66.8 Å²	66.8	8%	0.081	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-38.8	177.2	-70.8	0	0	0	0	112.2	A139 V142 N158 E159 K166	A139-C162 HydrophobicContact CB-CB 4.2Å; A139-C162 PolarHBondContact O-SG 2.9Å; A139-C162 VanDerWaalsContact O-SG 3.4Å; V142-C162 VanDerWaalsContact CG1-SG 3.6Å; N158-C162 PolarHBondContact O-N 3.37Å; N158-C162 PolarHBondContact O-SG 3.29Å; E159-C162 PolarHBondContact O-N 3.35Å; C162-K166 VanDerWaalsContact O-CE 3.27Å; C162-K166 WeakPolarHBondContact O-CE 3.4Å; C162-K166 WeakPolarHBondContact O-CG 3.49Å
163	A	98.7	Very high	95.5	Very high	65 Å²	65	63 Å²	63	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-40.5	174.8	0	0	0	0	0	111.8	E159 E160 Y161	E159-A163 PolarHBondContact O-N 3.47Å; E160-A163 PolarHBondContact O-N 2.91Å; Y161-A163 VanDerWaalsContact C-N 3.28Å; Y161-A163 PolarHBondContact O-N 3.04Å
164	W	98.5	Very high	95.7	Very high	79 Å²	79	62.3 Å²	62.3	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-51.6	-179.5	174.6	84.1	0	0	0	112.2	E160 Y161 K166 R167 T170 W171	E160-W164 WeakPolarHBondContact O-CB 3.45Å; E160-W164 PolarHBondContact O-N 3.38Å; Y161-W164 HydrophobicContact CD2-CE3 4.26Å; Y161-W164 HydrophobicContact CE2-CE3 4.07Å; Y161-W164 AromaticContact CE2-CZ3 3.95Å; Y161-W164 HydrophobicContact CE2-CZ3 3.95Å; Y161-W164 AromaticContact CZ-CZ3 3.98Å; Y161-W164 PolarHBondContact O-N 3.19Å; Y161-W164 VanDerWaalsContact O-N 3.14Å; W164-K166 PolarHBondContact O-N 2.88Å; W164-K166 VanDerWaalsContact O-N 3.17Å; W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 WeakPolarHBondContact O-CG 3.35Å; W164-R167 PolarHBondContact O-N 3.38Å; W164-T170 HydrophobicContact CD2-CG2 4.02Å; W164-T170 HydrophobicContact CG-CG2 4.05Å; W164-T170 HydrophobicContact CZ2-CG2 4.07Å; W164-T170 WeakPolarHBondContact O-CG2 3.42Å; W164-T170 PolarHBondContact O-OG1 2.97Å; W164-W171 WeakPolarHBondContact CH2-O 3.32Å
165	I	98.5	Very high	96.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-24.9	-173.2	-166.9	57.9	0	0	0	113.2	F114 R135 I138 A139 Y161 R167 E176	F114-I165 HydrophobicContact CZ-CD1 4.04Å; R135-I165 WeakPolarHBondContact CB-O 3.38Å; R135-I165 WeakPolarHBondContact CD-O 3.41Å; R135-I165 WeakPolarHBondContact CG-O 3.44Å; R135-I165 PolarHBondContact NH1-O 2.87Å; I138-I165 HydrophobicContact CG2-CG1 3.96Å; I138-I165 HydrophobicContact CG2-CG2 4.35Å; A139-I165 HydrophobicContact CB-CG2 3.91Å; Y161-I165 HydrophobicContact CD1-CB 4.48Å; Y161-I165 HydrophobicContact CD1-CG2 4.47Å; Y161-I165 HydrophobicContact CE1-CB 4.24Å; Y161-I165 WeakPolarHBondContact O-CG2 3.3Å; Y161-I165 PolarHBondContact O-N 3.34Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.37Å; I165-E176 HydrophobicContact CD1-CG 3.76Å; I165-E176 HydrophobicContact CG1-CG 4.36Å
166	K	98.5	Very high	96.5	Very high	118 Å²	118	60.8 Å²	60.8	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.2	176.4	-70	-177.1	-146.8	179.2	0	114	A139 C162 W164	A139-K166 HydrophobicContact CB-CD 4.22Å; A139-K166 HydrophobicContact CB-CG 3.96Å; C162-K166 VanDerWaalsContact O-CE 3.27Å; C162-K166 WeakPolarHBondContact O-CE 3.4Å; C162-K166 WeakPolarHBondContact O-CG 3.49Å; W164-K166 PolarHBondContact O-N 2.88Å; W164-K166 VanDerWaalsContact O-N 3.17Å
167	R	98	Very high	96.7	Very high	128 Å²	128	56.7 Å²	56.7	48%	0.483	29%	0.289	S	S	.	.	S	Bend	trans	-71.5	142.8	178.2	-60.1	167.1	57.1	92.6	-0.2	110.3	R135 W164 I165 D169 T170	R135-R167 PolarHBondContact NH1-O 2.72Å; W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 WeakPolarHBondContact O-CG 3.35Å; W164-R167 PolarHBondContact O-N 3.38Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 3.37Å; R167-D169 VanDerWaalsContact CB-OD1 3.27Å; R167-D169 WeakPolarHBondContact CB-OD1 3.4Å; R167-D169 IonicContact CZ-OD1 2.72Å; R167-D169 VanDerWaalsContact CZ-OD1 3.31Å; R167-D169 IonicContact CZ-OD2 3.15Å; R167-D169 IonicContact NE-OD1 3.63Å; R167-D169 PolarHBondContact NE-OD1 2.86Å; R167-D169 IonicContact NE-OD2 3.71Å; R167-D169 VanDerWaalsContact NH2-CG 3.27Å; R167-D169 IonicContact NH2-OD1 2.77Å; R167-D169 PolarHBondContact NH2-OD1 3.26Å; R167-D169 VanDerWaalsContact NH2-OD1 3.11Å; R167-D169 IonicContact NH2-OD2 3.59Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; R167-D169 PolarHBondContact O-N 3.31Å; R167-T170 HydrophobicContact CB-CG2 3.88Å; R167-T170 PolarHBondContact O-OG1 3.3Å
168	D	94.6	Very high	96.7	Very high	126 Å²	126	57.1 Å²	57.1	67%	0.674	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.4	178.5	60.1	-6.2	0	0	0	113.8	N110	N110-D168 VanDerWaalsContact CB-O 3.31Å; N110-D168 WeakPolarHBondContact CB-O 3.41Å
169	D	92.6	Very high	96.7	Very high	72 Å²	72	56.5 Å²	56.5	39%	0.385	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	10.4	-177.4	72.9	-18.8	0	0	0	114.7	R167	R167-D169 VanDerWaalsContact CB-OD1 3.27Å; R167-D169 WeakPolarHBondContact CB-OD1 3.4Å; R167-D169 IonicContact CZ-OD1 2.72Å; R167-D169 VanDerWaalsContact CZ-OD1 3.31Å; R167-D169 IonicContact CZ-OD2 3.15Å; R167-D169 IonicContact NE-OD1 3.63Å; R167-D169 PolarHBondContact NE-OD1 2.86Å; R167-D169 IonicContact NE-OD2 3.71Å; R167-D169 VanDerWaalsContact NH2-CG 3.27Å; R167-D169 IonicContact NH2-OD1 2.77Å; R167-D169 PolarHBondContact NH2-OD1 3.26Å; R167-D169 VanDerWaalsContact NH2-OD1 3.11Å; R167-D169 IonicContact NH2-OD2 3.59Å; R167-D169 PolarHBondContact NH2-OD2 2.91Å; R167-D169 PolarHBondContact O-N 3.31Å
170	T	91.4	Very high	96.7	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.049	26%	0.259	C	S	.	.			trans	-109.2	140.7	-178.2	59.3	0	0	0	0	111.9	R135 W164 R167	R135-T170 VanDerWaalsContact CZ-O 3.31Å; R135-T170 PolarHBondContact NH1-O 3.42Å; R135-T170 PolarHBondContact NH1-OG1 3.41Å; R135-T170 PolarHBondContact NH2-O 3.11Å; W164-T170 HydrophobicContact CD2-CG2 4.02Å; W164-T170 HydrophobicContact CG-CG2 4.05Å; W164-T170 HydrophobicContact CZ2-CG2 4.07Å; W164-T170 WeakPolarHBondContact O-CG2 3.42Å; W164-T170 PolarHBondContact O-OG1 2.97Å; R167-T170 HydrophobicContact CB-CG2 3.88Å; R167-T170 PolarHBondContact O-OG1 3.3Å
171	W	94.7	Very high	96.7	Very high	139 Å²	139	44.6 Å²	44.6	53%	0.527	24%	0.235	S	C	.	.			trans	-89.4	131.8	-179.2	-61.7	1.6	0	0	0	110.5	N110 W164 I218	N110-W171 PolarHBondContact OD1-NE1 3.33Å; W164-W171 WeakPolarHBondContact CH2-O 3.32Å; W171-I218 HydrophobicContact CH2-CB 4.02Å; W171-I218 HydrophobicContact CH2-CG2 4.12Å; W171-I218 HydrophobicContact CZ3-CB 4.02Å; W171-I218 HydrophobicContact CZ3-CG2 4.05Å
172	G	95.1	Very high	96.6	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	26%	0.257	C	S	.	.			trans	-75.6	161.2	165.5	0	0	0	0	0	111.6	L113 E176	L113-G172 VanDerWaalsContact CD2-C 3.46Å; G172-E176 WeakPolarHBondContact CA-OE2 3.3Å
173	G	94.3	Very high	96.5	Very high	18 Å²	18	54.2 Å²	54.2	19%	0.186	28%	0.275	C	S	.	.			trans	-153	-147.9	176.8	0	0	0	0	0	112.5	I175 E176 V177	G173-I175 PolarHBondContact O-N 2.97Å; G173-I175 VanDerWaalsContact O-N 3.16Å; G173-E176 PolarHBondContact N-OE2 3.34Å; G173-E176 WeakPolarHBondContact O-CB 3.45Å; G173-E176 PolarHBondContact O-N 3.49Å; G173-E176 VanDerWaalsContact O-N 3.09Å; G173-V177 WeakPolarHBondContact O-CG2 3.4Å; G173-V177 PolarHBondContact O-N 3.5Å
174	A	93.6	Very high	96.4	Very high	58 Å²	58	54 Å²	54	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-56.9	-33.3	-173.5	0	0	0	0	0	114.2	V177 S178 F201	A174-V177 PolarHBondContact O-N 3.49Å; A174-S178 WeakPolarHBondContact O-CB 3.27Å; A174-S178 PolarHBondContact O-N 3.39Å; A174-F201 HydrophobicContact CB-CE1 3.89Å; A174-F201 HydrophobicContact CB-CZ 3.85Å; A174-F201 VanDerWaalsContact O-CE1 3.31Å; A174-F201 WeakPolarHBondContact O-CE1 3.27Å
175	I	95.4	Very high	96.4	Very high	45 Å²	45	57 Å²	57	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-51.1	176.6	-63.1	173.5	0	0	0	109.7	V153 L154 Y161 G173 V177 S178 I179	V153-I175 WeakPolarHBondContact O-CD1 3.27Å; L154-I175 HydrophobicContact CD2-CD1 4.3Å; L154-I175 HydrophobicContact CD2-CG2 4.22Å; Y161-I175 HydrophobicContact CE1-CG2 4.45Å; Y161-I175 HydrophobicContact CE2-CD1 4.21Å; Y161-I175 WeakPolarHBondContact OH-CG2 3.36Å; G173-I175 PolarHBondContact O-N 2.97Å; G173-I175 VanDerWaalsContact O-N 3.16Å; I175-V177 PolarHBondContact O-N 3.37Å; I175-S178 PolarHBondContact O-N 2.99Å; I175-I179 HydrophobicContact CG2-CD1 3.93Å; I175-I179 WeakPolarHBondContact O-CG1 3.32Å; I175-I179 PolarHBondContact O-N 3.5Å
176	E	98.6	Very high	96.3	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.019	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.1	-73.8	58.7	-117.8	0	0	111.4	L113 F114 I138 Y161 I165 G172 G173 S178 I179 L180	L113-E176 HydrophobicContact CD2-CB 3.79Å; F114-E176 HydrophobicContact CE1-CB 4.46Å; F114-E176 HydrophobicContact CE1-CG 3.99Å; F114-E176 HydrophobicContact CZ-CG 4.21Å; I138-E176 HydrophobicContact CD1-CB 4.01Å; I138-E176 HydrophobicContact CD1-CG 3.7Å; I138-E176 HydrophobicContact CG2-CG 4.39Å; Y161-E176 VanDerWaalsContact OH-CD 3.3Å; Y161-E176 PolarHBondContact OH-OE1 2.75Å; Y161-E176 PolarHBondContact OH-OE2 3.05Å; I165-E176 HydrophobicContact CD1-CG 3.76Å; I165-E176 HydrophobicContact CG1-CG 4.36Å; G172-E176 WeakPolarHBondContact CA-OE2 3.3Å; G173-E176 PolarHBondContact N-OE2 3.34Å; G173-E176 WeakPolarHBondContact O-CB 3.45Å; G173-E176 PolarHBondContact O-N 3.49Å; G173-E176 VanDerWaalsContact O-N 3.09Å; E176-S178 VanDerWaalsContact C-N 3.33Å; E176-S178 PolarHBondContact O-N 2.94Å; E176-I179 PolarHBondContact O-N 3.09Å; E176-L180 WeakPolarHBondContact O-CB 3.31Å; E176-L180 VanDerWaalsContact O-CG 3.23Å; E176-L180 WeakPolarHBondContact O-CG 3.41Å; E176-L180 PolarHBondContact O-N 2.95Å
177	V	98.5	Very high	96.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-42.7	178.4	-174.6	0	0	0	0	111.3	L113 G173 A174 I175 I179 L180 S181 I188 V190 F201	L113-V177 HydrophobicContact CD1-CG2 3.77Å; L113-V177 HydrophobicContact CD2-CG2 4.12Å; G173-V177 WeakPolarHBondContact O-CG2 3.4Å; G173-V177 PolarHBondContact O-N 3.5Å; A174-V177 PolarHBondContact O-N 3.49Å; I175-V177 PolarHBondContact O-N 3.37Å; V177-I179 PolarHBondContact O-N 3.2Å; V177-L180 PolarHBondContact O-N 3.13Å; V177-S181 VanDerWaalsContact O-CB 3.27Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.34Å; V177-I188 HydrophobicContact CG1-CB 3.74Å; V177-I188 HydrophobicContact CG1-CD1 4.05Å; V177-I188 HydrophobicContact CG1-CG1 4.46Å; V177-I188 HydrophobicContact CG1-CG2 3.61Å; V177-V190 HydrophobicContact CG1-CG2 4.27Å; V177-F201 HydrophobicContact CB-CD1 4.08Å; V177-F201 HydrophobicContact CB-CD2 4.24Å; V177-F201 HydrophobicContact CB-CE1 4.09Å; V177-F201 HydrophobicContact CB-CE2 4.26Å; V177-F201 HydrophobicContact CB-CG 4.15Å; V177-F201 HydrophobicContact CB-CZ 4.19Å; V177-F201 HydrophobicContact CG1-CB 3.96Å; V177-F201 HydrophobicContact CG1-CD1 3.95Å; V177-F201 HydrophobicContact CG1-CD2 3.47Å; V177-F201 VanDerWaalsContact CG1-CD2 3.47Å; V177-F201 HydrophobicContact CG1-CE1 4.32Å; V177-F201 HydrophobicContact CG1-CE2 3.89Å; V177-F201 HydrophobicContact CG1-CG 3.51Å; V177-F201 HydrophobicContact CG1-CZ 4.29Å
