A0A087YP55_POEFO Loading...

RNA 3'-terminal phosphate cyclase-like protein

As part of the small subunit (SSU) processome, it plays a role in 40S-ribosomal-subunit biogenesis in the early pre-rRNA processing steps at sites A0, A1 and A2 that are required for proper maturation of the 18S RNA. Activates BMS1 by promoting GDP/GTP exchange. Does not have cyclase activity.

AlphaFold DB , UniProt , Accession A0A087YP55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 aa.

Structure Viewer

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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	N	35.8	Very low	60.2	Low	210 Å²	210	109.5 Å²	109.5	100%	1.123	62%	0.619	S	S	*	*				0	97.6	0	-81.5	-4.8	0	0	0	110.8
2	N	30.1	Very low	63.3	Low	162 Å²	162	107.9 Å²	107.9	87%	0.866	61%	0.608	S	S	*	*			trans	-171.8	74.8	139.1	-96.3	-6	0	0	0	107	M4	N2-M4 PolarHBondContact O-N 3.28Å
3	N	34.2	Very low	65.8	Low	169 Å²	169	101.2 Å²	101.2	90%	0.904	58%	0.578	S	S	*	*			trans	-64.3	82.9	154.4	-101.5	-12.9	0	0	0	106.3	A5	N3-A5 PolarHBondContact O-N 3.26Å
4	M	37.9	Very low	67.8	Low	179 Å²	179	96.1 Å²	96.1	88%	0.882	55%	0.551	S	S	*	*			trans	-70.8	86.4	158.4	-136	169.6	178.4	0	0	104.1	N2 S6	N2-M4 PolarHBondContact O-N 3.28Å; M4-S6 PolarHBondContact O-N 2.93Å
5	A	38.7	Very low	69.6	Low	71 Å²	71	96.8 Å²	96.8	59%	0.587	55%	0.552	S	S	*	*			trans	-51.3	110.3	175	0	0	0	0	0	107	N3 H7	N3-A5 PolarHBondContact O-N 3.26Å; A5-H7 VanDerWaalsContact C-N 3.27Å; A5-H7 PolarHBondContact O-N 2.74Å
6	S	49.4	Very low	71.2	Confident	76 Å²	76	94.5 Å²	94.5	53%	0.531	53%	0.534	S	S	.	.			trans	-62	93.9	176.8	57.6	0	0	0	0	107.2	M4 G8	M4-S6 PolarHBondContact O-N 2.93Å; S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 3.46Å
7	H	64.1	Low	72.7	Confident	163 Å²	163	89.2 Å²	89.2	76%	0.755	50%	0.504	S	S	*	.			trans	-61.5	98.7	172.1	-77.6	-70.8	0	0	0	107.1	A5 L9	A5-H7 VanDerWaalsContact C-N 3.27Å; A5-H7 PolarHBondContact O-N 2.74Å; H7-L9 PolarHBondContact O-N 3.3Å
8	G	82.1	Confident	74	Confident	42 Å²	42	85.7 Å²	85.7	43%	0.433	48%	0.481	S	S	.	.			trans	-62	132.8	176.4	0	0	0	0	0	109.6	S6 N30	S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 3.46Å; G8-N30 CarbonylContact C-O 3.5Å; G8-N30 WeakPolarHBondContact CA-O 3.48Å
9	L	95.9	Very high	75.3	Confident	36 Å²	36	81.3 Å²	81.3	19%	0.188	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.7	177.3	-67	170.4	0	0	0	109.3	H7 Y11 K29 N30 V31 K32 F335	H7-L9 PolarHBondContact O-N 3.3Å; L9-Y11 HydrophobicContact CB-CE2 3.81Å; L9-Y11 HydrophobicContact CD1-CE2 4.48Å; L9-K29 HydrophobicContact CD1-CD 4.18Å; L9-N30 PolarHBondContact N-O 3.12Å; L9-V31 HydrophobicContact CB-CG2 4.23Å; L9-V31 CarbonylContact O-C 3.58Å; L9-V31 WeakPolarHBondContact O-CA 3.36Å; L9-K32 PolarHBondContact O-N 2.96Å; L9-F335 HydrophobicContact CD1-CD1 3.43Å; L9-F335 VanDerWaalsContact CD1-CD1 3.43Å; L9-F335 HydrophobicContact CD1-CD2 4.12Å; L9-F335 HydrophobicContact CD1-CE1 3.41Å; L9-F335 VanDerWaalsContact CD1-CE1 3.41Å; L9-F335 HydrophobicContact CD1-CE2 4.08Å; L9-F335 HydrophobicContact CD1-CG 3.82Å; L9-F335 HydrophobicContact CD1-CZ 3.74Å
10	T	97	Very high	76.4	Confident	74 Å²	74	78 Å²	78	45%	0.454	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.7	176.7	-60.1	0	0	0	0	109.6	K32 K34	T10-K32 CarbonylContact C-O 3.6Å; T10-K32 VanDerWaalsContact CA-O 3.27Å; T10-K32 WeakPolarHBondContact CA-O 3.32Å; T10-K34 HydrophobicContact CG2-CD 4.03Å; T10-K34 HydrophobicContact CG2-CG 4.39Å
11	Y	97.6	Very high	77.4	Confident	23 Å²	23	74.2 Å²	74.2	9%	0.09	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	161.2	176.2	-63.8	-80.4	0	0	0	110.8	L9 R20 V31 K32 I33 K34 H331 F335	L9-Y11 HydrophobicContact CB-CE2 3.81Å; L9-Y11 HydrophobicContact CD1-CE2 4.48Å; Y11-R20 HydrophobicContact CD2-CG 4.22Å; Y11-R20 HydrophobicContact CE2-CG 4.32Å; Y11-R20 HydrophobicContact CG-CG 4.48Å; Y11-V31 HydrophobicContact CD2-CG1 4.27Å; Y11-V31 HydrophobicContact CE2-CG2 4.4Å; Y11-K32 PolarHBondContact N-O 2.93Å; Y11-I33 CarbonylContact O-C 3.55Å; Y11-I33 WeakPolarHBondContact O-CA 3.34Å; Y11-K34 PolarHBondContact O-N 2.91Å; Y11-H331 AromaticContact CE1-CD2 3.65Å; Y11-H331 AromaticContact CE1-NE2 3.86Å; Y11-H331 AromaticContact CZ-CD2 3.84Å; Y11-F335 AromaticContact CE2-CE2 3.96Å; Y11-F335 HydrophobicContact CE2-CE2 3.96Å; Y11-F335 AromaticContact CE2-CZ 3.88Å; Y11-F335 HydrophobicContact CE2-CZ 3.88Å; Y11-F335 AromaticContact CZ-CE2 3.98Å; Y11-F335 VanDerWaalsContact OH-CE2 3.28Å; Y11-F335 WeakPolarHBondContact OH-CE2 3.45Å
12	D	96.6	Very high	80.4	Confident	90 Å²	90	64.3 Å²	64.3	48%	0.481	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150	175.8	-73.7	-81.1	0	0	0	111.5	R20 K34 N35	D12-R20 PolarHBondContact O-NH1 2.86Å; D12-R20 VanDerWaalsContact O-NH1 3.11Å; D12-R20 PolarHBondContact O-NH2 3.05Å; D12-K34 CarbonylContact C-O 3.42Å; D12-K34 WeakPolarHBondContact CA-O 3.32Å; D12-N35 PolarHBondContact OD1-ND2 3.23Å
13	G	95.8	Very high	83.6	Confident	21 Å²	21	56.6 Å²	56.6	22%	0.216	32%	0.321	C	S	.	.	S	Bend	trans	75.6	173.7	175.4	0	0	0	0	0	115	R20 I33 K34	G13-R20 PolarHBondContact O-NH1 3.32Å; G13-R20 VanDerWaalsContact O-NH1 3.12Å; G13-I33 WeakPolarHBondContact O-CG2 3.44Å; G13-K34 PolarHBondContact N-O 2.89Å
14	C	94.4	Very high	86.6	Confident	29 Å²	29	48.5 Å²	48.5	20%	0.196	28%	0.278	C	S	.	.	S	Bend	trans	-89.7	-8.3	-178.1	61.8	0	0	0	0	114.2	F17 I36 R37	C14-F17 WeakPolarHBondContact O-CB 2.92Å; C14-F17 PolarHBondContact O-N 2.6Å; C14-I36 HydrophobicContact CB-CG2 3.95Å; C14-R37 HydrophobicContact CB-CG 4.44Å
15	N	94.8	Very high	89.5	Confident	107 Å²	107	40.4 Å²	40.4	57%	0.572	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	142.4	-178	-69.5	-22.7	0	0	0	111.3	F17 R20	N15-F17 PolarHBondContact O-N 2.9Å; N15-F17 VanDerWaalsContact O-N 3.1Å; N15-R20 PolarHBondContact O-NH1 3.32Å
16	F	95.6	Very high	92.2	Very high	60 Å²	60	37.2 Å²	37.2	26%	0.263	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	26.4	177.7	-45.6	-73.7	0	0	0	114.3	R18 Q19 R20 Y324 E327	F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.45Å; F16-Q19 HydrophobicContact CB-CB 4.37Å; F16-Q19 HydrophobicContact CB-CG 4.35Å; F16-Q19 WeakPolarHBondContact O-CB 3.28Å; F16-Q19 PolarHBondContact O-N 3.27Å; F16-Q19 VanDerWaalsContact O-N 3.09Å; F16-R20 PolarHBondContact O-N 3.36Å; F16-R20 VanDerWaalsContact O-N 3.14Å; F16-Y324 AromaticContact CD1-CD2 3.76Å; F16-Y324 HydrophobicContact CD1-CD2 3.76Å; F16-Y324 HydrophobicContact CD1-CE2 4.14Å; F16-Y324 AromaticContact CE1-CD2 3.86Å; F16-Y324 HydrophobicContact CE1-CD2 3.86Å; F16-E327 HydrophobicContact CD1-CB 4.16Å; F16-E327 HydrophobicContact CD1-CG 4.32Å; F16-E327 HydrophobicContact CD2-CB 4.11Å; F16-E327 HydrophobicContact CD2-CG 3.52Å; F16-E327 HydrophobicContact CE1-CB 3.95Å; F16-E327 HydrophobicContact CE1-CG 4.42Å; F16-E327 HydrophobicContact CE2-CB 3.85Å; F16-E327 HydrophobicContact CE2-CG 3.6Å; F16-E327 HydrophobicContact CG-CB 4.24Å; F16-E327 HydrophobicContact CG-CG 3.88Å; F16-E327 HydrophobicContact CZ-CB 3.76Å; F16-E327 HydrophobicContact CZ-CG 4.06Å
17	F	96.6	Very high	94.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-49.9	-48.4	-178.9	-174.3	-98	0	0	0	113.1	C14 N15 Q19 R20 L21 I33 I36 L45 E49 F52 I53 L74	C14-F17 WeakPolarHBondContact O-CB 2.92Å; C14-F17 PolarHBondContact O-N 2.6Å; N15-F17 PolarHBondContact O-N 2.9Å; N15-F17 VanDerWaalsContact O-N 3.1Å; F17-Q19 PolarHBondContact O-N 3.17Å; F17-R20 PolarHBondContact O-N 2.93Å; F17-L21 HydrophobicContact CD1-CD1 3.96Å; F17-L21 HydrophobicContact CE1-CD1 3.35Å; F17-L21 HydrophobicContact CE1-CG 4.33Å; F17-L21 HydrophobicContact CE2-CD1 4.37Å; F17-L21 HydrophobicContact CZ-CD1 3.58Å; F17-L21 HydrophobicContact CZ-CG 4.44Å; F17-L21 PolarHBondContact O-N 3.05Å; F17-L21 VanDerWaalsContact O-N 3.16Å; F17-I33 HydrophobicContact CD2-CD1 3.61Å; F17-I33 HydrophobicContact CE2-CD1 3.75Å; F17-I36 HydrophobicContact CE2-CD1 4.42Å; F17-L45 HydrophobicContact CE2-CD2 3.69Å; F17-L45 HydrophobicContact CZ-CD2 3.74Å; F17-E49 HydrophobicContact CD1-CB 4.34Å; F17-E49 HydrophobicContact CD1-CG 4.35Å; F17-E49 HydrophobicContact CE1-CB 4.03Å; F17-E49 HydrophobicContact CZ-CB 4.45Å; F17-F52 HydrophobicContact CD1-CD1 4.28Å; F17-F52 HydrophobicContact CE1-CD1 4.14Å; F17-I53 HydrophobicContact CE1-CD1 4.43Å; F17-I53 HydrophobicContact CE1-CG1 4.11Å; F17-I53 HydrophobicContact CZ-CD1 3.93Å; F17-I53 HydrophobicContact CZ-CG1 4.03Å; F17-L74 HydrophobicContact CE2-CD2 3.48Å; F17-L74 VanDerWaalsContact CE2-CD2 3.48Å; F17-L74 HydrophobicContact CZ-CD2 3.42Å; F17-L74 VanDerWaalsContact CZ-CD2 3.42Å
18	R	96.4	Very high	95.9	Very high	26 Å²	26	29.7 Å²	29.7	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-47.2	177.5	-67.4	-173.6	-71.5	157	9.2	112.7	F16 R20 L21 V22 F52 Y98 E101 Y324	F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.45Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.45Å; R18-L21 PolarHBondContact O-N 2.89Å; R18-V22 WeakPolarHBondContact O-CB 3.3Å; R18-V22 VanDerWaalsContact O-CG2 3.3Å; R18-V22 WeakPolarHBondContact O-CG2 3.46Å; R18-V22 PolarHBondContact O-N 3.15Å; R18-F52 HydrophobicContact CB-CE1 4.2Å; R18-F52 HydrophobicContact CB-CZ 4.14Å; R18-F52 HydrophobicContact CG-CD1 4.23Å; R18-F52 HydrophobicContact CG-CD2 4.46Å; R18-F52 HydrophobicContact CG-CE1 3.96Å; R18-F52 HydrophobicContact CG-CE2 4.23Å; R18-F52 HydrophobicContact CG-CG 4.47Å; R18-F52 HydrophobicContact CG-CZ 3.97Å; R18-Y98 VanDerWaalsContact CD-CE1 3.5Å; R18-Y98 VanDerWaalsContact CD-O 3.32Å; R18-Y98 WeakPolarHBondContact CD-O 3.44Å; R18-Y98 HydrophobicContact CG-CE1 3.84Å; R18-Y98 HydrophobicContact CG-CE2 3.86Å; R18-Y98 VanDerWaalsContact CG-CZ 3.41Å; R18-Y98 VanDerWaalsContact CG-OH 3.31Å; R18-Y98 WeakPolarHBondContact CG-OH 3.33Å; R18-Y98 VanDerWaalsContact NE-CD2 3.31Å; R18-Y98 VanDerWaalsContact NH1-CA 3.32Å; R18-Y98 PolarHBondContact NH1-O 3.01Å; R18-E101 IonicContact CZ-OE2 2.78Å; R18-E101 IonicContact NH1-OE2 3.44Å; R18-E101 PolarHBondContact NH1-OE2 2.82Å; R18-E101 IonicContact NH2-OE1 2.7Å; R18-E101 IonicContact NH2-OE2 3.89Å; R18-E101 PolarHBondContact NH2-OE2 2.85Å; R18-Y324 PolarHBondContact NH2-OH 3.42Å
19	Q	97.4	Very high	96.5	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-47.8	-178.9	-61.9	-176.9	-1.4	0	0	110.6	F16 F17 L21 V22 L23 Y324 F328 H331	F16-Q19 HydrophobicContact CB-CB 4.37Å; F16-Q19 HydrophobicContact CB-CG 4.35Å; F16-Q19 WeakPolarHBondContact O-CB 3.28Å; F16-Q19 PolarHBondContact O-N 3.27Å; F16-Q19 VanDerWaalsContact O-N 3.09Å; F17-Q19 PolarHBondContact O-N 3.17Å; Q19-L21 PolarHBondContact O-N 3.47Å; Q19-V22 PolarHBondContact O-N 2.84Å; Q19-L23 WeakPolarHBondContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CG 3.43Å; Q19-L23 PolarHBondContact O-N 3.16Å; Q19-Y324 HydrophobicContact CG-CE1 4.44Å; Q19-Y324 HydrophobicContact CG-CE2 4.02Å; Q19-Y324 VanDerWaalsContact NE2-CE1 3.27Å; Q19-Y324 PolarHBondContact NE2-O 2.93Å; Q19-F328 HydrophobicContact CB-CD2 3.93Å; Q19-F328 HydrophobicContact CB-CE2 4.22Å; Q19-F328 HydrophobicContact CG-CD2 3.72Å; Q19-F328 HydrophobicContact CG-CE2 4.23Å; Q19-H331 PolarHBondContact OE1-ND1 3.41Å
20	R	97.9	Very high	96.5	Very high	14 Å²	14	30.1 Å²	30.1	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-44.1	-179.1	-66	168.1	-178.8	175.4	-2.4	111.8	Y11 D12 G13 N15 F16 F17 R18 S24 I33 H331 F335	Y11-R20 HydrophobicContact CD2-CG 4.22Å; Y11-R20 HydrophobicContact CE2-CG 4.32Å; Y11-R20 HydrophobicContact CG-CG 4.48Å; D12-R20 PolarHBondContact O-NH1 2.86Å; D12-R20 VanDerWaalsContact O-NH1 3.11Å; D12-R20 PolarHBondContact O-NH2 3.05Å; G13-R20 PolarHBondContact O-NH1 3.32Å; G13-R20 VanDerWaalsContact O-NH1 3.12Å; N15-R20 PolarHBondContact O-NH1 3.32Å; F16-R20 PolarHBondContact O-N 3.36Å; F16-R20 VanDerWaalsContact O-N 3.14Å; F17-R20 PolarHBondContact O-N 2.93Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.45Å; R20-S24 WeakPolarHBondContact O-CB 3.43Å; R20-S24 PolarHBondContact O-N 2.78Å; R20-I33 HydrophobicContact CB-CD1 4.41Å; R20-H331 PolarHBondContact NE-NE2 3.2Å; R20-F335 WeakPolarHBondContact O-CZ 3.4Å
21	L	98	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.7	-44.4	179.1	-64.3	-174	0	0	0	112.2	F17 R18 Q19 L23 S24 T25 F52 I53 L56 L74 Y76	F17-L21 HydrophobicContact CD1-CD1 3.96Å; F17-L21 HydrophobicContact CE1-CD1 3.35Å; F17-L21 HydrophobicContact CE1-CG 4.33Å; F17-L21 HydrophobicContact CE2-CD1 4.37Å; F17-L21 HydrophobicContact CZ-CD1 3.58Å; F17-L21 HydrophobicContact CZ-CG 4.44Å; F17-L21 PolarHBondContact O-N 3.05Å; F17-L21 VanDerWaalsContact O-N 3.16Å; R18-L21 PolarHBondContact O-N 2.89Å; Q19-L21 PolarHBondContact O-N 3.47Å; L21-L23 PolarHBondContact O-N 2.63Å; L21-S24 WeakPolarHBondContact O-CB 3.42Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.4Å; L21-F52 HydrophobicContact CB-CE1 4.18Å; L21-F52 HydrophobicContact CD1-CD1 4.11Å; L21-F52 HydrophobicContact CD1-CE1 3.97Å; L21-I53 HydrophobicContact CD1-CG1 4.29Å; L21-L56 HydrophobicContact CB-CD1 3.68Å; L21-L56 HydrophobicContact CD1-CD1 3.85Å; L21-L56 HydrophobicContact CG-CD1 4.38Å; L21-L74 HydrophobicContact CD1-CD2 4.36Å; L21-L74 HydrophobicContact CD2-CD2 4.14Å; L21-Y76 HydrophobicContact CD2-CD1 3.68Å; L21-Y76 HydrophobicContact CD2-CD2 4.46Å; L21-Y76 HydrophobicContact CD2-CE1 4.4Å; L21-Y76 HydrophobicContact CD2-CG 3.72Å
22	V	98.1	Very high	96.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-46.5	177.2	168.6	0	0	0	0	111.4	R18 Q19 S24 T25 L26 F52 A102 M105 L106	R18-V22 WeakPolarHBondContact O-CB 3.3Å; R18-V22 VanDerWaalsContact O-CG2 3.3Å; R18-V22 WeakPolarHBondContact O-CG2 3.46Å; R18-V22 PolarHBondContact O-N 3.15Å; Q19-V22 PolarHBondContact O-N 2.84Å; V22-S24 VanDerWaalsContact C-N 3.34Å; V22-T25 WeakPolarHBondContact O-CB 3.45Å; V22-T25 PolarHBondContact O-N 2.9Å; V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 3.06Å; V22-F52 HydrophobicContact CG2-CZ 4.24Å; V22-A102 HydrophobicContact CG2-CB 3.66Å; V22-M105 HydrophobicContact CG1-CB 3.77Å; V22-M105 HydrophobicContact CG1-CG 4.46Å; V22-M105 HydrophobicContact CG1-SD 3.88Å; V22-L106 HydrophobicContact CG1-CD2 3.99Å; V22-L106 HydrophobicContact CG1-CG 4.23Å; V22-L106 HydrophobicContact CG2-CD1 4.42Å
23	L	97.9	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-34.9	178.5	-65.7	169.9	0	0	0	111.8	Q19 L21 L26 S27 L304 F328 H331 I332 F335 F336	Q19-L23 WeakPolarHBondContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CG 3.43Å; Q19-L23 PolarHBondContact O-N 3.16Å; L21-L23 PolarHBondContact O-N 2.63Å; L23-L26 PolarHBondContact O-N 2.96Å; L23-S27 VanDerWaalsContact O-CB 3.23Å; L23-S27 WeakPolarHBondContact O-CB 3.19Å; L23-S27 PolarHBondContact O-N 2.81Å; L23-S27 PolarHBondContact O-OG 3.03Å; L23-L304 HydrophobicContact CD2-CD1 3.66Å; L23-F328 HydrophobicContact CD1-CD2 4.13Å; L23-F328 HydrophobicContact CD1-CE2 3.79Å; L23-F328 HydrophobicContact CD1-CZ 4.45Å; L23-F328 HydrophobicContact CD2-CE2 3.97Å; L23-F328 HydrophobicContact CD2-CZ 3.91Å; L23-F328 HydrophobicContact CG-CE2 4Å; L23-F328 HydrophobicContact CG-CZ 4.44Å; L23-H331 HydrophobicContact CD1-CB 3.35Å; L23-I332 HydrophobicContact CD2-CG1 4.45Å; L23-F335 HydrophobicContact CB-CB 4.24Å; L23-F335 HydrophobicContact CB-CD1 4.17Å; L23-F335 HydrophobicContact CB-CD2 3.54Å; L23-F335 HydrophobicContact CB-CE1 4.4Å; L23-F335 HydrophobicContact CB-CE2 3.85Å; L23-F335 HydrophobicContact CB-CG 3.73Å; L23-F335 HydrophobicContact CB-CZ 4.26Å; L23-F335 HydrophobicContact CD1-CD2 3.88Å; L23-F335 HydrophobicContact CD1-CE2 4.26Å; L23-F335 HydrophobicContact CG-CD2 4.35Å; L23-F336 HydrophobicContact CD2-CD2 4.38Å; L23-F336 HydrophobicContact CD2-CE2 3.75Å
24	S	97.5	Very high	96.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-49.3	170.2	174.8	0	0	0	0	111.2	R20 L21 V22 L26 S27 G28 K29 Y76 P78	R20-S24 WeakPolarHBondContact O-CB 3.43Å; R20-S24 PolarHBondContact O-N 2.78Å; L21-S24 WeakPolarHBondContact O-CB 3.42Å; L21-S24 PolarHBondContact O-N 3.43Å; V22-S24 VanDerWaalsContact C-N 3.34Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.34Å; S24-S27 PolarHBondContact O-N 2.89Å; S24-S27 PolarHBondContact O-OG 2.88Å; S24-G28 WeakPolarHBondContact O-CA 3.3Å; S24-G28 PolarHBondContact O-N 3.35Å; S24-K29 WeakPolarHBondContact CB-O 3.37Å; S24-K29 PolarHBondContact O-N 3.43Å; S24-K29 PolarHBondContact OG-O 3.43Å; S24-Y76 VanDerWaalsContact OG-CD1 3.27Å; S24-Y76 WeakPolarHBondContact OG-CD1 3.43Å; S24-Y76 WeakPolarHBondContact OG-CE1 3.33Å; S24-P78 WeakPolarHBondContact O-CG 3.48Å
25	T	96.9	Very high	96.8	Very high	9 Å²	9	30.7 Å²	30.7	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-44	177.1	-49.2	0	0	0	0	112.4	L21 V22 T60 Y76 L81 L106	L21-T25 PolarHBondContact O-N 2.94Å; L21-T25 PolarHBondContact O-OG1 3.4Å; V22-T25 WeakPolarHBondContact O-CB 3.45Å; V22-T25 PolarHBondContact O-N 2.9Å; T25-T60 HydrophobicContact CG2-CG2 3.88Å; T25-Y76 PolarHBondContact OG1-OH 2.66Å; T25-L81 HydrophobicContact CG2-CD1 4.26Å; T25-L81 HydrophobicContact CG2-CD2 3.68Å; T25-L81 HydrophobicContact CG2-CG 3.92Å; T25-L106 HydrophobicContact CG2-CD2 3.98Å
26	L	96.6	Very high	97	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-74.2	-38.9	-177.6	-69.3	162.8	0	0	0	112.8	V22 L23 S24 L81 L106 F109 L304 L308 F336 Y367	V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 3.06Å; L23-L26 PolarHBondContact O-N 2.96Å; S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.34Å; L26-L81 HydrophobicContact CD2-CD1 4.25Å; L26-L106 HydrophobicContact CD1-CD2 4.02Å; L26-L106 HydrophobicContact CD2-CD2 3.86Å; L26-L106 HydrophobicContact CG-CD2 3.65Å; L26-F109 HydrophobicContact CD2-CB 4.36Å; L26-F109 HydrophobicContact CD2-CD2 3.57Å; L26-F109 HydrophobicContact CD2-CE2 4.11Å; L26-F109 HydrophobicContact CD2-CG 4.21Å; L26-L304 HydrophobicContact CD1-CD1 4.12Å; L26-L304 HydrophobicContact CD1-CD2 3.86Å; L26-L304 HydrophobicContact CD1-CG 4.46Å; L26-L308 HydrophobicContact CD1-CD1 4.01Å; L26-L308 HydrophobicContact CD2-CD1 4.24Å; L26-F336 HydrophobicContact CB-CZ 3.88Å; L26-Y367 WeakPolarHBondContact O-CE2 3.26Å; L26-Y367 PolarHBondContact O-OH 3.18Å; L26-Y367 VanDerWaalsContact O-OH 3.08Å
27	S	95.4	Very high	97	Very high	33 Å²	33	24.5 Å²	24.5	23%	0.231	13%	0.129	C	C	.	.	H	α-helix	trans	-82.3	-17.6	-178.8	63.5	0	0	0	0	114.1	L23 S24 K29 F335	L23-S27 VanDerWaalsContact O-CB 3.23Å; L23-S27 WeakPolarHBondContact O-CB 3.19Å; L23-S27 PolarHBondContact O-N 2.81Å; L23-S27 PolarHBondContact O-OG 3.03Å; S24-S27 PolarHBondContact O-N 2.89Å; S24-S27 PolarHBondContact O-OG 2.88Å; S27-K29 PolarHBondContact O-N 2.94Å; S27-K29 PolarHBondContact OG-N 3.25Å; S27-F335 VanDerWaalsContact OG-CD1 3.32Å; S27-F335 WeakPolarHBondContact OG-CD1 3.44Å
28	G	94.6	Very high	96.9	Very high	48 Å²	48	27 Å²	27	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	7.2	-172.1	0	0	0	0	0	114.1	S24	S24-G28 WeakPolarHBondContact O-CA 3.3Å; S24-G28 PolarHBondContact O-N 3.35Å
29	K	95.7	Very high	96.8	Very high	62 Å²	62	37 Å²	37	27%	0.27	19%	0.185	S	C	.	.			trans	-86.6	132.1	179.3	-68.2	-179.4	173.6	175.1	0	111.4	L9 S24 S27 D334 F335	L9-K29 HydrophobicContact CD1-CD 4.18Å; S24-K29 WeakPolarHBondContact CB-O 3.37Å; S24-K29 PolarHBondContact O-N 3.43Å; S24-K29 PolarHBondContact OG-O 3.43Å; S27-K29 PolarHBondContact O-N 2.94Å; S27-K29 PolarHBondContact OG-N 3.25Å; K29-D334 PolarHBondContact NZ-O 2.92Å; K29-D334 VanDerWaalsContact NZ-O 3.1Å; K29-F335 HydrophobicContact CB-CD1 4.25Å; K29-F335 HydrophobicContact CB-CE1 4.5Å; K29-F335 HydrophobicContact CD-CD1 4.38Å; K29-F335 WeakPolarHBondContact CE-O 3.2Å; K29-F335 PolarHBondContact NZ-O 2.92Å
30	N	96.8	Very high	96.7	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.128	20%	0.203	C	C	.	.			trans	-67.3	147.1	177.2	-41.1	-3.6	0	0	0	110.3	G8 L9 F75 Y76	G8-N30 CarbonylContact C-O 3.5Å; G8-N30 WeakPolarHBondContact CA-O 3.48Å; L9-N30 PolarHBondContact N-O 3.12Å; N30-F75 HydrophobicContact CB-CE2 4.24Å; N30-F75 HydrophobicContact CB-CZ 4.29Å; N30-Y76 CarbonylContact C-O 3.59Å; N30-Y76 WeakPolarHBondContact CA-O 3.23Å
31	V	97.6	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.4	179.3	160.9	0	0	0	0	111	L9 Y11 I33 Y76 F335	L9-V31 HydrophobicContact CB-CG2 4.23Å; L9-V31 CarbonylContact O-C 3.58Å; L9-V31 WeakPolarHBondContact O-CA 3.36Å; Y11-V31 HydrophobicContact CD2-CG1 4.27Å; Y11-V31 HydrophobicContact CE2-CG2 4.4Å; V31-I33 HydrophobicContact CG1-CD1 4.15Å; V31-I33 HydrophobicContact CG1-CG1 3.61Å; V31-Y76 PolarHBondContact N-O 2.85Å; V31-Y76 PolarHBondContact O-N 2.83Å; V31-F335 HydrophobicContact CG2-CE1 3.55Å; V31-F335 HydrophobicContact CG2-CZ 3.47Å; V31-F335 VanDerWaalsContact CG2-CZ 3.47Å
32	K	97.8	Very high	96.3	Very high	83 Å²	83	54.3 Å²	54.3	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.7	167.1	-171.4	171.7	-175.5	167.7	0	109.7	L9 T10 Y11 K34 V73 L74 F75	L9-K32 PolarHBondContact O-N 2.96Å; T10-K32 CarbonylContact C-O 3.6Å; T10-K32 VanDerWaalsContact CA-O 3.27Å; T10-K32 WeakPolarHBondContact CA-O 3.32Å; Y11-K32 PolarHBondContact N-O 2.93Å; K32-K34 HydrophobicContact CG-CG 4.29Å; K32-V73 HydrophobicContact CG-CG1 4.29Å; K32-L74 CarbonylContact C-O 3.53Å; K32-L74 VanDerWaalsContact CA-O 3.32Å; K32-L74 WeakPolarHBondContact CA-O 3.23Å; K32-F75 HydrophobicContact CB-CD2 4.34Å
33	I	97.9	Very high	96.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.7	175.3	-51.8	-179.2	0	0	0	107.9	Y11 G13 F17 R20 V31 I36 V73 L74	Y11-I33 CarbonylContact O-C 3.55Å; Y11-I33 WeakPolarHBondContact O-CA 3.34Å; G13-I33 WeakPolarHBondContact O-CG2 3.44Å; F17-I33 HydrophobicContact CD2-CD1 3.61Å; F17-I33 HydrophobicContact CE2-CD1 3.75Å; R20-I33 HydrophobicContact CB-CD1 4.41Å; V31-I33 HydrophobicContact CG1-CD1 4.15Å; V31-I33 HydrophobicContact CG1-CG1 3.61Å; I33-I36 HydrophobicContact CB-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CD1 3.95Å; I33-I36 HydrophobicContact CG2-CG1 3.77Å; I33-V73 CarbonylContact O-C 3.56Å; I33-V73 VanDerWaalsContact O-CA 3.28Å; I33-V73 WeakPolarHBondContact O-CA 3.29Å; I33-L74 HydrophobicContact CB-CB 4.5Å; I33-L74 HydrophobicContact CD1-CD2 4.47Å; I33-L74 PolarHBondContact N-O 2.99Å; I33-L74 PolarHBondContact O-N 3.02Å
34	K	97.6	Very high	96	Very high	77 Å²	77	57.8 Å²	57.8	34%	0.335	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	166.8	-179.4	-61.7	178	-175.5	173.1	0	110.9	T10 Y11 D12 G13 K32 I36 T72 V73	T10-K34 HydrophobicContact CG2-CD 4.03Å; T10-K34 HydrophobicContact CG2-CG 4.39Å; Y11-K34 PolarHBondContact O-N 2.91Å; D12-K34 CarbonylContact C-O 3.42Å; D12-K34 WeakPolarHBondContact CA-O 3.32Å; G13-K34 PolarHBondContact N-O 2.89Å; K32-K34 HydrophobicContact CG-CG 4.29Å; K34-I36 PolarHBondContact O-N 3.4Å; K34-T72 CarbonylContact C-O 3.44Å; K34-V73 HydrophobicContact CG-CG1 4.39Å
35	N	96.8	Very high	95.9	Very high	89 Å²	89	59.2 Å²	59.2	48%	0.476	30%	0.304	S	S	.	.			trans	54.5	37.9	172.4	-59.9	-45.3	0	0	0	113.3	D12 R37 T72	D12-N35 PolarHBondContact OD1-ND2 3.23Å; N35-R37 PolarHBondContact O-N 2.81Å; N35-T72 PolarHBondContact N-O 3.39Å; N35-T72 VanDerWaalsContact N-O 3.08Å
36	I	97.4	Very high	95.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	104.1	176	-55.4	175.3	0	0	0	107.6	C14 F17 I33 K34 S38 G44 L45 T72 L74	C14-I36 HydrophobicContact CB-CG2 3.95Å; F17-I36 HydrophobicContact CE2-CD1 4.42Å; I33-I36 HydrophobicContact CB-CD1 4.24Å; I33-I36 HydrophobicContact CG2-CD1 3.95Å; I33-I36 HydrophobicContact CG2-CG1 3.77Å; K34-I36 PolarHBondContact O-N 3.4Å; I36-S38 PolarHBondContact O-N 2.94Å; I36-S38 VanDerWaalsContact O-N 3.1Å; I36-G44 WeakPolarHBondContact CG2-O 3.02Å; I36-G44 VanDerWaalsContact O-CA 3.23Å; I36-G44 WeakPolarHBondContact O-CA 3.35Å; I36-G44 PolarHBondContact O-N 2.77Å; I36-L45 HydrophobicContact CD1-CD2 3.78Å; I36-L45 HydrophobicContact CD1-CG 4.15Å; I36-L45 HydrophobicContact CG2-CD2 4.16Å; I36-L45 HydrophobicContact CG2-CG 4.47Å; I36-T72 WeakPolarHBondContact CG1-O 3.39Å; I36-T72 PolarHBondContact N-O 3.14Å; I36-L74 HydrophobicContact CD1-CB 4.13Å
37	R	97.1	Very high	95.9	Very high	36 Å²	36	66.2 Å²	66.2	14%	0.136	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	34.7	179.6	-63.1	-178.2	-166.8	81.6	5	113.4	C14 N35 R39 D40 P43 G44 E49	C14-R37 HydrophobicContact CB-CG 4.44Å; N35-R37 PolarHBondContact O-N 2.81Å; R37-R39 PolarHBondContact O-N 3.45Å; R37-D40 HydrophobicContact CB-CB 4.09Å; R37-D40 WeakPolarHBondContact CB-OD2 3.14Å; R37-D40 WeakPolarHBondContact CD-OD2 3.28Å; R37-D40 WeakPolarHBondContact CG-OD2 3.26Å; R37-D40 PolarHBondContact O-N 3.03Å; R37-D40 VanDerWaalsContact O-N 3.11Å; R37-P43 VanDerWaalsContact O-CA 3.3Å; R37-P43 WeakPolarHBondContact O-CA 3.45Å; R37-G44 PolarHBondContact NH1-O 2.82Å; R37-E49 IonicContact CZ-OE1 2.74Å; R37-E49 IonicContact CZ-OE2 3.27Å; R37-E49 IonicContact NH1-OE1 3.1Å; R37-E49 PolarHBondContact NH1-OE1 3.42Å; R37-E49 IonicContact NH1-OE2 2.81Å; R37-E49 PolarHBondContact NH1-OE2 3.26Å; R37-E49 IonicContact NH2-OE1 3.34Å; R37-E49 PolarHBondContact NH2-OE1 3.24Å; R37-E49 IonicContact NH2-OE2 3.21Å
38	S	94.7	Very high	96	Very high	57 Å²	57	65.3 Å²	65.3	40%	0.399	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-8	-174.6	59.8	0	0	0	0	114.5	I36	I36-S38 PolarHBondContact O-N 2.94Å; I36-S38 VanDerWaalsContact O-N 3.1Å
39	R	94.2	Very high	96.1	Very high	237 Å²	237	63.2 Å²	63.2	89%	0.894	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-3.8	178.4	-60	-177.3	-178.2	177.8	0.1	113.1	R37	R37-R39 PolarHBondContact O-N 3.45Å
40	D	95.1	Very high	96.2	Very high	75 Å²	75	61.3 Å²	61.3	40%	0.401	30%	0.301	S	S	.	.	S	Bend	trans	-80.8	155.5	178.9	-64.3	21.6	0	0	0	109.5	R37 E42 R46	R37-D40 HydrophobicContact CB-CB 4.09Å; R37-D40 WeakPolarHBondContact CB-OD2 3.14Å; R37-D40 WeakPolarHBondContact CD-OD2 3.28Å; R37-D40 WeakPolarHBondContact CG-OD2 3.26Å; R37-D40 PolarHBondContact O-N 3.03Å; R37-D40 VanDerWaalsContact O-N 3.11Å; D40-E42 PolarHBondContact O-N 3.45Å; D40-R46 IonicContact OD2-NH2 2.69Å
41	D	93.4	Very high	96.3	Very high	173 Å²	173	60.4 Å²	60.4	93%	0.925	30%	0.297	S	S	*	.	S	Bend	trans	-59.4	-34	174.3	-63.1	-31.7	0	0	0	112.1	P43	D41-P43 VanDerWaalsContact O-CD 3.28Å; D41-P43 WeakPolarHBondContact O-CD 3.33Å
42	E	92.4	Very high	96.3	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	30%	0.297	S	S	*	.	S	Bend	trans	-109.5	89.4	171.6	-68.1	-178.6	164.2	0	0	109.5	D40 R46	D40-E42 PolarHBondContact O-N 3.45Å; E42-R46 IonicContact OE2-CZ 2.79Å; E42-R46 IonicContact OE2-NH1 3.05Å; E42-R46 PolarHBondContact OE2-NH1 2.99Å
43	P	94.9	Very high	96.3	Very high	71 Å²	71	57 Å²	57	46%	0.461	28%	0.283	S	S	.	.			trans	-75.1	155.8	-174.7	30.3	-36.1	0	0	0	112.7	R37 D41 T72	R37-P43 VanDerWaalsContact O-CA 3.3Å; R37-P43 WeakPolarHBondContact O-CA 3.45Å; D41-P43 VanDerWaalsContact O-CD 3.28Å; D41-P43 WeakPolarHBondContact O-CD 3.33Å; P43-T72 HydrophobicContact CB-CG2 4.04Å
44	G	96.2	Very high	96.3	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.021	31%	0.311	C	S	.	.	S	Bend	trans	97.1	-161.1	171.1	0	0	0	0	0	115.6	I36 R37 G71	I36-G44 WeakPolarHBondContact CG2-O 3.02Å; I36-G44 VanDerWaalsContact O-CA 3.23Å; I36-G44 WeakPolarHBondContact O-CA 3.35Å; I36-G44 PolarHBondContact O-N 2.77Å; R37-G44 PolarHBondContact NH1-O 2.82Å; G44-G71 CarbonylContact C-O 3.56Å; G44-G71 VanDerWaalsContact CA-C 3.49Å; G44-G71 VanDerWaalsContact CA-O 3.23Å; G44-G71 WeakPolarHBondContact CA-O 3.4Å
45	L	96.1	Very high	96.3	Very high	31 Å²	31	61 Å²	61	16%	0.162	30%	0.296	C	S	.	.			trans	-68.1	140.8	-180	-71.2	167.5	0	0	0	111.1	F17 I36 E49 I53 I67 G71	F17-L45 HydrophobicContact CE2-CD2 3.69Å; F17-L45 HydrophobicContact CZ-CD2 3.74Å; I36-L45 HydrophobicContact CD1-CD2 3.78Å; I36-L45 HydrophobicContact CD1-CG 4.15Å; I36-L45 HydrophobicContact CG2-CD2 4.16Å; I36-L45 HydrophobicContact CG2-CG 4.47Å; L45-E49 WeakPolarHBondContact CA-OE2 3.43Å; L45-E49 HydrophobicContact CD2-CB 3.91Å; L45-I53 HydrophobicContact CD1-CD1 3.89Å; L45-I67 HydrophobicContact CD1-CD1 3.73Å; L45-I67 HydrophobicContact CD1-CG1 4.05Å; L45-I67 HydrophobicContact CD1-CG2 3.97Å; L45-G71 PolarHBondContact N-O 2.88Å; L45-G71 VanDerWaalsContact N-O 3.11Å
46	R	96.8	Very high	96.3	Very high	63 Å²	63	56.8 Å²	56.8	24%	0.238	27%	0.273	C	S	.	.			trans	-86	161	170	-60.4	-65.4	-177.1	177.1	-1.9	110.5	D40 E42 F48 E49 A50	D40-R46 IonicContact OD2-NH2 2.69Å; E42-R46 IonicContact OE2-CZ 2.79Å; E42-R46 IonicContact OE2-NH1 3.05Å; E42-R46 PolarHBondContact OE2-NH1 2.99Å; R46-F48 VanDerWaalsContact C-N 3.27Å; R46-F48 HydrophobicContact CB-CD1 3.68Å; R46-F48 HydrophobicContact CB-CE1 3.34Å; R46-F48 HydrophobicContact CB-CZ 3.97Å; R46-F48 HydrophobicContact CG-CE1 3.81Å; R46-F48 HydrophobicContact CG-CZ 4.3Å; R46-F48 PolarHBondContact O-N 3.1Å; R46-E49 PolarHBondContact N-OE2 3.48Å; R46-E49 WeakPolarHBondContact O-CB 3.39Å; R46-E49 PolarHBondContact O-N 2.96Å; R46-A50 PolarHBondContact O-N 2.82Å
47	D	96.4	Very high	96.3	Very high	96 Å²	96	60.8 Å²	60.8	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-33.4	-175.7	-64.1	-35.3	0	0	0	113.3	E49 A50 S51 N91	D47-E49 VanDerWaalsContact C-N 3.32Å; D47-E49 PolarHBondContact O-N 3.41Å; D47-A50 PolarHBondContact O-N 2.78Å; D47-S51 VanDerWaalsContact O-CB 3.27Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 3.01Å; D47-N91 WeakPolarHBondContact CB-ND2 3.44Å
48	F	96.6	Very high	96.2	Very high	15 Å²	15	64.2 Å²	64.2	7%	0.066	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-33.8	173.5	68.6	-95.4	0	0	0	112.7	R46 F52 N91 Q93 R94 Y98 Y99	R46-F48 VanDerWaalsContact C-N 3.27Å; R46-F48 HydrophobicContact CB-CD1 3.68Å; R46-F48 HydrophobicContact CB-CE1 3.34Å; R46-F48 HydrophobicContact CB-CZ 3.97Å; R46-F48 HydrophobicContact CG-CE1 3.81Å; R46-F48 HydrophobicContact CG-CZ 4.3Å; R46-F48 PolarHBondContact O-N 3.1Å; F48-F52 WeakPolarHBondContact O-CB 3.48Å; F48-F52 PolarHBondContact O-N 3.5Å; F48-N91 HydrophobicContact CB-CB 4.06Å; F48-Q93 HydrophobicContact CB-CB 4.2Å; F48-Q93 HydrophobicContact CD1-CB 3.88Å; F48-Q93 HydrophobicContact CG-CB 4.45Å; F48-R94 HydrophobicContact CB-CB 4.26Å; F48-R94 HydrophobicContact CB-CG 3.84Å; F48-R94 HydrophobicContact CD1-CG 4.11Å; F48-R94 HydrophobicContact CD2-CG 3.63Å; F48-R94 HydrophobicContact CE2-CG 4.22Å; F48-R94 HydrophobicContact CG-CG 3.59Å; F48-Y98 HydrophobicContact CD2-CE1 4.1Å; F48-Y98 HydrophobicContact CD2-CE2 4.25Å; F48-Y98 AromaticContact CD2-CZ 3.75Å; F48-Y98 HydrophobicContact CE2-CE2 4.27Å; F48-Y99 PolarHBondContact O-OH 3.46Å
