A0A087XGW6_POEFO Loading...

Aprataxin

DNA-binding protein involved in single-strand DNA break repair, double-strand DNA break repair and base excision repair. Resolves abortive DNA ligation intermediates formed either at base excision sites, or when DNA ligases attempt to repair non-ligatable breaks induced by reactive oxygen species. Catalyzes the release of adenylate groups covalently linked to 5'-phosphate termini, resulting in the production of 5'-phosphate termini that can be efficiently rejoined. Also able to hydrolyze adenosine 5'-monophosphoramidate (AMP-NH(2)) and diadenosine tetraphosphate (AppppA), but with lower catalytic activity. Likewise, catalyzes the release of 3'-linked guanosine (DNAppG) and inosine (DNAppI) from DNA, but has higher specific activity with 5'-linked adenosine (AppDNA).

AlphaFold DB , UniProt , Accession A0A087XGW6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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	K	65.3	Low	89.4	Confident	172 Å²	172	59.4 Å²	59.4	75%	0.748	28%	0.281	S	S	*	.				0	146.7	0	-70.7	-176.5	-178.9	-176.3	0	108.6	D103 T105	K1-D103 WeakPolarHBondContact CD-O 3.46Å; K1-D103 PolarHBondContact NZ-O 2.85Å; K1-D103 VanDerWaalsContact NZ-O 3.13Å; K1-T105 VanDerWaalsContact NZ-C 3.29Å; K1-T105 PolarHBondContact NZ-O 2.88Å
2	M	77.3	Confident	89.2	Confident	104 Å²	104	59.5 Å²	59.5	51%	0.512	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-80.3	130.3	-178.8	-169.8	-179.3	-63.1	0	0	109.6	H21 C51	M2-H21 HydrophobicContact SD-CB 3.54Å; M2-H21 VanDerWaalsContact SD-CB 3.54Å; M2-H21 PolarHBondContact SD-CD2 3.45Å; M2-C51 HydrophobicContact CG-CB 3.91Å; M2-C51 HydrophobicContact SD-CB 4.3Å
3	P	87.5	Confident	88.6	Confident	32 Å²	32	60.1 Å²	60.1	21%	0.208	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-69.9	144.2	179.5	27.1	-32.1	0	0	0	110.9	C51 F100 K101	P3-C51 HydrophobicContact CG-CB 4.14Å; P3-C51 WeakPolarHBondContact CG-O 3.3Å; P3-C51 WeakPolarHBondContact O-CB 3.34Å; P3-C51 PolarHBondContact O-SG 3.23Å; P3-C51 VanDerWaalsContact O-SG 3.39Å; P3-F100 HydrophobicContact CB-CB 4.13Å; P3-F100 HydrophobicContact CB-CD1 4.33Å; P3-F100 HydrophobicContact CG-CD1 4.28Å; P3-K101 CarbonylContact C-O 3.6Å; P3-K101 WeakPolarHBondContact CA-O 3.39Å
4	I	92.6	Very high	88.8	Confident	46 Å²	46	58.1 Å²	58.1	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.2	173.6	-50.7	179	0	0	0	108	W6 Q18 F100 K101 D103	I4-W6 HydrophobicContact CG2-CZ2 3.88Å; I4-Q18 HydrophobicContact CG2-CG 4.07Å; I4-F100 WeakPolarHBondContact O-CA 3.36Å; I4-K101 PolarHBondContact N-O 3.3Å; I4-K101 PolarHBondContact O-N 2.78Å; I4-D103 HydrophobicContact CD1-CB 4.23Å; I4-D103 HydrophobicContact CG1-CB 4.45Å
5	C	96.3	Very high	89.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135.7	179.3	-173.6	0	0	0	0	110.7	L19 A49 V56 I98 Q99 F100	C5-L19 HydrophobicContact CB-CB 4.08Å; C5-L19 WeakPolarHBondContact CB-O 3.36Å; C5-L19 PolarHBondContact O-N 2.83Å; C5-A49 HydrophobicContact CB-CB 3.82Å; C5-V56 VanDerWaalsContact SG-CG2 3.52Å; C5-I98 VanDerWaalsContact SG-CG2 3.53Å; C5-Q99 CarbonylContact C-O 3.42Å; C5-Q99 WeakPolarHBondContact CA-O 3.01Å; C5-F100 HydrophobicContact CB-CD1 3.78Å; C5-F100 HydrophobicContact CB-CE1 3.5Å; C5-F100 VanDerWaalsContact CB-CE1 3.5Å; C5-F100 HydrophobicContact CB-CZ 4.3Å; C5-F100 VanDerWaalsContact SG-CE1 3.52Å
6	W	97.2	Very high	89.5	Confident	70 Å²	70	66.5 Å²	66.5	27%	0.265	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.4	178.3	-61.2	91	0	0	0	110.3	I4 V8 P16 I17 Q18 I98 Q99	I4-W6 HydrophobicContact CG2-CZ2 3.88Å; W6-V8 HydrophobicContact CB-CG2 4.28Å; W6-P16 HydrophobicContact CB-CB 4.38Å; W6-P16 HydrophobicContact CE3-CB 3.9Å; W6-I17 WeakPolarHBondContact CA-O 3.49Å; W6-Q18 HydrophobicContact CD2-CG 4.49Å; W6-Q18 HydrophobicContact CE3-CB 3.84Å; W6-Q18 HydrophobicContact CE3-CG 4.24Å; W6-Q18 HydrophobicContact CH2-CB 3.88Å; W6-Q18 HydrophobicContact CH2-CG 3.9Å; W6-Q18 HydrophobicContact CZ2-CG 4.15Å; W6-Q18 HydrophobicContact CZ3-CB 3.49Å; W6-Q18 VanDerWaalsContact CZ3-CB 3.49Å; W6-Q18 HydrophobicContact CZ3-CG 3.97Å; W6-I98 WeakPolarHBondContact O-CA 3.48Å; W6-Q99 PolarHBondContact N-O 2.94Å; W6-Q99 PolarHBondContact O-N 3.14Å
7	L	97.2	Very high	90	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.7	166.6	-178.3	73	0	0	0	108.2	P16 I17 L19 V27 L47 L87 Y96 I98	L7-P16 CarbonylContact O-C 3.5Å; L7-P16 WeakPolarHBondContact O-CA 3.22Å; L7-I17 HydrophobicContact CB-CB 4.28Å; L7-I17 HydrophobicContact CD2-CD1 4.32Å; L7-I17 PolarHBondContact N-O 3.12Å; L7-I17 PolarHBondContact O-N 3.03Å; L7-L19 HydrophobicContact CB-CD1 4.06Å; L7-L19 HydrophobicContact CB-CD2 4.37Å; L7-L19 HydrophobicContact CB-CG 4.12Å; L7-V27 HydrophobicContact CD2-CG1 4.32Å; L7-V27 HydrophobicContact CD2-CG2 4.26Å; L7-L47 HydrophobicContact CD1-CD1 4.05Å; L7-L47 HydrophobicContact CD2-CD1 3.55Å; L7-L47 HydrophobicContact CG-CD1 4.3Å; L7-L87 HydrophobicContact CD1-CD2 4.07Å; L7-Y96 HydrophobicContact CD1-CD1 4.04Å; L7-Y96 HydrophobicContact CD1-CG 4.07Å; L7-Y96 HydrophobicContact CD2-CD1 3.91Å; L7-Y96 HydrophobicContact CD2-CE1 4.23Å; L7-Y96 HydrophobicContact CD2-CG 4.42Å; L7-Y96 HydrophobicContact CG-CD1 3.6Å; L7-Y96 HydrophobicContact CG-CE1 4.32Å; L7-Y96 HydrophobicContact CG-CG 4.13Å; L7-I98 HydrophobicContact CD1-CD1 3.61Å
8	V	96.7	Very high	90.3	Very high	25 Å²	25	65.2 Å²	65.2	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	-172.9	-175.3	0	0	0	0	109.6	W6 P16 Y96 T97 Q99	W6-V8 HydrophobicContact CB-CG2 4.28Å; V8-P16 HydrophobicContact CG2-CB 4.17Å; V8-P16 HydrophobicContact CG2-CG 4.3Å; V8-Y96 CarbonylContact O-C 3.48Å; V8-Y96 WeakPolarHBondContact O-CA 3.27Å; V8-Y96 WeakPolarHBondContact O-CB 3.43Å; V8-T97 PolarHBondContact N-O 2.85Å; V8-T97 PolarHBondContact O-N 2.76Å; V8-Q99 HydrophobicContact CG2-CB 4.34Å; V8-Q99 HydrophobicContact CG2-CG 3.94Å
9	S	95.4	Very high	90.7	Very high	9 Å²	9	61.8 Å²	61.8	6%	0.063	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.6	172.7	175.9	0	0	0	0	109.4	E11 G12 T13 Y96	S9-E11 PolarHBondContact O-N 2.76Å; S9-E11 PolarHBondContact OG-N 2.88Å; S9-G12 PolarHBondContact O-N 2.9Å; S9-T13 PolarHBondContact OG-OG1 3.33Å; S9-Y96 VanDerWaalsContact CA-CD1 3.45Å
10	E	90.4	Very high	90.9	Very high	86 Å²	86	60.9 Å²	60.9	40%	0.402	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.4	174.2	-64.5	-165	159.9	0	0	111.8	G12 K86 P95 T97	E10-G12 VanDerWaalsContact C-N 3.27Å; E10-G12 PolarHBondContact O-N 3.37Å; E10-K86 VanDerWaalsContact CD-NZ 3.3Å; E10-K86 WeakPolarHBondContact OE1-CD 3.35Å; E10-K86 WeakPolarHBondContact OE1-CE 3.49Å; E10-K86 IonicContact OE1-NZ 3.35Å; E10-K86 PolarHBondContact OE1-NZ 2.93Å; E10-K86 IonicContact OE2-NZ 2.9Å; E10-K86 PolarHBondContact OE2-NZ 2.68Å; E10-P95 HydrophobicContact CB-CB 4.4Å; E10-P95 HydrophobicContact CB-CG 4.12Å; E10-P95 HydrophobicContact CG-CB 4.26Å; E10-P95 PolarHBondContact N-O 2.84Å; E10-T97 HydrophobicContact CG-CG2 4.05Å; E10-T97 VanDerWaalsContact OE1-CG2 3.29Å; E10-T97 WeakPolarHBondContact OE1-CG2 3.47Å
11	E	86.9	Confident	91.1	Very high	109 Å²	109	60.4 Å²	60.4	51%	0.509	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.7	178.3	-61.5	179	178.6	0	0	112.4	S9 T13	S9-E11 PolarHBondContact O-N 2.76Å; S9-E11 PolarHBondContact OG-N 2.88Å; E11-T13 HydrophobicContact CB-CG2 3.83Å; E11-T13 PolarHBondContact O-N 3.42Å; E11-T13 VanDerWaalsContact O-N 3.16Å
12	G	87.5	Confident	92.5	Very high	61 Å²	61	56.6 Å²	56.6	63%	0.629	30%	0.299	S	S	*	.			trans	64.5	18.3	177.2	0	0	0	0	0	114.8	S9 E10 H14	S9-G12 PolarHBondContact O-N 2.9Å; E10-G12 VanDerWaalsContact C-N 3.27Å; E10-G12 PolarHBondContact O-N 3.37Å; G12-H14 VanDerWaalsContact C-N 3.28Å; G12-H14 PolarHBondContact O-N 3.21Å
13	T	80.8	Confident	93.4	Very high	67 Å²	67	60 Å²	60	41%	0.411	31%	0.306	S	S	.	.			trans	-72.1	-17.4	-171.4	48.3	0	0	0	0	114.5	S9 E11 T34	S9-T13 PolarHBondContact OG-OG1 3.33Å; E11-T13 HydrophobicContact CB-CG2 3.83Å; E11-T13 PolarHBondContact O-N 3.42Å; E11-T13 VanDerWaalsContact O-N 3.16Å; T13-T34 WeakPolarHBondContact CB-OG1 3.41Å; T13-T34 PolarHBondContact OG1-OG1 3.42Å
14	H	92.4	Very high	93.9	Very high	33 Å²	33	60.7 Å²	60.7	15%	0.153	32%	0.315	C	S	.	.	S	Bend	trans	-153.5	170.5	176.1	65.1	86.6	0	0	0	111.1	G12 I17 E32 T33 T34 Y96	G12-H14 VanDerWaalsContact C-N 3.28Å; G12-H14 PolarHBondContact O-N 3.21Å; H14-I17 VanDerWaalsContact CE1-CD1 3.5Å; H14-I17 WeakPolarHBondContact CE1-CD1 3.43Å; H14-E32 VanDerWaalsContact CG-O 3.25Å; H14-E32 PolarHBondContact ND1-O 2.84Å; H14-E32 VanDerWaalsContact ND1-O 3.17Å; H14-T33 VanDerWaalsContact CD2-C 3.45Å; H14-T33 PolarHBondContact CD2-O 3.21Å; H14-T34 HydrophobicContact CB-CG2 3.9Å; H14-Y96 AromaticContact CE1-CE1 3.72Å; H14-Y96 AromaticContact NE2-CE1 3.32Å; H14-Y96 VanDerWaalsContact NE2-CE1 3.32Å; H14-Y96 WeakPolarHBondContact NE2-CE1 3.35Å; H14-Y96 AromaticContact NE2-CZ 3.55Å; H14-Y96 PolarHBondContact NE2-OH 3.46Å
15	K	93.2	Very high	94.1	Very high	184 Å²	184	59.6 Å²	59.6	80%	0.8	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-66.1	146.6	177.4	-65.2	-178.3	179.7	179.8	0	111.1	I17	K15-I17 PolarHBondContact O-N 3.4Å
16	P	95.8	Very high	94.1	Very high	66 Å²	66	62 Å²	62	43%	0.429	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-50.2	136.2	174.7	-29.4	36.4	0	0	0	112.9	W6 L7 V8	W6-P16 HydrophobicContact CB-CB 4.38Å; W6-P16 HydrophobicContact CE3-CB 3.9Å; L7-P16 CarbonylContact O-C 3.5Å; L7-P16 WeakPolarHBondContact O-CA 3.22Å; V8-P16 HydrophobicContact CG2-CB 4.17Å; V8-P16 HydrophobicContact CG2-CG 4.3Å
17	I	96.7	Very high	94.2	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.046	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.9	179.6	-61.6	165.2	0	0	0	108	W6 L7 H14 K15 V25 V27 E32 T33	W6-I17 WeakPolarHBondContact CA-O 3.49Å; L7-I17 HydrophobicContact CB-CB 4.28Å; L7-I17 HydrophobicContact CD2-CD1 4.32Å; L7-I17 PolarHBondContact N-O 3.12Å; L7-I17 PolarHBondContact O-N 3.03Å; H14-I17 VanDerWaalsContact CE1-CD1 3.5Å; H14-I17 WeakPolarHBondContact CE1-CD1 3.43Å; K15-I17 PolarHBondContact O-N 3.4Å; I17-V25 HydrophobicContact CG2-CG1 4.31Å; I17-V27 HydrophobicContact CD1-CG1 4.18Å; I17-E32 HydrophobicContact CD1-CG 3.8Å; I17-E32 HydrophobicContact CG1-CG 4Å; I17-E32 WeakPolarHBondContact CG2-OE1 3.44Å; I17-T33 HydrophobicContact CD1-CG2 4.13Å
18	Q	96.8	Very high	94.1	Very high	100 Å²	100	59 Å²	59	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.6	178.9	-163.5	178.2	-0.7	0	0	110.4	I4 W6 P20	I4-Q18 HydrophobicContact CG2-CG 4.07Å; W6-Q18 HydrophobicContact CD2-CG 4.49Å; W6-Q18 HydrophobicContact CE3-CB 3.84Å; W6-Q18 HydrophobicContact CE3-CG 4.24Å; W6-Q18 HydrophobicContact CH2-CB 3.88Å; W6-Q18 HydrophobicContact CH2-CG 3.9Å; W6-Q18 HydrophobicContact CZ2-CG 4.15Å; W6-Q18 HydrophobicContact CZ3-CB 3.49Å; W6-Q18 VanDerWaalsContact CZ3-CB 3.49Å; W6-Q18 HydrophobicContact CZ3-CG 3.97Å; Q18-P20 WeakPolarHBondContact O-CD 3.48Å
19	L	96.9	Very high	94.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	97.2	173.2	-59.1	-177.5	0	0	0	109.4	C5 L7 V25 L47 A49 V56 I98	C5-L19 HydrophobicContact CB-CB 4.08Å; C5-L19 WeakPolarHBondContact CB-O 3.36Å; C5-L19 PolarHBondContact O-N 2.83Å; L7-L19 HydrophobicContact CB-CD1 4.06Å; L7-L19 HydrophobicContact CB-CD2 4.37Å; L7-L19 HydrophobicContact CB-CG 4.12Å; L19-V25 HydrophobicContact CD2-CB 3.81Å; L19-V25 HydrophobicContact CD2-CG1 4.07Å; L19-V25 HydrophobicContact CD2-CG2 4Å; L19-L47 HydrophobicContact CD1-CB 4.26Å; L19-L47 HydrophobicContact CD1-CD1 4.33Å; L19-L47 HydrophobicContact CD2-CB 3.96Å; L19-L47 HydrophobicContact CD2-CD1 4.11Å; L19-A49 HydrophobicContact CB-CB 3.9Å; L19-V56 HydrophobicContact CD1-CG1 3.95Å; L19-V56 HydrophobicContact CD1-CG2 3.89Å; L19-I98 HydrophobicContact CD1-CD1 3.99Å
20	P	95.6	Very high	94.2	Very high	44 Å²	44	62.4 Å²	62.4	29%	0.286	33%	0.331	S	S	.	.			trans	-66.7	148.4	-178.8	-17.2	31.1	0	0	0	111.9	Q18 L22 R23	Q18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-L22 PolarHBondContact O-N 3.2Å; P20-R23 HydrophobicContact CB-CB 3.93Å; P20-R23 HydrophobicContact CG-CB 4.4Å; P20-R23 PolarHBondContact O-N 3.14Å
21	H	95.2	Very high	94.3	Very high	51 Å²	51	64.2 Å²	64.2	24%	0.236	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-59.3	128.4	-179.2	-176	43.9	0	0	0	111.8	M2 R23 A49 C51 N52	M2-H21 HydrophobicContact SD-CB 3.54Å; M2-H21 VanDerWaalsContact SD-CB 3.54Å; M2-H21 PolarHBondContact SD-CD2 3.45Å; H21-R23 PolarHBondContact O-N 3.36Å; H21-A49 WeakPolarHBondContact CA-O 3.47Å; H21-A49 PolarHBondContact ND1-O 2.86Å; H21-A49 VanDerWaalsContact ND1-O 3.12Å; H21-C51 HydrophobicContact CB-CB 4.29Å; H21-C51 PolarHBondContact ND1-N 3.26Å; H21-N52 VanDerWaalsContact CE1-CG 3.48Å; H21-N52 PolarHBondContact CE1-OD1 2.85Å
22	L	93.9	Very high	94.6	Very high	91 Å²	91	63.9 Å²	63.9	48%	0.476	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	14	-179.1	-56.4	176.9	0	0	0	115.5	P20 K48 A49 E50	P20-L22 PolarHBondContact O-N 3.2Å; L22-K48 WeakPolarHBondContact O-CE 3.37Å; L22-A49 PolarHBondContact N-O 2.92Å; L22-E50 HydrophobicContact CD2-CG 3.91Å
23	R	96.8	Very high	95	Very high	175 Å²	175	61 Å²	61	66%	0.66	32%	0.319	S	S	*	.			trans	-103	134	173.7	-166.3	173.3	176.3	175	-1.3	110.2	P20 H21	P20-R23 HydrophobicContact CB-CB 3.93Å; P20-R23 HydrophobicContact CG-CB 4.4Å; P20-R23 PolarHBondContact O-N 3.14Å; H21-R23 PolarHBondContact O-N 3.36Å
24	A	96.5	Very high	95.7	Very high	48 Å²	48	60.7 Å²	60.7	40%	0.397	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.7	172.7	0	0	0	0	0	110.1	E46 L47	A24-E46 HydrophobicContact CB-CG 3.78Å; A24-L47 WeakPolarHBondContact CA-O 3.46Å
25	V	97.6	Very high	95.9	Very high	22 Å²	22	59.4 Å²	59.4	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.6	171.8	-179.4	0	0	0	0	107.3	I17 L19 V27 L47	I17-V25 HydrophobicContact CG2-CG1 4.31Å; L19-V25 HydrophobicContact CD2-CB 3.81Å; L19-V25 HydrophobicContact CD2-CG1 4.07Å; L19-V25 HydrophobicContact CD2-CG2 4Å; V25-V27 HydrophobicContact CG1-CG1 4.15Å; V25-L47 PolarHBondContact N-O 3.13Å; V25-L47 PolarHBondContact O-N 2.95Å
26	V	97.5	Very high	96	Very high	51 Å²	51	59.7 Å²	59.7	31%	0.309	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.3	-179.3	178.2	0	0	0	0	109	Q43 V45 E46 L61	V26-Q43 HydrophobicContact CG1-CB 3.72Å; V26-Q43 HydrophobicContact CG1-CG 3.92Å; V26-V45 CarbonylContact C-O 3.6Å; V26-V45 WeakPolarHBondContact CA-O 3.36Å; V26-E46 HydrophobicContact CG2-CB 4.17Å; V26-E46 HydrophobicContact CG2-CG 4.24Å; V26-L61 HydrophobicContact CG1-CD1 3.98Å; V26-L61 HydrophobicContact CG2-CD1 4.06Å
27	V	97.3	Very high	95.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.7	177	-56.2	0	0	0	0	110.8	L7 I17 V25 T33 Q44 V45 L47	L7-V27 HydrophobicContact CD2-CG1 4.32Å; L7-V27 HydrophobicContact CD2-CG2 4.26Å; I17-V27 HydrophobicContact CD1-CG1 4.18Å; V25-V27 HydrophobicContact CG1-CG1 4.15Å; V27-T33 HydrophobicContact CB-CG2 3.95Å; V27-Q44 WeakPolarHBondContact O-CB 3.42Å; V27-Q44 PolarHBondContact O-N 3.03Å; V27-V45 HydrophobicContact CG2-CG1 3.3Å; V27-V45 PolarHBondContact N-O 2.85Å; V27-V45 PolarHBondContact O-N 2.92Å; V27-L47 HydrophobicContact CG2-CD1 3.88Å
28	G	96.7	Very high	95.5	Very high	5 Å²	5	66.3 Å²	66.3	5%	0.052	34%	0.336	C	S	.	.	S	Bend	trans	173	-160	-175.9	0	0	0	0	0	110.8	G30 T33 S41	G28-G30 PolarHBondContact O-N 3.17Å; G28-T33 WeakPolarHBondContact O-CG2 3.11Å; G28-T33 PolarHBondContact O-OG1 3.12Å; G28-S41 CarbonylContact C-O 3.59Å; G28-S41 VanDerWaalsContact CA-O 3.25Å; G28-S41 WeakPolarHBondContact CA-O 3.4Å
29	R	97.5	Very high	95	Very high	83 Å²	83	67.6 Å²	67.6	31%	0.313	34%	0.34	S	S	.	.	S	Bend	trans	-56.1	121.1	173.6	158.6	167.5	71.5	140.5	1.7	111	I35 C40 S41 R42	R29-I35 WeakPolarHBondContact CA-O 3.17Å; R29-I35 WeakPolarHBondContact CG-O 3.48Å; R29-C40 HydrophobicContact CB-CB 4.07Å; R29-C40 VanDerWaalsContact CB-O 3.22Å; R29-C40 WeakPolarHBondContact CB-O 3.15Å; R29-C40 PolarHBondContact N-SG 3.13Å; R29-C40 VanDerWaalsContact N-SG 3.4Å; R29-C40 PolarHBondContact NE-O 3.24Å; R29-S41 PolarHBondContact N-O 3.3Å; R29-R42 HydrophobicContact CG-CG 4.33Å; R29-R42 WeakPolarHBondContact O-CA 3.42Å; R29-R42 WeakPolarHBondContact O-CG 3.29Å
30	G	96	Very high	94.8	Very high	22 Å²	22	67.6 Å²	67.6	23%	0.227	34%	0.34	C	S	.	.	S	Bend	trans	167.9	-179.5	178.5	0	0	0	0	0	114.1	G28 E32 T34 I35	G28-G30 PolarHBondContact O-N 3.17Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.93Å; G30-T34 VanDerWaalsContact O-CA 3.26Å; G30-T34 WeakPolarHBondContact O-CA 3.48Å; G30-T34 PolarHBondContact O-N 2.9Å; G30-I35 PolarHBondContact N-O 3.21Å
31	P	93.6	Very high	94.9	Very high	125 Å²	125	67.5 Å²	67.5	81%	0.812	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-30	179.4	26.2	-33.6	0	0	0	113.1
32	E	92.9	Very high	94.9	Very high	102 Å²	102	73.6 Å²	73.6	48%	0.477	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-41.5	-178.1	-171.3	178.1	-161.6	0	0	112.9	H14 I17 G30	H14-E32 VanDerWaalsContact CG-O 3.25Å; H14-E32 PolarHBondContact ND1-O 2.84Å; H14-E32 VanDerWaalsContact ND1-O 3.17Å; I17-E32 HydrophobicContact CD1-CG 3.8Å; I17-E32 HydrophobicContact CG1-CG 4Å; I17-E32 WeakPolarHBondContact CG2-OE1 3.44Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 2.93Å
33	T	95.4	Very high	95.1	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.006	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.6	177.4	63.4	0	0	0	0	112.9	H14 I17 V27 G28 I35	H14-T33 VanDerWaalsContact CD2-C 3.45Å; H14-T33 PolarHBondContact CD2-O 3.21Å; I17-T33 HydrophobicContact CD1-CG2 4.13Å; V27-T33 HydrophobicContact CB-CG2 3.95Å; G28-T33 WeakPolarHBondContact O-CG2 3.11Å; G28-T33 PolarHBondContact O-OG1 3.12Å; T33-I35 HydrophobicContact CG2-CD1 4.48Å; T33-I35 PolarHBondContact O-N 3.32Å; T33-I35 WeakPolarHBondContact OG1-CG1 3.23Å; T33-I35 PolarHBondContact OG1-N 3.13Å
34	T	96.2	Very high	95	Very high	60 Å²	60	66.9 Å²	66.9	37%	0.368	34%	0.335	S	S	.	.			trans	57.6	6.7	-169	67.4	0	0	0	0	115.7	T13 H14 G30 K36	T13-T34 WeakPolarHBondContact CB-OG1 3.41Å; T13-T34 PolarHBondContact OG1-OG1 3.42Å; H14-T34 HydrophobicContact CB-CG2 3.9Å; G30-T34 VanDerWaalsContact O-CA 3.26Å; G30-T34 WeakPolarHBondContact O-CA 3.48Å; G30-T34 PolarHBondContact O-N 2.9Å; T34-K36 PolarHBondContact O-N 2.98Å
35	I	95.7	Very high	95.1	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	32%	0.316	C	S	.	.			trans	-70	121.5	180	-61.7	169.3	0	0	0	109.8	R29 G30 T33 D37 C40 V89 Y94	R29-I35 WeakPolarHBondContact CA-O 3.17Å; R29-I35 WeakPolarHBondContact CG-O 3.48Å; G30-I35 PolarHBondContact N-O 3.21Å; T33-I35 HydrophobicContact CG2-CD1 4.48Å; T33-I35 PolarHBondContact O-N 3.32Å; T33-I35 WeakPolarHBondContact OG1-CG1 3.23Å; T33-I35 PolarHBondContact OG1-N 3.13Å; I35-D37 HydrophobicContact CG2-CB 4.14Å; I35-C40 HydrophobicContact CG2-CB 3.78Å; I35-V89 HydrophobicContact CD1-CB 4.12Å; I35-V89 HydrophobicContact CD1-CG1 3.94Å; I35-V89 HydrophobicContact CD1-CG2 4.29Å; I35-Y94 HydrophobicContact CD1-CD1 4.3Å; I35-Y94 HydrophobicContact CD1-CD2 4.12Å; I35-Y94 HydrophobicContact CD1-CG 3.8Å; I35-Y94 HydrophobicContact CG1-CD1 3.91Å; I35-Y94 HydrophobicContact CG1-CD2 4.38Å; I35-Y94 HydrophobicContact CG1-CE1 4.35Å; I35-Y94 HydrophobicContact CG1-CG 3.92Å; I35-Y94 HydrophobicContact CG2-CD2 4.2Å; I35-Y94 HydrophobicContact CG2-CE1 4.34Å; I35-Y94 HydrophobicContact CG2-CE2 3.92Å
36	K	94.6	Very high	95.1	Very high	190 Å²	190	65.9 Å²	65.9	83%	0.826	32%	0.321	S	S	*	.			trans	-101.9	-7.7	177.1	-63.1	-178.8	-176.4	176.1	0	114.1	T34 K38	T34-K36 PolarHBondContact O-N 2.98Å; K36-K38 PolarHBondContact O-N 3.35Å
37	D	91.5	Very high	95.1	Very high	34 Å²	34	63.5 Å²	63.5	18%	0.182	31%	0.306	C	S	.	.			trans	-60.8	122.2	-177.8	-176.8	-0.7	0	0	0	111.8	I35 K39 C40 Y94	I35-D37 HydrophobicContact CG2-CB 4.14Å; D37-K39 PolarHBondContact O-N 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.44Å; D37-K39 WeakPolarHBondContact OD1-CG 3.46Å; D37-K39 PolarHBondContact OD1-N 3.18Å; D37-C40 HydrophobicContact CB-CB 4.41Å; D37-C40 WeakPolarHBondContact O-CB 3.23Å; D37-C40 PolarHBondContact O-N 2.7Å; D37-Y94 HydrophobicContact CB-CE2 3.99Å; D37-Y94 VanDerWaalsContact CB-OH 3.31Å; D37-Y94 WeakPolarHBondContact CB-OH 3.33Å
38	K	92.3	Very high	95.1	Very high	180 Å²	180	67.1 Å²	67.1	78%	0.783	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.6	178.1	-67.9	-176.7	-178.9	179.8	0	112.9	K36 C40	K36-K38 PolarHBondContact O-N 3.35Å; K38-C40 VanDerWaalsContact C-N 3.29Å
39	K	85.9	Confident	95.1	Very high	127 Å²	127	66.9 Å²	66.9	55%	0.552	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.7	172	-60.3	173.5	-176	169.9	0	111.5	D37 N64	D37-K39 PolarHBondContact O-N 3.41Å; D37-K39 WeakPolarHBondContact OD1-CB 3.44Å; D37-K39 WeakPolarHBondContact OD1-CG 3.46Å; D37-K39 PolarHBondContact OD1-N 3.18Å; K39-N64 PolarHBondContact O-ND2 3.47Å
40	C	93.1	Very high	95	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-79.8	119.9	171.7	-165.8	0	0	0	0	109.7	R29 I35 D37 K38 V90	R29-C40 HydrophobicContact CB-CB 4.07Å; R29-C40 VanDerWaalsContact CB-O 3.22Å; R29-C40 WeakPolarHBondContact CB-O 3.15Å; R29-C40 PolarHBondContact N-SG 3.13Å; R29-C40 VanDerWaalsContact N-SG 3.4Å; R29-C40 PolarHBondContact NE-O 3.24Å; I35-C40 HydrophobicContact CG2-CB 3.78Å; D37-C40 HydrophobicContact CB-CB 4.41Å; D37-C40 WeakPolarHBondContact O-CB 3.23Å; D37-C40 PolarHBondContact O-N 2.7Å; K38-C40 VanDerWaalsContact C-N 3.29Å; C40-V90 HydrophobicContact CB-CB 4.33Å; C40-V90 HydrophobicContact CB-CG1 3.71Å
41	S	96.1	Very high	94.8	Very high	42 Å²	42	62.7 Å²	62.7	29%	0.294	30%	0.298	S	S	.	.			trans	-61.1	151.4	170.5	176.4	0	0	0	0	109.9	G28 R29 Q43 Q44	G28-S41 CarbonylContact C-O 3.59Å; G28-S41 VanDerWaalsContact CA-O 3.25Å; G28-S41 WeakPolarHBondContact CA-O 3.4Å; R29-S41 PolarHBondContact N-O 3.3Å; S41-Q43 WeakPolarHBondContact CB-O 3.48Å; S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 VanDerWaalsContact OG-C 3.29Å; S41-Q43 PolarHBondContact OG-N 2.81Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; S41-Q43 PolarHBondContact OG-O 3.12Å; S41-Q44 WeakPolarHBondContact O-CB 3.45Å
42	R	96.4	Very high	94.7	Very high	180 Å²	180	61.8 Å²	61.8	68%	0.679	29%	0.286	S	S	*	.	S	Bend	trans	-62.6	-29	168.7	-68.3	-174.9	174.1	-125	3.3	111.4	R29	R29-R42 HydrophobicContact CG-CG 4.33Å; R29-R42 WeakPolarHBondContact O-CA 3.42Å; R29-R42 WeakPolarHBondContact O-CG 3.29Å
43	Q	96.6	Very high	94.6	Very high	124 Å²	124	63 Å²	63	58%	0.579	29%	0.29	S	S	*	.	S	Bend	trans	-116.3	79.7	172.3	-61.1	-176.8	48.7	0	0	107.3	V26 S41 L61 G62	V26-Q43 HydrophobicContact CG1-CB 3.72Å; V26-Q43 HydrophobicContact CG1-CG 3.92Å; S41-Q43 WeakPolarHBondContact CB-O 3.48Å; S41-Q43 PolarHBondContact O-N 2.85Å; S41-Q43 VanDerWaalsContact OG-C 3.29Å; S41-Q43 PolarHBondContact OG-N 2.81Å; S41-Q43 VanDerWaalsContact OG-N 3.08Å; S41-Q43 PolarHBondContact OG-O 3.12Å; Q43-L61 HydrophobicContact CB-CD1 4.41Å; Q43-L61 WeakPolarHBondContact O-CB 3.3Å; Q43-G62 PolarHBondContact O-N 3.31Å
44	Q	96.3	Very high	94.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.302	C	S	.	.			trans	-89.5	-47.1	-172.7	-179.4	58.9	34.7	0	0	111	V27 S41 L61 G62 N64 T66 V89 V90	V27-Q44 WeakPolarHBondContact O-CB 3.42Å; V27-Q44 PolarHBondContact O-N 3.03Å; S41-Q44 WeakPolarHBondContact O-CB 3.45Å; Q44-L61 PolarHBondContact O-N 3.19Å; Q44-G62 PolarHBondContact O-N 3Å; Q44-N64 PolarHBondContact NE2-O 2.84Å; Q44-T66 PolarHBondContact NE2-OG1 3.28Å; Q44-V89 HydrophobicContact CB-CG1 4.12Å; Q44-V89 HydrophobicContact CG-CG1 3.74Å; Q44-V89 WeakPolarHBondContact CG-O 3.46Å; Q44-V89 PolarHBondContact NE2-O 2.77Å; Q44-V90 HydrophobicContact CG-CB 4.43Å