178	S	97.8	Very high	96.4	Very high	44 Å²	44	45.8 Å²	45.8	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-43	176.7	-173	0	0	0	0	112.2	A174 I175 E176 K182	A174-S178 WeakPolarHBondContact O-CB 3.27Å; A174-S178 PolarHBondContact O-N 3.39Å; I175-S178 PolarHBondContact O-N 2.99Å; E176-S178 VanDerWaalsContact C-N 3.33Å; E176-S178 PolarHBondContact O-N 2.94Å; S178-K182 WeakPolarHBondContact O-CG 3.49Å; S178-K182 PolarHBondContact O-N 3.36Å
179	I	97.8	Very high	96.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-48.9	177.6	-70.7	168.8	0	0	0	110.7	I138 I141 V142 Y149 I175 E176 V177 S181 K182 F183	I138-I179 HydrophobicContact CG1-CG2 3.96Å; I138-I179 HydrophobicContact CG2-CD1 3.93Å; I141-I179 HydrophobicContact CB-CG2 4.09Å; I141-I179 HydrophobicContact CD1-CG2 3.55Å; I141-I179 HydrophobicContact CG1-CG2 4.42Å; I141-I179 HydrophobicContact CG2-CG2 3.93Å; V142-I179 HydrophobicContact CG2-CD1 3.62Å; Y149-I179 HydrophobicContact CD1-CD1 4.45Å; Y149-I179 HydrophobicContact CE1-CD1 3.82Å; Y149-I179 HydrophobicContact CE1-CG1 3.82Å; I175-I179 HydrophobicContact CG2-CD1 3.93Å; I175-I179 WeakPolarHBondContact O-CG1 3.32Å; I175-I179 PolarHBondContact O-N 3.5Å; E176-I179 PolarHBondContact O-N 3.09Å; V177-I179 PolarHBondContact O-N 3.2Å; I179-S181 PolarHBondContact O-N 3Å; I179-K182 PolarHBondContact O-N 3.18Å; I179-F183 PolarHBondContact O-N 3.02Å
180	L	98.5	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-38.3	-178.5	-66.4	169.1	0	0	0	111.5	V117 M134 L137 I138 E176 V177 K182 F183 Y184 I188	V117-L180 HydrophobicContact CB-CD1 4.31Å; V117-L180 HydrophobicContact CG1-CB 4.28Å; V117-L180 HydrophobicContact CG1-CD1 4.02Å; V117-L180 HydrophobicContact CG2-CD1 4.26Å; M134-L180 HydrophobicContact CE-CD1 3.77Å; M134-L180 HydrophobicContact CE-CD2 3.78Å; M134-L180 HydrophobicContact CE-CG 4.42Å; L137-L180 HydrophobicContact CD2-CD2 4.49Å; I138-L180 HydrophobicContact CD1-CD1 4.17Å; I138-L180 HydrophobicContact CD1-CD2 4.15Å; I138-L180 HydrophobicContact CD1-CG 4.16Å; I138-L180 HydrophobicContact CG1-CD2 4.21Å; I138-L180 HydrophobicContact CG1-CG 4.4Å; E176-L180 WeakPolarHBondContact O-CB 3.31Å; E176-L180 VanDerWaalsContact O-CG 3.23Å; E176-L180 WeakPolarHBondContact O-CG 3.41Å; E176-L180 PolarHBondContact O-N 2.95Å; V177-L180 PolarHBondContact O-N 3.13Å; L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 2.8Å; L180-F183 PolarHBondContact O-N 2.94Å; L180-Y184 HydrophobicContact CB-CD2 4.26Å; L180-Y184 HydrophobicContact CB-CE2 4.36Å; L180-Y184 HydrophobicContact CD2-CE2 4.04Å; L180-Y184 WeakPolarHBondContact O-CD2 3.47Å; L180-Y184 PolarHBondContact O-N 3.24Å; L180-I188 HydrophobicContact CB-CD1 4.22Å
181	S	98.4	Very high	97.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-44.4	173.1	172.4	0	0	0	0	111.9	V177 I179 Q185 C186 F201	V177-S181 VanDerWaalsContact O-CB 3.27Å; V177-S181 WeakPolarHBondContact O-CB 3.22Å; V177-S181 PolarHBondContact O-N 3.34Å; I179-S181 PolarHBondContact O-N 3Å; S181-Q185 WeakPolarHBondContact O-CA 3.2Å; S181-Q185 PolarHBondContact O-N 2.67Å; S181-C186 WeakPolarHBondContact CA-O 3.31Å; S181-C186 WeakPolarHBondContact CB-O 3.46Å; S181-C186 PolarHBondContact O-N 2.95Å; S181-C186 VanDerWaalsContact O-N 3.11Å; S181-C186 PolarHBondContact OG-O 2.84Å; S181-F201 PolarHBondContact OG-O 3.16Å; S181-F201 VanDerWaalsContact OG-O 3.12Å
182	K	96.4	Very high	97	Very high	116 Å²	116	29.9 Å²	29.9	50%	0.504	16%	0.159	S	C	.	.	H	α-helix	trans	-65	-45.3	175.2	-69.5	172.2	-174.5	174	0	112.3	S178 I179 L180 Q185 Y207	S178-K182 WeakPolarHBondContact O-CG 3.49Å; S178-K182 PolarHBondContact O-N 3.36Å; I179-K182 PolarHBondContact O-N 3.18Å; L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 2.8Å; K182-Q185 PolarHBondContact O-N 3.05Å; K182-Y207 WeakPolarHBondContact CA-OH 3.24Å
183	F	96.8	Very high	96.7	Very high	104 Å²	104	29.4 Å²	29.4	46%	0.456	15%	0.154	S	C	.	.	H	α-helix	trans	-61.9	-48	-179.1	178.7	-99	0	0	0	112.2	L137 I141 I179 L180 Q185	L137-F183 HydrophobicContact CD1-CD2 3.87Å; L137-F183 HydrophobicContact CD1-CE2 3.55Å; L137-F183 HydrophobicContact CD1-CZ 4.03Å; L137-F183 HydrophobicContact CD2-CD1 3.65Å; L137-F183 HydrophobicContact CD2-CD2 3.92Å; L137-F183 HydrophobicContact CD2-CE1 3.55Å; L137-F183 HydrophobicContact CD2-CE2 3.84Å; L137-F183 HydrophobicContact CD2-CG 3.83Å; L137-F183 HydrophobicContact CD2-CZ 3.65Å; L137-F183 HydrophobicContact CG-CD2 4.36Å; L137-F183 HydrophobicContact CG-CE2 4.3Å; L137-F183 HydrophobicContact CG-CZ 4.49Å; I141-F183 HydrophobicContact CD1-CB 4.29Å; I141-F183 HydrophobicContact CD1-CD2 4.14Å; I179-F183 PolarHBondContact O-N 3.02Å; L180-F183 PolarHBondContact O-N 2.94Å; F183-Q185 VanDerWaalsContact C-N 3.27Å; F183-Q185 PolarHBondContact O-N 3.41Å
184	Y	96.8	Very high	96	Very high	62 Å²	62	30.7 Å²	30.7	24%	0.243	16%	0.155	C	C	.	.	H	α-helix	trans	-80.9	-4.4	179.8	-69.3	-67.2	0	0	0	114	V117 V121 M134 L180 C186	V117-Y184 HydrophobicContact CG1-CD2 4.45Å; V117-Y184 HydrophobicContact CG1-CE2 4.11Å; V121-Y184 HydrophobicContact CB-CD1 4.2Å; V121-Y184 HydrophobicContact CB-CD2 4.49Å; V121-Y184 HydrophobicContact CB-CE1 4.3Å; V121-Y184 HydrophobicContact CB-CG 4.3Å; V121-Y184 HydrophobicContact CG1-CD1 4.46Å; V121-Y184 HydrophobicContact CG1-CD2 3.99Å; V121-Y184 HydrophobicContact CG1-CE2 4.36Å; V121-Y184 HydrophobicContact CG1-CG 4.06Å; V121-Y184 HydrophobicContact CG2-CD1 4.1Å; V121-Y184 HydrophobicContact CG2-CD2 4.33Å; V121-Y184 HydrophobicContact CG2-CE1 3.69Å; V121-Y184 HydrophobicContact CG2-CE2 3.97Å; V121-Y184 HydrophobicContact CG2-CG 4.41Å; M134-Y184 HydrophobicContact CE-CE2 4.36Å; L180-Y184 HydrophobicContact CB-CD2 4.26Å; L180-Y184 HydrophobicContact CB-CE2 4.36Å; L180-Y184 HydrophobicContact CD2-CE2 4.04Å; L180-Y184 WeakPolarHBondContact O-CD2 3.47Å; L180-Y184 PolarHBondContact O-N 3.24Å; Y184-C186 PolarHBondContact O-N 3.48Å
185	Q	97.5	Very high	95.6	Very high	141 Å²	141	30.8 Å²	30.8	66%	0.659	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	46.7	-172.6	-57.8	-160.4	-48.4	0	0	112.5	S181 K182 F183 Y207	S181-Q185 WeakPolarHBondContact O-CA 3.2Å; S181-Q185 PolarHBondContact O-N 2.67Å; K182-Q185 PolarHBondContact O-N 3.05Å; F183-Q185 VanDerWaalsContact C-N 3.27Å; F183-Q185 PolarHBondContact O-N 3.41Å; Q185-Y207 VanDerWaalsContact C-CD1 3.41Å; Q185-Y207 VanDerWaalsContact CA-CE1 3.43Å; Q185-Y207 HydrophobicContact CB-CD1 3.95Å; Q185-Y207 HydrophobicContact CB-CE1 3.72Å; Q185-Y207 HydrophobicContact CG-CE1 4.22Å; Q185-Y207 WeakPolarHBondContact O-CD1 3.11Å
186	C	97.3	Very high	95.4	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.054	15%	0.149	C	C	.	.			trans	-137.4	135.4	-172.3	-170.5	0	0	0	0	109.5	S181 Y184 I188 Y207 K209	S181-C186 WeakPolarHBondContact CA-O 3.31Å; S181-C186 WeakPolarHBondContact CB-O 3.46Å; S181-C186 PolarHBondContact O-N 2.95Å; S181-C186 VanDerWaalsContact O-N 3.11Å; S181-C186 PolarHBondContact OG-O 2.84Å; Y184-C186 PolarHBondContact O-N 3.48Å; C186-I188 PolarHBondContact O-N 2.97Å; C186-Y207 VanDerWaalsContact C-CD2 3.47Å; C186-K209 PolarHBondContact SG-O 2.77Å; C186-K209 VanDerWaalsContact SG-O 3.42Å
187	E	98.8	Very high	95	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	172.8	-176.7	-174.7	-141	0	0	109.3	R200 F201 K209 R210 V211 T240	E187-R200 IonicContact OE1-CZ 3.19Å; E187-R200 IonicContact OE1-NE 3.66Å; E187-R200 PolarHBondContact OE1-NE 2.98Å; E187-R200 IonicContact OE1-NH2 3.84Å; E187-R200 PolarHBondContact OE1-NH2 2.86Å; E187-R200 IonicContact OE2-NH2 2.67Å; E187-F201 VanDerWaalsContact CA-O 3.29Å; E187-F201 WeakPolarHBondContact CA-O 3.47Å; E187-F201 WeakPolarHBondContact CG-O 3.41Å; E187-K209 PolarHBondContact N-O 2.88Å; E187-R210 HydrophobicContact CB-CB 3.93Å; E187-R210 HydrophobicContact CG-CB 4.42Å; E187-R210 CarbonylContact O-C 3.59Å; E187-R210 WeakPolarHBondContact O-CA 3.45Å; E187-R210 IonicContact OE1-NH2 3.62Å; E187-R210 IonicContact OE2-CZ 3.83Å; E187-R210 IonicContact OE2-NE 2.72Å; E187-R210 PolarHBondContact OE2-NE 2.89Å; E187-R210 IonicContact OE2-NH2 2.78Å; E187-R210 PolarHBondContact OE2-NH2 2.99Å; E187-V211 PolarHBondContact O-N 3.42Å; E187-T240 HydrophobicContact CB-CG2 4.04Å
188	I	98.8	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	175.5	-55.3	179.6	0	0	0	107.7	V117 V177 L180 C186 V190 F201 V211 L213	V117-I188 HydrophobicContact CG1-CD1 4.22Å; V117-I188 HydrophobicContact CG2-CD1 4.5Å; V177-I188 HydrophobicContact CG1-CB 3.74Å; V177-I188 HydrophobicContact CG1-CD1 4.05Å; V177-I188 HydrophobicContact CG1-CG1 4.46Å; V177-I188 HydrophobicContact CG1-CG2 3.61Å; L180-I188 HydrophobicContact CB-CD1 4.22Å; C186-I188 PolarHBondContact O-N 2.97Å; I188-V190 HydrophobicContact CG2-CG2 4.32Å; I188-F201 HydrophobicContact CB-CB 4.42Å; I188-F201 PolarHBondContact N-O 3.38Å; I188-F201 WeakPolarHBondContact O-CD2 3.16Å; I188-F201 PolarHBondContact O-N 3.37Å; I188-V211 HydrophobicContact CB-CG2 4.21Å; I188-V211 HydrophobicContact CG1-CG2 3.76Å; I188-V211 HydrophobicContact CG2-CG2 4.18Å; I188-L213 HydrophobicContact CG2-CD1 4.04Å; I188-L213 HydrophobicContact CG2-CG 4.14Å
189	C	98.8	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.5	178.2	-64.5	0	0	0	0	109.3	V198 V211 L212 L213 L246	C189-V198 HydrophobicContact CB-CG1 3.78Å; C189-V211 PolarHBondContact N-O 3.37Å; C189-L212 HydrophobicContact CB-CG 4.27Å; C189-L212 WeakPolarHBondContact O-CA 3.2Å; C189-L213 PolarHBondContact O-N 2.85Å; C189-L246 HydrophobicContact CB-CD2 4.09Å
190	V	98.7	Very high	94.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.6	176.8	-178	0	0	0	0	108.7	V177 I188 V198 D199 F201 L213 Y220	V177-V190 HydrophobicContact CG1-CG2 4.27Å; I188-V190 HydrophobicContact CG2-CG2 4.32Å; V190-V198 WeakPolarHBondContact O-CA 3.4Å; V190-D199 HydrophobicContact CB-CB 4.5Å; V190-D199 PolarHBondContact N-O 3.39Å; V190-D199 PolarHBondContact O-N 3.04Å; V190-F201 HydrophobicContact CB-CE2 4.37Å; V190-F201 HydrophobicContact CG2-CD2 4.18Å; V190-F201 HydrophobicContact CG2-CE2 3.87Å; V190-L213 HydrophobicContact CG2-CB 4.42Å; V190-L213 HydrophobicContact CG2-CD1 4.31Å; V190-Y220 HydrophobicContact CG1-CD1 4.4Å; V190-Y220 HydrophobicContact CG1-CE1 3.86Å
191	V	97.6	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.2	177.6	-165.3	0	0	0	0	109.7	V198 L213 I214 Y215 A249 L250 A253	V191-V198 HydrophobicContact CG1-CG2 4.34Å; V191-V198 HydrophobicContact CG2-CG1 4.4Å; V191-V198 HydrophobicContact CG2-CG2 4.07Å; V191-L213 PolarHBondContact N-O 2.88Å; V191-I214 CarbonylContact O-C 3.59Å; V191-I214 WeakPolarHBondContact O-CA 3.33Å; V191-Y215 PolarHBondContact O-N 3.34Å; V191-A249 HydrophobicContact CG2-CB 3.67Å; V191-L250 HydrophobicContact CG1-CD2 4.33Å; V191-A253 HydrophobicContact CG1-CB 3.41Å; V191-A253 VanDerWaalsContact CG1-CB 3.41Å
192	D	91.9	Very high	94.7	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.5	-178.5	175	-45.9	0	0	0	109.2	Q194 T195 V196 R197 Y215	D192-Q194 VanDerWaalsContact C-N 3.33Å; D192-Q194 PolarHBondContact O-N 2.89Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.24Å; D192-Q194 PolarHBondContact OD1-N 3.18Å; D192-T195 PolarHBondContact OD1-N 3.36Å; D192-T195 PolarHBondContact OD1-OG1 3.31Å; D192-T195 PolarHBondContact OD2-OG1 2.89Å; D192-V196 VanDerWaalsContact O-CA 3.25Å; D192-V196 WeakPolarHBondContact O-CA 3.29Å; D192-V196 PolarHBondContact O-N 3.14Å; D192-R197 HydrophobicContact CB-CG 4.23Å; D192-R197 PolarHBondContact N-O 2.92Å; D192-R197 IonicContact OD2-CZ 3.21Å; D192-R197 IonicContact OD2-NH1 2.8Å; D192-R197 PolarHBondContact OD2-NH1 2.78Å; D192-R197 IonicContact OD2-NH2 3.03Å; D192-R197 PolarHBondContact OD2-NH2 3.36Å; D192-Y215 WeakPolarHBondContact CA-O 3.23Å
