A0A3Q0KRM8_SCHMA Loading...

ATP-dependent RNA helicase AlphaSync

Acts as an ATP-dependent RNA helicase, able to unwind both RNA-RNA and RNA-DNA duplexes. Possesses 5' single-stranded RNA overhang nuclease activity. It is also an accessory subunit of the tRNA-splicing ligase complex that acts by directly joining spliced tRNA halves to mature-sized tRNAs by incorporating the precursor-derived splice junction phosphate into the mature tRNA as a canonical 3',5'-phosphodiester. RNA helicase.

AlphaFold DB , UniProt , Accession A0A3Q0KRM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 742 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50	Low	74.4	Confident	234 Å²	234	61.9 Å²	61.9	100%	1.153	35%	0.353	S	S	*	.				0	129.9	0	-86.5	-173.8	-112.4	0	0	106.6
2	A	60.1	Low	75.8	Confident	48 Å²	48	59.9 Å²	59.9	40%	0.397	34%	0.34	S	S	.	.			trans	-62.6	141.7	170.2	0	0	0	0	0	108.8	E6 T7	A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 HydrophobicContact CB-CB 4.33Å; A2-E6 HydrophobicContact CB-CG 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.06Å; A2-T7 HydrophobicContact CB-CG2 3.53Å
3	T	73	Confident	77	Confident	16 Å²	16	60.4 Å²	60.4	10%	0.098	35%	0.347	C	S	.	.			trans	-80.8	165.7	-179.8	61.1	0	0	0	0	110.3	F5 E6 T7 S16 Q20	T3-F5 PolarHBondContact O-N 3Å; T3-E6 PolarHBondContact O-N 2.97Å; T3-E6 VanDerWaalsContact O-N 3.09Å; T3-E6 PolarHBondContact OG1-N 2.85Å; T3-T7 PolarHBondContact O-N 3.24Å; T3-T7 PolarHBondContact O-OG1 3.18Å; T3-S16 WeakPolarHBondContact OG1-CB 3.44Å; T3-S16 PolarHBondContact OG1-OG 3.02Å; T3-Q20 HydrophobicContact CG2-CB 4.49Å
4	A	75.6	Confident	78.1	Confident	12 Å²	12	60.6 Å²	60.6	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-57.3	-33.9	170.1	0	0	0	0	0	111.5	E6 T7 E8 L26 P27	A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 2.86Å; A4-T7 PolarHBondContact O-N 2.93Å; A4-E8 WeakPolarHBondContact O-CB 3.49Å; A4-E8 PolarHBondContact O-N 2.89Å; A4-L26 HydrophobicContact CB-CD2 4.15Å; A4-P27 HydrophobicContact CB-CG 4.34Å
5	F	79.5	Confident	79.2	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-43.3	173.1	-72.2	-99.1	0	0	0	113.1	T3 M9 G10 V11 V19 W24 P27 L60	T3-F5 PolarHBondContact O-N 3Å; F5-M9 HydrophobicContact CB-CE 3.87Å; F5-M9 HydrophobicContact CD1-CE 3.02Å; F5-M9 HydrophobicContact CD2-CE 4.15Å; F5-M9 HydrophobicContact CE1-CE 3.43Å; F5-M9 VanDerWaalsContact CE1-CE 3.43Å; F5-M9 HydrophobicContact CE2-CE 4.47Å; F5-M9 HydrophobicContact CG-CE 3.42Å; F5-M9 VanDerWaalsContact CG-CE 3.42Å; F5-M9 HydrophobicContact CZ-CE 4.14Å; F5-M9 WeakPolarHBondContact O-CB 3.47Å; F5-M9 PolarHBondContact O-N 2.88Å; F5-G10 PolarHBondContact O-N 3.2Å; F5-V11 HydrophobicContact CB-CB 4.11Å; F5-V11 HydrophobicContact CB-CG2 4.28Å; F5-V11 HydrophobicContact CD1-CG2 4.35Å; F5-V11 VanDerWaalsContact O-CB 3.28Å; F5-V11 WeakPolarHBondContact O-CB 3.44Å; F5-V11 WeakPolarHBondContact O-CG2 3.49Å; F5-V11 PolarHBondContact O-N 2.97Å; F5-V19 HydrophobicContact CD1-CG1 4.4Å; F5-V19 HydrophobicContact CD2-CG1 4.18Å; F5-V19 HydrophobicContact CE1-CG1 4.05Å; F5-V19 HydrophobicContact CE2-CG1 3.79Å; F5-V19 HydrophobicContact CG-CG1 4.49Å; F5-V19 HydrophobicContact CZ-CG1 3.74Å; F5-W24 HydrophobicContact CE2-CB 4.34Å; F5-W24 HydrophobicContact CZ-CE3 4.02Å; F5-P27 HydrophobicContact CE1-CB 4.25Å; F5-P27 HydrophobicContact CE2-CB 4.08Å; F5-P27 HydrophobicContact CZ-CB 3.83Å; F5-L60 HydrophobicContact CD1-CD1 3.92Å; F5-L60 HydrophobicContact CE1-CD1 3.63Å
6	E	81.7	Confident	79.8	Confident	77 Å²	77	53.2 Å²	53.2	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-74.1	-47.3	178.9	-174.6	-178.4	164.9	0	0	112.1	A2 T3 A4 V11 S16	A2-E6 WeakPolarHBondContact CA-OE2 3.48Å; A2-E6 HydrophobicContact CB-CB 4.33Å; A2-E6 HydrophobicContact CB-CG 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.06Å; T3-E6 PolarHBondContact O-N 2.97Å; T3-E6 VanDerWaalsContact O-N 3.09Å; T3-E6 PolarHBondContact OG1-N 2.85Å; A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 2.86Å; E6-V11 WeakPolarHBondContact CA-O 3.44Å; E6-S16 PolarHBondContact N-OG 3.13Å
7	T	76.2	Confident	80.5	Confident	94 Å²	94	56.1 Å²	56.1	58%	0.577	31%	0.31	S	S	*	.	H	α-helix	trans	-81.1	-35.8	-169.8	48.2	0	0	0	0	114.3	A2 T3 A4	A2-T7 HydrophobicContact CB-CG2 3.53Å; T3-T7 PolarHBondContact O-N 3.24Å; T3-T7 PolarHBondContact O-OG1 3.18Å; A4-T7 PolarHBondContact O-N 2.93Å
8	E	75.2	Confident	81.2	Confident	140 Å²	140	53.1 Å²	53.1	65%	0.654	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-32.9	-174.2	-59.5	176.5	177.7	0	0	112	A4	A4-E8 WeakPolarHBondContact O-CB 3.49Å; A4-E8 PolarHBondContact O-N 2.89Å
9	M	77.4	Confident	81.6	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.049	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-5.1	-172.3	-59.2	-169	-68.9	0	0	114.7	F5 V11 P27 V35 P36 L39	F5-M9 HydrophobicContact CB-CE 3.87Å; F5-M9 HydrophobicContact CD1-CE 3.02Å; F5-M9 HydrophobicContact CD2-CE 4.15Å; F5-M9 HydrophobicContact CE1-CE 3.43Å; F5-M9 VanDerWaalsContact CE1-CE 3.43Å; F5-M9 HydrophobicContact CE2-CE 4.47Å; F5-M9 HydrophobicContact CG-CE 3.42Å; F5-M9 VanDerWaalsContact CG-CE 3.42Å; F5-M9 HydrophobicContact CZ-CE 4.14Å; F5-M9 WeakPolarHBondContact O-CB 3.47Å; F5-M9 PolarHBondContact O-N 2.88Å; M9-V11 VanDerWaalsContact C-N 3.3Å; M9-V11 HydrophobicContact CB-CG2 4.08Å; M9-V11 PolarHBondContact O-N 3.32Å; M9-P27 HydrophobicContact CE-CB 3.54Å; M9-P27 HydrophobicContact CE-CG 3.89Å; M9-P27 HydrophobicContact SD-CB 4Å; M9-P27 HydrophobicContact SD-CG 4.27Å; M9-V35 HydrophobicContact CB-CG1 4.06Å; M9-V35 HydrophobicContact SD-CB 3.92Å; M9-V35 HydrophobicContact SD-CG1 4.32Å; M9-V35 HydrophobicContact SD-CG2 4.28Å; M9-P36 HydrophobicContact CB-CG 4.29Å; M9-P36 HydrophobicContact CG-CG 4.22Å; M9-L39 VanDerWaalsContact O-CD1 3.26Å; M9-L39 WeakPolarHBondContact O-CD1 3.31Å
10	G	81.2	Confident	81.8	Confident	46 Å²	46	53 Å²	53	47%	0.474	29%	0.289	S	S	.	.			trans	70	24.2	-180	0	0	0	0	0	114.3	F5 Q64	F5-G10 PolarHBondContact O-N 3.2Å; G10-Q64 PolarHBondContact O-NE2 3.11Å; G10-Q64 VanDerWaalsContact O-NE2 3.1Å
11	V	88.6	Confident	82	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	30%	0.295	C	S	.	.			trans	-76	136.1	177.6	178.6	0	0	0	0	110.5	F5 E6 M9 L15 V35 Q64	F5-V11 HydrophobicContact CB-CB 4.11Å; F5-V11 HydrophobicContact CB-CG2 4.28Å; F5-V11 HydrophobicContact CD1-CG2 4.35Å; F5-V11 VanDerWaalsContact O-CB 3.28Å; F5-V11 WeakPolarHBondContact O-CB 3.44Å; F5-V11 WeakPolarHBondContact O-CG2 3.49Å; F5-V11 PolarHBondContact O-N 2.97Å; E6-V11 WeakPolarHBondContact CA-O 3.44Å; M9-V11 VanDerWaalsContact C-N 3.3Å; M9-V11 HydrophobicContact CB-CG2 4.08Å; M9-V11 PolarHBondContact O-N 3.32Å; V11-L15 HydrophobicContact CG1-CB 3.59Å; V11-L15 HydrophobicContact CG1-CD1 4.16Å; V11-V35 HydrophobicContact CG2-CG1 3.67Å; V11-Q64 VanDerWaalsContact CA-OE1 3.32Å
12	L	91.6	Very high	83.6	Confident	38 Å²	38	45.6 Å²	45.6	20%	0.199	25%	0.25	C	S	.	.			trans	-53.8	142.1	178.9	-74.2	175	0	0	0	112.8	E14 L15 S16 Q64 Y67 L315	L12-E14 PolarHBondContact O-N 3.12Å; L12-E14 VanDerWaalsContact O-N 3.15Å; L12-L15 HydrophobicContact CB-CD1 4.43Å; L12-L15 HydrophobicContact CB-CG 4.4Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-S16 PolarHBondContact O-N 3.13Å; L12-S16 PolarHBondContact O-OG 3.38Å; L12-Q64 HydrophobicContact CD1-CG 3.81Å; L12-Q64 HydrophobicContact CG-CG 3.88Å; L12-Y67 HydrophobicContact CD1-CD1 3.69Å; L12-Y67 HydrophobicContact CD1-CE1 4.1Å; L12-L315 HydrophobicContact CD1-CD2 4.48Å
13	P	90.6	Very high	84.4	Confident	66 Å²	66	49.9 Å²	49.9	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-54.7	-35.5	178.9	-27.1	34.9	0	0	0	113.9	S16 K17	P13-S16 PolarHBondContact O-N 2.99Å; P13-K17 VanDerWaalsContact O-CB 3.32Å; P13-K17 WeakPolarHBondContact O-CB 3.22Å; P13-K17 PolarHBondContact O-N 3.16Å
14	E	92.9	Very high	84.7	Confident	63 Å²	63	52.3 Å²	52.3	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.5	-63.9	89.5	161	0	0	112.2	L12 A18 Y314 L315	L12-E14 PolarHBondContact O-N 3.12Å; L12-E14 VanDerWaalsContact O-N 3.15Å; E14-A18 PolarHBondContact O-N 2.7Å; E14-Y314 WeakPolarHBondContact O-CB 3.44Å; E14-L315 HydrophobicContact CB-CD2 3.77Å; E14-L315 HydrophobicContact CG-CD2 4.44Å
15	L	93.8	Very high	84.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-47.8	175.9	-69.3	179.1	0	0	0	110.2	V11 L12 K17 A18 V19 L60 L63 Q64 F311 L315	V11-L15 HydrophobicContact CG1-CB 3.59Å; V11-L15 HydrophobicContact CG1-CD1 4.16Å; L12-L15 HydrophobicContact CB-CD1 4.43Å; L12-L15 HydrophobicContact CB-CG 4.4Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-K17 PolarHBondContact O-N 3.21Å; L15-A18 WeakPolarHBondContact O-CA 3.22Å; L15-A18 WeakPolarHBondContact O-CB 3.38Å; L15-A18 PolarHBondContact O-N 2.58Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.19Å; L15-L60 HydrophobicContact CB-CD2 4.47Å; L15-L63 HydrophobicContact CD2-CD2 3.57Å; L15-L63 HydrophobicContact CD2-CG 4.17Å; L15-Q64 HydrophobicContact CD1-CB 3.75Å; L15-F311 VanDerWaalsContact CD2-O 3.28Å; L15-F311 WeakPolarHBondContact CD2-O 3.11Å; L15-L315 HydrophobicContact CD2-CD1 3.75Å; L15-L315 HydrophobicContact CD2-CD2 4.29Å; L15-L315 HydrophobicContact CD2-CG 4Å; L15-L315 HydrophobicContact CG-CD1 4.4Å; L15-L315 HydrophobicContact CG-CD2 4.26Å
16	S	90	Very high	84.3	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-54.1	-40.1	176.4	-72	0	0	0	0	112.4	T3 E6 L12 P13 V19 Q20	T3-S16 WeakPolarHBondContact OG1-CB 3.44Å; T3-S16 PolarHBondContact OG1-OG 3.02Å; E6-S16 PolarHBondContact N-OG 3.13Å; L12-S16 PolarHBondContact O-N 3.13Å; L12-S16 PolarHBondContact O-OG 3.38Å; P13-S16 PolarHBondContact O-N 2.99Å; S16-V19 PolarHBondContact O-N 3.05Å; S16-Q20 WeakPolarHBondContact O-CB 3.45Å; S16-Q20 PolarHBondContact O-N 3.18Å
17	K	91.3	Very high	84.3	Confident	102 Å²	102	60.9 Å²	60.9	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-42.9	174.1	-175	-178.2	177.1	-177.9	0	112.6	P13 L15 V19 Q20 E21 Y314	P13-K17 VanDerWaalsContact O-CB 3.32Å; P13-K17 WeakPolarHBondContact O-CB 3.22Å; P13-K17 PolarHBondContact O-N 3.16Å; L15-K17 PolarHBondContact O-N 3.21Å; K17-V19 VanDerWaalsContact C-N 3.32Å; K17-Q20 PolarHBondContact O-N 3.45Å; K17-E21 PolarHBondContact O-N 3.17Å; K17-Y314 HydrophobicContact CB-CD2 3.99Å; K17-Y314 HydrophobicContact CB-CE2 4.31Å; K17-Y314 HydrophobicContact CD-CD1 4.17Å; K17-Y314 HydrophobicContact CD-CD2 3.84Å; K17-Y314 HydrophobicContact CD-CE1 4.15Å; K17-Y314 HydrophobicContact CD-CE2 3.79Å; K17-Y314 HydrophobicContact CD-CG 4.05Å; K17-Y314 HydrophobicContact CG-CD2 3.83Å; K17-Y314 HydrophobicContact CG-CE2 3.69Å
18	A	92.2	Very high	84.7	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-41.8	177.4	0	0	0	0	0	111.4	E14 L15 E21 M22 F311 Y314	E14-A18 PolarHBondContact O-N 2.7Å; L15-A18 WeakPolarHBondContact O-CA 3.22Å; L15-A18 WeakPolarHBondContact O-CB 3.38Å; L15-A18 PolarHBondContact O-N 2.58Å; A18-E21 PolarHBondContact O-N 3.36Å; A18-M22 WeakPolarHBondContact O-CG 3.31Å; A18-M22 PolarHBondContact O-N 2.93Å; A18-F311 VanDerWaalsContact CB-O 3.31Å; A18-F311 WeakPolarHBondContact CB-O 3.32Å; A18-Y314 HydrophobicContact CB-CD2 3.94Å; A18-Y314 HydrophobicContact CB-CE2 4.39Å
19	V	89.3	Confident	85.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-38.3	179.3	-179.1	0	0	0	0	111.1	F5 L15 S16 K17 E21 M22 W24 L60 F311	F5-V19 HydrophobicContact CD1-CG1 4.4Å; F5-V19 HydrophobicContact CD2-CG1 4.18Å; F5-V19 HydrophobicContact CE1-CG1 4.05Å; F5-V19 HydrophobicContact CE2-CG1 3.79Å; F5-V19 HydrophobicContact CG-CG1 4.49Å; F5-V19 HydrophobicContact CZ-CG1 3.74Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.19Å; S16-V19 PolarHBondContact O-N 3.05Å; K17-V19 VanDerWaalsContact C-N 3.32Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.38Å; V19-M22 WeakPolarHBondContact O-CA 3.39Å; V19-M22 WeakPolarHBondContact O-CB 3.31Å; V19-M22 PolarHBondContact O-N 3.47Å; V19-W24 HydrophobicContact CG1-CB 3.32Å; V19-W24 HydrophobicContact CG1-CD2 3.96Å; V19-W24 HydrophobicContact CG1-CE3 3.51Å; V19-W24 HydrophobicContact CG1-CG 3.96Å; V19-W24 HydrophobicContact CG1-CZ3 4.49Å; V19-W24 WeakPolarHBondContact O-CB 3.48Å; V19-W24 PolarHBondContact O-N 3.2Å; V19-L60 HydrophobicContact CG2-CD1 4.06Å; V19-L60 HydrophobicContact CG2-CD2 3.54Å; V19-L60 HydrophobicContact CG2-CG 4.45Å; V19-F311 HydrophobicContact CG2-CD1 4.16Å; V19-F311 HydrophobicContact CG2-CE1 4.43Å
20	Q	85.7	Confident	85.5	Confident	103 Å²	103	57.6 Å²	57.6	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-36.6	175.1	-169.9	177.5	17.6	0	0	113.2	T3 S16 K17 M22 D23	T3-Q20 HydrophobicContact CG2-CB 4.49Å; S16-Q20 WeakPolarHBondContact O-CB 3.45Å; S16-Q20 PolarHBondContact O-N 3.18Å; K17-Q20 PolarHBondContact O-N 3.45Å; Q20-M22 PolarHBondContact O-N 3.07Å; Q20-D23 PolarHBondContact O-N 3.41Å; Q20-D23 VanDerWaalsContact O-N 3.11Å
21	E	87.1	Confident	85.9	Confident	89 Å²	89	55.4 Å²	55.4	42%	0.416	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13	175	-70.5	179.3	176.8	0	0	113.7	K17 A18 V19 D23 R313 Y314	K17-E21 PolarHBondContact O-N 3.17Å; A18-E21 PolarHBondContact O-N 3.36Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.38Å; E21-D23 VanDerWaalsContact C-N 3.28Å; E21-R313 IonicContact OE2-CZ 3.56Å; E21-R313 IonicContact OE2-NE 2.66Å; E21-R313 IonicContact OE2-NH1 3.23Å; E21-R313 PolarHBondContact OE2-NH1 3.18Å; E21-Y314 PolarHBondContact OE1-OH 3.43Å; E21-Y314 PolarHBondContact OE2-OH 2.89Å; E21-Y314 VanDerWaalsContact OE2-OH 3.11Å
22	M	82.7	Confident	85.7	Confident	43 Å²	43	57.3 Å²	57.3	21%	0.212	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.1	172.8	-60.1	172.4	58	0	0	111.9	A18 V19 Q20 W24 K310 F311	A18-M22 WeakPolarHBondContact O-CG 3.31Å; A18-M22 PolarHBondContact O-N 2.93Å; V19-M22 WeakPolarHBondContact O-CA 3.39Å; V19-M22 WeakPolarHBondContact O-CB 3.31Å; V19-M22 PolarHBondContact O-N 3.47Å; Q20-M22 PolarHBondContact O-N 3.07Å; M22-W24 HydrophobicContact CE-CZ2 4.49Å; M22-W24 PolarHBondContact O-N 3.06Å; M22-K310 HydrophobicContact CE-CD 4.15Å; M22-K310 HydrophobicContact SD-CB 3.88Å; M22-K310 HydrophobicContact SD-CD 4.36Å; M22-F311 HydrophobicContact CE-CD1 4.39Å; M22-F311 HydrophobicContact CE-CE1 3.66Å; M22-F311 HydrophobicContact CE-CZ 4.32Å; M22-F311 HydrophobicContact SD-CD1 3.81Å; M22-F311 HydrophobicContact SD-CE1 3.62Å
23	D	77.2	Confident	85.5	Confident	139 Å²	139	60.7 Å²	60.7	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	22.2	-176.8	-58.2	-51.3	0	0	0	114.1	Q20 E21 I25	Q20-D23 PolarHBondContact O-N 3.41Å; Q20-D23 VanDerWaalsContact O-N 3.11Å; E21-D23 VanDerWaalsContact C-N 3.28Å; D23-I25 PolarHBondContact O-N 2.97Å
24	W	78.6	Confident	85.6	Confident	66 Å²	66	57.5 Å²	57.5	25%	0.25	29%	0.29	C	S	.	.			trans	-89.6	83	174.3	-71	19	0	0	0	109.6	F5 V19 M22 Q31 F311	F5-W24 HydrophobicContact CE2-CB 4.34Å; F5-W24 HydrophobicContact CZ-CE3 4.02Å; V19-W24 HydrophobicContact CG1-CB 3.32Å; V19-W24 HydrophobicContact CG1-CD2 3.96Å; V19-W24 HydrophobicContact CG1-CE3 3.51Å; V19-W24 HydrophobicContact CG1-CG 3.96Å; V19-W24 HydrophobicContact CG1-CZ3 4.49Å; V19-W24 WeakPolarHBondContact O-CB 3.48Å; V19-W24 PolarHBondContact O-N 3.2Å; M22-W24 HydrophobicContact CE-CZ2 4.49Å; M22-W24 PolarHBondContact O-N 3.06Å; W24-Q31 VanDerWaalsContact CH2-NE2 3.35Å; W24-F311 HydrophobicContact CH2-CE1 4.3Å; W24-F311 AromaticContact CH2-CZ 3.98Å; W24-F311 HydrophobicContact CH2-CZ 3.98Å; W24-F311 HydrophobicContact CZ3-CE1 4.19Å; W24-F311 HydrophobicContact CZ3-CZ 4.13Å
25	I	71.3	Confident	85.5	Confident	122 Å²	122	54.5 Å²	54.5	63%	0.626	28%	0.276	S	S	*	.			trans	-77.4	-40.6	-179.2	-57.1	171.7	0	0	0	110.8	D23	D23-I25 PolarHBondContact O-N 2.97Å
26	L	75.2	Confident	85	Confident	130 Å²	130	57 Å²	57	68%	0.681	29%	0.293	S	S	*	.	S	Bend	trans	-120.5	141	178.3	-68	172	0	0	0	109.6	A4	A4-L26 HydrophobicContact CB-CD2 4.15Å
27	P	83.2	Confident	84.8	Confident	18 Å²	18	59.5 Å²	59.5	12%	0.117	31%	0.305	C	S	.	.			trans	-66.2	145.6	172.2	29.1	-34.6	0	0	0	110.8	A4 F5 M9 Q31 S32	A4-P27 HydrophobicContact CB-CG 4.34Å; F5-P27 HydrophobicContact CE1-CB 4.25Å; F5-P27 HydrophobicContact CE2-CB 4.08Å; F5-P27 HydrophobicContact CZ-CB 3.83Å; M9-P27 HydrophobicContact CE-CB 3.54Å; M9-P27 HydrophobicContact CE-CG 3.89Å; M9-P27 HydrophobicContact SD-CB 4Å; M9-P27 HydrophobicContact SD-CG 4.27Å; P27-Q31 HydrophobicContact CB-CB 3.98Å; P27-S32 WeakPolarHBondContact CB-OG 3.14Å; P27-S32 WeakPolarHBondContact CG-OG 3.36Å
28	T	84.8	Confident	84.8	Confident	53 Å²	53	54.7 Å²	54.7	33%	0.325	28%	0.284	S	S	.	.			trans	-71.6	156.4	166.1	58.6	0	0	0	0	109.9	I30 Q31 S32 S52	T28-I30 PolarHBondContact O-N 3.05Å; T28-I30 WeakPolarHBondContact OG1-CG2 3.45Å; T28-Q31 VanDerWaalsContact N-OE1 3.08Å; T28-Q31 WeakPolarHBondContact O-CA 3.19Å; T28-Q31 WeakPolarHBondContact O-CB 3.27Å; T28-Q31 PolarHBondContact O-N 3.32Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.4Å; T28-Q31 PolarHBondContact OG1-OE1 2.91Å; T28-S32 PolarHBondContact O-N 3.39Å; T28-S32 PolarHBondContact O-OG 3.19Å; T28-S52 VanDerWaalsContact CB-O 3.32Å; T28-S52 WeakPolarHBondContact CB-O 3.45Å; T28-S52 WeakPolarHBondContact CG2-O 3.47Å; T28-S52 PolarHBondContact OG1-O 2.79Å; T28-S52 VanDerWaalsContact OG1-O 3.04Å
29	D	82	Confident	84.6	Confident	120 Å²	120	56.7 Å²	56.7	64%	0.642	29%	0.294	S	S	*	.	H	α-helix	trans	-47.8	-42.4	178.6	-58.5	-18.8	0	0	0	113.5	Q31 S32 E33 L433	D29-Q31 VanDerWaalsContact C-N 3.29Å; D29-Q31 PolarHBondContact O-N 3.29Å; D29-S32 PolarHBondContact O-N 3.46Å; D29-E33 WeakPolarHBondContact O-CG 3.33Å; D29-E33 PolarHBondContact O-N 2.97Å; D29-E33 VanDerWaalsContact O-N 3.11Å; D29-L433 HydrophobicContact CB-CD1 3.66Å
30	I	87.2	Confident	84.1	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-66.6	-31.5	179.1	-163.9	61.3	0	0	0	112.9	T28 A34 M46 A48 S52 K54 A57 I431 L433	T28-I30 PolarHBondContact O-N 3.05Å; T28-I30 WeakPolarHBondContact OG1-CG2 3.45Å; I30-A34 WeakPolarHBondContact O-CB 3.35Å; I30-A34 PolarHBondContact O-N 3.36Å; I30-M46 HydrophobicContact CD1-CB 3.84Å; I30-M46 HydrophobicContact CD1-CG 4.46Å; I30-M46 HydrophobicContact CD1-SD 4.12Å; I30-M46 HydrophobicContact CG1-SD 3.99Å; I30-A48 HydrophobicContact CB-CB 4.25Å; I30-A48 HydrophobicContact CD1-CB 4.13Å; I30-A48 HydrophobicContact CG1-CB 4.02Å; I30-S52 WeakPolarHBondContact CG2-O 3.19Å; I30-K54 HydrophobicContact CG1-CG 4.39Å; I30-A57 HydrophobicContact CG1-CB 4.48Å; I30-A57 HydrophobicContact CG2-CB 4.36Å; I30-I431 HydrophobicContact CD1-CB 4.27Å; I30-I431 HydrophobicContact CD1-CG2 3.56Å; I30-L433 HydrophobicContact CB-CD1 3.71Å; I30-L433 HydrophobicContact CD1-CD1 3.89Å; I30-L433 HydrophobicContact CD1-CG 4.24Å; I30-L433 HydrophobicContact CG1-CD1 4.38Å
31	Q	89.4	Confident	83.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-74.9	-44.8	176.7	-68.1	164.3	-3.7	0	0	110.1	W24 P27 T28 D29 E33 A34 V35 G53 A57	W24-Q31 VanDerWaalsContact CH2-NE2 3.35Å; P27-Q31 HydrophobicContact CB-CB 3.98Å; T28-Q31 VanDerWaalsContact N-OE1 3.08Å; T28-Q31 WeakPolarHBondContact O-CA 3.19Å; T28-Q31 WeakPolarHBondContact O-CB 3.27Å; T28-Q31 PolarHBondContact O-N 3.32Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.4Å; T28-Q31 PolarHBondContact OG1-OE1 2.91Å; D29-Q31 VanDerWaalsContact C-N 3.29Å; D29-Q31 PolarHBondContact O-N 3.29Å; Q31-E33 VanDerWaalsContact C-N 3.28Å; Q31-E33 PolarHBondContact O-N 3.14Å; Q31-A34 PolarHBondContact O-N 3Å; Q31-V35 HydrophobicContact CB-CG2 4.4Å; Q31-V35 VanDerWaalsContact O-CB 3.26Å; Q31-V35 WeakPolarHBondContact O-CB 3.03Å; Q31-V35 WeakPolarHBondContact O-CG2 3.36Å; Q31-V35 PolarHBondContact O-N 3.04Å; Q31-G53 PolarHBondContact NE2-O 2.79Å; Q31-G53 VanDerWaalsContact NE2-O 3.11Å; Q31-A57 HydrophobicContact CB-CB 4.44Å; Q31-A57 HydrophobicContact CG-CB 3.85Å
32	S	84.8	Confident	83.5	Confident	42 Å²	42	52.5 Å²	52.5	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-56.7	-40.6	178.4	-56.1	0	0	0	0	112.6	P27 T28 D29 P36	P27-S32 WeakPolarHBondContact CB-OG 3.14Å; P27-S32 WeakPolarHBondContact CG-OG 3.36Å; T28-S32 PolarHBondContact O-N 3.39Å; T28-S32 PolarHBondContact O-OG 3.19Å; D29-S32 PolarHBondContact O-N 3.46Å; S32-P36 WeakPolarHBondContact O-CD 3.35Å; S32-P36 WeakPolarHBondContact O-CG 3.23Å
33	E	86.6	Confident	83.9	Confident	109 Å²	109	50.5 Å²	50.5	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-79.9	-48.1	178	-67.2	-67.6	167.2	0	0	112.2	D29 Q31 L37 I431	D29-E33 WeakPolarHBondContact O-CG 3.33Å; D29-E33 PolarHBondContact O-N 2.97Å; D29-E33 VanDerWaalsContact O-N 3.11Å; Q31-E33 VanDerWaalsContact C-N 3.28Å; Q31-E33 PolarHBondContact O-N 3.14Å; E33-L37 VanDerWaalsContact O-CD1 3.29Å; E33-L37 WeakPolarHBondContact O-CD1 3.48Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.47Å; E33-I431 HydrophobicContact CB-CD1 4.05Å; E33-I431 HydrophobicContact CB-CG1 4.42Å; E33-I431 HydrophobicContact CB-CG2 3.73Å; E33-I431 HydrophobicContact CG-CG2 4.29Å
34	A	91.8	Very high	84.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-77.7	-37	-169.3	0	0	0	0	0	113.8	I30 Q31 L37 I38 V44 M46 A57 I431	I30-A34 WeakPolarHBondContact O-CB 3.35Å; I30-A34 PolarHBondContact O-N 3.36Å; Q31-A34 PolarHBondContact O-N 3Å; A34-L37 PolarHBondContact O-N 3.48Å; A34-I38 HydrophobicContact CB-CD1 4.32Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.32Å; A34-I38 PolarHBondContact O-N 3.39Å; A34-V44 HydrophobicContact CB-CG1 4.44Å; A34-M46 HydrophobicContact CB-SD 3.83Å; A34-A57 HydrophobicContact CB-CB 4.06Å; A34-I431 HydrophobicContact CB-CD1 3.55Å
35	V	91.8	Very high	85.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-50.5	-173.6	173.1	0	0	0	0	111.5	M9 V11 Q31 L37 I38 L39 A57 P61	M9-V35 HydrophobicContact CB-CG1 4.06Å; M9-V35 HydrophobicContact SD-CB 3.92Å; M9-V35 HydrophobicContact SD-CG1 4.32Å; M9-V35 HydrophobicContact SD-CG2 4.28Å; V11-V35 HydrophobicContact CG2-CG1 3.67Å; Q31-V35 HydrophobicContact CB-CG2 4.4Å; Q31-V35 VanDerWaalsContact O-CB 3.26Å; Q31-V35 WeakPolarHBondContact O-CB 3.03Å; Q31-V35 WeakPolarHBondContact O-CG2 3.36Å; Q31-V35 PolarHBondContact O-N 3.04Å; V35-L37 VanDerWaalsContact C-N 3.33Å; V35-L37 PolarHBondContact O-N 2.89Å; V35-I38 PolarHBondContact O-N 3.41Å; V35-L39 HydrophobicContact CG1-CD1 4.08Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.75Å; V35-A57 WeakPolarHBondContact CG2-O 3.22Å; V35-P61 HydrophobicContact CG1-CB 4.34Å; V35-P61 HydrophobicContact CG1-CG 4.47Å; V35-P61 HydrophobicContact CG2-CG 4.48Å
36	P	83.4	Confident	86.5	Confident	53 Å²	53	35 Å²	35	34%	0.344	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-38.7	177.6	-22.2	34.7	0	0	0	112.9	M9 S32 L39 G40	M9-P36 HydrophobicContact CB-CG 4.29Å; M9-P36 HydrophobicContact CG-CG 4.22Å; S32-P36 WeakPolarHBondContact O-CD 3.35Å; S32-P36 WeakPolarHBondContact O-CG 3.23Å; P36-L39 PolarHBondContact O-N 2.91Å; P36-G40 PolarHBondContact O-N 2.88Å
37	L	86.2	Confident	87	Confident	55 Å²	55	28.8 Å²	28.8	29%	0.288	18%	0.184	S	C	.	.	H	α-helix	trans	-65.2	-40.4	179.3	-70.8	173.6	0	0	0	112.3	E33 A34 V35 G40 G41 G42 V44 V429 I431	E33-L37 VanDerWaalsContact O-CD1 3.29Å; E33-L37 WeakPolarHBondContact O-CD1 3.48Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.47Å; A34-L37 PolarHBondContact O-N 3.48Å; V35-L37 VanDerWaalsContact C-N 3.33Å; V35-L37 PolarHBondContact O-N 2.89Å; L37-G40 PolarHBondContact O-N 2.99Å; L37-G41 PolarHBondContact O-N 3.28Å; L37-G42 PolarHBondContact O-N 3.41Å; L37-V44 HydrophobicContact CB-CG2 3.85Å; L37-V429 HydrophobicContact CD1-CB 4.08Å; L37-V429 HydrophobicContact CD1-CG1 3.56Å; L37-V429 HydrophobicContact CD2-CG1 4.39Å; L37-V429 HydrophobicContact CD2-CG2 4.29Å; L37-I431 HydrophobicContact CD1-CD1 3.68Å; L37-I431 HydrophobicContact CD1-CG1 4.01Å
38	I	91.3	Very high	86.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-42.3	176.6	-63.6	164.7	0	0	0	110.1	A34 V35 G40 G41 V44 F58 P61 F368 Q404 I406	A34-I38 HydrophobicContact CB-CD1 4.32Å; A34-I38 VanDerWaalsContact O-CG1 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.32Å; A34-I38 PolarHBondContact O-N 3.39Å; V35-I38 PolarHBondContact O-N 3.41Å; I38-G40 PolarHBondContact O-N 2.93Å; I38-G41 PolarHBondContact O-N 3.36Å; I38-V44 HydrophobicContact CG1-CB 4.13Å; I38-V44 HydrophobicContact CG1-CG2 3.7Å; I38-F58 HydrophobicContact CD1-CB 4.15Å; I38-P61 HydrophobicContact CB-CB 3.85Å; I38-P61 HydrophobicContact CB-CG 3.67Å; I38-P61 HydrophobicContact CD1-CG 3.83Å; I38-P61 HydrophobicContact CG1-CG 4.36Å; I38-P61 HydrophobicContact CG2-CB 3.66Å; I38-P61 HydrophobicContact CG2-CG 3.6Å; I38-F368 HydrophobicContact CG2-CE1 4.28Å; I38-Q404 VanDerWaalsContact CA-NE2 3.34Å; I38-Q404 PolarHBondContact O-NE2 3.02Å; I38-I406 HydrophobicContact CD1-CD1 3.92Å; I38-I406 HydrophobicContact CD1-CG1 4.27Å; I38-I406 HydrophobicContact CD1-CG2 4.2Å; I38-I406 HydrophobicContact CG1-CD1 4.11Å; I38-I406 HydrophobicContact CG1-CG1 4.27Å; I38-I406 HydrophobicContact CG2-CD1 3.72Å
39	L	86.4	Confident	86	Confident	45 Å²	45	30.2 Å²	30.2	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-34.8	174	-71.2	175.2	0	0	0	112.4	M9 V35 P36 G41 P61 Q64 I65	M9-L39 VanDerWaalsContact O-CD1 3.26Å; M9-L39 WeakPolarHBondContact O-CD1 3.31Å; V35-L39 HydrophobicContact CG1-CD1 4.08Å; V35-L39 WeakPolarHBondContact O-CG 3.37Å; V35-L39 PolarHBondContact O-N 2.75Å; P36-L39 PolarHBondContact O-N 2.91Å; L39-G41 PolarHBondContact O-N 3.03Å; L39-P61 HydrophobicContact CD2-CB 3.72Å; L39-P61 HydrophobicContact CG-CB 3.75Å; L39-Q64 HydrophobicContact CD2-CB 4.31Å; L39-Q64 HydrophobicContact CD2-CG 4.14Å; L39-I65 HydrophobicContact CD2-CD1 4.16Å; L39-I65 HydrophobicContact CD2-CG1 4.1Å
40	G	80.3	Confident	85.4	Confident	61 Å²	61	26.2 Å²	26.2	63%	0.629	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.7	174.4	0	0	0	0	0	115.3	P36 L37 I38	P36-G40 PolarHBondContact O-N 2.88Å; L37-G40 PolarHBondContact O-N 2.99Å; I38-G40 PolarHBondContact O-N 2.93Å
41	G	80.8	Confident	84.5	Confident	23 Å²	23	29.4 Å²	29.4	24%	0.237	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	12	177.7	0	0	0	0	0	115.2	L37 I38 L39 R402	L37-G41 PolarHBondContact O-N 3.28Å; I38-G41 PolarHBondContact O-N 3.36Å; L39-G41 PolarHBondContact O-N 3.03Å; G41-R402 PolarHBondContact O-NH1 3.42Å
42	G	78.7	Confident	83.9	Confident	21 Å²	21	30.8 Å²	30.8	22%	0.216	21%	0.209	C	C	.	.			trans	-79.1	148	177	0	0	0	0	0	112.9	L37 Q404	L37-G42 PolarHBondContact O-N 3.41Å; G42-Q404 WeakPolarHBondContact O-CG 3.24Å; G42-Q404 PolarHBondContact O-NE2 2.99Å
43	D	92	Very high	83.8	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	20%	0.202	C	C	.	.			trans	-69.6	142	166.6	-81.6	1.3	0	0	0	108.3	R402 Q404 M405 M425 H426 P428 V429	D43-R402 VanDerWaalsContact CB-NH2 3.35Å; D43-R402 IonicContact OD1-CZ 3.2Å; D43-R402 IonicContact OD1-NE 3.93Å; D43-R402 IonicContact OD1-NH2 2.62Å; D43-R402 PolarHBondContact OD1-NH2 2.95Å; D43-R402 IonicContact OD2-CZ 3.62Å; D43-R402 IonicContact OD2-NH2 2.76Å; D43-R402 PolarHBondContact OD2-NH2 3.05Å; D43-Q404 WeakPolarHBondContact OD1-CA 3.42Å; D43-M405 VanDerWaalsContact CA-O 3.3Å; D43-M405 WeakPolarHBondContact CA-O 3.38Å; D43-M405 WeakPolarHBondContact CB-O 3.4Å; D43-M405 PolarHBondContact OD1-N 2.9Å; D43-M425 HydrophobicContact CB-CB 4.23Å; D43-M425 HydrophobicContact CB-CE 3.82Å; D43-M425 VanDerWaalsContact OD2-CA 3.29Å; D43-M425 WeakPolarHBondContact OD2-CA 3.34Å; D43-M425 WeakPolarHBondContact OD2-CB 3.4Å; D43-H426 PolarHBondContact OD2-N 3.33Å; D43-P428 HydrophobicContact CB-CB 4.24Å; D43-P428 CarbonylContact O-C 3.48Å; D43-P428 WeakPolarHBondContact O-CA 3.29Å; D43-V429 PolarHBondContact O-N 3.07Å