45	V	97	Very high	94.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.2	-175.6	61.3	0	0	0	0	110.3	V26 V27 L47 V58 K59 T66 V89	V26-V45 CarbonylContact C-O 3.6Å; V26-V45 WeakPolarHBondContact CA-O 3.36Å; V27-V45 HydrophobicContact CG2-CG1 3.3Å; V27-V45 PolarHBondContact N-O 2.85Å; V27-V45 PolarHBondContact O-N 2.92Å; V45-L47 HydrophobicContact CG2-CD2 3.98Å; V45-L47 HydrophobicContact CG2-CG 4.39Å; V45-V58 HydrophobicContact CG2-CG1 3.38Å; V45-K59 CarbonylContact C-O 3.6Å; V45-K59 WeakPolarHBondContact CA-O 3.48Å; V45-K59 WeakPolarHBondContact CG2-O 3.46Å; V45-T66 HydrophobicContact CB-CG2 4.07Å; V45-T66 HydrophobicContact CG2-CG2 3.92Å; V45-V89 HydrophobicContact CG1-CG1 4.46Å
46	E	97.9	Very high	94.5	Very high	50 Å²	50	61.5 Å²	61.5	23%	0.234	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.4	169	179.9	-177.6	105.6	0	0	109.2	A24 V26 K59 L61	A24-E46 HydrophobicContact CB-CG 3.78Å; V26-E46 HydrophobicContact CG2-CB 4.17Å; V26-E46 HydrophobicContact CG2-CG 4.24Å; E46-K59 HydrophobicContact CB-CB 4.24Å; E46-K59 PolarHBondContact N-O 2.93Å; E46-K59 PolarHBondContact O-N 2.82Å; E46-L61 HydrophobicContact CB-CD1 3.97Å; E46-L61 HydrophobicContact CB-CD2 4.44Å; E46-L61 HydrophobicContact CB-CG 4.14Å
47	L	98	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.6	-178.6	-61.8	173	0	0	0	109.4	L7 L19 A24 V25 V27 V45 V56 K57 V58 L87	L7-L47 HydrophobicContact CD1-CD1 4.05Å; L7-L47 HydrophobicContact CD2-CD1 3.55Å; L7-L47 HydrophobicContact CG-CD1 4.3Å; L19-L47 HydrophobicContact CD1-CB 4.26Å; L19-L47 HydrophobicContact CD1-CD1 4.33Å; L19-L47 HydrophobicContact CD2-CB 3.96Å; L19-L47 HydrophobicContact CD2-CD1 4.11Å; A24-L47 WeakPolarHBondContact CA-O 3.46Å; V25-L47 PolarHBondContact N-O 3.13Å; V25-L47 PolarHBondContact O-N 2.95Å; V27-L47 HydrophobicContact CG2-CD1 3.88Å; V45-L47 HydrophobicContact CG2-CD2 3.98Å; V45-L47 HydrophobicContact CG2-CG 4.39Å; L47-V56 HydrophobicContact CB-CG1 3.99Å; L47-V56 HydrophobicContact CD2-CG1 4.09Å; L47-K57 CarbonylContact C-O 3.6Å; L47-K57 WeakPolarHBondContact CA-O 3.28Å; L47-V58 HydrophobicContact CD2-CB 4.2Å; L47-V58 HydrophobicContact CD2-CG1 3.98Å; L47-V58 HydrophobicContact CD2-CG2 3.83Å; L47-L87 HydrophobicContact CD1-CD2 4.2Å; L47-L87 HydrophobicContact CD2-CD2 3.87Å
48	K	97.8	Very high	95	Very high	78 Å²	78	53.6 Å²	53.6	34%	0.339	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.6	178.2	-175	175.1	-178.4	167	0	110.5	L22 K57	L22-K48 WeakPolarHBondContact O-CE 3.37Å; K48-K57 HydrophobicContact CB-CB 4.35Å; K48-K57 PolarHBondContact N-O 2.75Å; K48-K57 PolarHBondContact O-N 3.39Å
49	A	96.9	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.2	-176.5	0	0	0	0	0	112.5	C5 L19 H21 L22 V56	C5-A49 HydrophobicContact CB-CB 3.82Å; L19-A49 HydrophobicContact CB-CB 3.9Å; H21-A49 WeakPolarHBondContact CA-O 3.47Å; H21-A49 PolarHBondContact ND1-O 2.86Å; H21-A49 VanDerWaalsContact ND1-O 3.12Å; L22-A49 PolarHBondContact N-O 2.92Å; A49-V56 HydrophobicContact CB-CG2 4.05Å
50	E	95.4	Very high	95.5	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	72	166.6	-68.2	-167.1	-124.6	0	0	108.4	L22 N52 K53 G54 Y55 K57	L22-E50 HydrophobicContact CD2-CG 3.91Å; E50-N52 VanDerWaalsContact C-N 3.25Å; E50-N52 PolarHBondContact O-N 3.3Å; E50-K53 HydrophobicContact CB-CB 4.25Å; E50-K53 CarbonylContact O-C 3.57Å; E50-K53 WeakPolarHBondContact O-CA 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; E50-K53 WeakPolarHBondContact OE2-CD 3.45Å; E50-K53 WeakPolarHBondContact OE2-CE 3.4Å; E50-K53 IonicContact OE2-NZ 2.78Å; E50-K53 PolarHBondContact OE2-NZ 3.26Å; E50-G54 PolarHBondContact O-N 2.91Å; E50-Y55 HydrophobicContact CB-CD2 4.22Å; E50-Y55 HydrophobicContact CB-CE1 4.42Å; E50-Y55 HydrophobicContact CB-CE2 3.81Å; E50-Y55 VanDerWaalsContact CD-CZ 3.4Å; E50-Y55 HydrophobicContact CG-CE2 3.84Å; E50-Y55 PolarHBondContact N-O 3.44Å; E50-Y55 WeakPolarHBondContact OE1-CE2 3.42Å; E50-Y55 VanDerWaalsContact OE1-CZ 3.29Å; E50-Y55 PolarHBondContact OE1-OH 2.89Å; E50-Y55 PolarHBondContact OE2-OH 3.15Å; E50-K57 WeakPolarHBondContact OE1-CD 3.43Å; E50-K57 WeakPolarHBondContact OE1-CE 3.45Å; E50-K57 IonicContact OE1-NZ 2.76Å; E50-K57 PolarHBondContact OE1-NZ 3.38Å
51	C	92.2	Very high	95.4	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.041	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-53.5	-37.3	-174.1	-61.4	0	0	0	0	114.4	M2 P3 H21 K53 G54 F100	M2-C51 HydrophobicContact CG-CB 3.91Å; M2-C51 HydrophobicContact SD-CB 4.3Å; P3-C51 HydrophobicContact CG-CB 4.14Å; P3-C51 WeakPolarHBondContact CG-O 3.3Å; P3-C51 WeakPolarHBondContact O-CB 3.34Å; P3-C51 PolarHBondContact O-SG 3.23Å; P3-C51 VanDerWaalsContact O-SG 3.39Å; H21-C51 HydrophobicContact CB-CB 4.29Å; H21-C51 PolarHBondContact ND1-N 3.26Å; C51-K53 PolarHBondContact O-N 2.77Å; C51-G54 PolarHBondContact O-N 2.81Å; C51-F100 HydrophobicContact CB-CE1 4.29Å
52	N	90.8	Very high	95.1	Very high	106 Å²	106	42.8 Å²	42.8	57%	0.567	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-64.8	-22.3	173.3	49.2	-10.9	0	0	0	114.2	H21 E50	H21-N52 VanDerWaalsContact CE1-CG 3.48Å; H21-N52 PolarHBondContact CE1-OD1 2.85Å; E50-N52 VanDerWaalsContact C-N 3.25Å; E50-N52 PolarHBondContact O-N 3.3Å
53	K	91.2	Very high	94.5	Very high	126 Å²	126	41 Å²	41	55%	0.548	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-108.1	-2.1	178	-60.2	-176.6	-172.6	158.1	0	113.6	E50 C51 Y55	E50-K53 HydrophobicContact CB-CB 4.25Å; E50-K53 CarbonylContact O-C 3.57Å; E50-K53 WeakPolarHBondContact O-CA 3.47Å; E50-K53 PolarHBondContact O-N 3.33Å; E50-K53 WeakPolarHBondContact OE2-CD 3.45Å; E50-K53 WeakPolarHBondContact OE2-CE 3.4Å; E50-K53 IonicContact OE2-NZ 2.78Å; E50-K53 PolarHBondContact OE2-NZ 3.26Å; C51-K53 PolarHBondContact O-N 2.77Å; K53-Y55 HydrophobicContact CB-CD1 3.62Å; K53-Y55 HydrophobicContact CB-CE1 3.4Å; K53-Y55 VanDerWaalsContact CB-CE1 3.4Å; K53-Y55 HydrophobicContact CD-CE1 3.55Å; K53-Y55 HydrophobicContact CG-CE1 4.14Å; K53-Y55 PolarHBondContact O-N 2.81Å
54	G	92.3	Very high	93.9	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	29.3	176.9	0	0	0	0	0	114.9	E50 C51 F100	E50-G54 PolarHBondContact O-N 2.91Å; C51-G54 PolarHBondContact O-N 2.81Å; G54-F100 WeakPolarHBondContact O-CE2 3.44Å
55	Y	95.6	Very high	93.6	Very high	11 Å²	11	38.9 Å²	38.9	4%	0.043	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.7	174.5	69.4	-103.9	0	0	0	112.6	E50 K53 K57 R80 I81	E50-Y55 HydrophobicContact CB-CD2 4.22Å; E50-Y55 HydrophobicContact CB-CE1 4.42Å; E50-Y55 HydrophobicContact CB-CE2 3.81Å; E50-Y55 VanDerWaalsContact CD-CZ 3.4Å; E50-Y55 HydrophobicContact CG-CE2 3.84Å; E50-Y55 PolarHBondContact N-O 3.44Å; E50-Y55 WeakPolarHBondContact OE1-CE2 3.42Å; E50-Y55 VanDerWaalsContact OE1-CZ 3.29Å; E50-Y55 PolarHBondContact OE1-OH 2.89Å; E50-Y55 PolarHBondContact OE2-OH 3.15Å; K53-Y55 HydrophobicContact CB-CD1 3.62Å; K53-Y55 HydrophobicContact CB-CE1 3.4Å; K53-Y55 VanDerWaalsContact CB-CE1 3.4Å; K53-Y55 HydrophobicContact CD-CE1 3.55Å; K53-Y55 HydrophobicContact CG-CE1 4.14Å; K53-Y55 PolarHBondContact O-N 2.81Å; Y55-K57 HydrophobicContact CD2-CG 4.46Å; Y55-K57 HydrophobicContact CE2-CG 3.96Å; Y55-R80 HydrophobicContact CD2-CB 4.16Å; Y55-R80 HydrophobicContact CD2-CG 3.86Å; Y55-R80 HydrophobicContact CE2-CG 3.97Å; Y55-R80 HydrophobicContact CG-CB 4.44Å; Y55-R80 HydrophobicContact CG-CG 4.43Å; Y55-I81 WeakPolarHBondContact CA-O 3.33Å; Y55-I81 WeakPolarHBondContact CB-O 3.46Å
56	V	97.7	Very high	93.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.4	171.8	178	0	0	0	0	108.7	C5 L19 L47 A49 R80 I81 I98 F100	C5-V56 VanDerWaalsContact SG-CG2 3.52Å; L19-V56 HydrophobicContact CD1-CG1 3.95Å; L19-V56 HydrophobicContact CD1-CG2 3.89Å; L47-V56 HydrophobicContact CB-CG1 3.99Å; L47-V56 HydrophobicContact CD2-CG1 4.09Å; A49-V56 HydrophobicContact CB-CG2 4.05Å; V56-R80 WeakPolarHBondContact O-CA 3.46Å; V56-I81 HydrophobicContact CB-CG2 3.72Å; V56-I81 HydrophobicContact CG1-CG2 4.35Å; V56-I81 PolarHBondContact N-O 3.33Å; V56-I81 WeakPolarHBondContact O-CG2 3.47Å; V56-I81 PolarHBondContact O-N 3.02Å; V56-I98 HydrophobicContact CB-CD1 4.42Å; V56-I98 HydrophobicContact CB-CG1 4.45Å; V56-I98 HydrophobicContact CG2-CD1 3.99Å; V56-I98 HydrophobicContact CG2-CG1 4.08Å; V56-I98 HydrophobicContact CG2-CG2 3.88Å; V56-F100 HydrophobicContact CG2-CZ 4.26Å
57	K	97.6	Very high	93.1	Very high	57 Å²	57	36.5 Å²	36.5	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.1	167.4	-76.5	172	167.2	157.9	0	109	L47 K48 E50 Y55	L47-K57 CarbonylContact C-O 3.6Å; L47-K57 WeakPolarHBondContact CA-O 3.28Å; K48-K57 HydrophobicContact CB-CB 4.35Å; K48-K57 PolarHBondContact N-O 2.75Å; K48-K57 PolarHBondContact O-N 3.39Å; E50-K57 WeakPolarHBondContact OE1-CD 3.43Å; E50-K57 WeakPolarHBondContact OE1-CE 3.45Å; E50-K57 IonicContact OE1-NZ 2.76Å; E50-K57 PolarHBondContact OE1-NZ 3.38Å; Y55-K57 HydrophobicContact CD2-CG 4.46Å; Y55-K57 HydrophobicContact CE2-CG 3.96Å
58	V	97.4	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.7	-179.3	-172.6	0	0	0	0	107.4	V45 L47 T66 V68 V73 E78 V79 I81 L87	V45-V58 HydrophobicContact CG2-CG1 3.38Å; L47-V58 HydrophobicContact CD2-CB 4.2Å; L47-V58 HydrophobicContact CD2-CG1 3.98Å; L47-V58 HydrophobicContact CD2-CG2 3.83Å; V58-T66 HydrophobicContact CG1-CG2 4.28Å; V58-V68 HydrophobicContact CB-CG2 4.35Å; V58-V68 HydrophobicContact CG1-CG2 4.41Å; V58-V68 HydrophobicContact CG2-CG2 4.04Å; V58-V73 HydrophobicContact CB-CG2 4.34Å; V58-V73 HydrophobicContact CG1-CG2 3.84Å; V58-V73 VanDerWaalsContact O-CG1 3.31Å; V58-V73 WeakPolarHBondContact O-CG1 3.31Å; V58-E78 WeakPolarHBondContact O-CA 3.36Å; V58-V79 PolarHBondContact N-O 2.91Å; V58-V79 PolarHBondContact O-N 2.95Å; V58-I81 HydrophobicContact CG2-CB 3.95Å; V58-I81 HydrophobicContact CG2-CG2 3.41Å; V58-I81 VanDerWaalsContact CG2-CG2 3.41Å; V58-L87 HydrophobicContact CG1-CD1 3.59Å; V58-L87 HydrophobicContact CG2-CD1 4.44Å
59	K	95.3	Very high	92.3	Very high	59 Å²	59	35.7 Å²	35.7	26%	0.257	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122	178.2	-174.5	178.4	-172.7	167	0	110.2	V45 E46 L61 N77 E78	V45-K59 CarbonylContact C-O 3.6Å; V45-K59 WeakPolarHBondContact CA-O 3.48Å; V45-K59 WeakPolarHBondContact CG2-O 3.46Å; E46-K59 HydrophobicContact CB-CB 4.24Å; E46-K59 PolarHBondContact N-O 2.93Å; E46-K59 PolarHBondContact O-N 2.82Å; K59-L61 HydrophobicContact CD-CD2 4.4Å; K59-L61 HydrophobicContact CG-CD2 4.41Å; K59-L61 PolarHBondContact O-N 2.85Å; K59-N77 WeakPolarHBondContact CA-O 3.09Å; K59-E78 HydrophobicContact CB-CG 4.01Å; K59-E78 HydrophobicContact CD-CG 4.11Å; K59-E78 HydrophobicContact CG-CG 4.03Å; K59-E78 IonicContact NZ-OE1 2.64Å
60	Q	93.1	Very high	91.1	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.033	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.9	177.3	-176.3	-173.9	-42.5	0	0	110.4	G62 N64 V73 G76	Q60-G62 PolarHBondContact NE2-O 3.18Å; Q60-N64 PolarHBondContact NE2-O 3.49Å; Q60-N64 VanDerWaalsContact NE2-O 3.1Å; Q60-V73 HydrophobicContact CB-CB 4.21Å; Q60-V73 HydrophobicContact CB-CG1 4.19Å; Q60-G76 PolarHBondContact O-N 3.11Å
61	L	92.2	Very high	90.1	Very high	54 Å²	54	44.4 Å²	44.4	28%	0.283	24%	0.243	S	C	.	.			trans	-103.2	-38.7	174.3	-59.1	-175.5	0	0	0	111.7	V26 Q43 Q44 E46 K59	V26-L61 HydrophobicContact CG1-CD1 3.98Å; V26-L61 HydrophobicContact CG2-CD1 4.06Å; Q43-L61 HydrophobicContact CB-CD1 4.41Å; Q43-L61 WeakPolarHBondContact O-CB 3.3Å; Q44-L61 PolarHBondContact O-N 3.19Å; E46-L61 HydrophobicContact CB-CD1 3.97Å; E46-L61 HydrophobicContact CB-CD2 4.44Å; E46-L61 HydrophobicContact CB-CG 4.14Å; K59-L61 HydrophobicContact CD-CD2 4.4Å; K59-L61 HydrophobicContact CG-CD2 4.41Å; K59-L61 PolarHBondContact O-N 2.85Å
62	G	89.1	Confident	89.5	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	-68.4	158.6	-177.8	0	0	0	0	0	113.7	Q43 Q44 Q60	Q43-G62 PolarHBondContact O-N 3.31Å; Q44-G62 PolarHBondContact O-N 3Å; Q60-G62 PolarHBondContact NE2-O 3.18Å
63	L	84.1	Confident	89.1	Confident	143 Å²	143	39.7 Å²	39.7	75%	0.749	22%	0.218	S	C	*	.	S	Bend	trans	-66.8	-38.8	178	-68.9	174.4	0	0	0	112.3
64	N	83.7	Confident	88	Confident	59 Å²	59	34.1 Å²	34.1	32%	0.316	20%	0.196	S	C	.	.	S	Bend	trans	-82.2	145.6	-178.1	-70.7	-55	0	0	0	111.1	K39 Q44 Q60 T66 V90	K39-N64 PolarHBondContact O-ND2 3.47Å; Q44-N64 PolarHBondContact NE2-O 2.84Å; Q60-N64 PolarHBondContact NE2-O 3.49Å; Q60-N64 VanDerWaalsContact NE2-O 3.1Å; N64-T66 PolarHBondContact O-N 2.87Å; N64-V90 HydrophobicContact CB-CG2 3.46Å; N64-V90 VanDerWaalsContact CB-CG2 3.46Å
65	P	90.1	Very high	87.1	Confident	20 Å²	20	39.3 Å²	39.3	13%	0.13	21%	0.211	C	C	.	.			trans	-49.9	129.1	-179.3	-33.9	36.8	0	0	0	115.6	V72 V90 N91 W159	P65-V72 HydrophobicContact CB-CG1 3.59Å; P65-V72 HydrophobicContact CB-CG2 4.3Å; P65-V90 CarbonylContact O-C 3.52Å; P65-V90 VanDerWaalsContact O-CA 3.23Å; P65-V90 WeakPolarHBondContact O-CA 3.35Å; P65-N91 WeakPolarHBondContact CD-OD1 3.41Å; P65-N91 PolarHBondContact O-N 3.35Å; P65-W159 HydrophobicContact CB-CZ2 4.05Å; P65-W159 HydrophobicContact CG-CZ2 3.49Å; P65-W159 VanDerWaalsContact CG-CZ2 3.49Å
66	T	94	Very high	85.8	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.			trans	-106.7	141.1	162.4	-66.2	0	0	0	0	108.4	Q44 V45 V58 N64 V72 V73 L87 H88 V89	Q44-T66 PolarHBondContact NE2-OG1 3.28Å; V45-T66 HydrophobicContact CB-CG2 4.07Å; V45-T66 HydrophobicContact CG2-CG2 3.92Å; V58-T66 HydrophobicContact CG1-CG2 4.28Å; N64-T66 PolarHBondContact O-N 2.87Å; T66-V72 CarbonylContact O-C 3.49Å; T66-V72 WeakPolarHBondContact O-CA 3.48Å; T66-V72 WeakPolarHBondContact O-CG1 3.33Å; T66-V73 HydrophobicContact CG2-CG2 4.3Å; T66-V73 PolarHBondContact O-N 3.14Å; T66-L87 HydrophobicContact CG2-CD1 3.68Å; T66-H88 WeakPolarHBondContact CG2-O 3.29Å; T66-V89 WeakPolarHBondContact CB-O 3.24Å; T66-V89 PolarHBondContact OG1-O 2.99Å
67	S	90.6	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.7	-177.7	61.2	0	0	0	0	114.3	V71 L87 H88 Q92	S67-V71 CarbonylContact C-O 3.51Å; S67-V71 WeakPolarHBondContact CA-O 3.46Å; S67-V71 VanDerWaalsContact CB-O 3.22Å; S67-V71 WeakPolarHBondContact CB-O 3.46Å; S67-L87 CarbonylContact O-C 3.51Å; S67-L87 WeakPolarHBondContact O-CA 3.47Å; S67-L87 WeakPolarHBondContact O-CD1 3.45Å; S67-H88 PolarHBondContact N-O 3.46Å; S67-H88 PolarHBondContact O-N 3.5Å; S67-H88 WeakPolarHBondContact OG-CB 3.43Å; S67-Q92 VanDerWaalsContact OG-CD 3.26Å; S67-Q92 PolarHBondContact OG-NE2 2.71Å; S67-Q92 PolarHBondContact OG-OE1 3.21Å
68	V	91.6	Very high	84	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.4	166.5	179.9	0	0	0	0	107.2	V58 C70 V71 V73 V79 I81 Q85 K86 L87	V58-V68 HydrophobicContact CB-CG2 4.35Å; V58-V68 HydrophobicContact CG1-CG2 4.41Å; V58-V68 HydrophobicContact CG2-CG2 4.04Å; V68-C70 PolarHBondContact O-N 3.48Å; V68-V71 PolarHBondContact N-O 3.06Å; V68-V71 PolarHBondContact O-N 3.12Å; V68-V73 HydrophobicContact CG2-CG2 4.27Å; V68-V79 HydrophobicContact CG2-CG1 4.45Å; V68-I81 HydrophobicContact CG1-CB 3.91Å; V68-I81 HydrophobicContact CG1-CD1 3.88Å; V68-I81 HydrophobicContact CG1-CG1 3.68Å; V68-I81 HydrophobicContact CG2-CB 4.13Å; V68-I81 HydrophobicContact CG2-CD1 4.3Å; V68-Q85 HydrophobicContact CG1-CB 4.24Å; V68-K86 CarbonylContact C-O 3.55Å; V68-K86 VanDerWaalsContact CA-O 3.29Å; V68-K86 WeakPolarHBondContact CA-O 3.39Å; V68-L87 HydrophobicContact CG2-CD1 4.16Å
69	D	86.6	Confident	83.7	Confident	56 Å²	56	49.6 Å²	49.6	30%	0.299	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-114.2	-166.5	-56.1	-40.9	0	0	0	110.9	Q85 K86 H88 Q92	D69-Q85 WeakPolarHBondContact OD1-CA 3.19Å; D69-Q85 WeakPolarHBondContact OD2-CG 3.4Å; D69-Q85 PolarHBondContact OD2-NE2 3.42Å; D69-K86 PolarHBondContact N-O 3.27Å; D69-K86 PolarHBondContact OD1-N 3.14Å; D69-H88 PolarHBondContact O-ND1 3.31Å; D69-Q92 PolarHBondContact O-NE2 3.01Å; D69-Q92 VanDerWaalsContact O-NE2 3.15Å
70	C	72.9	Confident	83.8	Confident	113 Å²	113	53.9 Å²	53.9	76%	0.764	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	4.2	176.6	-56.5	0	0	0	0	113.2	V68	V68-C70 PolarHBondContact O-N 3.48Å
71	V	73.4	Confident	83.9	Confident	82 Å²	82	53.6 Å²	53.6	50%	0.497	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.7	-174.8	-173.6	0	0	0	0	109.7	S67 V68	S67-V71 CarbonylContact C-O 3.51Å; S67-V71 WeakPolarHBondContact CA-O 3.46Å; S67-V71 VanDerWaalsContact CB-O 3.22Å; S67-V71 WeakPolarHBondContact CB-O 3.46Å; V68-V71 PolarHBondContact N-O 3.06Å; V68-V71 PolarHBondContact O-N 3.12Å
72	V	79.6	Confident	84	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140.4	171.7	-169.2	0	0	0	0	109.8	P65 T66 H158 W159	P65-V72 HydrophobicContact CB-CG1 3.59Å; P65-V72 HydrophobicContact CB-CG2 4.3Å; T66-V72 CarbonylContact O-C 3.49Å; T66-V72 WeakPolarHBondContact O-CA 3.48Å; T66-V72 WeakPolarHBondContact O-CG1 3.33Å; V72-H158 VanDerWaalsContact C-NE2 3.31Å; V72-H158 WeakPolarHBondContact CA-NE2 3.43Å; V72-H158 VanDerWaalsContact CB-CE1 3.45Å; V72-H158 WeakPolarHBondContact CB-CE1 3.44Å; V72-H158 WeakPolarHBondContact CB-NE2 3.5Å; V72-H158 PolarHBondContact N-NE2 2.79Å; V72-H158 PolarHBondContact O-CD2 3.16Å; V72-H158 PolarHBondContact O-NE2 3.36Å; V72-W159 HydrophobicContact CG2-CZ2 4.15Å
73	V	83.4	Confident	84.1	Confident	5 Å²	5	60 Å²	60	3%	0.03	32%	0.324	C	S	.	.			trans	-70.9	-44.7	179.3	178.9	0	0	0	0	110.5	V58 Q60 T66 V68 N77 V79	V58-V73 HydrophobicContact CB-CG2 4.34Å; V58-V73 HydrophobicContact CG1-CG2 3.84Å; V58-V73 VanDerWaalsContact O-CG1 3.31Å; V58-V73 WeakPolarHBondContact O-CG1 3.31Å; Q60-V73 HydrophobicContact CB-CB 4.21Å; Q60-V73 HydrophobicContact CB-CG1 4.19Å; T66-V73 HydrophobicContact CG2-CG2 4.3Å; T66-V73 PolarHBondContact O-N 3.14Å; V68-V73 HydrophobicContact CG2-CG2 4.27Å; V73-N77 VanDerWaalsContact CG1-O 3.3Å; V73-N77 WeakPolarHBondContact CG1-O 3.45Å; V73-N77 VanDerWaalsContact O-CB 3.24Å; V73-N77 WeakPolarHBondContact O-CB 3.03Å; V73-V79 HydrophobicContact CB-CG2 4.35Å; V73-V79 HydrophobicContact CG1-CB 4.41Å; V73-V79 HydrophobicContact CG1-CG2 4.1Å; V73-V79 HydrophobicContact CG2-CB 4.27Å; V73-V79 HydrophobicContact CG2-CG2 4.34Å
74	G	68.3	Low	84.2	Confident	9 Å²	9	56.7 Å²	56.7	9%	0.093	32%	0.324	C	S	.	.			trans	86	139.1	-175	0	0	0	0	0	111.7	G76 N77	G74-G76 PolarHBondContact O-N 3.35Å; G74-N77 PolarHBondContact O-N 2.83Å; G74-N77 VanDerWaalsContact O-N 3.14Å
75	K	72.8	Confident	84.4	Confident	134 Å²	134	56.6 Å²	56.6	58%	0.583	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-62.5	123.8	-174	-171	-177.6	179.7	-171.4	0	110.7	N77	K75-N77 VanDerWaalsContact C-N 3.26Å; K75-N77 PolarHBondContact O-N 2.73Å
76	G	67.5	Low	84.6	Confident	47 Å²	47	59.5 Å²	59.5	49%	0.485	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-14.1	-179.3	0	0	0	0	0	115.3	Q60 G74	Q60-G76 PolarHBondContact O-N 3.11Å; G74-G76 PolarHBondContact O-N 3.35Å
77	N	73.4	Confident	84.7	Confident	90 Å²	90	59.5 Å²	59.5	48%	0.481	33%	0.332	S	S	.	.			trans	-83.9	159.5	175.3	-67.3	-27	0	0	0	111.5	K59 V73 G74 K75	K59-N77 WeakPolarHBondContact CA-O 3.09Å; V73-N77 VanDerWaalsContact CG1-O 3.3Å; V73-N77 WeakPolarHBondContact CG1-O 3.45Å; V73-N77 VanDerWaalsContact O-CB 3.24Å; V73-N77 WeakPolarHBondContact O-CB 3.03Å; G74-N77 PolarHBondContact O-N 2.83Å; G74-N77 VanDerWaalsContact O-N 3.14Å; K75-N77 VanDerWaalsContact C-N 3.26Å; K75-N77 PolarHBondContact O-N 2.73Å
78	E	85.8	Confident	85	Confident	104 Å²	104	61 Å²	61	49%	0.486	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	177.7	-61.5	-172.6	-180	0	0	110.9	V58 K59	V58-E78 WeakPolarHBondContact O-CA 3.36Å; K59-E78 HydrophobicContact CB-CG 4.01Å; K59-E78 HydrophobicContact CD-CG 4.11Å; K59-E78 HydrophobicContact CG-CG 4.03Å; K59-E78 IonicContact NZ-OE1 2.64Å
79	V	90.9	Very high	85.2	Confident	44 Å²	44	60.7 Å²	60.7	27%	0.267	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.3	174	177.7	0	0	0	0	109.1	V58 V68 V73	V58-V79 PolarHBondContact N-O 2.91Å; V58-V79 PolarHBondContact O-N 2.95Å; V68-V79 HydrophobicContact CG2-CG1 4.45Å; V73-V79 HydrophobicContact CB-CG2 4.35Å; V73-V79 HydrophobicContact CG1-CB 4.41Å; V73-V79 HydrophobicContact CG1-CG2 4.1Å; V73-V79 HydrophobicContact CG2-CB 4.27Å; V73-V79 HydrophobicContact CG2-CG2 4.34Å
80	R	95.9	Very high	85.6	Confident	149 Å²	149	58 Å²	58	56%	0.562	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.8	176.1	-61.4	179.7	-172.6	169.5	2.5	110.1	Y55 V56	Y55-R80 HydrophobicContact CD2-CB 4.16Å; Y55-R80 HydrophobicContact CD2-CG 3.86Å; Y55-R80 HydrophobicContact CE2-CG 3.97Å; Y55-R80 HydrophobicContact CG-CB 4.44Å; Y55-R80 HydrophobicContact CG-CG 4.43Å; V56-R80 WeakPolarHBondContact O-CA 3.46Å
81	I	96.3	Very high	86.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.1	169.6	-171.2	172.8	0	0	0	109.9	Y55 V56 V58 V68 Q85 L87 I98	Y55-I81 WeakPolarHBondContact CA-O 3.33Å; Y55-I81 WeakPolarHBondContact CB-O 3.46Å; V56-I81 HydrophobicContact CB-CG2 3.72Å; V56-I81 HydrophobicContact CG1-CG2 4.35Å; V56-I81 PolarHBondContact N-O 3.33Å; V56-I81 WeakPolarHBondContact O-CG2 3.47Å; V56-I81 PolarHBondContact O-N 3.02Å; V58-I81 HydrophobicContact CG2-CB 3.95Å; V58-I81 HydrophobicContact CG2-CG2 3.41Å; V58-I81 VanDerWaalsContact CG2-CG2 3.41Å; V68-I81 HydrophobicContact CG1-CB 3.91Å; V68-I81 HydrophobicContact CG1-CD1 3.88Å; V68-I81 HydrophobicContact CG1-CG1 3.68Å; V68-I81 HydrophobicContact CG2-CB 4.13Å; V68-I81 HydrophobicContact CG2-CD1 4.3Å; I81-Q85 HydrophobicContact CD1-CB 4.28Å; I81-Q85 HydrophobicContact CG1-CB 3.74Å; I81-L87 HydrophobicContact CD1-CB 3.68Å; I81-I98 HydrophobicContact CD1-CG1 4.32Å; I81-I98 HydrophobicContact CG1-CG1 4.39Å; I81-I98 HydrophobicContact CG2-CD1 4.45Å; I81-I98 HydrophobicContact CG2-CG1 3.85Å
82	K	93.1	Very high	86.8	Confident	123 Å²	123	55.3 Å²	55.3	54%	0.535	30%	0.295	S	S	.	.			trans	-111.5	164.3	175.6	-67.2	-177.7	179.6	-179.2	0	111	G84 Q85	K82-G84 PolarHBondContact O-N 2.64Å; K82-Q85 WeakPolarHBondContact O-CB 3.25Å; K82-Q85 PolarHBondContact O-N 2.98Å
83	P	92.9	Very high	87.2	Confident	69 Å²	69	59 Å²	59	45%	0.448	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	139.7	171.3	-27.3	37.8	0	0	0	112	Q85 F100	P83-Q85 VanDerWaalsContact C-N 3.32Å; P83-F100 HydrophobicContact CG-CD2 3.57Å; P83-F100 HydrophobicContact CG-CE2 3.82Å
84	G	84.4	Confident	87.8	Confident	72 Å²	72	61.3 Å²	61.3	74%	0.742	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-17.3	-176.1	0	0	0	0	0	115.1	K82	K82-G84 PolarHBondContact O-N 2.64Å
85	Q	88.2	Confident	89.1	Confident	58 Å²	58	61.8 Å²	61.8	27%	0.271	32%	0.324	S	S	.	.			trans	-88.1	153.9	172	-60.3	-173.1	-82.6	0	0	111.2	V68 D69 I81 K82 P83	V68-Q85 HydrophobicContact CG1-CB 4.24Å; D69-Q85 WeakPolarHBondContact OD1-CA 3.19Å; D69-Q85 WeakPolarHBondContact OD2-CG 3.4Å; D69-Q85 PolarHBondContact OD2-NE2 3.42Å; I81-Q85 HydrophobicContact CD1-CB 4.28Å; I81-Q85 HydrophobicContact CG1-CB 3.74Å; K82-Q85 WeakPolarHBondContact O-CB 3.25Å; K82-Q85 PolarHBondContact O-N 2.98Å; P83-Q85 VanDerWaalsContact C-N 3.32Å
86	K	94.1	Very high	90.3	Very high	81 Å²	81	55.5 Å²	55.5	35%	0.352	30%	0.297	S	S	.	.			trans	-107.3	122.8	-174.6	-62.7	-165.5	-178.2	-152.4	0	112.5	E10 V68 D69 Y96	E10-K86 VanDerWaalsContact CD-NZ 3.3Å; E10-K86 WeakPolarHBondContact OE1-CD 3.35Å; E10-K86 WeakPolarHBondContact OE1-CE 3.49Å; E10-K86 IonicContact OE1-NZ 3.35Å; E10-K86 PolarHBondContact OE1-NZ 2.93Å; E10-K86 IonicContact OE2-NZ 2.9Å; E10-K86 PolarHBondContact OE2-NZ 2.68Å; V68-K86 CarbonylContact C-O 3.55Å; V68-K86 VanDerWaalsContact CA-O 3.29Å; V68-K86 WeakPolarHBondContact CA-O 3.39Å; D69-K86 PolarHBondContact N-O 3.27Å; D69-K86 PolarHBondContact OD1-N 3.14Å; K86-Y96 CarbonylContact C-O 3.55Å; K86-Y96 WeakPolarHBondContact CA-O 3.41Å