193	T	88.9	Confident	94.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.9	-177.1	64.8	0	0	0	0	112.8	I214 Y215 D216 A253 A256 R257 Q261 F262	T193-I214 HydrophobicContact CG2-CD1 3.54Å; T193-I214 HydrophobicContact CG2-CG1 3.38Å; T193-Y215 PolarHBondContact N-O 2.87Å; T193-Y215 PolarHBondContact OG1-O 3.37Å; T193-D216 WeakPolarHBondContact OG1-CA 3.46Å; T193-A253 HydrophobicContact CG2-CB 4.34Å; T193-A256 HydrophobicContact CG2-CB 3.96Å; T193-R257 VanDerWaalsContact O-CB 3.3Å; T193-R257 WeakPolarHBondContact O-CB 3.24Å; T193-Q261 PolarHBondContact OG1-O 3.4Å; T193-F262 WeakPolarHBondContact OG1-CB 3.4Å
194	Q	79.9	Confident	94.4	Very high	45 Å²	45	45.8 Å²	45.8	21%	0.21	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-42.8	-179.7	-175	180	7.5	0	0	110.8	D192 R257 F262 D264	D192-Q194 VanDerWaalsContact C-N 3.33Å; D192-Q194 PolarHBondContact O-N 2.89Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.24Å; D192-Q194 PolarHBondContact OD1-N 3.18Å; Q194-R257 WeakPolarHBondContact O-CD 3.17Å; Q194-F262 HydrophobicContact CB-CB 4.4Å; Q194-F262 HydrophobicContact CB-CD2 4.03Å; Q194-F262 HydrophobicContact CB-CG 4.29Å; Q194-F262 HydrophobicContact CG-CD2 3.78Å; Q194-F262 HydrophobicContact CG-CE2 3.99Å; Q194-F262 HydrophobicContact CG-CG 4.49Å; Q194-D264 PolarHBondContact NE2-OD1 3.29Å; Q194-D264 PolarHBondContact NE2-OD2 3.46Å
195	T	84.7	Confident	94.2	Very high	61 Å²	61	45.2 Å²	45.2	37%	0.374	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-15	-173.5	60.7	0	0	0	0	114.2	D192 R197	D192-T195 PolarHBondContact OD1-N 3.36Å; D192-T195 PolarHBondContact OD1-OG1 3.31Å; D192-T195 PolarHBondContact OD2-OG1 2.89Å; T195-R197 VanDerWaalsContact C-N 3.32Å; T195-R197 WeakPolarHBondContact OG1-CG 3.31Å; T195-R197 PolarHBondContact OG1-NH1 3.43Å
196	V	90.1	Very high	94.2	Very high	34 Å²	34	41 Å²	41	21%	0.206	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	50.3	-175.7	-169.1	0	0	0	0	110.3	D192 L250 D254 R257	D192-V196 VanDerWaalsContact O-CA 3.25Å; D192-V196 WeakPolarHBondContact O-CA 3.29Å; D192-V196 PolarHBondContact O-N 3.14Å; V196-L250 HydrophobicContact CG1-CD2 4Å; V196-L250 WeakPolarHBondContact O-CD2 3.44Å; V196-D254 HydrophobicContact CG1-CB 4.04Å; V196-D254 HydrophobicContact CG2-CB 4.33Å; V196-R257 HydrophobicContact CG2-CB 4.16Å; V196-R257 VanDerWaalsContact CG2-NE 3.33Å
197	R	91.8	Very high	94.2	Very high	104 Å²	104	42.5 Å²	42.5	39%	0.392	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.6	172.5	82.4	-174	-175.1	-89.3	-12.8	109.8	D192 T195 D199	D192-R197 HydrophobicContact CB-CG 4.23Å; D192-R197 PolarHBondContact N-O 2.92Å; D192-R197 IonicContact OD2-CZ 3.21Å; D192-R197 IonicContact OD2-NH1 2.8Å; D192-R197 PolarHBondContact OD2-NH1 2.78Å; D192-R197 IonicContact OD2-NH2 3.03Å; D192-R197 PolarHBondContact OD2-NH2 3.36Å; T195-R197 VanDerWaalsContact C-N 3.32Å; T195-R197 WeakPolarHBondContact OG1-CG 3.31Å; T195-R197 PolarHBondContact OG1-NH1 3.43Å; R197-D199 IonicContact CZ-OD1 3.8Å; R197-D199 IonicContact CZ-OD2 3.48Å; R197-D199 IonicContact NE-OD1 2.89Å; R197-D199 PolarHBondContact NE-OD1 3.05Å; R197-D199 IonicContact NE-OD2 3.34Å; R197-D199 PolarHBondContact NE-OD2 3.11Å; R197-D199 IonicContact NH2-OD1 3.84Å; R197-D199 IonicContact NH2-OD2 2.83Å; R197-D199 PolarHBondContact NH2-OD2 3.46Å
198	V	95.8	Very high	94.1	Very high	34 Å²	34	49 Å²	49	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119	171.5	-172.8	0	0	0	0	108.6	C189 V190 V191 R200 L246 L250	C189-V198 HydrophobicContact CB-CG1 3.78Å; V190-V198 WeakPolarHBondContact O-CA 3.4Å; V191-V198 HydrophobicContact CG1-CG2 4.34Å; V191-V198 HydrophobicContact CG2-CG1 4.4Å; V191-V198 HydrophobicContact CG2-CG2 4.07Å; V198-R200 HydrophobicContact CG1-CG 3.88Å; V198-L246 HydrophobicContact CG1-CD2 4.34Å; V198-L250 HydrophobicContact CG2-CD1 4.2Å; V198-L250 HydrophobicContact CG2-CD2 3.73Å; V198-L250 HydrophobicContact CG2-CG 3.79Å
199	D	96.6	Very high	94	Very high	52 Å²	52	54.9 Å²	54.9	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.9	170.1	-62.9	-27.7	0	0	0	107.8	V190 R197 F201	V190-D199 HydrophobicContact CB-CB 4.5Å; V190-D199 PolarHBondContact N-O 3.39Å; V190-D199 PolarHBondContact O-N 3.04Å; R197-D199 IonicContact CZ-OD1 3.8Å; R197-D199 IonicContact CZ-OD2 3.48Å; R197-D199 IonicContact NE-OD1 2.89Å; R197-D199 PolarHBondContact NE-OD1 3.05Å; R197-D199 IonicContact NE-OD2 3.34Å; R197-D199 PolarHBondContact NE-OD2 3.11Å; R197-D199 IonicContact NH2-OD1 3.84Å; R197-D199 IonicContact NH2-OD2 2.83Å; R197-D199 PolarHBondContact NH2-OD2 3.46Å; D199-F201 HydrophobicContact CB-CE2 3.95Å
200	R	97.9	Very high	94	Very high	81 Å²	81	54.9 Å²	54.9	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.9	-173.3	-60.8	176.1	66.3	-177.1	-0.2	111	E187 V198 E203	E187-R200 IonicContact OE1-CZ 3.19Å; E187-R200 IonicContact OE1-NE 3.66Å; E187-R200 PolarHBondContact OE1-NE 2.98Å; E187-R200 IonicContact OE1-NH2 3.84Å; E187-R200 PolarHBondContact OE1-NH2 2.86Å; E187-R200 IonicContact OE2-NH2 2.67Å; V198-R200 HydrophobicContact CG1-CG 3.88Å; R200-E203 HydrophobicContact CB-CB 4.04Å; R200-E203 IonicContact CZ-OE1 3.36Å; R200-E203 IonicContact NE-OE1 2.63Å; R200-E203 IonicContact NH1-OE1 3.11Å; R200-E203 PolarHBondContact NH1-OE1 2.77Å; R200-E203 IonicContact NH2-OE1 3.99Å
201	F	98.1	Very high	94	Very high	38 Å²	38	54.7 Å²	54.7	17%	0.167	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.9	178.2	-64.3	-99	0	0	0	109.8	A174 V177 S181 E187 I188 V190 D199	A174-F201 HydrophobicContact CB-CE1 3.89Å; A174-F201 HydrophobicContact CB-CZ 3.85Å; A174-F201 VanDerWaalsContact O-CE1 3.31Å; A174-F201 WeakPolarHBondContact O-CE1 3.27Å; V177-F201 HydrophobicContact CB-CD1 4.08Å; V177-F201 HydrophobicContact CB-CD2 4.24Å; V177-F201 HydrophobicContact CB-CE1 4.09Å; V177-F201 HydrophobicContact CB-CE2 4.26Å; V177-F201 HydrophobicContact CB-CG 4.15Å; V177-F201 HydrophobicContact CB-CZ 4.19Å; V177-F201 HydrophobicContact CG1-CB 3.96Å; V177-F201 HydrophobicContact CG1-CD1 3.95Å; V177-F201 HydrophobicContact CG1-CD2 3.47Å; V177-F201 VanDerWaalsContact CG1-CD2 3.47Å; V177-F201 HydrophobicContact CG1-CE1 4.32Å; V177-F201 HydrophobicContact CG1-CE2 3.89Å; V177-F201 HydrophobicContact CG1-CG 3.51Å; V177-F201 HydrophobicContact CG1-CZ 4.29Å; S181-F201 PolarHBondContact OG-O 3.16Å; S181-F201 VanDerWaalsContact OG-O 3.12Å; E187-F201 VanDerWaalsContact CA-O 3.29Å; E187-F201 WeakPolarHBondContact CA-O 3.47Å; E187-F201 WeakPolarHBondContact CG-O 3.41Å; I188-F201 HydrophobicContact CB-CB 4.42Å; I188-F201 PolarHBondContact N-O 3.38Å; I188-F201 WeakPolarHBondContact O-CD2 3.16Å; I188-F201 PolarHBondContact O-N 3.37Å; V190-F201 HydrophobicContact CB-CE2 4.37Å; V190-F201 HydrophobicContact CG2-CD2 4.18Å; V190-F201 HydrophobicContact CG2-CE2 3.87Å; D199-F201 HydrophobicContact CB-CE2 3.95Å
202	G	96	Very high	94.1	Very high	19 Å²	19	54.7 Å²	54.7	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	18.5	-178	0	0	0	0	0	115	D204 A205	G202-D204 PolarHBondContact O-N 3.03Å; G202-A205 WeakPolarHBondContact O-CB 3.49Å; G202-A205 PolarHBondContact O-N 3.14Å
203	E	94.8	Very high	94.4	Very high	114 Å²	114	54.4 Å²	54.4	53%	0.533	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.7	179.7	175.4	173.4	-153.1	0	0	113.2	R200	R200-E203 HydrophobicContact CB-CB 4.04Å; R200-E203 IonicContact CZ-OE1 3.36Å; R200-E203 IonicContact NE-OE1 2.63Å; R200-E203 IonicContact NH1-OE1 3.11Å; R200-E203 PolarHBondContact NH1-OE1 2.77Å; R200-E203 IonicContact NH2-OE1 3.99Å
204	D	92.4	Very high	94.8	Very high	156 Å²	156	54.7 Å²	54.7	83%	0.834	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2	-177.7	63.8	-23.6	0	0	0	113.8	G202 G206	G202-D204 PolarHBondContact O-N 3.03Å; D204-G206 VanDerWaalsContact C-N 3.32Å; D204-G206 PolarHBondContact O-N 2.8Å
205	A	92.5	Very high	95.6	Very high	49 Å²	49	55 Å²	55	41%	0.405	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.4	-174.9	0	0	0	0	0	114.1	G202 Y207	G202-A205 WeakPolarHBondContact O-CB 3.49Å; G202-A205 PolarHBondContact O-N 3.14Å; A205-Y207 VanDerWaalsContact C-N 3.31Å; A205-Y207 HydrophobicContact CB-CD1 4.27Å; A205-Y207 HydrophobicContact CB-CD2 3.86Å; A205-Y207 HydrophobicContact CB-CE1 3.88Å; A205-Y207 HydrophobicContact CB-CE2 3.47Å; A205-Y207 VanDerWaalsContact CB-CE2 3.47Å; A205-Y207 HydrophobicContact CB-CG 4.24Å; A205-Y207 VanDerWaalsContact CB-CZ 3.45Å; A205-Y207 PolarHBondContact O-N 2.75Å
206	G	96	Very high	95.8	Very high	54 Å²	54	53 Å²	53	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	20.6	179.2	0	0	0	0	0	114.5	D204 Q208	D204-G206 VanDerWaalsContact C-N 3.32Å; D204-G206 PolarHBondContact O-N 2.8Å; G206-Q208 PolarHBondContact O-NE2 2.8Å
207	Y	97.3	Very high	95.6	Very high	39 Å²	39	51.5 Å²	51.5	15%	0.153	27%	0.266	C	S	.	.			trans	-61.8	149.7	174.8	-58.2	-40.3	0	0	0	111.7	K182 Q185 C186 A205 T240	K182-Y207 WeakPolarHBondContact CA-OH 3.24Å; Q185-Y207 VanDerWaalsContact C-CD1 3.41Å; Q185-Y207 VanDerWaalsContact CA-CE1 3.43Å; Q185-Y207 HydrophobicContact CB-CD1 3.95Å; Q185-Y207 HydrophobicContact CB-CE1 3.72Å; Q185-Y207 HydrophobicContact CG-CE1 4.22Å; Q185-Y207 WeakPolarHBondContact O-CD1 3.11Å; C186-Y207 VanDerWaalsContact C-CD2 3.47Å; A205-Y207 VanDerWaalsContact C-N 3.31Å; A205-Y207 HydrophobicContact CB-CD1 4.27Å; A205-Y207 HydrophobicContact CB-CD2 3.86Å; A205-Y207 HydrophobicContact CB-CE1 3.88Å; A205-Y207 HydrophobicContact CB-CE2 3.47Å; A205-Y207 VanDerWaalsContact CB-CE2 3.47Å; A205-Y207 HydrophobicContact CB-CG 4.24Å; A205-Y207 VanDerWaalsContact CB-CZ 3.45Å; A205-Y207 PolarHBondContact O-N 2.75Å; Y207-T240 WeakPolarHBondContact O-CG2 3.19Å; Y207-T240 PolarHBondContact O-OG1 2.63Å
208	Q	97.1	Very high	95.3	Very high	139 Å²	139	49.4 Å²	49.4	65%	0.65	26%	0.262	S	S	*	.	S	Bend	trans	-98.5	-15.8	-178.3	-58.5	-56.9	-54	0	0	112.7	G206 T240	G206-Q208 PolarHBondContact O-NE2 2.8Å; Q208-T240 PolarHBondContact O-N 3.24Å
209	K	97.8	Very high	95.2	Very high	122 Å²	122	48.8 Å²	48.8	53%	0.53	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144	-176.7	-66.2	175.9	176	-175.4	0	110.1	C186 E187 I237 F238 T240	C186-K209 PolarHBondContact SG-O 2.77Å; C186-K209 VanDerWaalsContact SG-O 3.42Å; E187-K209 PolarHBondContact N-O 2.88Å; K209-I237 HydrophobicContact CB-CG2 3.91Å; K209-I237 HydrophobicContact CD-CG2 3.86Å; K209-I237 HydrophobicContact CG-CG2 3.95Å; K209-F238 CarbonylContact C-O 3.56Å; K209-F238 VanDerWaalsContact CA-O 3.27Å; K209-F238 WeakPolarHBondContact CA-O 3.49Å; K209-T240 WeakPolarHBondContact O-CG2 3.36Å