49	E	97.7	Very high	96.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-72.3	-43.3	176.1	-60.1	170.5	153.6	0	0	110.3	F17 R37 L45 R46 D47 S51 F52 I53	F17-E49 HydrophobicContact CD1-CB 4.34Å; F17-E49 HydrophobicContact CD1-CG 4.35Å; F17-E49 HydrophobicContact CE1-CB 4.03Å; F17-E49 HydrophobicContact CZ-CB 4.45Å; R37-E49 IonicContact CZ-OE1 2.74Å; R37-E49 IonicContact CZ-OE2 3.27Å; R37-E49 IonicContact NH1-OE1 3.1Å; R37-E49 PolarHBondContact NH1-OE1 3.42Å; R37-E49 IonicContact NH1-OE2 2.81Å; R37-E49 PolarHBondContact NH1-OE2 3.26Å; R37-E49 IonicContact NH2-OE1 3.34Å; R37-E49 PolarHBondContact NH2-OE1 3.24Å; R37-E49 IonicContact NH2-OE2 3.21Å; L45-E49 WeakPolarHBondContact CA-OE2 3.43Å; L45-E49 HydrophobicContact CD2-CB 3.91Å; R46-E49 PolarHBondContact N-OE2 3.48Å; R46-E49 WeakPolarHBondContact O-CB 3.39Å; R46-E49 PolarHBondContact O-N 2.96Å; D47-E49 VanDerWaalsContact C-N 3.32Å; D47-E49 PolarHBondContact O-N 3.41Å; E49-S51 VanDerWaalsContact C-N 3.32Å; E49-S51 PolarHBondContact O-N 2.77Å; E49-F52 WeakPolarHBondContact O-CB 3.43Å; E49-F52 PolarHBondContact O-N 3.46Å; E49-F52 VanDerWaalsContact O-N 3.12Å; E49-I53 VanDerWaalsContact O-CG1 3.31Å; E49-I53 WeakPolarHBondContact O-CG1 3.27Å; E49-I53 PolarHBondContact O-N 3.42Å
50	A	97	Very high	96.4	Very high	21 Å²	21	50.7 Å²	50.7	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-40.9	173.2	0	0	0	0	0	111.9	R46 D47 F52 I53 R54	R46-A50 PolarHBondContact O-N 2.82Å; D47-A50 PolarHBondContact O-N 2.78Å; A50-F52 VanDerWaalsContact C-N 3.34Å; A50-I53 PolarHBondContact O-N 3.28Å; A50-R54 WeakPolarHBondContact O-CG 3.38Å; A50-R54 PolarHBondContact O-N 3.02Å
51	S	98.1	Very high	96.3	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-41.6	172.1	160.4	0	0	0	0	111.5	D47 E49 I53 R54 L55 H88 Y99	D47-S51 VanDerWaalsContact O-CB 3.27Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 3.01Å; E49-S51 VanDerWaalsContact C-N 3.32Å; E49-S51 PolarHBondContact O-N 2.77Å; S51-I53 PolarHBondContact O-N 3.34Å; S51-R54 WeakPolarHBondContact O-CB 3.35Å; S51-R54 PolarHBondContact O-N 2.98Å; S51-L55 PolarHBondContact O-N 2.75Å; S51-H88 PolarHBondContact O-CE1 2.84Å; S51-H88 PolarHBondContact O-NE2 3.26Å; S51-H88 PolarHBondContact OG-NE2 2.91Å; S51-Y99 WeakPolarHBondContact CB-OH 3.47Å; S51-Y99 VanDerWaalsContact OG-CE1 3.25Å; S51-Y99 WeakPolarHBondContact OG-CE1 3.5Å; S51-Y99 PolarHBondContact OG-OH 3.48Å
52	F	98.4	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-42.1	176.7	-179.7	-107.7	0	0	0	112.8	F17 R18 L21 V22 F48 E49 A50 R54 L55 L56 Y98 Y99 A102	F17-F52 HydrophobicContact CD1-CD1 4.28Å; F17-F52 HydrophobicContact CE1-CD1 4.14Å; R18-F52 HydrophobicContact CB-CE1 4.2Å; R18-F52 HydrophobicContact CB-CZ 4.14Å; R18-F52 HydrophobicContact CG-CD1 4.23Å; R18-F52 HydrophobicContact CG-CD2 4.46Å; R18-F52 HydrophobicContact CG-CE1 3.96Å; R18-F52 HydrophobicContact CG-CE2 4.23Å; R18-F52 HydrophobicContact CG-CG 4.47Å; R18-F52 HydrophobicContact CG-CZ 3.97Å; L21-F52 HydrophobicContact CB-CE1 4.18Å; L21-F52 HydrophobicContact CD1-CD1 4.11Å; L21-F52 HydrophobicContact CD1-CE1 3.97Å; V22-F52 HydrophobicContact CG2-CZ 4.24Å; F48-F52 WeakPolarHBondContact O-CB 3.48Å; F48-F52 PolarHBondContact O-N 3.5Å; E49-F52 WeakPolarHBondContact O-CB 3.43Å; E49-F52 PolarHBondContact O-N 3.46Å; E49-F52 VanDerWaalsContact O-N 3.12Å; A50-F52 VanDerWaalsContact C-N 3.34Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.12Å; F52-L55 WeakPolarHBondContact O-CB 2.98Å; F52-L55 PolarHBondContact O-N 3Å; F52-L55 VanDerWaalsContact O-N 3.1Å; F52-L56 HydrophobicContact CD1-CD1 4.26Å; F52-L56 HydrophobicContact CE1-CD1 3.68Å; F52-L56 HydrophobicContact CE1-CG 4.13Å; F52-L56 HydrophobicContact CZ-CD1 4.07Å; F52-L56 HydrophobicContact CZ-CD2 4.19Å; F52-L56 HydrophobicContact CZ-CG 4.13Å; F52-L56 PolarHBondContact O-N 3.25Å; F52-Y98 HydrophobicContact CB-CE1 4Å; F52-Y98 HydrophobicContact CD2-CE1 4.15Å; F52-Y98 HydrophobicContact CG-CE1 4.12Å; F52-Y99 HydrophobicContact CB-CD1 4.38Å; F52-Y99 HydrophobicContact CB-CE1 4Å; F52-Y99 HydrophobicContact CD2-CD1 4.02Å; F52-Y99 HydrophobicContact CD2-CE1 4.47Å; F52-A102 HydrophobicContact CE2-CB 3.41Å; F52-A102 VanDerWaalsContact CE2-CB 3.41Å; F52-A102 HydrophobicContact CZ-CB 3.66Å
53	I	97.6	Very high	96.4	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-45.4	173.2	-67.5	169.6	0	0	0	110.6	F17 L21 L45 E49 A50 S51 L55 L56 D57 I65 I67 L74	F17-I53 HydrophobicContact CE1-CD1 4.43Å; F17-I53 HydrophobicContact CE1-CG1 4.11Å; F17-I53 HydrophobicContact CZ-CD1 3.93Å; F17-I53 HydrophobicContact CZ-CG1 4.03Å; L21-I53 HydrophobicContact CD1-CG1 4.29Å; L45-I53 HydrophobicContact CD1-CD1 3.89Å; E49-I53 VanDerWaalsContact O-CG1 3.31Å; E49-I53 WeakPolarHBondContact O-CG1 3.27Å; E49-I53 PolarHBondContact O-N 3.42Å; A50-I53 PolarHBondContact O-N 3.28Å; S51-I53 PolarHBondContact O-N 3.34Å; I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 PolarHBondContact O-N 2.78Å; I53-L56 WeakPolarHBondContact O-CB 3.43Å; I53-L56 PolarHBondContact O-N 3.42Å; I53-D57 PolarHBondContact O-N 3.36Å; I53-I65 HydrophobicContact CG2-CD1 3.56Å; I53-I65 HydrophobicContact CG2-CG2 3.6Å; I53-I67 HydrophobicContact CD1-CD1 4.07Å; I53-L74 HydrophobicContact CD1-CD1 4.19Å; I53-L74 HydrophobicContact CD1-CD2 4.12Å
54	R	97.8	Very high	96.5	Very high	159 Å²	159	44.5 Å²	44.5	60%	0.6	23%	0.226	S	C	*	.	H	α-helix	trans	-63.4	-32.3	176.1	-67.3	174	-165.8	134.8	2.8	112.5	A50 S51 F52 K58	A50-R54 WeakPolarHBondContact O-CG 3.38Å; A50-R54 PolarHBondContact O-N 3.02Å; S51-R54 WeakPolarHBondContact O-CB 3.35Å; S51-R54 PolarHBondContact O-N 2.98Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.12Å; R54-K58 WeakPolarHBondContact O-CG 3.44Å; R54-K58 PolarHBondContact O-N 2.89Å; R54-K58 VanDerWaalsContact O-N 3.15Å
55	L	98.1	Very high	96.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-46.2	173	176.5	61.3	0	0	0	110.8	S51 F52 I53 D57 K58 V59 V86 H88 Y99 L103	S51-L55 PolarHBondContact O-N 2.75Å; F52-L55 WeakPolarHBondContact O-CB 2.98Å; F52-L55 PolarHBondContact O-N 3Å; F52-L55 VanDerWaalsContact O-N 3.1Å; I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 PolarHBondContact O-N 2.78Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.01Å; L55-K58 WeakPolarHBondContact O-CB 3.41Å; L55-K58 PolarHBondContact O-N 3.08Å; L55-V59 HydrophobicContact CD1-CG1 4.35Å; L55-V59 PolarHBondContact O-N 3.3Å; L55-V86 HydrophobicContact CD1-CG1 4.26Å; L55-H88 HydrophobicContact CD1-CB 3.9Å; L55-H88 PolarHBondContact N-CE1 2.78Å; L55-Y99 HydrophobicContact CD2-CD1 3.82Å; L55-Y99 HydrophobicContact CD2-CG 4.28Å; L55-L103 HydrophobicContact CD1-CD2 4.44Å; L55-L103 HydrophobicContact CD2-CD1 4.25Å; L55-L103 HydrophobicContact CD2-CD2 4.23Å; L55-L103 HydrophobicContact CD2-CG 4.17Å; L55-L103 HydrophobicContact CG-CD2 4.38Å
56	L	97.3	Very high	96.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-47.6	176.3	-70.4	-179.2	0	0	0	111	L21 F52 I53 K58 V59 T60 L106	L21-L56 HydrophobicContact CB-CD1 3.68Å; L21-L56 HydrophobicContact CD1-CD1 3.85Å; L21-L56 HydrophobicContact CG-CD1 4.38Å; F52-L56 HydrophobicContact CD1-CD1 4.26Å; F52-L56 HydrophobicContact CE1-CD1 3.68Å; F52-L56 HydrophobicContact CE1-CG 4.13Å; F52-L56 HydrophobicContact CZ-CD1 4.07Å; F52-L56 HydrophobicContact CZ-CD2 4.19Å; F52-L56 HydrophobicContact CZ-CG 4.13Å; F52-L56 PolarHBondContact O-N 3.25Å; I53-L56 WeakPolarHBondContact O-CB 3.43Å; I53-L56 PolarHBondContact O-N 3.42Å; L56-K58 VanDerWaalsContact C-N 3.26Å; L56-K58 PolarHBondContact O-N 2.91Å; L56-V59 VanDerWaalsContact O-CG2 3.24Å; L56-V59 WeakPolarHBondContact O-CG2 3.07Å; L56-V59 PolarHBondContact O-N 3.47Å; L56-T60 PolarHBondContact O-N 2.91Å; L56-T60 PolarHBondContact O-OG1 3.27Å; L56-L106 HydrophobicContact CD2-CD1 3.61Å
57	D	95.8	Very high	96.5	Very high	83 Å²	83	50 Å²	50	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-34.3	178.3	-163.9	55.3	0	0	0	113.1	I53 L55 S63 I65	I53-D57 PolarHBondContact O-N 3.36Å; L55-D57 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.01Å; D57-S63 PolarHBondContact OD1-OG 3.35Å; D57-I65 HydrophobicContact CB-CD1 4.13Å
58	K	96.3	Very high	96.4	Very high	108 Å²	108	48.1 Å²	48.1	47%	0.47	25%	0.245	S	C	.	.	H	α-helix	trans	-69.9	-30	174.5	-75.7	174.7	176.4	-174.6	0	114	R54 L55 L56 V86 E87	R54-K58 WeakPolarHBondContact O-CG 3.44Å; R54-K58 PolarHBondContact O-N 2.89Å; R54-K58 VanDerWaalsContact O-N 3.15Å; L55-K58 WeakPolarHBondContact O-CB 3.41Å; L55-K58 PolarHBondContact O-N 3.08Å; L56-K58 VanDerWaalsContact C-N 3.26Å; L56-K58 PolarHBondContact O-N 2.91Å; K58-V86 HydrophobicContact CB-CG1 4.2Å; K58-V86 HydrophobicContact CD-CG1 4.42Å; K58-E87 PolarHBondContact NZ-O 2.89Å
59	V	96.7	Very high	96.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-96	-13.1	-177.8	-60	0	0	0	0	113	L55 L56 Y82 V86 L103 M110 L114	L55-V59 HydrophobicContact CD1-CG1 4.35Å; L55-V59 PolarHBondContact O-N 3.3Å; L56-V59 VanDerWaalsContact O-CG2 3.24Å; L56-V59 WeakPolarHBondContact O-CG2 3.07Å; L56-V59 PolarHBondContact O-N 3.47Å; V59-Y82 PolarHBondContact O-N 3.39Å; V59-V86 HydrophobicContact CG1-CG1 4.35Å; V59-V86 HydrophobicContact CG1-CG2 4.18Å; V59-L103 HydrophobicContact CG1-CD2 4Å; V59-M110 HydrophobicContact CB-CE 3.82Å; V59-M110 HydrophobicContact CG1-CE 4.15Å; V59-M110 HydrophobicContact CG2-CE 4.26Å; V59-L114 HydrophobicContact CG1-CD1 4.45Å
60	T	95.1	Very high	95.8	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	159.4	174.4	55	0	0	0	0	112.4	T25 L56 S63 L80 L81	T25-T60 HydrophobicContact CG2-CG2 3.88Å; L56-T60 PolarHBondContact O-N 2.91Å; L56-T60 PolarHBondContact O-OG1 3.27Å; T60-S63 WeakPolarHBondContact OG1-CB 3.33Å; T60-S63 PolarHBondContact OG1-OG 3.06Å; T60-L80 CarbonylContact C-O 3.59Å; T60-L80 WeakPolarHBondContact CA-O 3.23Å; T60-L81 HydrophobicContact CG2-CD2 3.76Å
61	N	94.4	Very high	95.7	Very high	105 Å²	105	60.7 Å²	60.7	56%	0.561	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.7	170	-173.2	10.9	0	0	0	109.1	G79 L80	N61-G79 CarbonylContact O-C 3.54Å; N61-G79 WeakPolarHBondContact O-CA 3.35Å; N61-L80 PolarHBondContact N-O 2.86Å; N61-L80 PolarHBondContact O-N 3.49Å
62	G	92.6	Very high	95.6	Very high	62 Å²	62	61.5 Å²	61.5	64%	0.639	31%	0.314	S	S	*	.	S	Bend	trans	79.2	18	-177.6	0	0	0	0	0	114.9
63	S	95.1	Very high	95.5	Very high	21 Å²	21	63.2 Å²	63.2	15%	0.147	33%	0.325	C	S	.	.			trans	-65.2	139.7	167.4	32.9	0	0	0	0	110.6	D57 T60 Q77	D57-S63 PolarHBondContact OD1-OG 3.35Å; T60-S63 WeakPolarHBondContact OG1-CB 3.33Å; T60-S63 PolarHBondContact OG1-OG 3.06Å; S63-Q77 WeakPolarHBondContact CA-O 3.4Å
64	R	96.6	Very high	95.5	Very high	133 Å²	133	62.6 Å²	62.6	50%	0.502	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	169.3	177.7	-176.9	-179.8	-178.9	2.5	108.9	E66 Q77	R64-E66 HydrophobicContact CG-CG 4.32Å; R64-E66 IonicContact CZ-OE1 2.68Å; R64-E66 IonicContact NE-OE1 3.83Å; R64-E66 PolarHBondContact NE-OE1 3.1Å; R64-E66 IonicContact NH2-OE1 3.95Å; R64-E66 PolarHBondContact NH2-OE1 3.02Å; R64-Q77 HydrophobicContact CB-CB 4.16Å; R64-Q77 PolarHBondContact N-O 3.31Å; R64-Q77 PolarHBondContact O-N 3.44Å
65	I	96.6	Very high	95.5	Very high	45 Å²	45	57.6 Å²	57.6	23%	0.231	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.3	-174.3	-45.7	-169	0	0	0	107.7	I53 D57 L74 F75 Y76	I53-I65 HydrophobicContact CG2-CD1 3.56Å; I53-I65 HydrophobicContact CG2-CG2 3.6Å; D57-I65 HydrophobicContact CB-CD1 4.13Å; I65-L74 HydrophobicContact CG2-CD1 3.68Å; I65-F75 WeakPolarHBondContact CA-O 3.24Å; I65-Y76 HydrophobicContact CD1-CD2 4.08Å; I65-Y76 HydrophobicContact CD1-CE2 4.01Å; I65-Y76 HydrophobicContact CG1-CD2 3.89Å; I65-Y76 HydrophobicContact CG1-CE2 4.14Å
66	E	96.3	Very high	95.5	Very high	85 Å²	85	57.6 Å²	57.6	40%	0.397	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.6	179.9	-57.2	-176.2	160.1	0	0	109.8	R64 L74 F75	R64-E66 HydrophobicContact CG-CG 4.32Å; R64-E66 IonicContact CZ-OE1 2.68Å; R64-E66 IonicContact NE-OE1 3.83Å; R64-E66 PolarHBondContact NE-OE1 3.1Å; R64-E66 IonicContact NH2-OE1 3.95Å; R64-E66 PolarHBondContact NH2-OE1 3.02Å; E66-L74 CarbonylContact O-C 3.46Å; E66-L74 WeakPolarHBondContact O-CA 3.41Å; E66-F75 HydrophobicContact CB-CB 4.28Å; E66-F75 HydrophobicContact CG-CD1 4.46Å; E66-F75 PolarHBondContact N-O 2.97Å; E66-F75 PolarHBondContact O-N 2.84Å
67	I	96.3	Very high	95.5	Very high	81 Å²	81	61 Å²	61	42%	0.415	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.4	178	-59.1	167	0	0	0	106.5	L45 I53 L74	L45-I67 HydrophobicContact CD1-CD1 3.73Å; L45-I67 HydrophobicContact CD1-CG1 4.05Å; L45-I67 HydrophobicContact CD1-CG2 3.97Å; I53-I67 HydrophobicContact CD1-CD1 4.07Å; I67-L74 HydrophobicContact CD1-CD1 4.39Å; I67-L74 HydrophobicContact CG1-CD1 3.63Å
68	N	95.1	Very high	95.5	Very high	56 Å²	56	58 Å²	58	30%	0.299	31%	0.305	S	S	.	.			trans	-68.7	165.1	175.4	71.4	-22.8	0	0	0	111.4	T70 G71 T72 V73	N68-T70 PolarHBondContact ND2-OG1 3.41Å; N68-T70 VanDerWaalsContact ND2-OG1 3.12Å; N68-T70 PolarHBondContact O-N 2.9Å; N68-T70 VanDerWaalsContact O-N 3.07Å; N68-G71 PolarHBondContact O-N 3.03Å; N68-G71 WeakPolarHBondContact OD1-CA 3.5Å; N68-G71 PolarHBondContact OD1-N 2.86Å; N68-T72 PolarHBondContact ND2-OG1 3.36Å; N68-T72 PolarHBondContact OD1-N 3.31Å; N68-V73 HydrophobicContact CB-CB 4.28Å; N68-V73 PolarHBondContact N-O 2.89Å; N68-V73 PolarHBondContact OD1-N 2.78Å; N68-V73 PolarHBondContact OD1-O 3.14Å
69	Q	91.2	Very high	95.4	Very high	210 Å²	210	53.6 Å²	53.6	98%	0.981	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-34	-176.8	-68.4	177.1	-11.1	0	0	113.7
70	T	90.3	Very high	95.3	Very high	83 Å²	83	58.5 Å²	58.5	51%	0.509	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.2	-179.4	57.6	0	0	0	0	114	N68 T72	N68-T70 PolarHBondContact ND2-OG1 3.41Å; N68-T70 VanDerWaalsContact ND2-OG1 3.12Å; N68-T70 PolarHBondContact O-N 2.9Å; N68-T70 VanDerWaalsContact O-N 3.07Å; T70-T72 PolarHBondContact O-N 2.97Å; T70-T72 VanDerWaalsContact O-N 3.07Å; T70-T72 PolarHBondContact OG1-OG1 3.1Å
71	G	93.4	Very high	95.3	Very high	12 Å²	12	58.1 Å²	58.1	12%	0.124	31%	0.314	C	S	.	.	S	Bend	trans	66.9	4.9	-177.9	0	0	0	0	0	115.4	G44 L45 N68	G44-G71 CarbonylContact C-O 3.56Å; G44-G71 VanDerWaalsContact CA-C 3.49Å; G44-G71 VanDerWaalsContact CA-O 3.23Å; G44-G71 WeakPolarHBondContact CA-O 3.4Å; L45-G71 PolarHBondContact N-O 2.88Å; L45-G71 VanDerWaalsContact N-O 3.11Å; N68-G71 PolarHBondContact O-N 3.03Å; N68-G71 WeakPolarHBondContact OD1-CA 3.5Å; N68-G71 PolarHBondContact OD1-N 2.86Å
72	T	96.6	Very high	95.3	Very high	21 Å²	21	58.3 Å²	58.3	13%	0.129	31%	0.307	C	S	.	.	S	Bend	trans	-84.1	-13.8	-175.9	53.6	0	0	0	0	113.7	K34 N35 I36 P43 N68 T70	K34-T72 CarbonylContact C-O 3.44Å; N35-T72 PolarHBondContact N-O 3.39Å; N35-T72 VanDerWaalsContact N-O 3.08Å; I36-T72 WeakPolarHBondContact CG1-O 3.39Å; I36-T72 PolarHBondContact N-O 3.14Å; P43-T72 HydrophobicContact CB-CG2 4.04Å; N68-T72 PolarHBondContact ND2-OG1 3.36Å; N68-T72 PolarHBondContact OD1-N 3.31Å; T70-T72 PolarHBondContact O-N 2.97Å; T70-T72 VanDerWaalsContact O-N 3.07Å; T70-T72 PolarHBondContact OG1-OG1 3.1Å
73	V	97.4	Very high	95.2	Very high	36 Å²	36	55.9 Å²	55.9	22%	0.218	28%	0.282	C	S	.	.			trans	-131.3	126	178.2	-176.9	0	0	0	0	109.7	K32 I33 K34 N68	K32-V73 HydrophobicContact CG-CG1 4.29Å; I33-V73 CarbonylContact O-C 3.56Å; I33-V73 VanDerWaalsContact O-CA 3.28Å; I33-V73 WeakPolarHBondContact O-CA 3.29Å; K34-V73 HydrophobicContact CG-CG1 4.39Å; N68-V73 HydrophobicContact CB-CB 4.28Å; N68-V73 PolarHBondContact N-O 2.89Å; N68-V73 PolarHBondContact OD1-N 2.78Å; N68-V73 PolarHBondContact OD1-O 3.14Å
74	L	97.6	Very high	95.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.6	172.3	171.8	68.6	0	0	0	109.4	F17 L21 K32 I33 I36 I53 I65 E66 I67	F17-L74 HydrophobicContact CE2-CD2 3.48Å; F17-L74 VanDerWaalsContact CE2-CD2 3.48Å; F17-L74 HydrophobicContact CZ-CD2 3.42Å; F17-L74 VanDerWaalsContact CZ-CD2 3.42Å; L21-L74 HydrophobicContact CD1-CD2 4.36Å; L21-L74 HydrophobicContact CD2-CD2 4.14Å; K32-L74 CarbonylContact C-O 3.53Å; K32-L74 VanDerWaalsContact CA-O 3.32Å; K32-L74 WeakPolarHBondContact CA-O 3.23Å; I33-L74 HydrophobicContact CB-CB 4.5Å; I33-L74 HydrophobicContact CD1-CD2 4.47Å; I33-L74 PolarHBondContact N-O 2.99Å; I33-L74 PolarHBondContact O-N 3.02Å; I36-L74 HydrophobicContact CD1-CB 4.13Å; I53-L74 HydrophobicContact CD1-CD1 4.19Å; I53-L74 HydrophobicContact CD1-CD2 4.12Å; I65-L74 HydrophobicContact CG2-CD1 3.68Å; E66-L74 CarbonylContact O-C 3.46Å; E66-L74 WeakPolarHBondContact O-CA 3.41Å; I67-L74 HydrophobicContact CD1-CD1 4.39Å; I67-L74 HydrophobicContact CG1-CD1 3.63Å
75	F	97.8	Very high	95.2	Very high	53 Å²	53	54.7 Å²	54.7	23%	0.232	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.1	162.6	177.1	-101.3	0	0	0	109	N30 K32 I65 E66 Q77	N30-F75 HydrophobicContact CB-CE2 4.24Å; N30-F75 HydrophobicContact CB-CZ 4.29Å; K32-F75 HydrophobicContact CB-CD2 4.34Å; I65-F75 WeakPolarHBondContact CA-O 3.24Å; E66-F75 HydrophobicContact CB-CB 4.28Å; E66-F75 HydrophobicContact CG-CD1 4.46Å; E66-F75 PolarHBondContact N-O 2.97Å; E66-F75 PolarHBondContact O-N 2.84Å; F75-Q77 HydrophobicContact CE1-CB 4.03Å; F75-Q77 HydrophobicContact CZ-CB 4.29Å
76	Y	97.9	Very high	95.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.2	-179.5	178.1	-109.6	0	0	0	109.5	L21 S24 T25 N30 V31 I65 P78	L21-Y76 HydrophobicContact CD2-CD1 3.68Å; L21-Y76 HydrophobicContact CD2-CD2 4.46Å; L21-Y76 HydrophobicContact CD2-CE1 4.4Å; L21-Y76 HydrophobicContact CD2-CG 3.72Å; S24-Y76 VanDerWaalsContact OG-CD1 3.27Å; S24-Y76 WeakPolarHBondContact OG-CD1 3.43Å; S24-Y76 WeakPolarHBondContact OG-CE1 3.33Å; T25-Y76 PolarHBondContact OG1-OH 2.66Å; N30-Y76 CarbonylContact C-O 3.59Å; N30-Y76 WeakPolarHBondContact CA-O 3.23Å; V31-Y76 PolarHBondContact N-O 2.85Å; V31-Y76 PolarHBondContact O-N 2.83Å; I65-Y76 HydrophobicContact CD1-CD2 4.08Å; I65-Y76 HydrophobicContact CD1-CE2 4.01Å; I65-Y76 HydrophobicContact CG1-CD2 3.89Å; I65-Y76 HydrophobicContact CG1-CE2 4.14Å; Y76-P78 HydrophobicContact CE1-CB 3.85Å
77	Q	96.9	Very high	95.4	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116	169.2	178.8	177.8	-7.2	0	0	107.8	S63 R64 F75	S63-Q77 WeakPolarHBondContact CA-O 3.4Å; R64-Q77 HydrophobicContact CB-CB 4.16Å; R64-Q77 PolarHBondContact N-O 3.31Å; R64-Q77 PolarHBondContact O-N 3.44Å; F75-Q77 HydrophobicContact CE1-CB 4.03Å; F75-Q77 HydrophobicContact CZ-CB 4.29Å
78	P	95.3	Very high	95.5	Very high	20 Å²	20	51 Å²	51	13%	0.13	27%	0.274	C	S	.	.			trans	-69	143.9	-173.9	29.1	-36.3	0	0	0	112.1	S24 Y76	S24-P78 WeakPolarHBondContact O-CG 3.48Å; Y76-P78 HydrophobicContact CE1-CB 3.85Å
79	G	93.6	Very high	95.6	Very high	16 Å²	16	53.6 Å²	53.6	17%	0.165	29%	0.288	C	S	.	.			trans	-99.5	-174.4	170.7	0	0	0	0	0	112.5	N61	N61-G79 CarbonylContact O-C 3.54Å; N61-G79 WeakPolarHBondContact O-CA 3.35Å
80	L	94.8	Very high	95.9	Very high	103 Å²	103	44 Å²	44	54%	0.539	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.3	174.5	-65.9	176.5	0	0	0	110.8	T60 N61 Y82 I370 N371	T60-L80 CarbonylContact C-O 3.59Å; T60-L80 WeakPolarHBondContact CA-O 3.23Å; N61-L80 PolarHBondContact N-O 2.86Å; N61-L80 PolarHBondContact O-N 3.49Å; L80-Y82 PolarHBondContact O-N 2.79Å; L80-I370 HydrophobicContact CD2-CD1 4.21Å; L80-N371 WeakPolarHBondContact CA-OD1 3.46Å; L80-N371 WeakPolarHBondContact CB-OD1 3.45Å; L80-N371 WeakPolarHBondContact CD2-OD1 3.19Å
81	L	96.5	Very high	96.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.2	177.7	-74.9	168.4	0	0	0	110.3	T25 L26 T60 L106 F109 M110 K111 N371	T25-L81 HydrophobicContact CG2-CD1 4.26Å; T25-L81 HydrophobicContact CG2-CD2 3.68Å; T25-L81 HydrophobicContact CG2-CG 3.92Å; L26-L81 HydrophobicContact CD2-CD1 4.25Å; T60-L81 HydrophobicContact CG2-CD2 3.76Å; L81-L106 HydrophobicContact CD1-CB 4.49Å; L81-L106 HydrophobicContact CD1-CD2 4.17Å; L81-L106 HydrophobicContact CD2-CB 4.32Å; L81-L106 HydrophobicContact CD2-CD1 4.47Å; L81-L106 HydrophobicContact CD2-CD2 4.37Å; L81-F109 HydrophobicContact CD1-CB 4.22Å; L81-M110 HydrophobicContact CB-CB 4.45Å; L81-M110 HydrophobicContact CB-CG 3.99Å; L81-M110 HydrophobicContact CD2-CE 4.37Å; L81-M110 CarbonylContact O-C 3.55Å; L81-K111 PolarHBondContact O-N 3.36Å; L81-N371 PolarHBondContact N-OD1 3.41Å; L81-N371 VanDerWaalsContact N-OD1 3.1Å; L81-N371 VanDerWaalsContact O-CB 3.28Å; L81-N371 WeakPolarHBondContact O-CB 3.49Å
82	Y	92.9	Very high	96.2	Very high	109 Å²	109	44.5 Å²	44.5	43%	0.427	24%	0.244	S	C	.	.			trans	-96	-46.2	-173.4	-158.9	-95.1	0	0	0	113.1	V59 L80 K111 T112	V59-Y82 PolarHBondContact O-N 3.39Å; L80-Y82 PolarHBondContact O-N 2.79Å; Y82-K111 HydrophobicContact CD2-CB 4.48Å; Y82-K111 HydrophobicContact CD2-CD 3.95Å; Y82-K111 HydrophobicContact CE2-CD 3.71Å; Y82-K111 WeakPolarHBondContact O-CB 3.44Å; Y82-K111 PolarHBondContact O-N 3.09Å; Y82-T112 PolarHBondContact O-N 3.23Å; Y82-T112 PolarHBondContact O-OG1 3.24Å
83	G	91.4	Very high	96.1	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	26%	0.26	C	S	.	.			trans	76.9	-157.4	-175.6	0	0	0	0	0	114	M110 T112	G83-M110 WeakPolarHBondContact CA-SD 3.42Å; G83-T112 VanDerWaalsContact C-OG1 3.25Å
84	G	94.6	Very high	96	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.8	-165.3	-176	0	0	0	0	0	113.8	V86 T112 P113 K115	G84-V86 PolarHBondContact O-N 3.01Å; G84-T112 PolarHBondContact N-OG1 3.37Å; G84-P113 WeakPolarHBondContact CA-O 3.24Å; G84-P113 PolarHBondContact N-O 3.35Å; G84-P113 VanDerWaalsContact N-O 3.14Å; G84-K115 PolarHBondContact O-N 3.44Å
85	P	97.2	Very high	95.8	Very high	119 Å²	119	49.7 Å²	49.7	77%	0.773	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.9	175.4	29.7	-32.4	0	0	0	110.4	K115	P85-K115 CarbonylContact C-O 3.58Å; P85-K115 WeakPolarHBondContact CA-O 3.23Å
86	V	97.8	Very high	95.8	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.079	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	-179.4	175.4	0	0	0	0	109.4	L55 K58 V59 G84 L114 K115 A116 T117	L55-V86 HydrophobicContact CD1-CG1 4.26Å; K58-V86 HydrophobicContact CB-CG1 4.2Å; K58-V86 HydrophobicContact CD-CG1 4.42Å; V59-V86 HydrophobicContact CG1-CG1 4.35Å; V59-V86 HydrophobicContact CG1-CG2 4.18Å; G84-V86 PolarHBondContact O-N 3.01Å; V86-L114 HydrophobicContact CB-CD1 4.38Å; V86-L114 HydrophobicContact CG2-CD1 3.98Å; V86-K115 PolarHBondContact N-O 2.99Å; V86-A116 CarbonylContact O-C 3.4Å; V86-A116 VanDerWaalsContact O-CA 3.29Å; V86-A116 WeakPolarHBondContact O-CA 3.36Å; V86-T117 PolarHBondContact O-N 3.26Å
87	E	98.3	Very high	95.7	Very high	117 Å²	117	47.1 Å²	47.1	55%	0.547	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.8	169.1	-59.9	-157.4	-177.8	0	0	110.5	K58 T117 K119	K58-E87 PolarHBondContact NZ-O 2.89Å; E87-T117 WeakPolarHBondContact CA-O 3.47Å; E87-K119 IonicContact OE2-NZ 3.93Å; E87-K119 PolarHBondContact OE2-NZ 2.98Å
88	H	98.4	Very high	95.7	Very high	5 Å²	5	44 Å²	44	2%	0.023	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	120.9	179.3	-166.1	88.7	0	0	0	112.2	S51 L55 C90 Y99 T117 L118 K119	S51-H88 PolarHBondContact O-CE1 2.84Å; S51-H88 PolarHBondContact O-NE2 3.26Å; S51-H88 PolarHBondContact OG-NE2 2.91Å; L55-H88 HydrophobicContact CD1-CB 3.9Å; L55-H88 PolarHBondContact N-CE1 2.78Å; H88-C90 PolarHBondContact O-N 3.49Å; H88-Y99 AromaticContact NE2-CE1 3.99Å; H88-T117 PolarHBondContact N-O 2.88Å; H88-L118 HydrophobicContact CB-CD2 3.82Å; H88-L118 WeakPolarHBondContact O-CA 3.49Å; H88-K119 PolarHBondContact O-N 3.32Å
89	D	97.9	Very high	95.9	Very high	110 Å²	110	43 Å²	43	59%	0.588	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	106.3	168.1	-58.6	-62.5	0	0	0	108.9	K119	D89-K119 WeakPolarHBondContact OD1-CD 3.46Å
90	C	97.3	Very high	96	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.054	22%	0.221	C	C	.	.			trans	-73.6	141.2	179.5	-58.1	0	0	0	0	109.6	H88 V96 Y99 K119	H88-C90 PolarHBondContact O-N 3.49Å; C90-V96 HydrophobicContact CB-CG2 4.39Å; C90-Y99 HydrophobicContact CB-CD2 3.76Å; C90-Y99 HydrophobicContact CB-CE2 3.54Å; C90-Y99 HydrophobicContact CB-CG 4.46Å; C90-K119 WeakPolarHBondContact CB-O 3.39Å; C90-K119 PolarHBondContact N-O 3.24Å
91	N	96.6	Very high	96.1	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.193	20%	0.199	C	C	.	.			trans	-69	132.1	177.4	-170.7	-70.8	0	0	0	110.4	D47 F48 Q93 R94 Y99	D47-N91 WeakPolarHBondContact CB-ND2 3.44Å; F48-N91 HydrophobicContact CB-CB 4.06Å; N91-Q93 PolarHBondContact O-N 2.97Å; N91-Q93 VanDerWaalsContact OD1-CB 3.27Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.37Å; N91-Q93 VanDerWaalsContact OD1-CG 3.26Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.29Å; N91-Q93 PolarHBondContact OD1-N 2.62Å; N91-R94 PolarHBondContact O-N 3.41Å; N91-Y99 PolarHBondContact N-OH 3.32Å
92	P	93.7	Very high	96.2	Very high	69 Å²	69	38.1 Å²	38.1	45%	0.448	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14	-178.3	-24.1	34.2	0	0	0	116.1	R94 V121	P92-R94 PolarHBondContact O-N 2.8Å; P92-V121 HydrophobicContact CB-CG2 4.21Å
93	Q	93.6	Very high	96.4	Very high	99 Å²	99	33 Å²	33	46%	0.463	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.8	174.4	-72.1	176	-22.3	0	0	113	F48 N91	F48-Q93 HydrophobicContact CB-CB 4.2Å; F48-Q93 HydrophobicContact CD1-CB 3.88Å; F48-Q93 HydrophobicContact CG-CB 4.45Å; N91-Q93 PolarHBondContact O-N 2.97Å; N91-Q93 VanDerWaalsContact OD1-CB 3.27Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.37Å; N91-Q93 VanDerWaalsContact OD1-CG 3.26Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.29Å; N91-Q93 PolarHBondContact OD1-N 2.62Å
94	R	94.9	Very high	96.7	Very high	69 Å²	69	32.5 Å²	32.5	26%	0.26	18%	0.175	S	C	.	.	S	Bend	trans	-136.2	155.3	174.9	-67.1	-57.3	-117.3	-92.8	4.1	111	F48 N91 P92 Y98 Y99 D127	F48-R94 HydrophobicContact CB-CB 4.26Å; F48-R94 HydrophobicContact CB-CG 3.84Å; F48-R94 HydrophobicContact CD1-CG 4.11Å; F48-R94 HydrophobicContact CD2-CG 3.63Å; F48-R94 HydrophobicContact CE2-CG 4.22Å; F48-R94 HydrophobicContact CG-CG 3.59Å; N91-R94 PolarHBondContact O-N 3.41Å; P92-R94 PolarHBondContact O-N 2.8Å; R94-Y98 HydrophobicContact CB-CD1 4.37Å; R94-Y98 HydrophobicContact CB-CD2 4.32Å; R94-Y98 HydrophobicContact CB-CG 3.97Å; R94-Y98 HydrophobicContact CG-CD2 4.1Å; R94-Y98 HydrophobicContact CG-CE2 4.41Å; R94-Y98 HydrophobicContact CG-CG 4.21Å; R94-Y99 HydrophobicContact CB-CE2 4.48Å; R94-D127 WeakPolarHBondContact CA-OD2 3.2Å; R94-D127 WeakPolarHBondContact CB-OD2 3.34Å; R94-D127 WeakPolarHBondContact CD-OD2 3.32Å; R94-D127 IonicContact CZ-OD1 3.47Å; R94-D127 IonicContact NE-OD1 2.74Å; R94-D127 PolarHBondContact NE-OD1 2.8Å; R94-D127 IonicContact NE-OD2 3.59Å; R94-D127 PolarHBondContact NE-OD2 2.88Å; R94-D127 IonicContact NH2-OD1 2.75Å
95	S	95.1	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-78.6	164.3	177.5	75.1	0	0	0	0	111.9	G97 Y98 Y99 V121 D124 D127	S95-G97 PolarHBondContact O-N 2.96Å; S95-G97 VanDerWaalsContact O-N 3.13Å; S95-G97 PolarHBondContact OG-N 3.07Å; S95-Y98 WeakPolarHBondContact O-CB 3.47Å; S95-Y98 PolarHBondContact O-N 3.33Å; S95-Y99 WeakPolarHBondContact O-CD2 3.46Å; S95-V121 CarbonylContact C-O 3.55Å; S95-V121 WeakPolarHBondContact CA-O 3.4Å; S95-V121 WeakPolarHBondContact CB-O 3.31Å; S95-D124 WeakPolarHBondContact CB-OD1 3.21Å; S95-D124 PolarHBondContact OG-OD1 3.36Å; S95-D127 PolarHBondContact N-OD2 2.86Å; S95-D127 WeakPolarHBondContact OG-CB 3.46Å
96	V	97.3	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-54.3	-29.7	173.5	168.4	0	0	0	0	111	C90 Y98 Y99 L100 L118 V121 V130 V168	C90-V96 HydrophobicContact CB-CG2 4.39Å; V96-Y98 PolarHBondContact O-N 3.42Å; V96-Y99 PolarHBondContact O-N 3.48Å; V96-Y99 VanDerWaalsContact O-N 3.11Å; V96-L100 VanDerWaalsContact O-CB 3.32Å; V96-L100 WeakPolarHBondContact O-CB 3.46Å; V96-L100 PolarHBondContact O-N 2.91Å; V96-L118 HydrophobicContact CG1-CB 3.61Å; V96-L118 HydrophobicContact CG1-CD1 3.66Å; V96-L118 HydrophobicContact CG1-CG 4.29Å; V96-L118 HydrophobicContact CG2-CB 4.31Å; V96-V121 WeakPolarHBondContact CG2-O 3.22Å; V96-V121 PolarHBondContact N-O 3.46Å; V96-V130 HydrophobicContact CB-CG2 4.22Å; V96-V130 HydrophobicContact CG1-CG2 4.11Å; V96-V168 HydrophobicContact CG1-CB 4.06Å; V96-V168 HydrophobicContact CG1-CG2 4.03Å
97	G	96.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54.4	-39.1	173.8	0	0	0	0	0	113.6	S95 Y99 L100 E101 P128	S95-G97 PolarHBondContact O-N 2.96Å; S95-G97 VanDerWaalsContact O-N 3.13Å; S95-G97 PolarHBondContact OG-N 3.07Å; G97-Y99 VanDerWaalsContact C-N 3.26Å; G97-Y99 PolarHBondContact O-N 3.35Å; G97-L100 PolarHBondContact O-N 2.92Å; G97-E101 WeakPolarHBondContact O-CB 3.37Å; G97-E101 PolarHBondContact O-N 3.26Å; G97-P128 VanDerWaalsContact CA-O 3.27Å; G97-P128 WeakPolarHBondContact CA-O 3.38Å
98	Y	96.8	Very high	96.8	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-56.3	-40.3	176.9	179.9	-91.7	0	0	0	112.5	R18 F48 F52 R94 S95 V96	R18-Y98 VanDerWaalsContact CD-CE1 3.5Å; R18-Y98 VanDerWaalsContact CD-O 3.32Å; R18-Y98 WeakPolarHBondContact CD-O 3.44Å; R18-Y98 HydrophobicContact CG-CE1 3.84Å; R18-Y98 HydrophobicContact CG-CE2 3.86Å; R18-Y98 VanDerWaalsContact CG-CZ 3.41Å; R18-Y98 VanDerWaalsContact CG-OH 3.31Å; R18-Y98 WeakPolarHBondContact CG-OH 3.33Å; R18-Y98 VanDerWaalsContact NE-CD2 3.31Å; R18-Y98 VanDerWaalsContact NH1-CA 3.32Å; R18-Y98 PolarHBondContact NH1-O 3.01Å; F48-Y98 HydrophobicContact CD2-CE1 4.1Å; F48-Y98 HydrophobicContact CD2-CE2 4.25Å; F48-Y98 AromaticContact CD2-CZ 3.75Å; F48-Y98 HydrophobicContact CE2-CE2 4.27Å; F52-Y98 HydrophobicContact CB-CE1 4Å; F52-Y98 HydrophobicContact CD2-CE1 4.15Å; F52-Y98 HydrophobicContact CG-CE1 4.12Å; R94-Y98 HydrophobicContact CB-CD1 4.37Å; R94-Y98 HydrophobicContact CB-CD2 4.32Å; R94-Y98 HydrophobicContact CB-CG 3.97Å; R94-Y98 HydrophobicContact CG-CD2 4.1Å; R94-Y98 HydrophobicContact CG-CE2 4.41Å; R94-Y98 HydrophobicContact CG-CG 4.21Å; S95-Y98 WeakPolarHBondContact O-CB 3.47Å; S95-Y98 PolarHBondContact O-N 3.33Å; V96-Y98 PolarHBondContact O-N 3.42Å