87	L	96.8	Very high	91.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.8	167.4	175.1	67.3	0	0	0	109.4	L7 L47 V58 T66 S67 V68 I81 P95 Y96	L7-L87 HydrophobicContact CD1-CD2 4.07Å; L47-L87 HydrophobicContact CD1-CD2 4.2Å; L47-L87 HydrophobicContact CD2-CD2 3.87Å; V58-L87 HydrophobicContact CG1-CD1 3.59Å; V58-L87 HydrophobicContact CG2-CD1 4.44Å; T66-L87 HydrophobicContact CG2-CD1 3.68Å; S67-L87 CarbonylContact O-C 3.51Å; S67-L87 WeakPolarHBondContact O-CA 3.47Å; S67-L87 WeakPolarHBondContact O-CD1 3.45Å; V68-L87 HydrophobicContact CG2-CD1 4.16Å; I81-L87 HydrophobicContact CD1-CB 3.68Å; L87-P95 CarbonylContact O-C 3.27Å; L87-P95 WeakPolarHBondContact O-CA 3.44Å; L87-Y96 PolarHBondContact N-O 2.86Å; L87-Y96 PolarHBondContact O-N 2.78Å
88	H	96.9	Very high	92.8	Very high	30 Å²	30	50.3 Å²	50.3	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.5	165	-55.9	85	0	0	0	109	T66 S67 D69 V90 Q92 L93	T66-H88 WeakPolarHBondContact CG2-O 3.29Å; S67-H88 PolarHBondContact N-O 3.46Å; S67-H88 PolarHBondContact O-N 3.5Å; S67-H88 WeakPolarHBondContact OG-CB 3.43Å; D69-H88 PolarHBondContact O-ND1 3.31Å; H88-V90 VanDerWaalsContact C-N 3.31Å; H88-V90 PolarHBondContact O-N 3.01Å; H88-Q92 VanDerWaalsContact CD2-C 3.41Å; H88-Q92 PolarHBondContact CD2-O 2.84Å; H88-L93 CarbonylContact C-O 3.55Å
89	V	95.5	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-40.1	-173	175.3	0	0	0	0	111.3	I35 Q44 V45 T66 L93 Y94 Y96	I35-V89 HydrophobicContact CD1-CB 4.12Å; I35-V89 HydrophobicContact CD1-CG1 3.94Å; I35-V89 HydrophobicContact CD1-CG2 4.29Å; Q44-V89 HydrophobicContact CB-CG1 4.12Å; Q44-V89 HydrophobicContact CG-CG1 3.74Å; Q44-V89 WeakPolarHBondContact CG-O 3.46Å; Q44-V89 PolarHBondContact NE2-O 2.77Å; V45-V89 HydrophobicContact CG1-CG1 4.46Å; T66-V89 WeakPolarHBondContact CB-O 3.24Å; T66-V89 PolarHBondContact OG1-O 2.99Å; V89-L93 PolarHBondContact N-O 3.22Å; V89-Y94 PolarHBondContact N-O 2.77Å; V89-Y96 HydrophobicContact CG2-CD2 3.51Å; V89-Y96 HydrophobicContact CG2-CE2 3.36Å
90	V	95.3	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	137.8	175.4	68.6	0	0	0	0	112.4	C40 Q44 N64 P65 H88 Q92 L93 Y94	C40-V90 HydrophobicContact CB-CB 4.33Å; C40-V90 HydrophobicContact CB-CG1 3.71Å; Q44-V90 HydrophobicContact CG-CB 4.43Å; N64-V90 HydrophobicContact CB-CG2 3.46Å; N64-V90 VanDerWaalsContact CB-CG2 3.46Å; P65-V90 CarbonylContact O-C 3.52Å; P65-V90 VanDerWaalsContact O-CA 3.23Å; P65-V90 WeakPolarHBondContact O-CA 3.35Å; H88-V90 VanDerWaalsContact C-N 3.31Å; H88-V90 PolarHBondContact O-N 3.01Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.47Å; V90-Q92 VanDerWaalsContact O-N 3.16Å; V90-L93 PolarHBondContact N-O 2.89Å; V90-L93 WeakPolarHBondContact O-CA 3.22Å; V90-L93 WeakPolarHBondContact O-CB 3.17Å; V90-L93 PolarHBondContact O-N 3.46Å; V90-Y94 HydrophobicContact CG1-CD2 3.8Å; V90-Y94 HydrophobicContact CG1-CE2 3.85Å
91	N	86.1	Confident	93.1	Very high	55 Å²	55	47.8 Å²	47.8	29%	0.294	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.3	170.1	-64.1	-32.1	0	0	0	115.4	P65 L93	P65-N91 WeakPolarHBondContact CD-OD1 3.41Å; P65-N91 PolarHBondContact O-N 3.35Å; N91-L93 PolarHBondContact O-N 2.93Å
92	Q	85.6	Confident	92.5	Very high	83 Å²	83	55.1 Å²	55.1	39%	0.388	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.8	-173.4	-51.7	-54.8	108.8	0	0	114.9	S67 D69 H88 V90	S67-Q92 VanDerWaalsContact OG-CD 3.26Å; S67-Q92 PolarHBondContact OG-NE2 2.71Å; S67-Q92 PolarHBondContact OG-OE1 3.21Å; D69-Q92 PolarHBondContact O-NE2 3.01Å; D69-Q92 VanDerWaalsContact O-NE2 3.15Å; H88-Q92 VanDerWaalsContact CD2-C 3.41Å; H88-Q92 PolarHBondContact CD2-O 2.84Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.47Å; V90-Q92 VanDerWaalsContact O-N 3.16Å
93	L	88	Confident	90.9	Very high	86 Å²	86	52.1 Å²	52.1	45%	0.45	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	162.2	176.1	-58.3	175.6	0	0	0	110.6	H88 V89 V90 N91	H88-L93 CarbonylContact C-O 3.55Å; V89-L93 PolarHBondContact N-O 3.22Å; V90-L93 PolarHBondContact N-O 2.89Å; V90-L93 WeakPolarHBondContact O-CA 3.22Å; V90-L93 WeakPolarHBondContact O-CB 3.17Å; V90-L93 PolarHBondContact O-N 3.46Å; N91-L93 PolarHBondContact O-N 2.93Å
94	Y	95.8	Very high	89	Confident	53 Å²	53	56 Å²	56	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.3	72	-178.7	-45.1	-70.5	0	0	0	111.5	I35 D37 V89 V90 Y96	I35-Y94 HydrophobicContact CD1-CD1 4.3Å; I35-Y94 HydrophobicContact CD1-CD2 4.12Å; I35-Y94 HydrophobicContact CD1-CG 3.8Å; I35-Y94 HydrophobicContact CG1-CD1 3.91Å; I35-Y94 HydrophobicContact CG1-CD2 4.38Å; I35-Y94 HydrophobicContact CG1-CE1 4.35Å; I35-Y94 HydrophobicContact CG1-CG 3.92Å; I35-Y94 HydrophobicContact CG2-CD2 4.2Å; I35-Y94 HydrophobicContact CG2-CE1 4.34Å; I35-Y94 HydrophobicContact CG2-CE2 3.92Å; D37-Y94 HydrophobicContact CB-CE2 3.99Å; D37-Y94 VanDerWaalsContact CB-OH 3.31Å; D37-Y94 WeakPolarHBondContact CB-OH 3.33Å; V89-Y94 PolarHBondContact N-O 2.77Å; V90-Y94 HydrophobicContact CG1-CD2 3.8Å; V90-Y94 HydrophobicContact CG1-CE2 3.85Å; Y94-Y96 WeakPolarHBondContact O-CD2 3.43Å; Y94-Y96 WeakPolarHBondContact O-CE2 3.39Å
95	P	95.8	Very high	87.4	Confident	19 Å²	19	58 Å²	58	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.2	-179.1	28.8	-32.2	0	0	0	112.4	E10 L87	E10-P95 HydrophobicContact CB-CB 4.4Å; E10-P95 HydrophobicContact CB-CG 4.12Å; E10-P95 HydrophobicContact CG-CB 4.26Å; E10-P95 PolarHBondContact N-O 2.84Å; L87-P95 CarbonylContact O-C 3.27Å; L87-P95 WeakPolarHBondContact O-CA 3.44Å
96	Y	97.8	Very high	85.2	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154	174.9	-68.8	-104.7	0	0	0	111.1	L7 V8 S9 H14 K86 L87 V89 Y94	L7-Y96 HydrophobicContact CD1-CD1 4.04Å; L7-Y96 HydrophobicContact CD1-CG 4.07Å; L7-Y96 HydrophobicContact CD2-CD1 3.91Å; L7-Y96 HydrophobicContact CD2-CE1 4.23Å; L7-Y96 HydrophobicContact CD2-CG 4.42Å; L7-Y96 HydrophobicContact CG-CD1 3.6Å; L7-Y96 HydrophobicContact CG-CE1 4.32Å; L7-Y96 HydrophobicContact CG-CG 4.13Å; V8-Y96 CarbonylContact O-C 3.48Å; V8-Y96 WeakPolarHBondContact O-CA 3.27Å; V8-Y96 WeakPolarHBondContact O-CB 3.43Å; S9-Y96 VanDerWaalsContact CA-CD1 3.45Å; H14-Y96 AromaticContact CE1-CE1 3.72Å; H14-Y96 AromaticContact NE2-CE1 3.32Å; H14-Y96 VanDerWaalsContact NE2-CE1 3.32Å; H14-Y96 WeakPolarHBondContact NE2-CE1 3.35Å; H14-Y96 AromaticContact NE2-CZ 3.55Å; H14-Y96 PolarHBondContact NE2-OH 3.46Å; K86-Y96 CarbonylContact C-O 3.55Å; K86-Y96 WeakPolarHBondContact CA-O 3.41Å; L87-Y96 PolarHBondContact N-O 2.86Å; L87-Y96 PolarHBondContact O-N 2.78Å; V89-Y96 HydrophobicContact CG2-CD2 3.51Å; V89-Y96 HydrophobicContact CG2-CE2 3.36Å; Y94-Y96 WeakPolarHBondContact O-CD2 3.43Å; Y94-Y96 WeakPolarHBondContact O-CE2 3.39Å
97	T	96.5	Very high	82.4	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.16	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.7	171.9	55.8	0	0	0	0	111	V8 E10	V8-T97 PolarHBondContact N-O 2.85Å; V8-T97 PolarHBondContact O-N 2.76Å; E10-T97 HydrophobicContact CG-CG2 4.05Å; E10-T97 VanDerWaalsContact OE1-CG2 3.29Å; E10-T97 WeakPolarHBondContact OE1-CG2 3.47Å
98	I	96.9	Very high	79.7	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.9	175.3	-57.7	-55	0	0	0	110	C5 W6 L7 L19 V56 I81 F100	C5-I98 VanDerWaalsContact SG-CG2 3.53Å; W6-I98 WeakPolarHBondContact O-CA 3.48Å; L7-I98 HydrophobicContact CD1-CD1 3.61Å; L19-I98 HydrophobicContact CD1-CD1 3.99Å; V56-I98 HydrophobicContact CB-CD1 4.42Å; V56-I98 HydrophobicContact CB-CG1 4.45Å; V56-I98 HydrophobicContact CG2-CD1 3.99Å; V56-I98 HydrophobicContact CG2-CG1 4.08Å; V56-I98 HydrophobicContact CG2-CG2 3.88Å; I81-I98 HydrophobicContact CD1-CG1 4.32Å; I81-I98 HydrophobicContact CG1-CG1 4.39Å; I81-I98 HydrophobicContact CG2-CD1 4.45Å; I81-I98 HydrophobicContact CG2-CG1 3.85Å; I98-F100 HydrophobicContact CG2-CD2 4.07Å; I98-F100 HydrophobicContact CG2-CE2 3.53Å; I98-F100 HydrophobicContact CG2-CZ 3.94Å
99	Q	95.4	Very high	76.4	Confident	76 Å²	76	74.8 Å²	74.8	36%	0.355	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	172.3	-64.5	-173.8	0.7	0	0	110.5	C5 W6 V8	C5-Q99 CarbonylContact C-O 3.42Å; C5-Q99 WeakPolarHBondContact CA-O 3.01Å; W6-Q99 PolarHBondContact N-O 2.94Å; W6-Q99 PolarHBondContact O-N 3.14Å; V8-Q99 HydrophobicContact CG2-CB 4.34Å; V8-Q99 HydrophobicContact CG2-CG 3.94Å
100	F	93.7	Very high	73.2	Confident	48 Å²	48	79.6 Å²	79.6	21%	0.211	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.5	167.7	-67.5	-83.3	0	0	0	108.4	P3 I4 C5 C51 G54 V56 P83 I98	P3-F100 HydrophobicContact CB-CB 4.13Å; P3-F100 HydrophobicContact CB-CD1 4.33Å; P3-F100 HydrophobicContact CG-CD1 4.28Å; I4-F100 WeakPolarHBondContact O-CA 3.36Å; C5-F100 HydrophobicContact CB-CD1 3.78Å; C5-F100 HydrophobicContact CB-CE1 3.5Å; C5-F100 VanDerWaalsContact CB-CE1 3.5Å; C5-F100 HydrophobicContact CB-CZ 4.3Å; C5-F100 VanDerWaalsContact SG-CE1 3.52Å; C51-F100 HydrophobicContact CB-CE1 4.29Å; G54-F100 WeakPolarHBondContact O-CE2 3.44Å; V56-F100 HydrophobicContact CG2-CZ 4.26Å; P83-F100 HydrophobicContact CG-CD2 3.57Å; P83-F100 HydrophobicContact CG-CE2 3.82Å; I98-F100 HydrophobicContact CG2-CD2 4.07Å; I98-F100 HydrophobicContact CG2-CE2 3.53Å; I98-F100 HydrophobicContact CG2-CZ 3.94Å
101	K	89.7	Confident	70.4	Confident	119 Å²	119	87.1 Å²	87.1	52%	0.517	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	175.4	-66	-176.2	179.8	-180	0	109.4	P3 I4	P3-K101 CarbonylContact C-O 3.6Å; P3-K101 WeakPolarHBondContact CA-O 3.39Å; I4-K101 PolarHBondContact N-O 3.3Å; I4-K101 PolarHBondContact O-N 2.78Å
102	E	83.7	Confident	67.6	Low	154 Å²	154	94.1 Å²	94.1	72%	0.72	49%	0.49	S	S	*	.			trans	-71.7	136.7	172.2	-65.4	-171.1	168.1	0	0	109.9	L104	E102-L104 PolarHBondContact O-N 2.86Å
103	D	60.4	Low	64.8	Low	60 Å²	60	95.5 Å²	95.5	32%	0.321	51%	0.508	S	S	.	.			trans	-76	91.8	173	-158.6	-12.9	0	0	0	109.1	K1 I4 T105	K1-D103 WeakPolarHBondContact CD-O 3.46Å; K1-D103 PolarHBondContact NZ-O 2.85Å; K1-D103 VanDerWaalsContact NZ-O 3.13Å; I4-D103 HydrophobicContact CD1-CB 4.23Å; I4-D103 HydrophobicContact CG1-CB 4.45Å; D103-T105 PolarHBondContact O-N 2.77Å; D103-T105 PolarHBondContact OD1-N 3.23Å; D103-T105 PolarHBondContact OD1-OG1 2.96Å
104	L	51.7	Low	61.9	Low	151 Å²	151	97 Å²	97	79%	0.791	52%	0.524	S	S	*	.			trans	-71	1.8	176.6	-71	175.3	0	0	0	112.9	E102 G106	E102-L104 PolarHBondContact O-N 2.86Å; L104-G106 PolarHBondContact O-N 3.49Å; L104-G106 VanDerWaalsContact O-N 3.14Å
105	T	50.6	Low	58.5	Low	114 Å²	114	105.7 Å²	105.7	70%	0.699	56%	0.556	S	S	*	*			trans	-83.1	102.7	176.5	65.1	0	0	0	0	110.8	K1 D103	K1-T105 VanDerWaalsContact NZ-C 3.29Å; K1-T105 PolarHBondContact NZ-O 2.88Å; D103-T105 PolarHBondContact O-N 2.77Å; D103-T105 PolarHBondContact OD1-N 3.23Å; D103-T105 PolarHBondContact OD1-OG1 2.96Å
106	G	43.5	Very low	55.2	Low	46 Å²	46	114.2 Å²	114.2	47%	0.474	59%	0.594	S	S	.	*			trans	-165.4	67.1	169.9	0	0	0	0	0	107.6	L104	L104-G106 PolarHBondContact O-N 3.49Å; L104-G106 VanDerWaalsContact O-N 3.14Å
107	H	35.3	Very low	51.8	Low	187 Å²	187	122.5 Å²	122.5	87%	0.866	63%	0.633	S	S	*	*			trans	-169.9	136.2	143.4	-109.4	-71.3	0	0	0	110.9
108	H	39.5	Very low	48.2	Very low	184 Å²	184	127.2 Å²	127.2	85%	0.852	66%	0.662	S	S	*	*			trans	-51.7	134.8	164.9	-75.7	-100.8	0	0	0	111.8
109	S	27.5	Very low	44.8	Very low	104 Å²	104	133 Å²	133	73%	0.727	70%	0.702	S	S	*	*			trans	-177.4	112.8	136.1	54.2	0	0	0	0	111.2
110	S	27.7	Very low	41.4	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	72%	0.723	S	S	*	*			trans	52.2	110	136.8	47.2	0	0	0	0	120.5
111	I	37	Very low	38	Very low	159 Å²	159	142 Å²	142	82%	0.815	75%	0.75	S	S	*	*				39.8	111.1	126.1	-52.3	170.5	0	0	0	115.9
112	K	26.7	Very low	34.9	Very low	202 Å²	202	140.9 Å²	140.9	88%	0.878	76%	0.757	S	S	*	*				-172.2	103.7	127.5	-99	159.8	-169.7	-173.8	0	110.2
113	S	26.8	Very low	32	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-83.9	141.1	163.2	-167.1	0	0	0	0	109
114	P	27.6	Very low	30.4	Very low	119 Å²	119	143 Å²	143	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-71.3	138.8	159	-11.7	28.4	0	0	0	109.7
115	R	24.9	Very low	29.1	Very low	235 Å²	235	144.2 Å²	144.2	89%	0.887	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-63	135	173.8	-78	168.3	162.8	167.6	-6.6	110.8
116	E	25.9	Very low	27.9	Very low	198 Å²	198	148 Å²	148	93%	0.925	79%	0.79	S	S	*	*			trans	-132.2	141.2	138.6	-84.7	-170.4	142.1	0	0	109.6
117	Q	25.9	Very low	26.9	Very low	176 Å²	176	152.2 Å²	152.2	82%	0.822	80%	0.802	S	S	*	*			trans	-84.6	133.1	-164.1	-77.4	168.8	-45.2	0	0	112.1
118	T	21.2	Very low	26.5	Very low	125 Å²	125	149.5 Å²	149.5	77%	0.767	80%	0.798	S	S	*	*			trans	29.7	120.8	137.1	56.6	0	0	0	0	119.8
119	S	26.3	Very low	25.7	Very low	123 Å²	123	148.2 Å²	148.2	86%	0.86	79%	0.793	S	S	*	*				-147	127.8	122.8	53.8	0	0	0	0	110.5
120	E	23.1	Very low	25.6	Very low	168 Å²	168	150 Å²	150	79%	0.785	80%	0.8	S	S	*	*			trans	-79.9	143.3	179	-59	168.4	143.9	0	0	110.3
121	N	23.2	Very low	25.4	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	80%	0.804	S	S	*	*				173.1	142	100.6	-102.2	-24.4	0	0	0	114.5
122	S	24.8	Very low	24.8	Very low	96 Å²	96	155.1 Å²	155.1	67%	0.671	81%	0.809	S	S	*	*			trans	67.5	108.7	147.6	-83.1	0	0	0	0	122.8
123	D	22.9	Very low	24.7	Very low	145 Å²	145	149.8 Å²	149.8	78%	0.775	80%	0.803	S	S	*	*				60.1	112.3	115.1	-93.5	-22.5	0	0	0	119.3
124	S	26.5	Very low	25	Very low	112 Å²	112	150 Å²	150	78%	0.783	80%	0.802	S	S	*	*				166.8	126.4	102.6	-73.2	0	0	0	0	112.6
125	Q	24.2	Very low	24.8	Very low	178 Å²	178	154.7 Å²	154.7	83%	0.832	81%	0.81	S	S	*	*			trans	-25.3	142.2	160.3	-63.6	165.3	-19.8	0	0	118.6
126	K	26.4	Very low	24.7	Very low	192 Å²	192	152 Å²	152	84%	0.835	81%	0.808	S	S	*	*				155.7	103.1	123.1	-85.7	172.2	-177.1	177.7	0	108.4
127	N	22.5	Very low	24.5	Very low	135 Å²	135	152.7 Å²	152.7	72%	0.722	81%	0.807	S	S	*	*				39.2	109.5	86	-153.7	15.1	0	0	0	113.4
128	V	26.4	Very low	24.3	Very low	130 Å²	130	149.6 Å²	149.6	79%	0.788	80%	0.801	S	S	*	*				-173.5	128.9	112.5	162.7	0	0	0	0	109.7
129	Q	22.8	Very low	24.3	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	81%	0.805	S	S	*	*			trans	-63.5	148.7	169.7	-60.2	158.9	-15.9	0	0	111.6
130	T	24.1	Very low	24.1	Very low	142 Å²	142	149.2 Å²	149.2	87%	0.871	80%	0.804	S	S	*	*				-153.5	114.1	129.8	-13.4	0	0	0	0	111.9
131	L	24.8	Very low	24.1	Very low	152 Å²	152	147 Å²	147	80%	0.796	81%	0.807	S	S	*	*			trans	-66	147.5	162.1	-69.3	147.7	0	0	0	109.9
132	K	24.6	Very low	24.7	Very low	214 Å²	214	145.7 Å²	145.7	93%	0.93	81%	0.806	S	S	*	*				-173.4	126.7	121.7	-100.1	167.5	-174.4	-177.4	0	111.5
133	A	24.5	Very low	24.6	Very low	90 Å²	90	147.2 Å²	147.2	74%	0.744	82%	0.816	S	S	*	*			trans	-93	-151.6	172.8	0	0	0	0	0	110.1
134	P	31.5	Very low	24.6	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	82%	0.818	S	S	*	*				-121.9	174.8	-90.1	35.8	-19.1	0	0	0	111.8
135	K	23.9	Very low	24.3	Very low	217 Å²	217	147.3 Å²	147.3	94%	0.943	82%	0.821	S	S	*	*			trans	-141.4	112.5	158.1	-77.9	-169.3	178.3	174.2	0	112.7
136	Q	22.4	Very low	24.2	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	83%	0.825	S	S	*	*			trans	-78.6	154.8	155.7	-76	173.1	-54.4	0	0	110.3
137	K	22.6	Very low	24.1	Very low	211 Å²	211	142.4 Å²	142.4	92%	0.917	82%	0.82	S	S	*	*			trans	-141	128.5	142.6	-80.2	-165.1	176.6	-177.9	0	110.7
138	T	21.4	Very low	24.3	Very low	112 Å²	112	145.2 Å²	145.2	69%	0.687	83%	0.829	S	S	*	*			trans	-76.1	176.1	165.4	45.6	0	0	0	0	110.1
139	N	22.6	Very low	24.2	Very low	160 Å²	160	145.7 Å²	145.7	86%	0.856	83%	0.827	S	S	*	*			cis	-172	163.2	-3.9	-108	-3.7	0	0	0	106.8
140	G	21.7	Very low	24.6	Very low	80 Å²	80	144.5 Å²	144.5	83%	0.825	83%	0.831	S	S	*	*			trans	146.5	109.7	148.6	0	0	0	0	0	118.3
141	S	22.7	Very low	24.8	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	83%	0.827	S	S	*	*			trans	-97.1	-164.9	168.2	-48.6	0	0	0	0	110.2
142	P	36.4	Very low	25	Very low	117 Å²	117	147.9 Å²	147.9	76%	0.76	83%	0.829	S	S	*	*			cis	-140.8	177.6	-3.9	40.1	-20.2	0	0	0	115.7
143	S	22.3	Very low	25.1	Very low	128 Å²	128	142.9 Å²	142.9	90%	0.895	82%	0.821	S	S	*	*			trans	-174.6	148.1	147.1	-85.5	0	0	0	0	112.8
144	V	22.4	Very low	25.3	Very low	135 Å²	135	147 Å²	147	82%	0.818	83%	0.825	S	S	*	*			trans	-112.8	141.9	-167.9	170.3	0	0	0	0	110.5
145	C	19.4	Very low	25.1	Very low	124 Å²	124	148.9 Å²	148.9	84%	0.838	83%	0.829	S	S	*	*				173.7	153.8	127.1	54	0	0	0	0	114.2
146	H	23.4	Very low	25.6	Very low	197 Å²	197	144.8 Å²	144.8	91%	0.912	82%	0.822	S	S	*	*			trans	-60.6	157.1	-167.4	-69.6	-56.6	0	0	0	118.3
147	G	23.5	Very low	26.1	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	80%	0.797	S	S	*	*			trans	-172.5	103.1	159.1	0	0	0	0	0	110.2
148	E	27.3	Very low	27.1	Very low	194 Å²	194	129.3 Å²	129.3	91%	0.907	76%	0.761	S	S	*	*			trans	-54.8	132.4	172.8	-71	166	114.8	0	0	110.8
149	N	24.9	Very low	27.9	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	75%	0.752	S	S	*	*			trans	-142.1	102.5	161.4	-150.4	2.6	0	0	0	109.5	Q151	N149-Q151 VanDerWaalsContact C-N 3.3Å; N149-Q151 PolarHBondContact O-N 2.98Å
150	T	30	Very low	28.8	Very low	133 Å²	133	123 Å²	123	82%	0.816	72%	0.715	S	S	*	*			trans	-65.5	84.4	177	-45.5	0	0	0	0	109.5	K152	T150-K152 PolarHBondContact O-N 3.03Å
151	Q	28.4	Very low	30.4	Very low	168 Å²	168	122.2 Å²	122.2	79%	0.785	69%	0.689	S	S	*	*			trans	-80.9	104.2	169	-74.5	-167.4	-18.8	0	0	109.2	N149 S153	N149-Q151 VanDerWaalsContact C-N 3.3Å; N149-Q151 PolarHBondContact O-N 2.98Å; Q151-S153 PolarHBondContact O-N 3.12Å
152	K	29.4	Very low	32.6	Very low	196 Å²	196	117.4 Å²	117.4	85%	0.852	66%	0.659	S	S	*	*			trans	-52	102.4	157.8	-85.2	178	173	176.5	0	107.8	T150 E154	T150-K152 PolarHBondContact O-N 3.03Å; K152-E154 PolarHBondContact O-N 2.83Å; K152-E154 VanDerWaalsContact O-N 3.14Å
153	S	25.7	Very low	34.5	Very low	109 Å²	109	112.2 Å²	112.2	76%	0.762	63%	0.625	S	S	*	*			trans	-73.6	104	169.9	69.2	0	0	0	0	107.8	Q151 N155	Q151-S153 PolarHBondContact O-N 3.12Å; S153-N155 PolarHBondContact O-N 2.77Å; S153-N155 VanDerWaalsContact O-N 3.12Å
154	E	29.9	Very low	37.2	Very low	178 Å²	178	109.9 Å²	109.9	83%	0.832	60%	0.599	S	S	*	*			trans	-56.7	116.6	169.2	-68.6	-175.1	154.3	0	0	108.8	K152 V156	K152-E154 PolarHBondContact O-N 2.83Å; K152-E154 VanDerWaalsContact O-N 3.14Å; E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.1Å
155	N	27.4	Very low	40	Very low	154 Å²	154	106.9 Å²	106.9	82%	0.824	58%	0.58	S	S	*	*			trans	-75.8	85.5	-174.7	-157.1	10.2	0	0	0	108	S153 G157	S153-N155 PolarHBondContact O-N 2.77Å; S153-N155 VanDerWaalsContact O-N 3.12Å; N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 2.95Å
156	V	33	Very low	43.1	Very low	131 Å²	131	102.2 Å²	102.2	79%	0.794	55%	0.549	S	S	*	.			trans	-69.9	90.3	174.8	-177.3	0	0	0	0	108	E154	E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.1Å
157	G	33.8	Very low	46.1	Very low	32 Å²	32	93.3 Å²	93.3	33%	0.33	51%	0.508	S	S	.	.			trans	-58.6	147.4	-179.6	0	0	0	0	0	113.1	N155 W159	N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 2.95Å; G157-W159 PolarHBondContact O-N 3.02Å
158	H	43.6	Very low	49	Very low	35 Å²	35	97.2 Å²	97.2	16%	0.162	51%	0.507	C	S	.	.			trans	-37.7	128.4	167.6	-175.7	-86.8	0	0	0	113.4	V72 S160 Q161 G162	V72-H158 VanDerWaalsContact C-NE2 3.31Å; V72-H158 WeakPolarHBondContact CA-NE2 3.43Å; V72-H158 VanDerWaalsContact CB-CE1 3.45Å; V72-H158 WeakPolarHBondContact CB-CE1 3.44Å; V72-H158 WeakPolarHBondContact CB-NE2 3.5Å; V72-H158 PolarHBondContact N-NE2 2.79Å; V72-H158 PolarHBondContact O-CD2 3.16Å; V72-H158 PolarHBondContact O-NE2 3.36Å; H158-S160 VanDerWaalsContact C-N 3.26Å; H158-S160 PolarHBondContact CE1-OG 3.36Å; H158-S160 PolarHBondContact ND1-N 2.85Å; H158-S160 PolarHBondContact ND1-OG 2.79Å; H158-S160 PolarHBondContact O-N 2.83Å; H158-S160 VanDerWaalsContact O-N 3.1Å; H158-Q161 HydrophobicContact CB-CB 4.05Å; H158-Q161 HydrophobicContact CB-CG 3.94Å; H158-Q161 PolarHBondContact ND1-N 2.89Å; H158-Q161 CarbonylContact O-C 3.5Å; H158-Q161 VanDerWaalsContact O-C 3.27Å; H158-Q161 VanDerWaalsContact O-CA 3.25Å; H158-Q161 WeakPolarHBondContact O-CA 3.5Å; H158-Q161 WeakPolarHBondContact O-CB 3.33Å; H158-Q161 PolarHBondContact O-N 2.93Å; H158-G162 PolarHBondContact O-N 2.96Å
159	W	38	Very low	51.6	Low	130 Å²	130	90.9 Å²	90.9	49%	0.492	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.1	-173.6	71.2	-87.2	0	0	0	114.6	P65 V72 G157 Q161 G162	P65-W159 HydrophobicContact CB-CZ2 4.05Å; P65-W159 HydrophobicContact CG-CZ2 3.49Å; P65-W159 VanDerWaalsContact CG-CZ2 3.49Å; V72-W159 HydrophobicContact CG2-CZ2 4.15Å; G157-W159 PolarHBondContact O-N 3.02Å; W159-Q161 VanDerWaalsContact C-N 3.3Å; W159-G162 WeakPolarHBondContact O-CA 3.29Å; W159-G162 PolarHBondContact O-N 3.32Å
160	S	41.8	Very low	54.2	Low	10 Å²	10	88.9 Å²	88.9	7%	0.07	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-76.7	-17.2	174.3	97.2	0	0	0	0	113.5	H158 G162 S249	H158-S160 VanDerWaalsContact C-N 3.26Å; H158-S160 PolarHBondContact CE1-OG 3.36Å; H158-S160 PolarHBondContact ND1-N 2.85Å; H158-S160 PolarHBondContact ND1-OG 2.79Å; H158-S160 PolarHBondContact O-N 2.83Å; H158-S160 VanDerWaalsContact O-N 3.1Å; S160-G162 VanDerWaalsContact C-N 3.3Å; S160-S249 PolarHBondContact O-OG 3.21Å; S160-S249 PolarHBondContact OG-OG 2.81Å
161	Q	55.3	Low	56.6	Low	63 Å²	63	91.2 Å²	91.2	29%	0.294	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-92.7	3.5	166.1	-58.5	-62.8	-30.3	0	0	110.8	H158 W159 L163 K164 T165 S249	H158-Q161 HydrophobicContact CB-CB 4.05Å; H158-Q161 HydrophobicContact CB-CG 3.94Å; H158-Q161 PolarHBondContact ND1-N 2.89Å; H158-Q161 CarbonylContact O-C 3.5Å; H158-Q161 VanDerWaalsContact O-C 3.27Å; H158-Q161 VanDerWaalsContact O-CA 3.25Å; H158-Q161 WeakPolarHBondContact O-CA 3.5Å; H158-Q161 WeakPolarHBondContact O-CB 3.33Å; H158-Q161 PolarHBondContact O-N 2.93Å; W159-Q161 VanDerWaalsContact C-N 3.3Å; Q161-L163 PolarHBondContact O-N 3.3Å; Q161-L163 VanDerWaalsContact O-N 3.12Å; Q161-K164 WeakPolarHBondContact O-CA 3.39Å; Q161-K164 WeakPolarHBondContact O-CB 3.34Å; Q161-K164 PolarHBondContact O-N 3.48Å; Q161-T165 PolarHBondContact O-N 3.28Å; Q161-S249 PolarHBondContact NE2-OG 3.43Å
162	G	68.1	Low	59	Low	21 Å²	21	85 Å²	85	22%	0.216	45%	0.448	C	S	.	.	H	α-helix	trans	-55.6	-31.5	177.9	0	0	0	0	0	111.4	H158 W159 S160 T165 S166	H158-G162 PolarHBondContact O-N 2.96Å; W159-G162 WeakPolarHBondContact O-CA 3.29Å; W159-G162 PolarHBondContact O-N 3.32Å; S160-G162 VanDerWaalsContact C-N 3.3Å; G162-T165 PolarHBondContact O-N 3.04Å; G162-S166 WeakPolarHBondContact O-CB 3.38Å; G162-S166 PolarHBondContact O-N 2.8Å; G162-S166 PolarHBondContact O-OG 2.8Å