44	V	94.1	Very high	83.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126	-177.3	176.2	0	0	0	0	109.8	A34 L37 I38 M46 M405 I406 V407 M425 I431	A34-V44 HydrophobicContact CB-CG1 4.44Å; L37-V44 HydrophobicContact CB-CG2 3.85Å; I38-V44 HydrophobicContact CG1-CB 4.13Å; I38-V44 HydrophobicContact CG1-CG2 3.7Å; V44-M46 HydrophobicContact CG1-CB 4.26Å; V44-M405 PolarHBondContact N-O 3.39Å; V44-M405 VanDerWaalsContact N-O 3.11Å; V44-I406 CarbonylContact O-C 3.58Å; V44-I406 WeakPolarHBondContact O-CA 3.43Å; V44-V407 PolarHBondContact O-N 2.96Å; V44-M425 VanDerWaalsContact O-CE 3.31Å; V44-M425 WeakPolarHBondContact O-CE 3.41Å; V44-I431 HydrophobicContact CG1-CD1 3.53Å; V44-I431 HydrophobicContact CG1-CG1 4.21Å
45	L	93.7	Very high	83.9	Confident	0 Å²	0	26 Å²	26	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.7	173.2	-178	67.9	0	0	0	107.6	V407 L412 V417 A421 M425 P428 V429 W430 I431	L45-V407 CarbonylContact C-O 3.32Å; L45-V407 WeakPolarHBondContact CA-O 3.45Å; L45-V407 HydrophobicContact CD1-CB 3.48Å; L45-V407 VanDerWaalsContact CD1-CB 3.48Å; L45-V407 HydrophobicContact CD1-CG1 3.41Å; L45-V407 VanDerWaalsContact CD1-CG1 3.41Å; L45-L412 HydrophobicContact CD1-CD2 3.31Å; L45-L412 HydrophobicContact CD2-CD1 4.35Å; L45-L412 HydrophobicContact CD2-CD2 3.93Å; L45-L412 HydrophobicContact CG-CD1 3.89Å; L45-L412 HydrophobicContact CG-CD2 3.34Å; L45-L412 HydrophobicContact CG-CG 4.21Å; L45-V417 HydrophobicContact CD1-CG1 4.14Å; L45-A421 HydrophobicContact CD1-CB 4.39Å; L45-A421 HydrophobicContact CD2-CB 3.79Å; L45-M425 HydrophobicContact CB-CE 4.1Å; L45-M425 HydrophobicContact CB-SD 4.4Å; L45-M425 HydrophobicContact CD1-SD 4.32Å; L45-P428 HydrophobicContact CB-CB 4.4Å; L45-V429 PolarHBondContact N-O 2.89Å; L45-W430 HydrophobicContact CD2-CD2 3.81Å; L45-W430 HydrophobicContact CD2-CE3 4.1Å; L45-W430 HydrophobicContact CD2-CG 4.42Å; L45-W430 HydrophobicContact CD2-CH2 3.97Å; L45-W430 HydrophobicContact CD2-CZ2 3.64Å; L45-W430 HydrophobicContact CD2-CZ3 4.17Å; L45-W430 WeakPolarHBondContact O-CA 3.3Å; L45-I431 PolarHBondContact O-N 3.36Å
46	M	92.5	Very high	84	Confident	0 Å²	0	26 Å²	26	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.2	-171.7	62.4	178.7	176.6	0	0	114.7	I30 A34 V44 A57 F58 I406 V407 C408 S409 I431	I30-M46 HydrophobicContact CD1-CB 3.84Å; I30-M46 HydrophobicContact CD1-CG 4.46Å; I30-M46 HydrophobicContact CD1-SD 4.12Å; I30-M46 HydrophobicContact CG1-SD 3.99Å; A34-M46 HydrophobicContact CB-SD 3.83Å; V44-M46 HydrophobicContact CG1-CB 4.26Å; M46-A57 HydrophobicContact CE-CB 4.11Å; M46-A57 HydrophobicContact SD-CB 4.19Å; M46-F58 HydrophobicContact CE-CB 3.83Å; M46-F58 HydrophobicContact CE-CD1 3.77Å; M46-F58 HydrophobicContact CE-CG 4.3Å; M46-I406 HydrophobicContact CE-CG2 4.33Å; M46-V407 PolarHBondContact N-O 3.13Å; M46-C408 HydrophobicContact CE-CB 4.22Å; M46-C408 WeakPolarHBondContact CE-SG 3.4Å; M46-C408 HydrophobicContact CG-CB 4.27Å; M46-C408 WeakPolarHBondContact O-CA 3.12Å; M46-S409 PolarHBondContact O-N 2.96Å; M46-S409 VanDerWaalsContact O-N 3.1Å; M46-I431 CarbonylContact C-O 3.45Å; M46-I431 VanDerWaalsContact CA-O 3.28Å; M46-I431 WeakPolarHBondContact CA-O 3.27Å; M46-I431 HydrophobicContact CB-CB 4.06Å
47	A	85.9	Confident	84.4	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.1	170.3	0	0	0	0	0	111	S409 L412 I431 D432 L433 K434	A47-S409 VanDerWaalsContact CA-O 3.27Å; A47-S409 WeakPolarHBondContact CA-O 3.28Å; A47-L412 HydrophobicContact CB-CB 4.05Å; A47-L412 HydrophobicContact CB-CD1 3.61Å; A47-L412 HydrophobicContact CB-CG 3.42Å; A47-L412 VanDerWaalsContact CB-CG 3.42Å; A47-I431 PolarHBondContact N-O 3.08Å; A47-D432 WeakPolarHBondContact CB-OD1 3.19Å; A47-L433 PolarHBondContact O-N 3.47Å; A47-L433 VanDerWaalsContact O-N 3.07Å; A47-K434 HydrophobicContact CB-CB 4.43Å
48	A	76.9	Confident	84.9	Confident	3 Å²	3	20.9 Å²	20.9	3%	0.025	16%	0.157	C	C	.	.			trans	-154.2	162.2	166.1	0	0	0	0	0	108.9	I30 S52 K54	I30-A48 HydrophobicContact CB-CB 4.25Å; I30-A48 HydrophobicContact CD1-CB 4.13Å; I30-A48 HydrophobicContact CG1-CB 4.02Å; A48-S52 WeakPolarHBondContact CB-OG 3.44Å; A48-K54 HydrophobicContact CB-CD 4.15Å; A48-K54 HydrophobicContact CB-CG 4.04Å; A48-K54 PolarHBondContact O-NZ 2.94Å
49	E	69.5	Low	85.2	Confident	97 Å²	97	21 Å²	21	45%	0.453	16%	0.158	S	C	.	.			trans	-61.7	164.4	177.6	-60.9	-173.2	163.6	0	0	112.6	G51 S52 K54 K434	E49-G51 PolarHBondContact O-N 2.79Å; E49-S52 WeakPolarHBondContact O-CB 3.33Å; E49-S52 PolarHBondContact O-N 3.48Å; E49-S52 PolarHBondContact O-OG 2.78Å; E49-K54 PolarHBondContact O-NZ 3.32Å; E49-K434 HydrophobicContact CG-CG 4.46Å
50	T	70.2	Confident	85.6	Confident	37 Å²	37	18.9 Å²	18.9	23%	0.227	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	134.2	172.2	50.5	0	0	0	0	110.5	S52 R612	T50-S52 VanDerWaalsContact C-N 3.34Å; T50-R612 PolarHBondContact OG1-NH2 3.49Å
51	G	68.1	Low	86.3	Confident	68 Å²	68	16 Å²	16	70%	0.701	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-0.2	-179.4	0	0	0	0	0	114.9	E49 G53	E49-G51 PolarHBondContact O-N 2.79Å; G51-G53 PolarHBondContact O-N 2.94Å; G51-G53 VanDerWaalsContact O-N 3.16Å
52	S	76.5	Confident	87.1	Confident	31 Å²	31	15 Å²	15	22%	0.217	11%	0.106	C	C	.	.	S	Bend	trans	-72.1	-0.2	177.7	65.2	0	0	0	0	115	T28 I30 A48 E49 T50 K54	T28-S52 VanDerWaalsContact CB-O 3.32Å; T28-S52 WeakPolarHBondContact CB-O 3.45Å; T28-S52 WeakPolarHBondContact CG2-O 3.47Å; T28-S52 PolarHBondContact OG1-O 2.79Å; T28-S52 VanDerWaalsContact OG1-O 3.04Å; I30-S52 WeakPolarHBondContact CG2-O 3.19Å; A48-S52 WeakPolarHBondContact CB-OG 3.44Å; E49-S52 WeakPolarHBondContact O-CB 3.33Å; E49-S52 PolarHBondContact O-N 3.48Å; E49-S52 PolarHBondContact O-OG 2.78Å; T50-S52 VanDerWaalsContact C-N 3.34Å; S52-K54 WeakPolarHBondContact OG-CG 3.41Å
53	G	83.9	Confident	87.9	Confident	14 Å²	14	14 Å²	14	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	94	11	-179.1	0	0	0	0	0	115.9	Q31 G51 T55 G56 A57	Q31-G53 PolarHBondContact NE2-O 2.79Å; Q31-G53 VanDerWaalsContact NE2-O 3.11Å; G51-G53 PolarHBondContact O-N 2.94Å; G51-G53 VanDerWaalsContact O-N 3.16Å; G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.07Å; G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.35Å; G53-A57 PolarHBondContact O-N 3.3Å
54	K	88.7	Confident	88.1	Confident	10 Å²	10	14.6 Å²	14.6	4%	0.043	10%	0.099	C	C	.	.	H	α-helix	trans	-47.6	-45.6	178.3	-63.9	-166	-67.3	-89.5	0	114.1	I30 A48 E49 S52 G56 A57 F58 C408	I30-K54 HydrophobicContact CG1-CG 4.39Å; A48-K54 HydrophobicContact CB-CD 4.15Å; A48-K54 HydrophobicContact CB-CG 4.04Å; A48-K54 PolarHBondContact O-NZ 2.94Å; E49-K54 PolarHBondContact O-NZ 3.32Å; S52-K54 WeakPolarHBondContact OG-CG 3.41Å; K54-G56 VanDerWaalsContact C-N 3.29Å; K54-G56 PolarHBondContact O-N 3.38Å; K54-A57 WeakPolarHBondContact O-CA 3.48Å; K54-A57 VanDerWaalsContact O-CB 3.27Å; K54-A57 WeakPolarHBondContact O-CB 3.21Å; K54-A57 PolarHBondContact O-N 3.31Å; K54-F58 WeakPolarHBondContact O-CD1 2.99Å; K54-F58 PolarHBondContact O-N 3.11Å; K54-C408 HydrophobicContact CD-CB 4.48Å
55	T	91.7	Very high	88	Confident	26 Å²	26	15.1 Å²	15.1	16%	0.16	10%	0.102	C	C	.	.	H	α-helix	trans	-58.1	-42.3	179.1	-47	0	0	0	0	111.5	G53 F58 C59 T304 Q307	G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.07Å; T55-F58 HydrophobicContact CG2-CE1 4.45Å; T55-F58 HydrophobicContact CG2-CZ 4.22Å; T55-C59 WeakPolarHBondContact O-CB 3.37Å; T55-C59 PolarHBondContact O-N 2.81Å; T55-C59 PolarHBondContact O-SG 3.31Å; T55-T304 HydrophobicContact CG2-CG2 4.2Å; T55-Q307 HydrophobicContact CG2-CB 4.09Å; T55-Q307 HydrophobicContact CG2-CG 4.17Å
56	G	92.2	Very high	88	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-39.5	173.6	0	0	0	0	0	112.6	G53 K54 F58 C59 L60	G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.35Å; K54-G56 VanDerWaalsContact C-N 3.29Å; K54-G56 PolarHBondContact O-N 3.38Å; G56-F58 VanDerWaalsContact C-N 3.31Å; G56-F58 PolarHBondContact O-N 2.62Å; G56-C59 PolarHBondContact O-N 2.71Å; G56-L60 WeakPolarHBondContact O-CB 3.35Å; G56-L60 WeakPolarHBondContact O-CD1 3.27Å; G56-L60 VanDerWaalsContact O-CG 3.26Å; G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 3.47Å; G56-L60 VanDerWaalsContact O-N 3.12Å
57	A	93.7	Very high	88.1	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-37.7	-177.1	0	0	0	0	0	112.9	I30 Q31 A34 V35 M46 G53 K54 P61	I30-A57 HydrophobicContact CG1-CB 4.48Å; I30-A57 HydrophobicContact CG2-CB 4.36Å; Q31-A57 HydrophobicContact CB-CB 4.44Å; Q31-A57 HydrophobicContact CG-CB 3.85Å; A34-A57 HydrophobicContact CB-CB 4.06Å; V35-A57 WeakPolarHBondContact CG2-O 3.22Å; M46-A57 HydrophobicContact CE-CB 4.11Å; M46-A57 HydrophobicContact SD-CB 4.19Å; G53-A57 PolarHBondContact O-N 3.3Å; K54-A57 WeakPolarHBondContact O-CA 3.48Å; K54-A57 VanDerWaalsContact O-CB 3.27Å; K54-A57 WeakPolarHBondContact O-CB 3.21Å; K54-A57 PolarHBondContact O-N 3.31Å; A57-P61 VanDerWaalsContact O-CD 3.29Å; A57-P61 WeakPolarHBondContact O-CD 3.24Å; A57-P61 VanDerWaalsContact O-CG 3.28Å; A57-P61 WeakPolarHBondContact O-CG 3.34Å
58	F	95.7	Very high	88.3	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-95.7	-35.4	173.7	73.9	-101.2	0	0	0	114.3	I38 M46 K54 T55 G56 P61 V62 I293 T304 V370 D372 I406	I38-F58 HydrophobicContact CD1-CB 4.15Å; M46-F58 HydrophobicContact CE-CB 3.83Å; M46-F58 HydrophobicContact CE-CD1 3.77Å; M46-F58 HydrophobicContact CE-CG 4.3Å; K54-F58 WeakPolarHBondContact O-CD1 2.99Å; K54-F58 PolarHBondContact O-N 3.11Å; T55-F58 HydrophobicContact CG2-CE1 4.45Å; T55-F58 HydrophobicContact CG2-CZ 4.22Å; G56-F58 VanDerWaalsContact C-N 3.31Å; G56-F58 PolarHBondContact O-N 2.62Å; F58-P61 WeakPolarHBondContact O-CD 3.25Å; F58-P61 WeakPolarHBondContact O-CG 3.25Å; F58-V62 VanDerWaalsContact O-CB 3.32Å; F58-V62 WeakPolarHBondContact O-CB 3.49Å; F58-V62 WeakPolarHBondContact O-CG2 3.46Å; F58-V62 PolarHBondContact O-N 2.93Å; F58-I293 HydrophobicContact CE2-CD1 4.05Å; F58-I293 HydrophobicContact CE2-CG1 4.32Å; F58-I293 HydrophobicContact CE2-CG2 4.11Å; F58-I293 HydrophobicContact CZ-CG2 4.35Å; F58-T304 HydrophobicContact CE2-CG2 4.25Å; F58-T304 HydrophobicContact CZ-CG2 4.03Å; F58-V370 HydrophobicContact CD2-CG1 3.79Å; F58-V370 HydrophobicContact CE2-CG1 3.91Å; F58-V370 HydrophobicContact CG-CG1 4.13Å; F58-V370 HydrophobicContact CZ-CG1 4.35Å; F58-D372 HydrophobicContact CE1-CB 4.28Å; F58-D372 WeakPolarHBondContact CE1-OD2 3.29Å; F58-D372 HydrophobicContact CZ-CB 4.34Å; F58-I406 HydrophobicContact CB-CD1 4.37Å; F58-I406 HydrophobicContact CB-CG2 3.81Å
59	C	96.9	Very high	88.7	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-40.7	-175.5	-74.6	0	0	0	0	112.6	T55 G56 L63 I308 F311	T55-C59 WeakPolarHBondContact O-CB 3.37Å; T55-C59 PolarHBondContact O-N 2.81Å; T55-C59 PolarHBondContact O-SG 3.31Å; G56-C59 PolarHBondContact O-N 2.71Å; C59-L63 WeakPolarHBondContact O-CB 3.04Å; C59-L63 PolarHBondContact O-N 3.39Å; C59-I308 HydrophobicContact CB-CG1 4.37Å; C59-F311 HydrophobicContact CB-CD2 3.74Å; C59-F311 HydrophobicContact CB-CE2 3.71Å
60	L	96.1	Very high	89.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-55.5	-177.8	-67.3	170.6	0	0	0	112.6	F5 L15 V19 G56 V62 L63 Q64 F311	F5-L60 HydrophobicContact CD1-CD1 3.92Å; F5-L60 HydrophobicContact CE1-CD1 3.63Å; L15-L60 HydrophobicContact CB-CD2 4.47Å; V19-L60 HydrophobicContact CG2-CD1 4.06Å; V19-L60 HydrophobicContact CG2-CD2 3.54Å; V19-L60 HydrophobicContact CG2-CG 4.45Å; G56-L60 WeakPolarHBondContact O-CB 3.35Å; G56-L60 WeakPolarHBondContact O-CD1 3.27Å; G56-L60 VanDerWaalsContact O-CG 3.26Å; G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 3.47Å; G56-L60 VanDerWaalsContact O-N 3.12Å; L60-V62 PolarHBondContact O-N 3.1Å; L60-L63 PolarHBondContact O-N 3.26Å; L60-Q64 WeakPolarHBondContact O-CB 3.13Å; L60-Q64 PolarHBondContact O-N 3.41Å; L60-F311 HydrophobicContact CD2-CB 4.06Å; L60-F311 HydrophobicContact CD2-CD1 3.87Å; L60-F311 HydrophobicContact CD2-CD2 4.2Å; L60-F311 HydrophobicContact CD2-CE1 4.35Å; L60-F311 HydrophobicContact CD2-CG 3.79Å
61	P	95.4	Very high	90.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-35.6	-179.3	28.6	-38.2	0	0	0	112.8	V35 I38 L39 A57 F58 Q64 I65	V35-P61 HydrophobicContact CG1-CB 4.34Å; V35-P61 HydrophobicContact CG1-CG 4.47Å; V35-P61 HydrophobicContact CG2-CG 4.48Å; I38-P61 HydrophobicContact CB-CB 3.85Å; I38-P61 HydrophobicContact CB-CG 3.67Å; I38-P61 HydrophobicContact CD1-CG 3.83Å; I38-P61 HydrophobicContact CG1-CG 4.36Å; I38-P61 HydrophobicContact CG2-CB 3.66Å; I38-P61 HydrophobicContact CG2-CG 3.6Å; L39-P61 HydrophobicContact CD2-CB 3.72Å; L39-P61 HydrophobicContact CG-CB 3.75Å; A57-P61 VanDerWaalsContact O-CD 3.29Å; A57-P61 WeakPolarHBondContact O-CD 3.24Å; A57-P61 VanDerWaalsContact O-CG 3.28Å; A57-P61 WeakPolarHBondContact O-CG 3.34Å; F58-P61 WeakPolarHBondContact O-CD 3.25Å; F58-P61 WeakPolarHBondContact O-CG 3.25Å; P61-Q64 PolarHBondContact O-N 3.14Å; P61-I65 WeakPolarHBondContact O-CG1 3.37Å; P61-I65 PolarHBondContact O-N 2.88Å
62	V	96.3	Very high	91.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-48	174.1	169.2	0	0	0	0	110.6	F58 L60 Q64 I65 V66 A291 F368 V370 I406	F58-V62 VanDerWaalsContact O-CB 3.32Å; F58-V62 WeakPolarHBondContact O-CB 3.49Å; F58-V62 WeakPolarHBondContact O-CG2 3.46Å; F58-V62 PolarHBondContact O-N 2.93Å; L60-V62 PolarHBondContact O-N 3.1Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.04Å; V62-I65 PolarHBondContact O-N 2.7Å; V62-V66 HydrophobicContact CG1-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CB 3.21Å; V62-V66 VanDerWaalsContact O-CG2 3.23Å; V62-V66 WeakPolarHBondContact O-CG2 3.36Å; V62-V66 PolarHBondContact O-N 3.22Å; V62-A291 HydrophobicContact CG1-CB 3.63Å; V62-F368 HydrophobicContact CG1-CB 4.36Å; V62-F368 HydrophobicContact CG1-CD2 4.1Å; V62-F368 HydrophobicContact CG1-CG 4.13Å; V62-F368 HydrophobicContact CG2-CB 4.45Å; V62-F368 HydrophobicContact CG2-CD1 3.76Å; V62-F368 HydrophobicContact CG2-CE1 4.05Å; V62-F368 HydrophobicContact CG2-CG 4.04Å; V62-V370 HydrophobicContact CG2-CG2 4.5Å; V62-I406 HydrophobicContact CG2-CD1 3.54Å
63	L	96.7	Very high	91.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-38.9	-179.4	-178.3	62.9	0	0	0	111.8	L15 C59 L60 Y67 F311 K312 L315 P320 I344	L15-L63 HydrophobicContact CD2-CD2 3.57Å; L15-L63 HydrophobicContact CD2-CG 4.17Å; C59-L63 WeakPolarHBondContact O-CB 3.04Å; C59-L63 PolarHBondContact O-N 3.39Å; L60-L63 PolarHBondContact O-N 3.26Å; L63-Y67 VanDerWaalsContact O-CB 3.3Å; L63-Y67 WeakPolarHBondContact O-CB 3.27Å; L63-Y67 PolarHBondContact O-N 2.71Å; L63-F311 HydrophobicContact CD2-CB 3.78Å; L63-K312 HydrophobicContact CD1-CB 4.04Å; L63-K312 HydrophobicContact CD2-CB 3.64Å; L63-K312 HydrophobicContact CG-CB 4.38Å; L63-L315 HydrophobicContact CD1-CD1 4.05Å; L63-L315 HydrophobicContact CD2-CD1 3.99Å; L63-L315 HydrophobicContact CG-CD1 3.68Å; L63-P320 HydrophobicContact CD1-CB 3.94Å; L63-P320 HydrophobicContact CD1-CG 3.89Å; L63-I344 HydrophobicContact CD1-CD1 3.67Å
64	Q	95.6	Very high	91	Very high	12 Å²	12	24.7 Å²	24.7	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-53.3	173.4	176.5	160.8	-30	0	0	111.6	G10 V11 L12 L15 L39 L60 P61 V62 V66 Y67 E68	G10-Q64 PolarHBondContact O-NE2 3.11Å; G10-Q64 VanDerWaalsContact O-NE2 3.1Å; V11-Q64 VanDerWaalsContact CA-OE1 3.32Å; L12-Q64 HydrophobicContact CD1-CG 3.81Å; L12-Q64 HydrophobicContact CG-CG 3.88Å; L15-Q64 HydrophobicContact CD1-CB 3.75Å; L39-Q64 HydrophobicContact CD2-CB 4.31Å; L39-Q64 HydrophobicContact CD2-CG 4.14Å; L60-Q64 WeakPolarHBondContact O-CB 3.13Å; L60-Q64 PolarHBondContact O-N 3.41Å; P61-Q64 PolarHBondContact O-N 3.14Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.04Å; Q64-V66 VanDerWaalsContact C-N 3.33Å; Q64-V66 PolarHBondContact O-N 3.49Å; Q64-Y67 WeakPolarHBondContact O-CB 3.46Å; Q64-Y67 PolarHBondContact O-N 2.71Å; Q64-Y67 VanDerWaalsContact O-N 3.13Å; Q64-E68 HydrophobicContact CG-CG 4.47Å; Q64-E68 VanDerWaalsContact CG-OE1 3.3Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.35Å; Q64-E68 PolarHBondContact NE2-OE1 3.26Å; Q64-E68 WeakPolarHBondContact O-CG 3.4Å; Q64-E68 PolarHBondContact O-N 3.05Å
65	I	91.4	Very high	90.3	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.062	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-177.7	-66.6	169.8	0	0	0	111.1	L39 P61 V62 T69 F368	L39-I65 HydrophobicContact CD2-CD1 4.16Å; L39-I65 HydrophobicContact CD2-CG1 4.1Å; P61-I65 WeakPolarHBondContact O-CG1 3.37Å; P61-I65 PolarHBondContact O-N 2.88Å; V62-I65 PolarHBondContact O-N 2.7Å; I65-T69 VanDerWaalsContact O-CB 3.28Å; I65-T69 WeakPolarHBondContact O-CB 3.13Å; I65-T69 PolarHBondContact O-N 3.41Å; I65-T69 PolarHBondContact O-OG1 2.83Å; I65-F368 HydrophobicContact CB-CE2 3.87Å; I65-F368 HydrophobicContact CB-CZ 3.69Å; I65-F368 HydrophobicContact CD1-CE1 4.23Å; I65-F368 HydrophobicContact CD1-CZ 3.57Å; I65-F368 HydrophobicContact CG1-CZ 4.2Å; I65-F368 HydrophobicContact CG2-CE2 3.64Å; I65-F368 HydrophobicContact CG2-CZ 3.62Å
66	V	93.2	Very high	89	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-48.2	172.7	167.2	0	0	0	0	110.4	V62 Q64 T69 L70 L290 A291 P320 D343 I344 F368	V62-V66 HydrophobicContact CG1-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CB 3.21Å; V62-V66 VanDerWaalsContact O-CG2 3.23Å; V62-V66 WeakPolarHBondContact O-CG2 3.36Å; V62-V66 PolarHBondContact O-N 3.22Å; Q64-V66 VanDerWaalsContact C-N 3.33Å; Q64-V66 PolarHBondContact O-N 3.49Å; V66-T69 WeakPolarHBondContact O-CB 3.29Å; V66-T69 PolarHBondContact O-N 2.9Å; V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 VanDerWaalsContact O-CG 3.24Å; V66-L70 WeakPolarHBondContact O-CG 3.46Å; V66-L70 PolarHBondContact O-N 3.38Å; V66-L290 HydrophobicContact CG1-CD1 4.11Å; V66-L290 HydrophobicContact CG2-CB 3.96Å; V66-A291 HydrophobicContact CG2-CB 4.18Å; V66-P320 HydrophobicContact CG1-CB 4.15Å; V66-P320 HydrophobicContact CG1-CG 4.5Å; V66-D343 HydrophobicContact CG1-CB 4.01Å; V66-I344 HydrophobicContact CB-CD1 4.41Å; V66-I344 HydrophobicContact CG1-CD1 4.22Å; V66-I344 HydrophobicContact CG1-CG1 4.08Å; V66-I344 HydrophobicContact CG2-CD1 4.33Å; V66-I344 HydrophobicContact CG2-CG1 4.23Å; V66-F368 HydrophobicContact CG2-CD2 4.47Å
67	Y	94.7	Very high	87.5	Confident	7 Å²	7	37 Å²	37	3%	0.027	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-46.3	179	177.1	-114.5	0	0	0	113	L12 L63 Q64 T69 L70 K71 L315 K316 P318 P320	L12-Y67 HydrophobicContact CD1-CD1 3.69Å; L12-Y67 HydrophobicContact CD1-CE1 4.1Å; L63-Y67 VanDerWaalsContact O-CB 3.3Å; L63-Y67 WeakPolarHBondContact O-CB 3.27Å; L63-Y67 PolarHBondContact O-N 2.71Å; Q64-Y67 WeakPolarHBondContact O-CB 3.46Å; Q64-Y67 PolarHBondContact O-N 2.71Å; Q64-Y67 VanDerWaalsContact O-N 3.13Å; Y67-T69 VanDerWaalsContact C-N 3.33Å; Y67-T69 PolarHBondContact O-N 2.95Å; Y67-L70 PolarHBondContact O-N 3.48Å; Y67-K71 HydrophobicContact CE1-CD 3.97Å; Y67-K71 HydrophobicContact CE2-CG 4.47Å; Y67-K71 PolarHBondContact O-N 3.15Å; Y67-K71 WeakPolarHBondContact OH-CE 3.49Å; Y67-K71 PolarHBondContact OH-NZ 3.19Å; Y67-L315 HydrophobicContact CD1-CD2 3.77Å; Y67-L315 HydrophobicContact CD2-CB 4.12Å; Y67-L315 HydrophobicContact CD2-CD1 4.36Å; Y67-L315 HydrophobicContact CD2-CD2 4.32Å; Y67-L315 HydrophobicContact CE1-CD2 3.8Å; Y67-L315 HydrophobicContact CE2-CB 4.1Å; Y67-L315 HydrophobicContact CE2-CD2 4.36Å; Y67-L315 HydrophobicContact CG-CD1 4.11Å; Y67-L315 HydrophobicContact CG-CD2 4.01Å; Y67-L315 HydrophobicContact CG-CG 4.47Å; Y67-K316 WeakPolarHBondContact CE2-O 3.48Å; Y67-K316 PolarHBondContact OH-O 3.28Å; Y67-P318 VanDerWaalsContact CD2-O 3.27Å; Y67-P318 WeakPolarHBondContact CD2-O 3.09Å; Y67-P318 WeakPolarHBondContact CE2-O 3.46Å; Y67-P320 HydrophobicContact CD2-CG 4.15Å
68	E	90.1	Very high	85.3	Confident	78 Å²	78	44.1 Å²	44.1	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-42.3	176.5	-71.4	170.2	179.2	0	0	111.4	Q64 L70 K71 L72	Q64-E68 HydrophobicContact CG-CG 4.47Å; Q64-E68 VanDerWaalsContact CG-OE1 3.3Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.35Å; Q64-E68 PolarHBondContact NE2-OE1 3.26Å; Q64-E68 WeakPolarHBondContact O-CG 3.4Å; Q64-E68 PolarHBondContact O-N 3.05Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.03Å; E68-K71 PolarHBondContact O-N 3.19Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.15Å
69	T	87	Confident	82.6	Confident	23 Å²	23	48.7 Å²	48.7	14%	0.141	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174.8	-58.3	0	0	0	0	111	I65 V66 Y67 L72 L73 L290	I65-T69 VanDerWaalsContact O-CB 3.28Å; I65-T69 WeakPolarHBondContact O-CB 3.13Å; I65-T69 PolarHBondContact O-N 3.41Å; I65-T69 PolarHBondContact O-OG1 2.83Å; V66-T69 WeakPolarHBondContact O-CB 3.29Å; V66-T69 PolarHBondContact O-N 2.9Å; Y67-T69 VanDerWaalsContact C-N 3.33Å; Y67-T69 PolarHBondContact O-N 2.95Å; T69-L72 PolarHBondContact O-N 3.2Å; T69-L73 HydrophobicContact CG2-CD1 4.28Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.41Å; T69-L73 PolarHBondContact O-N 2.94Å; T69-L290 HydrophobicContact CG2-CD1 3.86Å; T69-L290 HydrophobicContact CG2-CD2 4.21Å
70	L	88.8	Confident	79.8	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-39.7	178.3	-67.1	169.5	0	0	0	112.3	V66 Y67 E68 L73 Q74 L290 P318 P320 D343	V66-L70 HydrophobicContact CG1-CD1 3.99Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 VanDerWaalsContact O-CG 3.24Å; V66-L70 WeakPolarHBondContact O-CG 3.46Å; V66-L70 PolarHBondContact O-N 3.38Å; Y67-L70 PolarHBondContact O-N 3.48Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.03Å; L70-L73 PolarHBondContact O-N 3.01Å; L70-Q74 PolarHBondContact O-N 2.81Å; L70-L290 HydrophobicContact CD2-CD1 4.25Å; L70-L290 HydrophobicContact CG-CD1 4.32Å; L70-P318 HydrophobicContact CB-CG 3.56Å; L70-P318 HydrophobicContact CD1-CG 4.49Å; L70-P320 HydrophobicContact CD1-CB 4.18Å; L70-P320 HydrophobicContact CD1-CG 4.19Å; L70-D343 HydrophobicContact CD1-CB 4.19Å; L70-D343 WeakPolarHBondContact CD2-OD1 3.33Å
71	K	87.2	Confident	76.8	Confident	88 Å²	88	61.5 Å²	61.5	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-45.9	173.7	-87.9	-168.6	166.4	168	0	112	Y67 E68 L73 Q74 S75	Y67-K71 HydrophobicContact CE1-CD 3.97Å; Y67-K71 HydrophobicContact CE2-CG 4.47Å; Y67-K71 PolarHBondContact O-N 3.15Å; Y67-K71 WeakPolarHBondContact OH-CE 3.49Å; Y67-K71 PolarHBondContact OH-NZ 3.19Å; E68-K71 PolarHBondContact O-N 3.19Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.39Å; K71-Q74 PolarHBondContact O-N 3.38Å; K71-Q74 VanDerWaalsContact O-N 3.15Å; K71-S75 PolarHBondContact O-N 2.98Å; K71-S75 PolarHBondContact O-OG 3.14Å
72	L	81.5	Confident	73.7	Confident	109 Å²	109	69.3 Å²	69.3	57%	0.571	35%	0.351	S	S	*	.	H	α-helix	trans	-60.3	-40.9	176.4	-72.4	169.8	0	0	0	111.9	E68 T69 Q74 S75 N76	E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.15Å; T69-L72 PolarHBondContact O-N 3.2Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.85Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.32Å; L72-N76 WeakPolarHBondContact O-CB 3.42Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.82Å
73	L	79.1	Confident	70.6	Confident	44 Å²	44	74.5 Å²	74.5	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-34	176	-69.5	173.6	0	0	0	112.6	T69 L70 K71 K77 Y282	T69-L73 HydrophobicContact CG2-CD1 4.28Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.41Å; T69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 3.01Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 3.39Å; L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.12Å; L73-Y282 HydrophobicContact CD1-CD1 4Å; L73-Y282 HydrophobicContact CD1-CE1 3.58Å; L73-Y282 HydrophobicContact CD2-CD1 3.5Å; L73-Y282 HydrophobicContact CD2-CE1 3.94Å; L73-Y282 HydrophobicContact CD2-CG 4.37Å; L73-Y282 HydrophobicContact CG-CD1 4.42Å; L73-Y282 HydrophobicContact CG-CE1 4.43Å
74	Q	79.2	Confident	67.5	Low	81 Å²	81	80 Å²	80	38%	0.379	41%	0.406	S	S	.	.	H	α-helix	trans	-71.9	-42.6	176.2	-170.2	173.5	7.2	0	0	111.9	L70 K71 L72 N76 K77 Q78 P318	L70-Q74 PolarHBondContact O-N 2.81Å; K71-Q74 PolarHBondContact O-N 3.38Å; K71-Q74 VanDerWaalsContact O-N 3.15Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.85Å; Q74-N76 PolarHBondContact O-N 3.38Å; Q74-K77 PolarHBondContact O-N 3.31Å; Q74-Q78 PolarHBondContact O-N 2.8Å; Q74-P318 VanDerWaalsContact OE1-CD 3.28Å
75	S	73.6	Confident	64.3	Low	44 Å²	44	83.6 Å²	83.6	31%	0.308	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-38.4	176.6	60.3	0	0	0	0	112.1	K71 L72 K77 Q78 N79	K71-S75 PolarHBondContact O-N 2.98Å; K71-S75 PolarHBondContact O-OG 3.14Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.32Å; S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 PolarHBondContact O-N 3.31Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-Q78 VanDerWaalsContact O-N 3.09Å; S75-N79 PolarHBondContact O-N 3.03Å
76	N	65.1	Low	61.3	Low	86 Å²	86	92.6 Å²	92.6	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-25.7	176.9	-73.4	-9.7	0	0	0	113.1	L72 Q74 N79	L72-N76 WeakPolarHBondContact O-CB 3.42Å; L72-N76 PolarHBondContact O-N 3.14Å; L72-N76 PolarHBondContact O-ND2 2.82Å; Q74-N76 PolarHBondContact O-N 3.38Å; N76-N79 CarbonylContact O-C 3.6Å
77	K	59.9	Low	58.4	Low	166 Å²	166	99.5 Å²	99.5	72%	0.722	50%	0.501	S	S	*	.	H	α-helix	trans	-71.1	-32.2	171.4	-75.1	176.3	-178.4	176.2	0	112.4	L73 Q74 S75	L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.12Å; Q74-K77 PolarHBondContact O-N 3.31Å; S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 PolarHBondContact O-N 3.31Å
78	Q	47.7	Very low	55.7	Low	149 Å²	149	103.8 Å²	103.8	70%	0.696	53%	0.532	S	S	*	.	H	α-helix	trans	-79.3	-39.9	178.6	-68	179.7	-11.8	0	0	111.4	Q74 S75 K80	Q74-Q78 PolarHBondContact O-N 2.8Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-Q78 VanDerWaalsContact O-N 3.09Å; Q78-K80 PolarHBondContact O-N 3.4Å
79	N	40	Very low	53.6	Low	95 Å²	95	105.3 Å²	105.3	51%	0.508	55%	0.552	S	S	.	*			trans	-93.2	84.9	176.3	-72.9	-19.3	0	0	0	110.7	S75 N76 A81	S75-N79 PolarHBondContact O-N 3.03Å; N76-N79 CarbonylContact O-C 3.6Å; N79-A81 PolarHBondContact O-N 2.83Å
80	K	36.9	Very low	52.4	Low	203 Å²	203	105.5 Å²	105.5	88%	0.883	56%	0.558	S	S	*	*			trans	-63.5	6	169.5	-84.3	-171.6	177.7	178.9	0	114.7	Q78	Q78-K80 PolarHBondContact O-N 3.4Å
81	A	33.7	Very low	52	Low	70 Å²	70	109.4 Å²	109.4	58%	0.579	58%	0.576	S	S	*	*	S	Bend	trans	-92.3	127.3	173.8	0	0	0	0	0	109.4	N79 I83	N79-A81 PolarHBondContact O-N 2.83Å; A81-I83 PolarHBondContact O-N 2.83Å
82	N	31.3	Very low	52.2	Low	163 Å²	163	105.3 Å²	105.3	87%	0.872	56%	0.558	S	S	*	*			trans	-44.9	84.6	178.1	-72.6	-31.8	0	0	0	114.2
83	I	29.8	Very low	52.8	Low	111 Å²	111	103.4 Å²	103.4	57%	0.569	55%	0.545	S	S	*	.			trans	-104	62.3	162.7	-48.2	172.4	0	0	0	106.9	A81	A81-I83 PolarHBondContact O-N 2.83Å
84	L	31.5	Very low	53.5	Low	117 Å²	117	101.3 Å²	101.3	61%	0.613	54%	0.535	S	S	*	.	S	Bend	trans	-61.7	134.6	142.4	-77.1	160.3	0	0	0	104.5	K86	L84-K86 PolarHBondContact O-N 2.84Å