99	Y	98	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-84.6	-39.5	-179	-60.7	-92.7	0	0	0	111.5	F48 S51 F52 L55 H88 C90 N91 R94 S95 V96 G97 E101 A102 L103	F48-Y99 PolarHBondContact O-OH 3.46Å; S51-Y99 WeakPolarHBondContact CB-OH 3.47Å; S51-Y99 VanDerWaalsContact OG-CE1 3.25Å; S51-Y99 WeakPolarHBondContact OG-CE1 3.5Å; S51-Y99 PolarHBondContact OG-OH 3.48Å; F52-Y99 HydrophobicContact CB-CD1 4.38Å; F52-Y99 HydrophobicContact CB-CE1 4Å; F52-Y99 HydrophobicContact CD2-CD1 4.02Å; F52-Y99 HydrophobicContact CD2-CE1 4.47Å; L55-Y99 HydrophobicContact CD2-CD1 3.82Å; L55-Y99 HydrophobicContact CD2-CG 4.28Å; H88-Y99 AromaticContact NE2-CE1 3.99Å; C90-Y99 HydrophobicContact CB-CD2 3.76Å; C90-Y99 HydrophobicContact CB-CE2 3.54Å; C90-Y99 HydrophobicContact CB-CG 4.46Å; N91-Y99 PolarHBondContact N-OH 3.32Å; R94-Y99 HydrophobicContact CB-CE2 4.48Å; S95-Y99 WeakPolarHBondContact O-CD2 3.46Å; V96-Y99 PolarHBondContact O-N 3.48Å; V96-Y99 VanDerWaalsContact O-N 3.11Å; G97-Y99 VanDerWaalsContact C-N 3.26Å; G97-Y99 PolarHBondContact O-N 3.35Å; Y99-E101 PolarHBondContact O-N 3.49Å; Y99-A102 PolarHBondContact O-N 3.06Å; Y99-L103 PolarHBondContact O-N 2.72Å
100	L	97.6	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.5	-38.8	-178.9	-178.3	58.5	0	0	0	112	V96 G97 A102 L103 L104 L118 V130 L133 I153 F170	V96-L100 VanDerWaalsContact O-CB 3.32Å; V96-L100 WeakPolarHBondContact O-CB 3.46Å; V96-L100 PolarHBondContact O-N 2.91Å; G97-L100 PolarHBondContact O-N 2.92Å; L100-A102 VanDerWaalsContact C-N 3.27Å; L100-A102 PolarHBondContact O-N 3.06Å; L100-L103 PolarHBondContact O-N 3.23Å; L100-L103 VanDerWaalsContact O-N 3.09Å; L100-L104 HydrophobicContact CD1-CG 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.19Å; L100-L104 HydrophobicContact CG-CG 4.39Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.76Å; L100-L118 HydrophobicContact CB-CD1 4.11Å; L100-L118 HydrophobicContact CD1-CD1 4.46Å; L100-V130 HydrophobicContact CD2-CG1 4.32Å; L100-L133 HydrophobicContact CB-CD1 4.09Å; L100-L133 HydrophobicContact CD2-CB 4.34Å; L100-L133 HydrophobicContact CD2-CD1 3.81Å; L100-L133 HydrophobicContact CG-CD1 3.95Å; L100-I153 HydrophobicContact CD1-CD1 4.46Å; L100-I153 HydrophobicContact CD2-CD1 3.8Å; L100-I153 HydrophobicContact CD2-CG1 4.34Å; L100-I153 HydrophobicContact CD2-CG2 4.28Å; L100-I153 HydrophobicContact CG-CD1 4.44Å; L100-F170 HydrophobicContact CD1-CB 3.68Å; L100-F170 HydrophobicContact CD1-CD1 3.76Å; L100-F170 HydrophobicContact CD1-CD2 4.23Å; L100-F170 HydrophobicContact CD1-CE1 4.43Å; L100-F170 HydrophobicContact CD1-CG 3.63Å
101	E	96.3	Very high	96.5	Very high	16 Å²	16	18.4 Å²	18.4	8%	0.075	9%	0.089	C	C	.	.	H	α-helix	trans	-53.4	-44.9	175.2	-172.4	-169.8	152.4	0	0	111.4	R18 G97 Y99 L104 M105 Y324	R18-E101 IonicContact CZ-OE2 2.78Å; R18-E101 IonicContact NH1-OE2 3.44Å; R18-E101 PolarHBondContact NH1-OE2 2.82Å; R18-E101 IonicContact NH2-OE1 2.7Å; R18-E101 IonicContact NH2-OE2 3.89Å; R18-E101 PolarHBondContact NH2-OE2 2.85Å; G97-E101 WeakPolarHBondContact O-CB 3.37Å; G97-E101 PolarHBondContact O-N 3.26Å; Y99-E101 PolarHBondContact O-N 3.49Å; E101-L104 PolarHBondContact O-N 3.46Å; E101-M105 HydrophobicContact CG-CE 4.1Å; E101-M105 WeakPolarHBondContact O-CG 3.21Å; E101-M105 PolarHBondContact O-N 3.44Å; E101-Y324 WeakPolarHBondContact OE1-CE1 3.28Å; E101-Y324 PolarHBondContact OE1-OH 3.5Å
102	A	97.3	Very high	96.4	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-68.5	-39.6	177.5	0	0	0	0	0	112.4	V22 F52 Y99 L100 L104 M105 L106	V22-A102 HydrophobicContact CG2-CB 3.66Å; F52-A102 HydrophobicContact CE2-CB 3.41Å; F52-A102 VanDerWaalsContact CE2-CB 3.41Å; F52-A102 HydrophobicContact CZ-CB 3.66Å; Y99-A102 PolarHBondContact O-N 3.06Å; L100-A102 VanDerWaalsContact C-N 3.27Å; L100-A102 PolarHBondContact O-N 3.06Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 3.1Å; A102-M105 WeakPolarHBondContact O-CB 3.48Å; A102-M105 PolarHBondContact O-N 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.4Å; A102-L106 PolarHBondContact O-N 3.17Å; A102-L106 VanDerWaalsContact O-N 3.09Å
103	L	98.1	Very high	96.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-35.7	176.6	-66.2	-178.1	0	0	0	112	L55 V59 Y99 L100 M105 L106 A107 L114 A116 L118 F170	L55-L103 HydrophobicContact CD1-CD2 4.44Å; L55-L103 HydrophobicContact CD2-CD1 4.25Å; L55-L103 HydrophobicContact CD2-CD2 4.23Å; L55-L103 HydrophobicContact CD2-CG 4.17Å; L55-L103 HydrophobicContact CG-CD2 4.38Å; V59-L103 HydrophobicContact CG1-CD2 4Å; Y99-L103 PolarHBondContact O-N 2.72Å; L100-L103 PolarHBondContact O-N 3.23Å; L100-L103 VanDerWaalsContact O-N 3.09Å; L103-M105 PolarHBondContact O-N 2.89Å; L103-L106 PolarHBondContact O-N 3.42Å; L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.31Å; L103-L114 HydrophobicContact CB-CD2 4.33Å; L103-L114 HydrophobicContact CD1-CD2 4.34Å; L103-L114 HydrophobicContact CD2-CD2 4.25Å; L103-A116 HydrophobicContact CD1-CB 3.81Å; L103-L118 HydrophobicContact CD1-CD1 4.1Å; L103-L118 HydrophobicContact CD1-CD2 4.19Å; L103-F170 HydrophobicContact CB-CD1 4.1Å; L103-F170 HydrophobicContact CB-CE1 4.03Å
104	L	97.9	Very high	96.7	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-36.8	174.6	-73	163.7	0	0	0	111.7	L100 E101 A102 P108 L133 A137 L138 M141 I153 F170	L100-L104 HydrophobicContact CD1-CG 4.38Å; L100-L104 HydrophobicContact CG-CD1 4.19Å; L100-L104 HydrophobicContact CG-CG 4.39Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 2.76Å; E101-L104 PolarHBondContact O-N 3.46Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 3.1Å; L104-P108 WeakPolarHBondContact O-CD 3.43Å; L104-L133 HydrophobicContact CD1-CB 4.16Å; L104-L133 HydrophobicContact CD1-CD1 4.18Å; L104-L133 HydrophobicContact CD1-CD2 4.09Å; L104-L133 HydrophobicContact CD1-CG 4.38Å; L104-A137 HydrophobicContact CD1-CB 3.9Å; L104-L138 HydrophobicContact CD2-CD2 3.98Å; L104-M141 HydrophobicContact CB-SD 4.11Å; L104-M141 HydrophobicContact CD2-CE 4.44Å; L104-M141 HydrophobicContact CD2-SD 3.56Å; L104-M141 VanDerWaalsContact CD2-SD 3.56Å; L104-M141 HydrophobicContact CG-SD 4.44Å; L104-M141 WeakPolarHBondContact O-CE 3.42Å; L104-I153 HydrophobicContact CD2-CD1 4.29Å; L104-F170 HydrophobicContact CD2-CE1 4.41Å; L104-F170 HydrophobicContact CD2-CE2 3.72Å; L104-F170 HydrophobicContact CD2-CZ 3.62Å; L104-F170 HydrophobicContact CG-CZ 4.32Å
105	M	97.8	Very high	96.9	Very high	5 Å²	5	17 Å²	17	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-73.3	-35.9	176.8	-66.4	-177.8	-173.2	0	0	113.2	V22 E101 A102 L103 F109 L301 L304	V22-M105 HydrophobicContact CG1-CB 3.77Å; V22-M105 HydrophobicContact CG1-CG 4.46Å; V22-M105 HydrophobicContact CG1-SD 3.88Å; E101-M105 HydrophobicContact CG-CE 4.1Å; E101-M105 WeakPolarHBondContact O-CG 3.21Å; E101-M105 PolarHBondContact O-N 3.44Å; A102-M105 WeakPolarHBondContact O-CB 3.48Å; A102-M105 PolarHBondContact O-N 3.32Å; L103-M105 PolarHBondContact O-N 2.89Å; M105-F109 WeakPolarHBondContact O-CD2 3.38Å; M105-F109 WeakPolarHBondContact O-CE2 3.34Å; M105-L301 HydrophobicContact CG-CD1 3.84Å; M105-L304 HydrophobicContact CB-CD2 3.51Å; M105-L304 HydrophobicContact CG-CD2 3.54Å; M105-L304 HydrophobicContact SD-CD2 3.78Å
106	L	97.8	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-92.3	-38.5	-172.7	-66.2	175.8	0	0	0	114.1	V22 T25 L26 L56 L81 A102 L103 F109 M110	V22-L106 HydrophobicContact CG1-CD2 3.99Å; V22-L106 HydrophobicContact CG1-CG 4.23Å; V22-L106 HydrophobicContact CG2-CD1 4.42Å; T25-L106 HydrophobicContact CG2-CD2 3.98Å; L26-L106 HydrophobicContact CD1-CD2 4.02Å; L26-L106 HydrophobicContact CD2-CD2 3.86Å; L26-L106 HydrophobicContact CG-CD2 3.65Å; L56-L106 HydrophobicContact CD2-CD1 3.61Å; L81-L106 HydrophobicContact CD1-CB 4.49Å; L81-L106 HydrophobicContact CD1-CD2 4.17Å; L81-L106 HydrophobicContact CD2-CB 4.32Å; L81-L106 HydrophobicContact CD2-CD1 4.47Å; L81-L106 HydrophobicContact CD2-CD2 4.37Å; A102-L106 WeakPolarHBondContact O-CG 3.4Å; A102-L106 PolarHBondContact O-N 3.17Å; A102-L106 VanDerWaalsContact O-N 3.09Å; L103-L106 PolarHBondContact O-N 3.42Å; L106-F109 PolarHBondContact O-N 3.45Å; L106-M110 HydrophobicContact CB-CE 4.23Å
107	A	97.3	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-58.4	-36	-167.9	0	0	0	0	0	115.8	L103 F109 M110 L114 F170 C172	L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.31Å; A107-F109 PolarHBondContact O-N 2.88Å; A107-F109 VanDerWaalsContact O-N 3.1Å; A107-M110 HydrophobicContact CB-CE 4.32Å; A107-M110 HydrophobicContact CB-SD 4.31Å; A107-M110 PolarHBondContact O-N 2.82Å; A107-L114 HydrophobicContact CB-CB 4.13Å; A107-L114 HydrophobicContact CB-CD2 3.61Å; A107-F170 HydrophobicContact CB-CE1 3.78Å; A107-F170 HydrophobicContact CB-CZ 4.2Å; A107-C172 HydrophobicContact CB-CB 3.6Å
108	P	96.4	Very high	97.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.9	176.1	-24.7	35.3	0	0	0	113.5	L104 M141 I146 R175	L104-P108 WeakPolarHBondContact O-CD 3.43Å; P108-M141 HydrophobicContact CG-CE 3.53Å; P108-I146 HydrophobicContact CB-CD1 3.89Å; P108-I146 HydrophobicContact CB-CG1 4.2Å; P108-I146 HydrophobicContact CB-CG2 4.47Å; P108-I146 HydrophobicContact CG-CD1 3.6Å; P108-I146 HydrophobicContact CG-CG1 4.3Å; P108-I146 HydrophobicContact CG-CG2 4.26Å; P108-R175 PolarHBondContact O-N 2.94Å
109	F	96.4	Very high	97.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-106.3	15.5	-172.3	-49.4	-72.5	0	0	0	113.9	L26 L81 M105 L106 A107 I178 L308 Y367 N369 N371	L26-F109 HydrophobicContact CD2-CB 4.36Å; L26-F109 HydrophobicContact CD2-CD2 3.57Å; L26-F109 HydrophobicContact CD2-CE2 4.11Å; L26-F109 HydrophobicContact CD2-CG 4.21Å; L81-F109 HydrophobicContact CD1-CB 4.22Å; M105-F109 WeakPolarHBondContact O-CD2 3.38Å; M105-F109 WeakPolarHBondContact O-CE2 3.34Å; L106-F109 PolarHBondContact O-N 3.45Å; A107-F109 PolarHBondContact O-N 2.88Å; A107-F109 VanDerWaalsContact O-N 3.1Å; F109-I178 HydrophobicContact CE1-CD1 3.65Å; F109-I178 HydrophobicContact CE1-CG1 3.87Å; F109-I178 HydrophobicContact CE2-CD1 4.21Å; F109-I178 HydrophobicContact CZ-CD1 3.25Å; F109-I178 HydrophobicContact CZ-CG1 4Å; F109-L308 HydrophobicContact CD2-CD1 4.37Å; F109-L308 HydrophobicContact CE1-CB 4.43Å; F109-L308 HydrophobicContact CE1-CD1 4.45Å; F109-L308 HydrophobicContact CE2-CD1 3.47Å; F109-L308 VanDerWaalsContact CE2-CD1 3.47Å; F109-L308 HydrophobicContact CZ-CB 3.84Å; F109-L308 HydrophobicContact CZ-CD1 3.48Å; F109-L308 VanDerWaalsContact CZ-CD1 3.48Å; F109-L308 HydrophobicContact CZ-CG 4.32Å; F109-Y367 HydrophobicContact CB-CE1 4.14Å; F109-Y367 AromaticContact CD1-CD1 3.69Å; F109-Y367 HydrophobicContact CD1-CD1 3.69Å; F109-Y367 AromaticContact CD1-CE1 3.46Å; F109-Y367 HydrophobicContact CD1-CE1 3.46Å; F109-Y367 VanDerWaalsContact CD1-CE1 3.46Å; F109-Y367 AromaticContact CE1-CD1 3.63Å; F109-Y367 HydrophobicContact CE1-CD1 3.63Å; F109-Y367 AromaticContact CE1-CE1 3.86Å; F109-Y367 HydrophobicContact CE1-CE1 3.86Å; F109-Y367 HydrophobicContact CG-CD1 4.44Å; F109-Y367 AromaticContact CG-CE1 3.82Å; F109-Y367 HydrophobicContact CG-CE1 3.82Å; F109-Y367 HydrophobicContact CZ-CD1 4.36Å; F109-N369 WeakPolarHBondContact CA-ND2 3.33Å; F109-N369 HydrophobicContact CD1-CB 4.5Å; F109-N369 VanDerWaalsContact O-CG 3.31Å; F109-N369 PolarHBondContact O-ND2 2.93Å; F109-N369 PolarHBondContact O-OD1 3.49Å; F109-N371 PolarHBondContact O-ND2 2.66Å
110	M	95.9	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-77.3	164.8	175.7	-67.3	179.7	176.9	0	0	112.1	V59 L81 G83 L106 A107 T112 L114 V174 N369	V59-M110 HydrophobicContact CB-CE 3.82Å; V59-M110 HydrophobicContact CG1-CE 4.15Å; V59-M110 HydrophobicContact CG2-CE 4.26Å; L81-M110 HydrophobicContact CB-CB 4.45Å; L81-M110 HydrophobicContact CB-CG 3.99Å; L81-M110 HydrophobicContact CD2-CE 4.37Å; L81-M110 CarbonylContact O-C 3.55Å; G83-M110 WeakPolarHBondContact CA-SD 3.42Å; L106-M110 HydrophobicContact CB-CE 4.23Å; A107-M110 HydrophobicContact CB-CE 4.32Å; A107-M110 HydrophobicContact CB-SD 4.31Å; A107-M110 PolarHBondContact O-N 2.82Å; M110-T112 WeakPolarHBondContact CB-O 3.01Å; M110-L114 HydrophobicContact CE-CD1 4.23Å; M110-L114 HydrophobicContact CE-CD2 3.96Å; M110-L114 HydrophobicContact SD-CB 3.73Å; M110-L114 HydrophobicContact SD-CD1 3.82Å; M110-L114 HydrophobicContact SD-CD2 4.04Å; M110-L114 HydrophobicContact SD-CG 4.07Å; M110-V174 HydrophobicContact CB-CG2 4.46Å; M110-V174 WeakPolarHBondContact O-CG1 3.21Å; M110-V174 VanDerWaalsContact O-CG2 3.32Å; M110-V174 WeakPolarHBondContact O-CG2 3.25Å; M110-N369 PolarHBondContact O-ND2 2.8Å
111	K	95.4	Very high	97.1	Very high	80 Å²	80	20.9 Å²	20.9	35%	0.348	11%	0.108	S	C	.	.	S	Bend	trans	-70	-44.8	173.4	177.7	166.4	178.4	-176.8	0	112.2	L81 Y82 N371	L81-K111 PolarHBondContact O-N 3.36Å; Y82-K111 HydrophobicContact CD2-CB 4.48Å; Y82-K111 HydrophobicContact CD2-CD 3.95Å; Y82-K111 HydrophobicContact CE2-CD 3.71Å; Y82-K111 WeakPolarHBondContact O-CB 3.44Å; Y82-K111 PolarHBondContact O-N 3.09Å; K111-N371 HydrophobicContact CB-CB 3.98Å; K111-N371 VanDerWaalsContact CB-O 3.26Å; K111-N371 WeakPolarHBondContact CB-O 3.4Å; K111-N371 WeakPolarHBondContact CG-O 3.32Å
112	T	95.1	Very high	97	Very high	43 Å²	43	20.1 Å²	20.1	26%	0.264	10%	0.104	S	C	.	.	S	Bend	trans	-117.6	153.3	177.5	64.9	0	0	0	0	110.7	Y82 G83 G84 M110 L114 V174	Y82-T112 PolarHBondContact O-N 3.23Å; Y82-T112 PolarHBondContact O-OG1 3.24Å; G83-T112 VanDerWaalsContact C-OG1 3.25Å; G84-T112 PolarHBondContact N-OG1 3.37Å; M110-T112 WeakPolarHBondContact CB-O 3.01Å; T112-L114 PolarHBondContact O-N 3.39Å; T112-V174 WeakPolarHBondContact O-CG2 3.35Å
113	P	95.8	Very high	96.6	Very high	81 Å²	81	20.1 Å²	20.1	53%	0.526	10%	0.104	S	C	.	.			trans	-53.7	136.3	175	-26.9	35.9	0	0	0	111.6	G84 C172 V174	G84-P113 WeakPolarHBondContact CA-O 3.24Å; G84-P113 PolarHBondContact N-O 3.35Å; G84-P113 VanDerWaalsContact N-O 3.14Å; P113-C172 WeakPolarHBondContact CA-O 3.35Å; P113-V174 HydrophobicContact CG-CG2 4.34Å
114	L	97.5	Very high	96	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.9	179.2	-176.4	66.8	0	0	0	109.7	V59 V86 L103 A107 M110 T112 A116 F170 T171 C172	V59-L114 HydrophobicContact CG1-CD1 4.45Å; V86-L114 HydrophobicContact CB-CD1 4.38Å; V86-L114 HydrophobicContact CG2-CD1 3.98Å; L103-L114 HydrophobicContact CB-CD2 4.33Å; L103-L114 HydrophobicContact CD1-CD2 4.34Å; L103-L114 HydrophobicContact CD2-CD2 4.25Å; A107-L114 HydrophobicContact CB-CB 4.13Å; A107-L114 HydrophobicContact CB-CD2 3.61Å; M110-L114 HydrophobicContact CE-CD1 4.23Å; M110-L114 HydrophobicContact CE-CD2 3.96Å; M110-L114 HydrophobicContact SD-CB 3.73Å; M110-L114 HydrophobicContact SD-CD1 3.82Å; M110-L114 HydrophobicContact SD-CD2 4.04Å; M110-L114 HydrophobicContact SD-CG 4.07Å; T112-L114 PolarHBondContact O-N 3.39Å; L114-A116 HydrophobicContact CD1-CB 4.28Å; L114-A116 HydrophobicContact CD2-CB 4.12Å; L114-A116 HydrophobicContact CG-CB 4.09Å; L114-F170 HydrophobicContact CD2-CD1 3.98Å; L114-F170 HydrophobicContact CD2-CE1 4Å; L114-T171 CarbonylContact O-C 3.58Å; L114-T171 VanDerWaalsContact O-CA 3.27Å; L114-T171 WeakPolarHBondContact O-CA 3.36Å; L114-C172 HydrophobicContact CB-CB 4.46Å; L114-C172 PolarHBondContact N-O 3.49Å; L114-C172 PolarHBondContact O-N 3.42Å
115	K	98.1	Very high	95.3	Very high	118 Å²	118	24.8 Å²	24.8	51%	0.513	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	93.8	161.4	-177.6	177.5	178.3	179.9	0	108.2	G84 P85 V86 V169 F170	G84-K115 PolarHBondContact O-N 3.44Å; P85-K115 CarbonylContact C-O 3.58Å; P85-K115 WeakPolarHBondContact CA-O 3.23Å; V86-K115 PolarHBondContact N-O 2.99Å; K115-V169 HydrophobicContact CG-CG1 4.29Å; K115-F170 CarbonylContact C-O 3.58Å; K115-F170 WeakPolarHBondContact CA-O 3.46Å
116	A	98.4	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	-178	0	0	0	0	0	111	V86 L103 L114 V169 F170	V86-A116 CarbonylContact O-C 3.4Å; V86-A116 VanDerWaalsContact O-CA 3.29Å; V86-A116 WeakPolarHBondContact O-CA 3.36Å; L103-A116 HydrophobicContact CD1-CB 3.81Å; L114-A116 HydrophobicContact CD1-CB 4.28Å; L114-A116 HydrophobicContact CD2-CB 4.12Å; L114-A116 HydrophobicContact CG-CB 4.09Å; A116-V169 CarbonylContact O-C 3.58Å; A116-V169 VanDerWaalsContact O-CA 3.31Å; A116-V169 WeakPolarHBondContact O-CA 3.45Å; A116-F170 PolarHBondContact N-O 3.3Å; A116-F170 PolarHBondContact O-N 3.49Å
117	T	98.6	Very high	94.5	Very high	18 Å²	18	29.9 Å²	29.9	11%	0.11	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.9	168.8	-54.9	0	0	0	0	108.5	V86 E87 H88 K119 E167 V168 V169	V86-T117 PolarHBondContact O-N 3.26Å; E87-T117 WeakPolarHBondContact CA-O 3.47Å; H88-T117 PolarHBondContact N-O 2.88Å; T117-K119 HydrophobicContact CG2-CG 4.43Å; T117-E167 HydrophobicContact CG2-CG 3.94Å; T117-V168 CarbonylContact C-O 3.59Å; T117-V168 WeakPolarHBondContact CA-O 3.48Å; T117-V169 HydrophobicContact CG2-CG2 4.38Å
118	L	98.4	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.9	179.7	-56.6	-178.4	0	0	0	109.6	H88 V96 L100 L103 E167 V168	H88-L118 HydrophobicContact CB-CD2 3.82Å; H88-L118 WeakPolarHBondContact O-CA 3.49Å; V96-L118 HydrophobicContact CG1-CB 3.61Å; V96-L118 HydrophobicContact CG1-CD1 3.66Å; V96-L118 HydrophobicContact CG1-CG 4.29Å; V96-L118 HydrophobicContact CG2-CB 4.31Å; L100-L118 HydrophobicContact CB-CD1 4.11Å; L100-L118 HydrophobicContact CD1-CD1 4.46Å; L103-L118 HydrophobicContact CD1-CD1 4.1Å; L103-L118 HydrophobicContact CD1-CD2 4.19Å; L118-E167 CarbonylContact O-C 3.56Å; L118-E167 WeakPolarHBondContact O-CA 3.43Å; L118-V168 PolarHBondContact N-O 2.94Å; L118-V168 PolarHBondContact O-N 3.43Å
119	K	98.1	Very high	94	Very high	61 Å²	61	31 Å²	31	27%	0.265	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	133	-178.8	-61.5	172.2	-167	161.4	0	109.6	E87 H88 D89 C90 T117 G166 E167	E87-K119 IonicContact OE2-NZ 3.93Å; E87-K119 PolarHBondContact OE2-NZ 2.98Å; H88-K119 PolarHBondContact O-N 3.32Å; D89-K119 WeakPolarHBondContact OD1-CD 3.46Å; C90-K119 WeakPolarHBondContact CB-O 3.39Å; C90-K119 PolarHBondContact N-O 3.24Å; T117-K119 HydrophobicContact CG2-CG 4.43Å; K119-G166 CarbonylContact C-O 3.57Å; K119-G166 VanDerWaalsContact CA-O 3.25Å; K119-G166 WeakPolarHBondContact CA-O 3.48Å; K119-E167 HydrophobicContact CG-CG 4.2Å
120	G	96.6	Very high	93.9	Very high	9 Å²	9	31.1 Å²	31.1	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-151.8	-177.2	0	0	0	0	0	114.5	G165 G166	G120-G165 PolarHBondContact O-N 3.42Å; G120-G166 PolarHBondContact N-O 2.69Å; G120-G166 WeakPolarHBondContact O-CA 3.23Å; G120-G166 PolarHBondContact O-N 3.43Å
121	V	96	Very high	93.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-78.1	123.9	170.7	174.3	0	0	0	0	108.4	P92 S95 V96 N123 D124 G159 A161	P92-V121 HydrophobicContact CB-CG2 4.21Å; S95-V121 CarbonylContact C-O 3.55Å; S95-V121 WeakPolarHBondContact CA-O 3.4Å; S95-V121 WeakPolarHBondContact CB-O 3.31Å; V96-V121 WeakPolarHBondContact CG2-O 3.22Å; V96-V121 PolarHBondContact N-O 3.46Å; V121-N123 VanDerWaalsContact CG1-O 3.27Å; V121-N123 WeakPolarHBondContact CG1-O 3.07Å; V121-D124 HydrophobicContact CG1-CB 4.35Å; V121-G159 CarbonylContact C-O 3.56Å; V121-G159 VanDerWaalsContact CA-O 3.28Å; V121-G159 WeakPolarHBondContact CA-O 3.44Å; V121-A161 HydrophobicContact CG1-CB 4.13Å; V121-A161 HydrophobicContact CG2-CB 4.19Å
122	T	94.6	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.			trans	-88	-29.4	-176.3	55	0	0	0	0	113.4	V130 G159 M160 V168	T122-V130 WeakPolarHBondContact O-CG2 3.19Å; T122-G159 PolarHBondContact N-O 2.57Å; T122-G159 PolarHBondContact OG1-N 3.15Å; T122-G159 VanDerWaalsContact OG1-N 3.11Å; T122-G159 PolarHBondContact OG1-O 3.11Å; T122-M160 VanDerWaalsContact OG1-CE 3.28Å; T122-M160 WeakPolarHBondContact OG1-CE 3.38Å; T122-V168 HydrophobicContact CG2-CG2 3.95Å
123	N	89	Confident	93.8	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-139.8	132.6	-177.6	-54.7	73.1	0	0	0	108.1	V121 T129 R158 M160 Y197	V121-N123 VanDerWaalsContact CG1-O 3.27Å; V121-N123 WeakPolarHBondContact CG1-O 3.07Å; N123-T129 HydrophobicContact CB-CG2 3.92Å; N123-T129 VanDerWaalsContact ND2-CB 3.27Å; N123-T129 WeakPolarHBondContact ND2-CB 3.35Å; N123-T129 VanDerWaalsContact ND2-CG2 3.29Å; N123-T129 WeakPolarHBondContact ND2-CG2 3.29Å; N123-R158 PolarHBondContact OD1-NH1 2.98Å; N123-M160 HydrophobicContact CB-CE 3.7Å; N123-M160 HydrophobicContact CB-SD 4.21Å; N123-M160 WeakPolarHBondContact OD1-CE 3.37Å; N123-Y197 HydrophobicContact CB-CE2 4.32Å; N123-Y197 VanDerWaalsContact CB-OH 3.23Å; N123-Y197 WeakPolarHBondContact CB-OH 3.38Å; N123-Y197 VanDerWaalsContact ND2-CE1 3.32Å; N123-Y197 WeakPolarHBondContact ND2-CE1 3.33Å; N123-Y197 PolarHBondContact ND2-OH 2.8Å
124	D	84.6	Confident	93.8	Very high	16 Å²	16	26.9 Å²	26.9	9%	0.086	14%	0.143	C	C	.	.			trans	-140.2	173.3	170.6	81.1	-59.2	0	0	0	108.9	S95 V121 T126 D127 S261	S95-D124 WeakPolarHBondContact CB-OD1 3.21Å; S95-D124 PolarHBondContact OG-OD1 3.36Å; V121-D124 HydrophobicContact CG1-CB 4.35Å; D124-T126 VanDerWaalsContact C-N 3.32Å; D124-T126 WeakPolarHBondContact OD2-CA 3.31Å; D124-T126 WeakPolarHBondContact OD2-CB 3.31Å; D124-T126 PolarHBondContact OD2-N 2.86Å; D124-T126 PolarHBondContact OD2-OG1 2.96Å; D124-T126 VanDerWaalsContact OD2-OG1 3.07Å; D124-D127 WeakPolarHBondContact OD1-CB 3.46Å; D124-D127 PolarHBondContact OD1-N 2.91Å; D124-D127 VanDerWaalsContact OD1-N 3.1Å; D124-D127 PolarHBondContact OD2-N 2.93Å; D124-S261 PolarHBondContact O-OG 3.04Å
125	P	83.9	Confident	93.7	Very high	84 Å²	84	28.3 Å²	28.3	55%	0.545	15%	0.153	S	C	.	.	S	Bend	trans	-77.7	-11.3	177	-19.4	34.3	0	0	0	114.9
126	T	87.2	Confident	93.7	Very high	105 Å²	105	22.9 Å²	22.9	64%	0.644	13%	0.13	S	C	*	.	S	Bend	trans	-102.5	-46.5	-167.9	-38.6	0	0	0	0	113	D124	D124-T126 VanDerWaalsContact C-N 3.32Å; D124-T126 WeakPolarHBondContact OD2-CA 3.31Å; D124-T126 WeakPolarHBondContact OD2-CB 3.31Å; D124-T126 PolarHBondContact OD2-N 2.86Å; D124-T126 PolarHBondContact OD2-OG1 2.96Å; D124-T126 VanDerWaalsContact OD2-OG1 3.07Å
127	D	91.5	Very high	93.6	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	13%	0.13	C	C	.	.	S	Bend	trans	-100.2	154.8	-175.3	-52.4	-59	0	0	0	110.9	R94 S95 D124 T129	R94-D127 WeakPolarHBondContact CA-OD2 3.2Å; R94-D127 WeakPolarHBondContact CB-OD2 3.34Å; R94-D127 WeakPolarHBondContact CD-OD2 3.32Å; R94-D127 IonicContact CZ-OD1 3.47Å; R94-D127 IonicContact NE-OD1 2.74Å; R94-D127 PolarHBondContact NE-OD1 2.8Å; R94-D127 IonicContact NE-OD2 3.59Å; R94-D127 PolarHBondContact NE-OD2 2.88Å; R94-D127 IonicContact NH2-OD1 2.75Å; S95-D127 PolarHBondContact N-OD2 2.86Å; S95-D127 WeakPolarHBondContact OG-CB 3.46Å; D124-D127 WeakPolarHBondContact OD1-CB 3.46Å; D124-D127 PolarHBondContact OD1-N 2.91Å; D124-D127 VanDerWaalsContact OD1-N 3.1Å; D124-D127 PolarHBondContact OD2-N 2.93Å; D127-T129 PolarHBondContact O-N 2.94Å
128	P	91.1	Very high	93.5	Very high	23 Å²	23	22.5 Å²	22.5	15%	0.149	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-57.3	129.8	178.5	-24	33.4	0	0	0	111.8	G97 L132 L133 E259	G97-P128 VanDerWaalsContact CA-O 3.27Å; G97-P128 WeakPolarHBondContact CA-O 3.38Å; P128-L132 HydrophobicContact CB-CD2 4.46Å; P128-L133 HydrophobicContact CB-CD1 4.49Å; P128-L133 HydrophobicContact CB-CD2 4.14Å; P128-L133 HydrophobicContact CB-CG 4.19Å; P128-E259 WeakPolarHBondContact CA-OE1 3.41Å
129	T	91.8	Very high	93.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-72.9	159.7	-179.7	77.6	0	0	0	0	112.7	N123 D127 D131 L132 L133 E259	N123-T129 HydrophobicContact CB-CG2 3.92Å; N123-T129 VanDerWaalsContact ND2-CB 3.27Å; N123-T129 WeakPolarHBondContact ND2-CB 3.35Å; N123-T129 VanDerWaalsContact ND2-CG2 3.29Å; N123-T129 WeakPolarHBondContact ND2-CG2 3.29Å; D127-T129 PolarHBondContact O-N 2.94Å; T129-D131 VanDerWaalsContact C-N 3.26Å; T129-D131 PolarHBondContact O-N 2.86Å; T129-L132 PolarHBondContact O-N 3.48Å; T129-L132 PolarHBondContact OG1-N 2.91Å; T129-L133 PolarHBondContact O-N 2.99Å; T129-E259 WeakPolarHBondContact CB-OE2 3.4Å; T129-E259 VanDerWaalsContact CG2-CD 3.46Å; T129-E259 HydrophobicContact CG2-CG 4.42Å; T129-E259 WeakPolarHBondContact CG2-OE2 3.38Å; T129-E259 PolarHBondContact N-OE1 3.05Å; T129-E259 PolarHBondContact N-OE2 2.91Å; T129-E259 PolarHBondContact OG1-OE2 3.09Å
130	V	93.9	Very high	93.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-34.8	178.9	-178.8	0	0	0	0	111.7	V96 L100 T122 K134 I153 V155 V168	V96-V130 HydrophobicContact CB-CG2 4.22Å; V96-V130 HydrophobicContact CG1-CG2 4.11Å; L100-V130 HydrophobicContact CD2-CG1 4.32Å; T122-V130 WeakPolarHBondContact O-CG2 3.19Å; V130-K134 WeakPolarHBondContact O-CB 3.43Å; V130-K134 PolarHBondContact O-N 3.38Å; V130-I153 HydrophobicContact CG1-CG2 3.5Å; V130-I153 VanDerWaalsContact CG1-CG2 3.5Å; V130-V155 HydrophobicContact CB-CG2 4.33Å; V130-V155 HydrophobicContact CG1-CG2 3.66Å; V130-V168 HydrophobicContact CB-CG2 4.46Å; V130-V168 HydrophobicContact CG1-CB 4.46Å; V130-V168 HydrophobicContact CG1-CG1 3.63Å; V130-V168 HydrophobicContact CG1-CG2 3.93Å; V130-V168 HydrophobicContact CG2-CG2 3.89Å
131	D	94.4	Very high	93.4	Very high	13 Å²	13	21 Å²	21	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-69.9	-37.9	178.2	-62.5	-70.3	0	0	0	111.6	T129 S135 R158 T245	T129-D131 VanDerWaalsContact C-N 3.26Å; T129-D131 PolarHBondContact O-N 2.86Å; D131-S135 WeakPolarHBondContact O-CB 3.4Å; D131-S135 PolarHBondContact O-N 3.38Å; D131-S135 PolarHBondContact O-OG 3.25Å; D131-R158 IonicContact OD1-CZ 3.43Å; D131-R158 IonicContact OD1-NH1 3.89Å; D131-R158 IonicContact OD1-NH2 2.97Å; D131-R158 PolarHBondContact OD1-NH2 2.94Å; D131-R158 IonicContact OD2-CZ 3.79Å; D131-R158 IonicContact OD2-NH1 2.88Å; D131-R158 PolarHBondContact OD2-NH1 2.77Å; D131-R158 IonicContact OD2-NH2 3.3Å; D131-R158 PolarHBondContact OD2-NH2 3.05Å; D131-R158 VanDerWaalsContact OD2-NH2 3.1Å; D131-T245 HydrophobicContact CB-CG2 4.34Å
132	L	95.3	Very high	93.5	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-55.8	173.2	-174.8	151.8	0	0	0	110.1	P128 T129 K134 S135 T136 T245 S257 E259	P128-L132 HydrophobicContact CB-CD2 4.46Å; T129-L132 PolarHBondContact O-N 3.48Å; T129-L132 PolarHBondContact OG1-N 2.91Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 3.27Å; L132-S135 PolarHBondContact O-N 2.93Å; L132-S135 PolarHBondContact O-OG 2.72Å; L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 PolarHBondContact O-OG1 3.35Å; L132-T245 HydrophobicContact CB-CG2 4.15Å; L132-S257 WeakPolarHBondContact CD1-OG 3.08Å; L132-S257 VanDerWaalsContact CG-OG 3.29Å; L132-S257 WeakPolarHBondContact CG-OG 3.09Å; L132-E259 WeakPolarHBondContact CB-OE2 3.47Å; L132-E259 HydrophobicContact CD1-CB 4.31Å; L132-E259 VanDerWaalsContact CD1-CD 3.47Å; L132-E259 HydrophobicContact CD1-CG 3.9Å; L132-E259 WeakPolarHBondContact CD1-OE2 3.5Å
133	L	95.8	Very high	93.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-38.8	179.2	-66	176.9	0	0	0	112.4	L100 L104 P128 T129 S135 A137 L138 I153	L100-L133 HydrophobicContact CB-CD1 4.09Å; L100-L133 HydrophobicContact CD2-CB 4.34Å; L100-L133 HydrophobicContact CD2-CD1 3.81Å; L100-L133 HydrophobicContact CG-CD1 3.95Å; L104-L133 HydrophobicContact CD1-CB 4.16Å; L104-L133 HydrophobicContact CD1-CD1 4.18Å; L104-L133 HydrophobicContact CD1-CD2 4.09Å; L104-L133 HydrophobicContact CD1-CG 4.38Å; P128-L133 HydrophobicContact CB-CD1 4.49Å; P128-L133 HydrophobicContact CB-CD2 4.14Å; P128-L133 HydrophobicContact CB-CG 4.19Å; T129-L133 PolarHBondContact O-N 2.99Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.46Å; L133-A137 HydrophobicContact CD2-CB 4.37Å; L133-A137 WeakPolarHBondContact O-CA 3.27Å; L133-A137 VanDerWaalsContact O-CB 3.25Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.3Å; L133-L138 PolarHBondContact O-N 3.46Å; L133-I153 HydrophobicContact CB-CD1 4.37Å
134	K	95.8	Very high	93.9	Very high	98 Å²	98	28.7 Å²	28.7	43%	0.426	16%	0.155	S	C	.	.	H	α-helix	trans	-60.4	-41.2	174.6	178.4	-178.5	178.2	177.7	0	112.5	V130 L132 L138 I153	V130-K134 WeakPolarHBondContact O-CB 3.43Å; V130-K134 PolarHBondContact O-N 3.38Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 3.27Å; K134-L138 HydrophobicContact CG-CD1 4.21Å; K134-I153 HydrophobicContact CB-CB 4.08Å; K134-I153 HydrophobicContact CB-CD1 4.41Å; K134-I153 HydrophobicContact CB-CG2 4.22Å; K134-I153 WeakPolarHBondContact CD-O 3.31Å; K134-I153 WeakPolarHBondContact CE-O 3.4Å; K134-I153 HydrophobicContact CG-CB 4.22Å
135	S	95.4	Very high	94.4	Very high	32 Å²	32	28.4 Å²	28.4	22%	0.224	16%	0.156	C	C	.	.	H	α-helix	trans	-89.1	-24.2	-171.3	59.5	0	0	0	0	114.3	D131 L132 L133 P139 V247	D131-S135 WeakPolarHBondContact O-CB 3.4Å; D131-S135 PolarHBondContact O-N 3.38Å; D131-S135 PolarHBondContact O-OG 3.25Å; L132-S135 PolarHBondContact O-N 2.93Å; L132-S135 PolarHBondContact O-OG 2.72Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.46Å; S135-P139 WeakPolarHBondContact O-CD 3.41Å; S135-P139 VanDerWaalsContact O-CG 3.31Å; S135-P139 WeakPolarHBondContact O-CG 3.42Å; S135-V247 VanDerWaalsContact OG-CG2 3.27Å; S135-V247 WeakPolarHBondContact OG-CG2 3.5Å