163	L	76.4	Confident	61.8	Low	8 Å²	8	77.4 Å²	77.4	4%	0.042	42%	0.415	C	S	.	.	H	α-helix	trans	-60	-45.3	170.2	-74.6	178.8	0	0	0	112.7	Q161 T165 S166 M167 I183 L195 L197 M248 H252	Q161-L163 PolarHBondContact O-N 3.3Å; Q161-L163 VanDerWaalsContact O-N 3.12Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 3.45Å; L163-S166 CarbonylContact O-C 3.53Å; L163-S166 PolarHBondContact O-N 2.71Å; L163-M167 WeakPolarHBondContact O-CB 3.48Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.2Å; L163-I183 HydrophobicContact CD2-CD1 4.21Å; L163-L195 HydrophobicContact CD2-CD1 3.71Å; L163-L197 HydrophobicContact CB-CD2 4.03Å; L163-L197 HydrophobicContact CD1-CD2 3.93Å; L163-L197 HydrophobicContact CD2-CD2 4.02Å; L163-L197 HydrophobicContact CG-CD2 4.21Å; L163-M248 HydrophobicContact CD1-CB 3.75Å; L163-M248 HydrophobicContact CD1-CE 3.65Å; L163-M248 HydrophobicContact CD1-CG 4.42Å; L163-M248 HydrophobicContact CD1-SD 3.89Å; L163-M248 HydrophobicContact CD2-CE 3.74Å; L163-M248 HydrophobicContact CD2-SD 4.11Å; L163-M248 HydrophobicContact CG-CB 4.37Å; L163-M248 HydrophobicContact CG-CE 3.71Å; L163-M248 HydrophobicContact CG-SD 3.6Å; L163-M248 VanDerWaalsContact CG-SD 3.6Å; L163-H252 WeakPolarHBondContact CD1-ND1 2.99Å
164	K	79	Confident	64.7	Low	79 Å²	79	75.6 Å²	75.6	34%	0.343	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-36.8	178.6	-65.3	-164.9	-175.7	-179.6	0	112	Q161 Q168 S201	Q161-K164 WeakPolarHBondContact O-CA 3.39Å; Q161-K164 WeakPolarHBondContact O-CB 3.34Å; Q161-K164 PolarHBondContact O-N 3.48Å; K164-Q168 PolarHBondContact O-N 2.94Å; K164-S201 PolarHBondContact NZ-OG 3.41Å; K164-S201 VanDerWaalsContact NZ-OG 3.15Å
165	T	82.5	Confident	67.6	Low	71 Å²	71	69.6 Å²	69.6	44%	0.436	37%	0.37	S	S	.	.	H	α-helix	trans	-65.8	-48.5	172.3	-53.8	0	0	0	0	110.8	Q161 G162 L163 M167 Q168 D169	Q161-T165 PolarHBondContact O-N 3.28Å; G162-T165 PolarHBondContact O-N 3.04Å; L163-T165 VanDerWaalsContact C-N 3.3Å; L163-T165 PolarHBondContact O-N 3.45Å; T165-M167 VanDerWaalsContact C-N 3.27Å; T165-M167 PolarHBondContact O-N 2.83Å; T165-Q168 PolarHBondContact O-N 2.81Å; T165-D169 PolarHBondContact O-N 2.94Å
166	S	83.8	Confident	70.7	Confident	27 Å²	27	68.3 Å²	68.3	19%	0.189	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-33	178.1	-61.6	0	0	0	0	113	G162 L163 Q168 D169	G162-S166 WeakPolarHBondContact O-CB 3.38Å; G162-S166 PolarHBondContact O-N 2.8Å; G162-S166 PolarHBondContact O-OG 2.8Å; L163-S166 CarbonylContact O-C 3.53Å; L163-S166 PolarHBondContact O-N 2.71Å; S166-Q168 PolarHBondContact O-N 3.15Å; S166-D169 PolarHBondContact O-N 3.48Å
167	M	86.9	Confident	73.5	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.044	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-25.9	173.7	-75.2	170.1	72.4	0	0	112.1	L163 T165 Q173 V181 L197 P198 W199	L163-M167 WeakPolarHBondContact O-CB 3.48Å; L163-M167 WeakPolarHBondContact O-CG 3.39Å; L163-M167 PolarHBondContact O-N 3.2Å; T165-M167 VanDerWaalsContact C-N 3.27Å; T165-M167 PolarHBondContact O-N 2.83Å; M167-Q173 PolarHBondContact O-NE2 2.95Å; M167-V181 HydrophobicContact CB-CG1 3.96Å; M167-V181 HydrophobicContact CE-CG1 3.76Å; M167-V181 HydrophobicContact CG-CG1 3.67Å; M167-L197 HydrophobicContact CE-CB 3.95Å; M167-L197 HydrophobicContact CG-CB 4.07Å; M167-L197 HydrophobicContact CG-CD1 4.1Å; M167-L197 HydrophobicContact CG-CD2 4.03Å; M167-L197 HydrophobicContact CG-CG 4.3Å; M167-L197 HydrophobicContact SD-CB 3.87Å; M167-L197 HydrophobicContact SD-CD2 3.86Å; M167-L197 HydrophobicContact SD-CG 4.38Å; M167-P198 VanDerWaalsContact CE-O 3.23Å; M167-P198 WeakPolarHBondContact CE-O 3.35Å; M167-W199 HydrophobicContact CB-CZ3 4.26Å; M167-W199 HydrophobicContact CE-CE3 3.74Å; M167-W199 HydrophobicContact CE-CZ3 4.06Å
168	Q	83.4	Confident	76.4	Confident	153 Å²	153	68.5 Å²	68.5	72%	0.715	35%	0.345	S	S	*	.	H	α-helix	trans	-93.9	-13	178.6	-67.1	179.7	-12.1	0	0	113	K164 T165 S166 P170	K164-Q168 PolarHBondContact O-N 2.94Å; T165-Q168 PolarHBondContact O-N 2.81Å; S166-Q168 PolarHBondContact O-N 3.15Å; Q168-P170 VanDerWaalsContact O-CD 3.23Å; Q168-P170 WeakPolarHBondContact O-CD 3.15Å
169	D	81.6	Confident	78.9	Confident	61 Å²	61	71 Å²	71	33%	0.326	36%	0.356	S	S	.	.			trans	-79.1	109.9	-178.9	-175.7	-10.5	0	0	0	110.9	T165 S166 Q171 M172 Q173	T165-D169 PolarHBondContact O-N 2.94Å; S166-D169 PolarHBondContact O-N 3.48Å; D169-Q171 PolarHBondContact O-N 2.79Å; D169-Q171 VanDerWaalsContact O-N 3.13Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.46Å; D169-Q171 PolarHBondContact OD1-N 2.93Å; D169-M172 HydrophobicContact CB-CB 4.3Å; D169-M172 HydrophobicContact CB-CG 4.18Å; D169-M172 PolarHBondContact O-N 3.4Å; D169-M172 VanDerWaalsContact O-N 3.12Å; D169-Q173 WeakPolarHBondContact O-CG 3.4Å; D169-Q173 PolarHBondContact O-N 3.29Å
170	P	80.2	Confident	81.7	Confident	99 Å²	99	64.8 Å²	64.8	64%	0.643	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-177.8	-21.6	34.7	0	0	0	113.8	Q168 M172	Q168-P170 VanDerWaalsContact O-CD 3.23Å; Q168-P170 WeakPolarHBondContact O-CD 3.15Å; P170-M172 VanDerWaalsContact C-N 3.31Å
171	Q	80	Confident	84.4	Confident	181 Å²	181	64.3 Å²	64.3	85%	0.846	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.6	-179.4	-63.3	-171.4	-11.8	0	0	112.6	D169	D169-Q171 PolarHBondContact O-N 2.79Å; D169-Q171 VanDerWaalsContact O-N 3.13Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.46Å; D169-Q171 PolarHBondContact OD1-N 2.93Å
172	M	80.3	Confident	86.2	Confident	38 Å²	38	61.3 Å²	61.3	19%	0.187	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.7	180	-66.7	-70.2	-67.9	0	0	112.2	D169 P170 V174 I183 T184 K186	D169-M172 HydrophobicContact CB-CB 4.3Å; D169-M172 HydrophobicContact CB-CG 4.18Å; D169-M172 PolarHBondContact O-N 3.4Å; D169-M172 VanDerWaalsContact O-N 3.12Å; P170-M172 VanDerWaalsContact C-N 3.31Å; M172-V174 PolarHBondContact O-N 2.9Å; M172-I183 HydrophobicContact CB-CB 4.43Å; M172-I183 HydrophobicContact CB-CG2 4.4Å; M172-I183 WeakPolarHBondContact O-CA 3.5Å; M172-I183 WeakPolarHBondContact O-CB 3.1Å; M172-T184 VanDerWaalsContact CE-O 3.26Å; M172-T184 WeakPolarHBondContact CE-O 3.44Å; M172-T184 PolarHBondContact O-N 3.26Å; M172-K186 HydrophobicContact CE-CB 4.4Å
173	Q	86.8	Confident	87.5	Confident	36 Å²	36	60.5 Å²	60.5	17%	0.168	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.6	-179	-67.3	177	3.9	0	0	110.9	M167 D169 V181 V182 I183	M167-Q173 PolarHBondContact O-NE2 2.95Å; D169-Q173 WeakPolarHBondContact O-CG 3.4Å; D169-Q173 PolarHBondContact O-N 3.29Å; Q173-V181 HydrophobicContact CB-CG2 4.33Å; Q173-V181 HydrophobicContact CG-CG2 3.6Å; Q173-V182 WeakPolarHBondContact CA-O 3.43Å; Q173-I183 HydrophobicContact CG-CG2 4.41Å
174	V	86.5	Confident	88.1	Confident	71 Å²	71	62.7 Å²	62.7	43%	0.43	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-22.4	173	-62.4	0	0	0	0	112.3	M172 V182 T184 M226	M172-V174 PolarHBondContact O-N 2.9Å; V174-V182 HydrophobicContact CG2-CB 3.79Å; V174-V182 HydrophobicContact CG2-CG1 3.49Å; V174-V182 VanDerWaalsContact CG2-CG1 3.49Å; V174-V182 WeakPolarHBondContact CG2-O 3.35Å; V174-V182 PolarHBondContact N-O 3.37Å; V174-T184 HydrophobicContact CG1-CG2 3.78Å; V174-M226 HydrophobicContact CB-CE 4.33Å; V174-M226 HydrophobicContact CG2-CE 3.59Å; V174-M226 HydrophobicContact CG2-SD 4.48Å
175	Y	91	Very high	88.7	Confident	53 Å²	53	59.9 Å²	59.9	21%	0.208	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.6	173.6	171.5	-88.5	0	0	0	109.7	D177 V180 V182 V222 R225	Y175-D177 HydrophobicContact CE1-CB 4.15Å; Y175-D177 VanDerWaalsContact CE1-OD2 3.29Å; Y175-D177 WeakPolarHBondContact CE1-OD2 3.26Å; Y175-D177 PolarHBondContact OH-OD2 3.11Å; Y175-V180 HydrophobicContact CE1-CG2 4.28Å; Y175-V182 HydrophobicContact CD1-CG2 3.82Å; Y175-V182 HydrophobicContact CG-CG2 4.33Å; Y175-V182 PolarHBondContact N-O 3.14Å; Y175-V182 PolarHBondContact O-N 2.87Å; Y175-V222 HydrophobicContact CD1-CG1 3.87Å; Y175-V222 HydrophobicContact CE1-CG1 3.88Å; Y175-V222 HydrophobicContact CE1-CG2 3.97Å; Y175-R225 PolarHBondContact OH-NH1 3.3Å; Y175-R225 VanDerWaalsContact OH-NH1 3.13Å
176	K	92.8	Very high	89	Confident	126 Å²	126	63.3 Å²	63.3	55%	0.548	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.3	166	65.5	-179.8	172.3	-161.5	0	111.4	V180 V181 W199	K176-V180 WeakPolarHBondContact CA-O 3.34Å; K176-V181 HydrophobicContact CB-CB 4.39Å; K176-V181 HydrophobicContact CB-CG2 4.23Å; K176-W199 HydrophobicContact CB-CZ2 4.33Å
177	D	92.1	Very high	89.4	Confident	34 Å²	34	68.8 Å²	68.8	18%	0.182	34%	0.335	C	S	.	.			trans	-138.4	-164.2	165.2	59.6	36	0	0	0	110.2	Y175 K179 V180 W199 H218	Y175-D177 HydrophobicContact CE1-CB 4.15Å; Y175-D177 VanDerWaalsContact CE1-OD2 3.29Å; Y175-D177 WeakPolarHBondContact CE1-OD2 3.26Å; Y175-D177 PolarHBondContact OH-OD2 3.11Å; D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 PolarHBondContact O-N 3.2Å; D177-K179 WeakPolarHBondContact OD1-CA 3.46Å; D177-K179 PolarHBondContact OD1-N 3.03Å; D177-V180 PolarHBondContact N-O 3.24Å; D177-V180 WeakPolarHBondContact OD1-CG2 3.39Å; D177-V180 PolarHBondContact OD1-N 3.49Å; D177-W199 PolarHBondContact O-NE1 2.88Å; D177-H218 IonicContact OD1-NE2 3.44Å; D177-H218 PolarHBondContact OD1-NE2 3.3Å; D177-H218 IonicContact OD2-CE1 3.38Å; D177-H218 PolarHBondContact OD2-CE1 3.43Å; D177-H218 IonicContact OD2-NE2 2.81Å; D177-H218 PolarHBondContact OD2-NE2 2.74Å
178	D	95.1	Very high	89.8	Confident	133 Å²	133	70.2 Å²	70.2	71%	0.711	35%	0.345	S	S	*	.	S	Bend	trans	-68.1	-21.2	179.9	62.7	-46.9	0	0	0	113.6
179	K	95.4	Very high	90.5	Very high	88 Å²	88	64 Å²	64	38%	0.383	32%	0.315	S	S	.	.	S	Bend	trans	-107.3	-37.5	-175.3	-65	-178.5	-177.8	178.6	0	113.2	D177 P198 W199 L215 H218	D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 PolarHBondContact O-N 3.2Å; D177-K179 WeakPolarHBondContact OD1-CA 3.46Å; D177-K179 PolarHBondContact OD1-N 3.03Å; K179-P198 WeakPolarHBondContact O-CA 3.36Å; K179-W199 PolarHBondContact O-N 3.1Å; K179-L215 HydrophobicContact CB-CD1 4.28Å; K179-H218 HydrophobicContact CD-CB 4.42Å
180	V	97.8	Very high	91.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.8	-170.9	-55.7	0	0	0	0	113.1	Y175 K176 D177 V196 L197 W199 L215 M219 V222	Y175-V180 HydrophobicContact CE1-CG2 4.28Å; K176-V180 WeakPolarHBondContact CA-O 3.34Å; D177-V180 PolarHBondContact N-O 3.24Å; D177-V180 WeakPolarHBondContact OD1-CG2 3.39Å; D177-V180 PolarHBondContact OD1-N 3.49Å; V180-V196 HydrophobicContact CB-CG1 4.05Å; V180-V196 HydrophobicContact CG1-CG1 4.31Å; V180-V196 HydrophobicContact CG2-CG1 4.07Å; V180-L197 CarbonylContact C-O 3.6Å; V180-L197 VanDerWaalsContact CA-O 3.28Å; V180-L197 WeakPolarHBondContact CA-O 3.16Å; V180-L197 WeakPolarHBondContact CB-O 3.46Å; V180-W199 PolarHBondContact O-NE1 3.03Å; V180-L215 HydrophobicContact CG1-CD1 4.21Å; V180-M219 HydrophobicContact CG1-CG 3.62Å; V180-V222 HydrophobicContact CG2-CB 4.38Å; V180-V222 HydrophobicContact CG2-CG1 4.22Å; V180-V222 HydrophobicContact CG2-CG2 3.9Å
181	V	96.8	Very high	92	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.6	167.4	61.3	0	0	0	0	109.2	M167 Q173 K176 I183 L197 W199	M167-V181 HydrophobicContact CB-CG1 3.96Å; M167-V181 HydrophobicContact CE-CG1 3.76Å; M167-V181 HydrophobicContact CG-CG1 3.67Å; Q173-V181 HydrophobicContact CB-CG2 4.33Å; Q173-V181 HydrophobicContact CG-CG2 3.6Å; K176-V181 HydrophobicContact CB-CB 4.39Å; K176-V181 HydrophobicContact CB-CG2 4.23Å; V181-I183 HydrophobicContact CG2-CG2 4.16Å; V181-L197 HydrophobicContact CG1-CB 4.11Å; V181-L197 PolarHBondContact N-O 2.95Å; V181-L197 PolarHBondContact O-N 2.91Å; V181-W199 HydrophobicContact CB-CH2 3.76Å; V181-W199 HydrophobicContact CB-CZ2 3.59Å; V181-W199 HydrophobicContact CB-CZ3 4.42Å; V181-W199 HydrophobicContact CG1-CE3 4.46Å; V181-W199 HydrophobicContact CG1-CH2 3.93Å; V181-W199 HydrophobicContact CG1-CZ2 4.14Å; V181-W199 HydrophobicContact CG1-CZ3 4.11Å; V181-W199 HydrophobicContact CG2-CH2 4.12Å; V181-W199 HydrophobicContact CG2-CZ2 4.19Å
182	V	94.9	Very high	92.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.2	172.7	-172.7	0	0	0	0	108.1	Q173 V174 Y175 W194 L195 V196 V222 M226	Q173-V182 WeakPolarHBondContact CA-O 3.43Å; V174-V182 HydrophobicContact CG2-CB 3.79Å; V174-V182 HydrophobicContact CG2-CG1 3.49Å; V174-V182 VanDerWaalsContact CG2-CG1 3.49Å; V174-V182 WeakPolarHBondContact CG2-O 3.35Å; V174-V182 PolarHBondContact N-O 3.37Å; Y175-V182 HydrophobicContact CD1-CG2 3.82Å; Y175-V182 HydrophobicContact CG-CG2 4.33Å; Y175-V182 PolarHBondContact N-O 3.14Å; Y175-V182 PolarHBondContact O-N 2.87Å; V182-W194 HydrophobicContact CG1-CB 3.87Å; V182-W194 HydrophobicContact CG1-CG 4.34Å; V182-L195 WeakPolarHBondContact CA-O 3.44Å; V182-V196 HydrophobicContact CG2-CB 4.45Å; V182-V196 HydrophobicContact CG2-CG1 4.19Å; V182-V196 HydrophobicContact CG2-CG2 4.1Å; V182-V222 HydrophobicContact CG2-CG1 3.44Å; V182-V222 VanDerWaalsContact CG2-CG1 3.44Å; V182-M226 HydrophobicContact CB-SD 4.43Å; V182-M226 HydrophobicContact CG1-CE 4.18Å; V182-M226 HydrophobicContact CG1-CG 4.1Å; V182-M226 HydrophobicContact CG1-SD 4.14Å; V182-M226 HydrophobicContact CG2-CG 4.28Å; V182-M226 HydrophobicContact CG2-SD 4.32Å
183	I	94.5	Very high	93.5	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.7	174.1	66.9	178.1	0	0	0	110.8	L163 M172 Q173 V181 W194 L195 L197	L163-I183 HydrophobicContact CD2-CD1 4.21Å; M172-I183 HydrophobicContact CB-CB 4.43Å; M172-I183 HydrophobicContact CB-CG2 4.4Å; M172-I183 WeakPolarHBondContact O-CA 3.5Å; M172-I183 WeakPolarHBondContact O-CB 3.1Å; Q173-I183 HydrophobicContact CG-CG2 4.41Å; V181-I183 HydrophobicContact CG2-CG2 4.16Å; I183-W194 WeakPolarHBondContact O-CA 3.29Å; I183-L195 HydrophobicContact CD1-CD1 4.41Å; I183-L195 HydrophobicContact CG1-CB 4.01Å; I183-L195 HydrophobicContact CG1-CD1 4.47Å; I183-L195 PolarHBondContact N-O 2.68Å; I183-L195 PolarHBondContact O-N 2.98Å; I183-L197 HydrophobicContact CD1-CD1 3.67Å; I183-L197 HydrophobicContact CG1-CD1 3.59Å
184	T	87.9	Confident	94	Very high	54 Å²	54	53.4 Å²	53.4	33%	0.331	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.3	166.1	52.2	0	0	0	0	110.3	M172 V174 K186	M172-T184 VanDerWaalsContact CE-O 3.26Å; M172-T184 WeakPolarHBondContact CE-O 3.44Å; M172-T184 PolarHBondContact O-N 3.26Å; V174-T184 HydrophobicContact CG1-CG2 3.78Å; T184-K186 PolarHBondContact O-N 3.11Å
185	D	92.5	Very high	94.5	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.112	23%	0.228	C	C	.	.			trans	-64.1	126.7	173.2	-171	-51	0	0	0	109.3	Y187 P188 H193 L195	D185-Y187 PolarHBondContact O-N 3.43Å; D185-Y187 WeakPolarHBondContact OD1-CA 3.41Å; D185-Y187 PolarHBondContact OD1-N 2.9Å; D185-P188 WeakPolarHBondContact O-CD 3.32Å; D185-H193 HydrophobicContact CB-CB 4.18Å; D185-H193 WeakPolarHBondContact CB-O 3.27Å; D185-H193 PolarHBondContact N-O 3.38Å; D185-H193 IonicContact OD2-CE1 2.74Å; D185-H193 PolarHBondContact OD2-CE1 3.31Å; D185-H193 IonicContact OD2-ND1 3.02Å; D185-H193 PolarHBondContact OD2-ND1 3.45Å; D185-H193 IonicContact OD2-NE2 2.95Å; D185-L195 HydrophobicContact CB-CD1 4.41Å; D185-L195 HydrophobicContact CB-CG 4.21Å
186	K	89.6	Confident	94.9	Very high	143 Å²	143	47.7 Å²	47.7	62%	0.622	22%	0.218	S	C	*	.	S	Bend	trans	-62	-24.8	-179.2	-175.6	170.5	-176.6	167	0	113.3	M172 T184	M172-K186 HydrophobicContact CE-CB 4.4Å; T184-K186 PolarHBondContact O-N 3.11Å
187	Y	92.3	Very high	95.1	Very high	141 Å²	141	41.7 Å²	41.7	55%	0.553	19%	0.192	S	C	*	.	S	Bend	trans	-129	66.2	179.6	-56.5	-69.6	0	0	0	109.5	D185 K189	D185-Y187 PolarHBondContact O-N 3.43Å; D185-Y187 WeakPolarHBondContact OD1-CA 3.41Å; D185-Y187 PolarHBondContact OD1-N 2.9Å; Y187-K189 PolarHBondContact O-NZ 3.19Å
188	P	95	Very high	95.3	Very high	40 Å²	40	40.1 Å²	40.1	26%	0.26	18%	0.183	S	C	.	.			trans	-61.7	142.1	-168.3	28.7	-36	0	0	0	111.1	D185 H193 S262 C264	D185-P188 WeakPolarHBondContact O-CD 3.32Å; P188-H193 HydrophobicContact CB-CB 3.73Å; P188-S262 VanDerWaalsContact O-CB 3.32Å; P188-S262 WeakPolarHBondContact O-CB 3.37Å; P188-S262 PolarHBondContact O-OG 3.43Å; P188-C264 VanDerWaalsContact O-CB 3.25Å; P188-C264 WeakPolarHBondContact O-CB 3.36Å
189	K	98.1	Very high	95.2	Very high	23 Å²	23	38.5 Å²	38.5	10%	0.1	17%	0.168	C	C	.	.	S	Bend	trans	-98	-5.6	-179.4	-58.5	-54.5	-177.3	-60.8	0	114.2	Y187 H193 I256 F260 L265 H270 F274	Y187-K189 PolarHBondContact O-NZ 3.19Å; K189-H193 PolarHBondContact N-ND1 2.91Å; K189-I256 HydrophobicContact CB-CD1 3.91Å; K189-F260 CarbonylContact O-C 3.57Å; K189-F260 WeakPolarHBondContact O-CA 3.45Å; K189-L265 HydrophobicContact CB-CD1 4.42Å; K189-L265 HydrophobicContact CD-CD1 4.49Å; K189-H270 HydrophobicContact CD-CB 4.21Å; K189-H270 VanDerWaalsContact CE-ND1 3.3Å; K189-H270 WeakPolarHBondContact CE-ND1 3.45Å; K189-F274 HydrophobicContact CB-CD2 4.43Å; K189-F274 HydrophobicContact CB-CE2 4.1Å; K189-F274 HydrophobicContact CG-CD2 4.33Å; K189-F274 HydrophobicContact CG-CE2 3.63Å; K189-F274 HydrophobicContact CG-CZ 4.2Å
190	A	97.6	Very high	95.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	17%	0.17	C	C	.	.	S	Bend	trans	-142.2	-179.5	174.6	0	0	0	0	0	109	Y192 I256 S257	A190-Y192 VanDerWaalsContact C-N 3.27Å; A190-Y192 PolarHBondContact O-N 2.86Å; A190-I256 HydrophobicContact CB-CD1 4.2Å; A190-I256 HydrophobicContact CB-CG1 3.79Å; A190-S257 WeakPolarHBondContact CB-O 3.32Å; A190-S257 VanDerWaalsContact CB-OG 3.32Å; A190-S257 WeakPolarHBondContact CB-OG 3.46Å
191	R	95	Very high	94.8	Very high	108 Å²	108	42.3 Å²	42.3	41%	0.408	19%	0.194	S	C	.	.	S	Bend	trans	-56	-42.7	175.9	-71.9	170.8	-173.5	177.1	4.5	112.4	D259 D261 F332	R191-D259 WeakPolarHBondContact CG-OD2 3.48Å; R191-D259 PolarHBondContact N-OD2 2.77Å; R191-D261 HydrophobicContact CG-CB 4.06Å; R191-D261 IonicContact CZ-OD2 2.74Å; R191-D261 PolarHBondContact N-O 3.03Å; R191-D261 IonicContact NE-OD2 3.64Å; R191-D261 PolarHBondContact NE-OD2 3.07Å; R191-D261 IonicContact NH2-OD2 2.72Å; R191-D261 PolarHBondContact NH2-OD2 3.29Å; R191-F332 VanDerWaalsContact NH2-CD2 3.27Å; R191-F332 VanDerWaalsContact NH2-CE2 3.32Å
192	Y	95.5	Very high	94.6	Very high	50 Å²	50	42.5 Å²	42.5	20%	0.196	20%	0.195	C	C	.	.			trans	-117.4	121.2	176	-60.4	-80.9	0	0	0	109.5	A190 W194 C230 D232 L236 F238 I256 S257	A190-Y192 VanDerWaalsContact C-N 3.27Å; A190-Y192 PolarHBondContact O-N 2.86Å; Y192-W194 AromaticContact CD1-CH2 3.53Å; Y192-W194 HydrophobicContact CD1-CH2 3.53Å; Y192-W194 AromaticContact CD1-CZ2 3.53Å; Y192-W194 HydrophobicContact CD1-CZ2 3.53Å; Y192-W194 HydrophobicContact CE1-CH2 4.46Å; Y192-W194 HydrophobicContact CE1-CZ2 4.41Å; Y192-W194 AromaticContact CG-CH2 3.84Å; Y192-W194 HydrophobicContact CG-CH2 3.84Å; Y192-W194 HydrophobicContact CG-CZ2 4.23Å; Y192-W194 HydrophobicContact CG-CZ3 4.46Å; Y192-C230 WeakPolarHBondContact CE1-SG 3.39Å; Y192-D232 HydrophobicContact CE2-CB 3.77Å; Y192-D232 WeakPolarHBondContact CE2-OD2 3.45Å; Y192-D232 VanDerWaalsContact CZ-OD2 3.31Å; Y192-D232 PolarHBondContact OH-OD2 3.31Å; Y192-L236 HydrophobicContact CD2-CD1 3.71Å; Y192-L236 HydrophobicContact CE2-CD1 3.65Å; Y192-F238 HydrophobicContact CD2-CE1 4.4Å; Y192-F238 AromaticContact CD2-CZ 3.93Å; Y192-F238 HydrophobicContact CD2-CZ 3.93Å; Y192-F238 HydrophobicContact CG-CE1 4.21Å; Y192-F238 HydrophobicContact CG-CZ 4.1Å; Y192-I256 WeakPolarHBondContact O-CA 3.25Å; Y192-S257 PolarHBondContact N-OG 2.92Å; Y192-S257 VanDerWaalsContact N-OG 3.08Å; Y192-S257 PolarHBondContact O-N 3.05Å; Y192-S257 PolarHBondContact O-OG 2.88Å
193	H	97.5	Very high	94.2	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	104.5	175.8	-168.2	-160.7	0	0	0	109.8	D185 P188 K189 H254 V255 I256 F274	D185-H193 HydrophobicContact CB-CB 4.18Å; D185-H193 WeakPolarHBondContact CB-O 3.27Å; D185-H193 PolarHBondContact N-O 3.38Å; D185-H193 IonicContact OD2-CE1 2.74Å; D185-H193 PolarHBondContact OD2-CE1 3.31Å; D185-H193 IonicContact OD2-ND1 3.02Å; D185-H193 PolarHBondContact OD2-ND1 3.45Å; D185-H193 IonicContact OD2-NE2 2.95Å; P188-H193 HydrophobicContact CB-CB 3.73Å; K189-H193 PolarHBondContact N-ND1 2.91Å; H193-H254 AromaticContact CE1-ND1 3.53Å; H193-H254 AromaticContact NE2-CE1 3.84Å; H193-H254 AromaticContact NE2-CG 3.75Å; H193-H254 AromaticContact NE2-ND1 2.87Å; H193-H254 PolarHBondContact NE2-ND1 2.83Å; H193-V255 CarbonylContact C-O 3.46Å; H193-V255 WeakPolarHBondContact CA-O 3.43Å; H193-I256 HydrophobicContact CB-CG1 4.32Å; H193-F274 AromaticContact CE1-CZ 3.68Å; H193-F274 AromaticContact NE2-CE1 3.84Å; H193-F274 AromaticContact NE2-CZ 3.86Å
194	W	96.6	Very high	94	Very high	27 Å²	27	47.6 Å²	47.6	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	159.5	176.1	-54.8	-78.1	0	0	0	111	V182 I183 Y192 M226 C230 F238 V255	V182-W194 HydrophobicContact CG1-CB 3.87Å; V182-W194 HydrophobicContact CG1-CG 4.34Å; I183-W194 WeakPolarHBondContact O-CA 3.29Å; Y192-W194 AromaticContact CD1-CH2 3.53Å; Y192-W194 HydrophobicContact CD1-CH2 3.53Å; Y192-W194 AromaticContact CD1-CZ2 3.53Å; Y192-W194 HydrophobicContact CD1-CZ2 3.53Å; Y192-W194 HydrophobicContact CE1-CH2 4.46Å; Y192-W194 HydrophobicContact CE1-CZ2 4.41Å; Y192-W194 AromaticContact CG-CH2 3.84Å; Y192-W194 HydrophobicContact CG-CH2 3.84Å; Y192-W194 HydrophobicContact CG-CZ2 4.23Å; Y192-W194 HydrophobicContact CG-CZ3 4.46Å; W194-M226 HydrophobicContact CD2-CE 4.42Å; W194-M226 HydrophobicContact CE3-CB 4.43Å; W194-C230 HydrophobicContact CH2-CB 4.05Å; W194-F238 HydrophobicContact CH2-CE1 4.22Å; W194-F238 HydrophobicContact CZ3-CD1 4.34Å; W194-F238 AromaticContact CZ3-CE1 3.66Å; W194-F238 HydrophobicContact CZ3-CE1 3.66Å; W194-F238 HydrophobicContact CZ3-CZ 4.44Å; W194-V255 HydrophobicContact CB-CB 4.34Å; W194-V255 HydrophobicContact CE3-CB 4.13Å; W194-V255 HydrophobicContact CE3-CG1 3.88Å; W194-V255 HydrophobicContact CZ3-CG1 4.33Å; W194-V255 PolarHBondContact N-O 2.71Å; W194-V255 PolarHBondContact O-N 2.86Å
195	L	97.7	Very high	94.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.3	173	-55.6	179.1	0	0	0	107.9	L163 V182 I183 D185 L197 H252 L253 H254	L163-L195 HydrophobicContact CD2-CD1 3.71Å; V182-L195 WeakPolarHBondContact CA-O 3.44Å; I183-L195 HydrophobicContact CD1-CD1 4.41Å; I183-L195 HydrophobicContact CG1-CB 4.01Å; I183-L195 HydrophobicContact CG1-CD1 4.47Å; I183-L195 PolarHBondContact N-O 2.68Å; I183-L195 PolarHBondContact O-N 2.98Å; D185-L195 HydrophobicContact CB-CD1 4.41Å; D185-L195 HydrophobicContact CB-CG 4.21Å; L195-L197 HydrophobicContact CB-CD1 3.76Å; L195-L197 HydrophobicContact CB-CG 4.38Å; L195-L197 WeakPolarHBondContact O-CD1 3.17Å; L195-H252 HydrophobicContact CB-CB 4.46Å; L195-L253 WeakPolarHBondContact CA-O 3.31Å; L195-H254 VanDerWaalsContact CD2-ND1 3.27Å; L195-H254 WeakPolarHBondContact CD2-ND1 3.3Å
196	V	98	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.9	166.9	-168.3	0	0	0	0	107.3	V180 V182 M219 V222 A223 H252 L253 V255	V180-V196 HydrophobicContact CB-CG1 4.05Å; V180-V196 HydrophobicContact CG1-CG1 4.31Å; V180-V196 HydrophobicContact CG2-CG1 4.07Å; V182-V196 HydrophobicContact CG2-CB 4.45Å; V182-V196 HydrophobicContact CG2-CG1 4.19Å; V182-V196 HydrophobicContact CG2-CG2 4.1Å; V196-M219 HydrophobicContact CG1-CB 4.16Å; V196-M219 HydrophobicContact CG1-CG 4.1Å; V196-M219 WeakPolarHBondContact O-CE 3.39Å; V196-V222 HydrophobicContact CG1-CB 4.37Å; V196-V222 HydrophobicContact CG1-CG1 4.06Å; V196-V222 HydrophobicContact CG2-CG1 4.43Å; V196-A223 HydrophobicContact CG2-CB 4.32Å; V196-H252 WeakPolarHBondContact O-CA 3.39Å; V196-L253 HydrophobicContact CB-CB 4.13Å; V196-L253 HydrophobicContact CB-CD2 4.46Å; V196-L253 HydrophobicContact CG2-CD2 4.32Å; V196-L253 PolarHBondContact N-O 3.43Å; V196-L253 PolarHBondContact O-N 3.49Å; V196-V255 HydrophobicContact CG2-CG2 3.81Å