85	P	28.7	Very low	54.2	Low	88 Å²	88	98.1 Å²	98.1	57%	0.571	52%	0.52	S	S	*	.			trans	-50.7	118.7	176.6	21.3	-29.6	0	0	0	106.2	H87	P85-H87 PolarHBondContact O-N 2.82Å
86	K	27.6	Very low	54.7	Low	201 Å²	201	97.7 Å²	97.7	87%	0.874	52%	0.515	S	S	*	.			trans	-57.6	97	167.7	-79.4	-177.4	175.6	179.9	0	103.5	L84 S88	L84-K86 PolarHBondContact O-N 2.84Å; K86-S88 PolarHBondContact O-N 3.31Å
87	H	33.9	Very low	55.7	Low	145 Å²	145	97 Å²	97	67%	0.671	51%	0.507	S	S	*	.			trans	-62.2	92.8	168.2	-79.4	-67.8	0	0	0	104.6	P85 S89	P85-H87 PolarHBondContact O-N 2.82Å; H87-S89 PolarHBondContact O-N 3.4Å
88	S	36.5	Very low	57.2	Low	97 Å²	97	89.1 Å²	89.1	68%	0.678	47%	0.473	S	S	*	.			trans	-57.1	102.2	175.9	47.5	0	0	0	0	107.5	K86 G90	K86-S88 PolarHBondContact O-N 3.31Å; S88-G90 WeakPolarHBondContact O-CA 3.44Å; S88-G90 PolarHBondContact O-N 2.85Å
89	S	46.2	Very low	59.4	Low	110 Å²	110	83.7 Å²	83.7	77%	0.769	45%	0.446	S	S	*	.	S	Bend	trans	25.6	52.1	172.6	68.5	0	0	0	0	114.3	H87	H87-S89 PolarHBondContact O-N 3.4Å
90	G	61.9	Low	61.6	Low	27 Å²	27	80.8 Å²	80.8	28%	0.278	43%	0.431	S	S	.	.			trans	-65.6	147.4	-150.9	0	0	0	0	0	113.2	S88 M92	S88-G90 WeakPolarHBondContact O-CA 3.44Å; S88-G90 PolarHBondContact O-N 2.85Å; G90-M92 PolarHBondContact O-N 3.47Å
91	Q	81.9	Confident	63.5	Low	103 Å²	103	77.1 Å²	77.1	48%	0.481	42%	0.422	S	S	.	.			trans	-36.3	137.6	168.9	-169.9	-179.2	13.7	0	0	111.5	K93 N126 D246	Q91-K93 PolarHBondContact O-N 3.15Å; Q91-N126 PolarHBondContact O-ND2 3.21Å; Q91-N126 VanDerWaalsContact O-ND2 3.13Å; Q91-D246 HydrophobicContact CG-CB 4.49Å; Q91-D246 WeakPolarHBondContact CG-OD2 3.25Å
92	M	90.5	Very high	65.8	Low	2 Å²	2	75.1 Å²	75.1	1%	0.01	41%	0.405	C	S	.	.			trans	-72.1	127.2	-179.6	-172.9	151.4	174.1	0	0	109.4	G90 A125 R127 P231 F244 D246 I260	G90-M92 PolarHBondContact O-N 3.47Å; M92-A125 HydrophobicContact CE-CB 4.01Å; M92-R127 HydrophobicContact CE-CB 4.42Å; M92-R127 WeakPolarHBondContact CE-O 3.38Å; M92-R127 HydrophobicContact SD-CB 4.21Å; M92-P231 HydrophobicContact CE-CG 3.65Å; M92-F244 HydrophobicContact CB-CB 3.93Å; M92-F244 HydrophobicContact CB-CD2 4.44Å; M92-F244 HydrophobicContact CB-CG 4.33Å; M92-F244 HydrophobicContact CE-CD1 4.06Å; M92-F244 HydrophobicContact CE-CG 4.42Å; M92-F244 HydrophobicContact CG-CB 3.77Å; M92-F244 HydrophobicContact CG-CD1 4.32Å; M92-F244 HydrophobicContact CG-CD2 4.08Å; M92-F244 HydrophobicContact CG-CG 3.79Å; M92-F244 VanDerWaalsContact O-CD2 3.28Å; M92-F244 WeakPolarHBondContact O-CD2 3.34Å; M92-F244 HydrophobicContact SD-CB 4.26Å; M92-D246 PolarHBondContact N-OD2 3.1Å; M92-I260 HydrophobicContact CE-CB 4.15Å; M92-I260 HydrophobicContact CE-CD1 3.64Å; M92-I260 HydrophobicContact CE-CG1 3.6Å; M92-I260 HydrophobicContact CE-CG2 3.51Å; M92-I260 HydrophobicContact SD-CB 4.17Å; M92-I260 HydrophobicContact SD-CD1 4.5Å; M92-I260 HydrophobicContact SD-CG1 3.82Å; M92-I260 HydrophobicContact SD-CG2 3.63Å
93	K	94.2	Very high	68.5	Low	69 Å²	69	67.4 Å²	67.4	30%	0.3	36%	0.364	S	S	.	.			trans	-156.4	167.5	-174.2	64.1	-178.7	-178.6	175.6	0	112	Q91 N108 G109 L110 A125 N126	Q91-K93 PolarHBondContact O-N 3.15Å; K93-N108 VanDerWaalsContact CD-O 3.32Å; K93-N108 WeakPolarHBondContact CD-O 3.07Å; K93-G109 WeakPolarHBondContact CB-O 3.43Å; K93-L110 HydrophobicContact CB-CD2 4.32Å; K93-A125 CarbonylContact O-C 3.59Å; K93-A125 VanDerWaalsContact O-CA 3.32Å; K93-A125 WeakPolarHBondContact O-CA 3.33Å; K93-N126 PolarHBondContact N-OD1 3.36Å; K93-N126 PolarHBondContact O-N 3.47Å; K93-N126 PolarHBondContact O-OD1 3.41Å
94	L	94.8	Very high	71.2	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.1	168.9	-65	175.1	0	0	0	110.5	V96 I105 G109 C112 V233 F242 F244	L94-V96 PolarHBondContact O-N 3.39Å; L94-I105 HydrophobicContact CB-CD1 3.76Å; L94-I105 HydrophobicContact CB-CG1 4.31Å; L94-I105 HydrophobicContact CB-CG2 4.11Å; L94-I105 HydrophobicContact CD1-CG1 4.41Å; L94-G109 WeakPolarHBondContact CB-O 3.23Å; L94-G109 PolarHBondContact N-O 3.09Å; L94-C112 HydrophobicContact CD1-CB 3.54Å; L94-V233 HydrophobicContact CD1-CG1 4.45Å; L94-V233 HydrophobicContact CD2-CG1 4.23Å; L94-F242 HydrophobicContact CD1-CD2 3.75Å; L94-F242 HydrophobicContact CD1-CE2 3.87Å; L94-F242 HydrophobicContact CG-CD2 4.27Å; L94-F244 HydrophobicContact CD2-CZ 4.16Å; L94-F244 HydrophobicContact CG-CZ 4.34Å
95	N	92.4	Very high	73.9	Confident	13 Å²	13	57.1 Å²	57.1	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	112.3	-178.4	-174.2	-6.1	0	0	0	110.2	Y97 D98 R124 N126 N271 F273	N95-Y97 PolarHBondContact O-N 2.9Å; N95-Y97 VanDerWaalsContact O-N 3.11Å; N95-Y97 WeakPolarHBondContact OD1-CD2 3.47Å; N95-Y97 PolarHBondContact OD1-N 3.4Å; N95-D98 HydrophobicContact CB-CB 3.87Å; N95-D98 PolarHBondContact O-N 2.85Å; N95-R124 VanDerWaalsContact CB-O 3.29Å; N95-R124 WeakPolarHBondContact CB-O 3.46Å; N95-R124 PolarHBondContact N-O 3.36Å; N95-N126 HydrophobicContact CB-CB 4.26Å; N95-N271 VanDerWaalsContact ND2-CG 3.25Å; N95-N271 PolarHBondContact ND2-ND2 3.09Å; N95-N271 PolarHBondContact ND2-OD1 3.36Å; N95-F273 PolarHBondContact ND2-O 3Å
96	V	84.8	Confident	76.5	Confident	35 Å²	35	54.3 Å²	54.3	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-18.2	179.6	-61.6	0	0	0	0	114.4	L94 R99 I105	L94-V96 PolarHBondContact O-N 3.39Å; V96-R99 WeakPolarHBondContact O-CD 3.45Å; V96-R99 PolarHBondContact O-NE 3.4Å; V96-I105 HydrophobicContact CG1-CB 4.24Å; V96-I105 HydrophobicContact CG1-CG2 4.11Å
97	Y	85.4	Confident	78.7	Confident	71 Å²	71	49 Å²	49	28%	0.278	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-15	177.7	-52.1	-71	0	0	0	113.4	N95 A275 G400	N95-Y97 PolarHBondContact O-N 2.9Å; N95-Y97 VanDerWaalsContact O-N 3.11Å; N95-Y97 WeakPolarHBondContact OD1-CD2 3.47Å; N95-Y97 PolarHBondContact OD1-N 3.4Å; Y97-A275 HydrophobicContact CD1-CB 4.25Å; Y97-A275 HydrophobicContact CE1-CB 3.62Å; Y97-G400 VanDerWaalsContact CE1-CA 3.43Å; Y97-G400 VanDerWaalsContact CZ-CA 3.47Å; Y97-G400 WeakPolarHBondContact OH-CA 3.48Å; Y97-G400 PolarHBondContact OH-N 3.1Å
98	D	92.6	Very high	81.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	62.9	-177.3	-163.2	-0.3	0	0	0	110.7	N95 A123 R124 H158 N271 F273	N95-D98 HydrophobicContact CB-CB 3.87Å; N95-D98 PolarHBondContact O-N 2.85Å; D98-A123 VanDerWaalsContact O-CA 3.27Å; D98-A123 WeakPolarHBondContact O-CA 3.37Å; D98-R124 VanDerWaalsContact CG-NE 3.25Å; D98-R124 PolarHBondContact O-N 3.34Å; D98-R124 VanDerWaalsContact O-N 3.08Å; D98-R124 IonicContact OD1-CZ 3.74Å; D98-R124 VanDerWaalsContact OD1-CZ 3.23Å; D98-R124 IonicContact OD1-NE 2.94Å; D98-R124 PolarHBondContact OD1-NE 3.41Å; D98-R124 IonicContact OD1-NH2 3.1Å; D98-R124 PolarHBondContact OD1-NH2 3.04Å; D98-R124 IonicContact OD2-CZ 2.79Å; D98-R124 IonicContact OD2-NE 3.66Å; D98-R124 PolarHBondContact OD2-NE 3.3Å; D98-R124 IonicContact OD2-NH2 3.62Å; D98-H158 PolarHBondContact O-NE2 2.91Å; D98-H158 IonicContact OD1-CD2 2.83Å; D98-H158 IonicContact OD1-CE1 2.67Å; D98-H158 PolarHBondContact OD1-CE1 3.29Å; D98-H158 IonicContact OD1-NE2 3.33Å; D98-H158 PolarHBondContact OD1-NE2 3.19Å; D98-N271 PolarHBondContact OD2-ND2 3.34Å; D98-N271 PolarHBondContact OD2-OD1 3.46Å; D98-F273 HydrophobicContact CB-CB 3.71Å; D98-F273 HydrophobicContact CB-CD2 4.23Å; D98-F273 HydrophobicContact CB-CG 4.03Å; D98-F273 VanDerWaalsContact CG-CD2 3.45Å; D98-F273 VanDerWaalsContact OD2-CD2 3.28Å; D98-F273 WeakPolarHBondContact OD2-CD2 3.32Å
99	R	92	Very high	83.6	Confident	35 Å²	35	42.3 Å²	42.3	13%	0.132	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.4	-175.8	67.6	177.8	175.9	96	-7	111.9	V96 D101 M103 G122 A123 K395	V96-R99 WeakPolarHBondContact O-CD 3.45Å; V96-R99 PolarHBondContact O-NE 3.4Å; R99-D101 PolarHBondContact NH1-O 3.43Å; R99-M103 HydrophobicContact CB-CB 4.11Å; R99-M103 HydrophobicContact CB-CG 4.15Å; R99-M103 VanDerWaalsContact CD-O 3.29Å; R99-M103 WeakPolarHBondContact CD-O 3.13Å; R99-M103 PolarHBondContact NH1-O 3.35Å; R99-G122 CarbonylContact C-O 3.35Å; R99-G122 WeakPolarHBondContact CA-O 3.24Å; R99-G122 WeakPolarHBondContact CB-O 3.48Å; R99-A123 HydrophobicContact CB-CB 3.79Å; R99-K395 PolarHBondContact NH2-O 2.93Å
100	T	88.1	Confident	85.9	Confident	34 Å²	34	38.5 Å²	38.5	21%	0.209	22%	0.217	C	C	.	.			trans	-78.9	161.4	167.2	63.3	0	0	0	0	111.5	A102 M103 H121 G122 H158	T100-A102 VanDerWaalsContact C-N 3.35Å; T100-A102 PolarHBondContact O-N 2.64Å; T100-M103 WeakPolarHBondContact O-CB 3.36Å; T100-M103 PolarHBondContact O-N 2.96Å; T100-M103 VanDerWaalsContact O-N 3.11Å; T100-H121 WeakPolarHBondContact OG1-CA 3.4Å; T100-H121 WeakPolarHBondContact OG1-CB 3.22Å; T100-H121 PolarHBondContact OG1-ND1 2.95Å; T100-G122 PolarHBondContact N-O 3.32Å; T100-G122 PolarHBondContact OG1-N 2.88Å; T100-G122 VanDerWaalsContact OG1-N 3.07Å; T100-H158 HydrophobicContact CG2-CB 3.56Å
101	D	76.5	Confident	87.4	Confident	127 Å²	127	38 Å²	38	68%	0.679	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-39.9	-171.1	-65	-33.9	0	0	0	114.1	R99 M103 K395	R99-D101 PolarHBondContact NH1-O 3.43Å; D101-M103 VanDerWaalsContact C-N 3.34Å; D101-K395 HydrophobicContact CB-CG 4.43Å; D101-K395 WeakPolarHBondContact O-CG 3.42Å
102	A	81.6	Confident	88	Confident	28 Å²	28	33.1 Å²	33.1	23%	0.231	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	11.1	-178.3	0	0	0	0	0	114	T100 S114 H121	T100-A102 VanDerWaalsContact C-N 3.35Å; T100-A102 PolarHBondContact O-N 2.64Å; A102-S114 WeakPolarHBondContact O-CB 3.47Å; A102-S114 PolarHBondContact O-OG 2.76Å; A102-H121 WeakPolarHBondContact CB-CE1 3.33Å
103	M	87.7	Confident	88.1	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.			trans	-86.2	119.3	166.5	178.1	64	83	0	0	108.7	R99 T100 D101 I105 C112 H121 A123 V233 L235	R99-M103 HydrophobicContact CB-CB 4.11Å; R99-M103 HydrophobicContact CB-CG 4.15Å; R99-M103 VanDerWaalsContact CD-O 3.29Å; R99-M103 WeakPolarHBondContact CD-O 3.13Å; R99-M103 PolarHBondContact NH1-O 3.35Å; T100-M103 WeakPolarHBondContact O-CB 3.36Å; T100-M103 PolarHBondContact O-N 2.96Å; T100-M103 VanDerWaalsContact O-N 3.11Å; D101-M103 VanDerWaalsContact C-N 3.34Å; M103-I105 HydrophobicContact CG-CG1 4.33Å; M103-C112 HydrophobicContact SD-CB 3.84Å; M103-H121 HydrophobicContact CB-CB 4.22Å; M103-H121 VanDerWaalsContact CE-C 3.5Å; M103-H121 WeakPolarHBondContact CE-O 3.29Å; M103-A123 HydrophobicContact CE-CB 4.33Å; M103-A123 HydrophobicContact CG-CB 3.99Å; M103-V233 HydrophobicContact CE-CG1 4.25Å; M103-L235 HydrophobicContact CE-CB 4.32Å; M103-L235 HydrophobicContact CE-CD1 4Å; M103-L235 HydrophobicContact CE-CG 3.88Å; M103-L235 HydrophobicContact SD-CD1 3.86Å; M103-L235 HydrophobicContact SD-CG 4.39Å
104	A	85.9	Confident	87.9	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.017	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.8	170.6	0	0	0	0	0	110.6	C112 Q113 H426 F427	A104-C112 CarbonylContact O-C 3.54Å; A104-C112 WeakPolarHBondContact O-CA 3.14Å; A104-C112 WeakPolarHBondContact O-CB 3.29Å; A104-Q113 HydrophobicContact CB-CG 3.98Å; A104-Q113 PolarHBondContact N-O 2.91Å; A104-Q113 PolarHBondContact O-N 2.94Å; A104-H426 HydrophobicContact CB-CB 3.6Å; A104-F427 HydrophobicContact CB-CE2 4.22Å
105	I	88.8	Confident	87.3	Confident	11 Å²	11	32.6 Å²	32.6	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136	178.3	-63.5	169	0	0	0	106.9	L94 V96 M103 L111 C112 A123	L94-I105 HydrophobicContact CB-CD1 3.76Å; L94-I105 HydrophobicContact CB-CG1 4.31Å; L94-I105 HydrophobicContact CB-CG2 4.11Å; L94-I105 HydrophobicContact CD1-CG1 4.41Å; V96-I105 HydrophobicContact CG1-CB 4.24Å; V96-I105 HydrophobicContact CG1-CG2 4.11Å; M103-I105 HydrophobicContact CG-CG1 4.33Å; I105-L111 CarbonylContact C-O 3.57Å; I105-L111 WeakPolarHBondContact CA-O 3.4Å; I105-C112 HydrophobicContact CG1-CB 3.96Å; I105-A123 HydrophobicContact CD1-CB 3.98Å
106	D	82.6	Confident	86.7	Confident	29 Å²	29	34.7 Å²	34.7	16%	0.155	19%	0.192	C	C	.	.			trans	-69.6	170.9	179.1	79.3	-28.6	0	0	0	112.8	N108 G109 L110 L111	D106-N108 PolarHBondContact O-N 3.46Å; D106-G109 PolarHBondContact O-N 2.8Å; D106-G109 WeakPolarHBondContact OD1-CA 3.24Å; D106-G109 PolarHBondContact OD1-N 3.24Å; D106-L110 PolarHBondContact OD1-N 3.1Å; D106-L111 HydrophobicContact CB-CB 4Å; D106-L111 PolarHBondContact N-O 2.69Å; D106-L111 PolarHBondContact OD1-N 3.17Å
107	A	75	Confident	86.3	Confident	90 Å²	90	37.5 Å²	37.5	74%	0.744	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.9	-177.2	0	0	0	0	0	113.3	G109	A107-G109 VanDerWaalsContact C-N 3.29Å
108	N	83.8	Confident	85.9	Confident	100 Å²	100	36.6 Å²	36.6	54%	0.535	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.4	177.4	-61.1	-44.2	0	0	0	112.4	K93 D106 L110	K93-N108 VanDerWaalsContact CD-O 3.32Å; K93-N108 WeakPolarHBondContact CD-O 3.07Å; D106-N108 PolarHBondContact O-N 3.46Å; N108-L110 VanDerWaalsContact C-N 3.33Å
109	G	89.2	Confident	85.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	76.5	18	-177.7	0	0	0	0	0	114.2	K93 L94 D106 A107	K93-G109 WeakPolarHBondContact CB-O 3.43Å; L94-G109 WeakPolarHBondContact CB-O 3.23Å; L94-G109 PolarHBondContact N-O 3.09Å; D106-G109 PolarHBondContact O-N 2.8Å; D106-G109 WeakPolarHBondContact OD1-CA 3.24Å; D106-G109 PolarHBondContact OD1-N 3.24Å; A107-G109 VanDerWaalsContact C-N 3.29Å
110	L	94.6	Very high	85.6	Confident	30 Å²	30	39.6 Å²	39.6	16%	0.157	24%	0.241	C	C	.	.			trans	-110.7	-20.6	-175.9	-62.2	-178.7	0	0	0	112.5	K93 D106 N108 R241 F242 F244	K93-L110 HydrophobicContact CB-CD2 4.32Å; D106-L110 PolarHBondContact OD1-N 3.1Å; N108-L110 VanDerWaalsContact C-N 3.33Å; L110-R241 CarbonylContact O-C 3.59Å; L110-R241 VanDerWaalsContact O-CA 3.29Å; L110-R241 WeakPolarHBondContact O-CA 3.4Å; L110-F242 PolarHBondContact O-N 3.33Å; L110-F244 HydrophobicContact CD2-CD2 3.83Å; L110-F244 HydrophobicContact CD2-CE2 3.95Å
111	L	93.6	Very high	85.8	Confident	17 Å²	17	39.1 Å²	39.1	9%	0.089	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	175.2	-172.6	73.1	0	0	0	109.1	I105 D106 T142 E239 R241 F427	I105-L111 CarbonylContact C-O 3.57Å; I105-L111 WeakPolarHBondContact CA-O 3.4Å; D106-L111 HydrophobicContact CB-CB 4Å; D106-L111 PolarHBondContact N-O 2.69Å; D106-L111 PolarHBondContact OD1-N 3.17Å; L111-T142 HydrophobicContact CD1-CG2 4.25Å; L111-E239 HydrophobicContact CD1-CG 3.93Å; L111-E239 HydrophobicContact CG-CG 4.26Å; L111-R241 HydrophobicContact CD1-CB 3.82Å; L111-F427 HydrophobicContact CD2-CD1 3.92Å; L111-F427 HydrophobicContact CD2-CE1 3.36Å; L111-F427 HydrophobicContact CD2-CZ 3.85Å; L111-F427 HydrophobicContact CG-CE1 3.75Å; L111-F427 HydrophobicContact CG-CZ 3.86Å
112	C	93.9	Very high	86.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.8	173.2	70.3	0	0	0	0	112.3	L94 M103 A104 I105 E239 L240	L94-C112 HydrophobicContact CD1-CB 3.54Å; M103-C112 HydrophobicContact SD-CB 3.84Å; A104-C112 CarbonylContact O-C 3.54Å; A104-C112 WeakPolarHBondContact O-CA 3.14Å; A104-C112 WeakPolarHBondContact O-CB 3.29Å; I105-C112 HydrophobicContact CG1-CB 3.96Å; C112-E239 CarbonylContact O-C 3.58Å; C112-E239 WeakPolarHBondContact O-CA 3.46Å; C112-E239 WeakPolarHBondContact O-CG 3.49Å; C112-L240 PolarHBondContact N-O 3.14Å; C112-L240 PolarHBondContact O-N 3.34Å
113	Q	92.7	Very high	87.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.2	177	71.4	-172.6	-28.1	0	0	111.7	A104 A238 E239 F427	A104-Q113 HydrophobicContact CB-CG 3.98Å; A104-Q113 PolarHBondContact N-O 2.91Å; A104-Q113 PolarHBondContact O-N 2.94Å; Q113-A238 CarbonylContact C-O 3.08Å; Q113-A238 VanDerWaalsContact CA-O 3.26Å; Q113-A238 WeakPolarHBondContact CA-O 3.4Å; Q113-E239 HydrophobicContact CB-CB 3.93Å; Q113-E239 HydrophobicContact CB-CG 3.86Å; Q113-E239 PolarHBondContact OE1-OE2 3.02Å; Q113-F427 HydrophobicContact CB-CE1 3.96Å; Q113-F427 HydrophobicContact CB-CZ 3.8Å; Q113-F427 VanDerWaalsContact CD-CD1 3.49Å; Q113-F427 HydrophobicContact CG-CD1 4.47Å; Q113-F427 HydrophobicContact CG-CE1 3.82Å; Q113-F427 HydrophobicContact CG-CE2 3.85Å; Q113-F427 HydrophobicContact CG-CZ 3.47Å; Q113-F427 VanDerWaalsContact CG-CZ 3.47Å; Q113-F427 VanDerWaalsContact NE2-CD1 3.32Å
114	S	89.3	Confident	87.9	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.6	157.5	-173.1	0	0	0	0	108.9	A102 H121 N237 A238	A102-S114 WeakPolarHBondContact O-CB 3.47Å; A102-S114 PolarHBondContact O-OG 2.76Å; S114-H121 PolarHBondContact OG-CD2 3.05Å; S114-H121 VanDerWaalsContact OG-CD2 3.23Å; S114-N237 CarbonylContact O-C 3.51Å; S114-N237 WeakPolarHBondContact O-CA 3.4Å; S114-N237 PolarHBondContact O-N 3.27Å; S114-A238 PolarHBondContact N-O 3.1Å; S114-A238 PolarHBondContact O-N 2.97Å
115	R	82.7	Confident	88.4	Confident	61 Å²	61	32 Å²	32	23%	0.23	19%	0.194	C	C	.	.			trans	-105.6	11.5	178.3	-57.1	-63.1	175.4	-177.9	-2.9	112.9	P117 D143 E239 N422	R115-P117 VanDerWaalsContact O-CD 3.27Å; R115-P117 WeakPolarHBondContact O-CD 3.46Å; R115-D143 IonicContact CZ-OD2 3Å; R115-D143 IonicContact NH1-OD2 2.56Å; R115-D143 PolarHBondContact NH1-OD2 3.36Å; R115-D143 IonicContact NH2-OD2 3.95Å; R115-D143 PolarHBondContact NH2-OD2 2.9Å; R115-E239 IonicContact NH2-OE2 3.76Å; R115-E239 PolarHBondContact NH2-OE2 2.91Å; R115-N422 VanDerWaalsContact CB-O 3.26Å; R115-N422 WeakPolarHBondContact CB-O 3.46Å
116	D	79.7	Confident	88.7	Confident	56 Å²	56	32.7 Å²	32.7	30%	0.299	20%	0.198	S	C	.	.			trans	-83.3	113.2	175.2	-177	-4.9	0	0	0	110	G118 G119 H121 N237	D116-G118 VanDerWaalsContact C-N 3.27Å; D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.26Å; D116-G118 PolarHBondContact OD1-N 3.24Å; D116-G119 VanDerWaalsContact CG-N 3.28Å; D116-G119 PolarHBondContact OD1-N 2.92Å; D116-G119 WeakPolarHBondContact OD2-CA 3.4Å; D116-G119 PolarHBondContact OD2-N 3.03Å; D116-H121 IonicContact OD2-CD2 3.9Å; D116-H121 IonicContact OD2-CE1 2.68Å; D116-H121 IonicContact OD2-NE2 3.49Å; D116-H121 PolarHBondContact OD2-NE2 2.98Å; D116-N237 PolarHBondContact O-N 3.05Å
117	P	77	Confident	89.3	Confident	95 Å²	95	32.7 Å²	32.7	62%	0.617	20%	0.196	S	C	*	.	S	Bend	trans	-78.8	-9	177.7	34.2	-36.5	0	0	0	113.1	R115 K236 N237	R115-P117 VanDerWaalsContact O-CD 3.27Å; R115-P117 WeakPolarHBondContact O-CD 3.46Å; P117-K236 WeakPolarHBondContact O-CE 3.36Å; P117-N237 HydrophobicContact CB-CB 4.3Å
118	G	77.8	Confident	90.3	Very high	51 Å²	51	28.4 Å²	28.4	53%	0.526	16%	0.161	S	C	.	.	S	Bend	trans	-98.9	-47	-178.8	0	0	0	0	0	113.1	D116 K236	D116-G118 VanDerWaalsContact C-N 3.27Å; D116-G118 PolarHBondContact O-N 3.44Å; D116-G118 WeakPolarHBondContact OD1-CA 3.26Å; D116-G118 PolarHBondContact OD1-N 3.24Å; G118-K236 VanDerWaalsContact O-CE 3.3Å; G118-K236 WeakPolarHBondContact O-CE 3.4Å; G118-K236 PolarHBondContact O-NZ 2.97Å
119	G	84.7	Confident	90.9	Very high	21 Å²	21	23.7 Å²	23.7	22%	0.216	14%	0.135	C	C	.	.	S	Bend	trans	-95.7	152.9	-173.1	0	0	0	0	0	115.3	D116 K236	D116-G119 VanDerWaalsContact CG-N 3.28Å; D116-G119 PolarHBondContact OD1-N 2.92Å; D116-G119 WeakPolarHBondContact OD2-CA 3.4Å; D116-G119 PolarHBondContact OD2-N 3.03Å; G119-K236 WeakPolarHBondContact O-CG 3.39Å
120	W	92.6	Very high	91.2	Very high	78 Å²	78	26.8 Å²	26.8	30%	0.295	15%	0.148	S	C	.	.			trans	-91.7	125.2	165.7	-74.3	102.5	0	0	0	109.4	L146 R148 C234 L235 K236	W120-L146 HydrophobicContact CH2-CB 3.62Å; W120-L146 HydrophobicContact CZ2-CB 4.14Å; W120-L146 HydrophobicContact CZ2-CD1 4.44Å; W120-L146 HydrophobicContact CZ3-CB 4.31Å; W120-R148 VanDerWaalsContact CE2-NH2 3.26Å; W120-C234 HydrophobicContact CE3-CB 4.25Å; W120-L235 WeakPolarHBondContact CA-O 3.44Å; W120-K236 HydrophobicContact CD2-CB 3.87Å; W120-K236 HydrophobicContact CD2-CD 4.35Å; W120-K236 HydrophobicContact CE3-CB 3.8Å; W120-K236 HydrophobicContact CG-CB 4.49Å; W120-K236 HydrophobicContact CH2-CB 4.34Å; W120-K236 HydrophobicContact CZ2-CB 4.38Å; W120-K236 HydrophobicContact CZ2-CD 4.42Å; W120-K236 HydrophobicContact CZ3-CB 4.05Å
121	H	93	Very high	91.2	Very high	25 Å²	25	28.8 Å²	28.8	12%	0.116	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.4	-179.2	-69.8	-75.2	0	0	0	109.4	T100 A102 M103 S114 D116 C234 L235	T100-H121 WeakPolarHBondContact OG1-CA 3.4Å; T100-H121 WeakPolarHBondContact OG1-CB 3.22Å; T100-H121 PolarHBondContact OG1-ND1 2.95Å; A102-H121 WeakPolarHBondContact CB-CE1 3.33Å; M103-H121 HydrophobicContact CB-CB 4.22Å; M103-H121 VanDerWaalsContact CE-C 3.5Å; M103-H121 WeakPolarHBondContact CE-O 3.29Å; S114-H121 PolarHBondContact OG-CD2 3.05Å; S114-H121 VanDerWaalsContact OG-CD2 3.23Å; D116-H121 IonicContact OD2-CD2 3.9Å; D116-H121 IonicContact OD2-CE1 2.68Å; D116-H121 IonicContact OD2-NE2 3.49Å; D116-H121 PolarHBondContact OD2-NE2 2.98Å; H121-C234 CarbonylContact O-C 3.51Å; H121-C234 WeakPolarHBondContact O-CA 3.44Å; H121-L235 PolarHBondContact N-O 3.1Å; H121-L235 PolarHBondContact O-N 2.69Å
122	G	95.2	Very high	91.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	164.6	-171.5	0	0	0	0	0	114.4	R99 T100 V233	R99-G122 CarbonylContact C-O 3.35Å; R99-G122 WeakPolarHBondContact CA-O 3.24Å; R99-G122 WeakPolarHBondContact CB-O 3.48Å; T100-G122 PolarHBondContact N-O 3.32Å; T100-G122 PolarHBondContact OG1-N 2.88Å; T100-G122 VanDerWaalsContact OG1-N 3.07Å; G122-V233 CarbonylContact C-O 3.59Å; G122-V233 WeakPolarHBondContact CA-O 3.23Å
123	A	96.2	Very high	91.3	Very high	1 Å²	1	31 Å²	31	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.8	173.9	0	0	0	0	0	111.1	D98 R99 M103 I105 S232 V233	D98-A123 VanDerWaalsContact O-CA 3.27Å; D98-A123 WeakPolarHBondContact O-CA 3.37Å; R99-A123 HydrophobicContact CB-CB 3.79Å; M103-A123 HydrophobicContact CE-CB 4.33Å; M103-A123 HydrophobicContact CG-CB 3.99Å; I105-A123 HydrophobicContact CD1-CB 3.98Å; A123-S232 WeakPolarHBondContact O-CA 3.37Å; A123-V233 HydrophobicContact CB-CG1 4.26Å; A123-V233 PolarHBondContact N-O 3.34Å; A123-V233 PolarHBondContact O-N 2.82Å
124	R	97.2	Very high	91.6	Very high	5 Å²	5	35 Å²	35	2%	0.019	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	157.2	172	-73.8	177.7	-78	-99.3	6.9	111.3	N95 D98 S152 A156 H158 P231	N95-R124 VanDerWaalsContact CB-O 3.29Å; N95-R124 WeakPolarHBondContact CB-O 3.46Å; N95-R124 PolarHBondContact N-O 3.36Å; D98-R124 VanDerWaalsContact CG-NE 3.25Å; D98-R124 PolarHBondContact O-N 3.34Å; D98-R124 VanDerWaalsContact O-N 3.08Å; D98-R124 IonicContact OD1-CZ 3.74Å; D98-R124 VanDerWaalsContact OD1-CZ 3.23Å; D98-R124 IonicContact OD1-NE 2.94Å; D98-R124 PolarHBondContact OD1-NE 3.41Å; D98-R124 IonicContact OD1-NH2 3.1Å; D98-R124 PolarHBondContact OD1-NH2 3.04Å; D98-R124 IonicContact OD2-CZ 2.79Å; D98-R124 IonicContact OD2-NE 3.66Å; D98-R124 PolarHBondContact OD2-NE 3.3Å; D98-R124 IonicContact OD2-NH2 3.62Å; R124-S152 WeakPolarHBondContact CD-OG 3.29Å; R124-A156 PolarHBondContact NH1-O 3.41Å; R124-H158 PolarHBondContact NH2-CE1 3.17Å; R124-H158 PolarHBondContact NH2-NE2 2.91Å; R124-P231 CarbonylContact C-O 3.59Å; R124-P231 WeakPolarHBondContact CA-O 3.41Å
125	A	97.2	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	158.4	171.7	0	0	0	0	0	112.7	M92 K93 R127 P231 F244 N271	M92-A125 HydrophobicContact CE-CB 4.01Å; K93-A125 CarbonylContact O-C 3.59Å; K93-A125 VanDerWaalsContact O-CA 3.32Å; K93-A125 WeakPolarHBondContact O-CA 3.33Å; A125-R127 PolarHBondContact O-N 3.12Å; A125-P231 HydrophobicContact CB-CB 4.01Å; A125-P231 HydrophobicContact CB-CG 4.15Å; A125-P231 PolarHBondContact N-O 3.18Å; A125-F244 HydrophobicContact CB-CE1 4.48Å; A125-F244 HydrophobicContact CB-CZ 4.4Å; A125-N271 PolarHBondContact O-ND2 3.04Å
126	N	94.5	Very high	92.7	Very high	26 Å²	26	32.2 Å²	32.2	14%	0.139	19%	0.188	C	C	.	.	S	Bend	trans	-70.1	-18.6	175.6	66.1	-18.1	0	0	0	113.3	Q91 K93 N95 N271	Q91-N126 PolarHBondContact O-ND2 3.21Å; Q91-N126 VanDerWaalsContact O-ND2 3.13Å; K93-N126 PolarHBondContact N-OD1 3.36Å; K93-N126 PolarHBondContact O-N 3.47Å; K93-N126 PolarHBondContact O-OD1 3.41Å; N95-N126 HydrophobicContact CB-CB 4.26Å; N126-N271 WeakPolarHBondContact O-CB 3.42Å; N126-N271 PolarHBondContact O-N 2.8Å
127	R	94.7	Very high	93.6	Very high	30 Å²	30	29.5 Å²	29.5	11%	0.113	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149	178.8	-71.3	178	61.4	-164.4	-2.5	111	M92 A125 F230 C263 S268 V269 E270	M92-R127 HydrophobicContact CE-CB 4.42Å; M92-R127 WeakPolarHBondContact CE-O 3.38Å; M92-R127 HydrophobicContact SD-CB 4.21Å; A125-R127 PolarHBondContact O-N 3.12Å; R127-F230 WeakPolarHBondContact O-CD1 3.5Å; R127-C263 PolarHBondContact NH2-SG 3.06Å; R127-S268 PolarHBondContact NE-OG 3.26Å; R127-S268 VanDerWaalsContact NE-OG 3.1Å; R127-S268 PolarHBondContact NH2-OG 3.32Å; R127-V269 CarbonylContact C-O 3.58Å; R127-V269 WeakPolarHBondContact CA-O 3.5Å; R127-E270 WeakPolarHBondContact CD-OE1 3.42Å; R127-E270 WeakPolarHBondContact CG-OE1 3.38Å; R127-E270 IonicContact NE-OE1 3.72Å
128	G	96.1	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	-178.2	175.8	0	0	0	0	0	110.8	L229 F230 V269	G128-L229 CarbonylContact C-O 3.54Å; G128-L229 WeakPolarHBondContact CA-O 3.2Å; G128-F230 VanDerWaalsContact N-CD1 3.31Å; G128-F230 VanDerWaalsContact N-CE1 3.26Å; G128-V269 PolarHBondContact N-O 3.28Å; G128-V269 PolarHBondContact O-N 2.75Å
129	V	97.3	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.2	-175.2	-70.3	0	0	0	0	111.9	Y135 W151 L198 L200 G228 L229 I260 C263 N267	V129-Y135 HydrophobicContact CB-CD2 3.86Å; V129-Y135 HydrophobicContact CB-CE1 4.45Å; V129-Y135 HydrophobicContact CB-CE2 3.65Å; V129-Y135 HydrophobicContact CB-CG 4.32Å; V129-Y135 HydrophobicContact CG1-CD1 3.94Å; V129-Y135 HydrophobicContact CG1-CD2 4.08Å; V129-Y135 HydrophobicContact CG1-CE1 3.81Å; V129-Y135 HydrophobicContact CG1-CE2 3.92Å; V129-Y135 HydrophobicContact CG1-CG 4.06Å; V129-Y135 HydrophobicContact CG2-CD2 3.54Å; V129-Y135 HydrophobicContact CG2-CE2 3.85Å; V129-Y135 HydrophobicContact CG2-CG 3.99Å; V129-W151 HydrophobicContact CG2-CZ3 4.45Å; V129-L198 HydrophobicContact CG2-CD2 3.48Å; V129-L198 VanDerWaalsContact CG2-CD2 3.48Å; V129-L200 HydrophobicContact CB-CD1 4.44Å; V129-L200 HydrophobicContact CG2-CD1 4.3Å; V129-G228 CarbonylContact O-C 3.49Å; V129-G228 WeakPolarHBondContact O-CA 3.48Å; V129-L229 PolarHBondContact N-O 2.8Å; V129-L229 PolarHBondContact O-N 3.43Å; V129-I260 HydrophobicContact CG1-CD1 3.87Å; V129-I260 HydrophobicContact CG1-CG1 3.75Å; V129-I260 HydrophobicContact CG2-CD1 3.93Å; V129-C263 HydrophobicContact CG1-CB 3.64Å; V129-N267 CarbonylContact C-O 3.59Å; V129-N267 VanDerWaalsContact CA-O 3.25Å; V129-N267 WeakPolarHBondContact CA-O 3.3Å
130	K	96	Very high	96.3	Very high	67 Å²	67	24.4 Å²	24.4	29%	0.291	12%	0.122	S	C	.	.			trans	-143.6	165.8	-179.4	65.2	174.2	172.4	-173.6	0	113	S132 L200 R225 N267 V269	K130-S132 VanDerWaalsContact C-N 3.31Å; K130-S132 PolarHBondContact O-N 3.03Å; K130-L200 VanDerWaalsContact C-CD1 3.44Å; K130-R225 CarbonylContact C-O 3.59Å; K130-R225 WeakPolarHBondContact CA-O 3.24Å; K130-R225 WeakPolarHBondContact CB-O 3.24Å; K130-N267 WeakPolarHBondContact CG-O 3.47Å; K130-N267 PolarHBondContact N-O 3.06Å; K130-N267 WeakPolarHBondContact O-CB 3.29Å; K130-V269 HydrophobicContact CB-CG2 3.83Å; K130-V269 HydrophobicContact CD-CG2 3.48Å; K130-V269 VanDerWaalsContact CD-CG2 3.48Å; K130-V269 HydrophobicContact CG-CG2 3.51Å
131	C	93.4	Very high	96.5	Very high	71 Å²	71	20.8 Å²	20.8	48%	0.48	11%	0.109	S	C	.	.	S	Bend	trans	70.2	-60.3	170.1	-58.2	0	0	0	0	115.9	R225	C131-R225 PolarHBondContact N-O 2.62Å