136	T	96.4	Very high	94.9	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-114.4	-46	-178.9	51.9	0	0	0	0	113.7	L132 P139 L140 V247 F255 S257 N298	L132-T136 PolarHBondContact O-N 3.02Å; L132-T136 PolarHBondContact O-OG1 3.35Å; T136-P139 WeakPolarHBondContact O-CD 3.38Å; T136-L140 VanDerWaalsContact O-CB 3.31Å; T136-L140 WeakPolarHBondContact O-CB 3.06Å; T136-L140 PolarHBondContact O-N 3.49Å; T136-V247 HydrophobicContact CG2-CG1 4.4Å; T136-F255 HydrophobicContact CG2-CB 3.98Å; T136-S257 VanDerWaalsContact CG2-OG 3.23Å; T136-S257 WeakPolarHBondContact CG2-OG 3.46Å; T136-N298 VanDerWaalsContact CB-ND2 3.3Å; T136-N298 WeakPolarHBondContact CB-ND2 3.27Å; T136-N298 PolarHBondContact OG1-ND2 2.93Å
137	A	97.3	Very high	95.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.6	-42.3	-179.7	0	0	0	0	0	113	L104 L133 L140 M141 N298 L301	L104-A137 HydrophobicContact CD1-CB 3.9Å; L133-A137 HydrophobicContact CD2-CB 4.37Å; L133-A137 WeakPolarHBondContact O-CA 3.27Å; L133-A137 VanDerWaalsContact O-CB 3.25Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.3Å; A137-L140 WeakPolarHBondContact O-CB 3.44Å; A137-L140 PolarHBondContact O-N 2.94Å; A137-M141 WeakPolarHBondContact O-CB 3.1Å; A137-M141 VanDerWaalsContact O-CG 3.29Å; A137-M141 WeakPolarHBondContact O-CG 3.2Å; A137-M141 PolarHBondContact O-N 3.46Å; A137-N298 WeakPolarHBondContact CB-OD1 3.45Å; A137-L301 HydrophobicContact CB-CD2 3.65Å
138	L	96.8	Very high	95	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-47.9	-179.4	-55.4	179.9	0	0	0	112.7	L104 L133 K134 L140 M141 K142 F151 I153 F170	L104-L138 HydrophobicContact CD2-CD2 3.98Å; L133-L138 PolarHBondContact O-N 3.46Å; K134-L138 HydrophobicContact CG-CD1 4.21Å; L138-L140 VanDerWaalsContact C-N 3.29Å; L138-L140 PolarHBondContact O-N 3.19Å; L138-M141 PolarHBondContact O-N 2.98Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.44Å; L138-F151 HydrophobicContact CB-CE1 4.15Å; L138-F151 HydrophobicContact CB-CZ 4.33Å; L138-F151 HydrophobicContact CD2-CD2 4.31Å; L138-F151 HydrophobicContact CD2-CE1 3.95Å; L138-F151 HydrophobicContact CD2-CE2 3.57Å; L138-F151 HydrophobicContact CD2-CZ 3.34Å; L138-F151 HydrophobicContact CG-CZ 4.43Å; L138-I153 HydrophobicContact CD1-CB 4.1Å; L138-I153 HydrophobicContact CD1-CD1 4.05Å; L138-I153 HydrophobicContact CD1-CG1 3.97Å; L138-I153 HydrophobicContact CD2-CD1 3.79Å; L138-I153 HydrophobicContact CD2-CG1 4.05Å; L138-I153 HydrophobicContact CG-CD1 3.93Å; L138-I153 HydrophobicContact CG-CG1 4.32Å; L138-F170 HydrophobicContact CD2-CE2 4.25Å
139	P	96.3	Very high	94.6	Very high	28 Å²	28	33.6 Å²	33.6	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-36.4	174.7	-25.4	37.7	0	0	0	113.1	S135 T136 K142 K143 F255	S135-P139 WeakPolarHBondContact O-CD 3.41Å; S135-P139 VanDerWaalsContact O-CG 3.31Å; S135-P139 WeakPolarHBondContact O-CG 3.42Å; T136-P139 WeakPolarHBondContact O-CD 3.38Å; P139-K142 WeakPolarHBondContact O-CB 3.42Å; P139-K142 PolarHBondContact O-N 2.92Å; P139-K143 PolarHBondContact O-N 3.33Å; P139-F255 HydrophobicContact CB-CD2 3.61Å; P139-F255 HydrophobicContact CB-CE2 3.44Å; P139-F255 VanDerWaalsContact CB-CE2 3.44Å; P139-F255 HydrophobicContact CB-CG 4.48Å; P139-F255 HydrophobicContact CB-CZ 4.19Å; P139-F255 HydrophobicContact CG-CD2 4.13Å; P139-F255 HydrophobicContact CG-CE2 4.03Å; P139-F255 HydrophobicContact CG-CZ 4.37Å
140	L	97.4	Very high	94.4	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-52	173.7	176.9	64.2	0	0	0	111	T136 A137 L138 K142 K143 F144 L183 V294 N298 L301 A302	T136-L140 VanDerWaalsContact O-CB 3.31Å; T136-L140 WeakPolarHBondContact O-CB 3.06Å; T136-L140 PolarHBondContact O-N 3.49Å; A137-L140 WeakPolarHBondContact O-CB 3.44Å; A137-L140 PolarHBondContact O-N 2.94Å; L138-L140 VanDerWaalsContact C-N 3.29Å; L138-L140 PolarHBondContact O-N 3.19Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.08Å; L140-K143 WeakPolarHBondContact O-CB 3.34Å; L140-K143 PolarHBondContact O-N 2.97Å; L140-F144 HydrophobicContact CD1-CD2 4.36Å; L140-F144 HydrophobicContact CD1-CE2 3.83Å; L140-F144 HydrophobicContact CG-CD2 4.46Å; L140-F144 HydrophobicContact CG-CE2 4.22Å; L140-F144 WeakPolarHBondContact O-CD2 3.14Å; L140-F144 PolarHBondContact O-N 3.27Å; L140-L183 HydrophobicContact CD1-CD1 4.33Å; L140-V294 HydrophobicContact CD1-CG2 3.82Å; L140-V294 HydrophobicContact CD2-CG1 3.93Å; L140-N298 HydrophobicContact CD2-CB 3.89Å; L140-L301 HydrophobicContact CD2-CB 4.44Å; L140-L301 HydrophobicContact CD2-CD2 4.24Å; L140-L301 HydrophobicContact CD2-CG 4.28Å; L140-A302 HydrophobicContact CD1-CB 4.33Å; L140-A302 HydrophobicContact CD2-CB 4Å
141	M	97.7	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-35.1	178.3	-71.9	175.9	73.6	0	0	112.6	L104 P108 A137 L138 K143 F144 G145 I146 F151 L301 L305	L104-M141 HydrophobicContact CB-SD 4.11Å; L104-M141 HydrophobicContact CD2-CE 4.44Å; L104-M141 HydrophobicContact CD2-SD 3.56Å; L104-M141 VanDerWaalsContact CD2-SD 3.56Å; L104-M141 HydrophobicContact CG-SD 4.44Å; L104-M141 WeakPolarHBondContact O-CE 3.42Å; P108-M141 HydrophobicContact CG-CE 3.53Å; A137-M141 WeakPolarHBondContact O-CB 3.1Å; A137-M141 VanDerWaalsContact O-CG 3.29Å; A137-M141 WeakPolarHBondContact O-CG 3.2Å; A137-M141 PolarHBondContact O-N 3.46Å; L138-M141 PolarHBondContact O-N 2.98Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.77Å; M141-F144 WeakPolarHBondContact O-CB 3.31Å; M141-F144 PolarHBondContact O-N 2.79Å; M141-F144 VanDerWaalsContact O-N 3.12Å; M141-G145 PolarHBondContact O-N 3.28Å; M141-I146 HydrophobicContact CB-CB 4.16Å; M141-I146 HydrophobicContact CB-CD1 4.08Å; M141-I146 HydrophobicContact CE-CD1 3.81Å; M141-I146 HydrophobicContact CE-CG2 4.12Å; M141-I146 HydrophobicContact CG-CD1 4.3Å; M141-I146 WeakPolarHBondContact O-CB 3.27Å; M141-I146 PolarHBondContact O-N 3.34Å; M141-F151 HydrophobicContact CB-CE1 3.97Å; M141-F151 HydrophobicContact CB-CZ 3.79Å; M141-F151 HydrophobicContact CE-CE2 4.19Å; M141-F151 HydrophobicContact CE-CZ 3.85Å; M141-F151 HydrophobicContact CG-CZ 4.42Å; M141-F151 HydrophobicContact SD-CE2 4.47Å; M141-F151 HydrophobicContact SD-CZ 3.8Å; M141-L301 HydrophobicContact CG-CD2 4.07Å; M141-L301 HydrophobicContact SD-CD2 4.21Å; M141-L305 HydrophobicContact CG-CD1 4Å
142	K	96.7	Very high	94.6	Very high	105 Å²	105	40.5 Å²	40.5	46%	0.457	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-37.3	173.4	-72.4	176.1	-176.9	-177.2	0	112.6	L138 P139 L140 F144 G145 I146 D147 F151	L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.44Å; P139-K142 WeakPolarHBondContact O-CB 3.42Å; P139-K142 PolarHBondContact O-N 2.92Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 3.08Å; K142-F144 PolarHBondContact O-N 2.93Å; K142-G145 WeakPolarHBondContact O-CA 3.38Å; K142-G145 PolarHBondContact O-N 3.17Å; K142-I146 WeakPolarHBondContact CA-O 3.24Å; K142-I146 WeakPolarHBondContact CG-O 3.45Å; K142-D147 HydrophobicContact CG-CB 4.26Å; K142-F151 HydrophobicContact CG-CD1 4.08Å; K142-F151 HydrophobicContact CG-CE1 4.07Å
143	K	96	Very high	94.8	Very high	61 Å²	61	40.5 Å²	40.5	27%	0.265	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-31.5	175	-64.9	179.9	173.4	-166.3	0	112.3	P139 L140 M141 G145 V181 L183 G253 C254	P139-K143 PolarHBondContact O-N 3.33Å; L140-K143 WeakPolarHBondContact O-CB 3.34Å; L140-K143 PolarHBondContact O-N 2.97Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.77Å; K143-G145 PolarHBondContact O-N 3.33Å; K143-V181 WeakPolarHBondContact O-CG1 3.37Å; K143-L183 HydrophobicContact CD-CD1 3.89Å; K143-L183 HydrophobicContact CD-CD2 3.76Å; K143-G253 WeakPolarHBondContact CE-O 3.48Å; K143-G253 PolarHBondContact NZ-O 2.95Å; K143-C254 PolarHBondContact NZ-SG 2.79Å; K143-C254 VanDerWaalsContact NZ-SG 3.41Å
144	F	96.8	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.3	173.6	-76.9	-81.4	0	0	0	113.6	L140 M141 K142 I178 K179 V181 L305 M306	L140-F144 HydrophobicContact CD1-CD2 4.36Å; L140-F144 HydrophobicContact CD1-CE2 3.83Å; L140-F144 HydrophobicContact CG-CD2 4.46Å; L140-F144 HydrophobicContact CG-CE2 4.22Å; L140-F144 WeakPolarHBondContact O-CD2 3.14Å; L140-F144 PolarHBondContact O-N 3.27Å; M141-F144 WeakPolarHBondContact O-CB 3.31Å; M141-F144 PolarHBondContact O-N 2.79Å; M141-F144 VanDerWaalsContact O-N 3.12Å; K142-F144 PolarHBondContact O-N 2.93Å; F144-I178 HydrophobicContact CB-CG2 3.76Å; F144-I178 HydrophobicContact CD1-CG2 3.61Å; F144-I178 HydrophobicContact CG-CG2 4.12Å; F144-K179 WeakPolarHBondContact CD1-O 3.43Å; F144-K179 PolarHBondContact O-N 2.9Å; F144-V181 HydrophobicContact CD1-CG1 3.66Å; F144-V181 HydrophobicContact CD1-CG2 4.3Å; F144-V181 HydrophobicContact CD2-CG1 4.27Å; F144-V181 HydrophobicContact CE1-CB 4.27Å; F144-V181 HydrophobicContact CE1-CG1 3.75Å; F144-V181 HydrophobicContact CE1-CG2 3.51Å; F144-V181 HydrophobicContact CE2-CG1 4.33Å; F144-V181 HydrophobicContact CE2-CG2 4.19Å; F144-V181 HydrophobicContact CG-CG1 3.94Å; F144-V181 HydrophobicContact CZ-CB 4.42Å; F144-V181 HydrophobicContact CZ-CG1 4.09Å; F144-V181 HydrophobicContact CZ-CG2 3.44Å; F144-V181 VanDerWaalsContact CZ-CG2 3.44Å; F144-L305 HydrophobicContact CB-CD1 4.25Å; F144-L305 HydrophobicContact CD1-CB 3.57Å; F144-L305 HydrophobicContact CD2-CB 3.92Å; F144-L305 HydrophobicContact CD2-CD1 3.52Å; F144-L305 HydrophobicContact CD2-CG 4.38Å; F144-L305 HydrophobicContact CE1-CB 3.58Å; F144-L305 HydrophobicContact CE2-CB 3.95Å; F144-L305 HydrophobicContact CE2-CD1 3.94Å; F144-L305 HydrophobicContact CG-CB 3.74Å; F144-L305 HydrophobicContact CG-CD1 3.87Å; F144-L305 HydrophobicContact CG-CG 4.41Å; F144-L305 HydrophobicContact CZ-CB 3.78Å; F144-M306 HydrophobicContact CE1-CG 3.89Å; F144-M306 HydrophobicContact CZ-CG 3.83Å
145	G	95.3	Very high	94.9	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	16.1	-179.8	0	0	0	0	0	114.2	M141 K142 K143 D147 R175	M141-G145 PolarHBondContact O-N 3.28Å; K142-G145 WeakPolarHBondContact O-CA 3.38Å; K142-G145 PolarHBondContact O-N 3.17Å; K143-G145 PolarHBondContact O-N 3.33Å; G145-D147 PolarHBondContact O-N 3.02Å; G145-R175 PolarHBondContact O-NE 3.1Å
146	I	95.2	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.			trans	-93	88.7	172.1	-53.1	158.4	0	0	0	108	P108 M141 K142 F151 P173 R175 I178 L305	P108-I146 HydrophobicContact CB-CD1 3.89Å; P108-I146 HydrophobicContact CB-CG1 4.2Å; P108-I146 HydrophobicContact CB-CG2 4.47Å; P108-I146 HydrophobicContact CG-CD1 3.6Å; P108-I146 HydrophobicContact CG-CG1 4.3Å; P108-I146 HydrophobicContact CG-CG2 4.26Å; M141-I146 HydrophobicContact CB-CB 4.16Å; M141-I146 HydrophobicContact CB-CD1 4.08Å; M141-I146 HydrophobicContact CE-CD1 3.81Å; M141-I146 HydrophobicContact CE-CG2 4.12Å; M141-I146 HydrophobicContact CG-CD1 4.3Å; M141-I146 WeakPolarHBondContact O-CB 3.27Å; M141-I146 PolarHBondContact O-N 3.34Å; K142-I146 WeakPolarHBondContact CA-O 3.24Å; K142-I146 WeakPolarHBondContact CG-O 3.45Å; I146-F151 HydrophobicContact CG2-CE1 4.35Å; I146-F151 HydrophobicContact CG2-CE2 4.4Å; I146-F151 HydrophobicContact CG2-CZ 4.19Å; I146-F151 VanDerWaalsContact O-CD1 3.29Å; I146-F151 WeakPolarHBondContact O-CD1 3.47Å; I146-F151 VanDerWaalsContact O-CE1 3.23Å; I146-F151 WeakPolarHBondContact O-CE1 3.39Å; I146-P173 HydrophobicContact CG2-CG 4.49Å; I146-R175 HydrophobicContact CG1-CG 4.1Å; I146-I178 HydrophobicContact CD1-CD1 3.91Å; I146-I178 HydrophobicContact CG1-CD1 4.46Å; I146-L305 HydrophobicContact CD1-CD2 3.98Å
147	D	91.3	Very high	95	Very high	78 Å²	78	45.5 Å²	45.5	42%	0.417	24%	0.241	S	C	.	.			trans	-135.1	169.6	-177.2	60.6	-20.2	0	0	0	111.6	K142 G145 P173 R175	K142-D147 HydrophobicContact CG-CB 4.26Å; G145-D147 PolarHBondContact O-N 3.02Å; D147-P173 VanDerWaalsContact O-CG 3.3Å; D147-P173 WeakPolarHBondContact O-CG 3.47Å; D147-R175 PolarHBondContact O-NH2 2.91Å; D147-R175 IonicContact OD1-CZ 2.74Å; D147-R175 IonicContact OD1-NE 3.48Å; D147-R175 IonicContact OD1-NH2 2.63Å; D147-R175 PolarHBondContact OD1-NH2 3.27Å
148	G	87.6	Confident	94.9	Very high	42 Å²	42	45.6 Å²	45.6	43%	0.433	24%	0.242	S	C	.	.			trans	152.5	157.5	179.9	0	0	0	0	0	111.3	A150 F151	G148-A150 PolarHBondContact O-N 3.07Å; G148-F151 WeakPolarHBondContact O-CB 3.42Å; G148-F151 PolarHBondContact O-N 3.02Å
149	E	82.9	Confident	94.8	Very high	207 Å²	207	45.1 Å²	45.1	97%	0.967	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.2	-176.5	-64.7	-178	168.9	0	0	112.4
150	A	88.3	Confident	94.7	Very high	60 Å²	60	44.2 Å²	44.2	50%	0.496	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4.9	-180	0	0	0	0	0	113.9	G148 E152 T171	G148-A150 PolarHBondContact O-N 3.07Å; A150-E152 PolarHBondContact O-N 3.37Å; A150-E152 VanDerWaalsContact O-N 3.11Å; A150-T171 HydrophobicContact CB-CG2 3.9Å; A150-T171 WeakPolarHBondContact O-CB 3.27Å; A150-T171 WeakPolarHBondContact O-CG2 3.33Å
151	F	96.6	Very high	94.4	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.044	24%	0.236	C	C	.	.			trans	-79.5	95.1	-179.4	-176.2	-137.4	0	0	0	111.1	L138 M141 K142 I146 G148 F170 T171 C172 P173	L138-F151 HydrophobicContact CB-CE1 4.15Å; L138-F151 HydrophobicContact CB-CZ 4.33Å; L138-F151 HydrophobicContact CD2-CD2 4.31Å; L138-F151 HydrophobicContact CD2-CE1 3.95Å; L138-F151 HydrophobicContact CD2-CE2 3.57Å; L138-F151 HydrophobicContact CD2-CZ 3.34Å; L138-F151 HydrophobicContact CG-CZ 4.43Å; M141-F151 HydrophobicContact CB-CE1 3.97Å; M141-F151 HydrophobicContact CB-CZ 3.79Å; M141-F151 HydrophobicContact CE-CE2 4.19Å; M141-F151 HydrophobicContact CE-CZ 3.85Å; M141-F151 HydrophobicContact CG-CZ 4.42Å; M141-F151 HydrophobicContact SD-CE2 4.47Å; M141-F151 HydrophobicContact SD-CZ 3.8Å; K142-F151 HydrophobicContact CG-CD1 4.08Å; K142-F151 HydrophobicContact CG-CE1 4.07Å; I146-F151 HydrophobicContact CG2-CE1 4.35Å; I146-F151 HydrophobicContact CG2-CE2 4.4Å; I146-F151 HydrophobicContact CG2-CZ 4.19Å; I146-F151 VanDerWaalsContact O-CD1 3.29Å; I146-F151 WeakPolarHBondContact O-CD1 3.47Å; I146-F151 VanDerWaalsContact O-CE1 3.23Å; I146-F151 WeakPolarHBondContact O-CE1 3.39Å; G148-F151 WeakPolarHBondContact O-CB 3.42Å; G148-F151 PolarHBondContact O-N 3.02Å; F151-F170 HydrophobicContact CD2-CE2 4.4Å; F151-F170 AromaticContact CE2-CE2 3.89Å; F151-F170 HydrophobicContact CE2-CE2 3.89Å; F151-F170 HydrophobicContact CE2-CZ 4.3Å; F151-T171 WeakPolarHBondContact CA-O 3.5Å; F151-T171 WeakPolarHBondContact CD2-O 3.44Å; F151-C172 HydrophobicContact CD2-CB 4.33Å; F151-C172 HydrophobicContact CE2-CB 4.37Å; F151-P173 HydrophobicContact CB-CG 4.2Å
152	E	97	Very high	94.1	Very high	90 Å²	90	47.5 Å²	47.5	42%	0.421	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156	-174.6	64.6	168.5	-159.9	0	0	114.4	A150 T171	A150-E152 PolarHBondContact O-N 3.37Å; A150-E152 VanDerWaalsContact O-N 3.11Å; E152-T171 PolarHBondContact N-O 3.44Å; E152-T171 VanDerWaalsContact N-O 3.15Å; E152-T171 PolarHBondContact O-N 3.31Å
153	I	97.9	Very high	93.8	Very high	2 Å²	2	44 Å²	44	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.6	162.6	-67.3	165.7	0	0	0	107.4	L100 L104 V130 L133 K134 L138 V168 F170	L100-I153 HydrophobicContact CD1-CD1 4.46Å; L100-I153 HydrophobicContact CD2-CD1 3.8Å; L100-I153 HydrophobicContact CD2-CG1 4.34Å; L100-I153 HydrophobicContact CD2-CG2 4.28Å; L100-I153 HydrophobicContact CG-CD1 4.44Å; L104-I153 HydrophobicContact CD2-CD1 4.29Å; V130-I153 HydrophobicContact CG1-CG2 3.5Å; V130-I153 VanDerWaalsContact CG1-CG2 3.5Å; L133-I153 HydrophobicContact CB-CD1 4.37Å; K134-I153 HydrophobicContact CB-CB 4.08Å; K134-I153 HydrophobicContact CB-CD1 4.41Å; K134-I153 HydrophobicContact CB-CG2 4.22Å; K134-I153 WeakPolarHBondContact CD-O 3.31Å; K134-I153 WeakPolarHBondContact CE-O 3.4Å; K134-I153 HydrophobicContact CG-CB 4.22Å; L138-I153 HydrophobicContact CD1-CB 4.1Å; L138-I153 HydrophobicContact CD1-CD1 4.05Å; L138-I153 HydrophobicContact CD1-CG1 3.97Å; L138-I153 HydrophobicContact CD2-CD1 3.79Å; L138-I153 HydrophobicContact CD2-CG1 4.05Å; L138-I153 HydrophobicContact CG-CD1 3.93Å; L138-I153 HydrophobicContact CG-CG1 4.32Å; I153-V168 HydrophobicContact CG2-CG1 3.88Å; I153-F170 HydrophobicContact CD1-CD2 4.38Å; I153-F170 HydrophobicContact CG1-CB 4.47Å; I153-F170 HydrophobicContact CG1-CD2 3.59Å; I153-F170 HydrophobicContact CG1-CE2 4.25Å; I153-F170 HydrophobicContact CG1-CG 4.38Å
154	K	96.9	Very high	93.6	Very high	114 Å²	114	41.1 Å²	41.1	50%	0.496	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.6	180	-174.6	177.3	-177	176.2	0	110.6	V156 V168 V169	K154-V156 HydrophobicContact CG-CG2 4.4Å; K154-V156 PolarHBondContact O-N 2.93Å; K154-V168 CarbonylContact O-C 3.55Å; K154-V168 WeakPolarHBondContact O-CA 3.3Å; K154-V169 PolarHBondContact N-O 2.93Å; K154-V169 PolarHBondContact O-N 3.2Å
155	V	96.9	Very high	93.5	Very high	23 Å²	23	42.7 Å²	42.7	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.6	168.9	-176.5	0	0	0	0	107.7	V130 R158	V130-V155 HydrophobicContact CB-CG2 4.33Å; V130-V155 HydrophobicContact CG1-CG2 3.66Å; V155-R158 HydrophobicContact CG1-CG 3.69Å
156	V	97	Very high	93.6	Very high	46 Å²	46	42.3 Å²	42.3	28%	0.279	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-42.1	178.1	-177	0	0	0	0	110	K154 E167 V169	K154-V156 HydrophobicContact CG-CG2 4.4Å; K154-V156 PolarHBondContact O-N 2.93Å; V156-E167 HydrophobicContact CB-CB 4.26Å; V156-E167 HydrophobicContact CB-CG 4.24Å; V156-E167 PolarHBondContact N-O 2.88Å; V156-V169 HydrophobicContact CG2-CG2 3.83Å
157	K	96.9	Very high	93.7	Very high	58 Å²	58	44.1 Å²	44.1	25%	0.252	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143	175.7	-53.6	179.4	-175	133.4	0	109	G166 E167 N235	K157-G166 CarbonylContact O-C 3.55Å; K157-G166 VanDerWaalsContact O-CA 3.24Å; K157-G166 WeakPolarHBondContact O-CA 3.27Å; K157-E167 HydrophobicContact CB-CB 4.02Å; K157-E167 HydrophobicContact CD-CB 4.25Å; K157-E167 HydrophobicContact CG-CB 4.1Å; K157-E167 PolarHBondContact N-O 2.81Å; K157-E167 VanDerWaalsContact N-O 3.07Å; K157-E167 IonicContact NZ-OE2 3.83Å; K157-E167 PolarHBondContact NZ-OE2 3.06Å; K157-E167 PolarHBondContact O-N 2.92Å; K157-N235 WeakPolarHBondContact CA-O 3.28Å; K157-N235 HydrophobicContact CG-CB 4.41Å
158	R	95.8	Very high	94.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	24%	0.238	C	C	.	.			trans	-95.5	142.6	171.7	-76.1	-177.7	-177.8	-77.5	-4.4	109.9	N123 D131 V155 V199 D229 M231 N235 S236 G237	N123-R158 PolarHBondContact OD1-NH1 2.98Å; D131-R158 IonicContact OD1-CZ 3.43Å; D131-R158 IonicContact OD1-NH1 3.89Å; D131-R158 IonicContact OD1-NH2 2.97Å; D131-R158 PolarHBondContact OD1-NH2 2.94Å; D131-R158 IonicContact OD2-CZ 3.79Å; D131-R158 IonicContact OD2-NH1 2.88Å; D131-R158 PolarHBondContact OD2-NH1 2.77Å; D131-R158 IonicContact OD2-NH2 3.3Å; D131-R158 PolarHBondContact OD2-NH2 3.05Å; D131-R158 VanDerWaalsContact OD2-NH2 3.1Å; V155-R158 HydrophobicContact CG1-CG 3.69Å; R158-V199 HydrophobicContact CB-CG1 3.61Å; R158-D229 IonicContact CZ-OD2 2.69Å; R158-D229 IonicContact NE-OD2 3.67Å; R158-D229 PolarHBondContact NE-OD2 3.3Å; R158-D229 IonicContact NH2-OD2 2.76Å; R158-D229 PolarHBondContact NH2-OD2 3.27Å; R158-M231 HydrophobicContact CB-SD 3.88Å; R158-M231 HydrophobicContact CG-SD 3.72Å; R158-M231 PolarHBondContact N-SD 2.99Å; R158-N235 PolarHBondContact N-O 2.79Å; R158-S236 CarbonylContact O-C 3.14Å; R158-G237 WeakPolarHBondContact O-CA 3.48Å; R158-G237 PolarHBondContact O-N 2.84Å
159	G	94.9	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.			trans	-144.8	120.5	178.4	0	0	0	0	0	111.2	V121 T122 G164	V121-G159 CarbonylContact C-O 3.56Å; V121-G159 VanDerWaalsContact CA-O 3.28Å; V121-G159 WeakPolarHBondContact CA-O 3.44Å; T122-G159 PolarHBondContact N-O 2.57Å; T122-G159 PolarHBondContact OG1-N 3.15Å; T122-G159 VanDerWaalsContact OG1-N 3.11Å; T122-G159 PolarHBondContact OG1-O 3.11Å; G159-G164 WeakPolarHBondContact CA-O 3.37Å
160	M	93.7	Very high	95.3	Very high	9 Å²	9	29.5 Å²	29.5	4%	0.044	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-93.4	155.2	-179.3	-55.9	-67.2	94.5	0	0	110.8	T122 N123 G163 G164 Y197 V199 S239	T122-M160 VanDerWaalsContact OG1-CE 3.28Å; T122-M160 WeakPolarHBondContact OG1-CE 3.38Å; N123-M160 HydrophobicContact CB-CE 3.7Å; N123-M160 HydrophobicContact CB-SD 4.21Å; N123-M160 WeakPolarHBondContact OD1-CE 3.37Å; M160-G163 PolarHBondContact O-N 2.89Å; M160-G164 WeakPolarHBondContact O-CA 3.4Å; M160-G164 PolarHBondContact O-N 2.92Å; M160-Y197 HydrophobicContact CE-CE2 4.06Å; M160-Y197 HydrophobicContact SD-CE2 3.7Å; M160-V199 HydrophobicContact CG-CG2 3.37Å; M160-V199 HydrophobicContact SD-CG2 4.29Å; M160-S239 WeakPolarHBondContact O-CB 3.47Å
161	A	92	Very high	95.8	Very high	15 Å²	15	27.7 Å²	27.7	12%	0.124	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	149.7	167.8	0	0	0	0	0	110.8	V121 P264	V121-A161 HydrophobicContact CG1-CB 4.13Å; V121-A161 HydrophobicContact CG2-CB 4.19Å; A161-P264 HydrophobicContact CB-CB 4Å; A161-P264 HydrophobicContact CB-CG 4.16Å
162	P	91.3	Very high	95.8	Very high	66 Å²	66	27.2 Å²	27.2	43%	0.429	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.2	-18.4	-0.2	32.8	-35.3	0	0	0	114.6	G164	P162-G164 PolarHBondContact O-N 3.14Å
163	G	89.4	Confident	95.8	Very high	30 Å²	30	24.1 Å²	24.1	31%	0.309	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20	-170.1	0	0	0	0	0	115.2	M160 G165 K238 S239	M160-G163 PolarHBondContact O-N 2.89Å; G163-G165 PolarHBondContact O-N 3.4Å; G163-K238 WeakPolarHBondContact O-CD 3.34Å; G163-S239 WeakPolarHBondContact CA-OG 3.38Å; G163-S239 PolarHBondContact N-OG 3.11Å
164	G	92.6	Very high	95.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	15%	0.149	C	C	.	.			trans	58.4	-130.6	-179.2	0	0	0	0	0	112.6	G159 M160 P162 G237 K238	G159-G164 WeakPolarHBondContact CA-O 3.37Å; M160-G164 WeakPolarHBondContact O-CA 3.4Å; M160-G164 PolarHBondContact O-N 2.92Å; P162-G164 PolarHBondContact O-N 3.14Å; G164-G237 WeakPolarHBondContact O-CA 3.28Å; G164-K238 PolarHBondContact O-N 3.38Å
165	G	95	Very high	95.5	Very high	33 Å²	33	22.4 Å²	22.4	34%	0.34	14%	0.137	S	C	.	.			trans	84	16	-179.9	0	0	0	0	0	114.6	G120 G163	G120-G165 PolarHBondContact O-N 3.42Å; G163-G165 PolarHBondContact O-N 3.4Å
166	G	96.8	Very high	95.2	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	166.3	169.4	0	0	0	0	0	111.9	K119 G120 K157	K119-G166 CarbonylContact C-O 3.57Å; K119-G166 VanDerWaalsContact CA-O 3.25Å; K119-G166 WeakPolarHBondContact CA-O 3.48Å; G120-G166 PolarHBondContact N-O 2.69Å; G120-G166 WeakPolarHBondContact O-CA 3.23Å; G120-G166 PolarHBondContact O-N 3.43Å; K157-G166 CarbonylContact O-C 3.55Å; K157-G166 VanDerWaalsContact O-CA 3.24Å; K157-G166 WeakPolarHBondContact O-CA 3.27Å
167	E	97.9	Very high	95.1	Very high	39 Å²	39	26.7 Å²	26.7	18%	0.182	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	124.2	-174	-174.4	-178.1	135.4	0	0	108.9	T117 L118 K119 V156 K157	T117-E167 HydrophobicContact CG2-CG 3.94Å; L118-E167 CarbonylContact O-C 3.56Å; L118-E167 WeakPolarHBondContact O-CA 3.43Å; K119-E167 HydrophobicContact CG-CG 4.2Å; V156-E167 HydrophobicContact CB-CB 4.26Å; V156-E167 HydrophobicContact CB-CG 4.24Å; V156-E167 PolarHBondContact N-O 2.88Å; K157-E167 HydrophobicContact CB-CB 4.02Å; K157-E167 HydrophobicContact CD-CB 4.25Å; K157-E167 HydrophobicContact CG-CB 4.1Å; K157-E167 PolarHBondContact N-O 2.81Å; K157-E167 VanDerWaalsContact N-O 3.07Å; K157-E167 IonicContact NZ-OE2 3.83Å; K157-E167 PolarHBondContact NZ-OE2 3.06Å; K157-E167 PolarHBondContact O-N 2.92Å
168	V	98.3	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.5	-177.1	179.2	0	0	0	0	108.7	V96 T117 L118 T122 V130 I153 K154	V96-V168 HydrophobicContact CG1-CB 4.06Å; V96-V168 HydrophobicContact CG1-CG2 4.03Å; T117-V168 CarbonylContact C-O 3.59Å; T117-V168 WeakPolarHBondContact CA-O 3.48Å; L118-V168 PolarHBondContact N-O 2.94Å; L118-V168 PolarHBondContact O-N 3.43Å; T122-V168 HydrophobicContact CG2-CG2 3.95Å; V130-V168 HydrophobicContact CB-CG2 4.46Å; V130-V168 HydrophobicContact CG1-CB 4.46Å; V130-V168 HydrophobicContact CG1-CG1 3.63Å; V130-V168 HydrophobicContact CG1-CG2 3.93Å; V130-V168 HydrophobicContact CG2-CG2 3.89Å; I153-V168 HydrophobicContact CG2-CG1 3.88Å; K154-V168 CarbonylContact O-C 3.55Å; K154-V168 WeakPolarHBondContact O-CA 3.3Å
169	V	98.4	Very high	94.9	Very high	19 Å²	19	30 Å²	30	12%	0.115	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.6	174.9	-179.8	0	0	0	0	108.6	K115 A116 T117 K154 V156	K115-V169 HydrophobicContact CG-CG1 4.29Å; A116-V169 CarbonylContact O-C 3.58Å; A116-V169 VanDerWaalsContact O-CA 3.31Å; A116-V169 WeakPolarHBondContact O-CA 3.45Å; T117-V169 HydrophobicContact CG2-CG2 4.38Å; K154-V169 PolarHBondContact N-O 2.93Å; K154-V169 PolarHBondContact O-N 3.2Å; V156-V169 HydrophobicContact CG2-CG2 3.83Å
170	F	98.5	Very high	95	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.6	172.7	171.2	-129.8	0	0	0	109.5	L100 L103 L104 A107 L114 K115 A116 L138 F151 I153 C172	L100-F170 HydrophobicContact CD1-CB 3.68Å; L100-F170 HydrophobicContact CD1-CD1 3.76Å; L100-F170 HydrophobicContact CD1-CD2 4.23Å; L100-F170 HydrophobicContact CD1-CE1 4.43Å; L100-F170 HydrophobicContact CD1-CG 3.63Å; L103-F170 HydrophobicContact CB-CD1 4.1Å; L103-F170 HydrophobicContact CB-CE1 4.03Å; L104-F170 HydrophobicContact CD2-CE1 4.41Å; L104-F170 HydrophobicContact CD2-CE2 3.72Å; L104-F170 HydrophobicContact CD2-CZ 3.62Å; L104-F170 HydrophobicContact CG-CZ 4.32Å; A107-F170 HydrophobicContact CB-CE1 3.78Å; A107-F170 HydrophobicContact CB-CZ 4.2Å; L114-F170 HydrophobicContact CD2-CD1 3.98Å; L114-F170 HydrophobicContact CD2-CE1 4Å; K115-F170 CarbonylContact C-O 3.58Å; K115-F170 WeakPolarHBondContact CA-O 3.46Å; A116-F170 PolarHBondContact N-O 3.3Å; A116-F170 PolarHBondContact O-N 3.49Å; L138-F170 HydrophobicContact CD2-CE2 4.25Å; F151-F170 HydrophobicContact CD2-CE2 4.4Å; F151-F170 AromaticContact CE2-CE2 3.89Å; F151-F170 HydrophobicContact CE2-CE2 3.89Å; F151-F170 HydrophobicContact CE2-CZ 4.3Å; I153-F170 HydrophobicContact CD1-CD2 4.38Å; I153-F170 HydrophobicContact CG1-CB 4.47Å; I153-F170 HydrophobicContact CG1-CD2 3.59Å; I153-F170 HydrophobicContact CG1-CE2 4.25Å; I153-F170 HydrophobicContact CG1-CG 4.38Å; F170-C172 HydrophobicContact CE1-CB 3.94Å; F170-C172 HydrophobicContact CE2-CB 4Å; F170-C172 HydrophobicContact CZ-CB 3.49Å; F170-C172 VanDerWaalsContact CZ-CB 3.49Å
171	T	98.1	Very high	95.1	Very high	22 Å²	22	31.7 Å²	31.7	14%	0.135	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.7	176.4	-53.4	0	0	0	0	109.5	L114 A150 F151 E152	L114-T171 CarbonylContact O-C 3.58Å; L114-T171 VanDerWaalsContact O-CA 3.27Å; L114-T171 WeakPolarHBondContact O-CA 3.36Å; A150-T171 HydrophobicContact CB-CG2 3.9Å; A150-T171 WeakPolarHBondContact O-CB 3.27Å; A150-T171 WeakPolarHBondContact O-CG2 3.33Å; F151-T171 WeakPolarHBondContact CA-O 3.5Å; F151-T171 WeakPolarHBondContact CD2-O 3.44Å; E152-T171 PolarHBondContact N-O 3.44Å; E152-T171 VanDerWaalsContact N-O 3.15Å; E152-T171 PolarHBondContact O-N 3.31Å
172	C	97.5	Very high	95.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128	-176.8	-171.1	0	0	0	0	112.2	A107 P113 L114 F151 F170	A107-C172 HydrophobicContact CB-CB 3.6Å; P113-C172 WeakPolarHBondContact CA-O 3.35Å; L114-C172 HydrophobicContact CB-CB 4.46Å; L114-C172 PolarHBondContact N-O 3.49Å; L114-C172 PolarHBondContact O-N 3.42Å; F151-C172 HydrophobicContact CD2-CB 4.33Å; F151-C172 HydrophobicContact CE2-CB 4.37Å; F170-C172 HydrophobicContact CE1-CB 3.94Å; F170-C172 HydrophobicContact CE2-CB 4Å; F170-C172 HydrophobicContact CZ-CB 3.49Å; F170-C172 VanDerWaalsContact CZ-CB 3.49Å
173	P	95.8	Very high	95.6	Very high	24 Å²	24	34.1 Å²	34.1	16%	0.156	19%	0.185	C	C	.	.			trans	-73.3	157.8	172.5	31.3	-33.3	0	0	0	111.1	I146 D147 F151	I146-P173 HydrophobicContact CG2-CG 4.49Å; D147-P173 VanDerWaalsContact O-CG 3.3Å; D147-P173 WeakPolarHBondContact O-CG 3.47Å; F151-P173 HydrophobicContact CB-CG 4.2Å
174	V	94.7	Very high	95.8	Very high	14 Å²	14	35 Å²	35	9%	0.085	18%	0.184	C	C	.	.			trans	-86.9	140.1	174.7	176.5	0	0	0	0	110.6	M110 T112 P113 N369 K372	M110-V174 HydrophobicContact CB-CG2 4.46Å; M110-V174 WeakPolarHBondContact O-CG1 3.21Å; M110-V174 VanDerWaalsContact O-CG2 3.32Å; M110-V174 WeakPolarHBondContact O-CG2 3.25Å; T112-V174 WeakPolarHBondContact O-CG2 3.35Å; P113-V174 HydrophobicContact CG-CG2 4.34Å; V174-N369 WeakPolarHBondContact CG1-ND2 3.35Å; V174-K372 HydrophobicContact CG1-CB 4.36Å; V174-K372 HydrophobicContact CG1-CD 3.98Å; V174-K372 HydrophobicContact CG1-CG 4.31Å
175	R	93.8	Very high	95.8	Very high	66 Å²	66	41.5 Å²	41.5	25%	0.249	21%	0.214	C	C	.	.			trans	-118.6	144.6	171.2	-67.7	-63.3	-178.3	-119.7	16.8	111.2	P108 G145 I146 D147 N369	P108-R175 PolarHBondContact O-N 2.94Å; G145-R175 PolarHBondContact O-NE 3.1Å; I146-R175 HydrophobicContact CG1-CG 4.1Å; D147-R175 PolarHBondContact O-NH2 2.91Å; D147-R175 IonicContact OD1-CZ 2.74Å; D147-R175 IonicContact OD1-NE 3.48Å; D147-R175 IonicContact OD1-NH2 2.63Å; D147-R175 PolarHBondContact OD1-NH2 3.27Å; R175-N369 VanDerWaalsContact O-CB 3.23Å; R175-N369 WeakPolarHBondContact O-CB 3.32Å; R175-N369 PolarHBondContact O-ND2 3.46Å
176	K	91.6	Very high	95.5	Very high	106 Å²	106	41.3 Å²	41.3	46%	0.461	21%	0.207	S	C	.	.	S	Bend	trans	-80	-45.9	175	-172.6	-179.9	179.5	-179.7	0	109.8	S368 N369 K372	K176-S368 WeakPolarHBondContact O-CA 3.3Å; K176-N369 PolarHBondContact O-N 3.32Å; K176-K372 HydrophobicContact CB-CD 4.31Å
177	T	94	Very high	95.2	Very high	54 Å²	54	42.9 Å²	42.9	33%	0.331	22%	0.223	S	C	.	.	S	Bend	trans	-137.2	159.9	178.6	54.2	0	0	0	0	109	Q310	T177-Q310 HydrophobicContact CG2-CG 4.44Å
178	I	94.5	Very high	95	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-107.4	140.7	175.1	-69.4	-164.7	0	0	0	109.6	F109 F144 I146 L305 Q310	F109-I178 HydrophobicContact CE1-CD1 3.65Å; F109-I178 HydrophobicContact CE1-CG1 3.87Å; F109-I178 HydrophobicContact CE2-CD1 4.21Å; F109-I178 HydrophobicContact CZ-CD1 3.25Å; F109-I178 HydrophobicContact CZ-CG1 4Å; F144-I178 HydrophobicContact CB-CG2 3.76Å; F144-I178 HydrophobicContact CD1-CG2 3.61Å; F144-I178 HydrophobicContact CG-CG2 4.12Å; I146-I178 HydrophobicContact CD1-CD1 3.91Å; I146-I178 HydrophobicContact CG1-CD1 4.46Å; I178-L305 HydrophobicContact CD1-CD2 3.44Å; I178-L305 VanDerWaalsContact CD1-CD2 3.44Å; I178-Q310 PolarHBondContact O-N 3.48Å