197	L	96.7	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130	-178.2	-57.8	106.7	0	0	0	110.2	L163 M167 V180 V181 I183 L195 H252	L163-L197 HydrophobicContact CB-CD2 4.03Å; L163-L197 HydrophobicContact CD1-CD2 3.93Å; L163-L197 HydrophobicContact CD2-CD2 4.02Å; L163-L197 HydrophobicContact CG-CD2 4.21Å; M167-L197 HydrophobicContact CE-CB 3.95Å; M167-L197 HydrophobicContact CG-CB 4.07Å; M167-L197 HydrophobicContact CG-CD1 4.1Å; M167-L197 HydrophobicContact CG-CD2 4.03Å; M167-L197 HydrophobicContact CG-CG 4.3Å; M167-L197 HydrophobicContact SD-CB 3.87Å; M167-L197 HydrophobicContact SD-CD2 3.86Å; M167-L197 HydrophobicContact SD-CG 4.38Å; V180-L197 CarbonylContact C-O 3.6Å; V180-L197 VanDerWaalsContact CA-O 3.28Å; V180-L197 WeakPolarHBondContact CA-O 3.16Å; V180-L197 WeakPolarHBondContact CB-O 3.46Å; V181-L197 HydrophobicContact CG1-CB 4.11Å; V181-L197 PolarHBondContact N-O 2.95Å; V181-L197 PolarHBondContact O-N 2.91Å; I183-L197 HydrophobicContact CD1-CD1 3.67Å; I183-L197 HydrophobicContact CG1-CD1 3.59Å; L195-L197 HydrophobicContact CB-CD1 3.76Å; L195-L197 HydrophobicContact CB-CG 4.38Å; L195-L197 WeakPolarHBondContact O-CD1 3.17Å; L197-H252 HydrophobicContact CD2-CB 3.88Å; L197-H252 HydrophobicContact CG-CB 3.96Å
198	P	97.1	Very high	94.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.4	172.2	31	-33.5	0	0	0	111	M167 K179 Q200 L215 M219 H250 I251	M167-P198 VanDerWaalsContact CE-O 3.23Å; M167-P198 WeakPolarHBondContact CE-O 3.35Å; K179-P198 WeakPolarHBondContact O-CA 3.36Å; P198-Q200 VanDerWaalsContact C-N 3.25Å; P198-L215 HydrophobicContact CB-CD1 4.01Å; P198-L215 HydrophobicContact CB-CD2 3.76Å; P198-L215 HydrophobicContact CB-CG 4.25Å; P198-L215 HydrophobicContact CG-CD2 4.37Å; P198-M219 HydrophobicContact CB-SD 4.22Å; P198-M219 HydrophobicContact CG-SD 4.14Å; P198-H250 PolarHBondContact O-CE1 3.16Å; P198-H250 VanDerWaalsContact O-CE1 3.3Å; P198-H250 PolarHBondContact O-NE2 3.4Å; P198-I251 WeakPolarHBondContact CD-O 3.25Å; P198-I251 HydrophobicContact CG-CG2 3.56Å
199	W	93.3	Very high	94.5	Very high	100 Å²	100	43.2 Å²	43.2	38%	0.379	21%	0.206	S	C	.	.	S	Bend	trans	-66.4	-32.7	168.4	-63.4	119.9	0	0	0	111.3	M167 K176 D177 K179 V180 V181 S201	M167-W199 HydrophobicContact CB-CZ3 4.26Å; M167-W199 HydrophobicContact CE-CE3 3.74Å; M167-W199 HydrophobicContact CE-CZ3 4.06Å; K176-W199 HydrophobicContact CB-CZ2 4.33Å; D177-W199 PolarHBondContact O-NE1 2.88Å; K179-W199 PolarHBondContact O-N 3.1Å; V180-W199 PolarHBondContact O-NE1 3.03Å; V181-W199 HydrophobicContact CB-CH2 3.76Å; V181-W199 HydrophobicContact CB-CZ2 3.59Å; V181-W199 HydrophobicContact CB-CZ3 4.42Å; V181-W199 HydrophobicContact CG1-CE3 4.46Å; V181-W199 HydrophobicContact CG1-CH2 3.93Å; V181-W199 HydrophobicContact CG1-CZ2 4.14Å; V181-W199 HydrophobicContact CG1-CZ3 4.11Å; V181-W199 HydrophobicContact CG2-CH2 4.12Å; V181-W199 HydrophobicContact CG2-CZ2 4.19Å; W199-S201 PolarHBondContact O-N 2.89Å
200	Q	93.3	Very high	94.2	Very high	95 Å²	95	44 Å²	44	44%	0.444	22%	0.22	S	C	.	.	S	Bend	trans	-61.8	130.2	171.5	-172.4	-177.9	-1	0	0	110.6	P198 I202 H212 L215 H250	P198-Q200 VanDerWaalsContact C-N 3.25Å; Q200-I202 HydrophobicContact CG-CG1 4.24Å; Q200-I202 PolarHBondContact O-N 3.27Å; Q200-H212 PolarHBondContact NE2-NE2 3.31Å; Q200-H212 VanDerWaalsContact NE2-NE2 3.2Å; Q200-L215 HydrophobicContact CB-CD2 4.39Å; Q200-H250 PolarHBondContact O-CE1 3.35Å; Q200-H250 VanDerWaalsContact O-CE1 3.23Å
201	S	90.8	Very high	94.1	Very high	72 Å²	72	51.1 Å²	51.1	50%	0.503	25%	0.254	S	S	.	.			trans	-84.3	103	-178	-154.3	0	0	0	0	112.3	K164 W199 H250	K164-S201 PolarHBondContact NZ-OG 3.41Å; K164-S201 VanDerWaalsContact NZ-OG 3.15Å; W199-S201 PolarHBondContact O-N 2.89Å; S201-H250 PolarHBondContact OG-ND1 2.97Å
202	I	91.8	Very high	94.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.236	C	C	.	.			trans	-117.2	114.7	177.1	-57	165.3	0	0	0	107.8	Q200 S204 A207 L208 H212 L215 H250 I251	Q200-I202 HydrophobicContact CG-CG1 4.24Å; Q200-I202 PolarHBondContact O-N 3.27Å; I202-S204 PolarHBondContact O-N 2.9Å; I202-A207 HydrophobicContact CG2-CB 4.14Å; I202-L208 HydrophobicContact CD1-CD2 4.19Å; I202-L208 HydrophobicContact CG2-CD2 4.03Å; I202-L208 HydrophobicContact CG2-CG 4.39Å; I202-H212 WeakPolarHBondContact CD1-CD2 3.48Å; I202-L215 HydrophobicContact CD1-CD2 3.71Å; I202-H250 CarbonylContact O-C 3.59Å; I202-H250 VanDerWaalsContact O-CA 3.27Å; I202-H250 WeakPolarHBondContact O-CA 3.35Å; I202-I251 HydrophobicContact CB-CB 4.41Å; I202-I251 HydrophobicContact CB-CG2 3.78Å; I202-I251 HydrophobicContact CD1-CG2 4.29Å; I202-I251 HydrophobicContact CG2-CB 4.47Å; I202-I251 HydrophobicContact CG2-CG2 4.23Å; I202-I251 PolarHBondContact O-N 2.83Å
203	P	88.3	Confident	94.2	Very high	78 Å²	78	44.6 Å²	44.6	51%	0.506	23%	0.231	S	C	.	.			trans	-71.2	-30.3	-165.6	24.4	-33.7	0	0	0	114.6	A207 H250	P203-A207 HydrophobicContact CG-CB 3.65Å; P203-H250 PolarHBondContact O-N 2.82Å
204	S	90.4	Very high	94.2	Very high	33 Å²	33	49.4 Å²	49.4	23%	0.231	26%	0.257	C	S	.	.	S	Bend	trans	-165.9	172.8	-177.8	67.7	0	0	0	0	111.8	I202 K206 A207	I202-S204 PolarHBondContact O-N 2.9Å; S204-K206 PolarHBondContact O-N 3.41Å; S204-K206 PolarHBondContact OG-N 3.27Å; S204-A207 WeakPolarHBondContact O-CB 3.28Å; S204-A207 PolarHBondContact O-N 2.99Å
205	L	91.9	Very high	94.3	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-54.3	-36.9	174.3	-67.6	177.1	0	0	0	113.2	A207 L208 Y242 I251 I280 V285 V295 V297	L205-A207 PolarHBondContact O-N 3.5Å; L205-L208 HydrophobicContact CD2-CD1 3.81Å; L205-L208 WeakPolarHBondContact O-CB 3.41Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-L208 VanDerWaalsContact O-N 3.11Å; L205-Y242 HydrophobicContact CD2-CD1 4.08Å; L205-Y242 HydrophobicContact CD2-CD2 4.25Å; L205-Y242 HydrophobicContact CD2-CG 3.81Å; L205-I251 HydrophobicContact CD2-CD1 3.95Å; L205-I280 HydrophobicContact CD1-CD1 4.14Å; L205-V285 HydrophobicContact CD2-CG1 4.12Å; L205-V285 HydrophobicContact CD2-CG2 4.45Å; L205-V295 HydrophobicContact CB-CG1 4.18Å; L205-V297 HydrophobicContact CD1-CG2 4.46Å
206	K	91.4	Very high	94.3	Very high	152 Å²	152	48.8 Å²	48.8	66%	0.661	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.4	179.4	-65.3	-174.3	177.8	-174.8	0	113.6	S204 R209	S204-K206 PolarHBondContact O-N 3.41Å; S204-K206 PolarHBondContact OG-N 3.27Å; K206-R209 PolarHBondContact O-NH1 3.18Å
207	A	92.8	Very high	94.4	Very high	28 Å²	28	53.3 Å²	53.3	23%	0.231	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-87.2	-9.6	177.9	0	0	0	0	0	113	I202 P203 S204 L205 R209	I202-A207 HydrophobicContact CG2-CB 4.14Å; P203-A207 HydrophobicContact CG-CB 3.65Å; S204-A207 WeakPolarHBondContact O-CB 3.28Å; S204-A207 PolarHBondContact O-N 2.99Å; L205-A207 PolarHBondContact O-N 3.5Å; A207-R209 PolarHBondContact O-NH1 3.15Å
208	L	94.8	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.			trans	-64.4	143.6	175.3	-68.4	167.5	0	0	0	111	I202 L205 H212 L216 I251 V285 L289 V295	I202-L208 HydrophobicContact CD1-CD2 4.19Å; I202-L208 HydrophobicContact CG2-CD2 4.03Å; I202-L208 HydrophobicContact CG2-CG 4.39Å; L205-L208 HydrophobicContact CD2-CD1 3.81Å; L205-L208 WeakPolarHBondContact O-CB 3.41Å; L205-L208 PolarHBondContact O-N 2.98Å; L205-L208 VanDerWaalsContact O-N 3.11Å; L208-H212 HydrophobicContact CD2-CB 3.77Å; L208-L216 HydrophobicContact CD1-CD1 3.96Å; L208-L216 HydrophobicContact CD1-CD2 4.44Å; L208-L216 HydrophobicContact CD2-CD1 4.2Å; L208-L216 HydrophobicContact CD2-CD2 4.09Å; L208-L216 HydrophobicContact CD2-CG 4.37Å; L208-I251 HydrophobicContact CD1-CD1 3.72Å; L208-I251 HydrophobicContact CD2-CD1 3.99Å; L208-I251 HydrophobicContact CG-CD1 4.1Å; L208-V285 HydrophobicContact CD1-CG1 3.96Å; L208-L289 HydrophobicContact CB-CD1 4.02Å; L208-L289 HydrophobicContact CB-CD2 4.29Å; L208-V295 HydrophobicContact CB-CG2 4.04Å; L208-V295 HydrophobicContact CD1-CG2 3.74Å
209	R	95.3	Very high	94.5	Very high	122 Å²	122	54.9 Å²	54.9	46%	0.46	28%	0.279	S	S	.	.			trans	-138.8	161.3	179.9	-61.4	-64.9	-179	-89.1	-1.9	108.4	K206 A207 E211 H212 L289	K206-R209 PolarHBondContact O-NH1 3.18Å; A207-R209 PolarHBondContact O-NH1 3.15Å; R209-E211 HydrophobicContact CB-CG 4.16Å; R209-E211 PolarHBondContact O-N 3.21Å; R209-H212 PolarHBondContact N-ND1 2.51Å; R209-H212 WeakPolarHBondContact O-CB 3.25Å; R209-H212 PolarHBondContact O-N 3.35Å; R209-H212 PolarHBondContact O-ND1 3.42Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; R209-L289 WeakPolarHBondContact O-CD2 3.39Å
210	G	93.4	Very high	94.8	Very high	39 Å²	39	50.9 Å²	50.9	40%	0.402	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-50.6	-31.3	-178.1	0	0	0	0	0	115.1	H212 C213	G210-H212 PolarHBondContact O-N 3.05Å; G210-H212 VanDerWaalsContact O-N 3.11Å; G210-C213 WeakPolarHBondContact O-CB 3.28Å; G210-C213 PolarHBondContact O-N 3.46Å; G210-C213 VanDerWaalsContact O-N 3.14Å; G210-C213 PolarHBondContact O-SG 2.84Å; G210-C213 VanDerWaalsContact O-SG 3.33Å
211	E	94.9	Very high	95	Very high	151 Å²	151	52.1 Å²	52.1	71%	0.706	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.1	-19.5	174.3	70.8	-166.5	177.2	0	0	114.4	R209	R209-E211 HydrophobicContact CB-CG 4.16Å; R209-E211 PolarHBondContact O-N 3.21Å
212	H	97.3	Very high	95.3	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.046	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-89.9	-4.1	-179.4	-56.3	97.3	0	0	0	113.2	Q200 I202 L208 R209 G210 D214 L215 L216 L289	Q200-H212 PolarHBondContact NE2-NE2 3.31Å; Q200-H212 VanDerWaalsContact NE2-NE2 3.2Å; I202-H212 WeakPolarHBondContact CD1-CD2 3.48Å; L208-H212 HydrophobicContact CD2-CB 3.77Å; R209-H212 PolarHBondContact N-ND1 2.51Å; R209-H212 WeakPolarHBondContact O-CB 3.25Å; R209-H212 PolarHBondContact O-N 3.35Å; R209-H212 PolarHBondContact O-ND1 3.42Å; R209-H212 VanDerWaalsContact O-ND1 3.12Å; G210-H212 PolarHBondContact O-N 3.05Å; G210-H212 VanDerWaalsContact O-N 3.11Å; H212-D214 VanDerWaalsContact C-N 3.34Å; H212-D214 PolarHBondContact O-N 2.79Å; H212-L215 WeakPolarHBondContact O-CB 3.38Å; H212-L215 PolarHBondContact O-N 2.89Å; H212-L215 VanDerWaalsContact O-N 3.16Å; H212-L216 WeakPolarHBondContact O-CG 3.41Å; H212-L216 PolarHBondContact O-N 3.43Å; H212-L289 HydrophobicContact CB-CD2 4.3Å
213	C	95.6	Very high	95.6	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-46.7	-177.6	-73.2	0	0	0	0	112.3	G210 L215 L216 R217 L289	G210-C213 WeakPolarHBondContact O-CB 3.28Å; G210-C213 PolarHBondContact O-N 3.46Å; G210-C213 VanDerWaalsContact O-N 3.14Å; G210-C213 PolarHBondContact O-SG 2.84Å; G210-C213 VanDerWaalsContact O-SG 3.33Å; C213-L215 VanDerWaalsContact C-N 3.29Å; C213-L215 PolarHBondContact O-N 3.03Å; C213-L216 PolarHBondContact O-N 2.9Å; C213-R217 WeakPolarHBondContact O-CG 3.35Å; C213-R217 PolarHBondContact O-N 3.3Å; C213-L289 VanDerWaalsContact SG-CD2 3.59Å; C213-L289 VanDerWaalsContact SG-CG 3.58Å
214	D	97.6	Very high	96	Very high	107 Å²	107	48 Å²	48	57%	0.572	24%	0.239	S	C	*	.	H	α-helix	trans	-64.4	-35.2	-179.3	-67	-17.6	0	0	0	112.3	H212 R217 H218	H212-D214 VanDerWaalsContact C-N 3.34Å; H212-D214 PolarHBondContact O-N 2.79Å; D214-R217 IonicContact OD1-CZ 2.76Å; D214-R217 IonicContact OD1-NH1 2.73Å; D214-R217 PolarHBondContact OD1-NH1 2.99Å; D214-H218 WeakPolarHBondContact O-CB 3.25Å; D214-H218 PolarHBondContact O-N 3.12Å
215	L	98.3	Very high	96.1	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-44.2	174.2	177.6	63.7	0	0	0	111.3	K179 V180 P198 Q200 I202 H212 C213 H218 M219	K179-L215 HydrophobicContact CB-CD1 4.28Å; V180-L215 HydrophobicContact CG1-CD1 4.21Å; P198-L215 HydrophobicContact CB-CD1 4.01Å; P198-L215 HydrophobicContact CB-CD2 3.76Å; P198-L215 HydrophobicContact CB-CG 4.25Å; P198-L215 HydrophobicContact CG-CD2 4.37Å; Q200-L215 HydrophobicContact CB-CD2 4.39Å; I202-L215 HydrophobicContact CD1-CD2 3.71Å; H212-L215 WeakPolarHBondContact O-CB 3.38Å; H212-L215 PolarHBondContact O-N 2.89Å; H212-L215 VanDerWaalsContact O-N 3.16Å; C213-L215 VanDerWaalsContact C-N 3.29Å; C213-L215 PolarHBondContact O-N 3.03Å; L215-H218 WeakPolarHBondContact O-CB 3.34Å; L215-H218 PolarHBondContact O-N 3.42Å; L215-M219 HydrophobicContact CG-SD 4.16Å; L215-M219 VanDerWaalsContact O-CG 3.3Å; L215-M219 WeakPolarHBondContact O-CG 3.46Å; L215-M219 PolarHBondContact O-N 2.89Å
216	L	98.1	Very high	96.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-40.1	178.8	-64	-177.1	0	0	0	112.1	L208 H212 C213 H218 M219 Q220 Y242 I251 V285 I286 L289	L208-L216 HydrophobicContact CD1-CD1 3.96Å; L208-L216 HydrophobicContact CD1-CD2 4.44Å; L208-L216 HydrophobicContact CD2-CD1 4.2Å; L208-L216 HydrophobicContact CD2-CD2 4.09Å; L208-L216 HydrophobicContact CD2-CG 4.37Å; H212-L216 WeakPolarHBondContact O-CG 3.41Å; H212-L216 PolarHBondContact O-N 3.43Å; C213-L216 PolarHBondContact O-N 2.9Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.37Å; L216-M219 HydrophobicContact CD2-SD 4.15Å; L216-M219 WeakPolarHBondContact O-CB 3.45Å; L216-M219 PolarHBondContact O-N 3.02Å; L216-Q220 PolarHBondContact O-N 3.32Å; L216-Y242 WeakPolarHBondContact CD2-OH 3.32Å; L216-I251 HydrophobicContact CD2-CD1 4.19Å; L216-V285 HydrophobicContact CD1-CG1 4.01Å; L216-I286 HydrophobicContact CB-CD1 4.27Å; L216-I286 HydrophobicContact CB-CG1 3.73Å; L216-I286 HydrophobicContact CD1-CG1 4.36Å; L216-L289 HydrophobicContact CD1-CD2 3.63Å
217	R	98.5	Very high	96.2	Very high	95 Å²	95	46.6 Å²	46.6	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-41.1	173.2	-66.4	-166.5	-149.2	107.9	-5.2	111.4	C213 D214 Q220 Q221 I286 E290	C213-R217 WeakPolarHBondContact O-CG 3.35Å; C213-R217 PolarHBondContact O-N 3.3Å; D214-R217 IonicContact OD1-CZ 2.76Å; D214-R217 IonicContact OD1-NH1 2.73Å; D214-R217 PolarHBondContact OD1-NH1 2.99Å; R217-Q220 PolarHBondContact O-N 3.17Å; R217-Q221 WeakPolarHBondContact O-CG 3.11Å; R217-Q221 PolarHBondContact O-N 2.77Å; R217-I286 HydrophobicContact CG-CD1 4.22Å; R217-I286 HydrophobicContact CG-CG2 4.09Å; R217-E290 IonicContact CZ-OE1 3.92Å; R217-E290 IonicContact NE-OE1 3.86Å; R217-E290 PolarHBondContact NE-OE1 3.2Å; R217-E290 IonicContact NH2-OE1 3.19Å; R217-E290 PolarHBondContact NH2-OE1 2.81Å
218	H	98.6	Very high	96.1	Very high	33 Å²	33	52.5 Å²	52.5	15%	0.153	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-44.2	173.9	-174.3	78.6	0	0	0	111.9	D177 K179 D214 L215 L216 Q220 Q221 V222	D177-H218 IonicContact OD1-NE2 3.44Å; D177-H218 PolarHBondContact OD1-NE2 3.3Å; D177-H218 IonicContact OD2-CE1 3.38Å; D177-H218 PolarHBondContact OD2-CE1 3.43Å; D177-H218 IonicContact OD2-NE2 2.81Å; D177-H218 PolarHBondContact OD2-NE2 2.74Å; K179-H218 HydrophobicContact CD-CB 4.42Å; D214-H218 WeakPolarHBondContact O-CB 3.25Å; D214-H218 PolarHBondContact O-N 3.12Å; L215-H218 WeakPolarHBondContact O-CB 3.34Å; L215-H218 PolarHBondContact O-N 3.42Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.37Å; H218-Q220 VanDerWaalsContact C-N 3.31Å; H218-Q220 PolarHBondContact O-N 2.87Å; H218-Q221 PolarHBondContact O-N 2.99Å; H218-V222 WeakPolarHBondContact O-CG2 3.15Å; H218-V222 PolarHBondContact O-N 2.88Å
219	M	98.6	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-40.9	175.4	-71.8	171.4	63	0	0	112	V180 V196 P198 L215 L216 V222 A223 Y242 L253	V180-M219 HydrophobicContact CG1-CG 3.62Å; V196-M219 HydrophobicContact CG1-CB 4.16Å; V196-M219 HydrophobicContact CG1-CG 4.1Å; V196-M219 WeakPolarHBondContact O-CE 3.39Å; P198-M219 HydrophobicContact CB-SD 4.22Å; P198-M219 HydrophobicContact CG-SD 4.14Å; L215-M219 HydrophobicContact CG-SD 4.16Å; L215-M219 VanDerWaalsContact O-CG 3.3Å; L215-M219 WeakPolarHBondContact O-CG 3.46Å; L215-M219 PolarHBondContact O-N 2.89Å; L216-M219 HydrophobicContact CD2-SD 4.15Å; L216-M219 WeakPolarHBondContact O-CB 3.45Å; L216-M219 PolarHBondContact O-N 3.02Å; M219-V222 PolarHBondContact O-N 2.9Å; M219-A223 PolarHBondContact O-N 2.98Å; M219-Y242 HydrophobicContact CE-CE1 4.26Å; M219-L253 HydrophobicContact CB-CD2 4.11Å; M219-L253 HydrophobicContact CE-CB 3.73Å; M219-L253 WeakPolarHBondContact O-CD2 3.48Å
220	Q	98.5	Very high	95.3	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-46.1	175.3	-178.7	55.4	40.5	0	0	111.8	L216 R217 H218 V222 A223 D224 S240 S282 I286	L216-Q220 PolarHBondContact O-N 3.32Å; R217-Q220 PolarHBondContact O-N 3.17Å; H218-Q220 VanDerWaalsContact C-N 3.31Å; H218-Q220 PolarHBondContact O-N 2.87Å; Q220-V222 VanDerWaalsContact C-N 3.27Å; Q220-V222 PolarHBondContact O-N 3.39Å; Q220-A223 WeakPolarHBondContact O-CA 3.34Å; Q220-A223 VanDerWaalsContact O-CB 3.31Å; Q220-A223 WeakPolarHBondContact O-CB 3.39Å; Q220-A223 PolarHBondContact O-N 3.2Å; Q220-D224 PolarHBondContact NE2-OD1 3.19Å; Q220-D224 PolarHBondContact NE2-OD2 3.49Å; Q220-D224 PolarHBondContact O-N 2.74Å; Q220-S240 PolarHBondContact NE2-OG 3.43Å; Q220-S240 VanDerWaalsContact NE2-OG 3.12Å; Q220-S240 PolarHBondContact OE1-OG 3.34Å; Q220-S282 PolarHBondContact OE1-OG 3.2Å; Q220-I286 HydrophobicContact CB-CD1 4.29Å
221	Q	98.1	Very high	95	Very high	120 Å²	120	56.9 Å²	56.9	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-38.8	176.4	-70.7	169.6	14.7	0	0	112.3	R217 H218 D224 R225	R217-Q221 WeakPolarHBondContact O-CG 3.11Å; R217-Q221 PolarHBondContact O-N 2.77Å; H218-Q221 PolarHBondContact O-N 2.99Å; Q221-D224 PolarHBondContact O-N 2.9Å; Q221-R225 PolarHBondContact O-N 3.45Å
222	V	97.9	Very high	94.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-41.5	173.8	171.1	0	0	0	0	110.6	Y175 V180 V182 V196 H218 M219 Q220 D224 R225 M226	Y175-V222 HydrophobicContact CD1-CG1 3.87Å; Y175-V222 HydrophobicContact CE1-CG1 3.88Å; Y175-V222 HydrophobicContact CE1-CG2 3.97Å; V180-V222 HydrophobicContact CG2-CB 4.38Å; V180-V222 HydrophobicContact CG2-CG1 4.22Å; V180-V222 HydrophobicContact CG2-CG2 3.9Å; V182-V222 HydrophobicContact CG2-CG1 3.44Å; V182-V222 VanDerWaalsContact CG2-CG1 3.44Å; V196-V222 HydrophobicContact CG1-CB 4.37Å; V196-V222 HydrophobicContact CG1-CG1 4.06Å; V196-V222 HydrophobicContact CG2-CG1 4.43Å; H218-V222 WeakPolarHBondContact O-CG2 3.15Å; H218-V222 PolarHBondContact O-N 2.88Å; M219-V222 PolarHBondContact O-N 2.9Å; Q220-V222 VanDerWaalsContact C-N 3.27Å; Q220-V222 PolarHBondContact O-N 3.39Å; V222-D224 PolarHBondContact O-N 2.9Å; V222-R225 WeakPolarHBondContact O-CB 3.11Å; V222-R225 PolarHBondContact O-N 2.94Å; V222-M226 VanDerWaalsContact O-CG 3.32Å; V222-M226 WeakPolarHBondContact O-CG 3.23Å; V222-M226 PolarHBondContact O-N 3.15Å
223	A	97.7	Very high	94	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-45.9	173.9	0	0	0	0	0	112.3	V196 M219 Q220 R225 M226 I227 L253 V255	V196-A223 HydrophobicContact CG2-CB 4.32Å; M219-A223 PolarHBondContact O-N 2.98Å; Q220-A223 WeakPolarHBondContact O-CA 3.34Å; Q220-A223 VanDerWaalsContact O-CB 3.31Å; Q220-A223 WeakPolarHBondContact O-CB 3.39Å; Q220-A223 PolarHBondContact O-N 3.2Å; A223-R225 VanDerWaalsContact C-N 3.32Å; A223-R225 PolarHBondContact O-N 3.03Å; A223-M226 WeakPolarHBondContact O-CB 3.34Å; A223-M226 PolarHBondContact O-N 3.06Å; A223-M226 VanDerWaalsContact O-N 3.15Å; A223-I227 WeakPolarHBondContact O-CG1 3.41Å; A223-I227 PolarHBondContact O-N 2.99Å; A223-L253 HydrophobicContact CB-CD2 3.8Å; A223-V255 HydrophobicContact CB-CG1 4.44Å; A223-V255 HydrophobicContact CB-CG2 3.4Å; A223-V255 VanDerWaalsContact CB-CG2 3.4Å
224	D	95.9	Very high	93.7	Very high	65 Å²	65	58.4 Å²	58.4	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-41	178	-64.5	-33.3	0	0	0	111.6	Q220 Q221 V222 M226 I227 Q228	Q220-D224 PolarHBondContact NE2-OD1 3.19Å; Q220-D224 PolarHBondContact NE2-OD2 3.49Å; Q220-D224 PolarHBondContact O-N 2.74Å; Q221-D224 PolarHBondContact O-N 2.9Å; V222-D224 PolarHBondContact O-N 2.9Å; D224-M226 PolarHBondContact O-N 2.96Å; D224-I227 PolarHBondContact O-N 3.47Å; D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.35Å; D224-Q228 PolarHBondContact O-N 2.87Å
225	R	93.9	Very high	93.5	Very high	112 Å²	112	56.9 Å²	56.9	42%	0.423	30%	0.297	S	S	.	.	H	α-helix	trans	-60.6	-44.6	173.6	-177	-177	-65.8	169.4	0.1	111.8	Y175 Q221 V222 A223 I227 Q228 Q229	Y175-R225 PolarHBondContact OH-NH1 3.3Å; Y175-R225 VanDerWaalsContact OH-NH1 3.13Å; Q221-R225 PolarHBondContact O-N 3.45Å; V222-R225 WeakPolarHBondContact O-CB 3.11Å; V222-R225 PolarHBondContact O-N 2.94Å; A223-R225 VanDerWaalsContact C-N 3.32Å; A223-R225 PolarHBondContact O-N 3.03Å; R225-I227 VanDerWaalsContact C-N 3.28Å; R225-I227 PolarHBondContact O-N 2.71Å; R225-Q228 PolarHBondContact O-N 2.98Å; R225-Q229 HydrophobicContact CG-CG 4.46Å; R225-Q229 WeakPolarHBondContact O-CB 3.44Å; R225-Q229 WeakPolarHBondContact O-CG 3.47Å; R225-Q229 PolarHBondContact O-N 3.25Å
226	M	91.7	Very high	93.2	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-39	177.6	-66.9	-55.8	-55.2	0	0	111.6	V174 V182 W194 V222 A223 D224 C230	V174-M226 HydrophobicContact CB-CE 4.33Å; V174-M226 HydrophobicContact CG2-CE 3.59Å; V174-M226 HydrophobicContact CG2-SD 4.48Å; V182-M226 HydrophobicContact CB-SD 4.43Å; V182-M226 HydrophobicContact CG1-CE 4.18Å; V182-M226 HydrophobicContact CG1-CG 4.1Å; V182-M226 HydrophobicContact CG1-SD 4.14Å; V182-M226 HydrophobicContact CG2-CG 4.28Å; V182-M226 HydrophobicContact CG2-SD 4.32Å; W194-M226 HydrophobicContact CD2-CE 4.42Å; W194-M226 HydrophobicContact CE3-CB 4.43Å; V222-M226 VanDerWaalsContact O-CG 3.32Å; V222-M226 WeakPolarHBondContact O-CG 3.23Å; V222-M226 PolarHBondContact O-N 3.15Å; A223-M226 WeakPolarHBondContact O-CB 3.34Å; A223-M226 PolarHBondContact O-N 3.06Å; A223-M226 VanDerWaalsContact O-N 3.15Å; D224-M226 PolarHBondContact O-N 2.96Å; M226-C230 PolarHBondContact O-N 2.87Å
227	I	92.6	Very high	93.1	Very high	32 Å²	32	66.8 Å²	66.8	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-49	176	-65.2	163.6	0	0	0	110.2	A223 D224 R225 Q229 C230 A233 F238 V255	A223-I227 WeakPolarHBondContact O-CG1 3.41Å; A223-I227 PolarHBondContact O-N 2.99Å; D224-I227 PolarHBondContact O-N 3.47Å; R225-I227 VanDerWaalsContact C-N 3.28Å; R225-I227 PolarHBondContact O-N 2.71Å; I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.31Å; I227-C230 WeakPolarHBondContact O-CB 3.48Å; I227-C230 PolarHBondContact O-N 3.45Å; I227-A233 WeakPolarHBondContact O-CB 3.38Å; I227-F238 HydrophobicContact CB-CG 4.5Å; I227-F238 HydrophobicContact CD1-CB 3.63Å; I227-F238 HydrophobicContact CD1-CG 4.19Å; I227-F238 HydrophobicContact CG1-CB 3.86Å; I227-F238 HydrophobicContact CG1-CD1 3.92Å; I227-F238 HydrophobicContact CG1-CD2 4.48Å; I227-F238 HydrophobicContact CG1-CG 3.84Å; I227-F238 HydrophobicContact CG2-CB 4.17Å; I227-F238 HydrophobicContact CG2-CD2 3.75Å; I227-F238 HydrophobicContact CG2-CE2 4.33Å; I227-F238 HydrophobicContact CG2-CG 3.94Å; I227-V255 HydrophobicContact CD1-CG1 3.89Å; I227-V255 HydrophobicContact CG1-CG1 3.67Å
228	Q	91.1	Very high	93.1	Very high	152 Å²	152	63.8 Å²	63.8	71%	0.71	32%	0.323	S	S	*	.	H	α-helix	trans	-60.8	-33	-179.2	-72.9	172	6.6	0	0	113.5	D224 R225 C230	D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.35Å; D224-Q228 PolarHBondContact O-N 2.87Å; R225-Q228 PolarHBondContact O-N 2.98Å; Q228-C230 VanDerWaalsContact C-N 3.3Å
229	Q	85.6	Confident	93	Very high	135 Å²	135	65 Å²	65	63%	0.631	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.5	178.4	-67.6	178.7	-20.6	0	0	113.2	R225 I227	R225-Q229 HydrophobicContact CG-CG 4.46Å; R225-Q229 WeakPolarHBondContact O-CB 3.44Å; R225-Q229 WeakPolarHBondContact O-CG 3.47Å; R225-Q229 PolarHBondContact O-N 3.25Å; I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.31Å