132	S	94.8	Very high	96.6	Very high	48 Å²	48	21.4 Å²	21.4	34%	0.336	11%	0.114	S	C	.	.	S	Bend	trans	-151.1	168.4	-173.2	60.9	0	0	0	0	112.1	K130 Y135 D201 N267	K130-S132 VanDerWaalsContact C-N 3.31Å; K130-S132 PolarHBondContact O-N 3.03Å; S132-Y135 WeakPolarHBondContact O-CE2 3.21Å; S132-Y135 PolarHBondContact O-OH 3.19Å; S132-D201 WeakPolarHBondContact CA-OD1 3.42Å; S132-D201 WeakPolarHBondContact CB-OD1 3.4Å; S132-N267 PolarHBondContact O-ND2 3.45Å; S132-N267 PolarHBondContact OG-ND2 3.33Å
133	G	95.7	Very high	96.4	Very high	17 Å²	17	23.3 Å²	23.3	18%	0.175	12%	0.124	C	C	.	.			trans	99.8	166	178.2	0	0	0	0	0	114.2	L200 D201	G133-L200 WeakPolarHBondContact O-CB 3.37Å; G133-L200 PolarHBondContact O-N 2.91Å; G133-D201 PolarHBondContact N-OD1 2.88Å
134	R	97.9	Very high	96.1	Very high	84 Å²	84	30 Å²	30	32%	0.317	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.4	-179.7	-64	-173.9	179.1	165	5.4	110	L198 D199 N202 W257 I258	R134-L198 WeakPolarHBondContact CA-O 3.45Å; R134-D199 HydrophobicContact CG-CB 4.23Å; R134-D199 IonicContact CZ-OD2 2.77Å; R134-D199 IonicContact NE-OD1 2.84Å; R134-D199 PolarHBondContact NE-OD1 3.01Å; R134-D199 IonicContact NE-OD2 3.84Å; R134-D199 PolarHBondContact NE-OD2 2.93Å; R134-D199 VanDerWaalsContact NE-OD2 3.1Å; R134-D199 IonicContact NH2-OD2 2.81Å; R134-N202 PolarHBondContact NH2-ND2 3.45Å; R134-N202 VanDerWaalsContact NH2-ND2 3.14Å; R134-W257 HydrophobicContact CB-CD2 3.9Å; R134-W257 HydrophobicContact CB-CE3 3.69Å; R134-W257 HydrophobicContact CB-CG 4.39Å; R134-W257 HydrophobicContact CB-CZ3 4.02Å; R134-I258 WeakPolarHBondContact O-CG1 3.19Å; R134-I258 PolarHBondContact O-N 2.92Å
135	Y	98	Very high	95.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.1	-169.3	-56.3	-76.9	0	0	0	112	V129 S132 L198 L200 W257 I258 C263 N267	V129-Y135 HydrophobicContact CB-CD2 3.86Å; V129-Y135 HydrophobicContact CB-CE1 4.45Å; V129-Y135 HydrophobicContact CB-CE2 3.65Å; V129-Y135 HydrophobicContact CB-CG 4.32Å; V129-Y135 HydrophobicContact CG1-CD1 3.94Å; V129-Y135 HydrophobicContact CG1-CD2 4.08Å; V129-Y135 HydrophobicContact CG1-CE1 3.81Å; V129-Y135 HydrophobicContact CG1-CE2 3.92Å; V129-Y135 HydrophobicContact CG1-CG 4.06Å; V129-Y135 HydrophobicContact CG2-CD2 3.54Å; V129-Y135 HydrophobicContact CG2-CE2 3.85Å; V129-Y135 HydrophobicContact CG2-CG 3.99Å; S132-Y135 WeakPolarHBondContact O-CE2 3.21Å; S132-Y135 PolarHBondContact O-OH 3.19Å; Y135-L198 PolarHBondContact N-O 3.4Å; Y135-L198 PolarHBondContact O-N 3.04Å; Y135-L200 HydrophobicContact CD2-CD1 4.36Å; Y135-L200 HydrophobicContact CE2-CD1 3.93Å; Y135-L200 HydrophobicContact CE2-CG 4.46Å; Y135-W257 WeakPolarHBondContact O-CZ3 3.33Å; Y135-I258 CarbonylContact C-O 3.54Å; Y135-I258 WeakPolarHBondContact CA-O 3.48Å; Y135-I258 HydrophobicContact CD1-CD1 4.14Å; Y135-I258 HydrophobicContact CD1-CG1 3.91Å; Y135-I258 HydrophobicContact CE1-CD1 3.81Å; Y135-I258 HydrophobicContact CE1-CG1 4.09Å; Y135-C263 HydrophobicContact CD1-CB 4.03Å; Y135-C263 HydrophobicContact CE1-CB 3.38Å; Y135-N267 VanDerWaalsContact OH-CB 3.27Å; Y135-N267 WeakPolarHBondContact OH-CB 3.22Å; Y135-N267 PolarHBondContact OH-ND2 2.95Å; Y135-N267 VanDerWaalsContact OH-ND2 3.16Å
136	Y	98.4	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.6	-177.4	-178.4	-106	0	0	0	111.4	E138 G195 C196 F197 F249 F251 P253 I258 G259 I260	Y136-E138 HydrophobicContact CE1-CG 3.58Å; Y136-E138 WeakPolarHBondContact OH-CG 3.29Å; Y136-E138 PolarHBondContact OH-OE1 3.07Å; Y136-G195 VanDerWaalsContact CE2-CA 3.41Å; Y136-G195 VanDerWaalsContact OH-CA 3.25Å; Y136-G195 WeakPolarHBondContact OH-CA 3.13Å; Y136-C196 WeakPolarHBondContact CA-O 3.38Å; Y136-F197 AromaticContact CD2-CD1 3.85Å; Y136-F197 HydrophobicContact CD2-CD1 3.85Å; Y136-F197 HydrophobicContact CD2-CD2 4.04Å; Y136-F197 AromaticContact CD2-CE1 3.65Å; Y136-F197 HydrophobicContact CD2-CE1 3.65Å; Y136-F197 AromaticContact CD2-CE2 3.84Å; Y136-F197 HydrophobicContact CD2-CE2 3.84Å; Y136-F197 HydrophobicContact CD2-CG 4.04Å; Y136-F197 AromaticContact CD2-CZ 3.64Å; Y136-F197 HydrophobicContact CD2-CZ 3.64Å; Y136-F197 HydrophobicContact CE2-CD1 4.39Å; Y136-F197 AromaticContact CE2-CD2 3.99Å; Y136-F197 HydrophobicContact CE2-CD2 3.99Å; Y136-F197 AromaticContact CE2-CE1 3.88Å; Y136-F197 HydrophobicContact CE2-CE1 3.88Å; Y136-F197 AromaticContact CE2-CE2 3.42Å; Y136-F197 HydrophobicContact CE2-CE2 3.42Å; Y136-F197 VanDerWaalsContact CE2-CE2 3.42Å; Y136-F197 HydrophobicContact CE2-CG 4.44Å; Y136-F197 AromaticContact CE2-CZ 3.35Å; Y136-F197 HydrophobicContact CE2-CZ 3.35Å; Y136-F249 HydrophobicContact CD1-CD1 4.12Å; Y136-F249 AromaticContact CD1-CD2 3.97Å; Y136-F249 HydrophobicContact CD1-CD2 3.97Å; Y136-F249 AromaticContact CD1-CE1 3.93Å; Y136-F249 HydrophobicContact CD1-CE1 3.93Å; Y136-F249 AromaticContact CD1-CE2 3.78Å; Y136-F249 HydrophobicContact CD1-CE2 3.78Å; Y136-F249 HydrophobicContact CD1-CG 4.14Å; Y136-F249 AromaticContact CD1-CZ 3.75Å; Y136-F249 HydrophobicContact CD1-CZ 3.75Å; Y136-F249 HydrophobicContact CE1-CB 4.33Å; Y136-F249 AromaticContact CE1-CD1 3.79Å; Y136-F249 HydrophobicContact CE1-CD1 3.79Å; Y136-F249 HydrophobicContact CE1-CD2 4.06Å; Y136-F249 HydrophobicContact CE1-CE1 4.04Å; Y136-F249 HydrophobicContact CE1-CE2 4.3Å; Y136-F249 AromaticContact CE1-CG 3.8Å; Y136-F249 HydrophobicContact CE1-CG 3.8Å; Y136-F249 HydrophobicContact CE1-CZ 4.28Å; Y136-F251 PolarHBondContact OH-O 3.07Å; Y136-P253 HydrophobicContact CD1-CB 4.07Å; Y136-P253 HydrophobicContact CD1-CG 3.65Å; Y136-P253 HydrophobicContact CD2-CB 3.97Å; Y136-P253 HydrophobicContact CD2-CG 4.4Å; Y136-P253 HydrophobicContact CE1-CB 4.43Å; Y136-P253 HydrophobicContact CE1-CG 4.23Å; Y136-P253 HydrophobicContact CE2-CB 4.35Å; Y136-P253 HydrophobicContact CG-CB 3.81Å; Y136-P253 HydrophobicContact CG-CG 3.73Å; Y136-I258 PolarHBondContact N-O 3.18Å; Y136-G259 WeakPolarHBondContact O-CA 3.39Å; Y136-I260 PolarHBondContact O-N 2.85Å
137	Y	98.5	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163.9	164.5	74.1	-94.7	0	0	0	110.3	A139 G150 W151 C196 P231 F242 N243 F244	Y137-A139 HydrophobicContact CE2-CB 4.46Å; Y137-G150 PolarHBondContact OH-N 3.02Å; Y137-G150 PolarHBondContact OH-O 3.48Å; Y137-W151 AromaticContact CD1-CH2 3.47Å; Y137-W151 HydrophobicContact CD1-CH2 3.47Å; Y137-W151 VanDerWaalsContact CD1-CH2 3.47Å; Y137-W151 AromaticContact CD1-CZ2 3.52Å; Y137-W151 HydrophobicContact CD1-CZ2 3.52Å; Y137-W151 HydrophobicContact CD1-CZ3 4.21Å; Y137-W151 HydrophobicContact CE1-CD2 4.17Å; Y137-W151 AromaticContact CE1-CE2 3.68Å; Y137-W151 HydrophobicContact CE1-CE3 4.29Å; Y137-W151 AromaticContact CE1-CH2 3.57Å; Y137-W151 HydrophobicContact CE1-CH2 3.57Å; Y137-W151 AromaticContact CE1-CZ2 3.37Å; Y137-W151 HydrophobicContact CE1-CZ2 3.37Å; Y137-W151 HydrophobicContact CE1-CZ3 4.03Å; Y137-C196 HydrophobicContact CD1-CB 3.78Å; Y137-C196 HydrophobicContact CD2-CB 4.12Å; Y137-C196 HydrophobicContact CE1-CB 3.36Å; Y137-C196 HydrophobicContact CE2-CB 3.71Å; Y137-C196 VanDerWaalsContact CE2-SG 3.5Å; Y137-C196 HydrophobicContact CG-CB 4.13Å; Y137-C196 PolarHBondContact N-O 2.8Å; Y137-C196 PolarHBondContact O-N 2.88Å; Y137-C196 PolarHBondContact OH-SG 3.02Å; Y137-P231 HydrophobicContact CD1-CB 3.98Å; Y137-P231 HydrophobicContact CD1-CG 3.79Å; Y137-P231 HydrophobicContact CE1-CB 3.58Å; Y137-P231 HydrophobicContact CE1-CG 3.77Å; Y137-P231 HydrophobicContact CE2-CB 4.34Å; Y137-P231 HydrophobicContact CG-CB 4.49Å; Y137-P231 HydrophobicContact CG-CG 4.47Å; Y137-F242 HydrophobicContact CD2-CD1 4.07Å; Y137-F242 HydrophobicContact CD2-CE1 4.43Å; Y137-F242 AromaticContact CE2-CD1 3.96Å; Y137-F242 HydrophobicContact CE2-CD1 3.96Å; Y137-F242 AromaticContact CE2-CE1 3.86Å; Y137-F242 HydrophobicContact CE2-CE1 3.86Å; Y137-N243 WeakPolarHBondContact CB-O 3.3Å; Y137-F244 HydrophobicContact CD2-CD1 4.41Å; Y137-F244 HydrophobicContact CD2-CE1 4.24Å; Y137-F244 HydrophobicContact CG-CD1 4.17Å; Y137-F244 HydrophobicContact CG-CE1 4.36Å
138	E	98.6	Very high	95.8	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.6	177.6	-72.2	179.7	163.3	0	0	112.1	Y136 T193 I194 F242 N243 F249 D250 F251	Y136-E138 HydrophobicContact CE1-CG 3.58Å; Y136-E138 WeakPolarHBondContact OH-CG 3.29Å; Y136-E138 PolarHBondContact OH-OE1 3.07Å; E138-T193 HydrophobicContact CB-CG2 3.9Å; E138-T193 HydrophobicContact CG-CG2 4.01Å; E138-I194 WeakPolarHBondContact CA-O 3.39Å; E138-F242 WeakPolarHBondContact O-CA 3.39Å; E138-N243 HydrophobicContact CB-CB 4.37Å; E138-N243 PolarHBondContact N-O 3.08Å; E138-N243 PolarHBondContact O-N 2.88Å; E138-F249 HydrophobicContact CB-CD1 4.26Å; E138-F249 HydrophobicContact CG-CD1 3.78Å; E138-F249 HydrophobicContact CG-CE1 4.4Å; E138-F249 WeakPolarHBondContact OE2-CA 3.49Å; E138-D250 PolarHBondContact OE2-N 3.46Å; E138-F251 VanDerWaalsContact OE1-C 3.25Å; E138-F251 VanDerWaalsContact OE1-CA 3.29Å; E138-F251 WeakPolarHBondContact OE1-CA 3.4Å; E138-F251 WeakPolarHBondContact OE1-CB 3.34Å; E138-F251 PolarHBondContact OE1-N 3.46Å
139	A	98.5	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.7	170.1	0	0	0	0	0	109.6	Y137 V149 I194 L240 R241 F242	Y137-A139 HydrophobicContact CE2-CB 4.46Å; A139-V149 HydrophobicContact CB-CB 4.47Å; A139-V149 HydrophobicContact CB-CG1 3.75Å; A139-I194 PolarHBondContact N-O 3.2Å; A139-I194 PolarHBondContact O-N 3.06Å; A139-L240 HydrophobicContact CB-CD2 4.24Å; A139-R241 CarbonylContact C-O 3.14Å; A139-R241 WeakPolarHBondContact CA-O 3.12Å; A139-F242 HydrophobicContact CB-CD1 4.08Å; A139-F242 HydrophobicContact CB-CE1 3.69Å; A139-F242 HydrophobicContact CB-CZ 4.05Å
140	H	98.3	Very high	95.9	Very high	56 Å²	56	32.5 Å²	32.5	26%	0.259	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.9	179.8	-177.2	75.7	0	0	0	110.4	T142 G191 T193 L240 R241	H140-T142 PolarHBondContact O-N 3.35Å; H140-G191 PolarHBondContact CE1-O 2.82Å; H140-T193 PolarHBondContact ND1-OG1 2.97Å; H140-L240 CarbonylContact O-C 3.49Å; H140-L240 VanDerWaalsContact O-CA 3.24Å; H140-L240 WeakPolarHBondContact O-CA 3.4Å; H140-R241 PolarHBondContact N-O 3.15Å; H140-R241 PolarHBondContact O-N 3.45Å
141	V	97.8	Very high	96	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.6	-179.5	-174.9	0	0	0	0	109.4	D143 F188 G189 G191 D192 L240	V141-D143 WeakPolarHBondContact CG1-O 3.4Å; V141-F188 HydrophobicContact CG2-CD2 4Å; V141-F188 HydrophobicContact CG2-CE2 4.16Å; V141-G189 VanDerWaalsContact CB-O 3.31Å; V141-G189 WeakPolarHBondContact CB-O 3.25Å; V141-G191 PolarHBondContact O-N 3.4Å; V141-D192 PolarHBondContact N-O 2.82Å; V141-L240 HydrophobicContact CB-CD1 4.49Å; V141-L240 HydrophobicContact CG1-CD1 4.22Å; V141-L240 HydrophobicContact CG2-CD1 4.2Å; V141-L240 HydrophobicContact CG2-CG 4.15Å
142	T	95.5	Very high	96.3	Very high	38 Å²	38	26 Å²	26	23%	0.233	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-20.5	-175.6	51.1	0	0	0	0	113.3	L111 H140 K190 E239 R241	L111-T142 HydrophobicContact CD1-CG2 4.25Å; H140-T142 PolarHBondContact O-N 3.35Å; T142-K190 WeakPolarHBondContact O-CE 3.36Å; T142-E239 WeakPolarHBondContact CB-OE1 3.35Å; T142-E239 PolarHBondContact N-O 2.89Å; T142-E239 WeakPolarHBondContact OG1-CB 3.3Å; T142-E239 VanDerWaalsContact OG1-CD 3.25Å; T142-E239 WeakPolarHBondContact OG1-CG 3.36Å; T142-E239 PolarHBondContact OG1-O 3.47Å; T142-E239 PolarHBondContact OG1-OE1 2.84Å; T142-R241 HydrophobicContact CG2-CB 4.05Å
143	D	90.6	Very high	96.4	Very high	40 Å²	40	23.8 Å²	23.8	21%	0.214	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161	178.4	-154.1	7.1	0	0	0	112.9	R115 V141 K190 E239	R115-D143 IonicContact CZ-OD2 3Å; R115-D143 IonicContact NH1-OD2 2.56Å; R115-D143 PolarHBondContact NH1-OD2 3.36Å; R115-D143 IonicContact NH2-OD2 3.95Å; R115-D143 PolarHBondContact NH2-OD2 2.9Å; V141-D143 WeakPolarHBondContact CG1-O 3.4Å; D143-K190 IonicContact OD1-NZ 3.7Å; D143-E239 HydrophobicContact CB-CB 3.68Å; D143-E239 PolarHBondContact N-O 3.35Å
144	E	88.4	Confident	96.3	Very high	141 Å²	141	24.5 Å²	24.5	66%	0.659	13%	0.126	S	C	*	.	S	Bend	trans	-62	154.7	178.5	-65.1	-163.3	176.1	0	0	112	K190 A238	E144-K190 HydrophobicContact CG-CB 4.34Å; E144-K190 HydrophobicContact CG-CD 4.07Å; E144-A238 WeakPolarHBondContact O-CA 3.48Å
145	G	89.8	Confident	96.1	Very high	31 Å²	31	26.3 Å²	26.3	32%	0.32	14%	0.142	S	C	.	.	S	Bend	trans	140.3	-175.2	176.1	0	0	0	0	0	114	N237	G145-N237 WeakPolarHBondContact CA-O 3.48Å
146	L	93.2	Very high	96	Very high	73 Å²	73	26.6 Å²	26.6	38%	0.382	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.3	174.4	-62.9	177.4	0	0	0	109.9	W120 T172 L235 K236	W120-L146 HydrophobicContact CH2-CB 3.62Å; W120-L146 HydrophobicContact CZ2-CB 4.14Å; W120-L146 HydrophobicContact CZ2-CD1 4.44Å; W120-L146 HydrophobicContact CZ3-CB 4.31Å; L146-T172 HydrophobicContact CD2-CG2 4.09Å; L146-L235 CarbonylContact O-C 3.56Å; L146-K236 HydrophobicContact CB-CB 4.27Å; L146-K236 PolarHBondContact N-O 3.44Å; L146-K236 PolarHBondContact O-N 3Å
147	C	96.8	Very high	95.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.5	177.4	56.5	0	0	0	0	111	G170 G171 F188 C234 L235 A238 L240	C147-G170 CarbonylContact O-C 3.57Å; C147-G170 WeakPolarHBondContact O-CA 3.06Å; C147-G171 PolarHBondContact O-N 3.23Å; C147-F188 WeakPolarHBondContact SG-CE2 3.37Å; C147-C234 CarbonylContact C-O 3.45Å; C147-C234 VanDerWaalsContact CA-O 3.28Å; C147-C234 WeakPolarHBondContact CA-O 3.23Å; C147-L235 HydrophobicContact CB-CD2 3.45Å; C147-L235 VanDerWaalsContact CB-CD2 3.45Å; C147-A238 HydrophobicContact CB-CB 4.44Å; C147-L240 HydrophobicContact CB-CD1 3.69Å; C147-L240 HydrophobicContact CB-CD2 4.12Å
148	R	97.8	Very high	95.6	Very high	9 Å²	9	31 Å²	31	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.6	166.1	-86.3	173.8	-75	161.6	-2.2	108.7	W120 D159 V160 F169 V233 C234	W120-R148 VanDerWaalsContact CE2-NH2 3.26Å; R148-D159 IonicContact CZ-OD1 2.9Å; R148-D159 IonicContact NH1-OD1 3.63Å; R148-D159 PolarHBondContact NH1-OD1 2.67Å; R148-D159 IonicContact NH2-OD1 3.82Å; R148-D159 PolarHBondContact NH2-OD1 3.32Å; R148-D159 IonicContact NH2-OD2 3.49Å; R148-V160 PolarHBondContact NH1-O 3.44Å; R148-F169 CarbonylContact C-O 3.54Å; R148-F169 VanDerWaalsContact CA-O 3.25Å; R148-F169 WeakPolarHBondContact CA-O 3.45Å; R148-V233 CarbonylContact O-C 3.51Å; R148-V233 VanDerWaalsContact O-CA 3.32Å; R148-V233 WeakPolarHBondContact O-CA 3.26Å; R148-C234 PolarHBondContact N-O 2.92Å; R148-C234 PolarHBondContact O-N 3.45Å
149	V	98.4	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.7	174.8	-65.1	0	0	0	0	109.6	A139 G168 F169 I194 S232 V233 L240 F242	A139-V149 HydrophobicContact CB-CB 4.47Å; A139-V149 HydrophobicContact CB-CG1 3.75Å; V149-G168 CarbonylContact O-C 3.58Å; V149-G168 WeakPolarHBondContact O-CA 3.27Å; V149-F169 PolarHBondContact N-O 3.47Å; V149-F169 PolarHBondContact O-N 3.47Å; V149-I194 HydrophobicContact CG2-CB 4.24Å; V149-I194 HydrophobicContact CG2-CG2 3.73Å; V149-S232 CarbonylContact C-O 3.57Å; V149-S232 WeakPolarHBondContact CA-O 3.4Å; V149-V233 HydrophobicContact CG1-CG2 4.2Å; V149-L240 HydrophobicContact CG1-CD2 3.52Å; V149-F242 HydrophobicContact CG1-CZ 4.37Å
150	G	98.1	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-142.5	173.1	0	0	0	0	0	113.8	Y137 F167 P231 S232	Y137-G150 PolarHBondContact OH-N 3.02Å; Y137-G150 PolarHBondContact OH-O 3.48Å; G150-F167 CarbonylContact C-O 3.48Å; G150-F167 WeakPolarHBondContact CA-O 3.39Å; G150-P231 CarbonylContact O-C 3.58Å; G150-P231 WeakPolarHBondContact O-CA 3.21Å; G150-S232 PolarHBondContact N-O 2.76Å; G150-S232 PolarHBondContact O-N 3.44Å
151	W	98.4	Very high	95.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.2	-166.4	-58.1	97.2	0	0	0	110.3	V129 Y137 S166 F167 C196 L198 I205 L229 F230 P231 I260	V129-W151 HydrophobicContact CG2-CZ3 4.45Å; Y137-W151 AromaticContact CD1-CH2 3.47Å; Y137-W151 HydrophobicContact CD1-CH2 3.47Å; Y137-W151 VanDerWaalsContact CD1-CH2 3.47Å; Y137-W151 AromaticContact CD1-CZ2 3.52Å; Y137-W151 HydrophobicContact CD1-CZ2 3.52Å; Y137-W151 HydrophobicContact CD1-CZ3 4.21Å; Y137-W151 HydrophobicContact CE1-CD2 4.17Å; Y137-W151 AromaticContact CE1-CE2 3.68Å; Y137-W151 HydrophobicContact CE1-CE3 4.29Å; Y137-W151 AromaticContact CE1-CH2 3.57Å; Y137-W151 HydrophobicContact CE1-CH2 3.57Å; Y137-W151 AromaticContact CE1-CZ2 3.37Å; Y137-W151 HydrophobicContact CE1-CZ2 3.37Å; Y137-W151 HydrophobicContact CE1-CZ3 4.03Å; W151-S166 CarbonylContact O-C 3.35Å; W151-S166 WeakPolarHBondContact O-CA 3.31Å; W151-F167 PolarHBondContact N-O 3.32Å; W151-F167 PolarHBondContact O-N 3.44Å; W151-C196 HydrophobicContact CZ2-CB 4.35Å; W151-L198 HydrophobicContact CD2-CB 4.07Å; W151-L198 HydrophobicContact CD2-CD1 4.43Å; W151-L198 HydrophobicContact CD2-CD2 4Å; W151-L198 HydrophobicContact CD2-CG 4.41Å; W151-L198 HydrophobicContact CE3-CB 4.43Å; W151-L198 HydrophobicContact CE3-CD2 3.7Å; W151-L198 HydrophobicContact CG-CD1 4.44Å; W151-L198 HydrophobicContact CH2-CB 3.83Å; W151-L198 HydrophobicContact CH2-CD2 4.04Å; W151-L198 HydrophobicContact CZ2-CB 3.43Å; W151-L198 VanDerWaalsContact CZ2-CB 3.43Å; W151-L198 HydrophobicContact CZ2-CD2 4.36Å; W151-L198 HydrophobicContact CZ2-CG 4.48Å; W151-L198 HydrophobicContact CZ3-CB 4.31Å; W151-L198 HydrophobicContact CZ3-CD2 3.71Å; W151-I205 HydrophobicContact CB-CD1 4.29Å; W151-I205 HydrophobicContact CG-CD1 4.46Å; W151-L229 HydrophobicContact CE3-CB 4.42Å; W151-F230 WeakPolarHBondContact CA-O 3.36Å; W151-P231 HydrophobicContact CE3-CG 4.35Å; W151-P231 HydrophobicContact CH2-CG 4.3Å; W151-P231 HydrophobicContact CZ3-CG 3.78Å; W151-I260 HydrophobicContact CH2-CD1 3.72Å; W151-I260 HydrophobicContact CZ3-CD1 3.46Å; W151-I260 VanDerWaalsContact CZ3-CD1 3.46Å
152	S	98	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.3	173.9	87.9	0	0	0	0	112.7	R124 E165 L229 F230 S232	R124-S152 WeakPolarHBondContact CD-OG 3.29Å; S152-E165 VanDerWaalsContact CA-O 3.29Å; S152-E165 WeakPolarHBondContact CA-O 3.17Å; S152-L229 WeakPolarHBondContact O-CA 3.41Å; S152-F230 PolarHBondContact N-O 3.44Å; S152-F230 PolarHBondContact O-N 3.24Å; S152-S232 WeakPolarHBondContact CB-OG 3.4Å; S152-S232 PolarHBondContact N-OG 2.86Å; S152-S232 PolarHBondContact OG-OG 3.02Å
153	T	97.4	Very high	94.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	17%	0.171	C	C	.	.			trans	-78.2	177.2	164.4	77.3	0	0	0	0	110.5	N155 A156 E165 L224 K227 L229	T153-N155 VanDerWaalsContact C-N 3.26Å; T153-N155 PolarHBondContact O-N 2.89Å; T153-N155 PolarHBondContact OG1-N 3.36Å; T153-N155 VanDerWaalsContact OG1-N 3.14Å; T153-A156 PolarHBondContact O-N 2.82Å; T153-E165 WeakPolarHBondContact CB-OE2 3.29Å; T153-E165 HydrophobicContact CG2-CB 4.07Å; T153-E165 WeakPolarHBondContact CG2-OE2 3.27Å; T153-E165 PolarHBondContact N-O 3.48Å; T153-E165 WeakPolarHBondContact OG1-CB 3.19Å; T153-E165 PolarHBondContact OG1-OE2 3.05Å; T153-L224 HydrophobicContact CG2-CD2 4.06Å; T153-K227 HydrophobicContact CG2-CB 4.2Å; T153-K227 HydrophobicContact CG2-CD 4.27Å; T153-L229 HydrophobicContact CG2-CD2 4.05Å
154	L	94.8	Very high	95.1	Very high	32 Å²	32	31 Å²	31	17%	0.168	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.7	173	-63.5	175.8	0	0	0	114	F230 N271 T272 F273	L154-F230 HydrophobicContact CD1-CE2 4.16Å; L154-F230 HydrophobicContact CD1-CZ 4.06Å; L154-F230 HydrophobicContact CD2-CD1 4.46Å; L154-F230 HydrophobicContact CD2-CD2 4.06Å; L154-F230 HydrophobicContact CD2-CE1 4.14Å; L154-F230 HydrophobicContact CD2-CE2 3.72Å; L154-F230 HydrophobicContact CD2-CG 4.44Å; L154-F230 HydrophobicContact CD2-CZ 3.75Å; L154-F230 HydrophobicContact CG-CD2 4.21Å; L154-F230 HydrophobicContact CG-CE2 3.57Å; L154-F230 HydrophobicContact CG-CZ 3.85Å; L154-N271 HydrophobicContact CD2-CB 4.31Å; L154-N271 WeakPolarHBondContact CD2-OD1 3.29Å; L154-T272 HydrophobicContact CD1-CG2 4.16Å; L154-F273 HydrophobicContact CB-CE2 4.35Å; L154-F273 HydrophobicContact CD2-CD2 4.2Å; L154-F273 HydrophobicContact CD2-CE2 4.36Å
155	N	93.7	Very high	95.5	Very high	123 Å²	123	26.1 Å²	26.1	66%	0.658	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.5	179.5	-62.4	-28.2	0	0	0	112.8	T153	T153-N155 VanDerWaalsContact C-N 3.26Å; T153-N155 PolarHBondContact O-N 2.89Å; T153-N155 PolarHBondContact OG1-N 3.36Å; T153-N155 VanDerWaalsContact OG1-N 3.14Å
156	A	94.6	Very high	95.9	Very high	6 Å²	6	24.7 Å²	24.7	5%	0.05	14%	0.14	C	C	.	.	S	Bend	trans	-71.4	153.7	179	0	0	0	0	0	111.9	R124 T153 D163 E165	R124-A156 PolarHBondContact NH1-O 3.41Å; T153-A156 PolarHBondContact O-N 2.82Å; A156-D163 WeakPolarHBondContact CA-OD2 3.41Å; A156-E165 HydrophobicContact CB-CB 4.09Å
157	S	93.6	Very high	96.1	Very high	55 Å²	55	21.3 Å²	21.3	39%	0.385	12%	0.122	S	C	.	.			trans	-61	149.3	164.7	-174.3	0	0	0	0	110.5	D159 D163	S157-D159 PolarHBondContact O-N 2.96Å; S157-D159 PolarHBondContact OG-N 2.94Å; S157-D163 WeakPolarHBondContact CB-OD2 3.4Å; S157-D163 PolarHBondContact N-OD2 3.22Å
158	H	95	Very high	96.2	Very high	39 Å²	39	21.2 Å²	21.2	18%	0.181	12%	0.122	C	C	.	.	S	Bend	trans	-69.3	-14.2	168.9	-66.1	95.8	0	0	0	112.4	D98 T100 R124 V160 C234	D98-H158 PolarHBondContact O-NE2 2.91Å; D98-H158 IonicContact OD1-CD2 2.83Å; D98-H158 IonicContact OD1-CE1 2.67Å; D98-H158 PolarHBondContact OD1-CE1 3.29Å; D98-H158 IonicContact OD1-NE2 3.33Å; D98-H158 PolarHBondContact OD1-NE2 3.19Å; T100-H158 HydrophobicContact CG2-CB 3.56Å; R124-H158 PolarHBondContact NH2-CE1 3.17Å; R124-H158 PolarHBondContact NH2-NE2 2.91Å; H158-V160 VanDerWaalsContact C-N 3.35Å; H158-V160 PolarHBondContact O-N 2.98Å; H158-V160 VanDerWaalsContact O-N 3.1Å; H158-C234 VanDerWaalsContact O-CB 3.23Å; H158-C234 WeakPolarHBondContact O-CB 3.35Å
159	D	94	Very high	96.2	Very high	42 Å²	42	20.8 Å²	20.8	23%	0.225	12%	0.12	C	C	.	.	S	Bend	trans	-81	81.8	168.9	-169.7	-15.2	0	0	0	110.1	R148 S157 G161 T162	R148-D159 IonicContact CZ-OD1 2.9Å; R148-D159 IonicContact NH1-OD1 3.63Å; R148-D159 PolarHBondContact NH1-OD1 2.67Å; R148-D159 IonicContact NH2-OD1 3.82Å; R148-D159 PolarHBondContact NH2-OD1 3.32Å; R148-D159 IonicContact NH2-OD2 3.49Å; S157-D159 PolarHBondContact O-N 2.96Å; S157-D159 PolarHBondContact OG-N 2.94Å; D159-G161 PolarHBondContact O-N 2.96Å; D159-T162 HydrophobicContact CB-CG2 4.07Å; D159-T162 WeakPolarHBondContact O-CB 3.5Å; D159-T162 WeakPolarHBondContact O-CG2 3.07Å; D159-T162 PolarHBondContact O-N 3.43Å; D159-T162 VanDerWaalsContact O-N 3.15Å; D159-T162 PolarHBondContact O-OG1 2.97Å; D159-T162 VanDerWaalsContact OD1-CG2 3.25Å; D159-T162 WeakPolarHBondContact OD1-CG2 3.42Å
160	V	96.5	Very high	96.1	Very high	2 Å²	2	21 Å²	21	1%	0.012	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	124.6	-169.4	-176.3	0	0	0	0	112.7	R148 H158 C234	R148-V160 PolarHBondContact NH1-O 3.44Å; H158-V160 VanDerWaalsContact C-N 3.35Å; H158-V160 PolarHBondContact O-N 2.98Å; H158-V160 VanDerWaalsContact O-N 3.1Å; V160-C234 HydrophobicContact CG2-CB 4.22Å
161	G	94.3	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	4.3	178.4	0	0	0	0	0	114.5	D159 S166 S176 H177 R178 R179	D159-G161 PolarHBondContact O-N 2.96Å; G161-S166 WeakPolarHBondContact CA-OG 3.16Å; G161-S166 PolarHBondContact N-OG 3.31Å; G161-S176 VanDerWaalsContact CA-O 3.25Å; G161-S176 WeakPolarHBondContact CA-O 3.41Å; G161-H177 CarbonylContact O-C 3.49Å; G161-H177 WeakPolarHBondContact O-CA 3.19Å; G161-H177 PolarHBondContact O-N 3.13Å; G161-R178 PolarHBondContact O-N 3.24Å; G161-R178 VanDerWaalsContact O-N 3.07Å; G161-R179 PolarHBondContact O-N 3.31Å
162	T	94.5	Very high	95.7	Very high	17 Å²	17	25.4 Å²	25.4	10%	0.104	15%	0.151	C	C	.	.	S	Bend	trans	-94.3	0.2	179.6	63.5	0	0	0	0	114.8	D159 R179	D159-T162 HydrophobicContact CB-CG2 4.07Å; D159-T162 WeakPolarHBondContact O-CB 3.5Å; D159-T162 WeakPolarHBondContact O-CG2 3.07Å; D159-T162 PolarHBondContact O-N 3.43Å; D159-T162 VanDerWaalsContact O-N 3.15Å; D159-T162 PolarHBondContact O-OG1 2.97Å; D159-T162 VanDerWaalsContact OD1-CG2 3.25Å; D159-T162 WeakPolarHBondContact OD1-CG2 3.42Å; T162-R179 HydrophobicContact CG2-CG 4.21Å; T162-R179 WeakPolarHBondContact O-CG 3.26Å; T162-R179 PolarHBondContact O-NE 3.44Å
163	D	95.6	Very high	95.5	Very high	34 Å²	34	25.7 Å²	25.7	18%	0.182	15%	0.153	C	C	.	.	S	Bend	trans	-135.7	-174.8	179.4	59.4	51.3	0	0	0	111.3	A156 S157 E165 S166 H177 R178	A156-D163 WeakPolarHBondContact CA-OD2 3.41Å; S157-D163 WeakPolarHBondContact CB-OD2 3.4Å; S157-D163 PolarHBondContact N-OD2 3.22Å; D163-E165 WeakPolarHBondContact OD1-CA 3.2Å; D163-E165 PolarHBondContact OD1-N 2.99Å; D163-S166 VanDerWaalsContact CG-OG 3.25Å; D163-S166 WeakPolarHBondContact OD1-CB 3.15Å; D163-S166 PolarHBondContact OD1-N 3.38Å; D163-S166 PolarHBondContact OD1-OG 2.63Å; D163-S166 PolarHBondContact OD2-OG 2.8Å; D163-H177 PolarHBondContact O-ND1 3.17Å; D163-R178 WeakPolarHBondContact O-CA 3.23Å; D163-R178 WeakPolarHBondContact O-CG 3.2Å; D163-R178 PolarHBondContact O-N 3.43Å
164	A	95.2	Very high	95.5	Very high	42 Å²	42	29.6 Å²	29.6	35%	0.347	17%	0.17	S	C	.	.	S	Bend	trans	-86.6	-2.3	-178.5	0	0	0	0	0	114.1	H177 R178	A164-H177 PolarHBondContact O-CE1 3.11Å; A164-R178 HydrophobicContact CB-CG 4.02Å
165	E	96.9	Very high	95.6	Very high	40 Å²	40	29.4 Å²	29.4	19%	0.187	17%	0.169	C	C	.	.	S	Bend	trans	-117.9	6.9	-177.5	-58.1	-151.6	-170.1	0	0	113.3	S152 T153 A156 D163 L224 K227	S152-E165 VanDerWaalsContact CA-O 3.29Å; S152-E165 WeakPolarHBondContact CA-O 3.17Å; T153-E165 WeakPolarHBondContact CB-OE2 3.29Å; T153-E165 HydrophobicContact CG2-CB 4.07Å; T153-E165 WeakPolarHBondContact CG2-OE2 3.27Å; T153-E165 PolarHBondContact N-O 3.48Å; T153-E165 WeakPolarHBondContact OG1-CB 3.19Å; T153-E165 PolarHBondContact OG1-OE2 3.05Å; A156-E165 HydrophobicContact CB-CB 4.09Å; D163-E165 WeakPolarHBondContact OD1-CA 3.2Å; D163-E165 PolarHBondContact OD1-N 2.99Å; E165-L224 HydrophobicContact CG-CD2 4.17Å; E165-K227 IonicContact OE1-NZ 3.82Å; E165-K227 PolarHBondContact OE1-NZ 3.4Å; E165-K227 IonicContact OE2-NZ 3.49Å; E165-K227 PolarHBondContact OE2-NZ 2.91Å
166	S	97.4	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.2	175.4	56.2	0	0	0	0	112.8	W151 G161 D163 H177	W151-S166 CarbonylContact O-C 3.35Å; W151-S166 WeakPolarHBondContact O-CA 3.31Å; G161-S166 WeakPolarHBondContact CA-OG 3.16Å; G161-S166 PolarHBondContact N-OG 3.31Å; D163-S166 VanDerWaalsContact CG-OG 3.25Å; D163-S166 WeakPolarHBondContact OD1-CB 3.15Å; D163-S166 PolarHBondContact OD1-N 3.38Å; D163-S166 PolarHBondContact OD1-OG 2.63Å; D163-S166 PolarHBondContact OD2-OG 2.8Å; S166-H177 PolarHBondContact O-ND1 3.28Å
167	F	98.4	Very high	95.8	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.013	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	176.9	-54.6	-89.7	0	0	0	107.9	G150 W151 H177 I205 W207 Y218 L224	G150-F167 CarbonylContact C-O 3.48Å; G150-F167 WeakPolarHBondContact CA-O 3.39Å; W151-F167 PolarHBondContact N-O 3.32Å; W151-F167 PolarHBondContact O-N 3.44Å; F167-H177 HydrophobicContact CD1-CB 4.22Å; F167-H177 AromaticContact CD1-CG 3.91Å; F167-H177 AromaticContact CD1-ND1 3.53Å; F167-H177 AromaticContact CE1-CE1 3.47Å; F167-H177 VanDerWaalsContact CE1-CE1 3.47Å; F167-H177 WeakPolarHBondContact CE1-CE1 3.5Å; F167-H177 AromaticContact CE1-CG 3.88Å; F167-H177 AromaticContact CE1-ND1 3.43Å; F167-H177 WeakPolarHBondContact CE1-ND1 3.25Å; F167-H177 AromaticContact CE1-NE2 3.99Å; F167-H177 AromaticContact CZ-CE1 3.73Å; F167-I205 HydrophobicContact CB-CD1 3.76Å; F167-I205 HydrophobicContact CD1-CD1 4.25Å; F167-I205 HydrophobicContact CD2-CD1 3.57Å; F167-I205 HydrophobicContact CE2-CD1 4.21Å; F167-I205 HydrophobicContact CG-CD1 3.59Å; F167-W207 HydrophobicContact CB-CH2 4.26Å; F167-Y218 HydrophobicContact CB-CD2 4.13Å; F167-Y218 HydrophobicContact CB-CE2 4.4Å; F167-Y218 HydrophobicContact CD1-CD1 4.33Å; F167-Y218 AromaticContact CD1-CD2 3.69Å; F167-Y218 HydrophobicContact CD1-CD2 3.69Å; F167-Y218 HydrophobicContact CD1-CE2 4.24Å; F167-Y218 AromaticContact CD1-CG 3.74Å; F167-Y218 HydrophobicContact CD1-CG 3.74Å; F167-Y218 HydrophobicContact CE1-CG 4.25Å; F167-Y218 HydrophobicContact CG-CD2 4.34Å; F167-L224 HydrophobicContact CE2-CD1 3.88Å; F167-L224 HydrophobicContact CZ-CD1 3.93Å