179	K	94.5	Very high	94.9	Very high	130 Å²	130	51.5 Å²	51.5	57%	0.565	26%	0.262	S	S	*	.			trans	-77.3	138.6	179.4	-63.5	-178.2	-179.3	178.1	0	110.4	F144	F144-K179 WeakPolarHBondContact CD1-O 3.43Å; F144-K179 PolarHBondContact O-N 2.9Å
180	P	95.6	Very high	94.7	Very high	35 Å²	35	55.3 Å²	55.3	23%	0.227	28%	0.277	C	S	.	.			trans	-63.6	155.1	167.5	30.9	-36.2	0	0	0	110.3	D312 S314	P180-D312 HydrophobicContact CB-CB 4.13Å; P180-D312 HydrophobicContact CG-CB 3.94Å; P180-S314 VanDerWaalsContact CA-OG 3.27Å; P180-S314 WeakPolarHBondContact CA-OG 3.32Å; P180-S314 WeakPolarHBondContact CB-OG 3.4Å
181	V	96.7	Very high	94.7	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.055	29%	0.29	C	S	.	.			trans	-129.4	150.3	-177.6	-61.3	0	0	0	0	112.2	K143 F144 L183 M306 S314 K315 V316	K143-V181 WeakPolarHBondContact O-CG1 3.37Å; F144-V181 HydrophobicContact CD1-CG1 3.66Å; F144-V181 HydrophobicContact CD1-CG2 4.3Å; F144-V181 HydrophobicContact CD2-CG1 4.27Å; F144-V181 HydrophobicContact CE1-CB 4.27Å; F144-V181 HydrophobicContact CE1-CG1 3.75Å; F144-V181 HydrophobicContact CE1-CG2 3.51Å; F144-V181 HydrophobicContact CE2-CG1 4.33Å; F144-V181 HydrophobicContact CE2-CG2 4.19Å; F144-V181 HydrophobicContact CG-CG1 3.94Å; F144-V181 HydrophobicContact CZ-CB 4.42Å; F144-V181 HydrophobicContact CZ-CG1 4.09Å; F144-V181 HydrophobicContact CZ-CG2 3.44Å; F144-V181 VanDerWaalsContact CZ-CG2 3.44Å; V181-L183 HydrophobicContact CB-CG 4.15Å; V181-L183 HydrophobicContact CG2-CD1 4.26Å; V181-L183 HydrophobicContact CG2-CG 4.16Å; V181-M306 HydrophobicContact CG2-CG 4.44Å; V181-S314 PolarHBondContact N-OG 3.16Å; V181-S314 CarbonylContact O-C 3.48Å; V181-S314 VanDerWaalsContact O-CA 3.28Å; V181-S314 WeakPolarHBondContact O-CA 3.23Å; V181-K315 PolarHBondContact O-N 3.37Å; V181-V316 HydrophobicContact CG2-CG2 3.86Å
182	Q	97	Very high	94.7	Very high	109 Å²	109	57.9 Å²	57.9	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	90.4	171.9	-62.1	-64.3	-30.2	0	0	107.9	V313	Q182-V313 PolarHBondContact NE2-O 3.46Å
183	L	95.9	Very high	94.7	Very high	23 Å²	23	60.4 Å²	60.4	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	66.7	-179.9	-53.7	-179.4	0	0	0	109.4	L140 K143 V181 C293 K315 V316 L317	L140-L183 HydrophobicContact CD1-CD1 4.33Å; K143-L183 HydrophobicContact CD-CD1 3.89Å; K143-L183 HydrophobicContact CD-CD2 3.76Å; V181-L183 HydrophobicContact CB-CG 4.15Å; V181-L183 HydrophobicContact CG2-CD1 4.26Å; V181-L183 HydrophobicContact CG2-CG 4.16Å; L183-C293 VanDerWaalsContact C-SG 3.59Å; L183-C293 HydrophobicContact CB-CB 3.85Å; L183-C293 PolarHBondContact O-SG 2.83Å; L183-K315 PolarHBondContact N-O 2.8Å; L183-V316 HydrophobicContact CB-CG1 4.4Å; L183-V316 HydrophobicContact CB-CG2 4.15Å; L183-V316 HydrophobicContact CD1-CG2 4.25Å; L183-V316 HydrophobicContact CG-CG2 4.39Å; L183-V316 CarbonylContact O-C 3.6Å; L183-V316 WeakPolarHBondContact O-CA 3.5Å; L183-L317 PolarHBondContact O-N 2.86Å
184	T	94.5	Very high	94.8	Very high	49 Å²	49	59.5 Å²	59.5	30%	0.301	29%	0.289	S	S	.	.			trans	-97	-18.7	-175.8	53.1	0	0	0	0	113.3	K315 L317 L359	T184-K315 HydrophobicContact CG2-CB 3.84Å; T184-K315 HydrophobicContact CG2-CD 4.39Å; T184-L317 WeakPolarHBondContact O-CD2 3.49Å; T184-L359 HydrophobicContact CG2-CD1 3.93Å
185	E	91.6	Very high	94.9	Very high	136 Å²	136	60.5 Å²	60.5	64%	0.636	30%	0.295	S	S	*	.			trans	-122.4	105.1	-173.8	-67.6	179.4	-168.8	0	0	110.7	G187 N252	E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å; E185-N252 PolarHBondContact O-ND2 3.21Å
186	P	90.1	Very high	95.1	Very high	29 Å²	29	57.3 Å²	57.3	19%	0.188	28%	0.283	C	S	.	.			trans	-68.9	-29.9	-178.1	25.4	-33	0	0	0	112.4	T250 G292	P186-T250 WeakPolarHBondContact O-CB 3.2Å; P186-T250 WeakPolarHBondContact O-CG2 3.47Å; P186-T250 PolarHBondContact O-OG1 3.29Å; P186-G292 WeakPolarHBondContact CB-O 3.31Å
187	G	91.1	Very high	95.3	Very high	35 Å²	35	52.3 Å²	52.3	36%	0.361	26%	0.261	S	S	.	.			trans	72.3	172.7	-175.8	0	0	0	0	0	113.3	E185	E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å
188	K	92.4	Very high	95.4	Very high	166 Å²	166	49.9 Å²	49.9	72%	0.722	25%	0.246	S	C	*	.			trans	-72.9	151.1	177.6	-64.7	-179.4	180	176.2	0	111	K190 T250 L251	K188-K190 PolarHBondContact O-N 3.21Å; K188-T250 CarbonylContact O-C 3.58Å; K188-T250 VanDerWaalsContact O-CA 3.24Å; K188-T250 WeakPolarHBondContact O-CA 3.44Å; K188-T250 WeakPolarHBondContact O-CB 3.38Å; K188-L251 HydrophobicContact CB-CD1 4.12Å; K188-L251 PolarHBondContact O-N 3.08Å
189	I	95.7	Very high	95.4	Very high	55 Å²	55	49.9 Å²	49.9	28%	0.282	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	122.4	170.3	-53.6	-49.2	0	0	0	108.7	L221 A248 T250 V288	I189-L221 HydrophobicContact CG2-CD2 4.28Å; I189-A248 HydrophobicContact CD1-CB 4.07Å; I189-A248 HydrophobicContact CG2-CB 4.09Å; I189-T250 HydrophobicContact CD1-CG2 3.79Å; I189-V288 HydrophobicContact CD1-CG1 4.26Å; I189-V288 HydrophobicContact CD1-CG2 4.26Å; I189-V288 HydrophobicContact CG1-CG1 4.1Å
190	K	95.6	Very high	95.5	Very high	99 Å²	99	50.1 Å²	50.1	43%	0.43	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-46.8	177.7	177	-174.5	175.2	-176.3	0	110.8	K188 E249 L251	K188-K190 PolarHBondContact O-N 3.21Å; K190-E249 WeakPolarHBondContact CB-O 3.29Å; K190-E249 PolarHBondContact N-O 2.84Å; K190-E249 IonicContact NZ-OE1 2.63Å; K190-E249 PolarHBondContact NZ-OE1 2.88Å; K190-L251 HydrophobicContact CB-CD2 3.88Å; K190-L251 HydrophobicContact CB-CG 4.24Å; K190-L251 HydrophobicContact CD-CD2 4.18Å; K190-L251 HydrophobicContact CG-CD2 3.95Å
191	R	97.5	Very high	95.4	Very high	70 Å²	70	50.5 Å²	50.5	26%	0.264	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	161.8	-172.2	66.4	-168.7	-174.1	178.1	-8.1	111.8	D223 E249	R191-D223 WeakPolarHBondContact CA-O 3.37Å; R191-D223 HydrophobicContact CB-CB 4.07Å; R191-D223 VanDerWaalsContact CB-OD2 3.28Å; R191-D223 WeakPolarHBondContact CB-OD2 3.46Å; R191-E249 HydrophobicContact CG-CB 4.06Å; R191-E249 IonicContact CZ-OE1 3.88Å; R191-E249 IonicContact CZ-OE2 3.64Å; R191-E249 PolarHBondContact N-O 2.82Å; R191-E249 VanDerWaalsContact NE-CD 3.32Å; R191-E249 IonicContact NE-OE1 2.72Å; R191-E249 PolarHBondContact NE-OE1 3.19Å; R191-E249 IonicContact NE-OE2 3.64Å; R191-E249 PolarHBondContact NE-OE2 3.03Å; R191-E249 IonicContact NH2-OE1 3.16Å; R191-E249 PolarHBondContact NH2-OE1 3.18Å; R191-E249 IonicContact NH2-OE2 3.48Å; R191-E249 PolarHBondContact NH2-OE2 3.18Å; R191-E249 PolarHBondContact O-N 2.82Å
192	I	98.4	Very high	95.3	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.4	171.3	-63.8	172	0	0	0	109.5	L217 L221 D223 I224 Y225 L246 V247 A248 L284	I192-L217 HydrophobicContact CD1-CB 4.46Å; I192-L217 HydrophobicContact CD1-CD1 4.09Å; I192-L217 HydrophobicContact CD1-CD2 3.94Å; I192-L217 HydrophobicContact CD1-CG 4.39Å; I192-L217 HydrophobicContact CG2-CD1 4.29Å; I192-L221 HydrophobicContact CD1-CD1 4.47Å; I192-L221 HydrophobicContact CD1-CD2 3.75Å; I192-L221 HydrophobicContact CD1-CG 4.4Å; I192-L221 HydrophobicContact CG1-CD1 4.16Å; I192-L221 HydrophobicContact CG1-CD2 4.15Å; I192-D223 PolarHBondContact N-O 3.49Å; I192-I224 HydrophobicContact CB-CG1 4.22Å; I192-I224 HydrophobicContact CB-CG2 4.29Å; I192-I224 HydrophobicContact CG2-CG2 4.3Å; I192-I224 WeakPolarHBondContact O-CA 3.27Å; I192-Y225 PolarHBondContact O-N 2.81Å; I192-L246 HydrophobicContact CG2-CD2 4.34Å; I192-V247 WeakPolarHBondContact CA-O 3.24Å; I192-A248 HydrophobicContact CG1-CB 4.28Å; I192-L284 HydrophobicContact CD1-CD2 3.83Å; I192-L284 HydrophobicContact CG1-CD2 4.18Å; I192-L284 HydrophobicContact CG2-CD2 3.97Å
193	R	97.9	Very high	95.2	Very high	55 Å²	55	50 Å²	50	21%	0.208	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.8	169.6	-62.8	-63.7	176.9	-95.3	9.3	109.5	D223 Y225 V247	R193-D223 IonicContact CZ-OD1 2.75Å; R193-D223 VanDerWaalsContact CZ-OD1 3.3Å; R193-D223 PolarHBondContact NH1-O 3.27Å; R193-D223 IonicContact NH1-OD1 3.15Å; R193-D223 PolarHBondContact NH1-OD1 3.23Å; R193-D223 IonicContact NH1-OD2 3.7Å; R193-D223 IonicContact NH2-OD1 2.82Å; R193-D223 PolarHBondContact NH2-OD1 3.12Å; R193-D223 IonicContact NH2-OD2 3.73Å; R193-Y225 CarbonylContact C-O 3.42Å; R193-Y225 VanDerWaalsContact CA-O 3.24Å; R193-Y225 WeakPolarHBondContact CA-O 3.32Å; R193-V247 PolarHBondContact N-O 2.83Å; R193-V247 PolarHBondContact O-N 3.42Å
194	G	97	Very high	95.1	Very high	4 Å²	4	54.9 Å²	54.9	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	170	174.8	0	0	0	0	0	113.3	Y225 I226 Y227 T245	G194-Y225 PolarHBondContact N-O 3.02Å; G194-Y225 VanDerWaalsContact N-O 3.14Å; G194-I226 CarbonylContact O-C 3.56Å; G194-I226 WeakPolarHBondContact O-CA 3.31Å; G194-Y227 WeakPolarHBondContact O-CD2 3.44Å; G194-Y227 PolarHBondContact O-N 3.22Å; G194-T245 CarbonylContact C-O 3.58Å; G194-T245 WeakPolarHBondContact CA-O 3.49Å
195	V	97.5	Very high	95.2	Very high	35 Å²	35	54 Å²	54	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.2	175.6	-177.6	0	0	0	0	108.1	Y227 D229 L244 T245	V195-Y227 CarbonylContact C-O 3.55Å; V195-Y227 WeakPolarHBondContact CA-O 3.28Å; V195-D229 HydrophobicContact CG1-CB 3.82Å; V195-L244 WeakPolarHBondContact O-CA 3.47Å; V195-T245 PolarHBondContact N-O 2.82Å; V195-T245 PolarHBondContact O-N 2.8Å
196	A	97.6	Very high	95.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	108.5	169.2	0	0	0	0	0	108.1	I209 V210 I226 Y227 T228 D229 G243 L244	A196-I209 HydrophobicContact CB-CG2 4.17Å; A196-V210 HydrophobicContact CB-CG2 3.79Å; A196-I226 HydrophobicContact CB-CG2 3.99Å; A196-Y227 PolarHBondContact N-O 3.35Å; A196-T228 CarbonylContact O-C 3.6Å; A196-T228 WeakPolarHBondContact O-CA 3.39Å; A196-D229 PolarHBondContact O-N 3.46Å; A196-G243 CarbonylContact C-O 3.54Å; A196-G243 WeakPolarHBondContact CA-O 3.08Å; A196-L244 HydrophobicContact CB-CD1 3.89Å
197	Y	95.9	Very high	95.7	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	151.5	-179	65.3	-93.5	0	0	0	111.9	N123 M160 D229 F242 G243 S261	N123-Y197 HydrophobicContact CB-CE2 4.32Å; N123-Y197 VanDerWaalsContact CB-OH 3.23Å; N123-Y197 WeakPolarHBondContact CB-OH 3.38Å; N123-Y197 VanDerWaalsContact ND2-CE1 3.32Å; N123-Y197 WeakPolarHBondContact ND2-CE1 3.33Å; N123-Y197 PolarHBondContact ND2-OH 2.8Å; M160-Y197 HydrophobicContact CE-CE2 4.06Å; M160-Y197 HydrophobicContact SD-CE2 3.7Å; Y197-D229 CarbonylContact C-O 3.54Å; Y197-D229 WeakPolarHBondContact CA-O 3.32Å; Y197-F242 WeakPolarHBondContact O-CA 3.41Å; Y197-F242 VanDerWaalsContact O-CB 3.31Å; Y197-F242 WeakPolarHBondContact O-CB 3.44Å; Y197-G243 VanDerWaalsContact CZ-CA 3.47Å; Y197-G243 PolarHBondContact N-O 3.4Å; Y197-G243 PolarHBondContact O-N 2.92Å; Y197-S261 PolarHBondContact OH-OG 2.95Å
198	S	95.8	Very high	96	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	134.8	173.3	58.2	0	0	0	0	111.3	D229 H230 M231	S198-D229 PolarHBondContact N-O 3.33Å; S198-H230 WeakPolarHBondContact O-CA 3.13Å; S198-H230 PolarHBondContact O-ND1 3.27Å; S198-H230 PolarHBondContact OG-ND1 2.74Å; S198-M231 PolarHBondContact O-N 2.63Å
199	V	95.9	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.8	-180	-65.3	0	0	0	0	111.1	R158 M160 V201 M231 P240 G241	R158-V199 HydrophobicContact CB-CG1 3.61Å; M160-V199 HydrophobicContact CG-CG2 3.37Å; M160-V199 HydrophobicContact SD-CG2 4.29Å; V199-V201 PolarHBondContact O-N 3.18Å; V199-M231 HydrophobicContact CG1-CB 4.05Å; V199-P240 WeakPolarHBondContact O-CA 3.43Å; V199-G241 PolarHBondContact N-O 2.76Å; V199-G241 PolarHBondContact O-N 3.1Å
200	R	94.9	Very high	96.4	Very high	136 Å²	136	43.3 Å²	43.3	51%	0.513	21%	0.208	S	C	.	.	S	Bend	trans	49	26.5	-177.9	-56.9	179.1	164.4	-105.4	-1.2	114.5	S236 G237 P240	R200-S236 WeakPolarHBondContact CG-OG 3.32Å; R200-G237 PolarHBondContact NE-O 2.91Å; R200-G237 PolarHBondContact NH2-O 2.8Å; R200-P240 HydrophobicContact CB-CB 4.09Å
201	V	94.4	Very high	96.5	Very high	42 Å²	42	45.5 Å²	45.5	26%	0.255	22%	0.22	S	C	.	.	S	Bend	trans	-132.9	170.8	172.4	-61.8	0	0	0	0	108.8	V199 M205 H230 P240 F242	V199-V201 PolarHBondContact O-N 3.18Å; V201-M205 HydrophobicContact CB-CG 4.14Å; V201-M205 HydrophobicContact CG2-CB 4.23Å; V201-M205 HydrophobicContact CG2-CG 3.84Å; V201-H230 PolarHBondContact O-CE1 2.75Å; V201-P240 HydrophobicContact CG1-CB 3.71Å; V201-F242 HydrophobicContact CG2-CD1 4.4Å
202	S	94.6	Very high	96.5	Very high	48 Å²	48	42.5 Å²	42.5	34%	0.336	21%	0.21	S	C	.	.			trans	-60.3	138.3	177	176.1	0	0	0	0	111.3	Q204 M205	S202-Q204 PolarHBondContact O-N 2.85Å; S202-Q204 VanDerWaalsContact O-N 3.09Å; S202-Q204 WeakPolarHBondContact OG-CB 3.35Å; S202-Q204 PolarHBondContact OG-N 3.5Å; S202-M205 WeakPolarHBondContact O-CB 3.38Å; S202-M205 VanDerWaalsContact O-CG 3.3Å; S202-M205 WeakPolarHBondContact O-CG 3.4Å; S202-M205 PolarHBondContact O-N 3.5Å
203	P	94.4	Very high	96.5	Very high	61 Å²	61	42.3 Å²	42.3	40%	0.396	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.1	172.9	25.8	-34.9	0	0	0	112.6	M205 G206 H230	P203-M205 PolarHBondContact O-N 2.88Å; P203-G206 PolarHBondContact O-N 3.43Å; P203-G206 VanDerWaalsContact O-N 3.13Å; P203-H230 HydrophobicContact CB-CB 4.34Å
204	Q	95.3	Very high	96.5	Very high	125 Å²	125	43.5 Å²	43.5	58%	0.584	21%	0.213	S	C	*	.	H	α-helix	trans	-59.9	-24.2	173.5	-66.8	176.6	-29	0	0	112.7	S202 G206 N207 R208	S202-Q204 PolarHBondContact O-N 2.85Å; S202-Q204 VanDerWaalsContact O-N 3.09Å; S202-Q204 WeakPolarHBondContact OG-CB 3.35Å; S202-Q204 PolarHBondContact OG-N 3.5Å; Q204-G206 VanDerWaalsContact C-N 3.32Å; Q204-G206 PolarHBondContact O-N 3.48Å; Q204-N207 PolarHBondContact O-N 3.41Å; Q204-R208 VanDerWaalsContact O-CG 3.31Å; Q204-R208 WeakPolarHBondContact O-CG 3.45Å; Q204-R208 PolarHBondContact O-N 2.88Å
205	M	95.3	Very high	96.5	Very high	29 Å²	29	46 Å²	46	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-45	174.9	-61.8	-56.2	98.7	0	0	110.9	V201 S202 P203 N207 R208 I209 F242 P273	V201-M205 HydrophobicContact CB-CG 4.14Å; V201-M205 HydrophobicContact CG2-CB 4.23Å; V201-M205 HydrophobicContact CG2-CG 3.84Å; S202-M205 WeakPolarHBondContact O-CB 3.38Å; S202-M205 VanDerWaalsContact O-CG 3.3Å; S202-M205 WeakPolarHBondContact O-CG 3.4Å; S202-M205 PolarHBondContact O-N 3.5Å; P203-M205 PolarHBondContact O-N 2.88Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.99Å; M205-R208 VanDerWaalsContact CE-NH1 3.3Å; M205-R208 PolarHBondContact O-N 3.21Å; M205-I209 WeakPolarHBondContact O-CD1 3.46Å; M205-I209 VanDerWaalsContact O-CG1 3.22Å; M205-I209 WeakPolarHBondContact O-CG1 3.39Å; M205-I209 PolarHBondContact O-N 2.93Å; M205-I209 VanDerWaalsContact O-N 3.1Å; M205-F242 HydrophobicContact CB-CD1 4.5Å; M205-F242 HydrophobicContact CB-CG 4.45Å; M205-F242 HydrophobicContact CG-CD1 4.45Å; M205-P273 HydrophobicContact SD-CG 3.45Å; M205-P273 WeakPolarHBondContact SD-CG 3.42Å
206	G	95.6	Very high	96.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176.7	0	0	0	0	0	112.2	P203 Q204 R208 I209 V210	P203-G206 PolarHBondContact O-N 3.43Å; P203-G206 VanDerWaalsContact O-N 3.13Å; Q204-G206 VanDerWaalsContact C-N 3.32Å; Q204-G206 PolarHBondContact O-N 3.48Å; G206-R208 PolarHBondContact O-N 3.41Å; G206-I209 PolarHBondContact O-N 3.45Å; G206-V210 VanDerWaalsContact O-CG2 3.26Å; G206-V210 WeakPolarHBondContact O-CG2 3.2Å; G206-V210 PolarHBondContact O-N 3.05Å
207	N	96.9	Very high	96.5	Very high	93 Å²	93	45.5 Å²	45.5	50%	0.497	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-43.7	179.5	-65.4	-17.1	0	0	0	112.4	Q204 M205 I209 V210 E211	Q204-N207 PolarHBondContact O-N 3.41Å; M205-N207 VanDerWaalsContact C-N 3.34Å; M205-N207 PolarHBondContact O-N 2.99Å; N207-I209 VanDerWaalsContact C-N 3.34Å; N207-I209 PolarHBondContact O-N 3.38Å; N207-V210 PolarHBondContact O-N 2.72Å; N207-E211 PolarHBondContact O-N 2.74Å
208	R	97.9	Very high	96.5	Very high	82 Å²	82	49.2 Å²	49.2	31%	0.309	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-41.3	177.7	-69.6	166.6	65.9	-172.7	0	112	Q204 M205 G206 S212 P273 E274	Q204-R208 VanDerWaalsContact O-CG 3.31Å; Q204-R208 WeakPolarHBondContact O-CG 3.45Å; Q204-R208 PolarHBondContact O-N 2.88Å; M205-R208 VanDerWaalsContact CE-NH1 3.3Å; M205-R208 PolarHBondContact O-N 3.21Å; G206-R208 PolarHBondContact O-N 3.41Å; R208-S212 WeakPolarHBondContact O-CB 3.31Å; R208-S212 PolarHBondContact O-N 3.03Å; R208-S212 PolarHBondContact O-OG 3.37Å; R208-P273 HydrophobicContact CB-CB 3.96Å; R208-E274 IonicContact CZ-OE1 3.13Å; R208-E274 IonicContact CZ-OE2 3.52Å; R208-E274 IonicContact NE-OE1 2.66Å; R208-E274 PolarHBondContact NE-OE1 3.28Å; R208-E274 IonicContact NE-OE2 3.65Å; R208-E274 IonicContact NH2-OE1 2.81Å; R208-E274 PolarHBondContact NH2-OE1 3.49Å; R208-E274 IonicContact NH2-OE2 2.71Å; R208-E274 PolarHBondContact NH2-OE2 3.25Å
209	I	98.1	Very high	96.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-45.2	175.1	-67.9	162.8	0	0	0	110.9	A196 M205 G206 N207 S212 A213 F242 L244 P273 L276	A196-I209 HydrophobicContact CB-CG2 4.17Å; M205-I209 WeakPolarHBondContact O-CD1 3.46Å; M205-I209 VanDerWaalsContact O-CG1 3.22Å; M205-I209 WeakPolarHBondContact O-CG1 3.39Å; M205-I209 PolarHBondContact O-N 2.93Å; M205-I209 VanDerWaalsContact O-N 3.1Å; G206-I209 PolarHBondContact O-N 3.45Å; N207-I209 VanDerWaalsContact C-N 3.34Å; N207-I209 PolarHBondContact O-N 3.38Å; I209-S212 PolarHBondContact O-N 2.88Å; I209-S212 PolarHBondContact O-OG 3Å; I209-A213 VanDerWaalsContact O-CB 3.29Å; I209-A213 WeakPolarHBondContact O-CB 3.39Å; I209-A213 PolarHBondContact O-N 3.13Å; I209-F242 HydrophobicContact CD1-CB 4.16Å; I209-F242 HydrophobicContact CD1-CD2 3.52Å; I209-F242 HydrophobicContact CD1-CE2 4.31Å; I209-F242 HydrophobicContact CD1-CG 4.18Å; I209-F242 HydrophobicContact CG1-CD2 4.46Å; I209-L244 HydrophobicContact CG2-CB 3.74Å; I209-L244 HydrophobicContact CG2-CD1 4.03Å; I209-L244 HydrophobicContact CG2-CD2 3.74Å; I209-L244 HydrophobicContact CG2-CG 4.04Å; I209-P273 HydrophobicContact CG1-CB 3.85Å; I209-P273 WeakPolarHBondContact CG1-O 3.39Å; I209-L276 HydrophobicContact CD1-CD2 4.3Å; I209-L276 HydrophobicContact CG1-CD2 4.31Å; I209-L276 HydrophobicContact CG2-CD2 4.08Å
210	V	98.2	Very high	96.3	Very high	22 Å²	22	62.5 Å²	62.5	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-48.3	179.5	170.9	0	0	0	0	110.5	A196 G206 N207 A213 R214 I226 T228	A196-V210 HydrophobicContact CB-CG2 3.79Å; G206-V210 VanDerWaalsContact O-CG2 3.26Å; G206-V210 WeakPolarHBondContact O-CG2 3.2Å; G206-V210 PolarHBondContact O-N 3.05Å; N207-V210 PolarHBondContact O-N 2.72Å; V210-A213 PolarHBondContact O-N 2.75Å; V210-R214 HydrophobicContact CG1-CG 4.45Å; V210-R214 WeakPolarHBondContact O-CB 3.29Å; V210-R214 VanDerWaalsContact O-CG 3.25Å; V210-R214 WeakPolarHBondContact O-CG 3.46Å; V210-R214 PolarHBondContact O-N 2.9Å; V210-I226 HydrophobicContact CG1-CB 4.24Å; V210-I226 HydrophobicContact CG1-CD1 4.43Å; V210-I226 HydrophobicContact CG2-CB 3.99Å; V210-I226 HydrophobicContact CG2-CG2 3.72Å; V210-T228 HydrophobicContact CG2-CG2 3.95Å
211	E	97.8	Very high	96.3	Very high	145 Å²	145	57.6 Å²	57.6	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-61.2	-46.1	179.6	-174.1	175.7	-176.7	0	0	111.6	N207 R214 S215	N207-E211 PolarHBondContact O-N 2.74Å; E211-R214 PolarHBondContact O-N 3.49Å; E211-S215 PolarHBondContact O-N 3.49Å
212	S	97.9	Very high	96.2	Very high	7 Å²	7	61.1 Å²	61.1	5%	0.049	32%	0.315	C	S	.	.	H	α-helix	trans	-68.8	-38.4	-178.8	77.8	0	0	0	0	112.6	R208 I209 S215 E274 G277	R208-S212 WeakPolarHBondContact O-CB 3.31Å; R208-S212 PolarHBondContact O-N 3.03Å; R208-S212 PolarHBondContact O-OG 3.37Å; I209-S212 PolarHBondContact O-N 2.88Å; I209-S212 PolarHBondContact O-OG 3Å; S212-S215 PolarHBondContact O-N 2.85Å; S212-S215 PolarHBondContact O-OG 3Å; S212-E274 VanDerWaalsContact CB-O 3.26Å; S212-E274 WeakPolarHBondContact CB-O 3.24Å; S212-E274 WeakPolarHBondContact OG-CA 2.97Å; S212-E274 PolarHBondContact OG-O 3.18Å; S212-G277 VanDerWaalsContact OG-CA 3.27Å; S212-G277 WeakPolarHBondContact OG-CA 3.34Å
213	A	98.1	Very high	96.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-44.1	173	0	0	0	0	0	111.7	I209 V210 S215 V216 L217 I226 L244 G277 A281	I209-A213 VanDerWaalsContact O-CB 3.29Å; I209-A213 WeakPolarHBondContact O-CB 3.39Å; I209-A213 PolarHBondContact O-N 3.13Å; V210-A213 PolarHBondContact O-N 2.75Å; A213-S215 VanDerWaalsContact C-N 3.3Å; A213-S215 PolarHBondContact O-N 2.99Å; A213-V216 PolarHBondContact O-N 3.4Å; A213-L217 WeakPolarHBondContact O-CG 3.14Å; A213-L217 PolarHBondContact O-N 3.14Å; A213-L217 VanDerWaalsContact O-N 3.09Å; A213-I226 HydrophobicContact CB-CD1 3.96Å; A213-L244 HydrophobicContact CB-CD2 3.76Å; A213-G277 WeakPolarHBondContact CA-O 3.36Å; A213-A281 HydrophobicContact CB-CB 4.46Å
214	R	97.5	Very high	96.4	Very high	80 Å²	80	59.4 Å²	59.4	30%	0.302	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-33.9	177.1	-73.2	-176.9	74.8	111.3	15.5	112.6	V210 E211 V216 L217 N218 I224 I226	V210-R214 HydrophobicContact CG1-CG 4.45Å; V210-R214 WeakPolarHBondContact O-CB 3.29Å; V210-R214 VanDerWaalsContact O-CG 3.25Å; V210-R214 WeakPolarHBondContact O-CG 3.46Å; V210-R214 PolarHBondContact O-N 2.9Å; E211-R214 PolarHBondContact O-N 3.49Å; R214-V216 PolarHBondContact O-N 2.87Å; R214-L217 PolarHBondContact O-N 3.02Å; R214-N218 PolarHBondContact NH2-OD1 2.68Å; R214-N218 WeakPolarHBondContact O-CB 3.41Å; R214-N218 PolarHBondContact O-N 2.78Å; R214-N218 PolarHBondContact O-ND2 2.82Å; R214-I224 HydrophobicContact CG-CG2 4.33Å; R214-I224 PolarHBondContact NH1-O 2.86Å; R214-I226 HydrophobicContact CG-CD1 4.37Å
215	S	96.8	Very high	96.6	Very high	58 Å²	58	59.1 Å²	59.1	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-57.7	-30	177.5	78.1	0	0	0	0	113.1	E211 S212 A213 Q219	E211-S215 PolarHBondContact O-N 3.49Å; S212-S215 PolarHBondContact O-N 2.85Å; S212-S215 PolarHBondContact O-OG 3Å; A213-S215 VanDerWaalsContact C-N 3.3Å; A213-S215 PolarHBondContact O-N 2.99Å; S215-Q219 PolarHBondContact O-NE2 3.3Å
216	V	97.6	Very high	96.7	Very high	23 Å²	23	58.4 Å²	58.4	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-86.3	-50.1	175.2	-178.6	0	0	0	0	110.6	A213 R214 R278 A281 L285	A213-V216 PolarHBondContact O-N 3.4Å; R214-V216 PolarHBondContact O-N 2.87Å; V216-R278 HydrophobicContact CG2-CB 4.34Å; V216-R278 HydrophobicContact CG2-CG 4.11Å; V216-A281 HydrophobicContact CB-CB 3.92Å; V216-A281 HydrophobicContact CG1-CB 4.08Å; V216-A281 HydrophobicContact CG2-CB 4.38Å; V216-L285 HydrophobicContact CG1-CD1 3.98Å
217	L	97.1	Very high	96.8	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-76.1	-29.4	-168.4	-63.7	173.4	0	0	0	114.4	I192 A213 R214 Q219 F220 L221 I224 L246 A281 L284 L285	I192-L217 HydrophobicContact CD1-CB 4.46Å; I192-L217 HydrophobicContact CD1-CD1 4.09Å; I192-L217 HydrophobicContact CD1-CD2 3.94Å; I192-L217 HydrophobicContact CD1-CG 4.39Å; I192-L217 HydrophobicContact CG2-CD1 4.29Å; A213-L217 WeakPolarHBondContact O-CG 3.14Å; A213-L217 PolarHBondContact O-N 3.14Å; A213-L217 VanDerWaalsContact O-N 3.09Å; R214-L217 PolarHBondContact O-N 3.02Å; L217-Q219 PolarHBondContact O-N 2.75Å; L217-F220 PolarHBondContact O-N 3.47Å; L217-L221 PolarHBondContact O-N 3.1Å; L217-I224 VanDerWaalsContact C-CD1 3.45Å; L217-I224 HydrophobicContact CB-CD1 3.42Å; L217-I224 VanDerWaalsContact CB-CD1 3.42Å; L217-I224 HydrophobicContact CD1-CG2 4.5Å; L217-L246 HydrophobicContact CD1-CD1 3.99Å; L217-L246 HydrophobicContact CD1-CD2 4.41Å; L217-A281 HydrophobicContact CD1-CB 4.23Å; L217-A281 HydrophobicContact CD2-CB 4.03Å; L217-A281 HydrophobicContact CG-CB 3.85Å; L217-L284 HydrophobicContact CD2-CD2 4.49Å; L217-L285 HydrophobicContact CD2-CD2 4.21Å; L217-L285 HydrophobicContact CD2-CG 4.22Å
218	N	95.7	Very high	96.8	Very high	79 Å²	79	63.5 Å²	63.5	42%	0.422	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.5	-179.7	-78.5	-21.4	0	0	0	112.9	R214 F220	R214-N218 PolarHBondContact NH2-OD1 2.68Å; R214-N218 WeakPolarHBondContact O-CB 3.41Å; R214-N218 PolarHBondContact O-N 2.78Å; R214-N218 PolarHBondContact O-ND2 2.82Å; N218-F220 PolarHBondContact O-N 3.09Å
219	Q	94.9	Very high	96.6	Very high	152 Å²	152	61.7 Å²	61.7	71%	0.71	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.3	177	-57.8	177.1	34.3	0	0	112.5	S215 L217	S215-Q219 PolarHBondContact O-NE2 3.3Å; L217-Q219 PolarHBondContact O-N 2.75Å
220	F	93.3	Very high	96.5	Very high	129 Å²	129	64.2 Å²	64.2	57%	0.566	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-39.8	-173.6	-59.2	-82.6	0	0	0	113.2	L217 N218 L285	L217-F220 PolarHBondContact O-N 3.47Å; N218-F220 PolarHBondContact O-N 3.09Å; F220-L285 HydrophobicContact CD2-CD1 4.3Å; F220-L285 HydrophobicContact CD2-CD2 4.07Å; F220-L285 HydrophobicContact CE2-CD1 3.61Å; F220-L285 HydrophobicContact CE2-CD2 4.09Å; F220-L285 HydrophobicContact CG-CD2 4.43Å; F220-L285 HydrophobicContact CZ-CD1 4.02Å; F220-L285 HydrophobicContact CZ-CD2 4.45Å
221	L	94.1	Very high	96.3	Very high	32 Å²	32	64.5 Å²	64.5	17%	0.168	32%	0.319	C	S	.	.			trans	-153.3	151	175	62.2	134.4	0	0	0	112.7	I189 I192 L217 D223 I224	I189-L221 HydrophobicContact CG2-CD2 4.28Å; I192-L221 HydrophobicContact CD1-CD1 4.47Å; I192-L221 HydrophobicContact CD1-CD2 3.75Å; I192-L221 HydrophobicContact CD1-CG 4.4Å; I192-L221 HydrophobicContact CG1-CD1 4.16Å; I192-L221 HydrophobicContact CG1-CD2 4.15Å; L217-L221 PolarHBondContact O-N 3.1Å; L221-D223 WeakPolarHBondContact CD1-O 3.33Å; L221-I224 HydrophobicContact CD1-CG1 4.1Å; L221-I224 HydrophobicContact CG-CD1 4.43Å; L221-I224 HydrophobicContact CG-CG1 4.15Å; L221-I224 WeakPolarHBondContact O-CD1 3.2Å
222	P	93.3	Very high	96.1	Very high	117 Å²	117	64.7 Å²	64.7	76%	0.76	32%	0.318	S	S	*	.	S	Bend	trans	-84.3	-29.3	-180	31.2	-34.7	0	0	0	114.4	I224	P222-I224 VanDerWaalsContact C-N 3.29Å; P222-I224 PolarHBondContact O-N 2.84Å
223	D	96.6	Very high	95.8	Very high	66 Å²	66	66.9 Å²	66.9	35%	0.353	34%	0.342	S	S	.	.			trans	-79.5	75.6	-177	-174	0.8	0	0	0	111.6	R191 I192 R193 L221	R191-D223 WeakPolarHBondContact CA-O 3.37Å; R191-D223 HydrophobicContact CB-CB 4.07Å; R191-D223 VanDerWaalsContact CB-OD2 3.28Å; R191-D223 WeakPolarHBondContact CB-OD2 3.46Å; I192-D223 PolarHBondContact N-O 3.49Å; R193-D223 IonicContact CZ-OD1 2.75Å; R193-D223 VanDerWaalsContact CZ-OD1 3.3Å; R193-D223 PolarHBondContact NH1-O 3.27Å; R193-D223 IonicContact NH1-OD1 3.15Å; R193-D223 PolarHBondContact NH1-OD1 3.23Å; R193-D223 IonicContact NH1-OD2 3.7Å; R193-D223 IonicContact NH2-OD1 2.82Å; R193-D223 PolarHBondContact NH2-OD1 3.12Å; R193-D223 IonicContact NH2-OD2 3.73Å; L221-D223 WeakPolarHBondContact CD1-O 3.33Å
224	I	97.6	Very high	95.6	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.6	178.2	-55.2	166.4	0	0	0	108.6	I192 R214 L217 L221 P222 I226	I192-I224 HydrophobicContact CB-CG1 4.22Å; I192-I224 HydrophobicContact CB-CG2 4.29Å; I192-I224 HydrophobicContact CG2-CG2 4.3Å; I192-I224 WeakPolarHBondContact O-CA 3.27Å; R214-I224 HydrophobicContact CG-CG2 4.33Å; R214-I224 PolarHBondContact NH1-O 2.86Å; L217-I224 VanDerWaalsContact C-CD1 3.45Å; L217-I224 HydrophobicContact CB-CD1 3.42Å; L217-I224 VanDerWaalsContact CB-CD1 3.42Å; L217-I224 HydrophobicContact CD1-CG2 4.5Å; L221-I224 HydrophobicContact CD1-CG1 4.1Å; L221-I224 HydrophobicContact CG-CD1 4.43Å; L221-I224 HydrophobicContact CG-CG1 4.15Å; L221-I224 WeakPolarHBondContact O-CD1 3.2Å; P222-I224 VanDerWaalsContact C-N 3.29Å; P222-I224 PolarHBondContact O-N 2.84Å; I224-I226 HydrophobicContact CG2-CD1 4.44Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å
225	Y	97.6	Very high	95.5	Very high	119 Å²	119	72.1 Å²	72.1	47%	0.467	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	114.1	177.2	-168	-82.2	0	0	0	111.2	I192 R193 G194 Y227	I192-Y225 PolarHBondContact O-N 2.81Å; R193-Y225 CarbonylContact C-O 3.42Å; R193-Y225 VanDerWaalsContact CA-O 3.24Å; R193-Y225 WeakPolarHBondContact CA-O 3.32Å; G194-Y225 PolarHBondContact N-O 3.02Å; G194-Y225 VanDerWaalsContact N-O 3.14Å; Y225-Y227 HydrophobicContact CD1-CD1 4.24Å; Y225-Y227 AromaticContact CD1-CD2 3.87Å; Y225-Y227 HydrophobicContact CD1-CD2 3.87Å; Y225-Y227 AromaticContact CD1-CE1 3.94Å; Y225-Y227 HydrophobicContact CD1-CE1 3.94Å; Y225-Y227 AromaticContact CD1-CE2 3.54Å; Y225-Y227 HydrophobicContact CD1-CE2 3.54Å; Y225-Y227 HydrophobicContact CD1-CG 4.17Å; Y225-Y227 AromaticContact CD1-CZ 3.55Å; Y225-Y227 AromaticContact CE1-CD1 3.47Å; Y225-Y227 HydrophobicContact CE1-CD1 3.47Å; Y225-Y227 VanDerWaalsContact CE1-CD1 3.47Å; Y225-Y227 AromaticContact CE1-CD2 3.93Å; Y225-Y227 HydrophobicContact CE1-CD2 3.93Å; Y225-Y227 AromaticContact CE1-CE1 3.29Å; Y225-Y227 HydrophobicContact CE1-CE1 3.29Å; Y225-Y227 AromaticContact CE1-CE2 3.77Å; Y225-Y227 HydrophobicContact CE1-CE2 3.77Å; Y225-Y227 AromaticContact CE1-CG 3.76Å; Y225-Y227 HydrophobicContact CE1-CG 3.76Å; Y225-Y227 AromaticContact CE1-CZ 3.42Å; Y225-Y227 VanDerWaalsContact CE1-CZ 3.42Å
226	I	98	Very high	95.4	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.6	179.9	-54.3	169.8	0	0	0	107.7	G194 A196 V210 A213 R214 I224 L244 L246	G194-I226 CarbonylContact O-C 3.56Å; G194-I226 WeakPolarHBondContact O-CA 3.31Å; A196-I226 HydrophobicContact CB-CG2 3.99Å; V210-I226 HydrophobicContact CG1-CB 4.24Å; V210-I226 HydrophobicContact CG1-CD1 4.43Å; V210-I226 HydrophobicContact CG2-CB 3.99Å; V210-I226 HydrophobicContact CG2-CG2 3.72Å; A213-I226 HydrophobicContact CB-CD1 3.96Å; R214-I226 HydrophobicContact CG-CD1 4.37Å; I224-I226 HydrophobicContact CG2-CD1 4.44Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å; I226-L244 HydrophobicContact CG2-CD1 3.69Å; I226-L246 HydrophobicContact CD1-CD2 3.69Å; I226-L246 HydrophobicContact CG1-CD2 3.91Å