210	R	98.4	Very high	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.1	167.6	68.2	171.6	44	140.8	-1.1	112.1	E187 F238 T240 D242 D243	E187-R210 HydrophobicContact CB-CB 3.93Å; E187-R210 HydrophobicContact CG-CB 4.42Å; E187-R210 CarbonylContact O-C 3.59Å; E187-R210 WeakPolarHBondContact O-CA 3.45Å; E187-R210 IonicContact OE1-NH2 3.62Å; E187-R210 IonicContact OE2-CZ 3.83Å; E187-R210 IonicContact OE2-NE 2.72Å; E187-R210 PolarHBondContact OE2-NE 2.89Å; E187-R210 IonicContact OE2-NH2 2.78Å; E187-R210 PolarHBondContact OE2-NH2 2.99Å; R210-F238 HydrophobicContact CG-CB 3.95Å; R210-F238 PolarHBondContact N-O 2.72Å; R210-F238 PolarHBondContact O-N 2.77Å; R210-T240 HydrophobicContact CB-CG2 4.13Å; R210-T240 PolarHBondContact NH1-O 3.32Å; R210-T240 PolarHBondContact NH2-O 3.5Å; R210-D242 PolarHBondContact NH1-O 2.9Å; R210-D243 IonicContact NH1-OD1 2.64Å
211	V	98.8	Very high	95.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	158.7	169.5	-65.4	0	0	0	0	109.6	V120 V121 E187 I188 C189 I237	V120-V211 HydrophobicContact CB-CB 3.77Å; V120-V211 HydrophobicContact CB-CG1 3.89Å; V120-V211 HydrophobicContact CB-CG2 4.45Å; V120-V211 HydrophobicContact CG2-CB 3.5Å; V120-V211 VanDerWaalsContact CG2-CB 3.5Å; V120-V211 HydrophobicContact CG2-CG1 3.87Å; V120-V211 HydrophobicContact CG2-CG2 3.62Å; V121-V211 HydrophobicContact CG1-CG1 4.42Å; V121-V211 HydrophobicContact CG1-CG2 4.47Å; E187-V211 PolarHBondContact O-N 3.42Å; I188-V211 HydrophobicContact CB-CG2 4.21Å; I188-V211 HydrophobicContact CG1-CG2 3.76Å; I188-V211 HydrophobicContact CG2-CG2 4.18Å; C189-V211 PolarHBondContact N-O 3.37Å; V211-I237 HydrophobicContact CG1-CG1 4.09Å
212	L	98.8	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.6	-174.5	-65.1	91.6	0	0	0	111.3	C189 L223 F238 I245 L246 A249	C189-L212 HydrophobicContact CB-CG 4.27Å; C189-L212 WeakPolarHBondContact O-CA 3.2Å; L212-L223 HydrophobicContact CB-CB 3.88Å; L212-L223 HydrophobicContact CB-CD1 4.09Å; L212-L223 HydrophobicContact CB-CG 4.37Å; L212-L223 PolarHBondContact O-N 2.92Å; L212-F238 HydrophobicContact CD1-CD2 3.26Å; L212-F238 HydrophobicContact CD1-CE2 3.44Å; L212-F238 VanDerWaalsContact CD1-CE2 3.44Å; L212-F238 HydrophobicContact CD1-CG 4.22Å; L212-I245 HydrophobicContact CD1-CG1 3.78Å; L212-I245 HydrophobicContact CD1-CG2 4.08Å; L212-I245 HydrophobicContact CD2-CG1 4.13Å; L212-I245 HydrophobicContact CD2-CG2 4.44Å; L212-L246 HydrophobicContact CD2-CD2 4.29Å; L212-A249 HydrophobicContact CD2-CB 3.43Å; L212-A249 VanDerWaalsContact CD2-CB 3.43Å
213	L	98.8	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.7	169.3	-50.8	-176.4	0	0	0	108.9	L113 V117 V120 I188 C189 V190 V191 Y220 D221	L113-L213 HydrophobicContact CD1-CD1 3.98Å; V117-L213 HydrophobicContact CG2-CD1 3.75Å; V120-L213 HydrophobicContact CG1-CD2 4.24Å; V120-L213 HydrophobicContact CG2-CD2 4.01Å; I188-L213 HydrophobicContact CG2-CD1 4.04Å; I188-L213 HydrophobicContact CG2-CG 4.14Å; C189-L213 PolarHBondContact O-N 2.85Å; V190-L213 HydrophobicContact CG2-CB 4.42Å; V190-L213 HydrophobicContact CG2-CD1 4.31Å; V191-L213 PolarHBondContact N-O 2.88Å; L213-Y220 HydrophobicContact CD1-CD1 4.21Å; L213-D221 CarbonylContact C-O 3.52Å; L213-D221 WeakPolarHBondContact CA-O 3.47Å
214	I	98.3	Very high	95.5	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.8	167.5	-166.2	166.7	0	0	0	108.9	R103 V191 T193 Y220 D221 L223	R103-I214 HydrophobicContact CB-CG2 4.47Å; R103-I214 HydrophobicContact CG-CG2 3.96Å; V191-I214 CarbonylContact O-C 3.59Å; V191-I214 WeakPolarHBondContact O-CA 3.33Å; T193-I214 HydrophobicContact CG2-CD1 3.54Å; T193-I214 HydrophobicContact CG2-CG1 3.38Å; I214-Y220 WeakPolarHBondContact O-CA 3.38Å; I214-D221 HydrophobicContact CG2-CB 3.76Å; I214-D221 PolarHBondContact N-O 3.02Å; I214-D221 PolarHBondContact O-N 3.2Å; I214-L223 HydrophobicContact CB-CD1 4.26Å; I214-L223 HydrophobicContact CB-CD2 3.86Å; I214-L223 HydrophobicContact CB-CG 4.08Å; I214-L223 HydrophobicContact CD1-CD2 4.44Å; I214-L223 HydrophobicContact CG2-CD2 3.77Å; I214-L223 HydrophobicContact CG2-CG 4.35Å
215	Y	96.3	Very high	95.7	Very high	51 Å²	51	30.6 Å²	30.6	20%	0.2	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.4	-175.7	173.4	-117.9	0	0	0	110.4	V191 D192 T193 G217 H219 Y220	V191-Y215 PolarHBondContact O-N 3.34Å; D192-Y215 WeakPolarHBondContact CA-O 3.23Å; T193-Y215 PolarHBondContact N-O 2.87Å; T193-Y215 PolarHBondContact OG1-O 3.37Å; Y215-G217 VanDerWaalsContact CE2-C 3.42Å; Y215-G217 WeakPolarHBondContact OH-CA 3.22Å; Y215-G217 PolarHBondContact OH-O 2.64Å; Y215-H219 WeakPolarHBondContact CA-O 3.4Å; Y215-H219 WeakPolarHBondContact CD2-O 3.23Å; Y215-Y220 HydrophobicContact CD2-CD1 4.02Å; Y215-Y220 AromaticContact CD2-CD2 3.92Å; Y215-Y220 HydrophobicContact CD2-CD2 3.92Å; Y215-Y220 AromaticContact CD2-CE1 3.75Å; Y215-Y220 HydrophobicContact CD2-CE1 3.75Å; Y215-Y220 AromaticContact CD2-CE2 3.63Å; Y215-Y220 HydrophobicContact CD2-CE2 3.63Å; Y215-Y220 HydrophobicContact CD2-CG 4.1Å; Y215-Y220 AromaticContact CD2-CZ 3.53Å; Y215-Y220 HydrophobicContact CE2-CD2 4.29Å; Y215-Y220 AromaticContact CE2-CE2 3.72Å; Y215-Y220 HydrophobicContact CE2-CE2 3.72Å; Y215-Y220 AromaticContact CE2-CZ 3.84Å; Y215-Y220 HydrophobicContact CG-CD1 4.3Å; Y215-Y220 AromaticContact CG-CE1 3.89Å; Y215-Y220 HydrophobicContact CG-CE1 3.89Å; Y215-Y220 AromaticContact CG-CZ 4Å
216	D	88.6	Confident	95.6	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.102	16%	0.158	C	C	.	.			trans	-110.3	8	-172.7	73.7	7.2	0	0	0	114.8	R103 T193 I218 H219 T263	R103-D216 IonicContact NH2-OD2 2.62Å; T193-D216 WeakPolarHBondContact OG1-CA 3.46Å; D216-I218 WeakPolarHBondContact OD1-CG1 3.43Å; D216-I218 PolarHBondContact OD1-N 2.62Å; D216-H219 PolarHBondContact N-O 2.93Å; D216-H219 PolarHBondContact OD1-N 3.48Å; D216-T263 PolarHBondContact O-N 3.05Å
217	G	85.8	Confident	95.2	Very high	3 Å²	3	31 Å²	31	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	104.3	-22	-175.5	0	0	0	0	0	113.6	Y215	Y215-G217 VanDerWaalsContact CE2-C 3.42Å; Y215-G217 WeakPolarHBondContact OH-CA 3.22Å; Y215-G217 PolarHBondContact OH-O 2.64Å
218	I	85.2	Confident	94.4	Very high	61 Å²	61	31 Å²	31	31%	0.313	15%	0.149	S	C	.	.	S	Bend	trans	-138.3	-20.2	176.8	58.8	170.1	0	0	0	113.8	W171 D216 T263 I265	W171-I218 HydrophobicContact CH2-CB 4.02Å; W171-I218 HydrophobicContact CH2-CG2 4.12Å; W171-I218 HydrophobicContact CZ3-CB 4.02Å; W171-I218 HydrophobicContact CZ3-CG2 4.05Å; D216-I218 WeakPolarHBondContact OD1-CG1 3.43Å; D216-I218 PolarHBondContact OD1-N 2.62Å; I218-T263 HydrophobicContact CD1-CG2 4.09Å; I218-T263 HydrophobicContact CG1-CG2 4.45Å; I218-T263 HydrophobicContact CG2-CG2 4.12Å; I218-I265 HydrophobicContact CG2-CG2 3.46Å; I218-I265 VanDerWaalsContact CG2-CG2 3.46Å
219	H	92.9	Very high	93.4	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.093	16%	0.16	C	C	.	.			trans	-132.9	141.7	-172.2	-170.9	70.9	0	0	0	111.8	P107 C112 Y215 D216 D221	P107-H219 PolarHBondContact O-CE1 2.72Å; C112-H219 WeakPolarHBondContact CB-CE1 3.34Å; C112-H219 WeakPolarHBondContact CB-ND1 3.47Å; C112-H219 PolarHBondContact SG-ND1 3.39Å; Y215-H219 WeakPolarHBondContact CA-O 3.4Å; Y215-H219 WeakPolarHBondContact CD2-O 3.23Å; D216-H219 PolarHBondContact N-O 2.93Å; D216-H219 PolarHBondContact OD1-N 3.48Å; H219-D221 IonicContact CD2-OD1 3.53Å; H219-D221 IonicContact CD2-OD2 3.49Å; H219-D221 PolarHBondContact CD2-OD2 3.02Å; H219-D221 IonicContact NE2-OD1 2.75Å; H219-D221 PolarHBondContact NE2-OD1 2.98Å; H219-D221 IonicContact NE2-OD2 2.84Å; H219-D221 PolarHBondContact NE2-OD2 2.74Å
220	Y	97.9	Very high	92.7	Very high	22 Å²	22	30 Å²	30	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.9	174.3	-69.2	-93.3	0	0	0	109.8	V106 L113 S116 V190 L213 I214 Y215	V106-Y220 WeakPolarHBondContact CG2-O 3.23Å; L113-Y220 HydrophobicContact CB-CD2 3.9Å; L113-Y220 HydrophobicContact CB-CE2 4.32Å; L113-Y220 HydrophobicContact CB-CG 4.27Å; L113-Y220 HydrophobicContact CD1-CD1 3.85Å; L113-Y220 HydrophobicContact CD1-CD2 4.13Å; L113-Y220 HydrophobicContact CD1-CE1 4Å; L113-Y220 HydrophobicContact CD1-CE2 4.28Å; L113-Y220 HydrophobicContact CD1-CG 3.91Å; S116-Y220 PolarHBondContact OG-O 3.21Å; S116-Y220 VanDerWaalsContact OG-O 3.05Å; V190-Y220 HydrophobicContact CG1-CD1 4.4Å; V190-Y220 HydrophobicContact CG1-CE1 3.86Å; L213-Y220 HydrophobicContact CD1-CD1 4.21Å; I214-Y220 WeakPolarHBondContact O-CA 3.38Å; Y215-Y220 HydrophobicContact CD2-CD1 4.02Å; Y215-Y220 AromaticContact CD2-CD2 3.92Å; Y215-Y220 HydrophobicContact CD2-CD2 3.92Å; Y215-Y220 AromaticContact CD2-CE1 3.75Å; Y215-Y220 HydrophobicContact CD2-CE1 3.75Å; Y215-Y220 AromaticContact CD2-CE2 3.63Å; Y215-Y220 HydrophobicContact CD2-CE2 3.63Å; Y215-Y220 HydrophobicContact CD2-CG 4.1Å; Y215-Y220 AromaticContact CD2-CZ 3.53Å; Y215-Y220 HydrophobicContact CE2-CD2 4.29Å; Y215-Y220 AromaticContact CE2-CE2 3.72Å; Y215-Y220 HydrophobicContact CE2-CE2 3.72Å; Y215-Y220 AromaticContact CE2-CZ 3.84Å; Y215-Y220 HydrophobicContact CG-CD1 4.3Å; Y215-Y220 AromaticContact CG-CE1 3.89Å; Y215-Y220 HydrophobicContact CG-CE1 3.89Å; Y215-Y220 AromaticContact CG-CZ 4Å
221	D	98.4	Very high	91.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.1	167	-82.9	-53.3	0	0	0	111.4	R103 R104 V105 V106 S116 L213 I214 H219	R103-D221 HydrophobicContact CG-CB 3.79Å; R103-D221 IonicContact CZ-OD2 3.48Å; R103-D221 IonicContact NE-OD2 2.81Å; R103-D221 PolarHBondContact NE-OD2 2.9Å; R103-D221 IonicContact NH2-OD2 3.39Å; R103-D221 PolarHBondContact NH2-OD2 3.39Å; R104-D221 WeakPolarHBondContact O-CB 3.26Å; R104-D221 VanDerWaalsContact O-OD1 3.12Å; V105-D221 VanDerWaalsContact CA-OD1 3.23Å; V105-D221 WeakPolarHBondContact CA-OD1 3.44Å; V106-D221 WeakPolarHBondContact CG2-OD1 3.28Å; V106-D221 PolarHBondContact N-OD1 3.39Å; S116-D221 WeakPolarHBondContact OG-CA 3.44Å; L213-D221 CarbonylContact C-O 3.52Å; L213-D221 WeakPolarHBondContact CA-O 3.47Å; I214-D221 HydrophobicContact CG2-CB 3.76Å; I214-D221 PolarHBondContact N-O 3.02Å; I214-D221 PolarHBondContact O-N 3.2Å; H219-D221 IonicContact CD2-OD1 3.53Å; H219-D221 IonicContact CD2-OD2 3.49Å; H219-D221 PolarHBondContact CD2-OD2 3.02Å; H219-D221 IonicContact NE2-OD1 2.75Å; H219-D221 PolarHBondContact NE2-OD1 2.98Å; H219-D221 IonicContact NE2-OD2 2.84Å; H219-D221 PolarHBondContact NE2-OD2 2.74Å
222	P	98.6	Very high	91.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.5	170.8	30.3	-35.3	0	0	0	111.9	R104 V106 S116 Y119 V120	R104-P222 HydrophobicContact CB-CG 4.1Å; R104-P222 HydrophobicContact CG-CG 4.36Å; R104-P222 PolarHBondContact N-O 3.35Å; R104-P222 VanDerWaalsContact O-CD 3.22Å; R104-P222 WeakPolarHBondContact O-CD 3.24Å; V106-P222 HydrophobicContact CG1-CG 3.99Å; S116-P222 VanDerWaalsContact OG-CD 3.31Å; S116-P222 WeakPolarHBondContact OG-CD 3.21Å; Y119-P222 HydrophobicContact CD1-CB 3.49Å; Y119-P222 VanDerWaalsContact CD1-CB 3.49Å; Y119-P222 HydrophobicContact CD1-CG 3.6Å; Y119-P222 HydrophobicContact CE1-CB 4.3Å; Y119-P222 HydrophobicContact CE1-CG 4.29Å; Y119-P222 HydrophobicContact CG-CB 4.15Å; Y119-P222 HydrophobicContact CG-CG 3.95Å; V120-P222 HydrophobicContact CG1-CB 3.47Å; V120-P222 VanDerWaalsContact CG1-CB 3.47Å