168	G	97.7	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.4	-176	0	0	0	0	0	113	V149 M175 S176	V149-G168 CarbonylContact O-C 3.58Å; V149-G168 WeakPolarHBondContact O-CA 3.27Å; G168-M175 CarbonylContact O-C 3.57Å; G168-M175 VanDerWaalsContact O-CA 3.31Å; G168-M175 WeakPolarHBondContact O-CA 3.37Å; G168-S176 PolarHBondContact N-O 2.64Å; G168-S176 PolarHBondContact O-N 3.36Å; G168-S176 PolarHBondContact O-OG 3.1Å
169	F	98.4	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.7	166.3	176	-122.9	0	0	0	108.8	R148 V149 K174 Y184 E186 F188 I194 W207 F214	R148-F169 CarbonylContact C-O 3.54Å; R148-F169 VanDerWaalsContact CA-O 3.25Å; R148-F169 WeakPolarHBondContact CA-O 3.45Å; V149-F169 PolarHBondContact N-O 3.47Å; V149-F169 PolarHBondContact O-N 3.47Å; F169-K174 WeakPolarHBondContact CD2-O 3.41Å; F169-Y184 HydrophobicContact CD2-CD1 4.02Å; F169-Y184 AromaticContact CE2-CD1 3.99Å; F169-Y184 HydrophobicContact CE2-CD1 3.99Å; F169-E186 WeakPolarHBondContact CZ-O 3.44Å; F169-F188 HydrophobicContact CD1-CD1 4.34Å; F169-F188 AromaticContact CD1-CE1 3.57Å; F169-F188 HydrophobicContact CD1-CE1 3.57Å; F169-F188 HydrophobicContact CD1-CZ 4.29Å; F169-F188 AromaticContact CE1-CD1 3.62Å; F169-F188 HydrophobicContact CE1-CD1 3.62Å; F169-F188 AromaticContact CE1-CE1 3.3Å; F169-F188 HydrophobicContact CE1-CE1 3.3Å; F169-F188 HydrophobicContact CE1-CZ 4.36Å; F169-F188 HydrophobicContact CE2-CE1 4.5Å; F169-F188 HydrophobicContact CG-CE1 4.28Å; F169-F188 AromaticContact CZ-CD1 3.93Å; F169-F188 HydrophobicContact CZ-CD1 3.93Å; F169-F188 AromaticContact CZ-CE1 3.82Å; F169-F188 HydrophobicContact CZ-CE1 3.82Å; F169-I194 HydrophobicContact CD1-CG2 4.03Å; F169-I194 HydrophobicContact CE1-CD1 4.39Å; F169-I194 HydrophobicContact CE1-CG2 4.38Å; F169-W207 HydrophobicContact CB-CB 4.47Å; F169-W207 HydrophobicContact CB-CD2 3.44Å; F169-W207 VanDerWaalsContact CB-CD2 3.44Å; F169-W207 HydrophobicContact CB-CE3 3.79Å; F169-W207 HydrophobicContact CB-CG 3.74Å; F169-W207 HydrophobicContact CB-CH2 4.3Å; F169-W207 HydrophobicContact CB-CZ2 4.02Å; F169-W207 HydrophobicContact CB-CZ3 4.19Å; F169-W207 HydrophobicContact CD1-CB 3.8Å; F169-W207 HydrophobicContact CD1-CD2 4.43Å; F169-W207 AromaticContact CD1-CG 3.86Å; F169-W207 HydrophobicContact CD1-CG 3.86Å; F169-W207 HydrophobicContact CE1-CB 4.32Å; F169-W207 HydrophobicContact CG-CB 4.23Å; F169-W207 HydrophobicContact CG-CD2 4.11Å; F169-W207 HydrophobicContact CG-CE3 4.39Å; F169-W207 HydrophobicContact CG-CG 4.02Å; F169-F214 HydrophobicContact CE1-CD2 4.49Å; F169-F214 AromaticContact CE1-CE2 3.96Å; F169-F214 HydrophobicContact CE1-CE2 3.96Å; F169-F214 HydrophobicContact CZ-CD2 4.34Å; F169-F214 AromaticContact CZ-CE2 3.81Å; F169-F214 HydrophobicContact CZ-CE2 3.81Å
170	G	96.4	Very high	95.7	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156.4	-169.4	0	0	0	0	0	114.7	C147 T172 G173 K174 F188	C147-G170 CarbonylContact O-C 3.57Å; C147-G170 WeakPolarHBondContact O-CA 3.06Å; G170-T172 PolarHBondContact O-N 3.12Å; G170-G173 PolarHBondContact O-N 2.86Å; G170-K174 PolarHBondContact N-O 2.88Å; G170-F188 VanDerWaalsContact C-CZ 3.44Å; G170-F188 WeakPolarHBondContact O-CE1 3.29Å
171	G	93.2	Very high	95.6	Very high	8 Å²	8	44 Å²	44	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.6	-177.8	0	0	0	0	0	115.1	C147 G173 A187 F188	C147-G171 PolarHBondContact O-N 3.23Å; G171-G173 PolarHBondContact O-N 3.25Å; G171-A187 CarbonylContact O-C 3.57Å; G171-A187 WeakPolarHBondContact O-CA 3.26Å; G171-A187 WeakPolarHBondContact O-CB 3.05Å; G171-F188 VanDerWaalsContact CA-CE1 3.49Å; G171-F188 WeakPolarHBondContact CA-O 3.37Å; G171-F188 VanDerWaalsContact N-CZ 3.3Å; G171-F188 PolarHBondContact O-N 3Å; G171-F188 VanDerWaalsContact O-O 3.13Å
172	T	93.6	Very high	95.7	Very high	86 Å²	86	47.6 Å²	47.6	53%	0.528	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.9	173.6	57.3	0	0	0	0	114.1	L146 G170 K174	L146-T172 HydrophobicContact CD2-CG2 4.09Å; G170-T172 PolarHBondContact O-N 3.12Å; T172-K174 VanDerWaalsContact C-N 3.33Å
173	G	94.5	Very high	95.8	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	15.9	-179.5	0	0	0	0	0	114.1	G170 G171 Y184 G185 E186	G170-G173 PolarHBondContact O-N 2.86Å; G171-G173 PolarHBondContact O-N 3.25Å; G173-Y184 PolarHBondContact O-N 3.3Å; G173-G185 PolarHBondContact O-N 3.32Å; G173-E186 WeakPolarHBondContact CA-O 3.45Å
174	K	96.7	Very high	95.8	Very high	84 Å²	84	52.5 Å²	52.5	37%	0.365	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.3	-177.8	-61.6	-169.7	-179.8	-171.2	0	111.9	F169 G170 T172 F181 D182	F169-K174 WeakPolarHBondContact CD2-O 3.41Å; G170-K174 PolarHBondContact N-O 2.88Å; T172-K174 VanDerWaalsContact C-N 3.33Å; K174-F181 HydrophobicContact CD-CB 4Å; K174-D182 CarbonylContact C-O 3.58Å; K174-D182 WeakPolarHBondContact CA-O 3.4Å; K174-D182 WeakPolarHBondContact CB-O 3.35Å
175	M	96.8	Very high	95.8	Very high	29 Å²	29	51.7 Å²	51.7	14%	0.143	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147	164.5	64.9	179.8	178	0	0	109.7	G168 F181 D182 Y184 A217 Y218	G168-M175 CarbonylContact O-C 3.57Å; G168-M175 VanDerWaalsContact O-CA 3.31Å; G168-M175 WeakPolarHBondContact O-CA 3.37Å; M175-F181 WeakPolarHBondContact O-CA 3.48Å; M175-D182 HydrophobicContact CE-CB 3.98Å; M175-D182 HydrophobicContact CG-CB 4.32Å; M175-D182 PolarHBondContact N-O 3.4Å; M175-D182 PolarHBondContact O-N 2.94Å; M175-Y184 HydrophobicContact CB-CD1 4.32Å; M175-Y184 HydrophobicContact CB-CG 4.17Å; M175-Y184 HydrophobicContact CE-CD2 4.36Å; M175-Y184 HydrophobicContact CG-CG 4.11Å; M175-Y184 HydrophobicContact SD-CD2 3.66Å; M175-Y184 HydrophobicContact SD-CE2 4.42Å; M175-Y184 HydrophobicContact SD-CG 3.75Å; M175-A217 HydrophobicContact SD-CB 3.79Å; M175-Y218 VanDerWaalsContact C-OH 3.24Å; M175-Y218 HydrophobicContact CB-CE2 3.91Å; M175-Y218 WeakPolarHBondContact CB-OH 3.5Å; M175-Y218 HydrophobicContact CG-CE2 4.25Å; M175-Y218 VanDerWaalsContact CG-OH 3.28Å; M175-Y218 WeakPolarHBondContact CG-OH 3.24Å; M175-Y218 HydrophobicContact SD-CE1 4.18Å; M175-Y218 HydrophobicContact SD-CE2 4.12Å
176	S	96.3	Very high	95.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131	-175.3	59	0	0	0	0	113.8	G161 G168 Q180 F181 Y218	G161-S176 VanDerWaalsContact CA-O 3.25Å; G161-S176 WeakPolarHBondContact CA-O 3.41Å; G168-S176 PolarHBondContact N-O 2.64Å; G168-S176 PolarHBondContact O-N 3.36Å; G168-S176 PolarHBondContact O-OG 3.1Å; S176-Q180 WeakPolarHBondContact CA-O 3.48Å; S176-F181 VanDerWaalsContact CB-CD1 3.5Å; S176-F181 VanDerWaalsContact CB-CE1 3.5Å; S176-Y218 VanDerWaalsContact C-OH 3.24Å; S176-Y218 WeakPolarHBondContact CA-OH 3.08Å; S176-Y218 PolarHBondContact N-OH 3.09Å
177	H	96.8	Very high	95.7	Very high	26 Å²	26	56.4 Å²	56.4	12%	0.12	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	137.3	171.6	-178.9	65.2	0	0	0	108.7	G161 D163 A164 S166 F167 R179 Q180 Y218	G161-H177 CarbonylContact O-C 3.49Å; G161-H177 WeakPolarHBondContact O-CA 3.19Å; G161-H177 PolarHBondContact O-N 3.13Å; D163-H177 PolarHBondContact O-ND1 3.17Å; A164-H177 PolarHBondContact O-CE1 3.11Å; S166-H177 PolarHBondContact O-ND1 3.28Å; F167-H177 HydrophobicContact CD1-CB 4.22Å; F167-H177 AromaticContact CD1-CG 3.91Å; F167-H177 AromaticContact CD1-ND1 3.53Å; F167-H177 AromaticContact CE1-CE1 3.47Å; F167-H177 VanDerWaalsContact CE1-CE1 3.47Å; F167-H177 WeakPolarHBondContact CE1-CE1 3.5Å; F167-H177 AromaticContact CE1-CG 3.88Å; F167-H177 AromaticContact CE1-ND1 3.43Å; F167-H177 WeakPolarHBondContact CE1-ND1 3.25Å; F167-H177 AromaticContact CE1-NE2 3.99Å; F167-H177 AromaticContact CZ-CE1 3.73Å; H177-R179 PolarHBondContact O-N 3.41Å; H177-Q180 PolarHBondContact N-O 3.19Å; H177-Q180 WeakPolarHBondContact O-CB 3.35Å; H177-Q180 PolarHBondContact O-N 2.93Å; H177-Y218 HydrophobicContact CB-CE1 3.92Å; H177-Y218 HydrophobicContact CB-CE2 4.49Å; H177-Y218 PolarHBondContact N-OH 3.43Å
178	R	95.7	Very high	95.6	Very high	145 Å²	145	57 Å²	57	55%	0.547	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	37.4	-178.1	-59.7	172.9	-172.9	-157.1	-4.2	114.6	G161 D163 A164 Q180	G161-R178 PolarHBondContact O-N 3.24Å; G161-R178 VanDerWaalsContact O-N 3.07Å; D163-R178 WeakPolarHBondContact O-CA 3.23Å; D163-R178 WeakPolarHBondContact O-CG 3.2Å; D163-R178 PolarHBondContact O-N 3.43Å; A164-R178 HydrophobicContact CB-CG 4.02Å; R178-Q180 PolarHBondContact O-N 3.2Å; R178-Q180 VanDerWaalsContact O-N 3.14Å
179	R	92	Very high	95.5	Very high	183 Å²	183	58 Å²	58	69%	0.691	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	12.6	-175.7	-48.4	-173.6	173.7	-159.8	-5.9	114.5	G161 T162 H177 F181	G161-R179 PolarHBondContact O-N 3.31Å; T162-R179 HydrophobicContact CG2-CG 4.21Å; T162-R179 WeakPolarHBondContact O-CG 3.26Å; T162-R179 PolarHBondContact O-NE 3.44Å; H177-R179 PolarHBondContact O-N 3.41Å; R179-F181 HydrophobicContact CB-CE2 4.4Å; R179-F181 WeakPolarHBondContact O-CD2 3.36Å; R179-F181 WeakPolarHBondContact O-CE2 3.36Å
180	Q	93.9	Very high	95.3	Very high	131 Å²	131	64 Å²	64	61%	0.612	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	133.5	166.9	-65	-177.7	-8.9	0	0	107.8	S176 H177 R178	S176-Q180 WeakPolarHBondContact CA-O 3.48Å; H177-Q180 PolarHBondContact N-O 3.19Å; H177-Q180 WeakPolarHBondContact O-CB 3.35Å; H177-Q180 PolarHBondContact O-N 2.93Å; R178-Q180 PolarHBondContact O-N 3.2Å; R178-Q180 VanDerWaalsContact O-N 3.14Å
181	F	94	Very high	95.3	Very high	88 Å²	88	66 Å²	66	39%	0.386	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	96.7	-174.1	-66.5	-91.9	0	0	0	109.3	K174 M175 S176 R179	K174-F181 HydrophobicContact CD-CB 4Å; M175-F181 WeakPolarHBondContact O-CA 3.48Å; S176-F181 VanDerWaalsContact CB-CD1 3.5Å; S176-F181 VanDerWaalsContact CB-CE1 3.5Å; R179-F181 HydrophobicContact CB-CE2 4.4Å; R179-F181 WeakPolarHBondContact O-CD2 3.36Å; R179-F181 WeakPolarHBondContact O-CE2 3.36Å
182	D	96.2	Very high	95.6	Very high	76 Å²	76	66.9 Å²	66.9	41%	0.406	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.4	-174.6	-60.5	-53.1	0	0	0	110.8	K174 M175	K174-D182 CarbonylContact C-O 3.58Å; K174-D182 WeakPolarHBondContact CA-O 3.4Å; K174-D182 WeakPolarHBondContact CB-O 3.35Å; M175-D182 HydrophobicContact CE-CB 3.98Å; M175-D182 HydrophobicContact CG-CB 4.32Å; M175-D182 PolarHBondContact N-O 3.4Å; M175-D182 PolarHBondContact O-N 2.94Å
183	S	96.8	Very high	95.8	Very high	105 Å²	105	63 Å²	63	73%	0.734	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.6	174.1	-54.3	0	0	0	0	109.4
184	Y	95	Very high	96	Very high	48 Å²	48	62.8 Å²	62.8	19%	0.188	32%	0.323	C	S	.	.			trans	-145.8	-59.8	-172.9	167.7	-105.7	0	0	0	112.9	F169 G173 M175 W207 F214 G215 A217	F169-Y184 HydrophobicContact CD2-CD1 4.02Å; F169-Y184 AromaticContact CE2-CD1 3.99Å; F169-Y184 HydrophobicContact CE2-CD1 3.99Å; G173-Y184 PolarHBondContact O-N 3.3Å; M175-Y184 HydrophobicContact CB-CD1 4.32Å; M175-Y184 HydrophobicContact CB-CG 4.17Å; M175-Y184 HydrophobicContact CE-CD2 4.36Å; M175-Y184 HydrophobicContact CG-CG 4.11Å; M175-Y184 HydrophobicContact SD-CD2 3.66Å; M175-Y184 HydrophobicContact SD-CE2 4.42Å; M175-Y184 HydrophobicContact SD-CG 3.75Å; Y184-W207 HydrophobicContact CE1-CB 4.5Å; Y184-W207 HydrophobicContact CE1-CE3 4.13Å; Y184-F214 HydrophobicContact CE1-CB 3.72Å; Y184-F214 HydrophobicContact CE1-CD2 4Å; Y184-F214 HydrophobicContact CE1-CG 4.24Å; Y184-F214 HydrophobicContact CE2-CB 4.46Å; Y184-F214 WeakPolarHBondContact OH-CB 3.41Å; Y184-G215 PolarHBondContact OH-O 3.13Å; Y184-A217 HydrophobicContact CD2-CB 4.21Å; Y184-A217 HydrophobicContact CE1-CB 4.13Å; Y184-A217 HydrophobicContact CE2-CB 3.67Å
185	G	94.3	Very high	96.1	Very high	25 Å²	25	58.8 Å²	58.8	26%	0.258	31%	0.306	S	S	.	.	S	Bend	trans	-114.6	-151.7	-177.6	0	0	0	0	0	111.3	G173	G173-G185 PolarHBondContact O-N 3.32Å
186	E	96.3	Very high	96.2	Very high	81 Å²	81	57.4 Å²	57.4	38%	0.379	30%	0.3	S	S	.	.			trans	-99.3	151	176.1	-65.4	171.4	-174.5	0	0	110.7	F169 G173 K209 K212 F214	F169-E186 WeakPolarHBondContact CZ-O 3.44Å; G173-E186 WeakPolarHBondContact CA-O 3.45Å; E186-K209 HydrophobicContact CB-CD 4.23Å; E186-K212 IonicContact OE1-NZ 3.97Å; E186-K212 PolarHBondContact OE1-NZ 3.47Å; E186-F214 HydrophobicContact CB-CE1 4.46Å; E186-F214 HydrophobicContact CB-CZ 4.09Å; E186-F214 HydrophobicContact CG-CE1 4.15Å; E186-F214 HydrophobicContact CG-CZ 4.29Å
187	A	95.9	Very high	96.3	Very high	59 Å²	59	57.7 Å²	57.7	49%	0.488	30%	0.301	S	S	.	.			trans	-62.9	148.1	169.3	0	0	0	0	0	110.6	G171 K209	G171-A187 CarbonylContact O-C 3.57Å; G171-A187 WeakPolarHBondContact O-CA 3.26Å; G171-A187 WeakPolarHBondContact O-CB 3.05Å; A187-K209 PolarHBondContact O-NZ 3.48Å
188	F	97.5	Very high	96.3	Very high	14 Å²	14	56.5 Å²	56.5	6%	0.061	30%	0.295	C	S	.	.			trans	-144.7	155.1	-178.7	66.2	-94.9	0	0	0	111.5	V141 C147 F169 G170 G171 D192 I194 K209	V141-F188 HydrophobicContact CG2-CD2 4Å; V141-F188 HydrophobicContact CG2-CE2 4.16Å; C147-F188 WeakPolarHBondContact SG-CE2 3.37Å; F169-F188 HydrophobicContact CD1-CD1 4.34Å; F169-F188 AromaticContact CD1-CE1 3.57Å; F169-F188 HydrophobicContact CD1-CE1 3.57Å; F169-F188 HydrophobicContact CD1-CZ 4.29Å; F169-F188 AromaticContact CE1-CD1 3.62Å; F169-F188 HydrophobicContact CE1-CD1 3.62Å; F169-F188 AromaticContact CE1-CE1 3.3Å; F169-F188 HydrophobicContact CE1-CE1 3.3Å; F169-F188 HydrophobicContact CE1-CZ 4.36Å; F169-F188 HydrophobicContact CE2-CE1 4.5Å; F169-F188 HydrophobicContact CG-CE1 4.28Å; F169-F188 AromaticContact CZ-CD1 3.93Å; F169-F188 HydrophobicContact CZ-CD1 3.93Å; F169-F188 AromaticContact CZ-CE1 3.82Å; F169-F188 HydrophobicContact CZ-CE1 3.82Å; G170-F188 VanDerWaalsContact C-CZ 3.44Å; G170-F188 WeakPolarHBondContact O-CE1 3.29Å; G171-F188 VanDerWaalsContact CA-CE1 3.49Å; G171-F188 WeakPolarHBondContact CA-O 3.37Å; G171-F188 VanDerWaalsContact N-CZ 3.3Å; G171-F188 PolarHBondContact O-N 3Å; G171-F188 VanDerWaalsContact O-O 3.13Å; F188-D192 WeakPolarHBondContact CA-OD2 3.24Å; F188-D192 HydrophobicContact CB-CB 3.95Å; F188-D192 WeakPolarHBondContact CB-OD2 3.37Å; F188-I194 HydrophobicContact CB-CD1 3.89Å; F188-I194 HydrophobicContact CD1-CD1 3.69Å; F188-I194 HydrophobicContact CD1-CG1 4.23Å; F188-I194 HydrophobicContact CD2-CD1 3.75Å; F188-I194 HydrophobicContact CD2-CG1 3.7Å; F188-I194 HydrophobicContact CE1-CD1 4.07Å; F188-I194 HydrophobicContact CE1-CG1 4.18Å; F188-I194 HydrophobicContact CE2-CD1 4.12Å; F188-I194 HydrophobicContact CE2-CG1 3.64Å; F188-I194 HydrophobicContact CG-CD1 3.52Å; F188-I194 HydrophobicContact CG-CG1 4Å; F188-I194 HydrophobicContact CZ-CD1 4.28Å; F188-I194 HydrophobicContact CZ-CG1 3.89Å; F188-K209 HydrophobicContact CB-CD 4.09Å; F188-K209 HydrophobicContact CB-CG 4.47Å
189	G	94.6	Very high	96.4	Very high	22 Å²	22	50 Å²	50	23%	0.227	27%	0.271	C	S	.	.			trans	-159	-155.1	-178.2	0	0	0	0	0	111.5	V141 G191 D192	V141-G189 VanDerWaalsContact CB-O 3.31Å; V141-G189 WeakPolarHBondContact CB-O 3.25Å; G189-G191 PolarHBondContact O-N 3.28Å; G189-D192 PolarHBondContact N-OD2 2.87Å; G189-D192 VanDerWaalsContact O-CB 3.31Å; G189-D192 WeakPolarHBondContact O-CB 3.2Å; G189-D192 PolarHBondContact O-N 2.89Å
190	K	95.5	Very high	96.7	Very high	125 Å²	125	41.4 Å²	41.4	54%	0.543	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	128.2	-177.8	-175.8	175.2	-177	165.8	0	112.1	T142 D143 E144	T142-K190 WeakPolarHBondContact O-CE 3.36Å; D143-K190 IonicContact OD1-NZ 3.7Å; E144-K190 HydrophobicContact CG-CB 4.34Å; E144-K190 HydrophobicContact CG-CD 4.07Å
191	G	95.9	Very high	96.7	Very high	46 Å²	46	39.3 Å²	39.3	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-11.5	-179.1	0	0	0	0	0	115	H140 V141 G189	H140-G191 PolarHBondContact CE1-O 2.82Å; V141-G191 PolarHBondContact O-N 3.4Å; G189-G191 PolarHBondContact O-N 3.28Å
192	D	98.3	Very high	96.8	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.144	24%	0.239	C	C	.	.			trans	-84.9	143.3	176.9	-67.4	-49.6	0	0	0	111.9	V141 F188 G189 K209 N210	V141-D192 PolarHBondContact N-O 2.82Å; F188-D192 WeakPolarHBondContact CA-OD2 3.24Å; F188-D192 HydrophobicContact CB-CB 3.95Å; F188-D192 WeakPolarHBondContact CB-OD2 3.37Å; G189-D192 PolarHBondContact N-OD2 2.87Å; G189-D192 VanDerWaalsContact O-CB 3.31Å; G189-D192 WeakPolarHBondContact O-CB 3.2Å; G189-D192 PolarHBondContact O-N 2.89Å; D192-K209 WeakPolarHBondContact OD1-CE 3.4Å; D192-K209 IonicContact OD1-NZ 2.83Å; D192-K209 PolarHBondContact OD1-NZ 3.07Å; D192-K209 WeakPolarHBondContact OD2-CE 3.34Å; D192-K209 IonicContact OD2-NZ 3.32Å; D192-K209 PolarHBondContact OD2-NZ 2.8Å; D192-N210 WeakPolarHBondContact CA-OD1 3.49Å; D192-N210 PolarHBondContact OD1-ND2 3.18Å
193	T	98.5	Very high	96.8	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	171.7	-58.7	0	0	0	0	110.4	E138 H140 N210 F251	E138-T193 HydrophobicContact CB-CG2 3.9Å; E138-T193 HydrophobicContact CG-CG2 4.01Å; H140-T193 PolarHBondContact ND1-OG1 2.97Å; T193-N210 PolarHBondContact N-OD1 3.42Å; T193-N210 PolarHBondContact O-N 3.2Å; T193-N210 PolarHBondContact O-OD1 3.13Å; T193-F251 HydrophobicContact CG2-CD2 3.88Å; T193-F251 HydrophobicContact CG2-CE2 4.27Å
194	I	98.6	Very high	96.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.4	179.2	-53.7	-54.7	0	0	0	110	E138 A139 V149 F169 F188 S208 K209	E138-I194 WeakPolarHBondContact CA-O 3.39Å; A139-I194 PolarHBondContact N-O 3.2Å; A139-I194 PolarHBondContact O-N 3.06Å; V149-I194 HydrophobicContact CG2-CB 4.24Å; V149-I194 HydrophobicContact CG2-CG2 3.73Å; F169-I194 HydrophobicContact CD1-CG2 4.03Å; F169-I194 HydrophobicContact CE1-CD1 4.39Å; F169-I194 HydrophobicContact CE1-CG2 4.38Å; F188-I194 HydrophobicContact CB-CD1 3.89Å; F188-I194 HydrophobicContact CD1-CD1 3.69Å; F188-I194 HydrophobicContact CD1-CG1 4.23Å; F188-I194 HydrophobicContact CD2-CD1 3.75Å; F188-I194 HydrophobicContact CD2-CG1 3.7Å; F188-I194 HydrophobicContact CE1-CD1 4.07Å; F188-I194 HydrophobicContact CE1-CG1 4.18Å; F188-I194 HydrophobicContact CE2-CD1 4.12Å; F188-I194 HydrophobicContact CE2-CG1 3.64Å; F188-I194 HydrophobicContact CG-CD1 3.52Å; F188-I194 HydrophobicContact CG-CG1 4Å; F188-I194 HydrophobicContact CZ-CD1 4.28Å; F188-I194 HydrophobicContact CZ-CG1 3.89Å; I194-S208 WeakPolarHBondContact CA-O 3.37Å; I194-S208 WeakPolarHBondContact CG2-O 3.28Å; I194-K209 HydrophobicContact CD1-CB 4.09Å; I194-K209 HydrophobicContact CD1-CG 4.03Å
195	G	98.5	Very high	97	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.2	170.9	0	0	0	0	0	110.7	Y136 W207 S208	Y136-G195 VanDerWaalsContact CE2-CA 3.41Å; Y136-G195 VanDerWaalsContact OH-CA 3.25Å; Y136-G195 WeakPolarHBondContact OH-CA 3.13Å; G195-W207 CarbonylContact O-C 3.54Å; G195-W207 VanDerWaalsContact O-CA 3.25Å; G195-W207 WeakPolarHBondContact O-CA 3.36Å; G195-S208 VanDerWaalsContact CA-OG 3.32Å; G195-S208 WeakPolarHBondContact CA-OG 3.22Å; G195-S208 PolarHBondContact N-O 3.28Å; G195-S208 VanDerWaalsContact N-O 3.15Å; G195-S208 PolarHBondContact N-OG 3.21Å; G195-S208 PolarHBondContact O-N 3.28Å
196	C	98.6	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.1	-175.5	-62.2	0	0	0	0	110.1	Y136 Y137 W151	Y136-C196 WeakPolarHBondContact CA-O 3.38Å; Y137-C196 HydrophobicContact CD1-CB 3.78Å; Y137-C196 HydrophobicContact CD2-CB 4.12Å; Y137-C196 HydrophobicContact CE1-CB 3.36Å; Y137-C196 HydrophobicContact CE2-CB 3.71Å; Y137-C196 VanDerWaalsContact CE2-SG 3.5Å; Y137-C196 HydrophobicContact CG-CB 4.13Å; Y137-C196 PolarHBondContact N-O 2.8Å; Y137-C196 PolarHBondContact O-N 2.88Å; Y137-C196 PolarHBondContact OH-SG 3.02Å; W151-C196 HydrophobicContact CZ2-CB 4.35Å
197	F	98.6	Very high	97.3	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.5	-173.1	-65.7	-101.1	0	0	0	111	Y136 I205 S206 L213 P253 W257	Y136-F197 AromaticContact CD2-CD1 3.85Å; Y136-F197 HydrophobicContact CD2-CD1 3.85Å; Y136-F197 HydrophobicContact CD2-CD2 4.04Å; Y136-F197 AromaticContact CD2-CE1 3.65Å; Y136-F197 HydrophobicContact CD2-CE1 3.65Å; Y136-F197 AromaticContact CD2-CE2 3.84Å; Y136-F197 HydrophobicContact CD2-CE2 3.84Å; Y136-F197 HydrophobicContact CD2-CG 4.04Å; Y136-F197 AromaticContact CD2-CZ 3.64Å; Y136-F197 HydrophobicContact CD2-CZ 3.64Å; Y136-F197 HydrophobicContact CE2-CD1 4.39Å; Y136-F197 AromaticContact CE2-CD2 3.99Å; Y136-F197 HydrophobicContact CE2-CD2 3.99Å; Y136-F197 AromaticContact CE2-CE1 3.88Å; Y136-F197 HydrophobicContact CE2-CE1 3.88Å; Y136-F197 AromaticContact CE2-CE2 3.42Å; Y136-F197 HydrophobicContact CE2-CE2 3.42Å; Y136-F197 VanDerWaalsContact CE2-CE2 3.42Å; Y136-F197 HydrophobicContact CE2-CG 4.44Å; Y136-F197 AromaticContact CE2-CZ 3.35Å; Y136-F197 HydrophobicContact CE2-CZ 3.35Å; F197-I205 WeakPolarHBondContact O-CA 3.2Å; F197-S206 WeakPolarHBondContact CB-O 3.36Å; F197-S206 PolarHBondContact N-O 2.86Å; F197-S206 PolarHBondContact O-N 2.93Å; F197-S206 VanDerWaalsContact O-N 3.17Å; F197-L213 HydrophobicContact CD2-CD1 3.82Å; F197-L213 HydrophobicContact CE1-CD1 4.47Å; F197-L213 HydrophobicContact CE2-CD1 3.66Å; F197-L213 HydrophobicContact CG-CD1 4.31Å; F197-L213 HydrophobicContact CZ-CD1 4.02Å; F197-P253 HydrophobicContact CE1-CB 3.63Å; F197-P253 HydrophobicContact CZ-CB 4.17Å; F197-W257 HydrophobicContact CB-CE3 4.42Å; F197-W257 HydrophobicContact CB-CH2 3.73Å; F197-W257 HydrophobicContact CB-CZ3 3.66Å; F197-W257 AromaticContact CD1-CD2 3.8Å; F197-W257 HydrophobicContact CD1-CD2 3.8Å; F197-W257 AromaticContact CD1-CE2 3.89Å; F197-W257 AromaticContact CD1-CE3 3.68Å; F197-W257 HydrophobicContact CD1-CE3 3.68Å; F197-W257 AromaticContact CD1-CH2 3.8Å; F197-W257 HydrophobicContact CD1-CH2 3.8Å; F197-W257 AromaticContact CD1-CZ2 3.9Å; F197-W257 HydrophobicContact CD1-CZ2 3.9Å; F197-W257 AromaticContact CD1-CZ3 3.7Å; F197-W257 HydrophobicContact CD1-CZ3 3.7Å; F197-W257 HydrophobicContact CE1-CD2 4.29Å; F197-W257 HydrophobicContact CG-CH2 4.25Å; F197-W257 HydrophobicContact CG-CZ3 4.18Å
198	L	98.2	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.4	173.2	-179.5	69.1	0	0	0	110.9	V129 R134 Y135 W151 L200 I205 I220 L229	V129-L198 HydrophobicContact CG2-CD2 3.48Å; V129-L198 VanDerWaalsContact CG2-CD2 3.48Å; R134-L198 WeakPolarHBondContact CA-O 3.45Å; Y135-L198 PolarHBondContact N-O 3.4Å; Y135-L198 PolarHBondContact O-N 3.04Å; W151-L198 HydrophobicContact CD2-CB 4.07Å; W151-L198 HydrophobicContact CD2-CD1 4.43Å; W151-L198 HydrophobicContact CD2-CD2 4Å; W151-L198 HydrophobicContact CD2-CG 4.41Å; W151-L198 HydrophobicContact CE3-CB 4.43Å; W151-L198 HydrophobicContact CE3-CD2 3.7Å; W151-L198 HydrophobicContact CG-CD1 4.44Å; W151-L198 HydrophobicContact CH2-CB 3.83Å; W151-L198 HydrophobicContact CH2-CD2 4.04Å; W151-L198 HydrophobicContact CZ2-CB 3.43Å; W151-L198 VanDerWaalsContact CZ2-CB 3.43Å; W151-L198 HydrophobicContact CZ2-CD2 4.36Å; W151-L198 HydrophobicContact CZ2-CG 4.48Å; W151-L198 HydrophobicContact CZ3-CB 4.31Å; W151-L198 HydrophobicContact CZ3-CD2 3.71Å; L198-L200 HydrophobicContact CD1-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CD2 4.09Å; L198-L200 HydrophobicContact CD2-CG 4.23Å; L198-L200 HydrophobicContact CG-CD2 3.97Å; L198-L200 HydrophobicContact CG-CG 4.13Å; L198-I205 HydrophobicContact CD1-CD1 4.23Å; L198-I205 HydrophobicContact CD1-CG1 3.73Å; L198-I220 HydrophobicContact CD1-CD1 3.37Å; L198-L229 HydrophobicContact CD1-CD1 3.73Å; L198-L229 HydrophobicContact CD2-CB 3.99Å; L198-L229 HydrophobicContact CD2-CD1 4.15Å
199	D	97.6	Very high	97.4	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	101.8	174.5	-176.2	-16.6	0	0	0	108.7	R134 D201 N202 G203 S204 W257	R134-D199 HydrophobicContact CG-CB 4.23Å; R134-D199 IonicContact CZ-OD2 2.77Å; R134-D199 IonicContact NE-OD1 2.84Å; R134-D199 PolarHBondContact NE-OD1 3.01Å; R134-D199 IonicContact NE-OD2 3.84Å; R134-D199 PolarHBondContact NE-OD2 2.93Å; R134-D199 VanDerWaalsContact NE-OD2 3.1Å; R134-D199 IonicContact NH2-OD2 2.81Å; D199-D201 WeakPolarHBondContact OD1-CB 3.15Å; D199-D201 PolarHBondContact OD1-N 3.41Å; D199-D201 VanDerWaalsContact OD1-N 3.09Å; D199-N202 PolarHBondContact OD1-N 3.48Å; D199-N202 PolarHBondContact OD2-ND2 3.12Å; D199-G203 CarbonylContact O-C 3.59Å; D199-G203 WeakPolarHBondContact O-CA 3.2Å; D199-G203 PolarHBondContact O-N 3.28Å; D199-S204 PolarHBondContact N-O 3.03Å; D199-S204 PolarHBondContact O-N 3Å; D199-W257 HydrophobicContact CB-CH2 3.79Å; D199-W257 HydrophobicContact CB-CZ3 4.38Å
200	L	96.9	Very high	97.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.5	178.4	-66.4	-176.8	0	0	0	112.9	V129 K130 G133 Y135 L198 G203 I220 L229	V129-L200 HydrophobicContact CB-CD1 4.44Å; V129-L200 HydrophobicContact CG2-CD1 4.3Å; K130-L200 VanDerWaalsContact C-CD1 3.44Å; G133-L200 WeakPolarHBondContact O-CB 3.37Å; G133-L200 PolarHBondContact O-N 2.91Å; Y135-L200 HydrophobicContact CD2-CD1 4.36Å; Y135-L200 HydrophobicContact CE2-CD1 3.93Å; Y135-L200 HydrophobicContact CE2-CG 4.46Å; L198-L200 HydrophobicContact CD1-CD2 4.01Å; L198-L200 HydrophobicContact CD2-CD2 4.09Å; L198-L200 HydrophobicContact CD2-CG 4.23Å; L198-L200 HydrophobicContact CG-CD2 3.97Å; L198-L200 HydrophobicContact CG-CG 4.13Å; L200-G203 PolarHBondContact O-N 3.45Å; L200-I220 HydrophobicContact CD2-CD1 4.03Å; L200-L229 HydrophobicContact CD2-CD1 4.18Å
201	D	95.3	Very high	97.6	Very high	86 Å²	86	22 Å²	22	46%	0.46	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-46.1	179.5	-61.1	-33.2	0	0	0	110.5	S132 G133 D199	S132-D201 WeakPolarHBondContact CA-OD1 3.42Å; S132-D201 WeakPolarHBondContact CB-OD1 3.4Å; G133-D201 PolarHBondContact N-OD1 2.88Å; D199-D201 WeakPolarHBondContact OD1-CB 3.15Å; D199-D201 PolarHBondContact OD1-N 3.41Å; D199-D201 VanDerWaalsContact OD1-N 3.09Å
202	N	95.6	Very high	97.7	Very high	100 Å²	100	25.4 Å²	25.4	54%	0.535	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-20	172.8	-63.5	-47.7	0	0	0	112.4	R134 D199	R134-N202 PolarHBondContact NH2-ND2 3.45Å; R134-N202 VanDerWaalsContact NH2-ND2 3.14Å; D199-N202 PolarHBondContact OD1-N 3.48Å; D199-N202 PolarHBondContact OD2-ND2 3.12Å
203	G	95.9	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	57.7	-178.2	0	0	0	0	0	113.4	D199 L200 I220	D199-G203 CarbonylContact O-C 3.59Å; D199-G203 WeakPolarHBondContact O-CA 3.2Å; D199-G203 PolarHBondContact O-N 3.28Å; L200-G203 PolarHBondContact O-N 3.45Å; G203-I220 PolarHBondContact O-N 3.35Å
204	S	97.6	Very high	97.5	Very high	20 Å²	20	29.4 Å²	29.4	14%	0.14	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.8	178.8	67	0	0	0	0	112.4	D199 Y218	D199-S204 PolarHBondContact N-O 3.03Å; D199-S204 PolarHBondContact O-N 3Å; S204-Y218 VanDerWaalsContact CA-O 3.25Å; S204-Y218 WeakPolarHBondContact CA-O 3.47Å