227	Y	97.1	Very high	95.2	Very high	124 Å²	124	68.7 Å²	68.7	49%	0.486	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	137.8	176	-62.8	-93.3	0	0	0	109.6	G194 V195 A196 Y225	G194-Y227 WeakPolarHBondContact O-CD2 3.44Å; G194-Y227 PolarHBondContact O-N 3.22Å; V195-Y227 CarbonylContact C-O 3.55Å; V195-Y227 WeakPolarHBondContact CA-O 3.28Å; A196-Y227 PolarHBondContact N-O 3.35Å; Y225-Y227 HydrophobicContact CD1-CD1 4.24Å; Y225-Y227 AromaticContact CD1-CD2 3.87Å; Y225-Y227 HydrophobicContact CD1-CD2 3.87Å; Y225-Y227 AromaticContact CD1-CE1 3.94Å; Y225-Y227 HydrophobicContact CD1-CE1 3.94Å; Y225-Y227 AromaticContact CD1-CE2 3.54Å; Y225-Y227 HydrophobicContact CD1-CE2 3.54Å; Y225-Y227 HydrophobicContact CD1-CG 4.17Å; Y225-Y227 AromaticContact CD1-CZ 3.55Å; Y225-Y227 AromaticContact CE1-CD1 3.47Å; Y225-Y227 HydrophobicContact CE1-CD1 3.47Å; Y225-Y227 VanDerWaalsContact CE1-CD1 3.47Å; Y225-Y227 AromaticContact CE1-CD2 3.93Å; Y225-Y227 HydrophobicContact CE1-CD2 3.93Å; Y225-Y227 AromaticContact CE1-CE1 3.29Å; Y225-Y227 HydrophobicContact CE1-CE1 3.29Å; Y225-Y227 AromaticContact CE1-CE2 3.77Å; Y225-Y227 HydrophobicContact CE1-CE2 3.77Å; Y225-Y227 AromaticContact CE1-CG 3.76Å; Y225-Y227 HydrophobicContact CE1-CG 3.76Å; Y225-Y227 AromaticContact CE1-CZ 3.42Å; Y225-Y227 VanDerWaalsContact CE1-CZ 3.42Å
228	T	96.8	Very high	95.1	Very high	78 Å²	78	75.6 Å²	75.6	48%	0.479	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.4	169.4	53.9	0	0	0	0	109.8	A196 V210	A196-T228 CarbonylContact O-C 3.6Å; A196-T228 WeakPolarHBondContact O-CA 3.39Å; V210-T228 HydrophobicContact CG2-CG2 3.95Å
229	D	95.3	Very high	95.1	Very high	44 Å²	44	72 Å²	72	24%	0.235	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	90.9	178.1	-176.2	13.7	0	0	0	110.3	R158 V195 A196 Y197 S198	R158-D229 IonicContact CZ-OD2 2.69Å; R158-D229 IonicContact NE-OD2 3.67Å; R158-D229 PolarHBondContact NE-OD2 3.3Å; R158-D229 IonicContact NH2-OD2 2.76Å; R158-D229 PolarHBondContact NH2-OD2 3.27Å; V195-D229 HydrophobicContact CG1-CB 3.82Å; A196-D229 PolarHBondContact O-N 3.46Å; Y197-D229 CarbonylContact C-O 3.54Å; Y197-D229 WeakPolarHBondContact CA-O 3.32Å; S198-D229 PolarHBondContact N-O 3.33Å
230	H	95.9	Very high	95	Very high	52 Å²	52	66.5 Å²	66.5	24%	0.241	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.6	178.5	-179.9	69.7	0	0	0	110.7	S198 V201 P203 K232	S198-H230 WeakPolarHBondContact O-CA 3.13Å; S198-H230 PolarHBondContact O-ND1 3.27Å; S198-H230 PolarHBondContact OG-ND1 2.74Å; V201-H230 PolarHBondContact O-CE1 2.75Å; P203-H230 HydrophobicContact CB-CB 4.34Å; H230-K232 VanDerWaalsContact CD2-CE 3.41Å; H230-K232 WeakPolarHBondContact CD2-CE 3.38Å; H230-K232 WeakPolarHBondContact NE2-CE 3.4Å; H230-K232 VanDerWaalsContact NE2-CG 3.33Å; H230-K232 WeakPolarHBondContact NE2-CG 3.43Å
231	M	93.8	Very high	95.1	Very high	28 Å²	28	60.5 Å²	60.5	14%	0.138	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.3	177.1	-64.3	-170.2	153.2	0	0	111.6	R158 S198 V199 N235 S236	R158-M231 HydrophobicContact CB-SD 3.88Å; R158-M231 HydrophobicContact CG-SD 3.72Å; R158-M231 PolarHBondContact N-SD 2.99Å; S198-M231 PolarHBondContact O-N 2.63Å; V199-M231 HydrophobicContact CG1-CB 4.05Å; M231-N235 HydrophobicContact CB-CB 4.41Å; M231-N235 HydrophobicContact SD-CB 4.29Å; M231-S236 VanDerWaalsContact O-CB 3.22Å; M231-S236 WeakPolarHBondContact O-CB 3.31Å
232	K	92.6	Very high	95.2	Very high	149 Å²	149	60 Å²	60	65%	0.648	32%	0.318	S	S	*	.			trans	-120.8	163.2	179.7	-63.9	-175.7	-177.3	-179.7	0	112	H230 N235	H230-K232 VanDerWaalsContact CD2-CE 3.41Å; H230-K232 WeakPolarHBondContact CD2-CE 3.38Å; H230-K232 WeakPolarHBondContact NE2-CE 3.4Å; H230-K232 VanDerWaalsContact NE2-CG 3.33Å; H230-K232 WeakPolarHBondContact NE2-CG 3.43Å; K232-N235 PolarHBondContact O-N 3.31Å
233	G	93	Very high	95.3	Very high	53 Å²	53	54.5 Å²	54.5	55%	0.546	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	60.3	-136.2	173.3	0	0	0	0	0	112.6	N235 S236	G233-N235 PolarHBondContact O-N 2.89Å; G233-S236 PolarHBondContact O-N 2.89Å; G233-S236 PolarHBondContact O-OG 2.8Å
234	T	92.8	Very high	95.3	Very high	119 Å²	119	51.3 Å²	51.3	73%	0.73	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-65.3	-22.8	-178	51.4	0	0	0	0	113.7	S236	T234-S236 VanDerWaalsContact C-N 3.27Å; T234-S236 PolarHBondContact O-N 2.88Å
235	N	95.2	Very high	95.3	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.3	-9	179	-64.4	-16.4	0	0	0	113.4	K157 R158 M231 K232 G233	K157-N235 WeakPolarHBondContact CA-O 3.28Å; K157-N235 HydrophobicContact CG-CB 4.41Å; R158-N235 PolarHBondContact N-O 2.79Å; M231-N235 HydrophobicContact CB-CB 4.41Å; M231-N235 HydrophobicContact SD-CB 4.29Å; K232-N235 PolarHBondContact O-N 3.31Å; G233-N235 PolarHBondContact O-N 2.89Å
236	S	94.8	Very high	95.4	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-94	13.5	-178.1	72.3	0	0	0	0	114.1	R158 R200 M231 G233 T234	R158-S236 CarbonylContact O-C 3.14Å; R200-S236 WeakPolarHBondContact CG-OG 3.32Å; M231-S236 VanDerWaalsContact O-CB 3.22Å; M231-S236 WeakPolarHBondContact O-CB 3.31Å; G233-S236 PolarHBondContact O-N 2.89Å; G233-S236 PolarHBondContact O-OG 2.8Å; T234-S236 VanDerWaalsContact C-N 3.27Å; T234-S236 PolarHBondContact O-N 2.88Å
237	G	94.4	Very high	95.4	Very high	6 Å²	6	45.4 Å²	45.4	6%	0.062	24%	0.242	C	C	.	.			trans	63.1	-148.6	178.5	0	0	0	0	0	111.9	R158 G164 R200	R158-G237 WeakPolarHBondContact O-CA 3.48Å; R158-G237 PolarHBondContact O-N 2.84Å; G164-G237 WeakPolarHBondContact O-CA 3.28Å; R200-G237 PolarHBondContact NE-O 2.91Å; R200-G237 PolarHBondContact NH2-O 2.8Å
238	K	94.8	Very high	95.4	Very high	145 Å²	145	39.6 Å²	39.6	63%	0.63	22%	0.22	S	C	*	.	S	Bend	trans	-115.9	-14.1	-173.6	-60.9	-175.9	-172.3	171.2	0	114.9	G163 G164	G163-K238 WeakPolarHBondContact O-CD 3.34Å; G164-K238 PolarHBondContact O-N 3.38Å
239	S	94.5	Very high	95.5	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	20%	0.203	C	C	.	.	S	Bend	trans	-128.9	147.9	-176.7	-64.1	0	0	0	0	111.8	M160 G163	M160-S239 WeakPolarHBondContact O-CB 3.47Å; G163-S239 WeakPolarHBondContact CA-OG 3.38Å; G163-S239 PolarHBondContact N-OG 3.11Å
240	P	94.3	Very high	95.5	Very high	36 Å²	36	35.1 Å²	35.1	23%	0.234	19%	0.192	C	C	.	.			trans	-71.7	150.4	175.6	32.3	-34.2	0	0	0	111.8	V199 R200 V201 Q265	V199-P240 WeakPolarHBondContact O-CA 3.43Å; R200-P240 HydrophobicContact CB-CB 4.09Å; V201-P240 HydrophobicContact CG1-CB 3.71Å; P240-Q265 HydrophobicContact CG-CB 4.25Å; P240-Q265 HydrophobicContact CG-CG 4.31Å
241	G	94.4	Very high	95.4	Very high	3 Å²	3	38 Å²	38	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	167.7	171.2	0	0	0	0	0	112.3	V199 S262	V199-G241 PolarHBondContact N-O 2.76Å; V199-G241 PolarHBondContact O-N 3.1Å; G241-S262 WeakPolarHBondContact CA-OG 3.35Å
242	F	95.7	Very high	95.4	Very high	22 Å²	22	40.5 Å²	40.5	10%	0.096	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.7	178.8	55.4	-92.2	0	0	0	109.4	Y197 V201 M205 I209 S262 V271 P273 L276	Y197-F242 WeakPolarHBondContact O-CA 3.41Å; Y197-F242 VanDerWaalsContact O-CB 3.31Å; Y197-F242 WeakPolarHBondContact O-CB 3.44Å; V201-F242 HydrophobicContact CG2-CD1 4.4Å; M205-F242 HydrophobicContact CB-CD1 4.5Å; M205-F242 HydrophobicContact CB-CG 4.45Å; M205-F242 HydrophobicContact CG-CD1 4.45Å; I209-F242 HydrophobicContact CD1-CB 4.16Å; I209-F242 HydrophobicContact CD1-CD2 3.52Å; I209-F242 HydrophobicContact CD1-CE2 4.31Å; I209-F242 HydrophobicContact CD1-CG 4.18Å; I209-F242 HydrophobicContact CG1-CD2 4.46Å; F242-S262 PolarHBondContact N-OG 3.31Å; F242-S262 VanDerWaalsContact N-OG 3.07Å; F242-S262 VanDerWaalsContact O-CB 3.31Å; F242-S262 WeakPolarHBondContact O-CB 3.32Å; F242-S262 PolarHBondContact O-N 2.98Å; F242-S262 PolarHBondContact O-OG 3.43Å; F242-S262 VanDerWaalsContact O-OG 3.12Å; F242-V271 WeakPolarHBondContact CZ-O 3.27Å; F242-P273 HydrophobicContact CE2-CB 4.36Å; F242-P273 HydrophobicContact CE2-CG 4.11Å; F242-P273 HydrophobicContact CZ-CG 3.99Å; F242-L276 HydrophobicContact CD2-CD1 3.88Å; F242-L276 HydrophobicContact CE2-CB 4.49Å; F242-L276 HydrophobicContact CE2-CD1 3.76Å
243	G	95.9	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	178.8	178.4	0	0	0	0	0	111.9	A196 Y197 M260	A196-G243 CarbonylContact C-O 3.54Å; A196-G243 WeakPolarHBondContact CA-O 3.08Å; Y197-G243 VanDerWaalsContact CZ-CA 3.47Å; Y197-G243 PolarHBondContact N-O 3.4Å; Y197-G243 PolarHBondContact O-N 2.92Å; G243-M260 CarbonylContact C-O 3.52Å; G243-M260 WeakPolarHBondContact CA-O 3.37Å
244	L	97.6	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.6	-177	-177	61.5	0	0	0	109.4	V195 A196 I209 A213 I226 L246 E259 M260 L276 C280	V195-L244 WeakPolarHBondContact O-CA 3.47Å; A196-L244 HydrophobicContact CB-CD1 3.89Å; I209-L244 HydrophobicContact CG2-CB 3.74Å; I209-L244 HydrophobicContact CG2-CD1 4.03Å; I209-L244 HydrophobicContact CG2-CD2 3.74Å; I209-L244 HydrophobicContact CG2-CG 4.04Å; A213-L244 HydrophobicContact CB-CD2 3.76Å; I226-L244 HydrophobicContact CG2-CD1 3.69Å; L244-L246 HydrophobicContact CD1-CD2 4.04Å; L244-L246 HydrophobicContact CD1-CG 4.29Å; L244-L246 HydrophobicContact CD2-CD1 3.86Å; L244-L246 HydrophobicContact CD2-CD2 4.04Å; L244-L246 HydrophobicContact CD2-CG 3.79Å; L244-L246 HydrophobicContact CG-CD1 4.45Å; L244-L246 HydrophobicContact CG-CD2 4.16Å; L244-L246 HydrophobicContact CG-CG 3.87Å; L244-E259 CarbonylContact O-C 3.56Å; L244-E259 VanDerWaalsContact O-CA 3.23Å; L244-E259 WeakPolarHBondContact O-CA 3.33Å; L244-M260 PolarHBondContact N-O 3.27Å; L244-M260 PolarHBondContact O-N 3.49Å; L244-L276 HydrophobicContact CB-CD2 3.71Å; L244-C280 HydrophobicContact CB-CB 4.35Å; L244-C280 HydrophobicContact CD2-CB 3.91Å; L244-C280 HydrophobicContact CG-CB 4.4Å
245	T	97.6	Very high	95.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.2	163.2	-54.3	0	0	0	0	107.8	D131 L132 G194 V195 V247 E259	D131-T245 HydrophobicContact CB-CG2 4.34Å; L132-T245 HydrophobicContact CB-CG2 4.15Å; G194-T245 CarbonylContact C-O 3.58Å; G194-T245 WeakPolarHBondContact CA-O 3.49Å; V195-T245 PolarHBondContact N-O 2.82Å; V195-T245 PolarHBondContact O-N 2.8Å; T245-V247 HydrophobicContact CG2-CG2 4.43Å; T245-E259 HydrophobicContact CG2-CB 4.44Å
246	L	98.3	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.8	175.5	-65.8	170.7	0	0	0	110	I192 L217 I226 L244 S257 A258 A281 L284	I192-L246 HydrophobicContact CG2-CD2 4.34Å; L217-L246 HydrophobicContact CD1-CD1 3.99Å; L217-L246 HydrophobicContact CD1-CD2 4.41Å; I226-L246 HydrophobicContact CD1-CD2 3.69Å; I226-L246 HydrophobicContact CG1-CD2 3.91Å; L244-L246 HydrophobicContact CD1-CD2 4.04Å; L244-L246 HydrophobicContact CD1-CG 4.29Å; L244-L246 HydrophobicContact CD2-CD1 3.86Å; L244-L246 HydrophobicContact CD2-CD2 4.04Å; L244-L246 HydrophobicContact CD2-CG 3.79Å; L244-L246 HydrophobicContact CG-CD1 4.45Å; L244-L246 HydrophobicContact CG-CD2 4.16Å; L244-L246 HydrophobicContact CG-CG 3.87Å; L246-S257 WeakPolarHBondContact O-CA 3.23Å; L246-S257 WeakPolarHBondContact O-CB 3.5Å; L246-A258 PolarHBondContact N-O 2.7Å; L246-A258 PolarHBondContact O-N 2.78Å; L246-A281 HydrophobicContact CD1-CB 4.28Å; L246-L284 HydrophobicContact CB-CB 4.37Å; L246-L284 HydrophobicContact CB-CD2 3.82Å; L246-L284 HydrophobicContact CB-CG 4.47Å; L246-L284 HydrophobicContact CD1-CB 4.37Å; L246-L284 HydrophobicContact CD1-CD2 4.36Å
247	V	98.1	Very high	96	Very high	12 Å²	12	25.6 Å²	25.6	7%	0.073	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	118.6	-177.1	-171.9	0	0	0	0	109.1	S135 T136 I192 R193 T245 F255 L256	S135-V247 VanDerWaalsContact OG-CG2 3.27Å; S135-V247 WeakPolarHBondContact OG-CG2 3.5Å; T136-V247 HydrophobicContact CG2-CG1 4.4Å; I192-V247 WeakPolarHBondContact CA-O 3.24Å; R193-V247 PolarHBondContact N-O 2.83Å; R193-V247 PolarHBondContact O-N 3.42Å; T245-V247 HydrophobicContact CG2-CG2 4.43Å; V247-F255 HydrophobicContact CG1-CB 4.02Å; V247-F255 HydrophobicContact CG1-CD1 3.93Å; V247-F255 HydrophobicContact CG1-CG 4.48Å; V247-L256 CarbonylContact C-O 3.55Å; V247-L256 VanDerWaalsContact CA-O 3.31Å; V247-L256 WeakPolarHBondContact CA-O 3.42Å
248	A	98	Very high	96.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.1	169.1	0	0	0	0	0	109.3	I189 I192 F255 L256 L284 V288	I189-A248 HydrophobicContact CD1-CB 4.07Å; I189-A248 HydrophobicContact CG2-CB 4.09Å; I192-A248 HydrophobicContact CG1-CB 4.28Å; A248-F255 WeakPolarHBondContact O-CA 3.37Å; A248-L256 HydrophobicContact CB-CB 4.48Å; A248-L256 PolarHBondContact N-O 2.85Å; A248-L256 PolarHBondContact O-N 3.07Å; A248-L284 HydrophobicContact CB-CD1 4.09Å; A248-L284 HydrophobicContact CB-CD2 4.35Å; A248-V288 HydrophobicContact CB-CG2 4.02Å
249	E	97.5	Very high	96.1	Very high	26 Å²	26	20.8 Å²	20.8	12%	0.121	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.9	174	177.3	-175	143.4	0	0	109.1	K190 R191 C254 F255	K190-E249 WeakPolarHBondContact CB-O 3.29Å; K190-E249 PolarHBondContact N-O 2.84Å; K190-E249 IonicContact NZ-OE1 2.63Å; K190-E249 PolarHBondContact NZ-OE1 2.88Å; R191-E249 HydrophobicContact CG-CB 4.06Å; R191-E249 IonicContact CZ-OE1 3.88Å; R191-E249 IonicContact CZ-OE2 3.64Å; R191-E249 PolarHBondContact N-O 2.82Å; R191-E249 VanDerWaalsContact NE-CD 3.32Å; R191-E249 IonicContact NE-OE1 2.72Å; R191-E249 PolarHBondContact NE-OE1 3.19Å; R191-E249 IonicContact NE-OE2 3.64Å; R191-E249 PolarHBondContact NE-OE2 3.03Å; R191-E249 IonicContact NH2-OE1 3.16Å; R191-E249 PolarHBondContact NH2-OE1 3.18Å; R191-E249 IonicContact NH2-OE2 3.48Å; R191-E249 PolarHBondContact NH2-OE2 3.18Å; R191-E249 PolarHBondContact O-N 2.82Å; E249-C254 WeakPolarHBondContact CA-O 3.37Å; E249-F255 HydrophobicContact CB-CD1 4.17Å; E249-F255 HydrophobicContact CB-CE1 4Å; E249-F255 HydrophobicContact CG-CD1 4.3Å; E249-F255 HydrophobicContact CG-CE1 3.74Å; E249-F255 HydrophobicContact CG-CZ 4.18Å
250	T	96.4	Very high	96.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	162.4	176.8	79	0	0	0	0	112.2	P186 K188 I189 N252 G253 C254	P186-T250 WeakPolarHBondContact O-CB 3.2Å; P186-T250 WeakPolarHBondContact O-CG2 3.47Å; P186-T250 PolarHBondContact O-OG1 3.29Å; K188-T250 CarbonylContact O-C 3.58Å; K188-T250 VanDerWaalsContact O-CA 3.24Å; K188-T250 WeakPolarHBondContact O-CA 3.44Å; K188-T250 WeakPolarHBondContact O-CB 3.38Å; I189-T250 HydrophobicContact CD1-CG2 3.79Å; T250-N252 PolarHBondContact O-N 2.97Å; T250-N252 PolarHBondContact OG1-N 3.38Å; T250-G253 PolarHBondContact O-N 3.07Å; T250-G253 PolarHBondContact OG1-N 3Å; T250-C254 HydrophobicContact CG2-CB 3.92Å; T250-C254 PolarHBondContact N-O 2.81Å; T250-C254 WeakPolarHBondContact OG1-CB 3.25Å; T250-C254 PolarHBondContact OG1-N 3.48Å
251	L	94.4	Very high	96.2	Very high	114 Å²	114	22.1 Å²	22.1	60%	0.597	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.7	174.9	-68.8	172.8	0	0	0	112.9	K188 K190 G253	K188-L251 HydrophobicContact CB-CD1 4.12Å; K188-L251 PolarHBondContact O-N 3.08Å; K190-L251 HydrophobicContact CB-CD2 3.88Å; K190-L251 HydrophobicContact CB-CG 4.24Å; K190-L251 HydrophobicContact CD-CD2 4.18Å; K190-L251 HydrophobicContact CG-CD2 3.95Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.95Å
252	N	93.6	Very high	96.1	Very high	79 Å²	79	22.6 Å²	22.6	42%	0.422	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	13.4	179.2	-65.2	-2	0	0	0	112.5	E185 T250 C254	E185-N252 PolarHBondContact O-ND2 3.21Å; T250-N252 PolarHBondContact O-N 2.97Å; T250-N252 PolarHBondContact OG1-N 3.38Å; N252-C254 PolarHBondContact O-N 3.15Å
253	G	93.3	Very high	95.9	Very high	23 Å²	23	23.8 Å²	23.8	24%	0.237	13%	0.133	C	C	.	.	S	Bend	trans	68.8	30.4	176.7	0	0	0	0	0	113.6	K143 T250 L251 F255	K143-G253 WeakPolarHBondContact CE-O 3.48Å; K143-G253 PolarHBondContact NZ-O 2.95Å; T250-G253 PolarHBondContact O-N 3.07Å; T250-G253 PolarHBondContact OG1-N 3Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.95Å; G253-F255 VanDerWaalsContact O-CE2 3.31Å; G253-F255 WeakPolarHBondContact O-CE2 3.39Å
254	C	95.5	Very high	95.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.02	14%	0.139	C	C	.	.			trans	-88.9	150.9	166.8	-60.1	0	0	0	0	109.5	K143 E249 T250 N252 C293	K143-C254 PolarHBondContact NZ-SG 2.79Å; K143-C254 VanDerWaalsContact NZ-SG 3.41Å; E249-C254 WeakPolarHBondContact CA-O 3.37Å; T250-C254 HydrophobicContact CG2-CB 3.92Å; T250-C254 PolarHBondContact N-O 2.81Å; T250-C254 WeakPolarHBondContact OG1-CB 3.25Å; T250-C254 PolarHBondContact OG1-N 3.48Å; N252-C254 PolarHBondContact O-N 3.15Å; C254-C293 WeakPolarHBondContact CB-O 3.39Å
255	F	97.3	Very high	95	Very high	47 Å²	47	30.1 Å²	30.1	21%	0.206	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.2	-176.6	-61.8	-91.3	0	0	0	108.3	T136 P139 V247 A248 E249 G253	T136-F255 HydrophobicContact CG2-CB 3.98Å; P139-F255 HydrophobicContact CB-CD2 3.61Å; P139-F255 HydrophobicContact CB-CE2 3.44Å; P139-F255 VanDerWaalsContact CB-CE2 3.44Å; P139-F255 HydrophobicContact CB-CG 4.48Å; P139-F255 HydrophobicContact CB-CZ 4.19Å; P139-F255 HydrophobicContact CG-CD2 4.13Å; P139-F255 HydrophobicContact CG-CE2 4.03Å; P139-F255 HydrophobicContact CG-CZ 4.37Å; V247-F255 HydrophobicContact CG1-CB 4.02Å; V247-F255 HydrophobicContact CG1-CD1 3.93Å; V247-F255 HydrophobicContact CG1-CG 4.48Å; A248-F255 WeakPolarHBondContact O-CA 3.37Å; E249-F255 HydrophobicContact CB-CD1 4.17Å; E249-F255 HydrophobicContact CB-CE1 4Å; E249-F255 HydrophobicContact CG-CD1 4.3Å; E249-F255 HydrophobicContact CG-CE1 3.74Å; E249-F255 HydrophobicContact CG-CZ 4.18Å; G253-F255 VanDerWaalsContact O-CE2 3.31Å; G253-F255 WeakPolarHBondContact O-CE2 3.39Å
256	L	97.1	Very high	94.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.5	175.9	-58.6	179	0	0	0	108.1	V247 A248 L284 E287 V288 D295	V247-L256 CarbonylContact C-O 3.55Å; V247-L256 VanDerWaalsContact CA-O 3.31Å; V247-L256 WeakPolarHBondContact CA-O 3.42Å; A248-L256 HydrophobicContact CB-CB 4.48Å; A248-L256 PolarHBondContact N-O 2.85Å; A248-L256 PolarHBondContact O-N 3.07Å; L256-L284 WeakPolarHBondContact O-CD1 3.28Å; L256-E287 HydrophobicContact CB-CG 4.28Å; L256-V288 HydrophobicContact CD1-CG2 4.26Å; L256-D295 HydrophobicContact CD2-CB 4.33Å
257	S	96.6	Very high	93.6	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.5	-173.5	63.8	0	0	0	0	113.8	L132 T136 L246 D295	L132-S257 WeakPolarHBondContact CD1-OG 3.08Å; L132-S257 VanDerWaalsContact CG-OG 3.29Å; L132-S257 WeakPolarHBondContact CG-OG 3.09Å; T136-S257 VanDerWaalsContact CG2-OG 3.23Å; T136-S257 WeakPolarHBondContact CG2-OG 3.46Å; L246-S257 WeakPolarHBondContact O-CA 3.23Å; L246-S257 WeakPolarHBondContact O-CB 3.5Å; S257-D295 PolarHBondContact OG-OD2 2.97Å
258	A	97	Very high	92.9	Very high	10 Å²	10	42.5 Å²	42.5	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.6	167.7	0	0	0	0	0	109.4	L246 L283 L284	L246-A258 PolarHBondContact N-O 2.7Å; L246-A258 PolarHBondContact O-N 2.78Å; A258-L283 HydrophobicContact CB-CB 3.74Å; A258-L284 HydrophobicContact CB-CB 3.96Å; A258-L284 VanDerWaalsContact CB-N 3.32Å
259	E	95.6	Very high	92.3	Very high	41 Å²	41	50.3 Å²	50.3	19%	0.192	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.5	-179.5	65.8	-172.8	-176.7	0	0	111.9	P128 T129 L132 L244 T245	P128-E259 WeakPolarHBondContact CA-OE1 3.41Å; T129-E259 WeakPolarHBondContact CB-OE2 3.4Å; T129-E259 VanDerWaalsContact CG2-CD 3.46Å; T129-E259 HydrophobicContact CG2-CG 4.42Å; T129-E259 WeakPolarHBondContact CG2-OE2 3.38Å; T129-E259 PolarHBondContact N-OE1 3.05Å; T129-E259 PolarHBondContact N-OE2 2.91Å; T129-E259 PolarHBondContact OG1-OE2 3.09Å; L132-E259 WeakPolarHBondContact CB-OE2 3.47Å; L132-E259 HydrophobicContact CD1-CB 4.31Å; L132-E259 VanDerWaalsContact CD1-CD 3.47Å; L132-E259 HydrophobicContact CD1-CG 3.9Å; L132-E259 WeakPolarHBondContact CD1-OE2 3.5Å; L244-E259 CarbonylContact O-C 3.56Å; L244-E259 VanDerWaalsContact O-CA 3.23Å; L244-E259 WeakPolarHBondContact O-CA 3.33Å; T245-E259 HydrophobicContact CG2-CB 4.44Å
260	M	95.3	Very high	91.8	Very high	53 Å²	53	54.9 Å²	54.9	26%	0.261	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	135.5	172	-163.6	173.6	-174.4	0	0	109.9	G243 L244 L276 N279 C280	G243-M260 CarbonylContact C-O 3.52Å; G243-M260 WeakPolarHBondContact CA-O 3.37Å; L244-M260 PolarHBondContact N-O 3.27Å; L244-M260 PolarHBondContact O-N 3.49Å; M260-L276 HydrophobicContact CB-CD2 4.37Å; M260-L276 HydrophobicContact CB-CG 4.14Å; M260-L276 HydrophobicContact CG-CD1 4.39Å; M260-L276 HydrophobicContact CG-CG 4.04Å; M260-L276 HydrophobicContact SD-CG 4.12Å; M260-N279 HydrophobicContact CE-CB 4.4Å; M260-N279 HydrophobicContact SD-CB 3.77Å; M260-C280 HydrophobicContact CB-CB 3.91Å
261	S	93.9	Very high	91.6	Very high	15 Å²	15	56.6 Å²	56.6	11%	0.105	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150	177.9	-61.2	0	0	0	0	110.1	D124 Y197	D124-S261 PolarHBondContact O-OG 3.04Å; Y197-S261 PolarHBondContact OH-OG 2.95Å
262	S	93.4	Very high	91.6	Very high	13 Å²	13	55.8 Å²	55.8	9%	0.091	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.1	152.9	168.9	62.5	0	0	0	0	110.8	G241 F242	G241-S262 WeakPolarHBondContact CA-OG 3.35Å; F242-S262 PolarHBondContact N-OG 3.31Å; F242-S262 VanDerWaalsContact N-OG 3.07Å; F242-S262 VanDerWaalsContact O-CB 3.31Å; F242-S262 WeakPolarHBondContact O-CB 3.32Å; F242-S262 PolarHBondContact O-N 2.98Å; F242-S262 PolarHBondContact O-OG 3.43Å; F242-S262 VanDerWaalsContact O-OG 3.12Å
263	T	91.6	Very high	91.7	Very high	47 Å²	47	52.3 Å²	52.3	29%	0.288	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-58.6	134.5	172	36.1	0	0	0	0	110.9	E269 V271	T263-E269 WeakPolarHBondContact CB-O 3.32Å; T263-E269 VanDerWaalsContact CG2-O 3.32Å; T263-E269 WeakPolarHBondContact CG2-O 3.29Å; T263-E269 PolarHBondContact OG1-O 3.17Å; T263-V271 HydrophobicContact CG2-CG2 3.85Å
264	P	88.9	Confident	92	Very high	20 Å²	20	53.8 Å²	53.8	13%	0.13	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-57.5	148.6	178.2	-26.7	35.4	0	0	0	112.6	A161 G266 Q267	A161-P264 HydrophobicContact CB-CB 4Å; A161-P264 HydrophobicContact CB-CG 4.16Å; P264-G266 PolarHBondContact O-N 3.29Å; P264-Q267 HydrophobicContact CB-CB 4.3Å; P264-Q267 HydrophobicContact CB-CG 4.39Å; P264-Q267 PolarHBondContact O-N 2.86Å
265	Q	85.1	Confident	92	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.533	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	126.6	179.9	-173.9	-179.2	22.4	0	0	111.1	P240 Q267	P240-Q265 HydrophobicContact CG-CB 4.25Å; P240-Q265 HydrophobicContact CG-CG 4.31Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å
266	G	83.3	Confident	92	Very high	87 Å²	87	54.5 Å²	54.5	90%	0.897	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	11.5	179.8	0	0	0	0	0	114.4	P264	P264-G266 PolarHBondContact O-N 3.29Å
267	Q	83.2	Confident	92.1	Very high	111 Å²	111	54.3 Å²	54.3	52%	0.519	33%	0.327	S	S	.	.	S	Bend	trans	-129.6	130	178.1	-60.8	-176.9	5	0	0	111.3	P264 Q265	P264-Q267 HydrophobicContact CB-CB 4.3Å; P264-Q267 HydrophobicContact CB-CG 4.39Å; P264-Q267 PolarHBondContact O-N 2.86Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å
268	G	83.9	Confident	92.2	Very high	76 Å²	76	59.5 Å²	59.5	78%	0.784	35%	0.346	S	S	*	.	S	Bend	trans	62.9	-168.3	174.4	0	0	0	0	0	114.3
269	E	86.3	Confident	92.2	Very high	166 Å²	166	61.9 Å²	61.9	78%	0.776	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-82.9	142.5	179.1	-66.6	-172.4	166	0	0	111.5	T263 V271	T263-E269 WeakPolarHBondContact CB-O 3.32Å; T263-E269 VanDerWaalsContact CG2-O 3.32Å; T263-E269 WeakPolarHBondContact CG2-O 3.29Å; T263-E269 PolarHBondContact OG1-O 3.17Å; E269-V271 PolarHBondContact O-N 3.45Å
270	P	86.5	Confident	92.3	Very high	122 Å²	122	59.9 Å²	59.9	79%	0.792	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-61.7	131	174.2	-21.5	32.9	0	0	0	111.7
271	V	91.3	Very high	92.5	Very high	38 Å²	38	57.4 Å²	57.4	23%	0.23	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-88.5	134.7	175.3	-178.3	0	0	0	0	109.7	F242 T263 E269 L276	F242-V271 WeakPolarHBondContact CZ-O 3.27Å; T263-V271 HydrophobicContact CG2-CG2 3.85Å; E269-V271 PolarHBondContact O-N 3.45Å; V271-L276 HydrophobicContact CG1-CB 3.96Å; V271-L276 HydrophobicContact CG1-CD1 4.46Å
272	L	95.3	Very high	92.7	Very high	97 Å²	97	62.4 Å²	62.4	51%	0.508	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-75.6	138	172.4	-67.5	176.5	0	0	0	111	E274 D275 L276	L272-E274 PolarHBondContact O-N 2.96Å; L272-D275 HydrophobicContact CB-CB 4.33Å; L272-D275 PolarHBondContact O-N 3.11Å; L272-L276 PolarHBondContact O-N 2.98Å
273	P	96.3	Very high	92.9	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-52.5	-39.3	175.5	-28.2	34.4	0	0	0	114	M205 R208 I209 F242 L276 G277	M205-P273 HydrophobicContact SD-CG 3.45Å; M205-P273 WeakPolarHBondContact SD-CG 3.42Å; R208-P273 HydrophobicContact CB-CB 3.96Å; I209-P273 HydrophobicContact CG1-CB 3.85Å; I209-P273 WeakPolarHBondContact CG1-O 3.39Å; F242-P273 HydrophobicContact CE2-CB 4.36Å; F242-P273 HydrophobicContact CE2-CG 4.11Å; F242-P273 HydrophobicContact CZ-CG 3.99Å; P273-L276 PolarHBondContact O-N 2.91Å; P273-G277 PolarHBondContact O-N 3.18Å
274	E	97.9	Very high	93.2	Very high	54 Å²	54	62.9 Å²	62.9	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-46.9	179.3	-68.8	78	-176	0	0	111.4	R208 S212 L272 G277 R278	R208-E274 IonicContact CZ-OE1 3.13Å; R208-E274 IonicContact CZ-OE2 3.52Å; R208-E274 IonicContact NE-OE1 2.66Å; R208-E274 PolarHBondContact NE-OE1 3.28Å; R208-E274 IonicContact NE-OE2 3.65Å; R208-E274 IonicContact NH2-OE1 2.81Å; R208-E274 PolarHBondContact NH2-OE1 3.49Å; R208-E274 IonicContact NH2-OE2 2.71Å; R208-E274 PolarHBondContact NH2-OE2 3.25Å; S212-E274 VanDerWaalsContact CB-O 3.26Å; S212-E274 WeakPolarHBondContact CB-O 3.24Å; S212-E274 WeakPolarHBondContact OG-CA 2.97Å; S212-E274 PolarHBondContact OG-O 3.18Å; L272-E274 PolarHBondContact O-N 2.96Å; E274-G277 PolarHBondContact O-N 2.88Å; E274-R278 WeakPolarHBondContact O-CG 3.2Å; E274-R278 PolarHBondContact O-N 2.88Å
275	D	97.3	Very high	93.5	Very high	65 Å²	65	64.3 Å²	64.3	35%	0.348	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-40.2	179.3	-66.4	-29.7	0	0	0	110.8	L272 G277 R278 N279	L272-D275 HydrophobicContact CB-CB 4.33Å; L272-D275 PolarHBondContact O-N 3.11Å; D275-G277 PolarHBondContact O-N 2.86Å; D275-R278 PolarHBondContact O-N 3.34Å; D275-N279 WeakPolarHBondContact O-CB 3.19Å; D275-N279 PolarHBondContact O-N 2.84Å; D275-N279 PolarHBondContact O-ND2 2.86Å; D275-N279 VanDerWaalsContact O-ND2 3.15Å
276	L	97.1	Very high	94	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56.8	-49.8	173.5	-172.6	149.9	0	0	0	111.1	I209 F242 L244 M260 V271 L272 P273 N279 C280	I209-L276 HydrophobicContact CD1-CD2 4.3Å; I209-L276 HydrophobicContact CG1-CD2 4.31Å; I209-L276 HydrophobicContact CG2-CD2 4.08Å; F242-L276 HydrophobicContact CD2-CD1 3.88Å; F242-L276 HydrophobicContact CE2-CB 4.49Å; F242-L276 HydrophobicContact CE2-CD1 3.76Å; L244-L276 HydrophobicContact CB-CD2 3.71Å; M260-L276 HydrophobicContact CB-CD2 4.37Å; M260-L276 HydrophobicContact CB-CG 4.14Å; M260-L276 HydrophobicContact CG-CD1 4.39Å; M260-L276 HydrophobicContact CG-CG 4.04Å; M260-L276 HydrophobicContact SD-CG 4.12Å; V271-L276 HydrophobicContact CG1-CB 3.96Å; V271-L276 HydrophobicContact CG1-CD1 4.46Å; L272-L276 PolarHBondContact O-N 2.98Å; P273-L276 PolarHBondContact O-N 2.91Å; L276-N279 PolarHBondContact O-N 3.18Å; L276-C280 WeakPolarHBondContact O-CB 3.47Å; L276-C280 PolarHBondContact O-N 2.47Å
277	G	98	Very high	94.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-40.2	180	0	0	0	0	0	113.2	S212 A213 P273 E274 D275 A281	S212-G277 VanDerWaalsContact OG-CA 3.27Å; S212-G277 WeakPolarHBondContact OG-CA 3.34Å; A213-G277 WeakPolarHBondContact CA-O 3.36Å; P273-G277 PolarHBondContact O-N 3.18Å; E274-G277 PolarHBondContact O-N 2.88Å; D275-G277 PolarHBondContact O-N 2.86Å; G277-A281 WeakPolarHBondContact O-CB 3.36Å; G277-A281 PolarHBondContact O-N 3Å
278	R	98.4	Very high	95.2	Very high	114 Å²	114	56.4 Å²	56.4	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-44.3	175.4	-73.1	172.1	-178.8	167.9	0.5	112.1	V216 E274 D275 A281 K282	V216-R278 HydrophobicContact CG2-CB 4.34Å; V216-R278 HydrophobicContact CG2-CG 4.11Å; E274-R278 WeakPolarHBondContact O-CG 3.2Å; E274-R278 PolarHBondContact O-N 2.88Å; D275-R278 PolarHBondContact O-N 3.34Å; R278-A281 PolarHBondContact O-N 3.1Å; R278-K282 WeakPolarHBondContact O-CG 3.47Å; R278-K282 PolarHBondContact O-N 2.83Å
279	N	97.9	Very high	95.7	Very high	60 Å²	60	58.9 Å²	58.9	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-71.2	-41.1	-177.8	-69.3	-25.1	0	0	0	111.2	M260 D275 L276 A281 K282 L283	M260-N279 HydrophobicContact CE-CB 4.4Å; M260-N279 HydrophobicContact SD-CB 3.77Å; D275-N279 WeakPolarHBondContact O-CB 3.19Å; D275-N279 PolarHBondContact O-N 2.84Å; D275-N279 PolarHBondContact O-ND2 2.86Å; D275-N279 VanDerWaalsContact O-ND2 3.15Å; L276-N279 PolarHBondContact O-N 3.18Å; N279-A281 VanDerWaalsContact C-N 3.33Å; N279-A281 PolarHBondContact O-N 2.74Å; N279-K282 WeakPolarHBondContact O-CB 3.45Å; N279-K282 PolarHBondContact O-N 3.32Å; N279-K282 VanDerWaalsContact O-N 3.16Å; N279-L283 WeakPolarHBondContact O-CG 3.44Å; N279-L283 PolarHBondContact O-N 2.9Å
280	C	97.9	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-39.7	173.2	-176.6	0	0	0	0	112	L244 M260 L276 K282 L283 L284	L244-C280 HydrophobicContact CB-CB 4.35Å; L244-C280 HydrophobicContact CD2-CB 3.91Å; L244-C280 HydrophobicContact CG-CB 4.4Å; M260-C280 HydrophobicContact CB-CB 3.91Å; L276-C280 WeakPolarHBondContact O-CB 3.47Å; L276-C280 PolarHBondContact O-N 2.47Å; C280-K282 PolarHBondContact O-N 3.44Å; C280-L283 PolarHBondContact O-N 3.43Å; C280-L284 PolarHBondContact O-N 3.43Å
281	A	98.3	Very high	96.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-42	172.7	0	0	0	0	0	112.4	A213 V216 L217 L246 G277 R278 N279 L284 L285	A213-A281 HydrophobicContact CB-CB 4.46Å; V216-A281 HydrophobicContact CB-CB 3.92Å; V216-A281 HydrophobicContact CG1-CB 4.08Å; V216-A281 HydrophobicContact CG2-CB 4.38Å; L217-A281 HydrophobicContact CD1-CB 4.23Å; L217-A281 HydrophobicContact CD2-CB 4.03Å; L217-A281 HydrophobicContact CG-CB 3.85Å; L246-A281 HydrophobicContact CD1-CB 4.28Å; G277-A281 WeakPolarHBondContact O-CB 3.36Å; G277-A281 PolarHBondContact O-N 3Å; R278-A281 PolarHBondContact O-N 3.1Å; N279-A281 VanDerWaalsContact C-N 3.33Å; N279-A281 PolarHBondContact O-N 2.74Å; A281-L284 PolarHBondContact O-N 3.08Å; A281-L285 WeakPolarHBondContact O-CG 3.35Å; A281-L285 PolarHBondContact O-N 2.79Å