223	L	98.6	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.4	166.7	-62.6	-174.5	0	0	0	110.2	L101 A102 R103 L212 I214 A249 L252	L101-L223 HydrophobicContact CD1-CB 3.99Å; L101-L223 HydrophobicContact CD2-CD1 4.2Å; L101-L223 HydrophobicContact CG-CB 4.41Å; A102-L223 WeakPolarHBondContact O-CA 3.26Å; R103-L223 HydrophobicContact CB-CD2 4.02Å; L212-L223 HydrophobicContact CB-CB 3.88Å; L212-L223 HydrophobicContact CB-CD1 4.09Å; L212-L223 HydrophobicContact CB-CG 4.37Å; L212-L223 PolarHBondContact O-N 2.92Å; I214-L223 HydrophobicContact CB-CD1 4.26Å; I214-L223 HydrophobicContact CB-CD2 3.86Å; I214-L223 HydrophobicContact CB-CG 4.08Å; I214-L223 HydrophobicContact CD1-CD2 4.44Å; I214-L223 HydrophobicContact CG2-CD2 3.77Å; I214-L223 HydrophobicContact CG2-CG 4.35Å; L223-A249 HydrophobicContact CD1-CB 3.86Å; L223-L252 HydrophobicContact CD1-CD1 4.44Å; L223-L252 HydrophobicContact CD2-CD1 4.18Å
224	Q	97.8	Very high	90.4	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.033	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.7	-178.5	77	-173.3	36.2	0	0	110.9	L101 A102 Y119 E226 P234 T236	L101-Q224 CarbonylContact C-O 3.44Å; L101-Q224 WeakPolarHBondContact CA-O 3.27Å; A102-Q224 PolarHBondContact N-O 2.77Å; A102-Q224 PolarHBondContact O-N 3.23Å; Y119-Q224 HydrophobicContact CE1-CB 4.46Å; Y119-Q224 VanDerWaalsContact CZ-OE1 3.24Å; Y119-Q224 PolarHBondContact OH-OE1 2.83Å; Q224-E226 PolarHBondContact NE2-OE2 2.94Å; Q224-P234 HydrophobicContact CB-CB 3.97Å; Q224-P234 HydrophobicContact CG-CB 3.92Å; Q224-T236 HydrophobicContact CB-CG2 3.86Å
225	K	95.4	Very high	90.3	Very high	49 Å²	49	52.9 Å²	52.9	21%	0.213	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.5	172.7	-170.8	172.4	-175	168	0	108.6	P99 V100 P234 Q235 F238 I245	P99-K225 HydrophobicContact CB-CD 4.37Å; P99-K225 HydrophobicContact CB-CG 3.91Å; V100-K225 CarbonylContact O-C 3.43Å; V100-K225 VanDerWaalsContact O-CA 3.31Å; V100-K225 WeakPolarHBondContact O-CA 3.29Å; K225-P234 CarbonylContact O-C 3.4Å; K225-P234 WeakPolarHBondContact O-CA 3.37Å; K225-Q235 HydrophobicContact CB-CB 4.28Å; K225-Q235 PolarHBondContact N-O 3.37Å; K225-Q235 PolarHBondContact O-N 2.85Å; K225-F238 HydrophobicContact CB-CE1 3.83Å; K225-F238 HydrophobicContact CB-CZ 3.91Å; K225-F238 HydrophobicContact CD-CE1 4.13Å; K225-I245 HydrophobicContact CD-CD1 4.32Å
226	E	91.8	Very high	90.4	Very high	67 Å²	67	50.5 Å²	50.5	31%	0.313	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.8	-175.8	64.3	-177.7	-165.3	0	0	110.8	P99 V100 A102 Q224 P228 P234	P99-E226 CarbonylContact C-O 3.59Å; P99-E226 VanDerWaalsContact CA-O 3.25Å; P99-E226 WeakPolarHBondContact CA-O 3.43Å; V100-E226 HydrophobicContact CG2-CG 4.49Å; V100-E226 PolarHBondContact N-O 2.67Å; V100-E226 PolarHBondContact O-N 2.72Å; A102-E226 HydrophobicContact CB-CG 4.18Å; Q224-E226 PolarHBondContact NE2-OE2 2.94Å; E226-P228 WeakPolarHBondContact O-CD 3.47Å; E226-P234 HydrophobicContact CB-CB 4.23Å
227	V	87.4	Confident	90.8	Very high	43 Å²	43	52 Å²	52	26%	0.261	28%	0.28	S	S	.	.			trans	-88.8	116	166.1	176.1	0	0	0	0	106.6	L97 P99 Q229 S230	L97-V227 HydrophobicContact CB-CG1 4.05Å; L97-V227 VanDerWaalsContact O-CG1 3.3Å; L97-V227 WeakPolarHBondContact O-CG1 3.21Å; P99-V227 HydrophobicContact CB-CG2 3.98Å; P99-V227 HydrophobicContact CG-CG2 3.7Å; V227-Q229 PolarHBondContact O-N 3.12Å; V227-S230 WeakPolarHBondContact O-CB 3.33Å; V227-S230 PolarHBondContact O-N 3.18Å
228	P	79.5	Confident	91.4	Very high	39 Å²	39	52.1 Å²	52.1	25%	0.253	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	139.7	178.1	-23.7	30.7	0	0	0	110.4	L97 V100 E226 S230	L97-P228 HydrophobicContact CB-CB 4.38Å; L97-P228 HydrophobicContact CB-CG 4.46Å; L97-P228 HydrophobicContact CD1-CB 4.2Å; L97-P228 WeakPolarHBondContact CD1-O 3.45Å; L97-P228 HydrophobicContact CD2-CB 4.09Å; L97-P228 HydrophobicContact CD2-CG 4.37Å; L97-P228 HydrophobicContact CG-CB 4.43Å; V100-P228 HydrophobicContact CG2-CG 3.84Å; E226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-S230 PolarHBondContact O-N 3.26Å; P228-S230 VanDerWaalsContact O-N 3.15Å
229	Q	76.4	Confident	91.9	Very high	190 Å²	190	51.6 Å²	51.6	89%	0.888	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	23.9	176.7	-49.9	176.6	-18.5	0	0	114.7	L97 V227	L97-Q229 HydrophobicContact CD1-CB 3.83Å; L97-Q229 HydrophobicContact CD1-CG 4.06Å; V227-Q229 PolarHBondContact O-N 3.12Å
230	S	82.6	Confident	92	Very high	50 Å²	50	51.9 Å²	51.9	35%	0.35	28%	0.284	S	S	.	.			trans	-110.7	147.9	172.9	-172.4	0	0	0	0	111.4	V227 P228 T232	V227-S230 WeakPolarHBondContact O-CB 3.33Å; V227-S230 PolarHBondContact O-N 3.18Å; P228-S230 PolarHBondContact O-N 3.26Å; P228-S230 VanDerWaalsContact O-N 3.15Å; S230-T232 PolarHBondContact O-N 2.84Å; S230-T232 WeakPolarHBondContact OG-CB 3.4Å; S230-T232 PolarHBondContact OG-N 2.75Å; S230-T232 PolarHBondContact OG-OG1 2.95Å
231	D	82.1	Confident	91.7	Very high	170 Å²	170	56 Å²	56	91%	0.909	31%	0.312	S	S	*	.			trans	-80.9	1.7	169.9	-63.1	-38.9	0	0	0	112.7
232	T	83.5	Confident	91.3	Very high	90 Å²	90	57.9 Å²	57.9	55%	0.552	32%	0.322	S	S	*	.	S	Bend	trans	-64.4	128.1	177.2	-51.7	0	0	0	0	109.3	S230	S230-T232 PolarHBondContact O-N 2.84Å; S230-T232 WeakPolarHBondContact OG-CB 3.4Å; S230-T232 PolarHBondContact OG-N 2.75Å; S230-T232 PolarHBondContact OG-OG1 2.95Å
233	P	87.4	Confident	90.7	Very high	105 Å²	105	63 Å²	63	68%	0.682	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-54.8	139.6	175.5	-25.6	34.2	0	0	0	111.2
234	P	93.8	Very high	90.3	Very high	30 Å²	30	67.2 Å²	67.2	20%	0.195	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-67.4	148.6	179.1	30.1	-35.3	0	0	0	110.6	Y119 Q224 K225 E226	Y119-P234 WeakPolarHBondContact OH-CG 3.35Å; Q224-P234 HydrophobicContact CB-CB 3.97Å; Q224-P234 HydrophobicContact CG-CB 3.92Å; K225-P234 CarbonylContact O-C 3.4Å; K225-P234 WeakPolarHBondContact O-CA 3.37Å; E226-P234 HydrophobicContact CB-CB 4.23Å
235	Q	96.2	Very high	90	Very high	93 Å²	93	66.9 Å²	66.9	44%	0.435	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-90	122.7	171.3	179.7	-176	12.4	0	0	109.5	K225 I237 F238	K225-Q235 HydrophobicContact CB-CB 4.28Å; K225-Q235 PolarHBondContact N-O 3.37Å; K225-Q235 PolarHBondContact O-N 2.85Å; Q235-I237 WeakPolarHBondContact CG-O 3.41Å; Q235-I237 PolarHBondContact NE2-O 3.1Å; Q235-F238 HydrophobicContact CB-CE1 4.41Å; Q235-F238 HydrophobicContact CG-CD1 4.2Å; Q235-F238 HydrophobicContact CG-CE1 3.78Å; Q235-F238 HydrophobicContact CG-CZ 4.28Å; Q235-F238 VanDerWaalsContact O-CZ 3.23Å; Q235-F238 WeakPolarHBondContact O-CZ 3.37Å
236	T	98	Very high	89.8	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	36%	0.364	C	S	.	.			trans	-114.7	-14.5	177.3	57.4	0	0	0	0	113.7	Y119 V120 G123 G124 Q224 F238	Y119-T236 HydrophobicContact CD1-CG2 4.1Å; Y119-T236 HydrophobicContact CE1-CG2 3.69Å; V120-T236 HydrophobicContact CG1-CG2 4.39Å; V120-T236 WeakPolarHBondContact O-CB 3.37Å; V120-T236 PolarHBondContact O-OG1 3Å; G123-T236 VanDerWaalsContact CA-OG1 3.26Å; G123-T236 WeakPolarHBondContact CA-OG1 3.26Å; G124-T236 PolarHBondContact N-OG1 3.01Å; Q224-T236 HydrophobicContact CB-CG2 3.86Å; T236-F238 VanDerWaalsContact C-CE2 3.45Å; T236-F238 WeakPolarHBondContact O-CD2 3.37Å; T236-F238 VanDerWaalsContact O-CE2 3.23Å; T236-F238 WeakPolarHBondContact O-CE2 3.33Å
237	I	97.8	Very high	89.6	Confident	51 Å²	51	64.5 Å²	64.5	26%	0.262	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.5	-178.5	-54.8	174.9	0	0	0	108.9	V120 K209 V211 Q235	V120-I237 WeakPolarHBondContact O-CG1 3.49Å; K209-I237 HydrophobicContact CB-CG2 3.91Å; K209-I237 HydrophobicContact CD-CG2 3.86Å; K209-I237 HydrophobicContact CG-CG2 3.95Å; V211-I237 HydrophobicContact CG1-CG1 4.09Å; Q235-I237 WeakPolarHBondContact CG-O 3.41Å; Q235-I237 PolarHBondContact NE2-O 3.1Å
238	F	97.6	Very high	89.8	Confident	5 Å²	5	65 Å²	65	2%	0.022	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	164.5	-175.4	-50.3	-86.1	0	0	0	110.6	L101 K209 R210 L212 K225 Q235 T236 I245	L101-F238 HydrophobicContact CD1-CZ 4.43Å; K209-F238 CarbonylContact C-O 3.56Å; K209-F238 VanDerWaalsContact CA-O 3.27Å; K209-F238 WeakPolarHBondContact CA-O 3.49Å; R210-F238 HydrophobicContact CG-CB 3.95Å; R210-F238 PolarHBondContact N-O 2.72Å; R210-F238 PolarHBondContact O-N 2.77Å; L212-F238 HydrophobicContact CD1-CD2 3.26Å; L212-F238 HydrophobicContact CD1-CE2 3.44Å; L212-F238 VanDerWaalsContact CD1-CE2 3.44Å; L212-F238 HydrophobicContact CD1-CG 4.22Å; K225-F238 HydrophobicContact CB-CE1 3.83Å; K225-F238 HydrophobicContact CB-CZ 3.91Å; K225-F238 HydrophobicContact CD-CE1 4.13Å; Q235-F238 HydrophobicContact CB-CE1 4.41Å; Q235-F238 HydrophobicContact CG-CD1 4.2Å; Q235-F238 HydrophobicContact CG-CE1 3.78Å; Q235-F238 HydrophobicContact CG-CZ 4.28Å; Q235-F238 VanDerWaalsContact O-CZ 3.23Å; Q235-F238 WeakPolarHBondContact O-CZ 3.37Å; T236-F238 VanDerWaalsContact C-CE2 3.45Å; T236-F238 WeakPolarHBondContact O-CD2 3.37Å; T236-F238 VanDerWaalsContact O-CE2 3.23Å; T236-F238 WeakPolarHBondContact O-CE2 3.33Å; F238-I245 HydrophobicContact CB-CG2 4.17Å; F238-I245 HydrophobicContact CD1-CB 4.33Å; F238-I245 HydrophobicContact CD1-CD1 3.88Å; F238-I245 HydrophobicContact CD1-CG1 3.77Å; F238-I245 HydrophobicContact CD2-CG1 3.99Å; F238-I245 HydrophobicContact CE1-CD1 3.47Å; F238-I245 VanDerWaalsContact CE1-CD1 3.47Å; F238-I245 HydrophobicContact CE1-CG1 3.79Å; F238-I245 HydrophobicContact CE2-CD1 4.3Å; F238-I245 HydrophobicContact CE2-CG1 3.99Å; F238-I245 HydrophobicContact CG-CB 4.38Å; F238-I245 HydrophobicContact CG-CD1 4.46Å; F238-I245 HydrophobicContact CG-CG1 3.86Å; F238-I245 HydrophobicContact CG-CG2 4.22Å; F238-I245 HydrophobicContact CZ-CD1 3.7Å; F238-I245 HydrophobicContact CZ-CG1 3.89Å
239	S	97.4	Very high	90.5	Very high	49 Å²	49	63.1 Å²	63.1	34%	0.343	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.4	170.2	179.5	0	0	0	0	110.1	T241 D242	S239-T241 PolarHBondContact O-N 3.49Å; S239-T241 VanDerWaalsContact O-N 3.15Å; S239-T241 PolarHBondContact OG-N 2.61Å; S239-T241 VanDerWaalsContact OG-N 3.16Å; S239-T241 PolarHBondContact OG-OG1 2.85Å; S239-D242 WeakPolarHBondContact O-CB 3.46Å; S239-D242 PolarHBondContact O-N 3.46Å
240	T	93.7	Very high	91.2	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.16	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.7	169.2	46.3	0	0	0	0	113.5	E187 Y207 Q208 K209 R210	E187-T240 HydrophobicContact CB-CG2 4.04Å; Y207-T240 WeakPolarHBondContact O-CG2 3.19Å; Y207-T240 PolarHBondContact O-OG1 2.63Å; Q208-T240 PolarHBondContact O-N 3.24Å; K209-T240 WeakPolarHBondContact O-CG2 3.36Å; R210-T240 HydrophobicContact CB-CG2 4.13Å; R210-T240 PolarHBondContact NH1-O 3.32Å; R210-T240 PolarHBondContact NH2-O 3.5Å
241	T	92.9	Very high	91.6	Very high	110 Å²	110	60.8 Å²	60.8	68%	0.675	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.8	174	64.8	0	0	0	0	113.8	S239 D243	S239-T241 PolarHBondContact O-N 3.49Å; S239-T241 VanDerWaalsContact O-N 3.15Å; S239-T241 PolarHBondContact OG-N 2.61Å; S239-T241 VanDerWaalsContact OG-N 3.16Å; S239-T241 PolarHBondContact OG-OG1 2.85Å; T241-D243 PolarHBondContact O-N 3.45Å; T241-D243 VanDerWaalsContact O-N 3.12Å