205	I	98.2	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.1	175.9	-62.2	172.2	0	0	0	109	W151 F167 F197 L198 W207 A217 Y218 I220	W151-I205 HydrophobicContact CB-CD1 4.29Å; W151-I205 HydrophobicContact CG-CD1 4.46Å; F167-I205 HydrophobicContact CB-CD1 3.76Å; F167-I205 HydrophobicContact CD1-CD1 4.25Å; F167-I205 HydrophobicContact CD2-CD1 3.57Å; F167-I205 HydrophobicContact CE2-CD1 4.21Å; F167-I205 HydrophobicContact CG-CD1 3.59Å; F197-I205 WeakPolarHBondContact O-CA 3.2Å; L198-I205 HydrophobicContact CD1-CD1 4.23Å; L198-I205 HydrophobicContact CD1-CG1 3.73Å; I205-W207 HydrophobicContact CG2-CD2 4.38Å; I205-W207 HydrophobicContact CG2-CE3 4.12Å; I205-W207 HydrophobicContact CG2-CH2 3.4Å; I205-W207 HydrophobicContact CG2-CZ2 3.66Å; I205-W207 HydrophobicContact CG2-CZ3 3.65Å; I205-A217 WeakPolarHBondContact O-CB 3.32Å; I205-A217 PolarHBondContact O-N 3.18Å; I205-Y218 PolarHBondContact N-O 3.13Å; I205-Y218 PolarHBondContact O-N 2.79Å; I205-I220 HydrophobicContact CD1-CD1 4.24Å; I205-I220 HydrophobicContact CD1-CG1 3.97Å; I205-I220 HydrophobicContact CG1-CD1 3.81Å; I205-I220 HydrophobicContact CG1-CG1 3.78Å
206	S	98.2	Very high	97.2	Very high	19 Å²	19	37.3 Å²	37.3	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.1	175.4	-73.2	0	0	0	0	110.6	F197 G215	F197-S206 WeakPolarHBondContact CB-O 3.36Å; F197-S206 PolarHBondContact N-O 2.86Å; F197-S206 PolarHBondContact O-N 2.93Å; F197-S206 VanDerWaalsContact O-N 3.17Å; S206-G215 WeakPolarHBondContact CB-O 3.48Å; S206-G215 PolarHBondContact OG-O 2.92Å
207	W	98.5	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.9	174.7	-70.8	-88.1	0	0	0	110.4	F167 F169 Y184 G195 I205 F214 A217 Y218	F167-W207 HydrophobicContact CB-CH2 4.26Å; F169-W207 HydrophobicContact CB-CB 4.47Å; F169-W207 HydrophobicContact CB-CD2 3.44Å; F169-W207 VanDerWaalsContact CB-CD2 3.44Å; F169-W207 HydrophobicContact CB-CE3 3.79Å; F169-W207 HydrophobicContact CB-CG 3.74Å; F169-W207 HydrophobicContact CB-CH2 4.3Å; F169-W207 HydrophobicContact CB-CZ2 4.02Å; F169-W207 HydrophobicContact CB-CZ3 4.19Å; F169-W207 HydrophobicContact CD1-CB 3.8Å; F169-W207 HydrophobicContact CD1-CD2 4.43Å; F169-W207 AromaticContact CD1-CG 3.86Å; F169-W207 HydrophobicContact CD1-CG 3.86Å; F169-W207 HydrophobicContact CE1-CB 4.32Å; F169-W207 HydrophobicContact CG-CB 4.23Å; F169-W207 HydrophobicContact CG-CD2 4.11Å; F169-W207 HydrophobicContact CG-CE3 4.39Å; F169-W207 HydrophobicContact CG-CG 4.02Å; Y184-W207 HydrophobicContact CE1-CB 4.5Å; Y184-W207 HydrophobicContact CE1-CE3 4.13Å; G195-W207 CarbonylContact O-C 3.54Å; G195-W207 VanDerWaalsContact O-CA 3.25Å; G195-W207 WeakPolarHBondContact O-CA 3.36Å; I205-W207 HydrophobicContact CG2-CD2 4.38Å; I205-W207 HydrophobicContact CG2-CE3 4.12Å; I205-W207 HydrophobicContact CG2-CH2 3.4Å; I205-W207 HydrophobicContact CG2-CZ2 3.66Å; I205-W207 HydrophobicContact CG2-CZ3 3.65Å; W207-F214 HydrophobicContact CB-CD2 4.41Å; W207-F214 VanDerWaalsContact O-CB 3.29Å; W207-F214 WeakPolarHBondContact O-CB 3.22Å; W207-F214 VanDerWaalsContact O-CD2 3.24Å; W207-F214 WeakPolarHBondContact O-CD2 3.13Å; W207-F214 PolarHBondContact O-N 2.87Å; W207-A217 HydrophobicContact CE3-CB 3.77Å; W207-A217 HydrophobicContact CZ3-CB 3.43Å; W207-A217 VanDerWaalsContact CZ3-CB 3.43Å; W207-Y218 HydrophobicContact CH2-CD2 4.14Å; W207-Y218 HydrophobicContact CH2-CE2 4.17Å; W207-Y218 HydrophobicContact CZ3-CD2 4.05Å; W207-Y218 HydrophobicContact CZ3-CE2 4.1Å
208	S	98.2	Very high	97.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.3	170.1	69.1	0	0	0	0	110.4	I194 G195 K212	I194-S208 WeakPolarHBondContact CA-O 3.37Å; I194-S208 WeakPolarHBondContact CG2-O 3.28Å; G195-S208 VanDerWaalsContact CA-OG 3.32Å; G195-S208 WeakPolarHBondContact CA-OG 3.22Å; G195-S208 PolarHBondContact N-O 3.28Å; G195-S208 VanDerWaalsContact N-O 3.15Å; G195-S208 PolarHBondContact N-OG 3.21Å; G195-S208 PolarHBondContact O-N 3.28Å; S208-K212 CarbonylContact C-O 3.52Å; S208-K212 WeakPolarHBondContact CA-O 3.4Å; S208-K212 VanDerWaalsContact CB-O 3.25Å; S208-K212 WeakPolarHBondContact CB-O 3.12Å
209	K	98.4	Very high	97	Very high	32 Å²	32	43.8 Å²	43.8	14%	0.139	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.1	168.8	-178.7	-171.6	-179.7	178.4	0	108.6	E186 A187 F188 D192 I194 G211 K212 F214	E186-K209 HydrophobicContact CB-CD 4.23Å; A187-K209 PolarHBondContact O-NZ 3.48Å; F188-K209 HydrophobicContact CB-CD 4.09Å; F188-K209 HydrophobicContact CB-CG 4.47Å; D192-K209 WeakPolarHBondContact OD1-CE 3.4Å; D192-K209 IonicContact OD1-NZ 2.83Å; D192-K209 PolarHBondContact OD1-NZ 3.07Å; D192-K209 WeakPolarHBondContact OD2-CE 3.34Å; D192-K209 IonicContact OD2-NZ 3.32Å; D192-K209 PolarHBondContact OD2-NZ 2.8Å; I194-K209 HydrophobicContact CD1-CB 4.09Å; I194-K209 HydrophobicContact CD1-CG 4.03Å; K209-G211 PolarHBondContact O-N 3.08Å; K209-K212 PolarHBondContact N-O 2.69Å; K209-K212 WeakPolarHBondContact O-CB 3.47Å; K209-K212 PolarHBondContact O-N 2.68Å; K209-F214 HydrophobicContact CB-CE2 3.91Å; K209-F214 HydrophobicContact CB-CZ 3.56Å
210	N	98.2	Very high	96.9	Very high	62 Å²	62	43.5 Å²	43.5	33%	0.332	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	46.5	178	-54.2	-23	0	0	0	112	D192 T193 K212 F251	D192-N210 WeakPolarHBondContact CA-OD1 3.49Å; D192-N210 PolarHBondContact OD1-ND2 3.18Å; T193-N210 PolarHBondContact N-OD1 3.42Å; T193-N210 PolarHBondContact O-N 3.2Å; T193-N210 PolarHBondContact O-OD1 3.13Å; N210-K212 VanDerWaalsContact C-N 3.26Å; N210-K212 PolarHBondContact O-N 3.26Å; N210-F251 HydrophobicContact CB-CE1 4.23Å; N210-F251 HydrophobicContact CB-CE2 4.26Å; N210-F251 HydrophobicContact CB-CZ 3.86Å; N210-F251 WeakPolarHBondContact O-CE1 3.44Å
211	G	96.4	Very high	96.6	Very high	44 Å²	44	45.2 Å²	45.2	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-12.3	-178.3	0	0	0	0	0	116.2	K209 L213 F251	K209-G211 PolarHBondContact O-N 3.08Å; G211-L213 PolarHBondContact O-N 2.95Å; G211-F251 VanDerWaalsContact N-CD1 3.34Å
212	K	97.3	Very high	96.4	Very high	118 Å²	118	44.8 Å²	44.8	51%	0.513	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	100.6	174.9	-174.7	-177.8	177.9	-177.9	0	110.4	E186 S208 K209 N210 F214	E186-K212 IonicContact OE1-NZ 3.97Å; E186-K212 PolarHBondContact OE1-NZ 3.47Å; S208-K212 CarbonylContact C-O 3.52Å; S208-K212 WeakPolarHBondContact CA-O 3.4Å; S208-K212 VanDerWaalsContact CB-O 3.25Å; S208-K212 WeakPolarHBondContact CB-O 3.12Å; K209-K212 PolarHBondContact N-O 2.69Å; K209-K212 WeakPolarHBondContact O-CB 3.47Å; K209-K212 PolarHBondContact O-N 2.68Å; N210-K212 VanDerWaalsContact C-N 3.26Å; N210-K212 PolarHBondContact O-N 3.26Å; K212-F214 HydrophobicContact CD-CE1 4.48Å
213	L	96.8	Very high	96.2	Very high	89 Å²	89	45.2 Å²	45.2	47%	0.466	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.7	176.5	-177.6	60	0	0	0	111.4	F197 G211	F197-L213 HydrophobicContact CD2-CD1 3.82Å; F197-L213 HydrophobicContact CE1-CD1 4.47Å; F197-L213 HydrophobicContact CE2-CD1 3.66Å; F197-L213 HydrophobicContact CG-CD1 4.31Å; F197-L213 HydrophobicContact CZ-CD1 4.02Å; G211-L213 PolarHBondContact O-N 2.95Å
214	F	96.9	Very high	96.1	Very high	25 Å²	25	45.2 Å²	45.2	11%	0.11	26%	0.262	C	S	.	.			trans	-86	175.6	170.9	-54.4	-49.5	0	0	0	111	F169 Y184 E186 W207 K209 K212	F169-F214 HydrophobicContact CE1-CD2 4.49Å; F169-F214 AromaticContact CE1-CE2 3.96Å; F169-F214 HydrophobicContact CE1-CE2 3.96Å; F169-F214 HydrophobicContact CZ-CD2 4.34Å; F169-F214 AromaticContact CZ-CE2 3.81Å; F169-F214 HydrophobicContact CZ-CE2 3.81Å; Y184-F214 HydrophobicContact CE1-CB 3.72Å; Y184-F214 HydrophobicContact CE1-CD2 4Å; Y184-F214 HydrophobicContact CE1-CG 4.24Å; Y184-F214 HydrophobicContact CE2-CB 4.46Å; Y184-F214 WeakPolarHBondContact OH-CB 3.41Å; E186-F214 HydrophobicContact CB-CE1 4.46Å; E186-F214 HydrophobicContact CB-CZ 4.09Å; E186-F214 HydrophobicContact CG-CE1 4.15Å; E186-F214 HydrophobicContact CG-CZ 4.29Å; W207-F214 HydrophobicContact CB-CD2 4.41Å; W207-F214 VanDerWaalsContact O-CB 3.29Å; W207-F214 WeakPolarHBondContact O-CB 3.22Å; W207-F214 VanDerWaalsContact O-CD2 3.24Å; W207-F214 WeakPolarHBondContact O-CD2 3.13Å; W207-F214 PolarHBondContact O-N 2.87Å; K209-F214 HydrophobicContact CB-CE2 3.91Å; K209-F214 HydrophobicContact CB-CZ 3.56Å; K212-F214 HydrophobicContact CD-CE1 4.48Å
215	G	93.7	Very high	95.8	Very high	50 Å²	50	47.5 Å²	47.5	52%	0.515	27%	0.268	S	S	.	.			trans	-64.4	-161.9	-178.9	0	0	0	0	0	114.3	Y184 S206	Y184-G215 PolarHBondContact OH-O 3.13Å; S206-G215 WeakPolarHBondContact CB-O 3.48Å; S206-G215 PolarHBondContact OG-O 2.92Å
216	K	97.2	Very high	95.5	Very high	118 Å²	118	51 Å²	51	51%	0.513	29%	0.292	S	S	.	.			trans	-78.2	127.8	167.8	-172.1	179.6	69.3	168	0	108.9	D219	K216-D219 IonicContact NZ-OD1 3.56Å; K216-D219 PolarHBondContact NZ-OD1 3.26Å; K216-D219 IonicContact NZ-OD2 3.64Å; K216-D219 PolarHBondContact NZ-OD2 2.7Å
217	A	96.8	Very high	95.1	Very high	14 Å²	14	54.2 Å²	54.2	12%	0.116	30%	0.303	C	S	.	.			trans	-87.9	-52.6	175.6	0	0	0	0	0	111.9	M175 Y184 I205 W207	M175-A217 HydrophobicContact SD-CB 3.79Å; Y184-A217 HydrophobicContact CD2-CB 4.21Å; Y184-A217 HydrophobicContact CE1-CB 4.13Å; Y184-A217 HydrophobicContact CE2-CB 3.67Å; I205-A217 WeakPolarHBondContact O-CB 3.32Å; I205-A217 PolarHBondContact O-N 3.18Å; W207-A217 HydrophobicContact CE3-CB 3.77Å; W207-A217 HydrophobicContact CZ3-CB 3.43Å; W207-A217 VanDerWaalsContact CZ3-CB 3.43Å
218	Y	96.5	Very high	94.8	Very high	30 Å²	30	54.2 Å²	54.2	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.3	-174	-63.3	-66.8	0	0	0	112.4	F167 M175 S176 H177 S204 I205 W207	F167-Y218 HydrophobicContact CB-CD2 4.13Å; F167-Y218 HydrophobicContact CB-CE2 4.4Å; F167-Y218 HydrophobicContact CD1-CD1 4.33Å; F167-Y218 AromaticContact CD1-CD2 3.69Å; F167-Y218 HydrophobicContact CD1-CD2 3.69Å; F167-Y218 HydrophobicContact CD1-CE2 4.24Å; F167-Y218 AromaticContact CD1-CG 3.74Å; F167-Y218 HydrophobicContact CD1-CG 3.74Å; F167-Y218 HydrophobicContact CE1-CG 4.25Å; F167-Y218 HydrophobicContact CG-CD2 4.34Å; M175-Y218 VanDerWaalsContact C-OH 3.24Å; M175-Y218 HydrophobicContact CB-CE2 3.91Å; M175-Y218 WeakPolarHBondContact CB-OH 3.5Å; M175-Y218 HydrophobicContact CG-CE2 4.25Å; M175-Y218 VanDerWaalsContact CG-OH 3.28Å; M175-Y218 WeakPolarHBondContact CG-OH 3.24Å; M175-Y218 HydrophobicContact SD-CE1 4.18Å; M175-Y218 HydrophobicContact SD-CE2 4.12Å; S176-Y218 VanDerWaalsContact C-OH 3.24Å; S176-Y218 WeakPolarHBondContact CA-OH 3.08Å; S176-Y218 PolarHBondContact N-OH 3.09Å; H177-Y218 HydrophobicContact CB-CE1 3.92Å; H177-Y218 HydrophobicContact CB-CE2 4.49Å; H177-Y218 PolarHBondContact N-OH 3.43Å; S204-Y218 VanDerWaalsContact CA-O 3.25Å; S204-Y218 WeakPolarHBondContact CA-O 3.47Å; I205-Y218 PolarHBondContact N-O 3.13Å; I205-Y218 PolarHBondContact O-N 2.79Å; W207-Y218 HydrophobicContact CH2-CD2 4.14Å; W207-Y218 HydrophobicContact CH2-CE2 4.17Å; W207-Y218 HydrophobicContact CZ3-CD2 4.05Å; W207-Y218 HydrophobicContact CZ3-CE2 4.1Å
219	D	96.5	Very high	94.8	Very high	99 Å²	99	54.1 Å²	54.1	53%	0.529	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.8	159.7	-69	-58.9	0	0	0	109	K216 P221	K216-D219 IonicContact NZ-OD1 3.56Å; K216-D219 PolarHBondContact NZ-OD1 3.26Å; K216-D219 IonicContact NZ-OD2 3.64Å; K216-D219 PolarHBondContact NZ-OD2 2.7Å; D219-P221 WeakPolarHBondContact O-CD 3.4Å
220	I	94.9	Very high	94.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82.8	120.4	-178.6	-51.7	169.3	0	0	0	108.5	L198 L200 G203 I205 A222 L224 R225 L229	L198-I220 HydrophobicContact CD1-CD1 3.37Å; L200-I220 HydrophobicContact CD2-CD1 4.03Å; G203-I220 PolarHBondContact O-N 3.35Å; I205-I220 HydrophobicContact CD1-CD1 4.24Å; I205-I220 HydrophobicContact CD1-CG1 3.97Å; I205-I220 HydrophobicContact CG1-CD1 3.81Å; I205-I220 HydrophobicContact CG1-CG1 3.78Å; I220-A222 PolarHBondContact O-N 3.38Å; I220-L224 HydrophobicContact CG2-CB 4.12Å; I220-R225 HydrophobicContact CB-CG 4.16Å; I220-R225 HydrophobicContact CG2-CG 3.67Å; I220-R225 PolarHBondContact O-NE 3.07Å; I220-R225 PolarHBondContact O-NH2 3.35Å; I220-L229 HydrophobicContact CD1-CD1 4.19Å; I220-L229 HydrophobicContact CG2-CD1 4.2Å
221	P	92.5	Very high	94.8	Very high	40 Å²	40	49.6 Å²	49.6	26%	0.26	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-54.6	135.2	173	-25.1	34	0	0	0	111.5	D219 H223 L224	D219-P221 WeakPolarHBondContact O-CD 3.4Å; P221-H223 VanDerWaalsContact CB-CE1 3.42Å; P221-H223 WeakPolarHBondContact CB-CE1 3.1Å; P221-H223 PolarHBondContact O-N 3.49Å; P221-H223 VanDerWaalsContact O-N 3.08Å; P221-L224 HydrophobicContact CB-CG 4.35Å; P221-L224 HydrophobicContact CG-CD1 4.2Å; P221-L224 PolarHBondContact O-N 2.65Å
222	A	90.6	Very high	94.9	Very high	77 Å²	77	47.6 Å²	47.6	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-52.6	-38.2	-174.5	0	0	0	0	0	113.4	I220 L224 R225	I220-A222 PolarHBondContact O-N 3.38Å; A222-L224 VanDerWaalsContact C-N 3.28Å; A222-L224 PolarHBondContact O-N 2.9Å; A222-R225 PolarHBondContact O-N 3.02Å
223	H	91	Very high	95	Very high	108 Å²	108	42 Å²	42	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-68.8	-19.6	179.6	74	-87.9	0	0	0	114.4	P221 K227	P221-H223 VanDerWaalsContact CB-CE1 3.42Å; P221-H223 WeakPolarHBondContact CB-CE1 3.1Å; P221-H223 PolarHBondContact O-N 3.49Å; P221-H223 VanDerWaalsContact O-N 3.08Å; H223-K227 WeakPolarHBondContact O-CG 3.23Å
224	L	93.2	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-84.7	-27.9	175.1	-63.6	-173.9	0	0	0	111.8	T153 E165 F167 I220 P221 A222 S226 K227	T153-L224 HydrophobicContact CG2-CD2 4.06Å; E165-L224 HydrophobicContact CG-CD2 4.17Å; F167-L224 HydrophobicContact CE2-CD1 3.88Å; F167-L224 HydrophobicContact CZ-CD1 3.93Å; I220-L224 HydrophobicContact CG2-CB 4.12Å; P221-L224 HydrophobicContact CB-CG 4.35Å; P221-L224 HydrophobicContact CG-CD1 4.2Å; P221-L224 PolarHBondContact O-N 2.65Å; A222-L224 VanDerWaalsContact C-N 3.28Å; A222-L224 PolarHBondContact O-N 2.9Å; L224-S226 PolarHBondContact O-N 3.2Å; L224-K227 HydrophobicContact CD2-CD 3.93Å; L224-K227 PolarHBondContact O-N 2.76Å; L224-K227 VanDerWaalsContact O-N 3.13Å
225	R	92.6	Very high	95	Very high	69 Å²	69	36.5 Å²	36.5	26%	0.26	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-29.3	-177.6	-57.2	-179	-162.1	-171.4	0.7	112.6	K130 C131 I220 A222	K130-R225 CarbonylContact C-O 3.59Å; K130-R225 WeakPolarHBondContact CA-O 3.24Å; K130-R225 WeakPolarHBondContact CB-O 3.24Å; C131-R225 PolarHBondContact N-O 2.62Å; I220-R225 HydrophobicContact CB-CG 4.16Å; I220-R225 HydrophobicContact CG2-CG 3.67Å; I220-R225 PolarHBondContact O-NE 3.07Å; I220-R225 PolarHBondContact O-NH2 3.35Å; A222-R225 PolarHBondContact O-N 3.02Å
226	S	91	Very high	94.8	Very high	73 Å²	73	36.8 Å²	36.8	51%	0.51	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-15.4	178.7	58.6	0	0	0	0	114.4	L224	L224-S226 PolarHBondContact O-N 3.2Å
227	K	89.9	Confident	94.4	Very high	86 Å²	86	34.3 Å²	34.3	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.9	-177.5	-77.4	-176.7	177.1	179.6	0	113.7	T153 E165 H223 L224	T153-K227 HydrophobicContact CG2-CB 4.2Å; T153-K227 HydrophobicContact CG2-CD 4.27Å; E165-K227 IonicContact OE1-NZ 3.82Å; E165-K227 PolarHBondContact OE1-NZ 3.4Å; E165-K227 IonicContact OE2-NZ 3.49Å; E165-K227 PolarHBondContact OE2-NZ 2.91Å; H223-K227 WeakPolarHBondContact O-CG 3.23Å; L224-K227 HydrophobicContact CD2-CD 3.93Å; L224-K227 PolarHBondContact O-N 2.76Å; L224-K227 VanDerWaalsContact O-N 3.13Å
228	G	92.7	Very high	94.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	96.4	123.9	-169.5	0	0	0	0	0	111.4	V129	V129-G228 CarbonylContact O-C 3.49Å; V129-G228 WeakPolarHBondContact O-CA 3.48Å
229	L	97.8	Very high	94.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-112.5	127.5	174.5	-70.2	172.3	0	0	0	109.3	G128 V129 W151 S152 T153 L198 L200 I220	G128-L229 CarbonylContact C-O 3.54Å; G128-L229 WeakPolarHBondContact CA-O 3.2Å; V129-L229 PolarHBondContact N-O 2.8Å; V129-L229 PolarHBondContact O-N 3.43Å; W151-L229 HydrophobicContact CE3-CB 4.42Å; S152-L229 WeakPolarHBondContact O-CA 3.41Å; T153-L229 HydrophobicContact CG2-CD2 4.05Å; L198-L229 HydrophobicContact CD1-CD1 3.73Å; L198-L229 HydrophobicContact CD2-CB 3.99Å; L198-L229 HydrophobicContact CD2-CD1 4.15Å; L200-L229 HydrophobicContact CD2-CD1 4.18Å; I220-L229 HydrophobicContact CD1-CD1 4.19Å; I220-L229 HydrophobicContact CG2-CD1 4.2Å
230	F	98.3	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	-174.2	-63.9	-101.5	0	0	0	109.1	R127 G128 W151 S152 L154 S232 V269 N271	R127-F230 WeakPolarHBondContact O-CD1 3.5Å; G128-F230 VanDerWaalsContact N-CD1 3.31Å; G128-F230 VanDerWaalsContact N-CE1 3.26Å; W151-F230 WeakPolarHBondContact CA-O 3.36Å; S152-F230 PolarHBondContact N-O 3.44Å; S152-F230 PolarHBondContact O-N 3.24Å; L154-F230 HydrophobicContact CD1-CE2 4.16Å; L154-F230 HydrophobicContact CD1-CZ 4.06Å; L154-F230 HydrophobicContact CD2-CD1 4.46Å; L154-F230 HydrophobicContact CD2-CD2 4.06Å; L154-F230 HydrophobicContact CD2-CE1 4.14Å; L154-F230 HydrophobicContact CD2-CE2 3.72Å; L154-F230 HydrophobicContact CD2-CG 4.44Å; L154-F230 HydrophobicContact CD2-CZ 3.75Å; L154-F230 HydrophobicContact CG-CD2 4.21Å; L154-F230 HydrophobicContact CG-CE2 3.57Å; L154-F230 HydrophobicContact CG-CZ 3.85Å; F230-S232 PolarHBondContact O-N 3.15Å; F230-S232 PolarHBondContact O-OG 3.43Å; F230-V269 WeakPolarHBondContact CE1-O 3.3Å; F230-V269 HydrophobicContact CE2-CG1 4.35Å; F230-V269 HydrophobicContact CZ-CB 4.02Å; F230-V269 HydrophobicContact CZ-CG1 3.78Å; F230-N271 HydrophobicContact CD1-CB 4.27Å; F230-N271 HydrophobicContact CE1-CB 3.76Å
231	P	98.5	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	131.4	163.3	-28	36.3	0	0	0	110.3	M92 R124 A125 Y137 G150 W151 F244 I260	M92-P231 HydrophobicContact CE-CG 3.65Å; R124-P231 CarbonylContact C-O 3.59Å; R124-P231 WeakPolarHBondContact CA-O 3.41Å; A125-P231 HydrophobicContact CB-CB 4.01Å; A125-P231 HydrophobicContact CB-CG 4.15Å; A125-P231 PolarHBondContact N-O 3.18Å; Y137-P231 HydrophobicContact CD1-CB 3.98Å; Y137-P231 HydrophobicContact CD1-CG 3.79Å; Y137-P231 HydrophobicContact CE1-CB 3.58Å; Y137-P231 HydrophobicContact CE1-CG 3.77Å; Y137-P231 HydrophobicContact CE2-CB 4.34Å; Y137-P231 HydrophobicContact CG-CB 4.49Å; Y137-P231 HydrophobicContact CG-CG 4.47Å; G150-P231 CarbonylContact O-C 3.58Å; G150-P231 WeakPolarHBondContact O-CA 3.21Å; W151-P231 HydrophobicContact CE3-CG 4.35Å; W151-P231 HydrophobicContact CH2-CG 4.3Å; W151-P231 HydrophobicContact CZ3-CG 3.78Å; P231-F244 HydrophobicContact CB-CD1 4.34Å; P231-F244 HydrophobicContact CB-CE1 3.61Å; P231-F244 HydrophobicContact CB-CZ 4.49Å; P231-F244 HydrophobicContact CG-CD1 4.19Å; P231-F244 HydrophobicContact CG-CE1 3.93Å; P231-I260 HydrophobicContact CG-CD1 3.73Å; P231-I260 HydrophobicContact CG-CG2 4.43Å
232	S	98.4	Very high	94.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.6	-169.6	-58.1	0	0	0	0	110	A123 V149 G150 S152 F230	A123-S232 WeakPolarHBondContact O-CA 3.37Å; V149-S232 CarbonylContact C-O 3.57Å; V149-S232 WeakPolarHBondContact CA-O 3.4Å; G150-S232 PolarHBondContact N-O 2.76Å; G150-S232 PolarHBondContact O-N 3.44Å; S152-S232 WeakPolarHBondContact CB-OG 3.4Å; S152-S232 PolarHBondContact N-OG 2.86Å; S152-S232 PolarHBondContact OG-OG 3.02Å; F230-S232 PolarHBondContact O-N 3.15Å; F230-S232 PolarHBondContact O-OG 3.43Å
233	V	98.4	Very high	95	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.9	-179.9	60.4	0	0	0	0	110.3	L94 M103 G122 A123 R148 V149 L235 L240 F242	L94-V233 HydrophobicContact CD1-CG1 4.45Å; L94-V233 HydrophobicContact CD2-CG1 4.23Å; M103-V233 HydrophobicContact CE-CG1 4.25Å; G122-V233 CarbonylContact C-O 3.59Å; G122-V233 WeakPolarHBondContact CA-O 3.23Å; A123-V233 HydrophobicContact CB-CG1 4.26Å; A123-V233 PolarHBondContact N-O 3.34Å; A123-V233 PolarHBondContact O-N 2.82Å; R148-V233 CarbonylContact O-C 3.51Å; R148-V233 VanDerWaalsContact O-CA 3.32Å; R148-V233 WeakPolarHBondContact O-CA 3.26Å; V149-V233 HydrophobicContact CG1-CG2 4.2Å; V233-L235 HydrophobicContact CG2-CD2 3.63Å; V233-L235 HydrophobicContact CG2-CG 4.03Å; V233-L240 HydrophobicContact CG2-CD2 4.01Å; V233-F242 HydrophobicContact CB-CE1 4.47Å; V233-F242 HydrophobicContact CB-CE2 4.34Å; V233-F242 HydrophobicContact CB-CZ 3.63Å; V233-F242 HydrophobicContact CG1-CE2 4.22Å; V233-F242 HydrophobicContact CG1-CZ 3.93Å; V233-F242 HydrophobicContact CG2-CE2 4.34Å; V233-F242 HydrophobicContact CG2-CZ 3.8Å
234	C	97.6	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.9	159.6	71.1	0	0	0	0	112.1	W120 H121 C147 R148 H158 V160	W120-C234 HydrophobicContact CE3-CB 4.25Å; H121-C234 CarbonylContact O-C 3.51Å; H121-C234 WeakPolarHBondContact O-CA 3.44Å; C147-C234 CarbonylContact C-O 3.45Å; C147-C234 VanDerWaalsContact CA-O 3.28Å; C147-C234 WeakPolarHBondContact CA-O 3.23Å; R148-C234 PolarHBondContact N-O 2.92Å; R148-C234 PolarHBondContact O-N 3.45Å; H158-C234 VanDerWaalsContact O-CB 3.23Å; H158-C234 WeakPolarHBondContact O-CB 3.35Å; V160-C234 HydrophobicContact CG2-CB 4.22Å
235	L	96.3	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.4	-170.3	-55.9	-177.2	0	0	0	109.7	M103 W120 H121 L146 C147 V233 A238 L240	M103-L235 HydrophobicContact CE-CB 4.32Å; M103-L235 HydrophobicContact CE-CD1 4Å; M103-L235 HydrophobicContact CE-CG 3.88Å; M103-L235 HydrophobicContact SD-CD1 3.86Å; M103-L235 HydrophobicContact SD-CG 4.39Å; W120-L235 WeakPolarHBondContact CA-O 3.44Å; H121-L235 PolarHBondContact N-O 3.1Å; H121-L235 PolarHBondContact O-N 2.69Å; L146-L235 CarbonylContact O-C 3.56Å; C147-L235 HydrophobicContact CB-CD2 3.45Å; C147-L235 VanDerWaalsContact CB-CD2 3.45Å; V233-L235 HydrophobicContact CG2-CD2 3.63Å; V233-L235 HydrophobicContact CG2-CG 4.03Å; L235-A238 HydrophobicContact CB-CB 4.24Å; L235-A238 HydrophobicContact CD2-CB 4.16Å; L235-L240 HydrophobicContact CD2-CD1 3.4Å; L235-L240 VanDerWaalsContact CD2-CD1 3.4Å; L235-L240 HydrophobicContact CD2-CD2 4.13Å; L235-L240 HydrophobicContact CD2-CG 4.24Å
236	K	91.3	Very high	95.4	Very high	55 Å²	55	26.1 Å²	26.1	24%	0.239	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	103.4	171	176.4	169.4	-179.7	165.4	0	107.6	P117 G118 G119 W120 L146 A238	P117-K236 WeakPolarHBondContact O-CE 3.36Å; G118-K236 VanDerWaalsContact O-CE 3.3Å; G118-K236 WeakPolarHBondContact O-CE 3.4Å; G118-K236 PolarHBondContact O-NZ 2.97Å; G119-K236 WeakPolarHBondContact O-CG 3.39Å; W120-K236 HydrophobicContact CD2-CB 3.87Å; W120-K236 HydrophobicContact CD2-CD 4.35Å; W120-K236 HydrophobicContact CE3-CB 3.8Å; W120-K236 HydrophobicContact CG-CB 4.49Å; W120-K236 HydrophobicContact CH2-CB 4.34Å; W120-K236 HydrophobicContact CZ2-CB 4.38Å; W120-K236 HydrophobicContact CZ2-CD 4.42Å; W120-K236 HydrophobicContact CZ3-CB 4.05Å; L146-K236 HydrophobicContact CB-CB 4.27Å; L146-K236 PolarHBondContact N-O 3.44Å; L146-K236 PolarHBondContact O-N 3Å; K236-A238 PolarHBondContact O-N 2.91Å
237	N	88.9	Confident	95.5	Very high	66 Å²	66	26.1 Å²	26.1	35%	0.353	13%	0.133	S	C	.	.	S	Bend	trans	46.9	55.8	-169.9	-170.5	59.6	0	0	0	112.7	S114 D116 P117 G145	S114-N237 CarbonylContact O-C 3.51Å; S114-N237 WeakPolarHBondContact O-CA 3.4Å; S114-N237 PolarHBondContact O-N 3.27Å; D116-N237 PolarHBondContact O-N 3.05Å; P117-N237 HydrophobicContact CB-CB 4.3Å; G145-N237 WeakPolarHBondContact CA-O 3.48Å
238	A	93.2	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.2	-174.3	0	0	0	0	0	111.8	Q113 S114 E144 C147 L235 K236	Q113-A238 CarbonylContact C-O 3.08Å; Q113-A238 VanDerWaalsContact CA-O 3.26Å; Q113-A238 WeakPolarHBondContact CA-O 3.4Å; S114-A238 PolarHBondContact N-O 3.1Å; S114-A238 PolarHBondContact O-N 2.97Å; E144-A238 WeakPolarHBondContact O-CA 3.48Å; C147-A238 HydrophobicContact CB-CB 4.44Å; L235-A238 HydrophobicContact CB-CB 4.24Å; L235-A238 HydrophobicContact CD2-CB 4.16Å; K236-A238 PolarHBondContact O-N 2.91Å
239	E	95.4	Very high	95.9	Very high	26 Å²	26	28.3 Å²	28.3	12%	0.121	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.7	176.3	-173.6	-173.9	106.1	0	0	111.6	L111 C112 Q113 R115 T142 D143 F427	L111-E239 HydrophobicContact CD1-CG 3.93Å; L111-E239 HydrophobicContact CG-CG 4.26Å; C112-E239 CarbonylContact O-C 3.58Å; C112-E239 WeakPolarHBondContact O-CA 3.46Å; C112-E239 WeakPolarHBondContact O-CG 3.49Å; Q113-E239 HydrophobicContact CB-CB 3.93Å; Q113-E239 HydrophobicContact CB-CG 3.86Å; Q113-E239 PolarHBondContact OE1-OE2 3.02Å; R115-E239 IonicContact NH2-OE2 3.76Å; R115-E239 PolarHBondContact NH2-OE2 2.91Å; T142-E239 WeakPolarHBondContact CB-OE1 3.35Å; T142-E239 PolarHBondContact N-O 2.89Å; T142-E239 WeakPolarHBondContact OG1-CB 3.3Å; T142-E239 VanDerWaalsContact OG1-CD 3.25Å; T142-E239 WeakPolarHBondContact OG1-CG 3.36Å; T142-E239 PolarHBondContact OG1-O 3.47Å; T142-E239 PolarHBondContact OG1-OE1 2.84Å; D143-E239 HydrophobicContact CB-CB 3.68Å; D143-E239 PolarHBondContact N-O 3.35Å; E239-F427 HydrophobicContact CG-CE1 3.97Å; E239-F427 WeakPolarHBondContact OE2-CE1 3.43Å
240	L	97.8	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.3	-178.4	-83.7	65.5	0	0	0	111.3	C112 A139 H140 V141 C147 V149 V233 L235 F242	C112-L240 PolarHBondContact N-O 3.14Å; C112-L240 PolarHBondContact O-N 3.34Å; A139-L240 HydrophobicContact CB-CD2 4.24Å; H140-L240 CarbonylContact O-C 3.49Å; H140-L240 VanDerWaalsContact O-CA 3.24Å; H140-L240 WeakPolarHBondContact O-CA 3.4Å; V141-L240 HydrophobicContact CB-CD1 4.49Å; V141-L240 HydrophobicContact CG1-CD1 4.22Å; V141-L240 HydrophobicContact CG2-CD1 4.2Å; V141-L240 HydrophobicContact CG2-CG 4.15Å; C147-L240 HydrophobicContact CB-CD1 3.69Å; C147-L240 HydrophobicContact CB-CD2 4.12Å; V149-L240 HydrophobicContact CG1-CD2 3.52Å; V233-L240 HydrophobicContact CG2-CD2 4.01Å; L235-L240 HydrophobicContact CD2-CD1 3.4Å; L235-L240 VanDerWaalsContact CD2-CD1 3.4Å; L235-L240 HydrophobicContact CD2-CD2 4.13Å; L235-L240 HydrophobicContact CD2-CG 4.24Å; L240-F242 HydrophobicContact CB-CE2 3.89Å; L240-F242 HydrophobicContact CB-CZ 4.39Å; L240-F242 HydrophobicContact CD2-CZ 4.32Å
241	R	97.8	Very high	95.9	Very high	115 Å²	115	36.7 Å²	36.7	43%	0.434	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.1	168.5	-177	177	-70.5	-87.9	-2	110.5	L110 L111 A139 H140 T142	L110-R241 CarbonylContact O-C 3.59Å; L110-R241 VanDerWaalsContact O-CA 3.29Å; L110-R241 WeakPolarHBondContact O-CA 3.4Å; L111-R241 HydrophobicContact CD1-CB 3.82Å; A139-R241 CarbonylContact C-O 3.14Å; A139-R241 WeakPolarHBondContact CA-O 3.12Å; H140-R241 PolarHBondContact N-O 3.15Å; H140-R241 PolarHBondContact O-N 3.45Å; T142-R241 HydrophobicContact CG2-CB 4.05Å