230	C	87.7	Confident	93	Very high	8 Å²	8	65.8 Å²	65.8	5%	0.054	33%	0.332	C	S	.	.	S	Bend	trans	-71	132.1	177.4	-174.4	0	0	0	0	110.5	Y192 W194 M226 I227 Q228 D232 A233 F238	Y192-C230 WeakPolarHBondContact CE1-SG 3.39Å; W194-C230 HydrophobicContact CH2-CB 4.05Å; M226-C230 PolarHBondContact O-N 2.87Å; I227-C230 WeakPolarHBondContact O-CB 3.48Å; I227-C230 PolarHBondContact O-N 3.45Å; Q228-C230 VanDerWaalsContact C-N 3.3Å; C230-D232 PolarHBondContact O-N 2.78Å; C230-D232 VanDerWaalsContact O-N 3.15Å; C230-A233 HydrophobicContact CB-CB 4.21Å; C230-A233 VanDerWaalsContact O-CB 3.25Å; C230-A233 WeakPolarHBondContact O-CB 3.42Å; C230-A233 PolarHBondContact O-N 2.82Å; C230-F238 HydrophobicContact CB-CZ 4.32Å
231	P	86.3	Confident	93	Very high	109 Å²	109	65 Å²	65	71%	0.708	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.6	176.5	-26.8	35.6	0	0	0	113.4
232	D	87.8	Confident	93	Very high	54 Å²	54	59.5 Å²	59.5	29%	0.289	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	18.7	-177.9	-62.4	-34.7	0	0	0	113.2	Y192 C230 S234 T235 L236	Y192-D232 HydrophobicContact CE2-CB 3.77Å; Y192-D232 WeakPolarHBondContact CE2-OD2 3.45Å; Y192-D232 VanDerWaalsContact CZ-OD2 3.31Å; Y192-D232 PolarHBondContact OH-OD2 3.31Å; C230-D232 PolarHBondContact O-N 2.78Å; C230-D232 VanDerWaalsContact O-N 3.15Å; D232-S234 PolarHBondContact O-N 3.16Å; D232-T235 PolarHBondContact O-N 3.08Å; D232-T235 VanDerWaalsContact O-N 3.17Å; D232-T235 PolarHBondContact O-OG1 3.3Å; D232-L236 HydrophobicContact CB-CD1 3.73Å; D232-L236 HydrophobicContact CB-CG 4.03Å; D232-L236 PolarHBondContact O-N 3.28Å
233	A	84.8	Confident	92.9	Very high	36 Å²	36	60.1 Å²	60.1	30%	0.298	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	-177.8	0	0	0	0	0	113.7	I227 C230	I227-A233 WeakPolarHBondContact O-CB 3.38Å; C230-A233 HydrophobicContact CB-CB 4.21Å; C230-A233 VanDerWaalsContact O-CB 3.25Å; C230-A233 WeakPolarHBondContact O-CB 3.42Å; C230-A233 PolarHBondContact O-N 2.82Å
234	S	88.9	Confident	92.5	Very high	115 Å²	115	60.4 Å²	60.4	80%	0.804	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-20.8	-178.3	58.6	0	0	0	0	113.5	D232	D232-S234 PolarHBondContact O-N 3.16Å
235	T	92.3	Very high	92.1	Very high	75 Å²	75	61.3 Å²	61.3	46%	0.46	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-34	-174.7	58.5	0	0	0	0	112.1	D232 P333	D232-T235 PolarHBondContact O-N 3.08Å; D232-T235 VanDerWaalsContact O-N 3.17Å; D232-T235 PolarHBondContact O-OG1 3.3Å; T235-P333 WeakPolarHBondContact O-CG 3.49Å
236	L	93.3	Very high	91.3	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.073	30%	0.303	C	S	.	.	S	Bend	trans	-100.1	139.9	-179.6	-63.8	176.9	0	0	0	111.4	Y192 D232 F238 D259 P333	Y192-L236 HydrophobicContact CD2-CD1 3.71Å; Y192-L236 HydrophobicContact CE2-CD1 3.65Å; D232-L236 HydrophobicContact CB-CD1 3.73Å; D232-L236 HydrophobicContact CB-CG 4.03Å; D232-L236 PolarHBondContact O-N 3.28Å; L236-F238 HydrophobicContact CB-CD2 4.48Å; L236-F238 HydrophobicContact CB-CE2 3.84Å; L236-F238 HydrophobicContact CB-CZ 4.42Å; L236-F238 WeakPolarHBondContact O-CD2 3.18Å; L236-D259 HydrophobicContact CD2-CB 4.1Å; L236-P333 HydrophobicContact CD2-CG 4.08Å
237	R	95.9	Very high	90.2	Very high	210 Å²	210	60.3 Å²	60.3	79%	0.792	32%	0.322	S	S	*	.			trans	-81.5	145.3	166.4	-66.5	-176.1	179	178.1	-0.7	109.6	S257 Q258	R237-S257 CarbonylContact O-C 3.58Å; R237-S257 WeakPolarHBondContact O-CA 3.3Å; R237-Q258 HydrophobicContact CB-CB 4.22Å; R237-Q258 HydrophobicContact CB-CG 4.2Å; R237-Q258 PolarHBondContact O-N 2.61Å
238	F	97.3	Very high	89.3	Confident	32 Å²	32	61.1 Å²	61.1	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.1	176.4	-73.8	-99.1	0	0	0	110.4	Y192 W194 I227 C230 L236 I256	Y192-F238 HydrophobicContact CD2-CE1 4.4Å; Y192-F238 AromaticContact CD2-CZ 3.93Å; Y192-F238 HydrophobicContact CD2-CZ 3.93Å; Y192-F238 HydrophobicContact CG-CE1 4.21Å; Y192-F238 HydrophobicContact CG-CZ 4.1Å; W194-F238 HydrophobicContact CH2-CE1 4.22Å; W194-F238 HydrophobicContact CZ3-CD1 4.34Å; W194-F238 AromaticContact CZ3-CE1 3.66Å; W194-F238 HydrophobicContact CZ3-CE1 3.66Å; W194-F238 HydrophobicContact CZ3-CZ 4.44Å; I227-F238 HydrophobicContact CB-CG 4.5Å; I227-F238 HydrophobicContact CD1-CB 3.63Å; I227-F238 HydrophobicContact CD1-CG 4.19Å; I227-F238 HydrophobicContact CG1-CB 3.86Å; I227-F238 HydrophobicContact CG1-CD1 3.92Å; I227-F238 HydrophobicContact CG1-CD2 4.48Å; I227-F238 HydrophobicContact CG1-CG 3.84Å; I227-F238 HydrophobicContact CG2-CB 4.17Å; I227-F238 HydrophobicContact CG2-CD2 3.75Å; I227-F238 HydrophobicContact CG2-CE2 4.33Å; I227-F238 HydrophobicContact CG2-CG 3.94Å; C230-F238 HydrophobicContact CB-CZ 4.32Å; L236-F238 HydrophobicContact CB-CD2 4.48Å; L236-F238 HydrophobicContact CB-CE2 3.84Å; L236-F238 HydrophobicContact CB-CZ 4.42Å; L236-F238 WeakPolarHBondContact O-CD2 3.18Å; F238-I256 WeakPolarHBondContact CA-O 3.22Å
239	R	98.1	Very high	88.5	Confident	60 Å²	60	55.6 Å²	55.6	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.5	163.6	-73.9	-179.2	65.8	-159.8	8.9	109.6	I256 Q258 F274 F279 D281	R239-I256 PolarHBondContact N-O 2.93Å; R239-I256 PolarHBondContact O-N 3.46Å; R239-Q258 VanDerWaalsContact CD-OE1 3.29Å; R239-Q258 HydrophobicContact CG-CG 4.15Å; R239-F274 PolarHBondContact NH1-O 3.33Å; R239-F279 HydrophobicContact CB-CE1 4.29Å; R239-D281 IonicContact CZ-OD1 2.81Å; R239-D281 VanDerWaalsContact CZ-OD1 3.29Å; R239-D281 IonicContact CZ-OD2 3.77Å; R239-D281 IonicContact NE-OD1 2.75Å; R239-D281 PolarHBondContact NE-OD1 3.3Å; R239-D281 IonicContact NE-OD2 3.25Å; R239-D281 IonicContact NH2-OD1 2.99Å; R239-D281 PolarHBondContact NH2-OD1 3.26Å; R239-D281 IonicContact NH2-OD2 2.98Å; R239-D281 PolarHBondContact NH2-OD2 2.95Å
240	S	98.6	Very high	88.5	Confident	16 Å²	16	49.4 Å²	49.4	11%	0.112	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.2	170.8	56.6	0	0	0	0	110.2	Q220 H254 S282	Q220-S240 PolarHBondContact NE2-OG 3.43Å; Q220-S240 VanDerWaalsContact NE2-OG 3.12Å; Q220-S240 PolarHBondContact OE1-OG 3.34Å; S240-H254 CarbonylContact C-O 3.47Å; S240-H254 WeakPolarHBondContact CA-O 3.47Å; S240-S282 PolarHBondContact O-N 2.97Å
241	G	98.2	Very high	88.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	-171.3	-178.5	0	0	0	0	0	115.2	H254 F279 I280	G241-H254 PolarHBondContact N-O 2.55Å; G241-H254 WeakPolarHBondContact O-CB 3.19Å; G241-H254 PolarHBondContact O-N 3.08Å; G241-F279 VanDerWaalsContact C-CZ 3.44Å; G241-F279 VanDerWaalsContact CA-CE1 3.43Å; G241-F279 VanDerWaalsContact CA-CZ 3.43Å; G241-I280 CarbonylContact C-O 3.5Å; G241-I280 VanDerWaalsContact CA-O 3.22Å; G241-I280 WeakPolarHBondContact CA-O 3.41Å
242	Y	97.6	Very high	89.3	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.6	-170.7	-56.3	-88	0	0	0	111.2	L205 L216 M219 I251 H252 L253 F279 I280 V285	L205-Y242 HydrophobicContact CD2-CD1 4.08Å; L205-Y242 HydrophobicContact CD2-CD2 4.25Å; L205-Y242 HydrophobicContact CD2-CG 3.81Å; L216-Y242 WeakPolarHBondContact CD2-OH 3.32Å; M219-Y242 HydrophobicContact CE-CE1 4.26Å; Y242-I251 HydrophobicContact CD1-CD1 4.13Å; Y242-I251 HydrophobicContact CD1-CG1 3.83Å; Y242-I251 HydrophobicContact CE1-CD1 3.74Å; Y242-I251 HydrophobicContact CE1-CG1 3.63Å; Y242-H252 VanDerWaalsContact CD1-O 3.29Å; Y242-H252 WeakPolarHBondContact CD1-O 3.32Å; Y242-L253 HydrophobicContact CD2-CD1 4.2Å; Y242-L253 HydrophobicContact CE1-CB 3.72Å; Y242-L253 HydrophobicContact CE1-CD1 4.14Å; Y242-L253 HydrophobicContact CE2-CD1 3.68Å; Y242-F279 WeakPolarHBondContact O-CA 3.5Å; Y242-I280 PolarHBondContact N-O 3.17Å; Y242-I280 PolarHBondContact O-N 2.96Å; Y242-V285 HydrophobicContact CD2-CB 4.19Å; Y242-V285 HydrophobicContact CD2-CG1 4.42Å; Y242-V285 HydrophobicContact CD2-CG2 3.71Å; Y242-V285 HydrophobicContact CE2-CB 4.21Å; Y242-V285 HydrophobicContact CE2-CG1 4.32Å; Y242-V285 HydrophobicContact CE2-CG2 4.24Å
243	H	95.6	Very high	89.8	Confident	17 Å²	17	41.9 Å²	41.9	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.1	165.5	-70.7	135.1	0	0	0	110.9	I245 H254 S273 F274 Y278 F279	H243-I245 PolarHBondContact O-N 3.19Å; H243-H254 AromaticContact CE1-CD2 3.99Å; H243-H254 AromaticContact CE1-CE1 3.69Å; H243-H254 AromaticContact CE1-NE2 3.31Å; H243-H254 PolarHBondContact CE1-NE2 2.95Å; H243-H254 VanDerWaalsContact CE1-NE2 3.31Å; H243-H254 AromaticContact ND1-CD2 3.83Å; H243-H254 AromaticContact ND1-CE1 3.84Å; H243-H254 AromaticContact ND1-NE2 3.08Å; H243-H254 PolarHBondContact ND1-NE2 2.69Å; H243-S273 PolarHBondContact CD2-O 3.3Å; H243-S273 WeakPolarHBondContact NE2-CB 3.42Å; H243-S273 PolarHBondContact NE2-O 3.18Å; H243-S273 PolarHBondContact NE2-OG 3.12Å; H243-F274 AromaticContact CE1-CE1 3.83Å; H243-F274 AromaticContact CE1-CE2 3.87Å; H243-F274 AromaticContact CE1-CZ 3.42Å; H243-F274 VanDerWaalsContact CE1-CZ 3.42Å; H243-F274 WeakPolarHBondContact CE1-CZ 3.42Å; H243-F274 AromaticContact NE2-CD1 3.97Å; H243-F274 AromaticContact NE2-CE1 3.63Å; H243-F274 AromaticContact NE2-CE2 3.65Å; H243-F274 AromaticContact NE2-CZ 3.47Å; H243-F274 WeakPolarHBondContact NE2-CZ 3.49Å; H243-Y278 HydrophobicContact CB-CD1 4.31Å; H243-Y278 HydrophobicContact CB-CE1 3.83Å; H243-Y278 AromaticContact CD2-CD1 3.82Å; H243-Y278 AromaticContact CD2-CE1 3.9Å; H243-F279 AromaticContact CD2-CD2 3.96Å
244	A	89.9	Confident	90.4	Very high	6 Å²	6	40.4 Å²	40.4	5%	0.05	22%	0.215	C	C	.	.	S	Bend	trans	-48.6	-42.9	175.6	0	0	0	0	0	112.9	Y278 I280 V297	A244-Y278 HydrophobicContact CB-CD2 4.29Å; A244-Y278 HydrophobicContact CB-CE2 4.49Å; A244-Y278 HydrophobicContact CB-CG 4.39Å; A244-Y278 WeakPolarHBondContact CB-O 3.22Å; A244-Y278 PolarHBondContact N-O 2.85Å; A244-I280 HydrophobicContact CB-CD1 4.07Å; A244-I280 HydrophobicContact CB-CG1 4.41Å; A244-V297 HydrophobicContact CB-CG1 3.74Å
245	I	86.2	Confident	90.9	Very high	84 Å²	84	34.9 Å²	34.9	43%	0.431	18%	0.177	S	C	.	.	S	Bend	trans	-124.8	104.2	170.8	-54.5	167.3	0	0	0	107.3	H243 Y278	H243-I245 PolarHBondContact O-N 3.19Å; I245-Y278 HydrophobicContact CB-CE2 4.47Å; I245-Y278 WeakPolarHBondContact CB-OH 3.3Å; I245-Y278 PolarHBondContact O-OH 2.9Å
246	P	78	Confident	91.2	Very high	38 Å²	38	31.4 Å²	31.4	25%	0.247	16%	0.155	C	C	.	.			trans	-69.4	146.1	-174.9	28.4	-34.7	0	0	0	111.1	M248	P246-M248 VanDerWaalsContact C-N 3.31Å
247	S	68.4	Low	91.4	Very high	69 Å²	69	30.7 Å²	30.7	48%	0.483	15%	0.151	S	C	.	.	S	Bend	trans	-82.2	-12.3	177.8	-63.4	0	0	0	0	113.2
248	M	73.2	Confident	91.5	Very high	50 Å²	50	22 Å²	22	25%	0.246	12%	0.119	C	C	.	.	S	Bend	trans	-129.2	152	178.8	-64.5	-177.6	-75.4	0	0	109.3	L163 P246	L163-M248 HydrophobicContact CD1-CB 3.75Å; L163-M248 HydrophobicContact CD1-CE 3.65Å; L163-M248 HydrophobicContact CD1-CG 4.42Å; L163-M248 HydrophobicContact CD1-SD 3.89Å; L163-M248 HydrophobicContact CD2-CE 3.74Å; L163-M248 HydrophobicContact CD2-SD 4.11Å; L163-M248 HydrophobicContact CG-CB 4.37Å; L163-M248 HydrophobicContact CG-CE 3.71Å; L163-M248 HydrophobicContact CG-SD 3.6Å; L163-M248 VanDerWaalsContact CG-SD 3.6Å; P246-M248 VanDerWaalsContact C-N 3.31Å
249	S	75.1	Confident	91.5	Very high	35 Å²	35	20.9 Å²	20.9	25%	0.245	12%	0.115	C	C	.	.	S	Bend	trans	-73.4	149.9	168.9	51	0	0	0	0	109.6	S160 Q161	S160-S249 PolarHBondContact O-OG 3.21Å; S160-S249 PolarHBondContact OG-OG 2.81Å; Q161-S249 PolarHBondContact NE2-OG 3.43Å
250	H	86.4	Confident	91.5	Very high	5 Å²	5	18.1 Å²	18.1	2%	0.023	11%	0.105	C	C	.	.	S	Bend	trans	87	121.9	-173.2	-156.1	93.1	0	0	0	111.8	P198 Q200 S201 I202 P203 H252	P198-H250 PolarHBondContact O-CE1 3.16Å; P198-H250 VanDerWaalsContact O-CE1 3.3Å; P198-H250 PolarHBondContact O-NE2 3.4Å; Q200-H250 PolarHBondContact O-CE1 3.35Å; Q200-H250 VanDerWaalsContact O-CE1 3.23Å; S201-H250 PolarHBondContact OG-ND1 2.97Å; I202-H250 CarbonylContact O-C 3.59Å; I202-H250 VanDerWaalsContact O-CA 3.27Å; I202-H250 WeakPolarHBondContact O-CA 3.35Å; P203-H250 PolarHBondContact O-N 2.82Å; H250-H252 PolarHBondContact O-ND1 2.98Å
251	I	93.3	Very high	91.4	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	12%	0.115	C	C	.	.			trans	-61	138.2	178.5	-165.9	173.5	0	0	0	109.9	P198 I202 L205 L208 L216 Y242	P198-I251 WeakPolarHBondContact CD-O 3.25Å; P198-I251 HydrophobicContact CG-CG2 3.56Å; I202-I251 HydrophobicContact CB-CB 4.41Å; I202-I251 HydrophobicContact CB-CG2 3.78Å; I202-I251 HydrophobicContact CD1-CG2 4.29Å; I202-I251 HydrophobicContact CG2-CB 4.47Å; I202-I251 HydrophobicContact CG2-CG2 4.23Å; I202-I251 PolarHBondContact O-N 2.83Å; L205-I251 HydrophobicContact CD2-CD1 3.95Å; L208-I251 HydrophobicContact CD1-CD1 3.72Å; L208-I251 HydrophobicContact CD2-CD1 3.99Å; L208-I251 HydrophobicContact CG-CD1 4.1Å; L216-I251 HydrophobicContact CD2-CD1 4.19Å; Y242-I251 HydrophobicContact CD1-CD1 4.13Å; Y242-I251 HydrophobicContact CD1-CG1 3.83Å; Y242-I251 HydrophobicContact CE1-CD1 3.74Å; Y242-I251 HydrophobicContact CE1-CG1 3.63Å
252	H	95.7	Very high	91.3	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	12%	0.116	C	C	.	.			trans	-145.7	127.2	176.7	44.4	-82.2	0	0	0	108.2	L163 L195 V196 L197 Y242 H250 H254	L163-H252 WeakPolarHBondContact CD1-ND1 2.99Å; L195-H252 HydrophobicContact CB-CB 4.46Å; V196-H252 WeakPolarHBondContact O-CA 3.39Å; L197-H252 HydrophobicContact CD2-CB 3.88Å; L197-H252 HydrophobicContact CG-CB 3.96Å; Y242-H252 VanDerWaalsContact CD1-O 3.29Å; Y242-H252 WeakPolarHBondContact CD1-O 3.32Å; H250-H252 PolarHBondContact O-ND1 2.98Å; H252-H254 AromaticContact CD2-CD2 3.93Å; H252-H254 AromaticContact CD2-CE1 3.69Å; H252-H254 AromaticContact CD2-NE2 3.3Å; H252-H254 PolarHBondContact CD2-NE2 3.21Å; H252-H254 VanDerWaalsContact CD2-NE2 3.3Å; H252-H254 AromaticContact NE2-CE1 3.97Å; H252-H254 AromaticContact NE2-NE2 3.46Å; H252-H254 PolarHBondContact NE2-NE2 3.49Å
253	L	98.3	Very high	91.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.7	172.8	173.7	67.4	0	0	0	107.6	L195 V196 M219 A223 Y242	L195-L253 WeakPolarHBondContact CA-O 3.31Å; V196-L253 HydrophobicContact CB-CB 4.13Å; V196-L253 HydrophobicContact CB-CD2 4.46Å; V196-L253 HydrophobicContact CG2-CD2 4.32Å; V196-L253 PolarHBondContact N-O 3.43Å; V196-L253 PolarHBondContact O-N 3.49Å; M219-L253 HydrophobicContact CB-CD2 4.11Å; M219-L253 HydrophobicContact CE-CB 3.73Å; M219-L253 WeakPolarHBondContact O-CD2 3.48Å; A223-L253 HydrophobicContact CB-CD2 3.8Å; Y242-L253 HydrophobicContact CD2-CD1 4.2Å; Y242-L253 HydrophobicContact CE1-CB 3.72Å; Y242-L253 HydrophobicContact CE1-CD1 4.14Å; Y242-L253 HydrophobicContact CE2-CD1 3.68Å
254	H	98.4	Very high	91.2	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.6	171.2	-68.4	-86.3	0	0	0	108.8	H193 L195 S240 G241 H243 H252 F274 F279	H193-H254 AromaticContact CE1-ND1 3.53Å; H193-H254 AromaticContact NE2-CE1 3.84Å; H193-H254 AromaticContact NE2-CG 3.75Å; H193-H254 AromaticContact NE2-ND1 2.87Å; H193-H254 PolarHBondContact NE2-ND1 2.83Å; L195-H254 VanDerWaalsContact CD2-ND1 3.27Å; L195-H254 WeakPolarHBondContact CD2-ND1 3.3Å; S240-H254 CarbonylContact C-O 3.47Å; S240-H254 WeakPolarHBondContact CA-O 3.47Å; G241-H254 PolarHBondContact N-O 2.55Å; G241-H254 WeakPolarHBondContact O-CB 3.19Å; G241-H254 PolarHBondContact O-N 3.08Å; H243-H254 AromaticContact CE1-CD2 3.99Å; H243-H254 AromaticContact CE1-CE1 3.69Å; H243-H254 AromaticContact CE1-NE2 3.31Å; H243-H254 PolarHBondContact CE1-NE2 2.95Å; H243-H254 VanDerWaalsContact CE1-NE2 3.31Å; H243-H254 AromaticContact ND1-CD2 3.83Å; H243-H254 AromaticContact ND1-CE1 3.84Å; H243-H254 AromaticContact ND1-NE2 3.08Å; H243-H254 PolarHBondContact ND1-NE2 2.69Å; H252-H254 AromaticContact CD2-CD2 3.93Å; H252-H254 AromaticContact CD2-CE1 3.69Å; H252-H254 AromaticContact CD2-NE2 3.3Å; H252-H254 PolarHBondContact CD2-NE2 3.21Å; H252-H254 VanDerWaalsContact CD2-NE2 3.3Å; H252-H254 AromaticContact NE2-CE1 3.97Å; H252-H254 AromaticContact NE2-NE2 3.46Å; H252-H254 PolarHBondContact NE2-NE2 3.49Å; H254-F274 HydrophobicContact CB-CE1 4.24Å; H254-F274 AromaticContact CG-CE1 3.94Å; H254-F274 AromaticContact ND1-CE1 3.82Å; H254-F274 AromaticContact ND1-CZ 3.98Å; H254-F279 HydrophobicContact CB-CE2 3.77Å; H254-F279 HydrophobicContact CB-CZ 3.91Å
255	V	98.4	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.7	168	-173.2	0	0	0	0	106.3	H193 W194 V196 A223 I227	H193-V255 CarbonylContact C-O 3.46Å; H193-V255 WeakPolarHBondContact CA-O 3.43Å; W194-V255 HydrophobicContact CB-CB 4.34Å; W194-V255 HydrophobicContact CE3-CB 4.13Å; W194-V255 HydrophobicContact CE3-CG1 3.88Å; W194-V255 HydrophobicContact CZ3-CG1 4.33Å; W194-V255 PolarHBondContact N-O 2.71Å; W194-V255 PolarHBondContact O-N 2.86Å; V196-V255 HydrophobicContact CG2-CG2 3.81Å; A223-V255 HydrophobicContact CB-CG1 4.44Å; A223-V255 HydrophobicContact CB-CG2 3.4Å; A223-V255 VanDerWaalsContact CB-CG2 3.4Å; I227-V255 HydrophobicContact CD1-CG1 3.89Å; I227-V255 HydrophobicContact CG1-CG1 3.67Å
256	I	98.5	Very high	91.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.5	-165.2	-170.5	170.9	0	0	0	112	K189 A190 Y192 H193 F238 R239 Q258 F260 F274 F279	K189-I256 HydrophobicContact CB-CD1 3.91Å; A190-I256 HydrophobicContact CB-CD1 4.2Å; A190-I256 HydrophobicContact CB-CG1 3.79Å; Y192-I256 WeakPolarHBondContact O-CA 3.25Å; H193-I256 HydrophobicContact CB-CG1 4.32Å; F238-I256 WeakPolarHBondContact CA-O 3.22Å; R239-I256 PolarHBondContact N-O 2.93Å; R239-I256 PolarHBondContact O-N 3.46Å; I256-Q258 PolarHBondContact O-NE2 2.82Å; I256-F260 HydrophobicContact CD1-CD1 4.31Å; I256-F260 HydrophobicContact CD1-CE1 3.87Å; I256-F274 HydrophobicContact CD1-CD1 3.79Å; I256-F274 HydrophobicContact CD1-CE1 3.78Å; I256-F274 HydrophobicContact CD1-CG 4.17Å; I256-F274 HydrophobicContact CD1-CZ 4.18Å; I256-F274 HydrophobicContact CG2-CD1 4.09Å; I256-F274 HydrophobicContact CG2-CE1 4.4Å; I256-F279 HydrophobicContact CG2-CZ 4.36Å
257	S	98.1	Very high	92.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.3	171.6	61.3	0	0	0	0	110.9	A190 Y192 R237 D259	A190-S257 WeakPolarHBondContact CB-O 3.32Å; A190-S257 VanDerWaalsContact CB-OG 3.32Å; A190-S257 WeakPolarHBondContact CB-OG 3.46Å; Y192-S257 PolarHBondContact N-OG 2.92Å; Y192-S257 VanDerWaalsContact N-OG 3.08Å; Y192-S257 PolarHBondContact O-N 3.05Å; Y192-S257 PolarHBondContact O-OG 2.88Å; R237-S257 CarbonylContact O-C 3.58Å; R237-S257 WeakPolarHBondContact O-CA 3.3Å; S257-D259 VanDerWaalsContact C-N 3.3Å; S257-D259 WeakPolarHBondContact CB-OD1 3.01Å; S257-D259 PolarHBondContact O-N 3.38Å; S257-D259 PolarHBondContact OG-OD1 3.08Å
258	Q	97.7	Very high	94.1	Very high	26 Å²	26	30.4 Å²	30.4	12%	0.121	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.9	-172.8	-63	-62.4	-79	0	0	113.4	R237 R239 I256 F260 H312	R237-Q258 HydrophobicContact CB-CB 4.22Å; R237-Q258 HydrophobicContact CB-CG 4.2Å; R237-Q258 PolarHBondContact O-N 2.61Å; R239-Q258 VanDerWaalsContact CD-OE1 3.29Å; R239-Q258 HydrophobicContact CG-CG 4.15Å; I256-Q258 PolarHBondContact O-NE2 2.82Å; Q258-F260 VanDerWaalsContact C-N 3.31Å; Q258-F260 HydrophobicContact CB-CE2 4.45Å; Q258-F260 VanDerWaalsContact O-CD2 3.23Å; Q258-F260 WeakPolarHBondContact O-CD2 3.38Å; Q258-H312 PolarHBondContact O-CE1 3.33Å; Q258-H312 PolarHBondContact O-NE2 2.92Å; Q258-H312 VanDerWaalsContact O-NE2 3.11Å
259	D	97.2	Very high	95.2	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.3	172.4	54.9	-93.9	0	0	0	112.6	R191 L236 S257 D261 F332	R191-D259 WeakPolarHBondContact CG-OD2 3.48Å; R191-D259 PolarHBondContact N-OD2 2.77Å; L236-D259 HydrophobicContact CD2-CB 4.1Å; S257-D259 VanDerWaalsContact C-N 3.3Å; S257-D259 WeakPolarHBondContact CB-OD1 3.01Å; S257-D259 PolarHBondContact O-N 3.38Å; S257-D259 PolarHBondContact OG-OD1 3.08Å; D259-D261 HydrophobicContact CB-CB 4.27Å; D259-D261 PolarHBondContact O-N 3.3Å; D259-D261 VanDerWaalsContact O-N 3.1Å; D259-D261 WeakPolarHBondContact OD2-CB 3.42Å; D259-D261 PolarHBondContact OD2-N 2.72Å; D259-F332 HydrophobicContact CB-CD1 4.33Å; D259-F332 HydrophobicContact CB-CE1 4.02Å; D259-F332 WeakPolarHBondContact O-CE1 3.11Å
260	F	98.1	Very high	96.2	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.168	C	C	.	.			trans	50	29.2	-172.6	-62.2	-76.9	0	0	0	114.2	K189 I256 Q258 S262 L265 W271 F274 T275 H312 L328	K189-F260 CarbonylContact O-C 3.57Å; K189-F260 WeakPolarHBondContact O-CA 3.45Å; I256-F260 HydrophobicContact CD1-CD1 4.31Å; I256-F260 HydrophobicContact CD1-CE1 3.87Å; Q258-F260 VanDerWaalsContact C-N 3.31Å; Q258-F260 HydrophobicContact CB-CE2 4.45Å; Q258-F260 VanDerWaalsContact O-CD2 3.23Å; Q258-F260 WeakPolarHBondContact O-CD2 3.38Å; F260-S262 PolarHBondContact O-N 3.42Å; F260-L265 HydrophobicContact CB-CD2 4.12Å; F260-W271 HydrophobicContact CB-CE3 4.43Å; F260-W271 HydrophobicContact CB-CZ3 3.64Å; F260-W271 HydrophobicContact CD1-CZ3 4.23Å; F260-W271 AromaticContact CD2-CH2 3.96Å; F260-W271 HydrophobicContact CD2-CH2 3.96Å; F260-W271 AromaticContact CD2-CZ3 3.6Å; F260-W271 HydrophobicContact CD2-CZ3 3.6Å; F260-W271 HydrophobicContact CE2-CH2 4.49Å; F260-W271 HydrophobicContact CE2-CZ3 4.29Å; F260-W271 HydrophobicContact CG-CE3 4.28Å; F260-W271 HydrophobicContact CG-CH2 4.38Å; F260-W271 AromaticContact CG-CZ3 3.56Å; F260-W271 HydrophobicContact CG-CZ3 3.56Å; F260-F274 HydrophobicContact CE1-CB 3.56Å; F260-F274 HydrophobicContact CE1-CG 4.08Å; F260-F274 HydrophobicContact CZ-CB 3.82Å; F260-T275 HydrophobicContact CE1-CG2 4.43Å; F260-T275 HydrophobicContact CE2-CG2 3.81Å; F260-T275 HydrophobicContact CZ-CG2 3.75Å; F260-H312 AromaticContact CD2-CE1 3.62Å; F260-H312 AromaticContact CD2-ND1 3.86Å; F260-H312 AromaticContact CE2-CE1 3.81Å; F260-H312 AromaticContact CE2-ND1 3.86Å; F260-L328 HydrophobicContact CB-CD1 4.07Å
261	D	96.6	Very high	96.8	Very high	60 Å²	60	33.3 Å²	33.3	32%	0.321	17%	0.167	S	C	.	.			trans	-85.5	87.1	177.6	-173.8	15.4	0	0	0	109.6	R191 D259 F332	R191-D261 HydrophobicContact CG-CB 4.06Å; R191-D261 IonicContact CZ-OD2 2.74Å; R191-D261 PolarHBondContact N-O 3.03Å; R191-D261 IonicContact NE-OD2 3.64Å; R191-D261 PolarHBondContact NE-OD2 3.07Å; R191-D261 IonicContact NH2-OD2 2.72Å; R191-D261 PolarHBondContact NH2-OD2 3.29Å; D259-D261 HydrophobicContact CB-CB 4.27Å; D259-D261 PolarHBondContact O-N 3.3Å; D259-D261 VanDerWaalsContact O-N 3.1Å; D259-D261 WeakPolarHBondContact OD2-CB 3.42Å; D259-D261 PolarHBondContact OD2-N 2.72Å; D261-F332 HydrophobicContact CB-CE1 4.22Å; D261-F332 HydrophobicContact CB-CE2 4.09Å; D261-F332 HydrophobicContact CB-CZ 3.52Å
262	S	97.2	Very high	97	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.021	17%	0.166	C	C	.	.			trans	-150.3	141.8	178.7	166.4	0	0	0	0	113	P188 F260 C264 L265 K325	P188-S262 VanDerWaalsContact O-CB 3.32Å; P188-S262 WeakPolarHBondContact O-CB 3.37Å; P188-S262 PolarHBondContact O-OG 3.43Å; F260-S262 PolarHBondContact O-N 3.42Å; S262-C264 PolarHBondContact O-N 2.95Å; S262-C264 PolarHBondContact OG-N 3.36Å; S262-L265 PolarHBondContact O-N 3.17Å; S262-K325 WeakPolarHBondContact O-CE 3.26Å; S262-K325 PolarHBondContact O-NZ 3.1Å
263	P	94	Very high	97.1	Very high	107 Å²	107	33.3 Å²	33.3	70%	0.695	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	170.1	27.9	-35.1	0	0	0	113.4	K266	P263-K266 WeakPolarHBondContact O-CE 3.48Å
264	C	97.2	Very high	97.1	Very high	26 Å²	26	33.5 Å²	33.5	18%	0.176	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.2	179.6	-63.6	0	0	0	0	113.8	P188 S262 K266 H270	P188-C264 VanDerWaalsContact O-CB 3.25Å; P188-C264 WeakPolarHBondContact O-CB 3.36Å; S262-C264 PolarHBondContact O-N 2.95Å; S262-C264 PolarHBondContact OG-N 3.36Å; C264-K266 PolarHBondContact O-N 2.55Å; C264-H270 PolarHBondContact O-ND1 2.93Å