282	K	98.1	Very high	96.2	Very high	120 Å²	120	47.9 Å²	47.9	52%	0.522	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-41.7	174.3	-70	170.5	-175.6	174.8	0	112.2	R278 N279 C280 L284 L285 E286	R278-K282 WeakPolarHBondContact O-CG 3.47Å; R278-K282 PolarHBondContact O-N 2.83Å; N279-K282 WeakPolarHBondContact O-CB 3.45Å; N279-K282 PolarHBondContact O-N 3.32Å; N279-K282 VanDerWaalsContact O-N 3.16Å; C280-K282 PolarHBondContact O-N 3.44Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 3Å; K282-L285 PolarHBondContact O-N 2.74Å; K282-E286 PolarHBondContact O-N 2.75Å
283	L	97.6	Very high	96.2	Very high	70 Å²	70	43.4 Å²	43.4	37%	0.366	20%	0.202	S	C	.	.	H	α-helix	trans	-61.3	-39.8	175	-70.4	171.9	0	0	0	111.5	A258 N279 C280 E286 E287	A258-L283 HydrophobicContact CB-CB 3.74Å; N279-L283 WeakPolarHBondContact O-CG 3.44Å; N279-L283 PolarHBondContact O-N 2.9Å; C280-L283 PolarHBondContact O-N 3.43Å; L283-E286 WeakPolarHBondContact O-CB 3.19Å; L283-E286 PolarHBondContact O-N 3.27Å; L283-E287 PolarHBondContact O-N 3.1Å
284	L	98	Very high	96.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-43.4	174	179.9	66.7	0	0	0	111.3	I192 L217 L246 A248 L256 A258 C280 A281 K282 E286 E287 V288	I192-L284 HydrophobicContact CD1-CD2 3.83Å; I192-L284 HydrophobicContact CG1-CD2 4.18Å; I192-L284 HydrophobicContact CG2-CD2 3.97Å; L217-L284 HydrophobicContact CD2-CD2 4.49Å; L246-L284 HydrophobicContact CB-CB 4.37Å; L246-L284 HydrophobicContact CB-CD2 3.82Å; L246-L284 HydrophobicContact CB-CG 4.47Å; L246-L284 HydrophobicContact CD1-CB 4.37Å; L246-L284 HydrophobicContact CD1-CD2 4.36Å; A248-L284 HydrophobicContact CB-CD1 4.09Å; A248-L284 HydrophobicContact CB-CD2 4.35Å; L256-L284 WeakPolarHBondContact O-CD1 3.28Å; A258-L284 HydrophobicContact CB-CB 3.96Å; A258-L284 VanDerWaalsContact CB-N 3.32Å; C280-L284 PolarHBondContact O-N 3.43Å; A281-L284 PolarHBondContact O-N 3.08Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 3Å; L284-E286 VanDerWaalsContact C-N 3.29Å; L284-E286 PolarHBondContact O-N 2.97Å; L284-E287 PolarHBondContact O-N 2.69Å; L284-V288 HydrophobicContact CG-CG2 4.48Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 2.77Å
285	L	96.6	Very high	96.1	Very high	49 Å²	49	40.9 Å²	40.9	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-36.4	176.9	-67.3	173.6	0	0	0	111.7	V216 L217 F220 A281 K282 V288 Y289	V216-L285 HydrophobicContact CG1-CD1 3.98Å; L217-L285 HydrophobicContact CD2-CD2 4.21Å; L217-L285 HydrophobicContact CD2-CG 4.22Å; F220-L285 HydrophobicContact CD2-CD1 4.3Å; F220-L285 HydrophobicContact CD2-CD2 4.07Å; F220-L285 HydrophobicContact CE2-CD1 3.61Å; F220-L285 HydrophobicContact CE2-CD2 4.09Å; F220-L285 HydrophobicContact CG-CD2 4.43Å; F220-L285 HydrophobicContact CZ-CD1 4.02Å; F220-L285 HydrophobicContact CZ-CD2 4.45Å; A281-L285 WeakPolarHBondContact O-CG 3.35Å; A281-L285 PolarHBondContact O-N 2.79Å; K282-L285 PolarHBondContact O-N 2.74Å; L285-V288 PolarHBondContact O-N 2.88Å; L285-Y289 WeakPolarHBondContact O-CB 3.39Å; L285-Y289 PolarHBondContact O-N 3.13Å
286	E	95.6	Very high	96	Very high	85 Å²	85	38.6 Å²	38.6	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-63.4	-43.4	172.5	-171	-175.5	164.3	0	0	111.4	K282 L283 L284 V288 Y289 R290	K282-E286 PolarHBondContact O-N 2.75Å; L283-E286 WeakPolarHBondContact O-CB 3.19Å; L283-E286 PolarHBondContact O-N 3.27Å; L284-E286 VanDerWaalsContact C-N 3.29Å; L284-E286 PolarHBondContact O-N 2.97Å; E286-V288 PolarHBondContact O-N 2.9Å; E286-Y289 WeakPolarHBondContact O-CB 3.24Å; E286-Y289 PolarHBondContact O-N 3.26Å; E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 2.81Å; E286-R290 IonicContact OE1-CZ 3.93Å; E286-R290 IonicContact OE1-NE 3.44Å; E286-R290 PolarHBondContact OE1-NE 2.91Å; E286-R290 IonicContact OE1-NH2 3.6Å; E286-R290 PolarHBondContact OE1-NH2 2.74Å
287	E	96.2	Very high	95.8	Very high	14 Å²	14	41 Å²	41	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-39.4	177	-165.7	63	-161	0	0	111.8	L256 L283 L284 Y289 R290 G291 D295 S296	L256-E287 HydrophobicContact CB-CG 4.28Å; L283-E287 PolarHBondContact O-N 3.1Å; L284-E287 PolarHBondContact O-N 2.69Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 2.87Å; E287-R290 PolarHBondContact O-N 3.18Å; E287-R290 IonicContact OE2-NH1 2.89Å; E287-G291 PolarHBondContact O-N 3.12Å; E287-D295 HydrophobicContact CG-CB 4.46Å; E287-D295 WeakPolarHBondContact OE1-CA 3.46Å; E287-S296 VanDerWaalsContact CD-OG 3.3Å; E287-S296 WeakPolarHBondContact OE1-CB 3.4Å; E287-S296 PolarHBondContact OE1-N 3.47Å; E287-S296 PolarHBondContact OE1-OG 3.31Å; E287-S296 PolarHBondContact OE2-OG 3.11Å; E287-S296 VanDerWaalsContact OE2-OG 3.05Å
288	V	95.1	Very high	95.7	Very high	48 Å²	48	41.1 Å²	41.1	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-38.6	172.5	171.6	0	0	0	0	111.3	I189 A248 L256 L284 L285 E286 G291	I189-V288 HydrophobicContact CD1-CG1 4.26Å; I189-V288 HydrophobicContact CD1-CG2 4.26Å; I189-V288 HydrophobicContact CG1-CG1 4.1Å; A248-V288 HydrophobicContact CB-CG2 4.02Å; L256-V288 HydrophobicContact CD1-CG2 4.26Å; L284-V288 HydrophobicContact CG-CG2 4.48Å; L284-V288 WeakPolarHBondContact O-CG2 3.42Å; L284-V288 PolarHBondContact O-N 2.77Å; L285-V288 PolarHBondContact O-N 2.88Å; E286-V288 PolarHBondContact O-N 2.9Å; V288-G291 WeakPolarHBondContact O-CA 3.25Å; V288-G291 PolarHBondContact O-N 2.73Å
289	Y	93.4	Very high	95.7	Very high	128 Å²	128	35.8 Å²	35.8	50%	0.502	18%	0.176	S	C	.	.	H	α-helix	trans	-63.9	-46.7	176	175.7	-92.4	0	0	0	111.5	L285 E286 E287 G291 K353 G354 G355	L285-Y289 WeakPolarHBondContact O-CB 3.39Å; L285-Y289 PolarHBondContact O-N 3.13Å; E286-Y289 WeakPolarHBondContact O-CB 3.24Å; E286-Y289 PolarHBondContact O-N 3.26Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 2.87Å; Y289-G291 PolarHBondContact O-N 3.01Å; Y289-K353 WeakPolarHBondContact CE2-O 3.35Å; Y289-G354 CarbonylContact O-C 3.54Å; Y289-G354 WeakPolarHBondContact O-CA 3.31Å; Y289-G355 PolarHBondContact O-N 3.36Å
290	R	92.1	Very high	95.7	Very high	85 Å²	85	33 Å²	33	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-57.4	-40.2	172.5	-71.4	174.7	-174.3	-173.1	3	111.4	E286 E287 S296 G319	E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 2.81Å; E286-R290 IonicContact OE1-CZ 3.93Å; E286-R290 IonicContact OE1-NE 3.44Å; E286-R290 PolarHBondContact OE1-NE 2.91Å; E286-R290 IonicContact OE1-NH2 3.6Å; E286-R290 PolarHBondContact OE1-NH2 2.74Å; E287-R290 PolarHBondContact O-N 3.18Å; E287-R290 IonicContact OE2-NH1 2.89Å; R290-S296 PolarHBondContact NH1-OG 3.28Å; R290-G319 WeakPolarHBondContact O-CA 3.38Å
291	G	90.1	Very high	95.7	Very high	9 Å²	9	33.3 Å²	33.3	9%	0.093	16%	0.163	C	C	.	.			trans	69	-156.9	172.1	0	0	0	0	0	113.9	E287 V288 Y289 G319	E287-G291 PolarHBondContact O-N 3.12Å; V288-G291 WeakPolarHBondContact O-CA 3.25Å; V288-G291 PolarHBondContact O-N 2.73Å; Y289-G291 PolarHBondContact O-N 3.01Å; G291-G319 PolarHBondContact O-N 3.48Å
292	G	92.8	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	91	176.6	-170.5	0	0	0	0	0	112.8	P186 L317	P186-G292 WeakPolarHBondContact CB-O 3.31Å; G292-L317 WeakPolarHBondContact CA-O 3.19Å
293	C	95.8	Very high	95.7	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.027	14%	0.138	C	C	.	.	S	Bend	trans	-91	-12.9	-176.3	-68	0	0	0	0	113.5	L183 C254 L317	L183-C293 VanDerWaalsContact C-SG 3.59Å; L183-C293 HydrophobicContact CB-CB 3.85Å; L183-C293 PolarHBondContact O-SG 2.83Å; C254-C293 WeakPolarHBondContact CB-O 3.39Å; C293-L317 PolarHBondContact N-O 2.89Å
294	V	96.9	Very high	95.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-136	135.3	-177.8	-173.6	0	0	0	0	107.9	L140 N298 A302 V316 L318	L140-V294 HydrophobicContact CD1-CG2 3.82Å; L140-V294 HydrophobicContact CD2-CG1 3.93Å; V294-N298 HydrophobicContact CG1-CB 3.82Å; V294-A302 HydrophobicContact CG1-CB 4.22Å; V294-A302 HydrophobicContact CG2-CB 4.09Å; V294-V316 HydrophobicContact CG2-CG1 3.89Å; V294-L318 HydrophobicContact CB-CD2 3.72Å; V294-L318 HydrophobicContact CG2-CD2 4.08Å
295	D	95.4	Very high	95.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.011	12%	0.12	C	C	.	.			trans	-67.6	156.7	176.4	66	-37.8	0	0	0	112.3	L256 S257 E287 S297 N298 Q299	L256-D295 HydrophobicContact CD2-CB 4.33Å; S257-D295 PolarHBondContact OG-OD2 2.97Å; E287-D295 HydrophobicContact CG-CB 4.46Å; E287-D295 WeakPolarHBondContact OE1-CA 3.46Å; D295-S297 PolarHBondContact O-N 3.44Å; D295-S297 VanDerWaalsContact O-N 3.1Å; D295-N298 PolarHBondContact O-N 3.07Å; D295-N298 WeakPolarHBondContact OD1-CB 3.35Å; D295-N298 PolarHBondContact OD1-ND2 3.44Å; D295-N298 PolarHBondContact OD2-ND2 3.49Å; D295-Q299 WeakPolarHBondContact O-CG 3.47Å; D295-Q299 PolarHBondContact O-N 3.07Å
296	S	94.4	Very high	95.8	Very high	18 Å²	18	21.9 Å²	21.9	13%	0.126	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-51.9	-36.1	-178	-61.6	0	0	0	0	112.4	E287 R290	E287-S296 VanDerWaalsContact CD-OG 3.3Å; E287-S296 WeakPolarHBondContact OE1-CB 3.4Å; E287-S296 PolarHBondContact OE1-N 3.47Å; E287-S296 PolarHBondContact OE1-OG 3.31Å; E287-S296 PolarHBondContact OE2-OG 3.11Å; E287-S296 VanDerWaalsContact OE2-OG 3.05Å; R290-S296 PolarHBondContact NH1-OG 3.28Å
297	S	93.4	Very high	95.9	Very high	50 Å²	50	17.8 Å²	17.8	35%	0.35	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-69.9	-29.7	-179.2	-57.4	0	0	0	0	114	D295	D295-S297 PolarHBondContact O-N 3.44Å; D295-S297 VanDerWaalsContact O-N 3.1Å
298	N	96.5	Very high	95.9	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-109.2	10.2	-177.2	-63.6	-67	0	0	0	114.3	T136 A137 L140 V294 D295 S300 L301 A302	T136-N298 VanDerWaalsContact CB-ND2 3.3Å; T136-N298 WeakPolarHBondContact CB-ND2 3.27Å; T136-N298 PolarHBondContact OG1-ND2 2.93Å; A137-N298 WeakPolarHBondContact CB-OD1 3.45Å; L140-N298 HydrophobicContact CD2-CB 3.89Å; V294-N298 HydrophobicContact CG1-CB 3.82Å; D295-N298 PolarHBondContact O-N 3.07Å; D295-N298 WeakPolarHBondContact OD1-CB 3.35Å; D295-N298 PolarHBondContact OD1-ND2 3.44Å; D295-N298 PolarHBondContact OD2-ND2 3.49Å; N298-S300 VanDerWaalsContact C-N 3.28Å; N298-S300 PolarHBondContact O-N 3.11Å; N298-L301 HydrophobicContact CB-CB 4.47Å; N298-L301 PolarHBondContact O-N 3.04Å; N298-A302 PolarHBondContact O-N 2.87Å
299	Q	97.3	Very high	95.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-54.7	-44.9	175.7	-67.4	-179.9	-9.3	0	0	111.7	D295 L301 A302 L303 L318 P320 T325	D295-Q299 WeakPolarHBondContact O-CG 3.47Å; D295-Q299 PolarHBondContact O-N 3.07Å; Q299-L301 PolarHBondContact O-N 3.12Å; Q299-A302 PolarHBondContact O-N 2.96Å; Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.22Å; Q299-L303 WeakPolarHBondContact O-CG 3.48Å; Q299-L303 PolarHBondContact O-N 3.4Å; Q299-L318 HydrophobicContact CB-CD1 4.33Å; Q299-L318 HydrophobicContact CG-CD1 4.21Å; Q299-L318 HydrophobicContact CG-CD2 4.31Å; Q299-P320 PolarHBondContact NE2-O 3.45Å; Q299-T325 HydrophobicContact CB-CG2 3.79Å; Q299-T325 WeakPolarHBondContact CB-OG1 3.25Å; Q299-T325 PolarHBondContact OE1-OG1 3.01Å
300	S	97.3	Very high	95.9	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-43.7	177.7	57	0	0	0	0	112	N298 L303 L304 F328	N298-S300 VanDerWaalsContact C-N 3.28Å; N298-S300 PolarHBondContact O-N 3.11Å; S300-L303 PolarHBondContact O-N 2.85Å; S300-L304 WeakPolarHBondContact O-CB 3.35Å; S300-L304 PolarHBondContact O-N 3.24Å; S300-F328 WeakPolarHBondContact O-CE1 3.46Å
301	L	98	Very high	95.9	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-47	177	-179.8	60.8	0	0	0	111.1	M105 A137 L140 M141 N298 Q299 L303 L304 L305	M105-L301 HydrophobicContact CG-CD1 3.84Å; A137-L301 HydrophobicContact CB-CD2 3.65Å; L140-L301 HydrophobicContact CD2-CB 4.44Å; L140-L301 HydrophobicContact CD2-CD2 4.24Å; L140-L301 HydrophobicContact CD2-CG 4.28Å; M141-L301 HydrophobicContact CG-CD2 4.07Å; M141-L301 HydrophobicContact SD-CD2 4.21Å; N298-L301 HydrophobicContact CB-CB 4.47Å; N298-L301 PolarHBondContact O-N 3.04Å; Q299-L301 PolarHBondContact O-N 3.12Å; L301-L303 PolarHBondContact O-N 2.76Å; L301-L304 PolarHBondContact O-N 3.18Å; L301-L305 HydrophobicContact CD1-CD1 4.02Å; L301-L305 HydrophobicContact CD1-CG 4.16Å; L301-L305 HydrophobicContact CG-CD1 4.05Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.38Å; L301-L305 PolarHBondContact O-N 3.16Å
302	A	98.1	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58	-49.4	177.2	0	0	0	0	0	111.7	L140 V294 N298 Q299 L304 L305 M306	L140-A302 HydrophobicContact CD1-CB 4.33Å; L140-A302 HydrophobicContact CD2-CB 4Å; V294-A302 HydrophobicContact CG1-CB 4.22Å; V294-A302 HydrophobicContact CG2-CB 4.09Å; N298-A302 PolarHBondContact O-N 2.87Å; Q299-A302 PolarHBondContact O-N 2.96Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 2.77Å; A302-L305 PolarHBondContact O-N 2.94Å; A302-M306 VanDerWaalsContact O-CG 3.27Å; A302-M306 WeakPolarHBondContact O-CG 3.41Å; A302-M306 PolarHBondContact O-N 3.48Å
303	L	98.3	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-35.5	-178.7	-66	168	0	0	0	112.3	Q299 S300 L301 M306 T307 L318 T325 L329 I332 F340 M360	Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.22Å; Q299-L303 WeakPolarHBondContact O-CG 3.48Å; Q299-L303 PolarHBondContact O-N 3.4Å; S300-L303 PolarHBondContact O-N 2.85Å; L301-L303 PolarHBondContact O-N 2.76Å; L303-M306 HydrophobicContact CD2-SD 4.2Å; L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 PolarHBondContact O-N 2.63Å; L303-T307 PolarHBondContact O-OG1 3.19Å; L303-L318 HydrophobicContact CD1-CD1 4.45Å; L303-L318 HydrophobicContact CD2-CD1 4.38Å; L303-L318 HydrophobicContact CG-CD1 4.48Å; L303-T325 HydrophobicContact CD1-CG2 3.41Å; L303-T325 VanDerWaalsContact CD1-CG2 3.41Å; L303-L329 HydrophobicContact CD1-CD2 3.87Å; L303-L329 HydrophobicContact CD1-CG 4.1Å; L303-L329 HydrophobicContact CD2-CD2 4.37Å; L303-I332 HydrophobicContact CB-CD1 4.21Å; L303-F340 HydrophobicContact CB-CZ 4.13Å; L303-F340 HydrophobicContact CD2-CD1 3.86Å; L303-F340 HydrophobicContact CD2-CE1 3.42Å; L303-F340 VanDerWaalsContact CD2-CE1 3.42Å; L303-F340 HydrophobicContact CD2-CZ 3.82Å; L303-M360 HydrophobicContact CD2-CB 4.07Å; L303-M360 HydrophobicContact CD2-CE 3.94Å; L303-M360 HydrophobicContact CD2-CG 4.15Å
304	L	98.4	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-49.2	173.3	-177.8	61.9	0	0	0	111.2	L23 L26 M105 S300 L301 A302 M306 T307 L308 F328	L23-L304 HydrophobicContact CD2-CD1 3.66Å; L26-L304 HydrophobicContact CD1-CD1 4.12Å; L26-L304 HydrophobicContact CD1-CD2 3.86Å; L26-L304 HydrophobicContact CD1-CG 4.46Å; M105-L304 HydrophobicContact CB-CD2 3.51Å; M105-L304 HydrophobicContact CG-CD2 3.54Å; M105-L304 HydrophobicContact SD-CD2 3.78Å; S300-L304 WeakPolarHBondContact O-CB 3.35Å; S300-L304 PolarHBondContact O-N 3.24Å; L301-L304 PolarHBondContact O-N 3.18Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-L304 PolarHBondContact O-N 2.77Å; L304-M306 VanDerWaalsContact C-N 3.3Å; L304-M306 PolarHBondContact O-N 3.44Å; L304-T307 WeakPolarHBondContact O-CB 3.08Å; L304-T307 PolarHBondContact O-N 3.4Å; L304-T307 VanDerWaalsContact O-N 3.1Å; L304-L308 HydrophobicContact CD1-CD1 3.77Å; L304-L308 HydrophobicContact CD1-CG 4.08Å; L304-L308 HydrophobicContact CD2-CD1 4.5Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CG 3.2Å; L304-L308 PolarHBondContact O-N 3.03Å; L304-F328 HydrophobicContact CB-CE1 3.87Å; L304-F328 HydrophobicContact CB-CZ 3.88Å; L304-F328 HydrophobicContact CD1-CZ 4.16Å; L304-F328 HydrophobicContact CD2-CZ 4.4Å; L304-F328 HydrophobicContact CG-CZ 4.37Å
305	L	98	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-33.8	-177.9	-61.7	171.7	0	0	0	111.7	M141 F144 I146 I178 L301 A302 L308 G309	M141-L305 HydrophobicContact CG-CD1 4Å; F144-L305 HydrophobicContact CB-CD1 4.25Å; F144-L305 HydrophobicContact CD1-CB 3.57Å; F144-L305 HydrophobicContact CD2-CB 3.92Å; F144-L305 HydrophobicContact CD2-CD1 3.52Å; F144-L305 HydrophobicContact CD2-CG 4.38Å; F144-L305 HydrophobicContact CE1-CB 3.58Å; F144-L305 HydrophobicContact CE2-CB 3.95Å; F144-L305 HydrophobicContact CE2-CD1 3.94Å; F144-L305 HydrophobicContact CG-CB 3.74Å; F144-L305 HydrophobicContact CG-CD1 3.87Å; F144-L305 HydrophobicContact CG-CG 4.41Å; F144-L305 HydrophobicContact CZ-CB 3.78Å; I146-L305 HydrophobicContact CD1-CD2 3.98Å; I178-L305 HydrophobicContact CD1-CD2 3.44Å; I178-L305 VanDerWaalsContact CD1-CD2 3.44Å; L301-L305 HydrophobicContact CD1-CD1 4.02Å; L301-L305 HydrophobicContact CD1-CG 4.16Å; L301-L305 HydrophobicContact CG-CD1 4.05Å; L301-L305 VanDerWaalsContact O-CG 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.38Å; L301-L305 PolarHBondContact O-N 3.16Å; A302-L305 PolarHBondContact O-N 2.94Å; L305-L308 CarbonylContact O-C 3.49Å; L305-G309 PolarHBondContact O-N 2.97Å
306	M	98.1	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-44.8	169.7	-65.7	169.3	71.9	0	0	111.7	F144 V181 A302 L303 L304 L308 G309 S314 V316 F340 G364	F144-M306 HydrophobicContact CE1-CG 3.89Å; F144-M306 HydrophobicContact CZ-CG 3.83Å; V181-M306 HydrophobicContact CG2-CG 4.44Å; A302-M306 VanDerWaalsContact O-CG 3.27Å; A302-M306 WeakPolarHBondContact O-CG 3.41Å; A302-M306 PolarHBondContact O-N 3.48Å; L303-M306 HydrophobicContact CD2-SD 4.2Å; L304-M306 VanDerWaalsContact C-N 3.3Å; L304-M306 PolarHBondContact O-N 3.44Å; M306-L308 VanDerWaalsContact C-N 3.34Å; M306-L308 PolarHBondContact O-N 2.94Å; M306-G309 PolarHBondContact O-N 3.33Å; M306-S314 VanDerWaalsContact CE-O 3.3Å; M306-S314 WeakPolarHBondContact CE-O 3.11Å; M306-V316 HydrophobicContact CE-CB 4.33Å; M306-V316 HydrophobicContact CE-CG2 4.04Å; M306-V316 HydrophobicContact CG-CG2 4.24Å; M306-V316 HydrophobicContact SD-CB 3.88Å; M306-V316 HydrophobicContact SD-CG2 3.41Å; M306-V316 WeakPolarHBondContact SD-CG2 3.23Å; M306-F340 HydrophobicContact CB-CE1 4.34Å; M306-F340 HydrophobicContact CB-CZ 4.42Å; M306-F340 HydrophobicContact CE-CD1 4.46Å; M306-F340 HydrophobicContact CE-CE1 3.84Å; M306-F340 HydrophobicContact SD-CE1 4.08Å; M306-G364 WeakPolarHBondContact O-CA 3.18Å
307	T	97.9	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-43	178.8	-58.9	0	0	0	0	111.3	L303 L304 G309 I332 F336 I338 F340 G364 V365	L303-T307 WeakPolarHBondContact O-CB 3.29Å; L303-T307 PolarHBondContact O-N 2.63Å; L303-T307 PolarHBondContact O-OG1 3.19Å; L304-T307 WeakPolarHBondContact O-CB 3.08Å; L304-T307 PolarHBondContact O-N 3.4Å; L304-T307 VanDerWaalsContact O-N 3.1Å; T307-G309 PolarHBondContact O-N 3.38Å; T307-I332 HydrophobicContact CG2-CG2 3.78Å; T307-F336 HydrophobicContact CG2-CB 3.88Å; T307-F336 HydrophobicContact CG2-CD2 4.15Å; T307-F336 HydrophobicContact CG2-CG 3.93Å; T307-I338 HydrophobicContact CG2-CB 4.24Å; T307-I338 HydrophobicContact CG2-CG1 4.12Å; T307-F340 WeakPolarHBondContact OG1-CZ 3.22Å; T307-G364 CarbonylContact O-C 3.59Å; T307-G364 WeakPolarHBondContact O-CA 3.3Å; T307-V365 HydrophobicContact CG2-CG1 4.26Å; T307-V365 WeakPolarHBondContact O-CG2 3.42Å; T307-V365 PolarHBondContact O-N 3.29Å
308	L	96.8	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.8	179.1	-58.3	178	0	0	0	113.3	L26 F109 L304 L305 M306 F336 V365 Y367	L26-L308 HydrophobicContact CD1-CD1 4.01Å; L26-L308 HydrophobicContact CD2-CD1 4.24Å; F109-L308 HydrophobicContact CD2-CD1 4.37Å; F109-L308 HydrophobicContact CE1-CB 4.43Å; F109-L308 HydrophobicContact CE1-CD1 4.45Å; F109-L308 HydrophobicContact CE2-CD1 3.47Å; F109-L308 VanDerWaalsContact CE2-CD1 3.47Å; F109-L308 HydrophobicContact CZ-CB 3.84Å; F109-L308 HydrophobicContact CZ-CD1 3.48Å; F109-L308 VanDerWaalsContact CZ-CD1 3.48Å; F109-L308 HydrophobicContact CZ-CG 4.32Å; L304-L308 HydrophobicContact CD1-CD1 3.77Å; L304-L308 HydrophobicContact CD1-CG 4.08Å; L304-L308 HydrophobicContact CD2-CD1 4.5Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CG 3.2Å; L304-L308 PolarHBondContact O-N 3.03Å; L305-L308 CarbonylContact O-C 3.49Å; M306-L308 VanDerWaalsContact C-N 3.34Å; M306-L308 PolarHBondContact O-N 2.94Å; L308-F336 HydrophobicContact CD2-CD1 4.2Å; L308-F336 HydrophobicContact CD2-CE1 3.53Å; L308-F336 HydrophobicContact CD2-CE2 4.43Å; L308-F336 HydrophobicContact CD2-CZ 3.67Å; L308-V365 HydrophobicContact CD2-CG2 4.45Å; L308-Y367 HydrophobicContact CB-CD1 4.49Å; L308-Y367 HydrophobicContact CB-CG 4.29Å; L308-Y367 HydrophobicContact CD2-CD1 4.38Å; L308-Y367 HydrophobicContact CD2-CD2 3.74Å; L308-Y367 HydrophobicContact CD2-CE2 4.28Å; L308-Y367 HydrophobicContact CD2-CG 3.78Å; L308-Y367 WeakPolarHBondContact O-CB 3.26Å
309	G	94.3	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-66.3	173.2	174.9	0	0	0	0	0	112.6	L305 M306 T307 G366 Y367	L305-G309 PolarHBondContact O-N 2.97Å; M306-G309 PolarHBondContact O-N 3.33Å; T307-G309 PolarHBondContact O-N 3.38Å; G309-G366 WeakPolarHBondContact O-CA 3.36Å; G309-G366 PolarHBondContact O-N 3.09Å; G309-Y367 PolarHBondContact O-N 3.06Å
310	Q	93.4	Very high	96.7	Very high	83 Å²	83	25 Å²	25	39%	0.388	13%	0.128	S	C	.	.			trans	-57.5	164.6	164.6	-67.9	175.3	-57	0	0	111.1	T177 I178 D312 G364	T177-Q310 HydrophobicContact CG2-CG 4.44Å; I178-Q310 PolarHBondContact O-N 3.48Å; Q310-D312 PolarHBondContact O-N 3.04Å; Q310-G364 VanDerWaalsContact O-CA 3.32Å; Q310-G364 WeakPolarHBondContact O-CA 3.37Å; Q310-G364 PolarHBondContact O-N 2.94Å
311	Q	93.8	Very high	96.5	Very high	158 Å²	158	26.8 Å²	26.8	74%	0.738	14%	0.137	S	C	*	.	S	Bend	trans	-71.9	65	176.7	-67.8	-176.8	-20.1	0	0	111.4
312	D	95.8	Very high	96.3	Very high	89 Å²	89	27.9 Å²	27.9	48%	0.476	15%	0.145	S	C	.	.	S	Bend	trans	-143.2	159.8	179.4	-165.6	6.3	0	0	0	109.1	P180 Q310 S314 V363 G364	P180-D312 HydrophobicContact CB-CB 4.13Å; P180-D312 HydrophobicContact CG-CB 3.94Å; Q310-D312 PolarHBondContact O-N 3.04Å; D312-S314 PolarHBondContact O-N 2.82Å; D312-V363 WeakPolarHBondContact O-CA 3.39Å; D312-G364 PolarHBondContact O-N 3.44Å
313	V	96.9	Very high	96.2	Very high	51 Å²	51	32.8 Å²	32.8	31%	0.309	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.1	-176.5	-178.2	0	0	0	0	109.5	Q182 K315 T361 C362 V363	Q182-V313 PolarHBondContact NE2-O 3.46Å; V313-K315 HydrophobicContact CG1-CG 4.13Å; V313-T361 HydrophobicContact CG1-CG2 3.63Å; V313-C362 WeakPolarHBondContact CA-O 3.31Å; V313-V363 HydrophobicContact CG2-CG2 4.02Å
314	S	97.9	Very high	96	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.3	164.7	-63.8	0	0	0	0	110.2	P180 V181 M306 D312 T361 C362	P180-S314 VanDerWaalsContact CA-OG 3.27Å; P180-S314 WeakPolarHBondContact CA-OG 3.32Å; P180-S314 WeakPolarHBondContact CB-OG 3.4Å; V181-S314 PolarHBondContact N-OG 3.16Å; V181-S314 CarbonylContact O-C 3.48Å; V181-S314 VanDerWaalsContact O-CA 3.28Å; V181-S314 WeakPolarHBondContact O-CA 3.23Å; M306-S314 VanDerWaalsContact CE-O 3.3Å; M306-S314 WeakPolarHBondContact CE-O 3.11Å; D312-S314 PolarHBondContact O-N 2.82Å; S314-T361 WeakPolarHBondContact O-CA 3.19Å; S314-C362 PolarHBondContact N-O 3.07Å; S314-C362 PolarHBondContact O-N 3Å; S314-C362 VanDerWaalsContact O-N 3.15Å
315	K	98.1	Very high	96	Very high	76 Å²	76	35.6 Å²	35.6	33%	0.33	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133	173.4	-58.1	-173.2	-179.7	177.5	0	110.4	V181 L183 T184 V313 L359 M360 T361	V181-K315 PolarHBondContact O-N 3.37Å; L183-K315 PolarHBondContact N-O 2.8Å; T184-K315 HydrophobicContact CG2-CB 3.84Å; T184-K315 HydrophobicContact CG2-CD 4.39Å; V313-K315 HydrophobicContact CG1-CG 4.13Å; K315-L359 HydrophobicContact CB-CD1 4.23Å; K315-M360 WeakPolarHBondContact CA-O 3.23Å; K315-T361 HydrophobicContact CG-CG2 4Å
316	V	97.8	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127	174.2	176.6	0	0	0	0	109	V181 L183 V294 M306 L318 M360	V181-V316 HydrophobicContact CG2-CG2 3.86Å; L183-V316 HydrophobicContact CB-CG1 4.4Å; L183-V316 HydrophobicContact CB-CG2 4.15Å; L183-V316 HydrophobicContact CD1-CG2 4.25Å; L183-V316 HydrophobicContact CG-CG2 4.39Å; L183-V316 CarbonylContact O-C 3.6Å; L183-V316 WeakPolarHBondContact O-CA 3.5Å; V294-V316 HydrophobicContact CG2-CG1 3.89Å; M306-V316 HydrophobicContact CE-CB 4.33Å; M306-V316 HydrophobicContact CE-CG2 4.04Å; M306-V316 HydrophobicContact CG-CG2 4.24Å; M306-V316 HydrophobicContact SD-CB 3.88Å; M306-V316 HydrophobicContact SD-CG2 3.41Å; M306-V316 WeakPolarHBondContact SD-CG2 3.23Å; V316-L318 HydrophobicContact CG1-CD2 3.47Å; V316-L318 VanDerWaalsContact CG1-CD2 3.47Å; V316-L318 HydrophobicContact CG1-CG 4.03Å; V316-M360 PolarHBondContact N-O 2.96Å; V316-M360 PolarHBondContact O-N 3.02Å
317	L	96.4	Very high	95.9	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.2	169.2	-169.7	70.9	0	0	0	108.9	L183 T184 G292 C293 Q345 K357 L359	L183-L317 PolarHBondContact O-N 2.86Å; T184-L317 WeakPolarHBondContact O-CD2 3.49Å; G292-L317 WeakPolarHBondContact CA-O 3.19Å; C293-L317 PolarHBondContact N-O 2.89Å; L317-Q345 HydrophobicContact CD1-CG 4.34Å; L317-K357 HydrophobicContact CD1-CB 3.88Å; L317-K357 HydrophobicContact CD2-CB 4.39Å; L317-K357 HydrophobicContact CD2-CD 3.86Å; L317-K357 HydrophobicContact CG-CB 4.15Å; L317-K357 HydrophobicContact CG-CD 4.46Å; L317-L359 HydrophobicContact CB-CD1 4.48Å; L317-L359 HydrophobicContact CD1-CB 4.03Å; L317-L359 HydrophobicContact CD1-CD1 4.44Å
318	L	96.6	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	159.8	177	-59	-179.1	0	0	0	110.1	V294 Q299 L303 V316 L321 K357 V358 M360	V294-L318 HydrophobicContact CB-CD2 3.72Å; V294-L318 HydrophobicContact CG2-CD2 4.08Å; Q299-L318 HydrophobicContact CB-CD1 4.33Å; Q299-L318 HydrophobicContact CG-CD1 4.21Å; Q299-L318 HydrophobicContact CG-CD2 4.31Å; L303-L318 HydrophobicContact CD1-CD1 4.45Å; L303-L318 HydrophobicContact CD2-CD1 4.38Å; L303-L318 HydrophobicContact CG-CD1 4.48Å; V316-L318 HydrophobicContact CG1-CD2 3.47Å; V316-L318 VanDerWaalsContact CG1-CD2 3.47Å; V316-L318 HydrophobicContact CG1-CG 4.03Å; L318-L321 HydrophobicContact CB-CD2 4.47Å; L318-L321 HydrophobicContact CD1-CD2 3.8Å; L318-K357 CarbonylContact O-C 3.57Å; L318-K357 VanDerWaalsContact O-CA 3.31Å; L318-K357 WeakPolarHBondContact O-CA 3.4Å; L318-V358 PolarHBondContact N-O 3.37Å; L318-V358 PolarHBondContact O-N 3.02Å; L318-M360 HydrophobicContact CD1-CG 3.76Å; L318-M360 HydrophobicContact CG-CG 4.2Å
319	G	94.6	Very high	96	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-70	-167.9	158.1	0	0	0	0	0	111.6	R290 G291 L321	R290-G319 WeakPolarHBondContact O-CA 3.38Å; G291-G319 PolarHBondContact O-N 3.48Å; G319-L321 PolarHBondContact O-N 3Å
320	P	93.6	Very high	96.1	Very high	54 Å²	54	48 Å²	48	35%	0.351	24%	0.243	S	C	.	.	S	Bend	trans	-54.1	139	176.2	-25.6	35.4	0	0	0	112.1	Q299 S322 D356	Q299-P320 PolarHBondContact NE2-O 3.45Å; P320-S322 PolarHBondContact O-N 2.96Å; P320-D356 VanDerWaalsContact CD-O 3.24Å; P320-D356 WeakPolarHBondContact CD-O 3.4Å; P320-D356 WeakPolarHBondContact CG-O 3.31Å
321	L	94.9	Very high	96.3	Very high	38 Å²	38	44 Å²	44	20%	0.199	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.8	128.3	-178.1	-60.5	-176.4	0	0	0	110.7	L318 G319 T325 I326 L329 M360	L318-L321 HydrophobicContact CB-CD2 4.47Å; L318-L321 HydrophobicContact CD1-CD2 3.8Å; G319-L321 PolarHBondContact O-N 3Å; L321-T325 HydrophobicContact CD2-CG2 4.04Å; L321-I326 HydrophobicContact CB-CD1 4.32Å; L321-I326 HydrophobicContact CB-CG1 3.85Å; L321-I326 HydrophobicContact CD1-CG1 4.47Å; L321-L329 HydrophobicContact CD1-CD1 3.88Å; L321-M360 HydrophobicContact CD1-SD 4.43Å
322	S	93.9	Very high	96.5	Very high	30 Å²	30	36.5 Å²	36.5	21%	0.21	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-68.6	155.9	173	80.7	0	0	0	0	111.4	P320 Y324 T325 I326	P320-S322 PolarHBondContact O-N 2.96Å; S322-Y324 PolarHBondContact O-N 3.24Å; S322-Y324 PolarHBondContact OG-N 3.46Å; S322-T325 WeakPolarHBondContact O-CB 3.27Å; S322-T325 PolarHBondContact O-N 3.01Å; S322-T325 PolarHBondContact OG-N 3.02Å; S322-T325 PolarHBondContact OG-OG1 2.9Å; S322-I326 WeakPolarHBondContact O-CG1 3.42Å; S322-I326 PolarHBondContact O-N 3.43Å
323	P	94.9	Very high	96.6	Very high	103 Å²	103	37.6 Å²	37.6	67%	0.669	19%	0.186	S	C	*	.	H	α-helix	trans	-54.8	-34.3	171.6	-26.5	35.2	0	0	0	113	I326 E327	P323-I326 PolarHBondContact O-N 3.28Å; P323-E327 PolarHBondContact O-N 3.07Å; P323-E327 VanDerWaalsContact O-N 3.13Å
324	Y	94.9	Very high	96.6	Very high	58 Å²	58	37 Å²	37	23%	0.227	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-41.2	175.5	-172.9	-100.6	0	0	0	112.1	F16 R18 Q19 E101 S322 F328	F16-Y324 AromaticContact CD1-CD2 3.76Å; F16-Y324 HydrophobicContact CD1-CD2 3.76Å; F16-Y324 HydrophobicContact CD1-CE2 4.14Å; F16-Y324 AromaticContact CE1-CD2 3.86Å; F16-Y324 HydrophobicContact CE1-CD2 3.86Å; R18-Y324 PolarHBondContact NH2-OH 3.42Å; Q19-Y324 HydrophobicContact CG-CE1 4.44Å; Q19-Y324 HydrophobicContact CG-CE2 4.02Å; Q19-Y324 VanDerWaalsContact NE2-CE1 3.27Å; Q19-Y324 PolarHBondContact NE2-O 2.93Å; E101-Y324 WeakPolarHBondContact OE1-CE1 3.28Å; E101-Y324 PolarHBondContact OE1-OH 3.5Å; S322-Y324 PolarHBondContact O-N 3.24Å; S322-Y324 PolarHBondContact OG-N 3.46Å; Y324-F328 WeakPolarHBondContact O-CB 3.41Å; Y324-F328 PolarHBondContact O-N 3.12Å
325	T	96.8	Very high	96.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-40.4	176.7	-52.5	0	0	0	0	112.2	Q299 L303 L321 S322 E327 F328 L329	Q299-T325 HydrophobicContact CB-CG2 3.79Å; Q299-T325 WeakPolarHBondContact CB-OG1 3.25Å; Q299-T325 PolarHBondContact OE1-OG1 3.01Å; L303-T325 HydrophobicContact CD1-CG2 3.41Å; L303-T325 VanDerWaalsContact CD1-CG2 3.41Å; L321-T325 HydrophobicContact CD2-CG2 4.04Å; S322-T325 WeakPolarHBondContact O-CB 3.27Å; S322-T325 PolarHBondContact O-N 3.01Å; S322-T325 PolarHBondContact OG-N 3.02Å; S322-T325 PolarHBondContact OG-OG1 2.9Å; T325-E327 PolarHBondContact O-N 3.07Å; T325-F328 WeakPolarHBondContact O-CB 3.27Å; T325-F328 PolarHBondContact O-N 3.04Å; T325-L329 PolarHBondContact O-N 3.1Å