242	D	89.9	Confident	92	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.214	31%	0.307	C	S	.	.			trans	-79.2	92.2	173.9	-169.1	-19.3	0	0	0	108.8	R210 S239 I244 I245	R210-D242 PolarHBondContact NH1-O 2.9Å; S239-D242 WeakPolarHBondContact O-CB 3.46Å; S239-D242 PolarHBondContact O-N 3.46Å; D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 WeakPolarHBondContact OD1-CB 3.39Å; D242-I244 PolarHBondContact OD1-N 3.37Å; D242-I244 VanDerWaalsContact OD1-N 3.09Å; D242-I245 HydrophobicContact CB-CG2 4.11Å; D242-I245 VanDerWaalsContact O-CG2 3.32Å; D242-I245 WeakPolarHBondContact O-CG2 3.14Å; D242-I245 PolarHBondContact OD1-N 3.07Å
243	D	86.1	Confident	92.3	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	28%	0.281	S	S	*	.	H	α-helix	trans	-80.1	-16.3	174.4	-68.1	-29.2	0	0	0	112.1	R210 T241 L246 A247	R210-D243 IonicContact NH1-OD1 2.64Å; T241-D243 PolarHBondContact O-N 3.45Å; T241-D243 VanDerWaalsContact O-N 3.12Å; D243-L246 PolarHBondContact O-N 2.82Å; D243-A247 PolarHBondContact O-N 2.76Å; D243-A247 VanDerWaalsContact O-N 3.13Å
244	I	88.8	Confident	92.3	Very high	88 Å²	88	47 Å²	47	45%	0.451	26%	0.258	S	S	.	.	H	α-helix	trans	-67.3	-42.2	177.8	-61.9	171.1	0	0	0	109.3	D242 L246 A247 Q248	D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 WeakPolarHBondContact OD1-CB 3.39Å; D242-I244 PolarHBondContact OD1-N 3.37Å; D242-I244 VanDerWaalsContact OD1-N 3.09Å; I244-L246 VanDerWaalsContact C-N 3.27Å; I244-L246 PolarHBondContact O-N 2.77Å; I244-A247 PolarHBondContact O-N 2.8Å; I244-Q248 HydrophobicContact CG2-CG 4.38Å; I244-Q248 WeakPolarHBondContact O-CG 3.1Å; I244-Q248 PolarHBondContact O-N 3.3Å
245	I	92.2	Very high	91.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-34.6	179	-159	67	0	0	0	112.2	L101 L212 K225 F238 D242 Q248 A249	L101-I245 HydrophobicContact CD1-CD1 3.78Å; L101-I245 HydrophobicContact CD1-CG1 4.46Å; L101-I245 HydrophobicContact CD2-CD1 4.1Å; L101-I245 HydrophobicContact CD2-CG1 4.46Å; L101-I245 HydrophobicContact CG-CD1 4.35Å; L212-I245 HydrophobicContact CD1-CG1 3.78Å; L212-I245 HydrophobicContact CD1-CG2 4.08Å; L212-I245 HydrophobicContact CD2-CG1 4.13Å; L212-I245 HydrophobicContact CD2-CG2 4.44Å; K225-I245 HydrophobicContact CD-CD1 4.32Å; F238-I245 HydrophobicContact CB-CG2 4.17Å; F238-I245 HydrophobicContact CD1-CB 4.33Å; F238-I245 HydrophobicContact CD1-CD1 3.88Å; F238-I245 HydrophobicContact CD1-CG1 3.77Å; F238-I245 HydrophobicContact CD2-CG1 3.99Å; F238-I245 HydrophobicContact CE1-CD1 3.47Å; F238-I245 VanDerWaalsContact CE1-CD1 3.47Å; F238-I245 HydrophobicContact CE1-CG1 3.79Å; F238-I245 HydrophobicContact CE2-CD1 4.3Å; F238-I245 HydrophobicContact CE2-CG1 3.99Å; F238-I245 HydrophobicContact CG-CB 4.38Å; F238-I245 HydrophobicContact CG-CD1 4.46Å; F238-I245 HydrophobicContact CG-CG1 3.86Å; F238-I245 HydrophobicContact CG-CG2 4.22Å; F238-I245 HydrophobicContact CZ-CD1 3.7Å; F238-I245 HydrophobicContact CZ-CG1 3.89Å; D242-I245 HydrophobicContact CB-CG2 4.11Å; D242-I245 VanDerWaalsContact O-CG2 3.32Å; D242-I245 WeakPolarHBondContact O-CG2 3.14Å; D242-I245 PolarHBondContact OD1-N 3.07Å; I245-Q248 PolarHBondContact O-N 3.43Å; I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 2.81Å
246	L	90.8	Very high	91.2	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-42.4	175.2	-67.2	-177.5	0	0	0	111.7	C189 V198 L212 D243 I244 Q248 A249 L250	C189-L246 HydrophobicContact CB-CD2 4.09Å; V198-L246 HydrophobicContact CG1-CD2 4.34Å; L212-L246 HydrophobicContact CD2-CD2 4.29Å; D243-L246 PolarHBondContact O-N 2.82Å; I244-L246 VanDerWaalsContact C-N 3.27Å; I244-L246 PolarHBondContact O-N 2.77Å; L246-Q248 VanDerWaalsContact C-N 3.34Å; L246-Q248 PolarHBondContact O-N 2.89Å; L246-A249 PolarHBondContact O-N 3.29Å; L246-L250 PolarHBondContact O-N 2.77Å
247	A	88.8	Confident	90.5	Very high	48 Å²	48	49.8 Å²	49.8	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-44.4	175.6	0	0	0	0	0	111.4	D243 I244 A249 L250 E251	D243-A247 PolarHBondContact O-N 2.76Å; D243-A247 VanDerWaalsContact O-N 3.13Å; I244-A247 PolarHBondContact O-N 2.8Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 2.93Å; A247-L250 PolarHBondContact O-N 2.96Å; A247-E251 WeakPolarHBondContact O-CG 3.44Å; A247-E251 PolarHBondContact O-N 3.19Å
248	Q	91.1	Very high	89.7	Confident	52 Å²	52	55.5 Å²	55.5	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-39.4	175.4	-70.3	-178.4	-38.9	0	0	112.2	L101 I244 I245 L246 E251 L252	L101-Q248 HydrophobicContact CB-CB 4.16Å; L101-Q248 HydrophobicContact CD2-CB 3.84Å; I244-Q248 HydrophobicContact CG2-CG 4.38Å; I244-Q248 WeakPolarHBondContact O-CG 3.1Å; I244-Q248 PolarHBondContact O-N 3.3Å; I245-Q248 PolarHBondContact O-N 3.43Å; L246-Q248 VanDerWaalsContact C-N 3.34Å; L246-Q248 PolarHBondContact O-N 2.89Å; Q248-E251 PolarHBondContact O-N 2.8Å; Q248-L252 PolarHBondContact O-N 3.06Å
249	A	94.1	Very high	88.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.4	-37.8	179.1	0	0	0	0	0	112.2	L101 V191 L212 L223 I245 L246 A247 L252 A253	L101-A249 HydrophobicContact CD2-CB 3.69Å; V191-A249 HydrophobicContact CG2-CB 3.67Å; L212-A249 HydrophobicContact CD2-CB 3.43Å; L212-A249 VanDerWaalsContact CD2-CB 3.43Å; L223-A249 HydrophobicContact CD1-CB 3.86Å; I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 2.81Å; L246-A249 PolarHBondContact O-N 3.29Å; A247-A249 VanDerWaalsContact C-N 3.31Å; A247-A249 PolarHBondContact O-N 2.93Å; A249-L252 PolarHBondContact O-N 2.79Å; A249-A253 PolarHBondContact O-N 2.82Å
250	L	91.1	Very high	87.9	Confident	58 Å²	58	69 Å²	69	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-64.5	-37.6	171.7	-77.9	168.6	0	0	0	112.4	V191 V196 V198 L246 A247 A253 D254	V191-L250 HydrophobicContact CG1-CD2 4.33Å; V196-L250 HydrophobicContact CG1-CD2 4Å; V196-L250 WeakPolarHBondContact O-CD2 3.44Å; V198-L250 HydrophobicContact CG2-CD1 4.2Å; V198-L250 HydrophobicContact CG2-CD2 3.73Å; V198-L250 HydrophobicContact CG2-CG 3.79Å; L246-L250 PolarHBondContact O-N 2.77Å; A247-L250 PolarHBondContact O-N 2.96Å; L250-A253 PolarHBondContact O-N 2.69Å; L250-D254 WeakPolarHBondContact O-CB 3.46Å; L250-D254 PolarHBondContact O-N 3.37Å
251	E	90.4	Very high	86.8	Confident	133 Å²	133	72.5 Å²	72.5	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-62.7	-43.7	173.9	-74.8	175.5	-177.6	0	0	111.8	A247 Q248 A253 D254 E255	A247-E251 WeakPolarHBondContact O-CG 3.44Å; A247-E251 PolarHBondContact O-N 3.19Å; Q248-E251 PolarHBondContact O-N 2.8Å; E251-A253 PolarHBondContact O-N 3.09Å; E251-D254 PolarHBondContact O-N 3.18Å; E251-E255 WeakPolarHBondContact O-CB 2.94Å; E251-E255 PolarHBondContact O-N 2.97Å
252	L	90.9	Very high	85.5	Confident	41 Å²	41	70.2 Å²	70.2	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-44.1	173.7	-74.8	175.2	0	0	0	111.9	L101 L223 Q248 A249 E255 A256	L101-L252 HydrophobicContact CB-CD1 4.01Å; L101-L252 HydrophobicContact CD2-CD1 3.83Å; L101-L252 HydrophobicContact CG-CD1 3.65Å; L223-L252 HydrophobicContact CD1-CD1 4.44Å; L223-L252 HydrophobicContact CD2-CD1 4.18Å; Q248-L252 PolarHBondContact O-N 3.06Å; A249-L252 PolarHBondContact O-N 2.79Å; L252-E255 PolarHBondContact O-N 3.47Å; L252-A256 WeakPolarHBondContact O-CB 3.46Å; L252-A256 PolarHBondContact O-N 3.07Å
253	A	89.1	Confident	84.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-41.4	177.9	0	0	0	0	0	112.4	V191 T193 A249 L250 E251 A256 R257	V191-A253 HydrophobicContact CG1-CB 3.41Å; V191-A253 VanDerWaalsContact CG1-CB 3.41Å; T193-A253 HydrophobicContact CG2-CB 4.34Å; A249-A253 PolarHBondContact O-N 2.82Å; L250-A253 PolarHBondContact O-N 2.69Å; E251-A253 PolarHBondContact O-N 3.09Å; A253-A256 PolarHBondContact O-N 2.82Å; A253-R257 WeakPolarHBondContact O-CB 3.45Å; A253-R257 PolarHBondContact O-N 2.96Å
254	D	87.6	Confident	83.1	Confident	36 Å²	36	66.4 Å²	66.4	19%	0.193	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-38.2	175.6	-169.5	56.4	0	0	0	111.9	V196 L250 E251 R257 R258	V196-D254 HydrophobicContact CG1-CB 4.04Å; V196-D254 HydrophobicContact CG2-CB 4.33Å; L250-D254 WeakPolarHBondContact O-CB 3.46Å; L250-D254 PolarHBondContact O-N 3.37Å; E251-D254 PolarHBondContact O-N 3.18Å; D254-R257 PolarHBondContact O-N 3.16Å; D254-R257 IonicContact OD1-CZ 2.66Å; D254-R257 IonicContact OD1-NE 3.11Å; D254-R257 IonicContact OD1-NH2 3.31Å; D254-R257 PolarHBondContact OD1-NH2 2.91Å; D254-R258 WeakPolarHBondContact O-CB 3.36Å; D254-R258 VanDerWaalsContact O-CG 3.31Å; D254-R258 WeakPolarHBondContact O-CG 3.38Å; D254-R258 PolarHBondContact O-N 2.86Å; D254-R258 IonicContact OD2-CZ 3.94Å; D254-R258 IonicContact OD2-NE 2.68Å; D254-R258 IonicContact OD2-NH1 3.18Å; D254-R258 PolarHBondContact OD2-NH1 3.19Å; D254-R258 IonicContact OD2-NH2 2.99Å
255	E	84.7	Confident	81.8	Confident	79 Å²	79	64 Å²	64	37%	0.369	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-47.6	172.7	-170.5	-179.3	170.5	0	0	112	E251 L252 R257 R258 K259	E251-E255 WeakPolarHBondContact O-CB 2.94Å; E251-E255 PolarHBondContact O-N 2.97Å; L252-E255 PolarHBondContact O-N 3.47Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.33Å; E255-R258 PolarHBondContact O-N 3.42Å; E255-K259 HydrophobicContact CG-CD 4.23Å; E255-K259 WeakPolarHBondContact O-CG 3.16Å; E255-K259 PolarHBondContact O-N 3.35Å; E255-K259 WeakPolarHBondContact OE1-CE 3.01Å; E255-K259 IonicContact OE1-NZ 3.17Å; E255-K259 PolarHBondContact OE1-NZ 3.29Å
256	A	81.6	Confident	80.3	Confident	6 Å²	6	69 Å²	69	5%	0.05	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-43.8	175.2	0	0	0	0	0	111.2	T193 L252 A253 K259 R260 Q261	T193-A256 HydrophobicContact CG2-CB 3.96Å; L252-A256 WeakPolarHBondContact O-CB 3.46Å; L252-A256 PolarHBondContact O-N 3.07Å; A253-A256 PolarHBondContact O-N 2.82Å; A256-K259 CarbonylContact O-C 3.49Å; A256-K259 PolarHBondContact O-N 3.4Å; A256-R260 PolarHBondContact O-N 2.94Å; A256-Q261 HydrophobicContact CB-CB 4.16Å; A256-Q261 PolarHBondContact O-N 2.92Å
257	R	83.5	Confident	79.1	Confident	97 Å²	97	77.4 Å²	77.4	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-47.6	175.7	-167.8	175.8	60	179.2	-2.6	112.5	T193 Q194 V196 A253 D254 E255 K259 R260 F262	T193-R257 VanDerWaalsContact O-CB 3.3Å; T193-R257 WeakPolarHBondContact O-CB 3.24Å; Q194-R257 WeakPolarHBondContact O-CD 3.17Å; V196-R257 HydrophobicContact CG2-CB 4.16Å; V196-R257 VanDerWaalsContact CG2-NE 3.33Å; A253-R257 WeakPolarHBondContact O-CB 3.45Å; A253-R257 PolarHBondContact O-N 2.96Å; D254-R257 PolarHBondContact O-N 3.16Å; D254-R257 IonicContact OD1-CZ 2.66Å; D254-R257 IonicContact OD1-NE 3.11Å; D254-R257 IonicContact OD1-NH2 3.31Å; D254-R257 PolarHBondContact OD1-NH2 2.91Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.33Å; R257-K259 PolarHBondContact O-N 2.89Å; R257-R260 WeakPolarHBondContact O-CA 3.32Å; R257-R260 PolarHBondContact O-N 3.22Å; R257-F262 HydrophobicContact CG-CD1 4.36Å; R257-F262 HydrophobicContact CG-CE1 4Å
258	R	80.8	Confident	78.1	Confident	171 Å²	171	77.1 Å²	77.1	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-33.9	177.4	-74.1	-176.8	-61.7	-135.7	5.8	111.7	D254 E255 R260	D254-R258 WeakPolarHBondContact O-CB 3.36Å; D254-R258 VanDerWaalsContact O-CG 3.31Å; D254-R258 WeakPolarHBondContact O-CG 3.38Å; D254-R258 PolarHBondContact O-N 2.86Å; D254-R258 IonicContact OD2-CZ 3.94Å; D254-R258 IonicContact OD2-NE 2.68Å; D254-R258 IonicContact OD2-NH1 3.18Å; D254-R258 PolarHBondContact OD2-NH1 3.19Å; D254-R258 IonicContact OD2-NH2 2.99Å; E255-R258 PolarHBondContact O-N 3.42Å; R258-R260 VanDerWaalsContact C-N 3.29Å