265	L	96.9	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.177	C	C	.	.			trans	-76.2	97.8	164.4	-171.7	75.8	0	0	0	109.3	K189 F260 S262 H270 W271 K325	K189-L265 HydrophobicContact CB-CD1 4.42Å; K189-L265 HydrophobicContact CD-CD1 4.49Å; F260-L265 HydrophobicContact CB-CD2 4.12Å; S262-L265 PolarHBondContact O-N 3.17Å; L265-H270 HydrophobicContact CD1-CB 3.77Å; L265-W271 HydrophobicContact CD1-CE3 4.37Å; L265-W271 HydrophobicContact CD2-CE3 3.96Å; L265-W271 HydrophobicContact CD2-CZ3 4.29Å; L265-K325 HydrophobicContact CD2-CG 4.3Å; L265-K325 PolarHBondContact O-NZ 3.19Å
266	K	93.5	Very high	97	Very high	150 Å²	150	36.1 Å²	36.1	65%	0.652	19%	0.185	S	C	*	.			trans	-118	-23.5	-165.5	-70	-177.4	178.1	-178.3	0	115	P263 C264 H270	P263-K266 WeakPolarHBondContact O-CE 3.48Å; C264-K266 PolarHBondContact O-N 2.55Å; K266-H270 PolarHBondContact N-ND1 3.23Å
267	N	95.9	Very high	96.8	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	21%	0.211	S	C	.	.	S	Bend	trans	-147.5	164.2	-171.4	61	58.3	0	0	0	111.3	K269 H270 W271	N267-K269 VanDerWaalsContact C-N 3.25Å; N267-K269 PolarHBondContact O-N 2.58Å; N267-K269 WeakPolarHBondContact OD1-CB 3.34Å; N267-K269 PolarHBondContact OD1-N 3.45Å; N267-H270 PolarHBondContact ND2-CD2 3.01Å; N267-H270 PolarHBondContact ND2-CE1 3.4Å; N267-H270 VanDerWaalsContact ND2-CE1 3.29Å; N267-H270 PolarHBondContact ND2-NE2 2.77Å; N267-H270 WeakPolarHBondContact O-CB 3.22Å; N267-H270 PolarHBondContact O-N 3.26Å; N267-H270 VanDerWaalsContact O-N 3.09Å; N267-H270 PolarHBondContact OD1-CD2 3.29Å; N267-H270 PolarHBondContact OD1-N 2.95Å; N267-W271 PolarHBondContact O-N 2.94Å
268	K	95.9	Very high	96.7	Very high	81 Å²	81	42.1 Å²	42.1	35%	0.352	21%	0.213	S	C	.	.	H	α-helix	trans	-56.6	-37.1	179.1	175.3	-173.2	-80.5	-161.9	0	113.3	H270 W271 N272 K306 L307 L309	K268-H270 VanDerWaalsContact C-N 3.34Å; K268-H270 PolarHBondContact O-N 3.4Å; K268-W271 PolarHBondContact O-N 3.4Å; K268-W271 VanDerWaalsContact O-N 3.16Å; K268-N272 WeakPolarHBondContact CG-ND2 3.33Å; K268-N272 WeakPolarHBondContact O-CB 3.5Å; K268-N272 PolarHBondContact O-N 2.96Å; K268-K306 PolarHBondContact NZ-O 3.36Å; K268-L307 WeakPolarHBondContact CD-O 3.31Å; K268-L307 VanDerWaalsContact CE-O 3.22Å; K268-L307 WeakPolarHBondContact CE-O 3.5Å; K268-L307 PolarHBondContact NZ-O 3.19Å; K268-L309 HydrophobicContact CB-CD2 3.89Å; K268-L309 HydrophobicContact CG-CD2 3.8Å; K268-L309 HydrophobicContact CG-CG 4.43Å
269	K	95.9	Very high	96.7	Very high	100 Å²	100	41.1 Å²	41.1	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-43.9	176.4	-175.7	-176.2	174.8	-171.2	0	111.1	N267 W271 S273 L305	N267-K269 VanDerWaalsContact C-N 3.25Å; N267-K269 PolarHBondContact O-N 2.58Å; N267-K269 WeakPolarHBondContact OD1-CB 3.34Å; N267-K269 PolarHBondContact OD1-N 3.45Å; K269-W271 VanDerWaalsContact C-N 3.29Å; K269-W271 PolarHBondContact O-N 3.02Å; K269-S273 VanDerWaalsContact O-CB 3.22Å; K269-S273 WeakPolarHBondContact O-CB 3.42Å; K269-S273 PolarHBondContact O-N 3.22Å; K269-S273 PolarHBondContact O-OG 3.23Å; K269-L305 HydrophobicContact CD-CD1 4.34Å; K269-L305 HydrophobicContact CG-CB 4.36Å; K269-L305 HydrophobicContact CG-CD1 4.04Å; K269-L305 HydrophobicContact CG-CD2 4.11Å; K269-L305 HydrophobicContact CG-CG 4.41Å
270	H	97.3	Very high	96.7	Very high	51 Å²	51	41.8 Å²	41.8	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-36	176.7	-61.4	179.2	0	0	0	111.7	K189 C264 L265 K266 N267 K268 S273 F274	K189-H270 HydrophobicContact CD-CB 4.21Å; K189-H270 VanDerWaalsContact CE-ND1 3.3Å; K189-H270 WeakPolarHBondContact CE-ND1 3.45Å; C264-H270 PolarHBondContact O-ND1 2.93Å; L265-H270 HydrophobicContact CD1-CB 3.77Å; K266-H270 PolarHBondContact N-ND1 3.23Å; N267-H270 PolarHBondContact ND2-CD2 3.01Å; N267-H270 PolarHBondContact ND2-CE1 3.4Å; N267-H270 VanDerWaalsContact ND2-CE1 3.29Å; N267-H270 PolarHBondContact ND2-NE2 2.77Å; N267-H270 WeakPolarHBondContact O-CB 3.22Å; N267-H270 PolarHBondContact O-N 3.26Å; N267-H270 VanDerWaalsContact O-N 3.09Å; N267-H270 PolarHBondContact OD1-CD2 3.29Å; N267-H270 PolarHBondContact OD1-N 2.95Å; K268-H270 VanDerWaalsContact C-N 3.34Å; K268-H270 PolarHBondContact O-N 3.4Å; H270-S273 PolarHBondContact O-OG 2.92Å; H270-F274 VanDerWaalsContact O-CD2 3.26Å; H270-F274 WeakPolarHBondContact O-CD2 3.37Å
271	W	98.4	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-60.5	177.4	179.9	-111.4	0	0	0	111	F260 L265 N267 K268 K269 S273 F274 T275 L309 C310 H312 I321 L324 L328	F260-W271 HydrophobicContact CB-CE3 4.43Å; F260-W271 HydrophobicContact CB-CZ3 3.64Å; F260-W271 HydrophobicContact CD1-CZ3 4.23Å; F260-W271 AromaticContact CD2-CH2 3.96Å; F260-W271 HydrophobicContact CD2-CH2 3.96Å; F260-W271 AromaticContact CD2-CZ3 3.6Å; F260-W271 HydrophobicContact CD2-CZ3 3.6Å; F260-W271 HydrophobicContact CE2-CH2 4.49Å; F260-W271 HydrophobicContact CE2-CZ3 4.29Å; F260-W271 HydrophobicContact CG-CE3 4.28Å; F260-W271 HydrophobicContact CG-CH2 4.38Å; F260-W271 AromaticContact CG-CZ3 3.56Å; F260-W271 HydrophobicContact CG-CZ3 3.56Å; L265-W271 HydrophobicContact CD1-CE3 4.37Å; L265-W271 HydrophobicContact CD2-CE3 3.96Å; L265-W271 HydrophobicContact CD2-CZ3 4.29Å; N267-W271 PolarHBondContact O-N 2.94Å; K268-W271 PolarHBondContact O-N 3.4Å; K268-W271 VanDerWaalsContact O-N 3.16Å; K269-W271 VanDerWaalsContact C-N 3.29Å; K269-W271 PolarHBondContact O-N 3.02Å; W271-S273 PolarHBondContact O-N 3.4Å; W271-S273 VanDerWaalsContact O-N 3.09Å; W271-F274 PolarHBondContact O-N 2.96Å; W271-T275 HydrophobicContact CD2-CG2 3.89Å; W271-T275 HydrophobicContact CE3-CG2 4.02Å; W271-T275 HydrophobicContact CH2-CG2 3.95Å; W271-T275 HydrophobicContact CZ2-CG2 3.78Å; W271-T275 HydrophobicContact CZ3-CG2 4.06Å; W271-T275 PolarHBondContact NE1-OG1 2.94Å; W271-T275 PolarHBondContact O-N 3.34Å; W271-T275 VanDerWaalsContact O-N 3.14Å; W271-T275 PolarHBondContact O-OG1 2.95Å; W271-T275 VanDerWaalsContact O-OG1 3.1Å; W271-L309 HydrophobicContact CB-CD2 3.88Å; W271-L309 HydrophobicContact CG-CD2 3.91Å; W271-C310 WeakPolarHBondContact CZ2-O 3.26Å; W271-C310 PolarHBondContact NE1-O 3.31Å; W271-H312 AromaticContact CH2-ND1 3.37Å; W271-H312 WeakPolarHBondContact CH2-ND1 3.37Å; W271-H312 HydrophobicContact CZ2-CB 4.45Å; W271-H312 AromaticContact CZ2-ND1 3.86Å; W271-I321 HydrophobicContact CB-CD1 4.18Å; W271-L324 HydrophobicContact CB-CD2 4.42Å; W271-L324 HydrophobicContact CD2-CD2 3.42Å; W271-L324 VanDerWaalsContact CD2-CD2 3.42Å; W271-L324 HydrophobicContact CE3-CD2 3.76Å; W271-L324 HydrophobicContact CG-CD2 3.71Å; W271-L324 HydrophobicContact CH2-CD1 4.3Å; W271-L324 HydrophobicContact CH2-CD2 4.25Å; W271-L324 HydrophobicContact CZ2-CD1 3.93Å; W271-L324 HydrophobicContact CZ2-CD2 3.98Å; W271-L324 HydrophobicContact CZ2-CG 4.41Å; W271-L324 HydrophobicContact CZ3-CD2 4.15Å; W271-L328 HydrophobicContact CH2-CD1 3.74Å; W271-L328 HydrophobicContact CH2-CD2 3.67Å; W271-L328 HydrophobicContact CH2-CG 4.26Å; W271-L328 HydrophobicContact CZ3-CD1 3.62Å; W271-L328 HydrophobicContact CZ3-CD2 4.38Å
272	N	98	Very high	96.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.011	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-24.5	-174.2	-68.7	-6.2	0	0	0	112.6	K268 F274 T276 L304 L305 L307	K268-N272 WeakPolarHBondContact CG-ND2 3.33Å; K268-N272 WeakPolarHBondContact O-CB 3.5Å; K268-N272 PolarHBondContact O-N 2.96Å; N272-F274 PolarHBondContact O-N 3.18Å; N272-T276 HydrophobicContact CB-CG2 3.97Å; N272-T276 WeakPolarHBondContact O-CB 3.42Å; N272-T276 WeakPolarHBondContact O-CG2 3.28Å; N272-T276 PolarHBondContact O-N 3.36Å; N272-T276 PolarHBondContact O-OG1 3.18Å; N272-L304 WeakPolarHBondContact CB-O 3.46Å; N272-L304 PolarHBondContact ND2-O 3.35Å; N272-L305 HydrophobicContact CB-CD2 4.46Å; N272-L305 PolarHBondContact ND2-O 2.75Å; N272-L307 PolarHBondContact ND2-N 3.43Å; N272-L307 PolarHBondContact ND2-O 2.94Å
273	S	97.3	Very high	96.8	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-22.1	176.7	72.6	0	0	0	0	113.6	H243 K269 H270 W271 F279	H243-S273 PolarHBondContact CD2-O 3.3Å; H243-S273 WeakPolarHBondContact NE2-CB 3.42Å; H243-S273 PolarHBondContact NE2-O 3.18Å; H243-S273 PolarHBondContact NE2-OG 3.12Å; K269-S273 VanDerWaalsContact O-CB 3.22Å; K269-S273 WeakPolarHBondContact O-CB 3.42Å; K269-S273 PolarHBondContact O-N 3.22Å; K269-S273 PolarHBondContact O-OG 3.23Å; H270-S273 PolarHBondContact O-OG 2.92Å; W271-S273 PolarHBondContact O-N 3.4Å; W271-S273 VanDerWaalsContact O-N 3.09Å; S273-F279 WeakPolarHBondContact O-CB 3.28Å
274	F	98.1	Very high	96.9	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-108.8	-21.8	178	-67.8	-83.2	0	0	0	113.5	K189 H193 R239 H243 H254 I256 F260 H270 W271 N272 F279	K189-F274 HydrophobicContact CB-CD2 4.43Å; K189-F274 HydrophobicContact CB-CE2 4.1Å; K189-F274 HydrophobicContact CG-CD2 4.33Å; K189-F274 HydrophobicContact CG-CE2 3.63Å; K189-F274 HydrophobicContact CG-CZ 4.2Å; H193-F274 AromaticContact CE1-CZ 3.68Å; H193-F274 AromaticContact NE2-CE1 3.84Å; H193-F274 AromaticContact NE2-CZ 3.86Å; R239-F274 PolarHBondContact NH1-O 3.33Å; H243-F274 AromaticContact CE1-CE1 3.83Å; H243-F274 AromaticContact CE1-CE2 3.87Å; H243-F274 AromaticContact CE1-CZ 3.42Å; H243-F274 VanDerWaalsContact CE1-CZ 3.42Å; H243-F274 WeakPolarHBondContact CE1-CZ 3.42Å; H243-F274 AromaticContact NE2-CD1 3.97Å; H243-F274 AromaticContact NE2-CE1 3.63Å; H243-F274 AromaticContact NE2-CE2 3.65Å; H243-F274 AromaticContact NE2-CZ 3.47Å; H243-F274 WeakPolarHBondContact NE2-CZ 3.49Å; H254-F274 HydrophobicContact CB-CE1 4.24Å; H254-F274 AromaticContact CG-CE1 3.94Å; H254-F274 AromaticContact ND1-CE1 3.82Å; H254-F274 AromaticContact ND1-CZ 3.98Å; I256-F274 HydrophobicContact CD1-CD1 3.79Å; I256-F274 HydrophobicContact CD1-CE1 3.78Å; I256-F274 HydrophobicContact CD1-CG 4.17Å; I256-F274 HydrophobicContact CD1-CZ 4.18Å; I256-F274 HydrophobicContact CG2-CD1 4.09Å; I256-F274 HydrophobicContact CG2-CE1 4.4Å; F260-F274 HydrophobicContact CE1-CB 3.56Å; F260-F274 HydrophobicContact CE1-CG 4.08Å; F260-F274 HydrophobicContact CZ-CB 3.82Å; H270-F274 VanDerWaalsContact O-CD2 3.26Å; H270-F274 WeakPolarHBondContact O-CD2 3.37Å; W271-F274 PolarHBondContact O-N 2.96Å; N272-F274 PolarHBondContact O-N 3.18Å; F274-F279 AromaticContact CD1-CD2 3.56Å; F274-F279 HydrophobicContact CD1-CD2 3.56Å; F274-F279 AromaticContact CD1-CE2 3.46Å; F274-F279 HydrophobicContact CD1-CE2 3.46Å; F274-F279 VanDerWaalsContact CD1-CE2 3.46Å; F274-F279 HydrophobicContact CD1-CZ 4.33Å; F274-F279 HydrophobicContact CE1-CD2 4.12Å; F274-F279 AromaticContact CE1-CE2 3.72Å; F274-F279 HydrophobicContact CE1-CE2 3.72Å; F274-F279 HydrophobicContact CG-CD2 4.34Å
275	T	97.7	Very high	96.9	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-112.9	17.2	-171.4	66.9	0	0	0	0	114.1	F260 W271 H312	F260-T275 HydrophobicContact CE1-CG2 4.43Å; F260-T275 HydrophobicContact CE2-CG2 3.81Å; F260-T275 HydrophobicContact CZ-CG2 3.75Å; W271-T275 HydrophobicContact CD2-CG2 3.89Å; W271-T275 HydrophobicContact CE3-CG2 4.02Å; W271-T275 HydrophobicContact CH2-CG2 3.95Å; W271-T275 HydrophobicContact CZ2-CG2 3.78Å; W271-T275 HydrophobicContact CZ3-CG2 4.06Å; W271-T275 PolarHBondContact NE1-OG1 2.94Å; W271-T275 PolarHBondContact O-N 3.34Å; W271-T275 VanDerWaalsContact O-N 3.14Å; W271-T275 PolarHBondContact O-OG1 2.95Å; W271-T275 VanDerWaalsContact O-OG1 3.1Å; T275-H312 HydrophobicContact CG2-CB 4.1Å
276	T	96.9	Very high	97	Very high	28 Å²	28	43.1 Å²	43.1	17%	0.172	21%	0.211	C	C	.	.	S	Bend	trans	-133	178	174.3	70.9	0	0	0	0	109.5	N272 Y278 F279 L307	N272-T276 HydrophobicContact CB-CG2 3.97Å; N272-T276 WeakPolarHBondContact O-CB 3.42Å; N272-T276 WeakPolarHBondContact O-CG2 3.28Å; N272-T276 PolarHBondContact O-N 3.36Å; N272-T276 PolarHBondContact O-OG1 3.18Å; T276-Y278 PolarHBondContact O-N 2.67Å; T276-Y278 VanDerWaalsContact OG1-CB 3.28Å; T276-Y278 WeakPolarHBondContact OG1-CB 3.49Å; T276-Y278 PolarHBondContact OG1-N 2.76Å; T276-F279 PolarHBondContact O-N 3.45Å; T276-L307 HydrophobicContact CG2-CD1 4.11Å
277	E	95.4	Very high	97.2	Very high	118 Å²	118	41.3 Å²	41.3	55%	0.551	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-4.1	171.7	-58.8	-168.5	137.6	0	0	113.9	F279 K298 L304	E277-F279 PolarHBondContact O-N 3.03Å; E277-K298 IonicContact OE1-NZ 2.82Å; E277-K298 PolarHBondContact OE1-NZ 3.09Å; E277-K298 IonicContact OE2-NZ 3.29Å; E277-K298 PolarHBondContact OE2-NZ 3.11Å; E277-L304 HydrophobicContact CB-CD1 3.9Å
278	Y	95.9	Very high	97.2	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.4	167.8	-164.2	-87.7	0	0	0	112.2	H243 A244 I245 T276 S301 L305	H243-Y278 HydrophobicContact CB-CD1 4.31Å; H243-Y278 HydrophobicContact CB-CE1 3.83Å; H243-Y278 AromaticContact CD2-CD1 3.82Å; H243-Y278 AromaticContact CD2-CE1 3.9Å; A244-Y278 HydrophobicContact CB-CD2 4.29Å; A244-Y278 HydrophobicContact CB-CE2 4.49Å; A244-Y278 HydrophobicContact CB-CG 4.39Å; A244-Y278 WeakPolarHBondContact CB-O 3.22Å; A244-Y278 PolarHBondContact N-O 2.85Å; I245-Y278 HydrophobicContact CB-CE2 4.47Å; I245-Y278 WeakPolarHBondContact CB-OH 3.3Å; I245-Y278 PolarHBondContact O-OH 2.9Å; T276-Y278 PolarHBondContact O-N 2.67Å; T276-Y278 VanDerWaalsContact OG1-CB 3.28Å; T276-Y278 WeakPolarHBondContact OG1-CB 3.49Å; T276-Y278 PolarHBondContact OG1-N 2.76Å; Y278-S301 VanDerWaalsContact CD2-O 3.28Å; Y278-S301 WeakPolarHBondContact CD2-O 3.38Å; Y278-L305 HydrophobicContact CD1-CD2 3.92Å; Y278-L305 HydrophobicContact CD2-CD1 4.22Å; Y278-L305 HydrophobicContact CD2-CD2 3.76Å; Y278-L305 HydrophobicContact CD2-CG 3.78Å; Y278-L305 HydrophobicContact CE1-CD2 4.06Å; Y278-L305 HydrophobicContact CE2-CD1 3.58Å; Y278-L305 HydrophobicContact CE2-CD2 3.89Å; Y278-L305 HydrophobicContact CE2-CG 3.68Å; Y278-L305 HydrophobicContact CG-CD2 3.75Å; Y278-L305 HydrophobicContact CG-CG 4.3Å
279	F	97.6	Very high	97.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.8	171.7	-162	-94	0	0	0	109.1	R239 G241 Y242 H243 H254 I256 S273 F274 T276 E277	R239-F279 HydrophobicContact CB-CE1 4.29Å; G241-F279 VanDerWaalsContact C-CZ 3.44Å; G241-F279 VanDerWaalsContact CA-CE1 3.43Å; G241-F279 VanDerWaalsContact CA-CZ 3.43Å; Y242-F279 WeakPolarHBondContact O-CA 3.5Å; H243-F279 AromaticContact CD2-CD2 3.96Å; H254-F279 HydrophobicContact CB-CE2 3.77Å; H254-F279 HydrophobicContact CB-CZ 3.91Å; I256-F279 HydrophobicContact CG2-CZ 4.36Å; S273-F279 WeakPolarHBondContact O-CB 3.28Å; F274-F279 AromaticContact CD1-CD2 3.56Å; F274-F279 HydrophobicContact CD1-CD2 3.56Å; F274-F279 AromaticContact CD1-CE2 3.46Å; F274-F279 HydrophobicContact CD1-CE2 3.46Å; F274-F279 VanDerWaalsContact CD1-CE2 3.46Å; F274-F279 HydrophobicContact CD1-CZ 4.33Å; F274-F279 HydrophobicContact CE1-CD2 4.12Å; F274-F279 AromaticContact CE1-CE2 3.72Å; F274-F279 HydrophobicContact CE1-CE2 3.72Å; F274-F279 HydrophobicContact CG-CD2 4.34Å; T276-F279 PolarHBondContact O-N 3.45Å; E277-F279 PolarHBondContact O-N 3.03Å
280	I	97.3	Very high	97.1	Very high	24 Å²	24	36.6 Å²	36.6	12%	0.123	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	-179.2	-49.6	174.7	0	0	0	107.2	L205 G241 Y242 A244 D284 V285 M288 V297	L205-I280 HydrophobicContact CD1-CD1 4.14Å; G241-I280 CarbonylContact C-O 3.5Å; G241-I280 VanDerWaalsContact CA-O 3.22Å; G241-I280 WeakPolarHBondContact CA-O 3.41Å; Y242-I280 PolarHBondContact N-O 3.17Å; Y242-I280 PolarHBondContact O-N 2.96Å; A244-I280 HydrophobicContact CB-CD1 4.07Å; A244-I280 HydrophobicContact CB-CG1 4.41Å; I280-D284 HydrophobicContact CG2-CB 4.16Å; I280-V285 HydrophobicContact CB-CG2 4.15Å; I280-V285 HydrophobicContact CG2-CG2 3.59Å; I280-M288 HydrophobicContact CG2-CE 3.86Å; I280-V297 HydrophobicContact CD1-CG2 4.4Å
281	D	98.1	Very high	97.1	Very high	53 Å²	53	38.5 Å²	38.5	28%	0.283	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.8	-179.4	-69.3	-49.9	0	0	0	110.9	R239 D283 D284 V285	R239-D281 IonicContact CZ-OD1 2.81Å; R239-D281 VanDerWaalsContact CZ-OD1 3.29Å; R239-D281 IonicContact CZ-OD2 3.77Å; R239-D281 IonicContact NE-OD1 2.75Å; R239-D281 PolarHBondContact NE-OD1 3.3Å; R239-D281 IonicContact NE-OD2 3.25Å; R239-D281 IonicContact NH2-OD1 2.99Å; R239-D281 PolarHBondContact NH2-OD1 3.26Å; R239-D281 IonicContact NH2-OD2 2.98Å; R239-D281 PolarHBondContact NH2-OD2 2.95Å; D281-D283 VanDerWaalsContact C-N 3.29Å; D281-D283 PolarHBondContact O-N 2.81Å; D281-D284 PolarHBondContact O-N 3.18Å; D281-V285 PolarHBondContact O-N 3.2Å
282	S	98.2	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-41.7	-173.5	-168.5	0	0	0	0	112.4	Q220 S240 D284 V285 I286	Q220-S282 PolarHBondContact OE1-OG 3.2Å; S240-S282 PolarHBondContact O-N 2.97Å; S282-D284 VanDerWaalsContact C-N 3.33Å; S282-D284 PolarHBondContact O-N 2.69Å; S282-V285 WeakPolarHBondContact O-CB 3.42Å; S282-V285 PolarHBondContact O-N 3.46Å; S282-V285 VanDerWaalsContact O-N 3.17Å; S282-I286 WeakPolarHBondContact O-CG1 3.35Å; S282-I286 PolarHBondContact O-N 3.1Å
283	D	97.5	Very high	96.7	Very high	86 Å²	86	42.9 Å²	42.9	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-37.7	179.7	-65.3	-28.9	0	0	0	112	D281 V285 I286 Q287	D281-D283 VanDerWaalsContact C-N 3.29Å; D281-D283 PolarHBondContact O-N 2.81Å; D283-V285 VanDerWaalsContact C-N 3.33Å; D283-V285 PolarHBondContact O-N 2.8Å; D283-I286 PolarHBondContact O-N 3.28Å; D283-Q287 WeakPolarHBondContact O-CB 3.42Å; D283-Q287 VanDerWaalsContact O-CG 3.25Å; D283-Q287 WeakPolarHBondContact O-CG 3.45Å; D283-Q287 PolarHBondContact O-N 3.27Å
284	D	97.1	Very high	96.5	Very high	74 Å²	74	48.2 Å²	48.2	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-39.5	175.4	-66.4	-22.6	0	0	0	111.1	I280 D281 S282 Q287 M288	I280-D284 HydrophobicContact CG2-CB 4.16Å; D281-D284 PolarHBondContact O-N 3.18Å; S282-D284 VanDerWaalsContact C-N 3.33Å; S282-D284 PolarHBondContact O-N 2.69Å; D284-Q287 PolarHBondContact O-N 2.99Å; D284-M288 HydrophobicContact CB-CE 4.47Å; D284-M288 WeakPolarHBondContact O-CB 3.34Å; D284-M288 WeakPolarHBondContact O-CE 3.15Å; D284-M288 VanDerWaalsContact O-CG 3.28Å; D284-M288 WeakPolarHBondContact O-CG 3.49Å; D284-M288 PolarHBondContact O-N 2.86Å
285	V	97.2	Very high	96.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-43.3	175.6	177.4	0	0	0	0	111.3	L205 L208 L216 Y242 I280 D281 S282 D283 M288 L289 V295	L205-V285 HydrophobicContact CD2-CG1 4.12Å; L205-V285 HydrophobicContact CD2-CG2 4.45Å; L208-V285 HydrophobicContact CD1-CG1 3.96Å; L216-V285 HydrophobicContact CD1-CG1 4.01Å; Y242-V285 HydrophobicContact CD2-CB 4.19Å; Y242-V285 HydrophobicContact CD2-CG1 4.42Å; Y242-V285 HydrophobicContact CD2-CG2 3.71Å; Y242-V285 HydrophobicContact CE2-CB 4.21Å; Y242-V285 HydrophobicContact CE2-CG1 4.32Å; Y242-V285 HydrophobicContact CE2-CG2 4.24Å; I280-V285 HydrophobicContact CB-CG2 4.15Å; I280-V285 HydrophobicContact CG2-CG2 3.59Å; D281-V285 PolarHBondContact O-N 3.2Å; S282-V285 WeakPolarHBondContact O-CB 3.42Å; S282-V285 PolarHBondContact O-N 3.46Å; S282-V285 VanDerWaalsContact O-N 3.17Å; D283-V285 VanDerWaalsContact C-N 3.33Å; D283-V285 PolarHBondContact O-N 2.8Å; V285-M288 HydrophobicContact CG2-CE 4.2Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 3.17Å; V285-L289 VanDerWaalsContact O-N 3.11Å; V285-V295 HydrophobicContact CG1-CG1 4.43Å; V285-V295 HydrophobicContact CG1-CG2 3.77Å
286	I	97.7	Very high	95.9	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.067	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-49.3	176.7	-67.8	162.5	0	0	0	109.9	L216 R217 Q220 S282 D283 M288 L289 E290	L216-I286 HydrophobicContact CB-CD1 4.27Å; L216-I286 HydrophobicContact CB-CG1 3.73Å; L216-I286 HydrophobicContact CD1-CG1 4.36Å; R217-I286 HydrophobicContact CG-CD1 4.22Å; R217-I286 HydrophobicContact CG-CG2 4.09Å; Q220-I286 HydrophobicContact CB-CD1 4.29Å; S282-I286 WeakPolarHBondContact O-CG1 3.35Å; S282-I286 PolarHBondContact O-N 3.1Å; D283-I286 PolarHBondContact O-N 3.28Å; I286-M288 PolarHBondContact O-N 2.8Å; I286-L289 WeakPolarHBondContact O-CB 3.46Å; I286-L289 PolarHBondContact O-N 2.88Å; I286-L289 VanDerWaalsContact O-N 3.14Å; I286-E290 HydrophobicContact CG2-CG 4.33Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.23Å; I286-E290 WeakPolarHBondContact O-CG 3.43Å; I286-E290 PolarHBondContact O-N 3.16Å
287	Q	97	Very high	95.4	Very high	113 Å²	113	51 Å²	51	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-43.9	179	-73.7	173.3	50.7	0	0	112.4	D283 D284 L289 E290 A291	D283-Q287 WeakPolarHBondContact O-CB 3.42Å; D283-Q287 VanDerWaalsContact O-CG 3.25Å; D283-Q287 WeakPolarHBondContact O-CG 3.45Å; D283-Q287 PolarHBondContact O-N 3.27Å; D284-Q287 PolarHBondContact O-N 2.99Å; Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 3.45Å; Q287-E290 PolarHBondContact O-N 3.23Å; Q287-A291 VanDerWaalsContact O-CB 3.28Å; Q287-A291 WeakPolarHBondContact O-CB 3.43Å; Q287-A291 PolarHBondContact O-N 3.45Å
288	M	95.9	Very high	94.9	Very high	46 Å²	46	51.8 Å²	51.8	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-40.9	175.9	-78.5	-172.6	-76.7	0	0	112	I280 D284 V285 I286 S292 V295	I280-M288 HydrophobicContact CG2-CE 3.86Å; D284-M288 HydrophobicContact CB-CE 4.47Å; D284-M288 WeakPolarHBondContact O-CB 3.34Å; D284-M288 WeakPolarHBondContact O-CE 3.15Å; D284-M288 VanDerWaalsContact O-CG 3.28Å; D284-M288 WeakPolarHBondContact O-CG 3.49Å; D284-M288 PolarHBondContact O-N 2.86Å; V285-M288 HydrophobicContact CG2-CE 4.2Å; I286-M288 PolarHBondContact O-N 2.8Å; M288-S292 PolarHBondContact O-N 3.09Å; M288-S292 PolarHBondContact O-OG 3.01Å; M288-V295 HydrophobicContact CE-CG1 3.98Å; M288-V295 HydrophobicContact SD-CG1 4.47Å
289	L	95.8	Very high	94.3	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-40.3	-179.1	-164.7	63.4	0	0	0	111.9	L208 R209 H212 C213 L216 V285 I286 Q287 G293 V295	L208-L289 HydrophobicContact CB-CD1 4.02Å; L208-L289 HydrophobicContact CB-CD2 4.29Å; R209-L289 WeakPolarHBondContact O-CD2 3.39Å; H212-L289 HydrophobicContact CB-CD2 4.3Å; C213-L289 VanDerWaalsContact SG-CD2 3.59Å; C213-L289 VanDerWaalsContact SG-CG 3.58Å; L216-L289 HydrophobicContact CD1-CD2 3.63Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 3.17Å; V285-L289 VanDerWaalsContact O-N 3.11Å; I286-L289 WeakPolarHBondContact O-CB 3.46Å; I286-L289 PolarHBondContact O-N 2.88Å; I286-L289 VanDerWaalsContact O-N 3.14Å; Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 3.45Å; L289-G293 WeakPolarHBondContact O-CA 3.45Å; L289-G293 PolarHBondContact O-N 3.3Å; L289-V295 HydrophobicContact CD1-CG2 4.26Å
290	E	95.5	Very high	93.8	Very high	97 Å²	97	62.7 Å²	62.7	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-43.1	175.2	-71.6	173.6	170.2	0	0	112.1	R217 I286 Q287	R217-E290 IonicContact CZ-OE1 3.92Å; R217-E290 IonicContact NE-OE1 3.86Å; R217-E290 PolarHBondContact NE-OE1 3.2Å; R217-E290 IonicContact NH2-OE1 3.19Å; R217-E290 PolarHBondContact NH2-OE1 2.81Å; I286-E290 HydrophobicContact CG2-CG 4.33Å; I286-E290 WeakPolarHBondContact CG2-OE1 3.23Å; I286-E290 WeakPolarHBondContact O-CG 3.43Å; I286-E290 PolarHBondContact O-N 3.16Å; Q287-E290 PolarHBondContact O-N 3.23Å
291	A	95.9	Very high	93.3	Very high	92 Å²	92	61.9 Å²	61.9	76%	0.76	35%	0.346	S	S	*	.	H	α-helix	trans	-75	-35.6	-176.6	0	0	0	0	0	113.3	Q287	Q287-A291 VanDerWaalsContact O-CB 3.28Å; Q287-A291 WeakPolarHBondContact O-CB 3.43Å; Q287-A291 PolarHBondContact O-N 3.45Å
292	S	94.3	Very high	92.9	Very high	63 Å²	63	61.9 Å²	61.9	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-128.6	-3.5	-168.4	76.7	0	0	0	0	115.3	M288 K294	M288-S292 PolarHBondContact O-N 3.09Å; M288-S292 PolarHBondContact O-OG 3.01Å; S292-K294 PolarHBondContact O-N 3.1Å; S292-K294 PolarHBondContact OG-O 3.14Å