242	F	98.3	Very high	95.8	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.2	-179.7	-71.1	-96.9	0	0	0	111.2	L94 L110 Y137 E138 A139 V149 V233 L240 F244	L94-F242 HydrophobicContact CD1-CD2 3.75Å; L94-F242 HydrophobicContact CD1-CE2 3.87Å; L94-F242 HydrophobicContact CG-CD2 4.27Å; L110-F242 PolarHBondContact O-N 3.33Å; Y137-F242 HydrophobicContact CD2-CD1 4.07Å; Y137-F242 HydrophobicContact CD2-CE1 4.43Å; Y137-F242 AromaticContact CE2-CD1 3.96Å; Y137-F242 HydrophobicContact CE2-CD1 3.96Å; Y137-F242 AromaticContact CE2-CE1 3.86Å; Y137-F242 HydrophobicContact CE2-CE1 3.86Å; E138-F242 WeakPolarHBondContact O-CA 3.39Å; A139-F242 HydrophobicContact CB-CD1 4.08Å; A139-F242 HydrophobicContact CB-CE1 3.69Å; A139-F242 HydrophobicContact CB-CZ 4.05Å; V149-F242 HydrophobicContact CG1-CZ 4.37Å; V233-F242 HydrophobicContact CB-CE1 4.47Å; V233-F242 HydrophobicContact CB-CE2 4.34Å; V233-F242 HydrophobicContact CB-CZ 3.63Å; V233-F242 HydrophobicContact CG1-CE2 4.22Å; V233-F242 HydrophobicContact CG1-CZ 3.93Å; V233-F242 HydrophobicContact CG2-CE2 4.34Å; V233-F242 HydrophobicContact CG2-CZ 3.8Å; L240-F242 HydrophobicContact CB-CE2 3.89Å; L240-F242 HydrophobicContact CB-CZ 4.39Å; L240-F242 HydrophobicContact CD2-CZ 4.32Å; F242-F244 HydrophobicContact CB-CD2 4.26Å; F242-F244 HydrophobicContact CB-CE1 4.18Å; F242-F244 HydrophobicContact CB-CE2 3.59Å; F242-F244 HydrophobicContact CB-CZ 3.55Å; F242-F244 AromaticContact CD1-CE1 3.86Å; F242-F244 HydrophobicContact CD1-CE1 3.86Å; F242-F244 AromaticContact CD1-CZ 3.71Å; F242-F244 HydrophobicContact CD1-CZ 3.71Å; F242-F244 HydrophobicContact CG-CE1 4.32Å; F242-F244 HydrophobicContact CG-CE2 4.26Å; F242-F244 AromaticContact CG-CZ 3.75Å; F242-F244 HydrophobicContact CG-CZ 3.75Å
243	N	97.7	Very high	95.6	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116	161.6	-178.8	-4	0	0	0	107.9	Y137 E138 G245 S247 A248 F249	Y137-N243 WeakPolarHBondContact CB-O 3.3Å; E138-N243 HydrophobicContact CB-CB 4.37Å; E138-N243 PolarHBondContact N-O 3.08Å; E138-N243 PolarHBondContact O-N 2.88Å; N243-G245 PolarHBondContact OD1-N 3.03Å; N243-S247 VanDerWaalsContact CG-OG 3.26Å; N243-S247 PolarHBondContact ND2-O 3.1Å; N243-S247 PolarHBondContact ND2-OG 2.99Å; N243-S247 PolarHBondContact OD1-O 2.87Å; N243-S247 PolarHBondContact OD1-OG 3.03Å; N243-A248 PolarHBondContact ND2-O 2.79Å; N243-F249 HydrophobicContact CB-CD1 4.32Å; N243-F249 HydrophobicContact CB-CE1 4.36Å; N243-F249 WeakPolarHBondContact O-CE1 3.4Å
244	F	97.9	Very high	95.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	26%	0.26	C	S	.	.			trans	-93.8	-1.7	179.8	-63.4	-65.7	0	0	0	113.5	M92 L94 L110 A125 Y137 P231 F242 G259 I260 S261	M92-F244 HydrophobicContact CB-CB 3.93Å; M92-F244 HydrophobicContact CB-CD2 4.44Å; M92-F244 HydrophobicContact CB-CG 4.33Å; M92-F244 HydrophobicContact CE-CD1 4.06Å; M92-F244 HydrophobicContact CE-CG 4.42Å; M92-F244 HydrophobicContact CG-CB 3.77Å; M92-F244 HydrophobicContact CG-CD1 4.32Å; M92-F244 HydrophobicContact CG-CD2 4.08Å; M92-F244 HydrophobicContact CG-CG 3.79Å; M92-F244 VanDerWaalsContact O-CD2 3.28Å; M92-F244 WeakPolarHBondContact O-CD2 3.34Å; M92-F244 HydrophobicContact SD-CB 4.26Å; L94-F244 HydrophobicContact CD2-CZ 4.16Å; L94-F244 HydrophobicContact CG-CZ 4.34Å; L110-F244 HydrophobicContact CD2-CD2 3.83Å; L110-F244 HydrophobicContact CD2-CE2 3.95Å; A125-F244 HydrophobicContact CB-CE1 4.48Å; A125-F244 HydrophobicContact CB-CZ 4.4Å; Y137-F244 HydrophobicContact CD2-CD1 4.41Å; Y137-F244 HydrophobicContact CD2-CE1 4.24Å; Y137-F244 HydrophobicContact CG-CD1 4.17Å; Y137-F244 HydrophobicContact CG-CE1 4.36Å; P231-F244 HydrophobicContact CB-CD1 4.34Å; P231-F244 HydrophobicContact CB-CE1 3.61Å; P231-F244 HydrophobicContact CB-CZ 4.49Å; P231-F244 HydrophobicContact CG-CD1 4.19Å; P231-F244 HydrophobicContact CG-CE1 3.93Å; F242-F244 HydrophobicContact CB-CD2 4.26Å; F242-F244 HydrophobicContact CB-CE1 4.18Å; F242-F244 HydrophobicContact CB-CE2 3.59Å; F242-F244 HydrophobicContact CB-CZ 3.55Å; F242-F244 AromaticContact CD1-CE1 3.86Å; F242-F244 HydrophobicContact CD1-CE1 3.86Å; F242-F244 AromaticContact CD1-CZ 3.71Å; F242-F244 HydrophobicContact CD1-CZ 3.71Å; F242-F244 HydrophobicContact CG-CE1 4.32Å; F242-F244 HydrophobicContact CG-CE2 4.26Å; F242-F244 AromaticContact CG-CZ 3.75Å; F242-F244 HydrophobicContact CG-CZ 3.75Å; F244-G259 CarbonylContact O-C 3.46Å; F244-I260 HydrophobicContact CB-CG2 3.89Å; F244-I260 HydrophobicContact CD1-CG2 3.91Å; F244-I260 HydrophobicContact CG-CG2 4.37Å; F244-I260 WeakPolarHBondContact O-CG2 3.45Å; F244-I260 PolarHBondContact O-N 3.14Å; F244-I260 VanDerWaalsContact O-N 3.1Å; F244-S261 WeakPolarHBondContact O-CB 3.39Å; F244-S261 PolarHBondContact O-N 2.83Å; F244-S261 PolarHBondContact O-OG 3.29Å
245	G	95.4	Very high	95.1	Very high	20 Å²	20	53.6 Å²	53.6	21%	0.206	30%	0.303	C	S	.	.	S	Bend	trans	114.8	2.3	-178.6	0	0	0	0	0	115	N243 S247	N243-G245 PolarHBondContact OD1-N 3.03Å; G245-S247 VanDerWaalsContact C-N 3.26Å
246	D	91.2	Very high	94.9	Very high	79 Å²	79	56.5 Å²	56.5	42%	0.422	33%	0.333	S	S	.	.	S	Bend	trans	-78.4	-14.2	175.6	-62	-36.7	0	0	0	112.5	Q91 M92 S261	Q91-D246 HydrophobicContact CG-CB 4.49Å; Q91-D246 WeakPolarHBondContact CG-OD2 3.25Å; M92-D246 PolarHBondContact N-OD2 3.1Å; D246-S261 PolarHBondContact N-OG 3.41Å; D246-S261 WeakPolarHBondContact OD1-CB 3.42Å; D246-S261 PolarHBondContact OD1-OG 3.22Å
247	S	92.2	Very high	95.2	Very high	72 Å²	72	56.4 Å²	56.4	50%	0.503	33%	0.331	S	S	.	.	S	Bend	trans	-128.7	162.4	170.3	53.9	0	0	0	0	110.2	N243 G245 F249	N243-S247 VanDerWaalsContact CG-OG 3.26Å; N243-S247 PolarHBondContact ND2-O 3.1Å; N243-S247 PolarHBondContact ND2-OG 2.99Å; N243-S247 PolarHBondContact OD1-O 2.87Å; N243-S247 PolarHBondContact OD1-OG 3.03Å; G245-S247 VanDerWaalsContact C-N 3.26Å; S247-F249 PolarHBondContact O-N 2.85Å
248	A	94.6	Very high	95.5	Very high	92 Å²	92	56.5 Å²	56.5	76%	0.76	33%	0.331	S	S	*	.			trans	-55.3	135.6	175.3	0	0	0	0	0	111.2	N243	N243-A248 PolarHBondContact ND2-O 2.79Å
249	F	97.7	Very high	95.6	Very high	41 Å²	41	57 Å²	57	18%	0.18	34%	0.335	C	S	.	.			trans	-74.7	143.6	174.9	-67.9	-60.8	0	0	0	110.6	Y136 E138 N243 S247 F251 P252	Y136-F249 HydrophobicContact CD1-CD1 4.12Å; Y136-F249 AromaticContact CD1-CD2 3.97Å; Y136-F249 HydrophobicContact CD1-CD2 3.97Å; Y136-F249 AromaticContact CD1-CE1 3.93Å; Y136-F249 HydrophobicContact CD1-CE1 3.93Å; Y136-F249 AromaticContact CD1-CE2 3.78Å; Y136-F249 HydrophobicContact CD1-CE2 3.78Å; Y136-F249 HydrophobicContact CD1-CG 4.14Å; Y136-F249 AromaticContact CD1-CZ 3.75Å; Y136-F249 HydrophobicContact CD1-CZ 3.75Å; Y136-F249 HydrophobicContact CE1-CB 4.33Å; Y136-F249 AromaticContact CE1-CD1 3.79Å; Y136-F249 HydrophobicContact CE1-CD1 3.79Å; Y136-F249 HydrophobicContact CE1-CD2 4.06Å; Y136-F249 HydrophobicContact CE1-CE1 4.04Å; Y136-F249 HydrophobicContact CE1-CE2 4.3Å; Y136-F249 AromaticContact CE1-CG 3.8Å; Y136-F249 HydrophobicContact CE1-CG 3.8Å; Y136-F249 HydrophobicContact CE1-CZ 4.28Å; E138-F249 HydrophobicContact CB-CD1 4.26Å; E138-F249 HydrophobicContact CG-CD1 3.78Å; E138-F249 HydrophobicContact CG-CE1 4.4Å; E138-F249 WeakPolarHBondContact OE2-CA 3.49Å; N243-F249 HydrophobicContact CB-CD1 4.32Å; N243-F249 HydrophobicContact CB-CE1 4.36Å; N243-F249 WeakPolarHBondContact O-CE1 3.4Å; S247-F249 PolarHBondContact O-N 2.85Å; F249-F251 VanDerWaalsContact C-N 3.3Å; F249-P252 HydrophobicContact CB-CB 4.5Å
250	D	96.9	Very high	95.7	Very high	106 Å²	106	55.7 Å²	55.7	57%	0.567	33%	0.329	S	S	*	.	S	Bend	trans	-67.4	-38.1	173.8	-67.8	-26.8	0	0	0	110.2	E138	E138-D250 PolarHBondContact OE2-N 3.46Å
251	F	97.9	Very high	95.5	Very high	69 Å²	69	56.4 Å²	56.4	30%	0.303	34%	0.335	S	S	.	.	S	Bend	trans	-127.7	79.3	-179.3	-58.8	-77.8	0	0	0	109.9	Y136 E138 T193 N210 G211 F249	Y136-F251 PolarHBondContact OH-O 3.07Å; E138-F251 VanDerWaalsContact OE1-C 3.25Å; E138-F251 VanDerWaalsContact OE1-CA 3.29Å; E138-F251 WeakPolarHBondContact OE1-CA 3.4Å; E138-F251 WeakPolarHBondContact OE1-CB 3.34Å; E138-F251 PolarHBondContact OE1-N 3.46Å; T193-F251 HydrophobicContact CG2-CD2 3.88Å; T193-F251 HydrophobicContact CG2-CE2 4.27Å; N210-F251 HydrophobicContact CB-CE1 4.23Å; N210-F251 HydrophobicContact CB-CE2 4.26Å; N210-F251 HydrophobicContact CB-CZ 3.86Å; N210-F251 WeakPolarHBondContact O-CE1 3.44Å; G211-F251 VanDerWaalsContact N-CD1 3.34Å; F249-F251 VanDerWaalsContact C-N 3.3Å
252	P	96.4	Very high	95.3	Very high	96 Å²	96	54.8 Å²	54.8	62%	0.623	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59.2	141.9	-175	22.8	-32.7	0	0	0	112.1	F249	F249-P252 HydrophobicContact CB-CB 4.5Å
253	P	95.8	Very high	95	Very high	24 Å²	24	55 Å²	55	16%	0.156	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.6	165.5	-179.3	34	-37.1	0	0	0	111.1	Y136 F197 W257	Y136-P253 HydrophobicContact CD1-CB 4.07Å; Y136-P253 HydrophobicContact CD1-CG 3.65Å; Y136-P253 HydrophobicContact CD2-CB 3.97Å; Y136-P253 HydrophobicContact CD2-CG 4.4Å; Y136-P253 HydrophobicContact CE1-CB 4.43Å; Y136-P253 HydrophobicContact CE1-CG 4.23Å; Y136-P253 HydrophobicContact CE2-CB 4.35Å; Y136-P253 HydrophobicContact CG-CB 3.81Å; Y136-P253 HydrophobicContact CG-CG 3.73Å; F197-P253 HydrophobicContact CE1-CB 3.63Å; F197-P253 HydrophobicContact CZ-CB 4.17Å; P253-W257 HydrophobicContact CB-CB 3.66Å; P253-W257 HydrophobicContact CB-CG 4.03Å; P253-W257 HydrophobicContact CG-CB 3.66Å
254	P	92.5	Very high	94.7	Very high	70 Å²	70	57 Å²	57	46%	0.455	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-57.9	165.8	173.5	-23	34.1	0	0	0	113	G256 W257	P254-G256 PolarHBondContact O-N 2.86Å; P254-W257 PolarHBondContact O-N 2.81Å
255	N	91.8	Very high	94.3	Very high	167 Å²	167	65.2 Å²	65.2	89%	0.893	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	140	176.2	-70.7	-13.4	0	0	0	112.2
256	G	92.9	Very high	94.1	Very high	61 Å²	61	69.6 Å²	69.6	63%	0.629	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	-2	179.5	0	0	0	0	0	115	P254	P254-G256 PolarHBondContact O-N 2.86Å
257	W	96.6	Very high	94.3	Very high	52 Å²	52	66.7 Å²	66.7	20%	0.197	40%	0.403	C	S	.	.			trans	-98.4	140.4	169.7	-64.3	80.2	0	0	0	109.9	R134 Y135 F197 D199 P253 P254	R134-W257 HydrophobicContact CB-CD2 3.9Å; R134-W257 HydrophobicContact CB-CE3 3.69Å; R134-W257 HydrophobicContact CB-CG 4.39Å; R134-W257 HydrophobicContact CB-CZ3 4.02Å; Y135-W257 WeakPolarHBondContact O-CZ3 3.33Å; F197-W257 HydrophobicContact CB-CE3 4.42Å; F197-W257 HydrophobicContact CB-CH2 3.73Å; F197-W257 HydrophobicContact CB-CZ3 3.66Å; F197-W257 AromaticContact CD1-CD2 3.8Å; F197-W257 HydrophobicContact CD1-CD2 3.8Å; F197-W257 AromaticContact CD1-CE2 3.89Å; F197-W257 AromaticContact CD1-CE3 3.68Å; F197-W257 HydrophobicContact CD1-CE3 3.68Å; F197-W257 AromaticContact CD1-CH2 3.8Å; F197-W257 HydrophobicContact CD1-CH2 3.8Å; F197-W257 AromaticContact CD1-CZ2 3.9Å; F197-W257 HydrophobicContact CD1-CZ2 3.9Å; F197-W257 AromaticContact CD1-CZ3 3.7Å; F197-W257 HydrophobicContact CD1-CZ3 3.7Å; F197-W257 HydrophobicContact CE1-CD2 4.29Å; F197-W257 HydrophobicContact CG-CH2 4.25Å; F197-W257 HydrophobicContact CG-CZ3 4.18Å; D199-W257 HydrophobicContact CB-CH2 3.79Å; D199-W257 HydrophobicContact CB-CZ3 4.38Å; P253-W257 HydrophobicContact CB-CB 3.66Å; P253-W257 HydrophobicContact CB-CG 4.03Å; P253-W257 HydrophobicContact CG-CB 3.66Å; P254-W257 PolarHBondContact O-N 2.81Å
258	I	95.4	Very high	94.3	Very high	69 Å²	69	64.3 Å²	64.3	35%	0.354	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.1	175.7	57.8	171.4	0	0	0	110.9	R134 Y135 Y136 I260	R134-I258 WeakPolarHBondContact O-CG1 3.19Å; R134-I258 PolarHBondContact O-N 2.92Å; Y135-I258 CarbonylContact C-O 3.54Å; Y135-I258 WeakPolarHBondContact CA-O 3.48Å; Y135-I258 HydrophobicContact CD1-CD1 4.14Å; Y135-I258 HydrophobicContact CD1-CG1 3.91Å; Y135-I258 HydrophobicContact CE1-CD1 3.81Å; Y135-I258 HydrophobicContact CE1-CG1 4.09Å; Y136-I258 PolarHBondContact N-O 3.18Å; I258-I260 PolarHBondContact O-N 3.31Å
259	G	96.4	Very high	94.3	Very high	9 Å²	9	61 Å²	61	9%	0.093	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.9	168	0	0	0	0	0	109.8	Y136 F244 S261 S262	Y136-G259 WeakPolarHBondContact O-CA 3.39Å; F244-G259 CarbonylContact O-C 3.46Å; G259-S261 PolarHBondContact O-N 3.33Å; G259-S262 WeakPolarHBondContact O-CB 3.36Å; G259-S262 PolarHBondContact O-N 3.22Å
260	I	96.6	Very high	94	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-61.3	-27.7	-175.7	-172.4	162.6	0	0	0	113.2	M92 V129 Y136 W151 P231 F244 I258 S262 C263	M92-I260 HydrophobicContact CE-CB 4.15Å; M92-I260 HydrophobicContact CE-CD1 3.64Å; M92-I260 HydrophobicContact CE-CG1 3.6Å; M92-I260 HydrophobicContact CE-CG2 3.51Å; M92-I260 HydrophobicContact SD-CB 4.17Å; M92-I260 HydrophobicContact SD-CD1 4.5Å; M92-I260 HydrophobicContact SD-CG1 3.82Å; M92-I260 HydrophobicContact SD-CG2 3.63Å; V129-I260 HydrophobicContact CG1-CD1 3.87Å; V129-I260 HydrophobicContact CG1-CG1 3.75Å; V129-I260 HydrophobicContact CG2-CD1 3.93Å; Y136-I260 PolarHBondContact O-N 2.85Å; W151-I260 HydrophobicContact CH2-CD1 3.72Å; W151-I260 HydrophobicContact CZ3-CD1 3.46Å; W151-I260 VanDerWaalsContact CZ3-CD1 3.46Å; P231-I260 HydrophobicContact CG-CD1 3.73Å; P231-I260 HydrophobicContact CG-CG2 4.43Å; F244-I260 HydrophobicContact CB-CG2 3.89Å; F244-I260 HydrophobicContact CD1-CG2 3.91Å; F244-I260 HydrophobicContact CG-CG2 4.37Å; F244-I260 WeakPolarHBondContact O-CG2 3.45Å; F244-I260 PolarHBondContact O-N 3.14Å; F244-I260 VanDerWaalsContact O-N 3.1Å; I258-I260 PolarHBondContact O-N 3.31Å; I260-S262 PolarHBondContact O-N 3.14Å; I260-C263 VanDerWaalsContact O-CB 3.28Å; I260-C263 WeakPolarHBondContact O-CB 3.39Å; I260-C263 PolarHBondContact O-N 3.26Å; I260-C263 VanDerWaalsContact O-N 3.12Å; I260-C263 PolarHBondContact O-SG 3.36Å
261	S	93.9	Very high	93.8	Very high	16 Å²	16	58.7 Å²	58.7	11%	0.112	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-63.4	-25.9	174.2	72	0	0	0	0	113.1	F244 D246 G259 C263	F244-S261 WeakPolarHBondContact O-CB 3.39Å; F244-S261 PolarHBondContact O-N 2.83Å; F244-S261 PolarHBondContact O-OG 3.29Å; D246-S261 PolarHBondContact N-OG 3.41Å; D246-S261 WeakPolarHBondContact OD1-CB 3.42Å; D246-S261 PolarHBondContact OD1-OG 3.22Å; G259-S261 PolarHBondContact O-N 3.33Å; S261-C263 VanDerWaalsContact C-N 3.31Å; S261-C263 PolarHBondContact O-N 3.21Å
262	S	93.1	Very high	93.4	Very high	80 Å²	80	60.3 Å²	60.3	56%	0.559	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-90.4	15.7	177	-60.8	0	0	0	0	113.3	G259 I260	G259-S262 WeakPolarHBondContact O-CB 3.36Å; G259-S262 PolarHBondContact O-N 3.22Å; I260-S262 PolarHBondContact O-N 3.14Å
263	C	91.9	Very high	92.6	Very high	10 Å²	10	59.8 Å²	59.8	7%	0.068	35%	0.346	C	S	.	.			trans	-64.1	140.3	179.2	65.3	0	0	0	0	112.2	R127 V129 Y135 I260 S261	R127-C263 PolarHBondContact NH2-SG 3.06Å; V129-C263 HydrophobicContact CG1-CB 3.64Å; Y135-C263 HydrophobicContact CD1-CB 4.03Å; Y135-C263 HydrophobicContact CE1-CB 3.38Å; I260-C263 VanDerWaalsContact O-CB 3.28Å; I260-C263 WeakPolarHBondContact O-CB 3.39Å; I260-C263 PolarHBondContact O-N 3.26Å; I260-C263 VanDerWaalsContact O-N 3.12Å; I260-C263 PolarHBondContact O-SG 3.36Å; S261-C263 VanDerWaalsContact C-N 3.31Å; S261-C263 PolarHBondContact O-N 3.21Å
264	P	91.9	Very high	91.5	Very high	62 Å²	62	65 Å²	65	40%	0.403	37%	0.366	S	S	.	.			trans	-59.4	141.4	174.1	-23.5	33.3	0	0	0	111.7	T266 N267 S268	P264-T266 PolarHBondContact O-N 3.32Å; P264-T266 VanDerWaalsContact O-N 3.12Å; P264-N267 CarbonylContact O-C 3.51Å; P264-N267 PolarHBondContact O-N 2.9Å; P264-S268 PolarHBondContact O-N 3.42Å
265	E	88.2	Confident	89.8	Confident	174 Å²	174	63.2 Å²	63.2	81%	0.813	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-55.1	-34.7	-179.9	-71.1	-168.3	161.2	0	0	112.9	N267 S268	E265-N267 PolarHBondContact O-N 3.49Å; E265-S268 PolarHBondContact O-N 2.93Å
266	T	92.5	Very high	87.5	Confident	113 Å²	113	59.5 Å²	59.5	69%	0.693	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.6	-29.1	177.4	55.8	0	0	0	0	113.3	P264	P264-T266 PolarHBondContact O-N 3.32Å; P264-T266 VanDerWaalsContact O-N 3.12Å
267	N	94.6	Very high	84.9	Confident	18 Å²	18	61.8 Å²	61.8	10%	0.096	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-103.3	-7.8	-178.7	-66.1	9.1	0	0	0	111.9	V129 K130 S132 Y135 P264 E265	V129-N267 CarbonylContact C-O 3.59Å; V129-N267 VanDerWaalsContact CA-O 3.25Å; V129-N267 WeakPolarHBondContact CA-O 3.3Å; K130-N267 WeakPolarHBondContact CG-O 3.47Å; K130-N267 PolarHBondContact N-O 3.06Å; K130-N267 WeakPolarHBondContact O-CB 3.29Å; S132-N267 PolarHBondContact O-ND2 3.45Å; S132-N267 PolarHBondContact OG-ND2 3.33Å; Y135-N267 VanDerWaalsContact OH-CB 3.27Å; Y135-N267 WeakPolarHBondContact OH-CB 3.22Å; Y135-N267 PolarHBondContact OH-ND2 2.95Å; Y135-N267 VanDerWaalsContact OH-ND2 3.16Å; P264-N267 CarbonylContact O-C 3.51Å; P264-N267 PolarHBondContact O-N 2.9Å; E265-N267 PolarHBondContact O-N 3.49Å
268	S	93.2	Very high	81.9	Confident	21 Å²	21	64.3 Å²	64.3	15%	0.147	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.9	178.2	-175.8	0	0	0	0	111.3	R127 P264 E265	R127-S268 PolarHBondContact NE-OG 3.26Å; R127-S268 VanDerWaalsContact NE-OG 3.1Å; R127-S268 PolarHBondContact NH2-OG 3.32Å; P264-S268 PolarHBondContact O-N 3.42Å; E265-S268 PolarHBondContact O-N 2.93Å
269	V	93.4	Very high	78.9	Confident	23 Å²	23	64 Å²	64	14%	0.139	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.6	172.6	-170.5	0	0	0	0	108.5	R127 G128 K130 F230	R127-V269 CarbonylContact C-O 3.58Å; R127-V269 WeakPolarHBondContact CA-O 3.5Å; G128-V269 PolarHBondContact N-O 3.28Å; G128-V269 PolarHBondContact O-N 2.75Å; K130-V269 HydrophobicContact CB-CG2 3.83Å; K130-V269 HydrophobicContact CD-CG2 3.48Å; K130-V269 VanDerWaalsContact CD-CG2 3.48Å; K130-V269 HydrophobicContact CG-CG2 3.51Å; F230-V269 WeakPolarHBondContact CE1-O 3.3Å; F230-V269 HydrophobicContact CE2-CG1 4.35Å; F230-V269 HydrophobicContact CZ-CB 4.02Å; F230-V269 HydrophobicContact CZ-CG1 3.78Å
270	E	92.3	Very high	75.9	Confident	96 Å²	96	68.9 Å²	68.9	45%	0.449	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.2	174.2	-78.2	-67.9	145.2	0	0	110.9	R127 T272	R127-E270 WeakPolarHBondContact CD-OE1 3.42Å; R127-E270 WeakPolarHBondContact CG-OE1 3.38Å; R127-E270 IonicContact NE-OE1 3.72Å; E270-T272 PolarHBondContact O-N 3.1Å
271	N	92.5	Very high	73.2	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.016	44%	0.444	C	S	.	.			trans	-71	126.6	171.9	-170.6	-32.9	0	0	0	109.5	N95 D98 A125 N126 L154 F230 F273	N95-N271 VanDerWaalsContact ND2-CG 3.25Å; N95-N271 PolarHBondContact ND2-ND2 3.09Å; N95-N271 PolarHBondContact ND2-OD1 3.36Å; D98-N271 PolarHBondContact OD2-ND2 3.34Å; D98-N271 PolarHBondContact OD2-OD1 3.46Å; A125-N271 PolarHBondContact O-ND2 3.04Å; N126-N271 WeakPolarHBondContact O-CB 3.42Å; N126-N271 PolarHBondContact O-N 2.8Å; L154-N271 HydrophobicContact CD2-CB 4.31Å; L154-N271 WeakPolarHBondContact CD2-OD1 3.29Å; F230-N271 HydrophobicContact CD1-CB 4.27Å; F230-N271 HydrophobicContact CE1-CB 3.76Å; N271-F273 WeakPolarHBondContact OD1-CB 3.18Å; N271-F273 WeakPolarHBondContact OD1-CD2 3.42Å; N271-F273 PolarHBondContact OD1-N 3.29Å
272	T	89.1	Confident	70.9	Confident	103 Å²	103	77.7 Å²	77.7	63%	0.632	45%	0.452	S	S	*	.			trans	-83.5	-14.9	-175.7	57.9	0	0	0	0	113.4	L154 E270 K274	L154-T272 HydrophobicContact CD1-CG2 4.16Å; E270-T272 PolarHBondContact O-N 3.1Å; T272-K274 PolarHBondContact O-N 3.27Å
273	F	80.4	Confident	68.9	Low	85 Å²	85	82.3 Å²	82.3	37%	0.373	46%	0.462	S	S	.	.			trans	-69.3	100.9	171.2	-69.7	-90.1	0	0	0	108.9	N95 D98 L154 N271	N95-F273 PolarHBondContact ND2-O 3Å; D98-F273 HydrophobicContact CB-CB 3.71Å; D98-F273 HydrophobicContact CB-CD2 4.23Å; D98-F273 HydrophobicContact CB-CG 4.03Å; D98-F273 VanDerWaalsContact CG-CD2 3.45Å; D98-F273 VanDerWaalsContact OD2-CD2 3.28Å; D98-F273 WeakPolarHBondContact OD2-CD2 3.32Å; L154-F273 HydrophobicContact CB-CE2 4.35Å; L154-F273 HydrophobicContact CD2-CD2 4.2Å; L154-F273 HydrophobicContact CD2-CE2 4.36Å; N271-F273 WeakPolarHBondContact OD1-CB 3.18Å; N271-F273 WeakPolarHBondContact OD1-CD2 3.42Å; N271-F273 PolarHBondContact OD1-N 3.29Å
274	K	71.9	Confident	67.4	Low	132 Å²	132	84.3 Å²	84.3	57%	0.574	48%	0.476	S	S	*	.			trans	-121.7	165.7	175.4	-62.5	-179.7	-179.4	-176.4	0	107.5	T272 T276	T272-K274 PolarHBondContact O-N 3.27Å; K274-T276 PolarHBondContact O-N 2.83Å
275	A	56.7	Low	66.6	Low	33 Å²	33	86.7 Å²	86.7	27%	0.273	48%	0.48	S	S	.	.	S	Bend	trans	-47.5	116	161.9	0	0	0	0	0	107.5	Y97 S277	Y97-A275 HydrophobicContact CD1-CB 4.25Å; Y97-A275 HydrophobicContact CE1-CB 3.62Å; A275-S277 PolarHBondContact O-N 3.08Å
276	T	44.3	Very low	66.4	Low	90 Å²	90	81.3 Å²	81.3	55%	0.552	46%	0.461	S	S	*	.			trans	-52.5	107.1	-172.5	25.2	0	0	0	0	110	K274 S278 S279	K274-T276 PolarHBondContact O-N 2.83Å; T276-S278 PolarHBondContact O-N 2.67Å; T276-S279 WeakPolarHBondContact CB-OG 3.44Å; T276-S279 PolarHBondContact O-N 3Å; T276-S279 VanDerWaalsContact O-N 3.1Å; T276-S279 PolarHBondContact OG1-OG 2.69Å
277	S	38.1	Very low	66.3	Low	109 Å²	109	77.4 Å²	77.4	76%	0.762	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.3	171	40.6	0	0	0	0	112.3	A275	A275-S277 PolarHBondContact O-N 3.08Å
278	S	33.4	Very low	66.1	Low	105 Å²	105	76.6 Å²	76.6	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.6	173.5	58.1	0	0	0	0	114.3	T276	T276-S278 PolarHBondContact O-N 2.67Å
279	S	33.7	Very low	66.2	Low	63 Å²	63	75.6 Å²	75.6	44%	0.441	42%	0.424	S	S	.	.	S	Bend	trans	-71.1	123.1	159.9	-61.9	0	0	0	0	106.5	T276 V281	T276-S279 WeakPolarHBondContact CB-OG 3.44Å; T276-S279 PolarHBondContact O-N 3Å; T276-S279 VanDerWaalsContact O-N 3.1Å; T276-S279 PolarHBondContact OG1-OG 2.69Å; S279-V281 PolarHBondContact O-N 2.98Å
280	P	32.1	Very low	66.2	Low	110 Å²	110	74.9 Å²	74.9	71%	0.714	42%	0.42	S	S	*	.			trans	-53.6	124.4	-173.2	23.9	-32.7	0	0	0	107.7	Y282	P280-Y282 PolarHBondContact O-N 2.93Å
281	V	39.9	Very low	66.4	Low	127 Å²	127	70.3 Å²	70.3	77%	0.77	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-0.6	96	171	176.4	0	0	0	0	109.7	S279 K283	S279-V281 PolarHBondContact O-N 2.98Å; V281-K283 VanDerWaalsContact C-N 3.29Å; V281-K283 WeakPolarHBondContact O-CA 3.17Å; V281-K283 WeakPolarHBondContact O-CG 3.12Å; V281-K283 PolarHBondContact O-N 2.82Å
282	Y	46.3	Very low	66.7	Low	74 Å²	74	70.2 Å²	70.2	29%	0.29	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27.8	92	-170.2	178.3	-93.3	0	0	0	111.2	L73 P280 S284 N365 A398	L73-Y282 HydrophobicContact CD1-CD1 4Å; L73-Y282 HydrophobicContact CD1-CE1 3.58Å; L73-Y282 HydrophobicContact CD2-CD1 3.5Å; L73-Y282 HydrophobicContact CD2-CE1 3.94Å; L73-Y282 HydrophobicContact CD2-CG 4.37Å; L73-Y282 HydrophobicContact CG-CD1 4.42Å; L73-Y282 HydrophobicContact CG-CE1 4.43Å; P280-Y282 PolarHBondContact O-N 2.93Å; Y282-S284 PolarHBondContact O-N 2.87Å; Y282-N365 WeakPolarHBondContact OH-CB 3.45Å; Y282-N365 PolarHBondContact OH-ND2 3.26Å; Y282-A398 HydrophobicContact CD2-CB 3.57Å; Y282-A398 HydrophobicContact CE2-CB 3.78Å
283	K	50.2	Low	67.1	Low	177 Å²	177	65.4 Å²	65.4	77%	0.77	37%	0.368	S	S	*	.			trans	-92.4	90.6	179.4	-89.5	-171.2	-177.4	-179.9	0	103.6	V281 K285	V281-K283 VanDerWaalsContact C-N 3.29Å; V281-K283 WeakPolarHBondContact O-CA 3.17Å; V281-K283 WeakPolarHBondContact O-CG 3.12Å; V281-K283 PolarHBondContact O-N 2.82Å; K283-K285 PolarHBondContact O-N 2.89Å
284	S	61.1	Low	67.9	Low	52 Å²	52	61.4 Å²	61.4	36%	0.364	35%	0.351	S	S	.	.			trans	-46.2	110.9	170.8	-173.8	0	0	0	0	108	Y282 N365	Y282-S284 PolarHBondContact O-N 2.87Å; S284-N365 PolarHBondContact OG-ND2 2.97Å
285	K	75.3	Confident	69	Low	112 Å²	112	55.1 Å²	55.1	49%	0.487	32%	0.323	S	S	.	.			trans	-68.3	135.1	173.8	-70.6	-176.1	178.6	-180	0	106.6	K283 N287 A288 L362	K283-K285 PolarHBondContact O-N 2.89Å; K285-N287 PolarHBondContact O-N 3.19Å; K285-N287 VanDerWaalsContact O-N 3.15Å; K285-A288 HydrophobicContact CB-CB 4.04Å; K285-A288 PolarHBondContact O-N 3.44Å; K285-L362 HydrophobicContact CD-CD1 3.38Å
286	P	84	Confident	70.6	Confident	61 Å²	61	54.3 Å²	54.3	40%	0.396	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.5	-173.8	21.6	-31.9	0	0	0	112	A288 L338 H339 G341 V342	P286-A288 VanDerWaalsContact C-N 3.31Å; P286-A288 PolarHBondContact O-N 3.44Å; P286-L338 CarbonylContact C-O 3.55Å; P286-H339 WeakPolarHBondContact CB-O 3.39Å; P286-G341 CarbonylContact O-C 3.51Å; P286-G341 VanDerWaalsContact O-CA 3.22Å; P286-G341 WeakPolarHBondContact O-CA 3.42Å; P286-V342 PolarHBondContact O-N 3.23Å
287	N	89.1	Confident	72.6	Confident	31 Å²	31	50.4 Å²	50.4	17%	0.166	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	24.6	-179	69.1	-29.8	0	0	0	114.4	K285 L338 Q359 S360 L362	K285-N287 PolarHBondContact O-N 3.19Å; K285-N287 VanDerWaalsContact O-N 3.15Å; N287-L338 HydrophobicContact CB-CB 4.46Å; N287-Q359 PolarHBondContact ND2-O 3.37Å; N287-S360 WeakPolarHBondContact CB-O 3.41Å; N287-S360 PolarHBondContact ND2-O 3.18Å; N287-L362 PolarHBondContact O-N 2.95Å
288	A	91.9	Very high	74.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	27%	0.267	C	S	.	.			trans	-124.4	91	-179.7	0	0	0	0	0	111	K285 P286 L362 N365	K285-A288 HydrophobicContact CB-CB 4.04Å; K285-A288 PolarHBondContact O-N 3.44Å; P286-A288 VanDerWaalsContact C-N 3.31Å; P286-A288 PolarHBondContact O-N 3.44Å; A288-L362 WeakPolarHBondContact CA-O 3.23Å; A288-L362 HydrophobicContact CB-CB 4.03Å; A288-N365 HydrophobicContact CB-CB 4.02Å; A288-N365 WeakPolarHBondContact CB-ND2 3.5Å; A288-N365 WeakPolarHBondContact O-CB 3.39Å; A288-N365 PolarHBondContact O-ND2 3.17Å
289	P	94.8	Very high	77.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.			trans	-70.2	156.6	-175.9	30.8	-37.1	0	0	0	112.4	V342 D343 V345 L361 L362 N365 C366	P289-V342 HydrophobicContact CB-CG1 4.28Å; P289-D343 WeakPolarHBondContact CB-O 3.42Å; P289-V345 HydrophobicContact CB-CB 4.44Å; P289-V345 HydrophobicContact CB-CG2 3.91Å; P289-V345 HydrophobicContact CG-CB 4.25Å; P289-V345 HydrophobicContact CG-CG2 3.77Å; P289-L361 HydrophobicContact CG-CD1 4.17Å; P289-L362 WeakPolarHBondContact CD-O 3.46Å; P289-N365 CarbonylContact O-C 3.57Å; P289-C366 VanDerWaalsContact O-CA 3.29Å; P289-C366 WeakPolarHBondContact O-CA 3.16Å; P289-C366 PolarHBondContact O-N 2.67Å
290	L	93.8	Very high	79.8	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.047	22%	0.22	C	C	.	.	S	Bend	trans	-81.9	-27.3	170.1	-70.5	171	0	0	0	111.9	V66 T69 L70 D343 R367 F368	V66-L290 HydrophobicContact CG1-CD1 4.11Å; V66-L290 HydrophobicContact CG2-CB 3.96Å; T69-L290 HydrophobicContact CG2-CD1 3.86Å; T69-L290 HydrophobicContact CG2-CD2 4.21Å; L70-L290 HydrophobicContact CD2-CD1 4.25Å; L70-L290 HydrophobicContact CG-CD1 4.32Å; L290-D343 PolarHBondContact N-O 2.95Å; L290-R367 WeakPolarHBondContact O-CA 2.98Å; L290-R367 WeakPolarHBondContact O-CB 3.31Å; L290-R367 PolarHBondContact O-N 3.09Å; L290-F368 PolarHBondContact O-N 3.12Å
291	A	96.5	Very high	82.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.8	177.6	0	0	0	0	0	111.8	V62 V66 D343 I344 V345 F368	V62-A291 HydrophobicContact CG1-CB 3.63Å; V66-A291 HydrophobicContact CG2-CB 4.18Å; A291-D343 PolarHBondContact N-O 3.35Å; A291-D343 VanDerWaalsContact N-O 3.11Å; A291-I344 HydrophobicContact CB-CG1 4.22Å; A291-I344 HydrophobicContact CB-CG2 4.14Å; A291-I344 WeakPolarHBondContact O-CA 3.27Å; A291-V345 PolarHBondContact O-N 3.45Å; A291-F368 WeakPolarHBondContact CA-O 3.31Å; A291-F368 HydrophobicContact CB-CB 3.86Å; A291-F368 HydrophobicContact CB-CD2 4.28Å; A291-F368 HydrophobicContact CB-CG 4.5Å