259	K	80.1	Confident	77.6	Confident	124 Å²	124	76.8 Å²	76.8	54%	0.539	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0.1	173.6	-69.7	174.7	173.8	172.3	0	114	E255 A256 R257 Q261	E255-K259 HydrophobicContact CG-CD 4.23Å; E255-K259 WeakPolarHBondContact O-CG 3.16Å; E255-K259 PolarHBondContact O-N 3.35Å; E255-K259 WeakPolarHBondContact OE1-CE 3.01Å; E255-K259 IonicContact OE1-NZ 3.17Å; E255-K259 PolarHBondContact OE1-NZ 3.29Å; A256-K259 CarbonylContact O-C 3.49Å; A256-K259 PolarHBondContact O-N 3.4Å; R257-K259 PolarHBondContact O-N 2.89Å; K259-Q261 VanDerWaalsContact C-N 3.25Å; K259-Q261 HydrophobicContact CB-CG 3.97Å; K259-Q261 PolarHBondContact O-N 3.48Å
260	R	77.1	Confident	77.2	Confident	213 Å²	213	77.3 Å²	77.3	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	35.5	-175.5	-56	-178.7	-177.7	178.6	-0.3	113.7	A256 R257 R258 F262	A256-R260 PolarHBondContact O-N 2.94Å; R257-R260 WeakPolarHBondContact O-CA 3.32Å; R257-R260 PolarHBondContact O-N 3.22Å; R258-R260 VanDerWaalsContact C-N 3.29Å; R260-F262 PolarHBondContact O-N 3.24Å; R260-F262 VanDerWaalsContact O-N 3.11Å
261	Q	72.1	Confident	77.1	Confident	100 Å²	100	79.8 Å²	79.8	47%	0.467	35%	0.354	S	S	.	.			trans	-85.9	60.5	174.7	-65	175.2	-29.5	0	0	110	T193 A256 K259	T193-Q261 PolarHBondContact OG1-O 3.4Å; A256-Q261 HydrophobicContact CB-CB 4.16Å; A256-Q261 PolarHBondContact O-N 2.92Å; K259-Q261 VanDerWaalsContact C-N 3.25Å; K259-Q261 HydrophobicContact CB-CG 3.97Å; K259-Q261 PolarHBondContact O-N 3.48Å
262	F	65.6	Low	77.1	Confident	63 Å²	63	73.4 Å²	73.4	28%	0.276	33%	0.325	S	S	.	.			trans	-153	153.5	174.9	67.4	-90.4	0	0	0	110.9	T193 Q194 R257 R260 D264	T193-F262 WeakPolarHBondContact OG1-CB 3.4Å; Q194-F262 HydrophobicContact CB-CB 4.4Å; Q194-F262 HydrophobicContact CB-CD2 4.03Å; Q194-F262 HydrophobicContact CB-CG 4.29Å; Q194-F262 HydrophobicContact CG-CD2 3.78Å; Q194-F262 HydrophobicContact CG-CE2 3.99Å; Q194-F262 HydrophobicContact CG-CG 4.49Å; R257-F262 HydrophobicContact CG-CD1 4.36Å; R257-F262 HydrophobicContact CG-CE1 4Å; R260-F262 PolarHBondContact O-N 3.24Å; R260-F262 VanDerWaalsContact O-N 3.11Å; F262-D264 HydrophobicContact CD2-CB 4.41Å; F262-D264 HydrophobicContact CE2-CB 4.2Å
263	T	64.8	Low	77.1	Confident	32 Å²	32	75.9 Å²	75.9	20%	0.196	34%	0.336	C	S	.	.			trans	-111.9	106.7	177.2	-54	0	0	0	0	108.9	D216 I218 I265	D216-T263 PolarHBondContact O-N 3.05Å; I218-T263 HydrophobicContact CD1-CG2 4.09Å; I218-T263 HydrophobicContact CG1-CG2 4.45Å; I218-T263 HydrophobicContact CG2-CG2 4.12Å; T263-I265 HydrophobicContact CG2-CG2 4.39Å; T263-I265 PolarHBondContact O-N 2.8Å
264	D	60.4	Low	77.2	Confident	34 Å²	34	79.9 Å²	79.9	18%	0.182	36%	0.361	C	S	.	.			trans	-78.2	90	176.6	-171.6	-16.1	0	0	0	110.5	Q194 F262 N266 R267 F268	Q194-D264 PolarHBondContact NE2-OD1 3.29Å; Q194-D264 PolarHBondContact NE2-OD2 3.46Å; F262-D264 HydrophobicContact CD2-CB 4.41Å; F262-D264 HydrophobicContact CE2-CB 4.2Å; D264-N266 PolarHBondContact O-N 2.85Å; D264-N266 WeakPolarHBondContact OD1-CA 3.42Å; D264-N266 WeakPolarHBondContact OD1-CB 3.39Å; D264-N266 PolarHBondContact OD1-N 2.64Å; D264-R267 HydrophobicContact CB-CB 4.28Å; D264-R267 PolarHBondContact O-N 2.84Å; D264-R267 PolarHBondContact OD1-N 3.36Å; D264-R267 WeakPolarHBondContact OD2-CB 3.33Å; D264-R267 VanDerWaalsContact OD2-CD 3.3Å; D264-R267 WeakPolarHBondContact OD2-CD 3.34Å; D264-R267 WeakPolarHBondContact OD2-CG 3.41Å; D264-F268 WeakPolarHBondContact O-CB 3.41Å; D264-F268 WeakPolarHBondContact O-CD1 3.17Å; D264-F268 PolarHBondContact O-N 3.19Å
265	I	61.6	Low	77.5	Confident	39 Å²	39	80.7 Å²	80.7	20%	0.2	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.7	177.1	59.9	166.4	0	0	0	114.1	I218 T263 F268 G281 Q282	I218-I265 HydrophobicContact CG2-CG2 3.46Å; I218-I265 VanDerWaalsContact CG2-CG2 3.46Å; T263-I265 HydrophobicContact CG2-CG2 4.39Å; T263-I265 PolarHBondContact O-N 2.8Å; I265-F268 VanDerWaalsContact C-CE1 3.43Å; I265-F268 HydrophobicContact CB-CD1 4.24Å; I265-F268 HydrophobicContact CB-CE1 3.81Å; I265-F268 HydrophobicContact CG2-CE1 4.2Å; I265-F268 VanDerWaalsContact O-CD1 3.23Å; I265-F268 WeakPolarHBondContact O-CD1 3.36Å; I265-F268 WeakPolarHBondContact O-CE1 3.26Å; I265-G281 WeakPolarHBondContact O-CA 3.33Å; I265-Q282 PolarHBondContact O-N 2.9Å
266	N	61.3	Low	78	Confident	104 Å²	104	81.8 Å²	81.8	56%	0.556	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.9	174.4	-65.6	-55.2	0	0	0	112.7	D264	D264-N266 PolarHBondContact O-N 2.85Å; D264-N266 WeakPolarHBondContact OD1-CA 3.42Å; D264-N266 WeakPolarHBondContact OD1-CB 3.39Å; D264-N266 PolarHBondContact OD1-N 2.64Å
267	R	65.5	Low	78.4	Confident	196 Å²	196	84.4 Å²	84.4	74%	0.74	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-2.7	-174	-63.6	-175.3	153.8	176	-4.6	114.9	D264 A269	D264-R267 HydrophobicContact CB-CB 4.28Å; D264-R267 PolarHBondContact O-N 2.84Å; D264-R267 PolarHBondContact OD1-N 3.36Å; D264-R267 WeakPolarHBondContact OD2-CB 3.33Å; D264-R267 VanDerWaalsContact OD2-CD 3.3Å; D264-R267 WeakPolarHBondContact OD2-CD 3.34Å; D264-R267 WeakPolarHBondContact OD2-CG 3.41Å; R267-A269 PolarHBondContact O-N 3.17Å
268	F	67.5	Low	78.7	Confident	42 Å²	42	82.5 Å²	82.5	18%	0.184	40%	0.4	C	S	.	.			trans	-61.9	135.2	175.9	71.7	-62.5	0	0	0	111.3	D264 I265 L270 G281 Q282 E299	D264-F268 WeakPolarHBondContact O-CB 3.41Å; D264-F268 WeakPolarHBondContact O-CD1 3.17Å; D264-F268 PolarHBondContact O-N 3.19Å; I265-F268 VanDerWaalsContact C-CE1 3.43Å; I265-F268 HydrophobicContact CB-CD1 4.24Å; I265-F268 HydrophobicContact CB-CE1 3.81Å; I265-F268 HydrophobicContact CG2-CE1 4.2Å; I265-F268 VanDerWaalsContact O-CD1 3.23Å; I265-F268 WeakPolarHBondContact O-CD1 3.36Å; I265-F268 WeakPolarHBondContact O-CE1 3.26Å; F268-L270 HydrophobicContact CD2-CD1 4.21Å; F268-L270 HydrophobicContact CD2-CD2 3.62Å; F268-L270 HydrophobicContact CD2-CG 3.61Å; F268-L270 HydrophobicContact CE1-CD1 4.13Å; F268-L270 HydrophobicContact CE2-CD1 3.59Å; F268-L270 HydrophobicContact CE2-CD2 3.22Å; F268-L270 HydrophobicContact CE2-CG 3.39Å; F268-L270 HydrophobicContact CG-CG 4.33Å; F268-L270 HydrophobicContact CZ-CD1 3.56Å; F268-L270 HydrophobicContact CZ-CD2 4.07Å; F268-L270 HydrophobicContact CZ-CG 3.9Å; F268-L270 PolarHBondContact O-N 3.19Å; F268-G281 PolarHBondContact O-N 3.35Å; F268-Q282 HydrophobicContact CE1-CB 4.5Å; F268-E299 HydrophobicContact CD2-CG 4.13Å
269	A	79.1	Confident	79.1	Confident	44 Å²	44	74.9 Å²	74.9	36%	0.364	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	120.3	175.6	0	0	0	0	0	107.8	R267 E299 V300	R267-A269 PolarHBondContact O-N 3.17Å; A269-E299 CarbonylContact O-C 3.55Å; A269-E299 WeakPolarHBondContact O-CA 3.3Å; A269-V300 HydrophobicContact CB-CB 4.26Å; A269-V300 PolarHBondContact O-N 3.38Å
270	L	85.8	Confident	79.4	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	152.8	175.7	-79.3	174.3	0	0	0	109.2	F268 G278 L279 A285 F297 G298	F268-L270 HydrophobicContact CD2-CD1 4.21Å; F268-L270 HydrophobicContact CD2-CD2 3.62Å; F268-L270 HydrophobicContact CD2-CG 3.61Å; F268-L270 HydrophobicContact CE1-CD1 4.13Å; F268-L270 HydrophobicContact CE2-CD1 3.59Å; F268-L270 HydrophobicContact CE2-CD2 3.22Å; F268-L270 HydrophobicContact CE2-CG 3.39Å; F268-L270 HydrophobicContact CG-CG 4.33Å; F268-L270 HydrophobicContact CZ-CD1 3.56Å; F268-L270 HydrophobicContact CZ-CD2 4.07Å; F268-L270 HydrophobicContact CZ-CG 3.9Å; F268-L270 PolarHBondContact O-N 3.19Å; L270-G278 CarbonylContact O-C 3.54Å; L270-G278 WeakPolarHBondContact O-CA 3.48Å; L270-L279 HydrophobicContact CB-CB 3.89Å; L270-L279 PolarHBondContact N-O 2.9Å; L270-L279 PolarHBondContact O-N 2.9Å; L270-A285 HydrophobicContact CD1-CB 3.6Å; L270-F297 HydrophobicContact CD2-CB 4.09Å; L270-G298 CarbonylContact C-O 3.59Å; L270-G298 WeakPolarHBondContact CA-O 3.36Å
271	R	89.1	Confident	79.5	Confident	109 Å²	109	62.4 Å²	62.4	41%	0.411	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.2	167.8	-179.6	173.5	-76.1	-178	-0.2	108.5	M273 T277 F297 G298 V300	R271-M273 PolarHBondContact O-N 3.27Å; R271-T277 WeakPolarHBondContact CA-O 3.37Å; R271-F297 CarbonylContact O-C 3.5Å; R271-F297 WeakPolarHBondContact O-CA 3.42Å; R271-G298 PolarHBondContact N-O 3.47Å; R271-G298 PolarHBondContact O-N 2.74Å; R271-V300 HydrophobicContact CB-CG2 3.47Å; R271-V300 VanDerWaalsContact CB-CG2 3.47Å
272	C	91.3	Very high	79.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	118.6	168.9	-180	0	0	0	0	108.8	V274 C275 Q276 T277 L279 H288 F297	C272-V274 PolarHBondContact O-N 3.43Å; C272-C275 PolarHBondContact SG-SG 3.24Å; C272-Q276 WeakPolarHBondContact O-CA 3.25Å; C272-Q276 PolarHBondContact O-N 3.35Å; C272-T277 PolarHBondContact N-O 3.04Å; C272-L279 HydrophobicContact CB-CD1 4.26Å; C272-H288 PolarHBondContact SG-NE2 3.15Å; C272-F297 HydrophobicContact CB-CD1 4.01Å; C272-F297 HydrophobicContact CB-CE1 4.02Å
273	M	90.3	Very high	80.7	Confident	92 Å²	92	65.7 Å²	65.7	45%	0.453	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.7	-176.9	-61.4	-56.1	-71.8	0	0	113	R271 Q276 N296	R271-M273 PolarHBondContact O-N 3.27Å; M273-Q276 PolarHBondContact O-NE2 2.88Å; M273-Q276 VanDerWaalsContact O-NE2 3.17Å; M273-N296 HydrophobicContact CB-CB 4.45Å; M273-N296 PolarHBondContact N-O 2.9Å
274	V	91.7	Very high	81.9	Confident	85 Å²	85	68.2 Å²	68.2	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-48.8	176.9	-171.1	0	0	0	0	111.7	C272 H294 N296	C272-V274 PolarHBondContact O-N 3.43Å; V274-H294 HydrophobicContact CB-CB 4.4Å; V274-H294 WeakPolarHBondContact CG1-NE2 3.04Å; V274-H294 HydrophobicContact CG2-CB 4.25Å; V274-N296 HydrophobicContact CG2-CB 4.23Å
275	C	94.7	Very high	83.2	Confident	52 Å²	52	67 Å²	67	35%	0.351	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	2.7	-173.5	65.4	0	0	0	0	114.2	C272 T277 H288	C272-C275 PolarHBondContact SG-SG 3.24Å; C275-T277 PolarHBondContact O-N 3.37Å; C275-T277 VanDerWaalsContact O-N 3.09Å; C275-T277 PolarHBondContact SG-OG1 3.46Å; C275-T277 VanDerWaalsContact SG-OG1 3.36Å; C275-H288 PolarHBondContact SG-CE1 3.17Å; C275-H288 PolarHBondContact SG-NE2 2.82Å; C275-H288 VanDerWaalsContact SG-NE2 3.44Å
276	Q	93.3	Very high	84.3	Confident	103 Å²	103	73.6 Å²	73.6	48%	0.481	37%	0.37	S	S	.	.			trans	63.2	11.5	176.5	-52.9	-64.5	-46	0	0	115.3	C272 M273 G278	C272-Q276 WeakPolarHBondContact O-CA 3.25Å; C272-Q276 PolarHBondContact O-N 3.35Å; M273-Q276 PolarHBondContact O-NE2 2.88Å; M273-Q276 VanDerWaalsContact O-NE2 3.17Å; Q276-G278 PolarHBondContact O-N 2.98Å
277	T	91.3	Very high	85.8	Confident	61 Å²	61	73 Å²	73	37%	0.374	36%	0.364	S	S	.	.			trans	-64.3	128.9	175.4	-60.5	0	0	0	0	109.9	R271 C272 C275 L279	R271-T277 WeakPolarHBondContact CA-O 3.37Å; C272-T277 PolarHBondContact N-O 3.04Å; C275-T277 PolarHBondContact O-N 3.37Å; C275-T277 VanDerWaalsContact O-N 3.09Å; C275-T277 PolarHBondContact SG-OG1 3.46Å; C275-T277 VanDerWaalsContact SG-OG1 3.36Å; T277-L279 HydrophobicContact CG2-CD2 4.03Å; T277-L279 HydrophobicContact CG2-CG 4.39Å