293	G	93.6	Very high	92.6	Very high	31 Å²	31	66.5 Å²	66.5	32%	0.32	37%	0.371	S	S	.	.	S	Bend	trans	71.3	2.5	-178.3	0	0	0	0	0	114.8	L289	L289-G293 WeakPolarHBondContact O-CA 3.45Å; L289-G293 PolarHBondContact O-N 3.3Å
294	K	93.4	Very high	92.4	Very high	121 Å²	121	64.2 Å²	64.2	53%	0.526	36%	0.359	S	S	.	.	S	Bend	trans	-148.5	157.5	179.8	63.5	-175.1	177	-176.3	0	111.3	S292	S292-K294 PolarHBondContact O-N 3.1Å; S292-K294 PolarHBondContact OG-O 3.14Å
295	V	93.3	Very high	92.3	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	35%	0.345	C	S	.	.			trans	-96.9	124.1	172.1	-177.9	0	0	0	0	109.2	L205 L208 V285 M288 L289	L205-V295 HydrophobicContact CB-CG1 4.18Å; L208-V295 HydrophobicContact CB-CG2 4.04Å; L208-V295 HydrophobicContact CD1-CG2 3.74Å; V285-V295 HydrophobicContact CG1-CG1 4.43Å; V285-V295 HydrophobicContact CG1-CG2 3.77Å; M288-V295 HydrophobicContact CE-CG1 3.98Å; M288-V295 HydrophobicContact SD-CG1 4.47Å; L289-V295 HydrophobicContact CD1-CG2 4.26Å
296	T	89.8	Confident	92.1	Very high	83 Å²	83	67.9 Å²	67.9	51%	0.509	37%	0.372	S	S	.	.			trans	-96.4	132.8	173.5	48.4	0	0	0	0	109.7
297	V	86.7	Confident	92	Very high	30 Å²	30	70.9 Å²	70.9	18%	0.182	39%	0.388	C	S	.	.			trans	-113.7	125.6	174.8	178.1	0	0	0	0	107.1	L205 A244 I280 E299	L205-V297 HydrophobicContact CD1-CG2 4.46Å; A244-V297 HydrophobicContact CB-CG1 3.74Å; I280-V297 HydrophobicContact CD1-CG2 4.4Å; V297-E299 PolarHBondContact O-N 3Å
298	K	85.3	Confident	92.1	Very high	135 Å²	135	68.6 Å²	68.6	59%	0.587	38%	0.383	S	S	*	.			trans	-55.8	134.2	-178.1	-63	-176.4	-171.6	175.2	0	110.6	E277 S301	E277-K298 IonicContact OE1-NZ 2.82Å; E277-K298 PolarHBondContact OE1-NZ 3.09Å; E277-K298 IonicContact OE2-NZ 3.29Å; E277-K298 PolarHBondContact OE2-NZ 3.11Å; K298-S301 PolarHBondContact O-N 3.06Å; K298-S301 PolarHBondContact O-OG 3.23Å
299	E	84.4	Confident	92.2	Very high	197 Å²	197	66.7 Å²	66.7	92%	0.921	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	146.8	172.1	-67.4	-168.9	166.8	0	0	110.4	V297 S301	V297-E299 PolarHBondContact O-N 3Å; E299-S301 VanDerWaalsContact C-N 3.26Å; E299-S301 PolarHBondContact O-N 3.31Å
300	G	85.4	Confident	92.3	Very high	46 Å²	46	68.9 Å²	68.9	47%	0.474	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	8.7	-178	0	0	0	0	0	115.3	S302 E303	G300-S302 PolarHBondContact O-N 3.16Å; G300-E303 WeakPolarHBondContact O-CB 3.44Å; G300-E303 PolarHBondContact O-N 3.38Å
301	S	88.4	Confident	92.4	Very high	8 Å²	8	64.3 Å²	64.3	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-49.9	-29.7	176.1	-69.3	0	0	0	0	113.5	Y278 K298 E299 E303 L304	Y278-S301 VanDerWaalsContact CD2-O 3.28Å; Y278-S301 WeakPolarHBondContact CD2-O 3.38Å; K298-S301 PolarHBondContact O-N 3.06Å; K298-S301 PolarHBondContact O-OG 3.23Å; E299-S301 VanDerWaalsContact C-N 3.26Å; E299-S301 PolarHBondContact O-N 3.31Å; S301-E303 PolarHBondContact O-N 2.91Å; S301-L304 VanDerWaalsContact O-CB 3.3Å; S301-L304 WeakPolarHBondContact O-CB 3.46Å; S301-L304 WeakPolarHBondContact O-CG 3.41Å; S301-L304 PolarHBondContact O-N 3.21Å
302	S	89.3	Confident	92.4	Very high	53 Å²	53	62.5 Å²	62.5	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-25.7	174.9	53.4	0	0	0	0	114.6	G300 L304 L305	G300-S302 PolarHBondContact O-N 3.16Å; S302-L304 VanDerWaalsContact C-N 3.32Å; S302-L305 WeakPolarHBondContact O-CB 3.35Å; S302-L305 PolarHBondContact O-N 3.4Å
303	E	92.3	Very high	92.6	Very high	97 Å²	97	63 Å²	63	45%	0.453	34%	0.343	S	S	.	.	H	α-helix	trans	-71.9	-27.8	178.5	-59.6	-51.1	118.8	0	0	112	G300 S301 L305 K306	G300-E303 WeakPolarHBondContact O-CB 3.44Å; G300-E303 PolarHBondContact O-N 3.38Å; S301-E303 PolarHBondContact O-N 2.91Å; E303-L305 PolarHBondContact O-N 2.64Å; E303-L305 VanDerWaalsContact O-N 3.16Å; E303-K306 WeakPolarHBondContact O-CB 3.47Å; E303-K306 PolarHBondContact O-N 2.74Å; E303-K306 IonicContact OE1-NZ 2.98Å; E303-K306 PolarHBondContact OE1-NZ 2.86Å; E303-K306 WeakPolarHBondContact OE2-CD 3.3Å; E303-K306 WeakPolarHBondContact OE2-CE 3.33Å; E303-K306 IonicContact OE2-NZ 3.8Å; E303-K306 PolarHBondContact OE2-NZ 3.18Å
304	L	93.1	Very high	92.7	Very high	37 Å²	37	64.2 Å²	64.2	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-31.6	174.4	-59.1	174.5	0	0	0	111.6	N272 E277 S301 S302 K306 L307	N272-L304 WeakPolarHBondContact CB-O 3.46Å; N272-L304 PolarHBondContact ND2-O 3.35Å; E277-L304 HydrophobicContact CB-CD1 3.9Å; S301-L304 VanDerWaalsContact O-CB 3.3Å; S301-L304 WeakPolarHBondContact O-CB 3.46Å; S301-L304 WeakPolarHBondContact O-CG 3.41Å; S301-L304 PolarHBondContact O-N 3.21Å; S302-L304 VanDerWaalsContact C-N 3.32Å; L304-K306 PolarHBondContact O-N 2.84Å; L304-L307 HydrophobicContact CB-CD1 4.38Å; L304-L307 HydrophobicContact CD2-CD1 3.93Å; L304-L307 WeakPolarHBondContact O-CB 3.39Å; L304-L307 WeakPolarHBondContact O-CG 3.33Å; L304-L307 PolarHBondContact O-N 3.25Å
305	L	93.8	Very high	92.9	Very high	22 Å²	22	65.1 Å²	65.1	12%	0.115	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.4	177.5	-59.2	175.5	0	0	0	113.7	K269 N272 Y278 S302 E303	K269-L305 HydrophobicContact CD-CD1 4.34Å; K269-L305 HydrophobicContact CG-CB 4.36Å; K269-L305 HydrophobicContact CG-CD1 4.04Å; K269-L305 HydrophobicContact CG-CD2 4.11Å; K269-L305 HydrophobicContact CG-CG 4.41Å; N272-L305 HydrophobicContact CB-CD2 4.46Å; N272-L305 PolarHBondContact ND2-O 2.75Å; Y278-L305 HydrophobicContact CD1-CD2 3.92Å; Y278-L305 HydrophobicContact CD2-CD1 4.22Å; Y278-L305 HydrophobicContact CD2-CD2 3.76Å; Y278-L305 HydrophobicContact CD2-CG 3.78Å; Y278-L305 HydrophobicContact CE1-CD2 4.06Å; Y278-L305 HydrophobicContact CE2-CD1 3.58Å; Y278-L305 HydrophobicContact CE2-CD2 3.89Å; Y278-L305 HydrophobicContact CE2-CG 3.68Å; Y278-L305 HydrophobicContact CG-CD2 3.75Å; Y278-L305 HydrophobicContact CG-CG 4.3Å; S302-L305 WeakPolarHBondContact O-CB 3.35Å; S302-L305 PolarHBondContact O-N 3.4Å; E303-L305 PolarHBondContact O-N 2.64Å; E303-L305 VanDerWaalsContact O-N 3.16Å
306	K	94.3	Very high	93.1	Very high	129 Å²	129	70.3 Å²	70.3	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.3	-178.9	-57.9	178.1	-166.8	160.2	0	113.2	K268 E303 L304	K268-K306 PolarHBondContact NZ-O 3.36Å; E303-K306 WeakPolarHBondContact O-CB 3.47Å; E303-K306 PolarHBondContact O-N 2.74Å; E303-K306 IonicContact OE1-NZ 2.98Å; E303-K306 PolarHBondContact OE1-NZ 2.86Å; E303-K306 WeakPolarHBondContact OE2-CD 3.3Å; E303-K306 WeakPolarHBondContact OE2-CE 3.33Å; E303-K306 IonicContact OE2-NZ 3.8Å; E303-K306 PolarHBondContact OE2-NZ 3.18Å; L304-K306 PolarHBondContact O-N 2.84Å
307	L	95.6	Very high	93.5	Very high	77 Å²	77	72.7 Å²	72.7	40%	0.403	38%	0.379	S	S	.	.	S	Bend	trans	-50.8	153	-179.6	-67.7	175.6	0	0	0	112.8	K268 N272 T276 L304	K268-L307 WeakPolarHBondContact CD-O 3.31Å; K268-L307 VanDerWaalsContact CE-O 3.22Å; K268-L307 WeakPolarHBondContact CE-O 3.5Å; K268-L307 PolarHBondContact NZ-O 3.19Å; N272-L307 PolarHBondContact ND2-N 3.43Å; N272-L307 PolarHBondContact ND2-O 2.94Å; T276-L307 HydrophobicContact CG2-CD1 4.11Å; L304-L307 HydrophobicContact CB-CD1 4.38Å; L304-L307 HydrophobicContact CD2-CD1 3.93Å; L304-L307 WeakPolarHBondContact O-CB 3.39Å; L304-L307 WeakPolarHBondContact O-CG 3.33Å; L304-L307 PolarHBondContact O-N 3.25Å
308	P	97.6	Very high	94	Very high	64 Å²	64	71.9 Å²	71.9	42%	0.416	37%	0.374	S	S	.	.			trans	-53.6	152.8	170.3	-23	33.9	0	0	0	112.1	C310 E317	P308-C310 PolarHBondContact O-N 3.18Å; P308-E317 HydrophobicContact CB-CG 3.97Å; P308-E317 WeakPolarHBondContact CB-OE1 3.26Å
309	L	98	Very high	94.6	Very high	6 Å²	6	71 Å²	71	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	111.2	178	-62.5	169.2	0	0	0	108.5	K268 W271 E317 L318 I321 L324	K268-L309 HydrophobicContact CB-CD2 3.89Å; K268-L309 HydrophobicContact CG-CD2 3.8Å; K268-L309 HydrophobicContact CG-CG 4.43Å; W271-L309 HydrophobicContact CB-CD2 3.88Å; W271-L309 HydrophobicContact CG-CD2 3.91Å; L309-E317 CarbonylContact O-C 3.46Å; L309-E317 WeakPolarHBondContact O-CA 3.43Å; L309-L318 HydrophobicContact CB-CB 4.48Å; L309-L318 WeakPolarHBondContact CB-O 3.22Å; L309-L318 PolarHBondContact O-N 3.3Å; L309-I321 HydrophobicContact CD1-CD1 3.88Å; L309-I321 HydrophobicContact CD1-CG1 4.08Å; L309-I321 HydrophobicContact CD2-CD1 3.72Å; L309-I321 HydrophobicContact CG-CD1 4.49Å; L309-L324 HydrophobicContact CB-CD2 4.4Å; L309-L324 HydrophobicContact CD2-CD2 4.25Å
310	C	97.9	Very high	95.2	Very high	49 Å²	49	64.9 Å²	64.9	33%	0.331	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.9	177.8	-171.1	0	0	0	0	109.8	W271 P308 H312 H315 K316	W271-C310 WeakPolarHBondContact CZ2-O 3.26Å; W271-C310 PolarHBondContact NE1-O 3.31Å; P308-C310 PolarHBondContact O-N 3.18Å; C310-H312 PolarHBondContact O-N 2.87Å; C310-H315 WeakPolarHBondContact SG-CA 3.39Å; C310-H315 PolarHBondContact SG-O 3.26Å; C310-K316 WeakPolarHBondContact CA-O 3.5Å
311	C	98	Very high	95.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.34	C	S	.	.			trans	-63.7	129.5	174.9	-178	0	0	0	0	110.3	V313 H315 K316 L318 H327	C311-V313 PolarHBondContact O-N 3.21Å; C311-V313 PolarHBondContact SG-N 3.18Å; C311-H315 WeakPolarHBondContact O-CA 3.38Å; C311-H315 PolarHBondContact O-N 3.23Å; C311-K316 HydrophobicContact CB-CB 4.47Å; C311-K316 PolarHBondContact N-O 3.45Å; C311-L318 HydrophobicContact CB-CD2 4.32Å; C311-H327 PolarHBondContact SG-NE2 3.11Å
312	H	97.3	Very high	96.2	Very high	55 Å²	55	67.7 Å²	67.7	26%	0.255	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.6	-179	72.8	-82.1	0	0	0	113.4	Q258 F260 W271 T275 C310	Q258-H312 PolarHBondContact O-CE1 3.33Å; Q258-H312 PolarHBondContact O-NE2 2.92Å; Q258-H312 VanDerWaalsContact O-NE2 3.11Å; F260-H312 AromaticContact CD2-CE1 3.62Å; F260-H312 AromaticContact CD2-ND1 3.86Å; F260-H312 AromaticContact CE2-CE1 3.81Å; F260-H312 AromaticContact CE2-ND1 3.86Å; W271-H312 AromaticContact CH2-ND1 3.37Å; W271-H312 WeakPolarHBondContact CH2-ND1 3.37Å; W271-H312 HydrophobicContact CZ2-CB 4.45Å; W271-H312 AromaticContact CZ2-ND1 3.86Å; T275-H312 HydrophobicContact CG2-CB 4.1Å; C310-H312 PolarHBondContact O-N 2.87Å
313	V	96.6	Very high	96.6	Very high	72 Å²	72	66.9 Å²	66.9	44%	0.436	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-52.8	-179.8	-175.5	0	0	0	0	111.7	C311 H331	C311-V313 PolarHBondContact O-N 3.21Å; C311-V313 PolarHBondContact SG-N 3.18Å; V313-H331 HydrophobicContact CG2-CB 4.31Å
314	C	96.9	Very high	96.9	Very high	58 Å²	58	62.2 Å²	62.2	39%	0.392	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	4.5	-172.8	71	0	0	0	0	114.4	K316 H327	C314-K316 PolarHBondContact O-N 3.44Å; C314-H327 PolarHBondContact SG-NE2 3.12Å
315	H	96.9	Very high	97.1	Very high	139 Å²	139	63.1 Å²	63.1	64%	0.644	34%	0.341	S	S	*	.			trans	59.4	15.6	177.9	-50.5	-62.3	0	0	0	115.9	C310 C311 E317	C310-H315 WeakPolarHBondContact SG-CA 3.39Å; C310-H315 PolarHBondContact SG-O 3.26Å; C311-H315 WeakPolarHBondContact O-CA 3.38Å; C311-H315 PolarHBondContact O-N 3.23Å; H315-E317 PolarHBondContact O-N 2.98Å
316	K	97.6	Very high	97.3	Very high	120 Å²	120	67.6 Å²	67.6	52%	0.522	36%	0.362	S	S	.	.			trans	-64.7	133.4	171.3	-173.5	175.7	-178.9	175.2	0	109.8	C310 C311 C314 L318	C310-K316 WeakPolarHBondContact CA-O 3.5Å; C311-K316 HydrophobicContact CB-CB 4.47Å; C311-K316 PolarHBondContact N-O 3.45Å; C314-K316 PolarHBondContact O-N 3.44Å; K316-L318 HydrophobicContact CB-CD2 4.18Å; K316-L318 HydrophobicContact CD-CD1 4.41Å; K316-L318 HydrophobicContact CG-CD2 4.14Å; K316-L318 WeakPolarHBondContact O-CD2 3.17Å
317	E	97.9	Very high	97.5	Very high	132 Å²	132	62.9 Å²	62.9	62%	0.617	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.7	170.8	-169.2	175.6	143.3	0	0	111	P308 L309 H315	P308-E317 HydrophobicContact CB-CG 3.97Å; P308-E317 WeakPolarHBondContact CB-OE1 3.26Å; L309-E317 CarbonylContact O-C 3.46Å; L309-E317 WeakPolarHBondContact O-CA 3.43Å; H315-E317 PolarHBondContact O-N 2.98Å
318	L	98.1	Very high	97.6	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139	-179.3	-70.2	-55.4	0	0	0	110.1	L309 C311 K316 T320 L324 H327	L309-L318 HydrophobicContact CB-CB 4.48Å; L309-L318 WeakPolarHBondContact CB-O 3.22Å; L309-L318 PolarHBondContact O-N 3.3Å; C311-L318 HydrophobicContact CB-CD2 4.32Å; K316-L318 HydrophobicContact CB-CD2 4.18Å; K316-L318 HydrophobicContact CD-CD1 4.41Å; K316-L318 HydrophobicContact CG-CD2 4.14Å; K316-L318 WeakPolarHBondContact O-CD2 3.17Å; L318-T320 PolarHBondContact O-N 2.72Å; L318-L324 HydrophobicContact CB-CB 4.1Å; L318-L324 HydrophobicContact CB-CD1 4.41Å; L318-L324 HydrophobicContact CD2-CD1 3.94Å; L318-L324 HydrophobicContact CG-CB 4.25Å; L318-L324 HydrophobicContact CG-CD1 4.08Å; L318-H327 HydrophobicContact CD1-CB 4.2Å; L318-H327 HydrophobicContact CG-CB 4.38Å
319	P	96.5	Very high	97.6	Very high	116 Å²	116	61.4 Å²	61.4	75%	0.753	33%	0.325	S	S	*	.	S	Bend	trans	-75.1	-28.7	-174.9	28.5	-35.1	0	0	0	113.1	S323	P319-S323 WeakPolarHBondContact CD-OG 3.42Å
320	T	97.7	Very high	97.5	Very high	68 Å²	68	65.1 Å²	65.1	42%	0.417	35%	0.352	S	S	.	.	S	Bend	trans	-141.7	159.5	-172.5	74	0	0	0	0	112.9	L318 S323 L324	L318-T320 PolarHBondContact O-N 2.72Å; T320-S323 PolarHBondContact N-OG 3.38Å; T320-S323 VanDerWaalsContact N-OG 3.08Å; T320-S323 PolarHBondContact O-N 3Å; T320-S323 PolarHBondContact O-OG 3.39Å; T320-S323 PolarHBondContact OG1-N 3.37Å; T320-S323 PolarHBondContact OG1-OG 3.4Å; T320-L324 WeakPolarHBondContact O-CB 3.2Å; T320-L324 PolarHBondContact O-N 3.26Å
321	I	97.4	Very high	97.4	Very high	20 Å²	20	66 Å²	66	10%	0.103	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-45	174.1	-70	-68.8	0	0	0	112.2	W271 L309 S323 L324 K325	W271-I321 HydrophobicContact CB-CD1 4.18Å; L309-I321 HydrophobicContact CD1-CD1 3.88Å; L309-I321 HydrophobicContact CD1-CG1 4.08Å; L309-I321 HydrophobicContact CD2-CD1 3.72Å; L309-I321 HydrophobicContact CG-CD1 4.49Å; I321-S323 PolarHBondContact O-N 3.28Å; I321-L324 HydrophobicContact CD1-CD2 4.2Å; I321-L324 WeakPolarHBondContact O-CB 3.49Å; I321-L324 PolarHBondContact O-N 3.31Å; I321-K325 HydrophobicContact CG2-CD 3.87Å; I321-K325 HydrophobicContact CG2-CG 4.19Å; I321-K325 WeakPolarHBondContact O-CG 3.49Å; I321-K325 PolarHBondContact O-N 2.88Å
322	P	98.1	Very high	97.1	Very high	93 Å²	93	67.9 Å²	67.9	60%	0.604	36%	0.359	S	S	*	.	H	α-helix	trans	-56.3	-47	174.6	-28.6	36.5	0	0	0	113.3	L324 K325 E326	P322-L324 VanDerWaalsContact C-N 3.28Å; P322-L324 PolarHBondContact O-N 3.23Å; P322-K325 PolarHBondContact O-N 2.97Å; P322-E326 PolarHBondContact O-N 2.98Å
323	S	97.9	Very high	96.4	Very high	36 Å²	36	68.3 Å²	68.3	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-34.9	177.2	54	0	0	0	0	112.8	P319 T320 I321 H327	P319-S323 WeakPolarHBondContact CD-OG 3.42Å; T320-S323 PolarHBondContact N-OG 3.38Å; T320-S323 VanDerWaalsContact N-OG 3.08Å; T320-S323 PolarHBondContact O-N 3Å; T320-S323 PolarHBondContact O-OG 3.39Å; T320-S323 PolarHBondContact OG1-N 3.37Å; T320-S323 PolarHBondContact OG1-OG 3.4Å; I321-S323 PolarHBondContact O-N 3.28Å; S323-H327 VanDerWaalsContact O-CB 3.29Å; S323-H327 WeakPolarHBondContact O-CB 3.46Å; S323-H327 PolarHBondContact O-N 2.75Å
324	L	98.3	Very high	95	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-47.2	174.6	175.8	70.2	0	0	0	111.5	W271 L309 L318 T320 I321 P322 E326 H327 L328	W271-L324 HydrophobicContact CB-CD2 4.42Å; W271-L324 HydrophobicContact CD2-CD2 3.42Å; W271-L324 VanDerWaalsContact CD2-CD2 3.42Å; W271-L324 HydrophobicContact CE3-CD2 3.76Å; W271-L324 HydrophobicContact CG-CD2 3.71Å; W271-L324 HydrophobicContact CH2-CD1 4.3Å; W271-L324 HydrophobicContact CH2-CD2 4.25Å; W271-L324 HydrophobicContact CZ2-CD1 3.93Å; W271-L324 HydrophobicContact CZ2-CD2 3.98Å; W271-L324 HydrophobicContact CZ2-CG 4.41Å; W271-L324 HydrophobicContact CZ3-CD2 4.15Å; L309-L324 HydrophobicContact CB-CD2 4.4Å; L309-L324 HydrophobicContact CD2-CD2 4.25Å; L318-L324 HydrophobicContact CB-CB 4.1Å; L318-L324 HydrophobicContact CB-CD1 4.41Å; L318-L324 HydrophobicContact CD2-CD1 3.94Å; L318-L324 HydrophobicContact CG-CB 4.25Å; L318-L324 HydrophobicContact CG-CD1 4.08Å; T320-L324 WeakPolarHBondContact O-CB 3.2Å; T320-L324 PolarHBondContact O-N 3.26Å; I321-L324 HydrophobicContact CD1-CD2 4.2Å; I321-L324 WeakPolarHBondContact O-CB 3.49Å; I321-L324 PolarHBondContact O-N 3.31Å; P322-L324 VanDerWaalsContact C-N 3.28Å; P322-L324 PolarHBondContact O-N 3.23Å; L324-E326 VanDerWaalsContact C-N 3.29Å; L324-E326 PolarHBondContact O-N 3.26Å; L324-H327 CarbonylContact O-C 3.55Å; L324-H327 WeakPolarHBondContact O-CA 3.29Å; L324-H327 WeakPolarHBondContact O-CB 3.4Å; L324-H327 PolarHBondContact O-N 3.32Å; L324-H327 VanDerWaalsContact O-N 3.12Å; L324-L328 HydrophobicContact CD1-CG 4.4Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; L324-L328 HydrophobicContact CG-CG 4.44Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.5Å; L324-L328 PolarHBondContact O-N 2.81Å
325	K	97.8	Very high	94.9	Very high	56 Å²	56	81 Å²	81	24%	0.243	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-39.8	178.9	-69.4	179.7	74.8	166	0	111.9	S262 L265 I321 P322 L328	S262-K325 WeakPolarHBondContact O-CE 3.26Å; S262-K325 PolarHBondContact O-NZ 3.1Å; L265-K325 HydrophobicContact CD2-CG 4.3Å; L265-K325 PolarHBondContact O-NZ 3.19Å; I321-K325 HydrophobicContact CG2-CD 3.87Å; I321-K325 HydrophobicContact CG2-CG 4.19Å; I321-K325 WeakPolarHBondContact O-CG 3.49Å; I321-K325 PolarHBondContact O-N 2.88Å; P322-K325 PolarHBondContact O-N 2.97Å; K325-L328 PolarHBondContact O-N 3.08Å
326	E	97.9	Very high	94.8	Very high	116 Å²	116	77.9 Å²	77.9	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-42.9	174.1	-166.1	57.3	-145.5	0	0	111.4	P322 L324 L328 K329	P322-E326 PolarHBondContact O-N 2.98Å; L324-E326 VanDerWaalsContact C-N 3.29Å; L324-E326 PolarHBondContact O-N 3.26Å; E326-L328 VanDerWaalsContact C-N 3.33Å; E326-L328 PolarHBondContact O-N 3.3Å; E326-K329 WeakPolarHBondContact O-CB 3.41Å; E326-K329 PolarHBondContact O-N 3.28Å; E326-K329 IonicContact OE1-NZ 3.82Å; E326-K329 WeakPolarHBondContact OE2-CE 3.01Å; E326-K329 IonicContact OE2-NZ 2.94Å; E326-K329 PolarHBondContact OE2-NZ 2.84Å
327	H	97.9	Very high	94.6	Very high	29 Å²	29	75.6 Å²	75.6	13%	0.134	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-38.6	175.1	175.1	61.6	0	0	0	113	C311 C314 L318 S323 L324 K329 S330 H331	C311-H327 PolarHBondContact SG-NE2 3.11Å; C314-H327 PolarHBondContact SG-NE2 3.12Å; L318-H327 HydrophobicContact CD1-CB 4.2Å; L318-H327 HydrophobicContact CG-CB 4.38Å; S323-H327 VanDerWaalsContact O-CB 3.29Å; S323-H327 WeakPolarHBondContact O-CB 3.46Å; S323-H327 PolarHBondContact O-N 2.75Å; L324-H327 CarbonylContact O-C 3.55Å; L324-H327 WeakPolarHBondContact O-CA 3.29Å; L324-H327 WeakPolarHBondContact O-CB 3.4Å; L324-H327 PolarHBondContact O-N 3.32Å; L324-H327 VanDerWaalsContact O-N 3.12Å; H327-K329 PolarHBondContact O-N 3.48Å; H327-S330 PolarHBondContact O-N 3.41Å; H327-S330 VanDerWaalsContact O-N 3.11Å; H327-S330 PolarHBondContact O-OG 2.85Å; H327-H331 AromaticContact CD2-NE2 3.96Å; H327-H331 AromaticContact CE1-NE2 3.28Å; H327-H331 PolarHBondContact CE1-NE2 2.85Å; H327-H331 VanDerWaalsContact CE1-NE2 3.28Å; H327-H331 AromaticContact NE2-CD2 3.79Å; H327-H331 AromaticContact NE2-NE2 3.07Å; H327-H331 PolarHBondContact NE2-NE2 3.49Å
328	L	97.6	Very high	94.4	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-30.7	-179	-70.4	168.5	0	0	0	112.9	F260 W271 L324 K325 E326 S330 H331 F332	F260-L328 HydrophobicContact CB-CD1 4.07Å; W271-L328 HydrophobicContact CH2-CD1 3.74Å; W271-L328 HydrophobicContact CH2-CD2 3.67Å; W271-L328 HydrophobicContact CH2-CG 4.26Å; W271-L328 HydrophobicContact CZ3-CD1 3.62Å; W271-L328 HydrophobicContact CZ3-CD2 4.38Å; L324-L328 HydrophobicContact CD1-CG 4.4Å; L324-L328 HydrophobicContact CG-CD1 4.21Å; L324-L328 HydrophobicContact CG-CG 4.44Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.5Å; L324-L328 PolarHBondContact O-N 2.81Å; K325-L328 PolarHBondContact O-N 3.08Å; E326-L328 VanDerWaalsContact C-N 3.33Å; E326-L328 PolarHBondContact O-N 3.3Å; L328-S330 PolarHBondContact O-N 3.07Å; L328-H331 WeakPolarHBondContact O-CB 3.43Å; L328-H331 PolarHBondContact O-N 3.26Å; L328-F332 HydrophobicContact CB-CE1 4.19Å; L328-F332 VanDerWaalsContact O-CD1 3.26Å; L328-F332 WeakPolarHBondContact O-CD1 3.36Å; L328-F332 WeakPolarHBondContact O-CE1 3.47Å
329	K	96.4	Very high	94.2	Very high	106 Å²	106	75.9 Å²	75.9	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-28.1	176.4	-63	174	-177.9	170.5	0	112.9	E326 H327 H331 F332	E326-K329 WeakPolarHBondContact O-CB 3.41Å; E326-K329 PolarHBondContact O-N 3.28Å; E326-K329 IonicContact OE1-NZ 3.82Å; E326-K329 WeakPolarHBondContact OE2-CE 3.01Å; E326-K329 IonicContact OE2-NZ 2.94Å; E326-K329 PolarHBondContact OE2-NZ 2.84Å; H327-K329 PolarHBondContact O-N 3.48Å; K329-H331 PolarHBondContact O-N 3.47Å; K329-F332 HydrophobicContact CB-CD2 4.27Å; K329-F332 HydrophobicContact CB-CE2 4.11Å; K329-F332 HydrophobicContact CG-CD2 4.32Å; K329-F332 HydrophobicContact CG-CE2 3.71Å; K329-F332 HydrophobicContact CG-CZ 4.05Å; K329-F332 PolarHBondContact O-N 3.22Å
330	S	96.6	Very high	94	Very high	85 Å²	85	73.3 Å²	73.3	59%	0.594	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.2	176.5	74	0	0	0	0	113.4	H327 L328	H327-S330 PolarHBondContact O-N 3.41Å; H327-S330 VanDerWaalsContact O-N 3.11Å; H327-S330 PolarHBondContact O-OG 2.85Å; L328-S330 PolarHBondContact O-N 3.07Å
331	H	95.6	Very high	93.8	Very high	66 Å²	66	73.6 Å²	73.6	31%	0.306	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.2	178.6	-59.7	-62.3	0	0	0	113	V313 H327 L328 K329	V313-H331 HydrophobicContact CG2-CB 4.31Å; H327-H331 AromaticContact CD2-NE2 3.96Å; H327-H331 AromaticContact CE1-NE2 3.28Å; H327-H331 PolarHBondContact CE1-NE2 2.85Å; H327-H331 VanDerWaalsContact CE1-NE2 3.28Å; H327-H331 AromaticContact NE2-CD2 3.79Å; H327-H331 AromaticContact NE2-NE2 3.07Å; H327-H331 PolarHBondContact NE2-NE2 3.49Å; L328-H331 WeakPolarHBondContact O-CB 3.43Å; L328-H331 PolarHBondContact O-N 3.26Å; K329-H331 PolarHBondContact O-N 3.47Å
332	F	91.7	Very high	93.5	Very high	41 Å²	41	77.8 Å²	77.8	18%	0.18	38%	0.38	C	S	.	.	S	Bend	trans	-66.6	144.9	177.9	-66.9	-7.9	0	0	0	110.5	R191 D259 D261 L328 K329 R334	R191-F332 VanDerWaalsContact NH2-CD2 3.27Å; R191-F332 VanDerWaalsContact NH2-CE2 3.32Å; D259-F332 HydrophobicContact CB-CD1 4.33Å; D259-F332 HydrophobicContact CB-CE1 4.02Å; D259-F332 WeakPolarHBondContact O-CE1 3.11Å; D261-F332 HydrophobicContact CB-CE1 4.22Å; D261-F332 HydrophobicContact CB-CE2 4.09Å; D261-F332 HydrophobicContact CB-CZ 3.52Å; L328-F332 HydrophobicContact CB-CE1 4.19Å; L328-F332 VanDerWaalsContact O-CD1 3.26Å; L328-F332 WeakPolarHBondContact O-CD1 3.36Å; L328-F332 WeakPolarHBondContact O-CE1 3.47Å; K329-F332 HydrophobicContact CB-CD2 4.27Å; K329-F332 HydrophobicContact CB-CE2 4.11Å; K329-F332 HydrophobicContact CG-CD2 4.32Å; K329-F332 HydrophobicContact CG-CE2 3.71Å; K329-F332 HydrophobicContact CG-CZ 4.05Å; K329-F332 PolarHBondContact O-N 3.22Å; F332-R334 PolarHBondContact O-N 3.02Å
333	P	82.3	Confident	93.1	Very high	63 Å²	63	76.5 Å²	76.5	41%	0.409	36%	0.361	S	S	.	.			trans	-53.2	134.7	171	-20.6	31.5	0	0	0	109.3	T235 L236	T235-P333 WeakPolarHBondContact O-CG 3.49Å; L236-P333 HydrophobicContact CD2-CG 4.08Å
334	R	67.4	Low	92.7	Very high	316 Å²	316	80.2 Å²	80.2	100%	1.192	37%	0.371	S	S	*	.			trans	-81	0	177.9	-73.1	-172.5	179	-173.3	-0.1	111.7	F332	F332-R334 PolarHBondContact O-N 3.02Å

Retrieved 334 of 334 residues in 330.1 ms (Link to these results)

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