326	I	97.1	Very high	96.4	Very high	69 Å²	69	34.9 Å²	34.9	35%	0.354	17%	0.172	S	C	.	.	H	α-helix	trans	-61.3	-46.3	178.9	-67.4	166.9	0	0	0	110.3	L321 S322 P323 F328 L329 R330	L321-I326 HydrophobicContact CB-CD1 4.32Å; L321-I326 HydrophobicContact CB-CG1 3.85Å; L321-I326 HydrophobicContact CD1-CG1 4.47Å; S322-I326 WeakPolarHBondContact O-CG1 3.42Å; S322-I326 PolarHBondContact O-N 3.43Å; P323-I326 PolarHBondContact O-N 3.28Å; I326-F328 VanDerWaalsContact C-N 3.32Å; I326-L329 PolarHBondContact O-N 3.5Å; I326-R330 PolarHBondContact O-N 2.95Å
327	E	97.6	Very high	96.3	Very high	39 Å²	39	41.2 Å²	41.2	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-36.6	176.1	-165.8	68.7	-168.9	0	0	111.6	F16 P323 T325 L329 R330 H331	F16-E327 HydrophobicContact CD1-CB 4.16Å; F16-E327 HydrophobicContact CD1-CG 4.32Å; F16-E327 HydrophobicContact CD2-CB 4.11Å; F16-E327 HydrophobicContact CD2-CG 3.52Å; F16-E327 HydrophobicContact CE1-CB 3.95Å; F16-E327 HydrophobicContact CE1-CG 4.42Å; F16-E327 HydrophobicContact CE2-CB 3.85Å; F16-E327 HydrophobicContact CE2-CG 3.6Å; F16-E327 HydrophobicContact CG-CB 4.24Å; F16-E327 HydrophobicContact CG-CG 3.88Å; F16-E327 HydrophobicContact CZ-CB 3.76Å; F16-E327 HydrophobicContact CZ-CG 4.06Å; P323-E327 PolarHBondContact O-N 3.07Å; P323-E327 VanDerWaalsContact O-N 3.13Å; T325-E327 PolarHBondContact O-N 3.07Å; E327-L329 VanDerWaalsContact C-N 3.29Å; E327-L329 PolarHBondContact O-N 2.97Å; E327-R330 WeakPolarHBondContact O-CB 3.22Å; E327-R330 PolarHBondContact O-N 3.05Å; E327-R330 VanDerWaalsContact O-N 3.08Å; E327-R330 VanDerWaalsContact OE2-CD 3.31Å; E327-R330 WeakPolarHBondContact OE2-CD 3.35Å; E327-R330 IonicContact OE2-CZ 3.92Å; E327-R330 IonicContact OE2-NE 3.23Å; E327-R330 IonicContact OE2-NH1 3.5Å; E327-R330 PolarHBondContact OE2-NH1 3.07Å; E327-H331 PolarHBondContact O-N 2.89Å; E327-H331 PolarHBondContact O-ND1 2.91Å; E327-H331 IonicContact OE1-NE2 2.76Å
328	F	97.9	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-40.4	175.3	-166.4	-110.5	0	0	0	112.3	Q19 L23 S300 L304 Y324 T325 I326 R330 H331 I332	Q19-F328 HydrophobicContact CB-CD2 3.93Å; Q19-F328 HydrophobicContact CB-CE2 4.22Å; Q19-F328 HydrophobicContact CG-CD2 3.72Å; Q19-F328 HydrophobicContact CG-CE2 4.23Å; L23-F328 HydrophobicContact CD1-CD2 4.13Å; L23-F328 HydrophobicContact CD1-CE2 3.79Å; L23-F328 HydrophobicContact CD1-CZ 4.45Å; L23-F328 HydrophobicContact CD2-CE2 3.97Å; L23-F328 HydrophobicContact CD2-CZ 3.91Å; L23-F328 HydrophobicContact CG-CE2 4Å; L23-F328 HydrophobicContact CG-CZ 4.44Å; S300-F328 WeakPolarHBondContact O-CE1 3.46Å; L304-F328 HydrophobicContact CB-CE1 3.87Å; L304-F328 HydrophobicContact CB-CZ 3.88Å; L304-F328 HydrophobicContact CD1-CZ 4.16Å; L304-F328 HydrophobicContact CD2-CZ 4.4Å; L304-F328 HydrophobicContact CG-CZ 4.37Å; Y324-F328 WeakPolarHBondContact O-CB 3.41Å; Y324-F328 PolarHBondContact O-N 3.12Å; T325-F328 WeakPolarHBondContact O-CB 3.27Å; T325-F328 PolarHBondContact O-N 3.04Å; I326-F328 VanDerWaalsContact C-N 3.32Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 2.8Å; F328-H331 PolarHBondContact O-N 2.82Å; F328-I332 HydrophobicContact CD1-CD1 3.71Å; F328-I332 HydrophobicContact CD1-CG1 4.15Å; F328-I332 HydrophobicContact CE1-CD1 3.6Å; F328-I332 HydrophobicContact CE1-CG1 4Å; F328-I332 HydrophobicContact CZ-CG1 4.5Å; F328-I332 WeakPolarHBondContact O-CG1 3.2Å; F328-I332 PolarHBondContact O-N 3.22Å
329	L	98.1	Very high	96.2	Very high	24 Å²	24	49.7 Å²	49.7	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-39.4	174.2	-74.5	168.6	0	0	0	112.6	L303 L321 T325 I326 E327 I332 R333 F340 I342 M360	L303-L329 HydrophobicContact CD1-CD2 3.87Å; L303-L329 HydrophobicContact CD1-CG 4.1Å; L303-L329 HydrophobicContact CD2-CD2 4.37Å; L321-L329 HydrophobicContact CD1-CD1 3.88Å; T325-L329 PolarHBondContact O-N 3.1Å; I326-L329 PolarHBondContact O-N 3.5Å; E327-L329 VanDerWaalsContact C-N 3.29Å; E327-L329 PolarHBondContact O-N 2.97Å; L329-I332 PolarHBondContact O-N 3.31Å; L329-R333 PolarHBondContact O-N 3.06Å; L329-F340 HydrophobicContact CD2-CB 4.38Å; L329-F340 HydrophobicContact CD2-CD2 3.43Å; L329-F340 VanDerWaalsContact CD2-CD2 3.43Å; L329-F340 HydrophobicContact CD2-CE2 3.82Å; L329-F340 HydrophobicContact CD2-CG 3.91Å; L329-I342 HydrophobicContact CD1-CD1 4.45Å; L329-M360 HydrophobicContact CD1-CE 3.72Å; L329-M360 HydrophobicContact CD2-CE 3.87Å; L329-M360 HydrophobicContact CG-CE 4.45Å
330	R	97.8	Very high	96.3	Very high	127 Å²	127	50.8 Å²	50.8	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-45.4	174.7	-66.2	172	179	159.8	-2.6	110.8	I326 E327 F328 I332 R333 D334	I326-R330 PolarHBondContact O-N 2.95Å; E327-R330 WeakPolarHBondContact O-CB 3.22Å; E327-R330 PolarHBondContact O-N 3.05Å; E327-R330 VanDerWaalsContact O-N 3.08Å; E327-R330 VanDerWaalsContact OE2-CD 3.31Å; E327-R330 WeakPolarHBondContact OE2-CD 3.35Å; E327-R330 IonicContact OE2-CZ 3.92Å; E327-R330 IonicContact OE2-NE 3.23Å; E327-R330 IonicContact OE2-NH1 3.5Å; E327-R330 PolarHBondContact OE2-NH1 3.07Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 2.8Å; R330-I332 PolarHBondContact O-N 3.27Å; R330-R333 WeakPolarHBondContact O-CB 3.36Å; R330-R333 PolarHBondContact O-N 2.93Å; R330-D334 VanDerWaalsContact O-CG 3.27Å; R330-D334 PolarHBondContact O-N 2.97Å
331	H	97.9	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-42.6	174.9	-63.9	144.6	0	0	0	111.7	Y11 Q19 R20 L23 E327 F328 R333 D334 F335	Y11-H331 AromaticContact CE1-CD2 3.65Å; Y11-H331 AromaticContact CE1-NE2 3.86Å; Y11-H331 AromaticContact CZ-CD2 3.84Å; Q19-H331 PolarHBondContact OE1-ND1 3.41Å; R20-H331 PolarHBondContact NE-NE2 3.2Å; L23-H331 HydrophobicContact CD1-CB 3.35Å; E327-H331 PolarHBondContact O-N 2.89Å; E327-H331 PolarHBondContact O-ND1 2.91Å; E327-H331 IonicContact OE1-NE2 2.76Å; F328-H331 PolarHBondContact O-N 2.82Å; H331-R333 VanDerWaalsContact C-N 3.27Å; H331-R333 PolarHBondContact O-N 3.25Å; H331-D334 PolarHBondContact O-N 2.98Å; H331-F335 HydrophobicContact CB-CD2 4.16Å; H331-F335 HydrophobicContact CB-CE2 4.32Å; H331-F335 WeakPolarHBondContact O-CD2 3.45Å; H331-F335 PolarHBondContact O-N 2.87Å
332	I	97.8	Very high	96.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-45.7	175.4	-73.6	174	0	0	0	110.7	L23 L303 T307 F328 L329 R330 D334 F335 F336 Q337 I338 F340	L23-I332 HydrophobicContact CD2-CG1 4.45Å; L303-I332 HydrophobicContact CB-CD1 4.21Å; T307-I332 HydrophobicContact CG2-CG2 3.78Å; F328-I332 HydrophobicContact CD1-CD1 3.71Å; F328-I332 HydrophobicContact CD1-CG1 4.15Å; F328-I332 HydrophobicContact CE1-CD1 3.6Å; F328-I332 HydrophobicContact CE1-CG1 4Å; F328-I332 HydrophobicContact CZ-CG1 4.5Å; F328-I332 WeakPolarHBondContact O-CG1 3.2Å; F328-I332 PolarHBondContact O-N 3.22Å; L329-I332 PolarHBondContact O-N 3.31Å; R330-I332 PolarHBondContact O-N 3.27Å; I332-D334 VanDerWaalsContact C-N 3.35Å; I332-D334 PolarHBondContact O-N 3.17Å; I332-F335 PolarHBondContact O-N 3.05Å; I332-F336 WeakPolarHBondContact O-CA 3.26Å; I332-F336 WeakPolarHBondContact O-CB 3.38Å; I332-F336 PolarHBondContact O-N 3.35Å; I332-Q337 PolarHBondContact O-N 3.45Å; I332-I338 HydrophobicContact CG2-CB 4.16Å; I332-F340 HydrophobicContact CD1-CE2 4.12Å; I332-F340 HydrophobicContact CG2-CE2 4.19Å
333	R	97.1	Very high	96.6	Very high	112 Å²	112	58.6 Å²	58.6	42%	0.423	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-47.6	175.4	-178.7	-161.7	64.5	-164.6	-4.8	110.9	L329 R330 H331 F335 Q337 I338 M339	L329-R333 PolarHBondContact O-N 3.06Å; R330-R333 WeakPolarHBondContact O-CB 3.36Å; R330-R333 PolarHBondContact O-N 2.93Å; H331-R333 VanDerWaalsContact C-N 3.27Å; H331-R333 PolarHBondContact O-N 3.25Å; R333-F335 PolarHBondContact O-N 2.84Å; R333-Q337 WeakPolarHBondContact O-CA 3.19Å; R333-Q337 VanDerWaalsContact O-CD 3.32Å; R333-Q337 PolarHBondContact O-N 3.33Å; R333-Q337 PolarHBondContact O-NE2 3.45Å; R333-I338 WeakPolarHBondContact CA-O 3.46Å; R333-M339 HydrophobicContact CG-CG 4.21Å
334	D	96.9	Very high	96.5	Very high	40 Å²	40	58 Å²	58	21%	0.214	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-41.9	-176.4	-60.2	-10.1	0	0	0	111.9	K29 R330 H331 I332 Q337	K29-D334 PolarHBondContact NZ-O 2.92Å; K29-D334 VanDerWaalsContact NZ-O 3.1Å; R330-D334 VanDerWaalsContact O-CG 3.27Å; R330-D334 PolarHBondContact O-N 2.97Å; H331-D334 PolarHBondContact O-N 2.98Å; I332-D334 VanDerWaalsContact C-N 3.35Å; I332-D334 PolarHBondContact O-N 3.17Å; D334-Q337 PolarHBondContact O-NE2 3.2Å
335	F	96.8	Very high	95.8	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-79.6	-43.8	-178.5	-76.1	-80.6	0	0	0	113.8	L9 Y11 R20 L23 S27 K29 V31 H331 I332 R333	L9-F335 HydrophobicContact CD1-CD1 3.43Å; L9-F335 VanDerWaalsContact CD1-CD1 3.43Å; L9-F335 HydrophobicContact CD1-CD2 4.12Å; L9-F335 HydrophobicContact CD1-CE1 3.41Å; L9-F335 VanDerWaalsContact CD1-CE1 3.41Å; L9-F335 HydrophobicContact CD1-CE2 4.08Å; L9-F335 HydrophobicContact CD1-CG 3.82Å; L9-F335 HydrophobicContact CD1-CZ 3.74Å; Y11-F335 AromaticContact CE2-CE2 3.96Å; Y11-F335 HydrophobicContact CE2-CE2 3.96Å; Y11-F335 AromaticContact CE2-CZ 3.88Å; Y11-F335 HydrophobicContact CE2-CZ 3.88Å; Y11-F335 AromaticContact CZ-CE2 3.98Å; Y11-F335 VanDerWaalsContact OH-CE2 3.28Å; Y11-F335 WeakPolarHBondContact OH-CE2 3.45Å; R20-F335 WeakPolarHBondContact O-CZ 3.4Å; L23-F335 HydrophobicContact CB-CB 4.24Å; L23-F335 HydrophobicContact CB-CD1 4.17Å; L23-F335 HydrophobicContact CB-CD2 3.54Å; L23-F335 HydrophobicContact CB-CE1 4.4Å; L23-F335 HydrophobicContact CB-CE2 3.85Å; L23-F335 HydrophobicContact CB-CG 3.73Å; L23-F335 HydrophobicContact CB-CZ 4.26Å; L23-F335 HydrophobicContact CD1-CD2 3.88Å; L23-F335 HydrophobicContact CD1-CE2 4.26Å; L23-F335 HydrophobicContact CG-CD2 4.35Å; S27-F335 VanDerWaalsContact OG-CD1 3.32Å; S27-F335 WeakPolarHBondContact OG-CD1 3.44Å; K29-F335 HydrophobicContact CB-CD1 4.25Å; K29-F335 HydrophobicContact CB-CE1 4.5Å; K29-F335 HydrophobicContact CD-CD1 4.38Å; K29-F335 WeakPolarHBondContact CE-O 3.2Å; K29-F335 PolarHBondContact NZ-O 2.92Å; V31-F335 HydrophobicContact CG2-CE1 3.55Å; V31-F335 HydrophobicContact CG2-CZ 3.47Å; V31-F335 VanDerWaalsContact CG2-CZ 3.47Å; H331-F335 HydrophobicContact CB-CD2 4.16Å; H331-F335 HydrophobicContact CB-CE2 4.32Å; H331-F335 WeakPolarHBondContact O-CD2 3.45Å; H331-F335 PolarHBondContact O-N 2.87Å; I332-F335 PolarHBondContact O-N 3.05Å; R333-F335 PolarHBondContact O-N 2.84Å
336	F	96.1	Very high	94.4	Very high	29 Å²	29	66.5 Å²	66.5	13%	0.127	31%	0.314	C	S	.	.	H	α-helix	trans	-112	-8.7	-172.2	-67.6	-79.5	0	0	0	114.3	L23 L26 T307 L308 I332 I338 V365	L23-F336 HydrophobicContact CD2-CD2 4.38Å; L23-F336 HydrophobicContact CD2-CE2 3.75Å; L26-F336 HydrophobicContact CB-CZ 3.88Å; T307-F336 HydrophobicContact CG2-CB 3.88Å; T307-F336 HydrophobicContact CG2-CD2 4.15Å; T307-F336 HydrophobicContact CG2-CG 3.93Å; L308-F336 HydrophobicContact CD2-CD1 4.2Å; L308-F336 HydrophobicContact CD2-CE1 3.53Å; L308-F336 HydrophobicContact CD2-CE2 4.43Å; L308-F336 HydrophobicContact CD2-CZ 3.67Å; I332-F336 WeakPolarHBondContact O-CA 3.26Å; I332-F336 WeakPolarHBondContact O-CB 3.38Å; I332-F336 PolarHBondContact O-N 3.35Å; F336-I338 HydrophobicContact CB-CG1 4.24Å; F336-I338 PolarHBondContact O-N 3.27Å; F336-V365 HydrophobicContact CB-CG1 4.14Å; F336-V365 HydrophobicContact CD1-CG1 4.28Å
337	Q	95.4	Very high	92.7	Very high	133 Å²	133	66.1 Å²	66.1	62%	0.621	32%	0.315	S	S	*	.			trans	58.8	29.4	-177.3	-54.9	-64.3	-48	0	0	112.8	I332 R333 D334	I332-Q337 PolarHBondContact O-N 3.45Å; R333-Q337 WeakPolarHBondContact O-CA 3.19Å; R333-Q337 VanDerWaalsContact O-CD 3.32Å; R333-Q337 PolarHBondContact O-N 3.33Å; R333-Q337 PolarHBondContact O-NE2 3.45Å; D334-Q337 PolarHBondContact O-NE2 3.2Å
338	I	94.8	Very high	90.9	Very high	31 Å²	31	70.8 Å²	70.8	16%	0.159	34%	0.341	C	S	.	.			trans	-100.5	133.6	174.7	-65.4	-67.1	0	0	0	109.5	T307 I332 R333 F336 F340 C362 V365	T307-I338 HydrophobicContact CG2-CB 4.24Å; T307-I338 HydrophobicContact CG2-CG1 4.12Å; I332-I338 HydrophobicContact CG2-CB 4.16Å; R333-I338 WeakPolarHBondContact CA-O 3.46Å; F336-I338 HydrophobicContact CB-CG1 4.24Å; F336-I338 PolarHBondContact O-N 3.27Å; I338-F340 HydrophobicContact CG2-CD2 4.47Å; I338-F340 HydrophobicContact CG2-CE2 4.23Å; I338-C362 HydrophobicContact CG2-CB 4.08Å; I338-V365 HydrophobicContact CD1-CG1 3.73Å; I338-V365 HydrophobicContact CG1-CG1 3.36Å
339	M	94.9	Very high	88.9	Confident	151 Å²	151	79.3 Å²	79.3	74%	0.744	39%	0.386	S	S	*	.			trans	-114.6	135.6	171.3	-65.2	-171.4	-66.7	0	0	109	R333	R333-M339 HydrophobicContact CG-CG 4.21Å
340	F	97.5	Very high	86.7	Confident	25 Å²	25	85.9 Å²	85.9	11%	0.11	42%	0.422	C	S	.	.			trans	-86.3	136.9	173.7	-75.5	-103.9	0	0	0	109.4	L303 M306 T307 L329 I332 I338 I342 M360 T361 C362	L303-F340 HydrophobicContact CB-CZ 4.13Å; L303-F340 HydrophobicContact CD2-CD1 3.86Å; L303-F340 HydrophobicContact CD2-CE1 3.42Å; L303-F340 VanDerWaalsContact CD2-CE1 3.42Å; L303-F340 HydrophobicContact CD2-CZ 3.82Å; M306-F340 HydrophobicContact CB-CE1 4.34Å; M306-F340 HydrophobicContact CB-CZ 4.42Å; M306-F340 HydrophobicContact CE-CD1 4.46Å; M306-F340 HydrophobicContact CE-CE1 3.84Å; M306-F340 HydrophobicContact SD-CE1 4.08Å; T307-F340 WeakPolarHBondContact OG1-CZ 3.22Å; L329-F340 HydrophobicContact CD2-CB 4.38Å; L329-F340 HydrophobicContact CD2-CD2 3.43Å; L329-F340 VanDerWaalsContact CD2-CD2 3.43Å; L329-F340 HydrophobicContact CD2-CE2 3.82Å; L329-F340 HydrophobicContact CD2-CG 3.91Å; I332-F340 HydrophobicContact CD1-CE2 4.12Å; I332-F340 HydrophobicContact CG2-CE2 4.19Å; I338-F340 HydrophobicContact CG2-CD2 4.47Å; I338-F340 HydrophobicContact CG2-CE2 4.23Å; F340-I342 HydrophobicContact CB-CG1 4.32Å; F340-M360 HydrophobicContact CB-CE 3.66Å; F340-M360 HydrophobicContact CD1-CB 4.15Å; F340-M360 HydrophobicContact CD1-CE 3.95Å; F340-M360 HydrophobicContact CG-CE 3.88Å; F340-T361 CarbonylContact C-O 3.57Å; F340-T361 WeakPolarHBondContact CA-O 3.3Å; F340-C362 HydrophobicContact CD1-CB 3.64Å; F340-C362 HydrophobicContact CD2-CB 4.37Å; F340-C362 HydrophobicContact CE1-CB 3.58Å; F340-C362 WeakPolarHBondContact CE1-SG 3.28Å; F340-C362 HydrophobicContact CE2-CB 4.31Å; F340-C362 HydrophobicContact CG-CB 4.06Å; F340-C362 HydrophobicContact CZ-CB 3.92Å; F340-C362 VanDerWaalsContact CZ-SG 3.54Å
341	K	97.7	Very high	84.8	Confident	121 Å²	121	85.4 Å²	85.4	53%	0.526	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.3	160.2	-174.5	-175.3	-177.8	-161.8	0	107.4	E343 T361	K341-E343 WeakPolarHBondContact CE-OE1 3.5Å; K341-E343 HydrophobicContact CG-CG 4.34Å; K341-E343 IonicContact NZ-OE1 2.6Å; K341-E343 PolarHBondContact NZ-OE1 2.68Å; K341-T361 PolarHBondContact N-O 3.19Å; K341-T361 PolarHBondContact O-N 3.13Å
342	I	96.6	Very high	82.7	Confident	87 Å²	87	97.3 Å²	97.3	45%	0.446	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.6	-175.5	-55	-171.9	0	0	0	107.4	L329 F340 V358 M360	L329-I342 HydrophobicContact CD1-CD1 4.45Å; F340-I342 HydrophobicContact CB-CG1 4.32Å; I342-V358 HydrophobicContact CG2-CG1 3.28Å; I342-M360 HydrophobicContact CB-SD 4.31Å; I342-M360 HydrophobicContact CD1-CE 4Å; I342-M360 HydrophobicContact CD1-SD 4.25Å; I342-M360 HydrophobicContact CG1-CE 3.86Å; I342-M360 HydrophobicContact CG1-SD 3.81Å; I342-M360 HydrophobicContact CG2-SD 4.04Å
343	E	94.9	Very high	81	Confident	77 Å²	77	106.2 Å²	106.2	36%	0.36	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.8	177.4	-66	178.9	145.5	0	0	109.3	K341 Q345 L359	K341-E343 WeakPolarHBondContact CE-OE1 3.5Å; K341-E343 HydrophobicContact CG-CG 4.34Å; K341-E343 IonicContact NZ-OE1 2.6Å; K341-E343 PolarHBondContact NZ-OE1 2.68Å; E343-Q345 PolarHBondContact O-N 2.86Å; E343-L359 HydrophobicContact CB-CB 4.31Å; E343-L359 PolarHBondContact N-O 3.33Å; E343-L359 PolarHBondContact O-N 3.19Å
344	V	91.1	Very high	79.8	Confident	90 Å²	90	101.9 Å²	101.9	55%	0.545	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.9	174.5	-177.3	0	0	0	0	107.9	M346	V344-M346 PolarHBondContact O-N 3.48Å
345	Q	81.7	Confident	78.9	Confident	84 Å²	84	100.5 Å²	100.5	39%	0.393	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	106.3	171.4	-69.6	-171.2	-9.4	0	0	107.9	L317 E343 K357 L359	L317-Q345 HydrophobicContact CD1-CG 4.34Å; E343-Q345 PolarHBondContact O-N 2.86Å; Q345-K357 PolarHBondContact N-O 3.11Å; Q345-L359 HydrophobicContact CG-CB 4.44Å
346	M	66.5	Low	78.4	Confident	155 Å²	155	104.9 Å²	104.9	76%	0.764	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-71.2	137.5	168.7	-57.8	-167.9	103.1	0	0	108.3	V344 L348	V344-M346 PolarHBondContact O-N 3.48Å; M346-L348 PolarHBondContact O-N 2.93Å
347	P	62.2	Low	78.2	Confident	60 Å²	60	105.6 Å²	105.6	39%	0.39	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-57.6	131.2	174.6	8.2	-9.3	0	0	0	109.7
348	L	59.1	Low	78.1	Confident	138 Å²	138	99.9 Å²	99.9	72%	0.723	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-63.9	145.2	166.8	-71.9	160	0	0	0	108.3	M346 D350 E351	M346-L348 PolarHBondContact O-N 2.93Å; L348-D350 PolarHBondContact O-N 3.46Å; L348-E351 PolarHBondContact O-N 3.18Å
349	D	55.7	Low	78.2	Confident	178 Å²	178	99.1 Å²	99.1	95%	0.952	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-18.6	-170	-76.3	-38.5	0	0	0	115.5
350	D	52.3	Low	78.4	Confident	163 Å²	163	91.9 Å²	91.9	87%	0.872	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-8.6	-179.1	-98.4	-30.7	0	0	0	115.5	L348 R352	L348-D350 PolarHBondContact O-N 3.46Å; D350-R352 PolarHBondContact O-N 3.15Å
351	E	57.2	Low	78.4	Confident	116 Å²	116	91.7 Å²	91.7	54%	0.542	46%	0.457	S	S	.	.	S	Bend	trans	-88.3	109.3	176	-71.2	-160	164.5	0	0	110.6	L348 K353	L348-E351 PolarHBondContact O-N 3.18Å; E351-K353 PolarHBondContact O-N 3.34Å
352	R	54.8	Low	78.4	Confident	250 Å²	250	86.2 Å²	86.2	94%	0.943	43%	0.433	S	S	*	.			trans	-37.3	105.1	176.7	-66.4	178.1	-179	-179.8	-1.3	112.3	D350 G354	D350-R352 PolarHBondContact O-N 3.15Å; R352-G354 PolarHBondContact O-N 3.1Å
353	K	62	Low	78.4	Confident	187 Å²	187	85.7 Å²	85.7	81%	0.813	43%	0.434	S	S	*	.			trans	-2.4	82.5	168	-58.6	-175.6	-179.5	-176.3	0	114.7	Y289 E351	Y289-K353 WeakPolarHBondContact CE2-O 3.35Å; E351-K353 PolarHBondContact O-N 3.34Å
354	G	71.1	Confident	78.4	Confident	22 Å²	22	82.2 Å²	82.2	23%	0.227	42%	0.419	C	S	.	.			trans	-93	175.8	157.8	0	0	0	0	0	110.3	Y289 R352	Y289-G354 CarbonylContact O-C 3.54Å; Y289-G354 WeakPolarHBondContact O-CA 3.31Å; R352-G354 PolarHBondContact O-N 3.1Å
355	G	79.4	Confident	78.7	Confident	11 Å²	11	79.9 Å²	79.9	11%	0.113	41%	0.405	C	S	.	.			trans	-70.9	169.2	169.6	0	0	0	0	0	112.8	Y289 K357	Y289-G355 PolarHBondContact O-N 3.36Å; G355-K357 PolarHBondContact O-N 3.24Å
356	D	86.1	Confident	79.2	Confident	94 Å²	94	77.5 Å²	77.5	50%	0.503	40%	0.402	S	S	.	.			trans	-60.5	128.8	175.3	-64.9	-25.9	0	0	0	110.5	P320	P320-D356 VanDerWaalsContact CD-O 3.24Å; P320-D356 WeakPolarHBondContact CD-O 3.4Å; P320-D356 WeakPolarHBondContact CG-O 3.31Å
357	K	90.8	Very high	80.4	Confident	44 Å²	44	71.3 Å²	71.3	19%	0.191	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.4	178.1	-58.8	171.9	-160.5	152	0	109.5	L317 L318 Q345 G355	L317-K357 HydrophobicContact CD1-CB 3.88Å; L317-K357 HydrophobicContact CD2-CB 4.39Å; L317-K357 HydrophobicContact CD2-CD 3.86Å; L317-K357 HydrophobicContact CG-CB 4.15Å; L317-K357 HydrophobicContact CG-CD 4.46Å; L318-K357 CarbonylContact O-C 3.57Å; L318-K357 VanDerWaalsContact O-CA 3.31Å; L318-K357 WeakPolarHBondContact O-CA 3.4Å; Q345-K357 PolarHBondContact N-O 3.11Å; G355-K357 PolarHBondContact O-N 3.24Å
358	V	94.5	Very high	81.8	Confident	13 Å²	13	70.8 Å²	70.8	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.7	-176.6	-173.2	0	0	0	0	108.8	L318 I342 M360	L318-V358 PolarHBondContact N-O 3.37Å; L318-V358 PolarHBondContact O-N 3.02Å; I342-V358 HydrophobicContact CG2-CG1 3.28Å; V358-M360 HydrophobicContact CG1-CG 4.43Å; V358-M360 HydrophobicContact CG1-SD 3.66Å; V358-M360 PolarHBondContact O-N 3.46Å
359	L	96.8	Very high	83.2	Confident	15 Å²	15	64.5 Å²	64.5	8%	0.079	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112.2	172.9	-178.8	64.9	0	0	0	108.9	T184 K315 L317 E343 Q345	T184-L359 HydrophobicContact CG2-CD1 3.93Å; K315-L359 HydrophobicContact CB-CD1 4.23Å; L317-L359 HydrophobicContact CB-CD1 4.48Å; L317-L359 HydrophobicContact CD1-CB 4.03Å; L317-L359 HydrophobicContact CD1-CD1 4.44Å; E343-L359 HydrophobicContact CB-CB 4.31Å; E343-L359 PolarHBondContact N-O 3.33Å; E343-L359 PolarHBondContact O-N 3.19Å; Q345-L359 HydrophobicContact CG-CB 4.44Å
360	M	97.7	Very high	84.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.8	177.7	-59.5	-61.8	-71.5	0	0	109.2	L303 K315 V316 L318 L321 L329 F340 I342 V358	L303-M360 HydrophobicContact CD2-CB 4.07Å; L303-M360 HydrophobicContact CD2-CE 3.94Å; L303-M360 HydrophobicContact CD2-CG 4.15Å; K315-M360 WeakPolarHBondContact CA-O 3.23Å; V316-M360 PolarHBondContact N-O 2.96Å; V316-M360 PolarHBondContact O-N 3.02Å; L318-M360 HydrophobicContact CD1-CG 3.76Å; L318-M360 HydrophobicContact CG-CG 4.2Å; L321-M360 HydrophobicContact CD1-SD 4.43Å; L329-M360 HydrophobicContact CD1-CE 3.72Å; L329-M360 HydrophobicContact CD2-CE 3.87Å; L329-M360 HydrophobicContact CG-CE 4.45Å; F340-M360 HydrophobicContact CB-CE 3.66Å; F340-M360 HydrophobicContact CD1-CB 4.15Å; F340-M360 HydrophobicContact CD1-CE 3.95Å; F340-M360 HydrophobicContact CG-CE 3.88Å; I342-M360 HydrophobicContact CB-SD 4.31Å; I342-M360 HydrophobicContact CD1-CE 4Å; I342-M360 HydrophobicContact CD1-SD 4.25Å; I342-M360 HydrophobicContact CG1-CE 3.86Å; I342-M360 HydrophobicContact CG1-SD 3.81Å; I342-M360 HydrophobicContact CG2-SD 4.04Å; V358-M360 HydrophobicContact CG1-CG 4.43Å; V358-M360 HydrophobicContact CG1-SD 3.66Å; V358-M360 PolarHBondContact O-N 3.46Å
361	T	98	Very high	86.3	Confident	21 Å²	21	55 Å²	55	13%	0.129	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.2	176.6	-56.7	0	0	0	0	110.5	V313 S314 K315 F340 K341	V313-T361 HydrophobicContact CG1-CG2 3.63Å; S314-T361 WeakPolarHBondContact O-CA 3.19Å; K315-T361 HydrophobicContact CG-CG2 4Å; F340-T361 CarbonylContact C-O 3.57Å; F340-T361 WeakPolarHBondContact CA-O 3.3Å; K341-T361 PolarHBondContact N-O 3.19Å; K341-T361 PolarHBondContact O-N 3.13Å
362	C	97.4	Very high	87.3	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.6	168.7	74	0	0	0	0	111.1	V313 S314 I338 F340	V313-C362 WeakPolarHBondContact CA-O 3.31Å; S314-C362 PolarHBondContact N-O 3.07Å; S314-C362 PolarHBondContact O-N 3Å; S314-C362 VanDerWaalsContact O-N 3.15Å; I338-C362 HydrophobicContact CG2-CB 4.08Å; F340-C362 HydrophobicContact CD1-CB 3.64Å; F340-C362 HydrophobicContact CD2-CB 4.37Å; F340-C362 HydrophobicContact CE1-CB 3.58Å; F340-C362 WeakPolarHBondContact CE1-SG 3.28Å; F340-C362 HydrophobicContact CE2-CB 4.31Å; F340-C362 HydrophobicContact CG-CB 4.06Å; F340-C362 HydrophobicContact CZ-CB 3.92Å; F340-C362 VanDerWaalsContact CZ-SG 3.54Å
363	V	97.4	Very high	88.1	Confident	75 Å²	75	46.3 Å²	46.3	46%	0.455	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.5	164.7	-179.8	0	0	0	0	107.1	D312 V313	D312-V363 WeakPolarHBondContact O-CA 3.39Å; V313-V363 HydrophobicContact CG2-CG2 4.02Å
364	G	95.4	Very high	88.1	Confident	4 Å²	4	43.2 Å²	43.2	4%	0.041	26%	0.255	C	S	.	.			trans	-64.9	155	179.1	0	0	0	0	0	112.4	M306 T307 Q310 D312 G366	M306-G364 WeakPolarHBondContact O-CA 3.18Å; T307-G364 CarbonylContact O-C 3.59Å; T307-G364 WeakPolarHBondContact O-CA 3.3Å; Q310-G364 VanDerWaalsContact O-CA 3.32Å; Q310-G364 WeakPolarHBondContact O-CA 3.37Å; Q310-G364 PolarHBondContact O-N 2.94Å; D312-G364 PolarHBondContact O-N 3.44Å; G364-G366 PolarHBondContact O-N 2.69Å; G364-G366 VanDerWaalsContact O-N 3.16Å
365	V	95.8	Very high	86.9	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.255	30%	0.299	S	S	.	.			trans	-69.3	-10.3	179.6	-58.9	0	0	0	0	113.2	T307 L308 F336 I338 Y367	T307-V365 HydrophobicContact CG2-CG1 4.26Å; T307-V365 WeakPolarHBondContact O-CG2 3.42Å; T307-V365 PolarHBondContact O-N 3.29Å; L308-V365 HydrophobicContact CD2-CG2 4.45Å; F336-V365 HydrophobicContact CB-CG1 4.14Å; F336-V365 HydrophobicContact CD1-CG1 4.28Å; I338-V365 HydrophobicContact CD1-CG1 3.73Å; I338-V365 HydrophobicContact CG1-CG1 3.36Å; V365-Y367 HydrophobicContact CG2-CD2 4.49Å
366	G	92.8	Very high	87.3	Confident	33 Å²	33	56.9 Å²	56.9	34%	0.34	31%	0.308	S	S	.	.			trans	77.8	35.3	-169.3	0	0	0	0	0	112.1	G309 G364 S368	G309-G366 WeakPolarHBondContact O-CA 3.36Å; G309-G366 PolarHBondContact O-N 3.09Å; G364-G366 PolarHBondContact O-N 2.69Å; G364-G366 VanDerWaalsContact O-N 3.16Å; G366-S368 PolarHBondContact O-N 3.23Å; G366-S368 VanDerWaalsContact O-N 3.12Å
367	Y	92.3	Very high	87.3	Confident	26 Å²	26	54.9 Å²	54.9	10%	0.102	30%	0.298	C	S	.	.			trans	-63.2	118.6	-175.8	-168.2	-96.3	0	0	0	110	L26 F109 L308 G309 V365	L26-Y367 WeakPolarHBondContact O-CE2 3.26Å; L26-Y367 PolarHBondContact O-OH 3.18Å; L26-Y367 VanDerWaalsContact O-OH 3.08Å; F109-Y367 HydrophobicContact CB-CE1 4.14Å; F109-Y367 AromaticContact CD1-CD1 3.69Å; F109-Y367 HydrophobicContact CD1-CD1 3.69Å; F109-Y367 AromaticContact CD1-CE1 3.46Å; F109-Y367 HydrophobicContact CD1-CE1 3.46Å; F109-Y367 VanDerWaalsContact CD1-CE1 3.46Å; F109-Y367 AromaticContact CE1-CD1 3.63Å; F109-Y367 HydrophobicContact CE1-CD1 3.63Å; F109-Y367 AromaticContact CE1-CE1 3.86Å; F109-Y367 HydrophobicContact CE1-CE1 3.86Å; F109-Y367 HydrophobicContact CG-CD1 4.44Å; F109-Y367 AromaticContact CG-CE1 3.82Å; F109-Y367 HydrophobicContact CG-CE1 3.82Å; F109-Y367 HydrophobicContact CZ-CD1 4.36Å; L308-Y367 HydrophobicContact CB-CD1 4.49Å; L308-Y367 HydrophobicContact CB-CG 4.29Å; L308-Y367 HydrophobicContact CD2-CD1 4.38Å; L308-Y367 HydrophobicContact CD2-CD2 3.74Å; L308-Y367 HydrophobicContact CD2-CE2 4.28Å; L308-Y367 HydrophobicContact CD2-CG 3.78Å; L308-Y367 WeakPolarHBondContact O-CB 3.26Å; G309-Y367 PolarHBondContact O-N 3.06Å; V365-Y367 HydrophobicContact CG2-CD2 4.49Å
368	S	90.7	Very high	87.1	Confident	49 Å²	49	55.6 Å²	55.6	34%	0.343	30%	0.304	S	S	.	.			trans	-108	129.9	169.9	179.3	0	0	0	0	107.9	K176 G366 I370	K176-S368 WeakPolarHBondContact O-CA 3.3Å; G366-S368 PolarHBondContact O-N 3.23Å; G366-S368 VanDerWaalsContact O-N 3.12Å; S368-I370 WeakPolarHBondContact O-CG2 3.2Å; S368-I370 PolarHBondContact O-N 2.96Å
369	N	88.7	Confident	86.7	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.027	32%	0.317	C	S	.	.			trans	-58.4	103.2	176.4	179	-7.3	0	0	0	110.2	F109 M110 V174 R175 K176 N371 K372	F109-N369 WeakPolarHBondContact CA-ND2 3.33Å; F109-N369 HydrophobicContact CD1-CB 4.5Å; F109-N369 VanDerWaalsContact O-CG 3.31Å; F109-N369 PolarHBondContact O-ND2 2.93Å; F109-N369 PolarHBondContact O-OD1 3.49Å; M110-N369 PolarHBondContact O-ND2 2.8Å; V174-N369 WeakPolarHBondContact CG1-ND2 3.35Å; R175-N369 VanDerWaalsContact O-CB 3.23Å; R175-N369 WeakPolarHBondContact O-CB 3.32Å; R175-N369 PolarHBondContact O-ND2 3.46Å; K176-N369 PolarHBondContact O-N 3.32Å; N369-N371 PolarHBondContact O-N 2.71Å; N369-N371 WeakPolarHBondContact OD1-CA 3.37Å; N369-N371 VanDerWaalsContact OD1-CB 3.29Å; N369-N371 WeakPolarHBondContact OD1-CB 3.42Å; N369-N371 PolarHBondContact OD1-N 2.81Å; N369-N371 PolarHBondContact OD1-ND2 2.74Å; N369-K372 HydrophobicContact CB-CB 4.45Å; N369-K372 PolarHBondContact OD1-N 2.82Å
370	I	86.9	Confident	86.1	Confident	127 Å²	127	60.8 Å²	60.8	65%	0.651	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.8	179.9	59.9	174.4	0	0	0	112.9	L80 S368	L80-I370 HydrophobicContact CD2-CD1 4.21Å; S368-I370 WeakPolarHBondContact O-CG2 3.2Å; S368-I370 PolarHBondContact O-N 2.96Å
371	N	86.3	Confident	85.3	Confident	15 Å²	15	64.8 Å²	64.8	8%	0.08	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-23.8	-175.6	-52.2	-68.7	0	0	0	112.1	L80 L81 F109 K111 N369 T373	L80-N371 WeakPolarHBondContact CA-OD1 3.46Å; L80-N371 WeakPolarHBondContact CB-OD1 3.45Å; L80-N371 WeakPolarHBondContact CD2-OD1 3.19Å; L81-N371 PolarHBondContact N-OD1 3.41Å; L81-N371 VanDerWaalsContact N-OD1 3.1Å; L81-N371 VanDerWaalsContact O-CB 3.28Å; L81-N371 WeakPolarHBondContact O-CB 3.49Å; F109-N371 PolarHBondContact O-ND2 2.66Å; K111-N371 HydrophobicContact CB-CB 3.98Å; K111-N371 VanDerWaalsContact CB-O 3.26Å; K111-N371 WeakPolarHBondContact CB-O 3.4Å; K111-N371 WeakPolarHBondContact CG-O 3.32Å; N369-N371 PolarHBondContact O-N 2.71Å; N369-N371 WeakPolarHBondContact OD1-CA 3.37Å; N369-N371 VanDerWaalsContact OD1-CB 3.29Å; N369-N371 WeakPolarHBondContact OD1-CB 3.42Å; N369-N371 PolarHBondContact OD1-N 2.81Å; N369-N371 PolarHBondContact OD1-ND2 2.74Å; N371-T373 PolarHBondContact O-N 2.73Å
372	K	78.1	Confident	84.4	Confident	90 Å²	90	67.9 Å²	67.9	39%	0.391	37%	0.37	S	S	.	.	S	Bend	trans	-76.1	121.1	179.8	-170.5	179.2	-174.5	173.3	0	110.3	V174 K176 N369 V374	V174-K372 HydrophobicContact CG1-CB 4.36Å; V174-K372 HydrophobicContact CG1-CD 3.98Å; V174-K372 HydrophobicContact CG1-CG 4.31Å; K176-K372 HydrophobicContact CB-CD 4.31Å; N369-K372 HydrophobicContact CB-CB 4.45Å; N369-K372 PolarHBondContact OD1-N 2.82Å; K372-V374 PolarHBondContact O-N 3.22Å
373	T	71.1	Confident	83.4	Confident	94 Å²	94	72.7 Å²	72.7	58%	0.577	40%	0.396	S	S	*	.			trans	-64.2	125	172.2	36.5	0	0	0	0	110.2	N371 K375	N371-T373 PolarHBondContact O-N 2.73Å; T373-K375 PolarHBondContact O-N 3.03Å
374	V	62.6	Low	82.2	Confident	122 Å²	122	72.5 Å²	72.5	74%	0.739	39%	0.391	S	S	*	.			trans	-71	114	168.9	-172.9	0	0	0	0	106.2	K372	K372-V374 PolarHBondContact O-N 3.22Å
375	K	45.8	Very low	81	Confident	263 Å²	263	78.7 Å²	78.7	100%	1.143	42%	0.423	S	S	*	.			trans	-88.9	0	165.3	-82.3	-168.3	176.2	-173.7	0	109	T373	T373-K375 PolarHBondContact O-N 3.03Å

Retrieved 375 of 375 residues in 418 ms (Link to these results)

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