278	G	90.2	Very high	87.1	Confident	57 Å²	57	64.6 Å²	64.6	59%	0.588	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.6	170.9	0	0	0	0	0	110.3	L270 Q276	L270-G278 CarbonylContact O-C 3.54Å; L270-G278 WeakPolarHBondContact O-CA 3.48Å; Q276-G278 PolarHBondContact O-N 2.98Å
279	L	89.3	Confident	88.2	Confident	11 Å²	11	63.7 Å²	63.7	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.1	-173.1	-60.6	163.9	0	0	0	108.1	L270 C272 T277 E284 A285 H288 F297	L270-L279 HydrophobicContact CB-CB 3.89Å; L270-L279 PolarHBondContact N-O 2.9Å; L270-L279 PolarHBondContact O-N 2.9Å; C272-L279 HydrophobicContact CB-CD1 4.26Å; T277-L279 HydrophobicContact CG2-CD2 4.03Å; T277-L279 HydrophobicContact CG2-CG 4.39Å; L279-E284 HydrophobicContact CB-CB 4.29Å; L279-E284 HydrophobicContact CD2-CB 4.2Å; L279-A285 HydrophobicContact CD1-CB 4.48Å; L279-H288 HydrophobicContact CD1-CB 4.09Å; L279-H288 HydrophobicContact CD2-CB 3.89Å; L279-F297 HydrophobicContact CD1-CD1 3.59Å; L279-F297 HydrophobicContact CD1-CE1 3.4Å
280	V	84.9	Confident	88.8	Confident	74 Å²	74	70.5 Å²	70.5	45%	0.448	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.3	178	-176.2	0	0	0	0	109.3	E284	V280-E284 PolarHBondContact N-OE2 2.86Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å
281	G	79.1	Confident	89.2	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	72.1	175.5	175.7	0	0	0	0	0	115	I265 F268 K283 A285	I265-G281 WeakPolarHBondContact O-CA 3.33Å; F268-G281 PolarHBondContact O-N 3.35Å; G281-K283 VanDerWaalsContact C-N 3.29Å; G281-K283 PolarHBondContact O-N 2.99Å; G281-A285 PolarHBondContact O-N 3.38Å
282	Q	79.3	Confident	89.3	Confident	88 Å²	88	75.6 Å²	75.6	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-65.7	-30.6	-175.9	-166.3	-172.6	-1.7	0	0	112.9	I265 F268 A285 R286	I265-Q282 PolarHBondContact O-N 2.9Å; F268-Q282 HydrophobicContact CE1-CB 4.5Å; Q282-A285 PolarHBondContact O-N 3.13Å; Q282-R286 HydrophobicContact CG-CG 4.34Å; Q282-R286 WeakPolarHBondContact O-CB 3.49Å; Q282-R286 VanDerWaalsContact O-CG 3.31Å; Q282-R286 WeakPolarHBondContact O-CG 3.45Å; Q282-R286 PolarHBondContact O-N 2.8Å
283	K	84.2	Confident	89.4	Confident	144 Å²	144	78.3 Å²	78.3	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-62.2	-53.1	-179.3	-174.6	-176	172	-170	0	111.1	G281 A285 R286 E287	G281-K283 VanDerWaalsContact C-N 3.29Å; G281-K283 PolarHBondContact O-N 2.99Å; K283-A285 VanDerWaalsContact C-N 3.31Å; K283-A285 PolarHBondContact O-N 3.26Å; K283-R286 PolarHBondContact O-N 2.92Å; K283-E287 WeakPolarHBondContact CE-OE1 3.5Å; K283-E287 PolarHBondContact O-N 2.87Å
284	E	90.4	Very high	89.6	Confident	85 Å²	85	76.3 Å²	76.3	40%	0.397	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-37.5	179.3	-67.2	-174	-171.8	0	0	111.3	L279 V280 R286 E287 H288	L279-E284 HydrophobicContact CB-CB 4.29Å; L279-E284 HydrophobicContact CD2-CB 4.2Å; V280-E284 PolarHBondContact N-OE2 2.86Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å; E284-R286 PolarHBondContact O-N 3.01Å; E284-E287 PolarHBondContact O-N 3.3Å; E284-H288 WeakPolarHBondContact O-CB 3.32Å; E284-H288 PolarHBondContact O-N 2.92Å
285	A	86.6	Confident	89.3	Confident	8 Å²	8	77.9 Å²	77.9	7%	0.066	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-39.3	175.1	0	0	0	0	0	113.4	L270 L279 G281 Q282 K283 A289 F297	L270-A285 HydrophobicContact CD1-CB 3.6Å; L279-A285 HydrophobicContact CD1-CB 4.48Å; G281-A285 PolarHBondContact O-N 3.38Å; Q282-A285 PolarHBondContact O-N 3.13Å; K283-A285 VanDerWaalsContact C-N 3.31Å; K283-A285 PolarHBondContact O-N 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.4Å; A285-A289 PolarHBondContact O-N 2.68Å; A285-F297 HydrophobicContact CB-CD1 4.46Å; A285-F297 HydrophobicContact CB-CD2 4.47Å; A285-F297 HydrophobicContact CB-CE1 4.31Å; A285-F297 HydrophobicContact CB-CE2 4.3Å; A285-F297 HydrophobicContact CB-CZ 4.22Å; A285-F297 WeakPolarHBondContact O-CZ 3.39Å
286	R	86.6	Confident	88.9	Confident	177 Å²	177	80 Å²	80	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-68.6	-42.1	175.8	-76.3	176.7	68.6	-178.5	1.5	112.2	Q282 K283 E284 K290	Q282-R286 HydrophobicContact CG-CG 4.34Å; Q282-R286 WeakPolarHBondContact O-CB 3.49Å; Q282-R286 VanDerWaalsContact O-CG 3.31Å; Q282-R286 WeakPolarHBondContact O-CG 3.45Å; Q282-R286 PolarHBondContact O-N 2.8Å; K283-R286 PolarHBondContact O-N 2.92Å; E284-R286 PolarHBondContact O-N 3.01Å; R286-K290 WeakPolarHBondContact O-CB 3.33Å; R286-K290 PolarHBondContact O-N 2.76Å
287	E	92.1	Very high	88.7	Confident	93 Å²	93	77.7 Å²	77.7	44%	0.435	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.5	-74.5	171.6	178.6	0	0	110.3	K283 E284 A289 K290 E291	K283-E287 WeakPolarHBondContact CE-OE1 3.5Å; K283-E287 PolarHBondContact O-N 2.87Å; E284-E287 PolarHBondContact O-N 3.3Å; E287-A289 PolarHBondContact O-N 2.86Å; E287-K290 WeakPolarHBondContact O-CB 3.49Å; E287-K290 PolarHBondContact O-N 3.49Å; E287-K290 VanDerWaalsContact O-N 3.16Å; E287-E291 WeakPolarHBondContact O-CG 3.47Å; E287-E291 PolarHBondContact O-N 3.44Å
288	H	92.4	Very high	88	Confident	18 Å²	18	75.9 Å²	75.9	8%	0.083	40%	0.404	C	S	.	.	H	α-helix	trans	-57.9	-48.7	174.9	-176.3	93.7	0	0	0	112.7	C272 C275 L279 E284 K290 E291 T292 H294 F297	C272-H288 PolarHBondContact SG-NE2 3.15Å; C275-H288 PolarHBondContact SG-CE1 3.17Å; C275-H288 PolarHBondContact SG-NE2 2.82Å; C275-H288 VanDerWaalsContact SG-NE2 3.44Å; L279-H288 HydrophobicContact CD1-CB 4.09Å; L279-H288 HydrophobicContact CD2-CB 3.89Å; E284-H288 WeakPolarHBondContact O-CB 3.32Å; E284-H288 PolarHBondContact O-N 2.92Å; H288-K290 VanDerWaalsContact C-N 3.26Å; H288-K290 PolarHBondContact O-N 3.36Å; H288-E291 PolarHBondContact O-N 2.77Å; H288-T292 PolarHBondContact O-N 3.01Å; H288-T292 PolarHBondContact O-OG1 3.46Å; H288-T292 VanDerWaalsContact O-OG1 3.05Å; H288-H294 AromaticContact NE2-ND1 3.44Å; H288-H294 PolarHBondContact NE2-ND1 3.18Å; H288-F297 HydrophobicContact CB-CE1 4.5Å; H288-F297 AromaticContact CD2-CE1 3.55Å; H288-F297 AromaticContact CD2-CZ 3.88Å
289	A	91.1	Very high	87.3	Confident	24 Å²	24	79.6 Å²	79.6	20%	0.198	41%	0.406	C	S	.	.	H	α-helix	trans	-60.2	-37.5	177.7	0	0	0	0	0	112.4	A285 E287 G293 H294 F297	A285-A289 WeakPolarHBondContact O-CB 3.4Å; A285-A289 PolarHBondContact O-N 2.68Å; E287-A289 PolarHBondContact O-N 2.86Å; A289-G293 WeakPolarHBondContact O-CA 3.38Å; A289-G293 PolarHBondContact O-N 3.44Å; A289-H294 WeakPolarHBondContact CA-O 3.46Å; A289-H294 WeakPolarHBondContact CB-O 3.39Å; A289-F297 HydrophobicContact CB-CE2 4.27Å; A289-F297 HydrophobicContact CB-CZ 4.04Å
290	K	91.3	Very high	86.2	Confident	186 Å²	186	85 Å²	85	81%	0.809	44%	0.439	S	S	*	.	H	α-helix	trans	-68.9	-39.5	178.5	-174.3	-177	177.2	-173.3	0	112	R286 E287 H288	R286-K290 WeakPolarHBondContact O-CB 3.33Å; R286-K290 PolarHBondContact O-N 2.76Å; E287-K290 WeakPolarHBondContact O-CB 3.49Å; E287-K290 PolarHBondContact O-N 3.49Å; E287-K290 VanDerWaalsContact O-N 3.16Å; H288-K290 VanDerWaalsContact C-N 3.26Å; H288-K290 PolarHBondContact O-N 3.36Å
291	E	94.2	Very high	86.2	Confident	167 Å²	167	85.5 Å²	85.5	78%	0.78	44%	0.439	S	S	*	.	H	α-helix	trans	-79	-37.4	-177.5	-71.1	179.7	176.2	0	0	112.8	E287 H288	E287-E291 WeakPolarHBondContact O-CG 3.47Å; E287-E291 PolarHBondContact O-N 3.44Å; H288-E291 PolarHBondContact O-N 2.77Å
292	T	92.3	Very high	86.6	Confident	61 Å²	61	89.9 Å²	89.9	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-110.4	-12.1	-171.4	78.5	0	0	0	0	114.1	H288 H294	H288-T292 PolarHBondContact O-N 3.01Å; H288-T292 PolarHBondContact O-OG1 3.46Å; H288-T292 VanDerWaalsContact O-OG1 3.05Å; T292-H294 PolarHBondContact O-N 3.38Å; T292-H294 VanDerWaalsContact OG1-CB 3.27Å; T292-H294 WeakPolarHBondContact OG1-CB 3.21Å; T292-H294 PolarHBondContact OG1-N 3.47Å; T292-H294 PolarHBondContact OG1-ND1 3.21Å
293	G	92.3	Very high	87	Confident	58 Å²	58	90.1 Å²	90.1	60%	0.598	46%	0.464	S	S	*	.			trans	72	8.6	-171.2	0	0	0	0	0	114.4	A289	A289-G293 WeakPolarHBondContact O-CA 3.38Å; A289-G293 PolarHBondContact O-N 3.44Å
294	H	93.7	Very high	87.2	Confident	50 Å²	50	86.9 Å²	86.9	23%	0.231	46%	0.455	C	S	.	.			trans	-85	125.7	-179.3	-60.4	149.9	0	0	0	111.1	V274 H288 A289 T292 F297	V274-H294 HydrophobicContact CB-CB 4.4Å; V274-H294 WeakPolarHBondContact CG1-NE2 3.04Å; V274-H294 HydrophobicContact CG2-CB 4.25Å; H288-H294 AromaticContact NE2-ND1 3.44Å; H288-H294 PolarHBondContact NE2-ND1 3.18Å; A289-H294 WeakPolarHBondContact CA-O 3.46Å; A289-H294 WeakPolarHBondContact CB-O 3.39Å; T292-H294 PolarHBondContact O-N 3.38Å; T292-H294 VanDerWaalsContact OG1-CB 3.27Å; T292-H294 WeakPolarHBondContact OG1-CB 3.21Å; T292-H294 PolarHBondContact OG1-N 3.47Å; T292-H294 PolarHBondContact OG1-ND1 3.21Å; H294-F297 WeakPolarHBondContact O-CZ 3.46Å
295	T	87.2	Confident	87	Confident	118 Å²	118	87 Å²	87	72%	0.724	46%	0.458	S	S	*	.			trans	-119.2	0.7	-178.9	54.8	0	0	0	0	114.1
296	N	86.4	Confident	87	Confident	95 Å²	95	92.3 Å²	92.3	51%	0.508	49%	0.485	S	S	.	.			trans	-97	107.1	179	-170.8	1.9	0	0	0	110.8	M273 V274	M273-N296 HydrophobicContact CB-CB 4.45Å; M273-N296 PolarHBondContact N-O 2.9Å; V274-N296 HydrophobicContact CG2-CB 4.23Å
297	F	88.1	Confident	87	Confident	55 Å²	55	86.2 Å²	86.2	24%	0.241	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.6	-178.9	-54.1	-77.8	0	0	0	110.3	L270 R271 C272 L279 A285 H288 A289 H294	L270-F297 HydrophobicContact CD2-CB 4.09Å; R271-F297 CarbonylContact O-C 3.5Å; R271-F297 WeakPolarHBondContact O-CA 3.42Å; C272-F297 HydrophobicContact CB-CD1 4.01Å; C272-F297 HydrophobicContact CB-CE1 4.02Å; L279-F297 HydrophobicContact CD1-CD1 3.59Å; L279-F297 HydrophobicContact CD1-CE1 3.4Å; A285-F297 HydrophobicContact CB-CD1 4.46Å; A285-F297 HydrophobicContact CB-CD2 4.47Å; A285-F297 HydrophobicContact CB-CE1 4.31Å; A285-F297 HydrophobicContact CB-CE2 4.3Å; A285-F297 HydrophobicContact CB-CZ 4.22Å; A285-F297 WeakPolarHBondContact O-CZ 3.39Å; H288-F297 HydrophobicContact CB-CE1 4.5Å; H288-F297 AromaticContact CD2-CE1 3.55Å; H288-F297 AromaticContact CD2-CZ 3.88Å; A289-F297 HydrophobicContact CB-CE2 4.27Å; A289-F297 HydrophobicContact CB-CZ 4.04Å; H294-F297 WeakPolarHBondContact O-CZ 3.46Å
298	G	77.2	Confident	86.7	Confident	23 Å²	23	85.7 Å²	85.7	24%	0.237	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.4	171.7	0	0	0	0	0	110.8	L270 R271	L270-G298 CarbonylContact C-O 3.59Å; L270-G298 WeakPolarHBondContact CA-O 3.36Å; R271-G298 PolarHBondContact N-O 3.47Å; R271-G298 PolarHBondContact O-N 2.74Å
299	E	75.8	Confident	86.2	Confident	135 Å²	135	91.3 Å²	91.3	63%	0.631	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	145.5	173	-168	170.3	-170	0	0	110.6	F268 A269	F268-E299 HydrophobicContact CD2-CG 4.13Å; A269-E299 CarbonylContact O-C 3.55Å; A269-E299 WeakPolarHBondContact O-CA 3.3Å
300	V	64.8	Low	85.7	Confident	124 Å²	124	97.5 Å²	97.5	75%	0.752	54%	0.535	S	S	*	.			trans	-121.6	0	-174.3	-153.3	0	0	0	0	111.7	A269 R271	A269-V300 HydrophobicContact CB-CB 4.26Å; A269-V300 PolarHBondContact O-N 3.38Å; R271-V300 HydrophobicContact CB-CG2 3.47Å; R271-V300 VanDerWaalsContact CB-CG2 3.47Å

Retrieved 300 of 300 residues in 94.7 ms (Link to these results)

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