292	L	97.8	Very high	85.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.3	175.4	176	61.7	0	0	0	109.5	I294 V345 L352 L363 F368 F369 V370 I389	L292-I294 HydrophobicContact CG-CG1 4.46Å; L292-V345 HydrophobicContact CD1-CB 3.99Å; L292-V345 HydrophobicContact CD1-CG1 3.64Å; L292-L352 HydrophobicContact CD1-CD1 3.7Å; L292-L352 HydrophobicContact CD1-CD2 3.94Å; L292-L352 HydrophobicContact CD1-CG 4.48Å; L292-L352 HydrophobicContact CD2-CD1 4.45Å; L292-L352 HydrophobicContact CD2-CD2 4.15Å; L292-L352 HydrophobicContact CG-CD2 4.4Å; L292-L363 HydrophobicContact CD2-CD2 3.86Å; L292-F368 PolarHBondContact N-O 2.86Å; L292-F369 HydrophobicContact CB-CD2 4.25Å; L292-F369 HydrophobicContact CD2-CD2 3.95Å; L292-F369 HydrophobicContact CD2-CE2 3.78Å; L292-F369 HydrophobicContact CG-CD2 4.09Å; L292-F369 HydrophobicContact CG-CE2 4.15Å; L292-V370 PolarHBondContact O-N 2.92Å; L292-I389 HydrophobicContact CD2-CG2 4.08Å
293	I	98.4	Very high	87.2	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.6	178.8	-56.9	158.8	0	0	0	108.5	F58 E295 T304 I308 I344 V345 V346 A347 V370	F58-I293 HydrophobicContact CE2-CD1 4.05Å; F58-I293 HydrophobicContact CE2-CG1 4.32Å; F58-I293 HydrophobicContact CE2-CG2 4.11Å; F58-I293 HydrophobicContact CZ-CG2 4.35Å; I293-E295 HydrophobicContact CG2-CG 4.4Å; I293-T304 HydrophobicContact CD1-CG2 4.42Å; I293-T304 HydrophobicContact CG2-CG2 4.16Å; I293-I308 HydrophobicContact CD1-CD1 3.7Å; I293-I344 HydrophobicContact CD1-CG2 4.02Å; I293-V345 PolarHBondContact N-O 3.12Å; I293-V346 HydrophobicContact CB-CG2 4.36Å; I293-V346 HydrophobicContact CD1-CG2 4.06Å; I293-V346 HydrophobicContact CG2-CG1 4.47Å; I293-V346 WeakPolarHBondContact O-CA 3.38Å; I293-A347 PolarHBondContact O-N 2.84Å; I293-V370 WeakPolarHBondContact CA-O 3.2Å; I293-V370 HydrophobicContact CB-CB 4.25Å; I293-V370 HydrophobicContact CG1-CB 3.86Å; I293-V370 HydrophobicContact CG1-CG1 4.48Å; I293-V370 HydrophobicContact CG1-CG2 3.98Å; I293-V370 HydrophobicContact CG2-CB 4.21Å; I293-V370 HydrophobicContact CG2-CG1 4.25Å
294	I	97.6	Very high	89.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.3	177.5	-55.7	-172.1	0	0	0	109.8	L292 A347 P349 L352 F369 V370 L371 D372 L377 I389	L292-I294 HydrophobicContact CG-CG1 4.46Å; I294-A347 WeakPolarHBondContact CA-O 3.33Å; I294-P349 HydrophobicContact CG2-CG 3.83Å; I294-L352 HydrophobicContact CD1-CD2 3.47Å; I294-L352 VanDerWaalsContact CD1-CD2 3.47Å; I294-L352 HydrophobicContact CG1-CD2 3.63Å; I294-F369 HydrophobicContact CD1-CE2 3.45Å; I294-F369 VanDerWaalsContact CD1-CE2 3.45Å; I294-F369 HydrophobicContact CD1-CZ 3.72Å; I294-F369 HydrophobicContact CG1-CE2 3.88Å; I294-V370 PolarHBondContact N-O 3.07Å; I294-L371 HydrophobicContact CB-CD2 4.06Å; I294-L371 HydrophobicContact CD1-CD2 4.04Å; I294-L371 HydrophobicContact CG1-CD2 4.26Å; I294-D372 PolarHBondContact O-N 3.03Å; I294-D372 VanDerWaalsContact O-N 3.12Å; I294-L377 HydrophobicContact CB-CD1 4.31Å; I294-L377 HydrophobicContact CG2-CD1 3.9Å; I294-L377 HydrophobicContact CG2-CD2 3.73Å; I294-I389 HydrophobicContact CD1-CD1 4.33Å
295	E	94.5	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.			trans	-125.9	138.2	179.8	-68.1	-79.3	-168.4	0	0	109.8	I293 S297 L300 A301 T304 V346 A347 P349 D372	I293-E295 HydrophobicContact CG2-CG 4.4Å; E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 3.3Å; E295-L300 HydrophobicContact CB-CB 4.07Å; E295-L300 HydrophobicContact CG-CB 4.44Å; E295-L300 WeakPolarHBondContact OE2-CB 3.42Å; E295-A301 HydrophobicContact CB-CB 3.92Å; E295-A301 HydrophobicContact CG-CB 4.32Å; E295-T304 WeakPolarHBondContact OE1-CB 3.26Å; E295-T304 PolarHBondContact OE1-OG1 3.02Å; E295-V346 HydrophobicContact CG-CG1 4.18Å; E295-A347 PolarHBondContact N-O 3.2Å; E295-P349 WeakPolarHBondContact O-CD 3.36Å; E295-D372 WeakPolarHBondContact OE1-CB 3.14Å
296	P	89.5	Confident	91.9	Very high	17 Å²	17	22.4 Å²	22.4	11%	0.11	11%	0.11	C	C	.	.	S	Bend	trans	-70.8	-26.1	-173.7	26.3	-33.6	0	0	0	113.6	L300 E373 L377	P296-L300 HydrophobicContact CG-CD1 3.69Å; P296-E373 HydrophobicContact CG-CB 3.73Å; P296-L377 HydrophobicContact CB-CD2 3.83Å; P296-L377 HydrophobicContact CB-CG 4.11Å
297	S	86	Confident	92.3	Very high	7 Å²	7	21.2 Å²	21.2	5%	0.049	10%	0.099	C	C	.	.	S	Bend	trans	-123.7	160.1	-179	79.1	0	0	0	0	112	E295 E299 L300 A301 T348	E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 3.3Å; S297-E299 VanDerWaalsContact C-N 3.3Å; S297-L300 WeakPolarHBondContact OG-CB 3.15Å; S297-L300 WeakPolarHBondContact OG-CG 3.27Å; S297-L300 PolarHBondContact OG-N 2.67Å; S297-A301 PolarHBondContact O-N 3.35Å; S297-A301 VanDerWaalsContact O-N 3.1Å; S297-T348 WeakPolarHBondContact O-CG2 3.41Å
298	R	85.5	Confident	92.7	Very high	67 Å²	67	19.9 Å²	19.9	25%	0.253	9%	0.092	S	C	.	.	H	α-helix	trans	-68.3	-37.2	178	-63.9	-174.6	-175.2	170.2	0	111	L300 A301 E302 I326 G327 T348	R298-L300 VanDerWaalsContact C-N 3.33Å; R298-A301 PolarHBondContact O-N 2.92Å; R298-E302 WeakPolarHBondContact O-CB 3.46Å; R298-E302 WeakPolarHBondContact O-CG 3.11Å; R298-E302 PolarHBondContact O-N 2.8Å; R298-I326 HydrophobicContact CB-CD1 4.36Å; R298-I326 HydrophobicContact CG-CB 4.14Å; R298-I326 HydrophobicContact CG-CG2 4.41Å; R298-G327 PolarHBondContact NE-O 3.17Å; R298-G327 PolarHBondContact NH1-O 3.38Å; R298-G327 PolarHBondContact NH2-O 2.93Å; R298-T348 HydrophobicContact CB-CG2 4.48Å; R298-T348 HydrophobicContact CG-CG2 3.98Å
299	E	84.1	Confident	92.9	Very high	31 Å²	31	23.2 Å²	23.2	15%	0.145	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-40.2	-178.3	-64.1	67.5	-149.5	0	0	110.7	S297 Q303 R558	S297-E299 VanDerWaalsContact C-N 3.3Å; E299-Q303 WeakPolarHBondContact O-CB 3.46Å; E299-Q303 PolarHBondContact O-N 3.26Å; E299-R558 IonicContact OE1-CZ 3.99Å; E299-R558 IonicContact OE1-NE 2.7Å; E299-R558 IonicContact OE1-NH1 2.92Å; E299-R558 PolarHBondContact OE1-NH1 3.42Å; E299-R558 IonicContact OE1-NH2 3.46Å; E299-R558 PolarHBondContact OE1-NH2 2.88Å; E299-R558 IonicContact OE2-NH1 3.19Å
300	L	87.6	Confident	92.9	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-66.8	-46.9	172.1	-82.8	168.1	0	0	0	112.2	E295 P296 S297 R298 E302 Q303 T304 E373 R581	E295-L300 HydrophobicContact CB-CB 4.07Å; E295-L300 HydrophobicContact CG-CB 4.44Å; E295-L300 WeakPolarHBondContact OE2-CB 3.42Å; P296-L300 HydrophobicContact CG-CD1 3.69Å; S297-L300 WeakPolarHBondContact OG-CB 3.15Å; S297-L300 WeakPolarHBondContact OG-CG 3.27Å; S297-L300 PolarHBondContact OG-N 2.67Å; R298-L300 VanDerWaalsContact C-N 3.33Å; L300-E302 VanDerWaalsContact C-N 3.32Å; L300-E302 PolarHBondContact O-N 2.98Å; L300-Q303 WeakPolarHBondContact O-CB 3.46Å; L300-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 VanDerWaalsContact O-N 3.1Å; L300-T304 PolarHBondContact O-N 3.13Å; L300-T304 PolarHBondContact O-OG1 3.29Å; L300-E373 HydrophobicContact CD1-CB 4.39Å; L300-E373 HydrophobicContact CD1-CG 3.92Å; L300-R581 HydrophobicContact CD1-CB 4.38Å
301	A	92.6	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.4	-44.4	176	0	0	0	0	0	112.5	E295 S297 R298 Y305 L324 I326 V346 T348	E295-A301 HydrophobicContact CB-CB 3.92Å; E295-A301 HydrophobicContact CG-CB 4.32Å; S297-A301 PolarHBondContact O-N 3.35Å; S297-A301 VanDerWaalsContact O-N 3.1Å; R298-A301 PolarHBondContact O-N 2.92Å; A301-Y305 WeakPolarHBondContact O-CB 3.47Å; A301-Y305 PolarHBondContact O-N 2.83Å; A301-L324 HydrophobicContact CB-CD1 3.79Å; A301-I326 HydrophobicContact CB-CG2 3.77Å; A301-V346 HydrophobicContact CB-CG1 4.06Å; A301-V346 WeakPolarHBondContact O-CG1 3.31Å; A301-T348 HydrophobicContact CB-CG2 4.16Å
302	E	91.5	Very high	93	Very high	60 Å²	60	29.3 Å²	29.3	28%	0.28	13%	0.132	S	C	.	.	H	α-helix	trans	-61.9	-44.4	174.3	-78.3	179.8	-168.8	0	0	111.5	R298 L300 Y305 E306 L324 I326	R298-E302 WeakPolarHBondContact O-CB 3.46Å; R298-E302 WeakPolarHBondContact O-CG 3.11Å; R298-E302 PolarHBondContact O-N 2.8Å; L300-E302 VanDerWaalsContact C-N 3.32Å; L300-E302 PolarHBondContact O-N 2.98Å; E302-Y305 PolarHBondContact O-N 2.69Å; E302-E306 WeakPolarHBondContact O-CB 3.49Å; E302-E306 WeakPolarHBondContact O-CG 3.4Å; E302-E306 PolarHBondContact O-N 2.9Å; E302-L324 HydrophobicContact CG-CD2 3.68Å; E302-I326 HydrophobicContact CG-CD1 4.06Å; E302-I326 WeakPolarHBondContact OE1-CD1 3.34Å
303	Q	89.1	Confident	92.8	Very high	62 Å²	62	36.6 Å²	36.6	29%	0.29	16%	0.16	S	C	.	.	H	α-helix	trans	-60.3	-51	178.1	176.6	172.2	-24.1	0	0	111.6	E299 L300 Y305 E306 Q307	E299-Q303 WeakPolarHBondContact O-CB 3.46Å; E299-Q303 PolarHBondContact O-N 3.26Å; L300-Q303 WeakPolarHBondContact O-CB 3.46Å; L300-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 VanDerWaalsContact O-N 3.1Å; Q303-Y305 VanDerWaalsContact C-N 3.35Å; Q303-Y305 PolarHBondContact O-N 2.84Å; Q303-E306 PolarHBondContact O-N 2.89Å; Q303-Q307 WeakPolarHBondContact O-CG 3.4Å; Q303-Q307 PolarHBondContact O-N 3.42Å
304	T	94.6	Very high	92.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-41.9	179.5	-64.9	0	0	0	0	111.4	T55 F58 I293 E295 L300 E306 Q307 I308 V346	T55-T304 HydrophobicContact CG2-CG2 4.2Å; F58-T304 HydrophobicContact CE2-CG2 4.25Å; F58-T304 HydrophobicContact CZ-CG2 4.03Å; I293-T304 HydrophobicContact CD1-CG2 4.42Å; I293-T304 HydrophobicContact CG2-CG2 4.16Å; E295-T304 WeakPolarHBondContact OE1-CB 3.26Å; E295-T304 PolarHBondContact OE1-OG1 3.02Å; L300-T304 PolarHBondContact O-N 3.13Å; L300-T304 PolarHBondContact O-OG1 3.29Å; T304-E306 PolarHBondContact O-N 3.41Å; T304-Q307 PolarHBondContact O-N 2.82Å; T304-I308 HydrophobicContact CG2-CD1 4.24Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.16Å; T304-V346 HydrophobicContact CG2-CG1 4.23Å; T304-V346 HydrophobicContact CG2-CG2 4.3Å
305	Y	96.4	Very high	92.5	Very high	27 Å²	27	38.9 Å²	38.9	11%	0.106	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-44.6	174.8	172.7	-102.2	0	0	0	113.1	A301 E302 Q303 Q307 I308 K309 E322 L324	A301-Y305 WeakPolarHBondContact O-CB 3.47Å; A301-Y305 PolarHBondContact O-N 2.83Å; E302-Y305 PolarHBondContact O-N 2.69Å; Q303-Y305 VanDerWaalsContact C-N 3.35Å; Q303-Y305 PolarHBondContact O-N 2.84Å; Y305-Q307 VanDerWaalsContact C-N 3.33Å; Y305-Q307 PolarHBondContact O-N 3.17Å; Y305-I308 PolarHBondContact O-N 2.89Å; Y305-K309 HydrophobicContact CE1-CD 4.15Å; Y305-K309 VanDerWaalsContact CZ-NZ 3.33Å; Y305-K309 PolarHBondContact O-N 2.88Å; Y305-K309 VanDerWaalsContact O-N 3.16Å; Y305-K309 WeakPolarHBondContact OH-CE 3.16Å; Y305-K309 PolarHBondContact OH-NZ 3.16Å; Y305-E322 HydrophobicContact CD2-CB 4.27Å; Y305-E322 HydrophobicContact CD2-CG 3.78Å; Y305-E322 HydrophobicContact CE2-CB 4.12Å; Y305-E322 HydrophobicContact CE2-CG 3.4Å; Y305-E322 VanDerWaalsContact CE2-CG 3.4Å; Y305-L324 HydrophobicContact CD1-CB 4.16Å; Y305-L324 HydrophobicContact CD1-CD2 4.02Å; Y305-L324 HydrophobicContact CD2-CB 3.7Å; Y305-L324 HydrophobicContact CE1-CB 4.24Å; Y305-L324 HydrophobicContact CE1-CD2 4.42Å; Y305-L324 HydrophobicContact CE2-CB 3.79Å; Y305-L324 HydrophobicContact CG-CB 3.88Å; Y305-L324 HydrophobicContact CG-CD1 4.32Å; Y305-L324 HydrophobicContact CG-CD2 4.26Å; Y305-L324 HydrophobicContact CG-CG 4.38Å
306	E	94.4	Very high	92.4	Very high	86 Å²	86	45.3 Å²	45.3	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-69.5	-29.7	176.4	-69.8	-59.5	139.4	0	0	112.5	E302 Q303 T304 K309 K310	E302-E306 WeakPolarHBondContact O-CB 3.49Å; E302-E306 WeakPolarHBondContact O-CG 3.4Å; E302-E306 PolarHBondContact O-N 2.9Å; Q303-E306 PolarHBondContact O-N 2.89Å; T304-E306 PolarHBondContact O-N 3.41Å; E306-K309 IonicContact OE1-NZ 2.73Å; E306-K309 PolarHBondContact OE1-NZ 2.86Å; E306-K310 WeakPolarHBondContact O-CG 3.32Å; E306-K310 PolarHBondContact O-N 3.36Å
307	Q	93.3	Very high	92.3	Very high	36 Å²	36	50.6 Å²	50.6	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-43.6	171.9	-68.9	-61.3	-9.5	0	0	111.9	T55 Q303 T304 Y305 K309 K310 F311	T55-Q307 HydrophobicContact CG2-CB 4.09Å; T55-Q307 HydrophobicContact CG2-CG 4.17Å; Q303-Q307 WeakPolarHBondContact O-CG 3.4Å; Q303-Q307 PolarHBondContact O-N 3.42Å; T304-Q307 PolarHBondContact O-N 2.82Å; Y305-Q307 VanDerWaalsContact C-N 3.33Å; Y305-Q307 PolarHBondContact O-N 3.17Å; Q307-K309 VanDerWaalsContact C-N 3.27Å; Q307-K309 PolarHBondContact O-N 3.1Å; Q307-K310 WeakPolarHBondContact O-CB 3.4Å; Q307-K310 PolarHBondContact O-N 2.99Å; Q307-F311 HydrophobicContact CB-CD2 4.43Å; Q307-F311 HydrophobicContact CB-CE2 3.88Å; Q307-F311 HydrophobicContact CB-CZ 4.26Å; Q307-F311 VanDerWaalsContact O-CD2 3.25Å; Q307-F311 WeakPolarHBondContact O-CD2 3.08Å; Q307-F311 VanDerWaalsContact O-CG 3.29Å; Q307-F311 WeakPolarHBondContact O-CG 3.37Å; Q307-F311 PolarHBondContact O-N 2.97Å
308	I	97.1	Very high	92.4	Very high	3 Å²	3	52 Å²	52	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-43	175.1	-69.1	164.3	0	0	0	110.8	C59 I293 T304 Y305 K310 F311 K312 E322 I344 V346	C59-I308 HydrophobicContact CB-CG1 4.37Å; I293-I308 HydrophobicContact CD1-CD1 3.7Å; T304-I308 HydrophobicContact CG2-CD1 4.24Å; T304-I308 WeakPolarHBondContact O-CG1 3.45Å; T304-I308 PolarHBondContact O-N 3.16Å; Y305-I308 PolarHBondContact O-N 2.89Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.19Å; I308-F311 PolarHBondContact O-N 3.45Å; I308-K312 WeakPolarHBondContact O-CB 3.44Å; I308-K312 WeakPolarHBondContact O-CG 3.31Å; I308-K312 PolarHBondContact O-N 3.42Å; I308-E322 HydrophobicContact CG2-CB 4.18Å; I308-E322 HydrophobicContact CG2-CG 4.35Å; I308-I344 HydrophobicContact CD1-CG2 4.1Å; I308-I344 HydrophobicContact CG2-CD1 4.49Å; I308-V346 HydrophobicContact CD1-CG2 3.55Å
309	K	96.4	Very high	92.7	Very high	70 Å²	70	51.5 Å²	51.5	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-41.7	175.2	-78.9	-179.6	176.6	172.2	0	113.4	Y305 E306 Q307 E322	Y305-K309 HydrophobicContact CE1-CD 4.15Å; Y305-K309 VanDerWaalsContact CZ-NZ 3.33Å; Y305-K309 PolarHBondContact O-N 2.88Å; Y305-K309 VanDerWaalsContact O-N 3.16Å; Y305-K309 WeakPolarHBondContact OH-CE 3.16Å; Y305-K309 PolarHBondContact OH-NZ 3.16Å; E306-K309 IonicContact OE1-NZ 2.73Å; E306-K309 PolarHBondContact OE1-NZ 2.86Å; Q307-K309 VanDerWaalsContact C-N 3.27Å; Q307-K309 PolarHBondContact O-N 3.1Å; K309-E322 HydrophobicContact CG-CG 4.29Å; K309-E322 WeakPolarHBondContact CG-OE1 2.79Å
310	K	95.1	Very high	93.2	Very high	105 Å²	105	50 Å²	50	46%	0.457	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-49	176.7	-68.9	172.3	-174	178.1	0	110.8	M22 E306 Q307 I308 K312 R313	M22-K310 HydrophobicContact CE-CD 4.15Å; M22-K310 HydrophobicContact SD-CB 3.88Å; M22-K310 HydrophobicContact SD-CD 4.36Å; E306-K310 WeakPolarHBondContact O-CG 3.32Å; E306-K310 PolarHBondContact O-N 3.36Å; Q307-K310 WeakPolarHBondContact O-CB 3.4Å; Q307-K310 PolarHBondContact O-N 2.99Å; I308-K310 VanDerWaalsContact C-N 3.33Å; I308-K310 PolarHBondContact O-N 3.19Å; K310-K312 PolarHBondContact O-N 3.46Å; K310-R313 VanDerWaalsContact O-CB 3.28Å; K310-R313 WeakPolarHBondContact O-CB 3.26Å; K310-R313 PolarHBondContact O-N 3.21Å
311	F	95.3	Very high	93.6	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-41.6	-178.8	-61.1	-34.8	0	0	0	112.6	L15 A18 V19 M22 W24 C59 L60 L63 Q307 I308 R313	L15-F311 VanDerWaalsContact CD2-O 3.28Å; L15-F311 WeakPolarHBondContact CD2-O 3.11Å; A18-F311 VanDerWaalsContact CB-O 3.31Å; A18-F311 WeakPolarHBondContact CB-O 3.32Å; V19-F311 HydrophobicContact CG2-CD1 4.16Å; V19-F311 HydrophobicContact CG2-CE1 4.43Å; M22-F311 HydrophobicContact CE-CD1 4.39Å; M22-F311 HydrophobicContact CE-CE1 3.66Å; M22-F311 HydrophobicContact CE-CZ 4.32Å; M22-F311 HydrophobicContact SD-CD1 3.81Å; M22-F311 HydrophobicContact SD-CE1 3.62Å; W24-F311 HydrophobicContact CH2-CE1 4.3Å; W24-F311 AromaticContact CH2-CZ 3.98Å; W24-F311 HydrophobicContact CH2-CZ 3.98Å; W24-F311 HydrophobicContact CZ3-CE1 4.19Å; W24-F311 HydrophobicContact CZ3-CZ 4.13Å; C59-F311 HydrophobicContact CB-CD2 3.74Å; C59-F311 HydrophobicContact CB-CE2 3.71Å; L60-F311 HydrophobicContact CD2-CB 4.06Å; L60-F311 HydrophobicContact CD2-CD1 3.87Å; L60-F311 HydrophobicContact CD2-CD2 4.2Å; L60-F311 HydrophobicContact CD2-CE1 4.35Å; L60-F311 HydrophobicContact CD2-CG 3.79Å; L63-F311 HydrophobicContact CD2-CB 3.78Å; Q307-F311 HydrophobicContact CB-CD2 4.43Å; Q307-F311 HydrophobicContact CB-CE2 3.88Å; Q307-F311 HydrophobicContact CB-CZ 4.26Å; Q307-F311 VanDerWaalsContact O-CD2 3.25Å; Q307-F311 WeakPolarHBondContact O-CD2 3.08Å; Q307-F311 VanDerWaalsContact O-CG 3.29Å; Q307-F311 WeakPolarHBondContact O-CG 3.37Å; Q307-F311 PolarHBondContact O-N 2.97Å; I308-F311 PolarHBondContact O-N 3.45Å; F311-R313 PolarHBondContact O-N 2.77Å
312	K	95.6	Very high	93.7	Very high	31 Å²	31	56.4 Å²	56.4	14%	0.135	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-77.6	-1.7	-176.9	79	172.7	-168.2	155.1	0	115	L63 I308 K310 Y314 L315 P320 E322	L63-K312 HydrophobicContact CD1-CB 4.04Å; L63-K312 HydrophobicContact CD2-CB 3.64Å; L63-K312 HydrophobicContact CG-CB 4.38Å; I308-K312 WeakPolarHBondContact O-CB 3.44Å; I308-K312 WeakPolarHBondContact O-CG 3.31Å; I308-K312 PolarHBondContact O-N 3.42Å; K310-K312 PolarHBondContact O-N 3.46Å; K312-Y314 PolarHBondContact O-N 2.89Å; K312-L315 HydrophobicContact CB-CD1 4.24Å; K312-L315 WeakPolarHBondContact O-CB 3.27Å; K312-L315 PolarHBondContact O-N 3.5Å; K312-P320 PolarHBondContact NZ-O 3.04Å; K312-E322 VanDerWaalsContact CD-OE2 3.27Å; K312-E322 WeakPolarHBondContact CD-OE2 3.46Å; K312-E322 WeakPolarHBondContact CE-OE1 3.42Å; K312-E322 WeakPolarHBondContact CE-OE2 3.36Å; K312-E322 IonicContact NZ-OE1 3.56Å; K312-E322 PolarHBondContact NZ-OE1 3.35Å; K312-E322 IonicContact NZ-OE2 3.17Å; K312-E322 PolarHBondContact NZ-OE2 3.36Å
313	R	94.7	Very high	93.9	Very high	154 Å²	154	53.6 Å²	53.6	58%	0.581	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-47.3	-35.4	-169.8	-178.6	179.7	-174.8	176.4	5.8	114.2	E21 K310 F311	E21-R313 IonicContact OE2-CZ 3.56Å; E21-R313 IonicContact OE2-NE 2.66Å; E21-R313 IonicContact OE2-NH1 3.23Å; E21-R313 PolarHBondContact OE2-NH1 3.18Å; K310-R313 VanDerWaalsContact O-CB 3.28Å; K310-R313 WeakPolarHBondContact O-CB 3.26Å; K310-R313 PolarHBondContact O-N 3.21Å; F311-R313 PolarHBondContact O-N 2.77Å
314	Y	95.4	Very high	94.3	Very high	49 Å²	49	51.8 Å²	51.8	19%	0.192	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-101.5	-3.7	-177.5	-65.8	-63.7	0	0	0	114.8	E14 K17 A18 E21 K312 K316	E14-Y314 WeakPolarHBondContact O-CB 3.44Å; K17-Y314 HydrophobicContact CB-CD2 3.99Å; K17-Y314 HydrophobicContact CB-CE2 4.31Å; K17-Y314 HydrophobicContact CD-CD1 4.17Å; K17-Y314 HydrophobicContact CD-CD2 3.84Å; K17-Y314 HydrophobicContact CD-CE1 4.15Å; K17-Y314 HydrophobicContact CD-CE2 3.79Å; K17-Y314 HydrophobicContact CD-CG 4.05Å; K17-Y314 HydrophobicContact CG-CD2 3.83Å; K17-Y314 HydrophobicContact CG-CE2 3.69Å; A18-Y314 HydrophobicContact CB-CD2 3.94Å; A18-Y314 HydrophobicContact CB-CE2 4.39Å; E21-Y314 PolarHBondContact OE1-OH 3.43Å; E21-Y314 PolarHBondContact OE2-OH 2.89Å; E21-Y314 VanDerWaalsContact OE2-OH 3.11Å; K312-Y314 PolarHBondContact O-N 2.89Å; Y314-K316 PolarHBondContact O-N 3.16Å
315	L	94.5	Very high	94.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.236	C	C	.	.			trans	-77.5	110	174.8	-62.6	-177.3	0	0	0	110.3	L12 E14 L15 L63 Y67 K312 C319 P320	L12-L315 HydrophobicContact CD1-CD2 4.48Å; E14-L315 HydrophobicContact CB-CD2 3.77Å; E14-L315 HydrophobicContact CG-CD2 4.44Å; L15-L315 HydrophobicContact CD2-CD1 3.75Å; L15-L315 HydrophobicContact CD2-CD2 4.29Å; L15-L315 HydrophobicContact CD2-CG 4Å; L15-L315 HydrophobicContact CG-CD1 4.4Å; L15-L315 HydrophobicContact CG-CD2 4.26Å; L63-L315 HydrophobicContact CD1-CD1 4.05Å; L63-L315 HydrophobicContact CD2-CD1 3.99Å; L63-L315 HydrophobicContact CG-CD1 3.68Å; Y67-L315 HydrophobicContact CD1-CD2 3.77Å; Y67-L315 HydrophobicContact CD2-CB 4.12Å; Y67-L315 HydrophobicContact CD2-CD1 4.36Å; Y67-L315 HydrophobicContact CD2-CD2 4.32Å; Y67-L315 HydrophobicContact CE1-CD2 3.8Å; Y67-L315 HydrophobicContact CE2-CB 4.1Å; Y67-L315 HydrophobicContact CE2-CD2 4.36Å; Y67-L315 HydrophobicContact CG-CD1 4.11Å; Y67-L315 HydrophobicContact CG-CD2 4.01Å; Y67-L315 HydrophobicContact CG-CG 4.47Å; K312-L315 HydrophobicContact CB-CD1 4.24Å; K312-L315 WeakPolarHBondContact O-CB 3.27Å; K312-L315 PolarHBondContact O-N 3.5Å; L315-C319 WeakPolarHBondContact O-CB 3.33Å; L315-C319 PolarHBondContact O-SG 2.66Å; L315-P320 HydrophobicContact CD1-CG 4.18Å
316	K	91.7	Very high	94.2	Very high	135 Å²	135	50.9 Å²	50.9	59%	0.587	23%	0.233	S	C	*	.			trans	-124	155.2	179.9	-63.2	-179.6	-178.6	-178.4	0	110.7	Y67 Y314	Y67-K316 WeakPolarHBondContact CE2-O 3.48Å; Y67-K316 PolarHBondContact OH-O 3.28Å; Y314-K316 PolarHBondContact O-N 3.16Å
317	D	87.3	Confident	93.7	Very high	128 Å²	128	47.7 Å²	47.7	68%	0.684	22%	0.223	S	C	*	.	S	Bend	trans	50.8	71.2	171.1	-57.4	-48.8	0	0	0	115.1
318	P	87.7	Confident	93	Very high	36 Å²	36	49.3 Å²	49.3	23%	0.234	25%	0.249	C	C	.	.	S	Bend	cis	-94.8	147.4	-1.4	35.7	-29.5	0	0	0	112	Y67 L70 Q74 P320	Y67-P318 VanDerWaalsContact CD2-O 3.27Å; Y67-P318 WeakPolarHBondContact CD2-O 3.09Å; Y67-P318 WeakPolarHBondContact CE2-O 3.46Å; L70-P318 HydrophobicContact CB-CG 3.56Å; L70-P318 HydrophobicContact CD1-CG 4.49Å; Q74-P318 VanDerWaalsContact OE1-CD 3.28Å; P318-P320 WeakPolarHBondContact O-CD 3.2Å
319	C	91.9	Very high	92.3	Very high	57 Å²	57	51.1 Å²	51.1	39%	0.385	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-77.2	125.7	170.5	-172	0	0	0	0	109.5	L315	L315-C319 WeakPolarHBondContact O-CB 3.33Å; L315-C319 PolarHBondContact O-SG 2.66Å
320	P	95	Very high	91.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-57.4	139	174.4	-24.5	35.2	0	0	0	111.6	L63 V66 Y67 L70 K312 L315 P318	L63-P320 HydrophobicContact CD1-CB 3.94Å; L63-P320 HydrophobicContact CD1-CG 3.89Å; V66-P320 HydrophobicContact CG1-CB 4.15Å; V66-P320 HydrophobicContact CG1-CG 4.5Å; Y67-P320 HydrophobicContact CD2-CG 4.15Å; L70-P320 HydrophobicContact CD1-CB 4.18Å; L70-P320 HydrophobicContact CD1-CG 4.19Å; K312-P320 PolarHBondContact NZ-O 3.04Å; L315-P320 HydrophobicContact CD1-CG 4.18Å; P318-P320 WeakPolarHBondContact O-CD 3.2Å
321	R	95.6	Very high	91.3	Very high	117 Å²	117	50.4 Å²	50.4	44%	0.442	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-101.6	120.4	180	-65.6	177.5	-75.5	174	-1.4	111.1	S340 G341 D343 I344	R321-S340 PolarHBondContact NH1-O 2.88Å; R321-G341 WeakPolarHBondContact CD-O 3.41Å; R321-G341 PolarHBondContact NE-O 2.76Å; R321-G341 PolarHBondContact NH1-O 3.42Å; R321-D343 WeakPolarHBondContact CB-OD2 3.32Å; R321-D343 PolarHBondContact N-OD2 2.75Å; R321-D343 IonicContact NE-OD2 3.37Å; R321-D343 WeakPolarHBondContact O-CA 3.5Å; R321-D343 PolarHBondContact O-N 3.4Å; R321-I344 PolarHBondContact O-N 2.85Å
322	E	95.5	Very high	91	Very high	25 Å²	25	57.6 Å²	57.6	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.8	176.9	68.4	-68.9	167.4	0	0	111.6	Y305 I308 K309 K312 I344	Y305-E322 HydrophobicContact CD2-CB 4.27Å; Y305-E322 HydrophobicContact CD2-CG 3.78Å; Y305-E322 HydrophobicContact CE2-CB 4.12Å; Y305-E322 HydrophobicContact CE2-CG 3.4Å; Y305-E322 VanDerWaalsContact CE2-CG 3.4Å; I308-E322 HydrophobicContact CG2-CB 4.18Å; I308-E322 HydrophobicContact CG2-CG 4.35Å; K309-E322 HydrophobicContact CG-CG 4.29Å; K309-E322 WeakPolarHBondContact CG-OE1 2.79Å; K312-E322 VanDerWaalsContact CD-OE2 3.27Å; K312-E322 WeakPolarHBondContact CD-OE2 3.46Å; K312-E322 WeakPolarHBondContact CE-OE1 3.42Å; K312-E322 WeakPolarHBondContact CE-OE2 3.36Å; K312-E322 IonicContact NZ-OE1 3.56Å; K312-E322 PolarHBondContact NZ-OE1 3.35Å; K312-E322 IonicContact NZ-OE2 3.17Å; K312-E322 PolarHBondContact NZ-OE2 3.36Å; E322-I344 CarbonylContact C-O 3.58Å; E322-I344 WeakPolarHBondContact CA-O 3.16Å; E322-I344 HydrophobicContact CB-CB 4.42Å
323	C	95.8	Very high	90.7	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.9	174	-173.2	0	0	0	0	110.5	L325 E337 V342 I344 V346	C323-L325 VanDerWaalsContact SG-CD2 3.57Å; C323-E337 PolarHBondContact SG-OE2 2.78Å; C323-V342 HydrophobicContact CB-CB 4.33Å; C323-V342 HydrophobicContact CB-CG2 3.56Å; C323-I344 PolarHBondContact N-O 3.07Å; C323-V346 PolarHBondContact O-N 3.27Å
324	L	96.7	Very high	90.6	Very high	24 Å²	24	54.1 Å²	54.1	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.9	178.2	-179.6	63.7	0	0	0	110.9	A301 E302 Y305 I326 Q334 V346	A301-L324 HydrophobicContact CB-CD1 3.79Å; E302-L324 HydrophobicContact CG-CD2 3.68Å; Y305-L324 HydrophobicContact CD1-CB 4.16Å; Y305-L324 HydrophobicContact CD1-CD2 4.02Å; Y305-L324 HydrophobicContact CD2-CB 3.7Å; Y305-L324 HydrophobicContact CE1-CB 4.24Å; Y305-L324 HydrophobicContact CE1-CD2 4.42Å; Y305-L324 HydrophobicContact CE2-CB 3.79Å; Y305-L324 HydrophobicContact CG-CB 3.88Å; Y305-L324 HydrophobicContact CG-CD1 4.32Å; Y305-L324 HydrophobicContact CG-CD2 4.26Å; Y305-L324 HydrophobicContact CG-CG 4.38Å; L324-I326 HydrophobicContact CD1-CG2 3.75Å; L324-I326 HydrophobicContact CD2-CD1 3.99Å; L324-I326 HydrophobicContact CD2-CG1 4.38Å; L324-I326 HydrophobicContact CG-CD1 4.35Å; L324-I326 HydrophobicContact CG-CG1 4.24Å; L324-I326 HydrophobicContact CG-CG2 4.03Å; L324-Q334 PolarHBondContact O-NE2 3.48Å; L324-Q334 VanDerWaalsContact O-NE2 3.12Å; L324-V346 WeakPolarHBondContact CA-O 3.42Å; L324-V346 HydrophobicContact CD1-CB 4.25Å; L324-V346 HydrophobicContact CD1-CG1 4.36Å
325	L	95.8	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	85.5	-177.4	-55.3	178.8	0	0	0	111	C323 Q334 L338 V345 V346 A347 T348 R351 L355 L361	C323-L325 VanDerWaalsContact SG-CD2 3.57Å; L325-Q334 HydrophobicContact CD2-CB 4.05Å; L325-Q334 HydrophobicContact CD2-CG 4.16Å; L325-L338 HydrophobicContact CD1-CD2 4.4Å; L325-L338 HydrophobicContact CD2-CD1 4.27Å; L325-L338 HydrophobicContact CD2-CG 4.41Å; L325-V345 HydrophobicContact CD1-CG1 3.48Å; L325-V345 VanDerWaalsContact CD1-CG1 3.48Å; L325-V345 HydrophobicContact CD1-CG2 4.31Å; L325-V345 HydrophobicContact CG-CG1 3.99Å; L325-V346 PolarHBondContact N-O 2.84Å; L325-A347 HydrophobicContact CB-CB 3.81Å; L325-A347 VanDerWaalsContact O-CA 3.32Å; L325-A347 WeakPolarHBondContact O-CA 3.28Å; L325-T348 PolarHBondContact O-N 3.07Å; L325-R351 HydrophobicContact CB-CG 4.28Å; L325-L355 HydrophobicContact CB-CD1 4.2Å; L325-L355 HydrophobicContact CD1-CD1 3.69Å; L325-L355 HydrophobicContact CD2-CD1 3.79Å; L325-L355 HydrophobicContact CG-CD1 4.1Å; L325-L361 HydrophobicContact CD1-CD1 4.5Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å
326	I	92.7	Very high	90.1	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.046	32%	0.321	C	S	.	.			trans	-119.9	149.8	177.3	62.3	174.4	0	0	0	111.9	R298 A301 E302 L324 A329 Q334 T348	R298-I326 HydrophobicContact CB-CD1 4.36Å; R298-I326 HydrophobicContact CG-CB 4.14Å; R298-I326 HydrophobicContact CG-CG2 4.41Å; A301-I326 HydrophobicContact CB-CG2 3.77Å; E302-I326 HydrophobicContact CG-CD1 4.06Å; E302-I326 WeakPolarHBondContact OE1-CD1 3.34Å; L324-I326 HydrophobicContact CD1-CG2 3.75Å; L324-I326 HydrophobicContact CD2-CD1 3.99Å; L324-I326 HydrophobicContact CD2-CG1 4.38Å; L324-I326 HydrophobicContact CG-CD1 4.35Å; L324-I326 HydrophobicContact CG-CG1 4.24Å; L324-I326 HydrophobicContact CG-CG2 4.03Å; I326-A329 HydrophobicContact CG1-CB 4.04Å; I326-Q334 VanDerWaalsContact N-NE2 3.11Å; I326-Q334 PolarHBondContact O-NE2 3.21Å; I326-T348 HydrophobicContact CG2-CG2 3.86Å
327	G	85	Confident	90.1	Very high	19 Å²	19	54.4 Å²	54.4	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	156.4	174.1	0	0	0	0	0	112.2	R298 A329	R298-G327 PolarHBondContact NE-O 3.17Å; R298-G327 PolarHBondContact NH1-O 3.38Å; R298-G327 PolarHBondContact NH2-O 2.93Å; G327-A329 PolarHBondContact O-N 3.04Å; G327-A329 VanDerWaalsContact O-N 3.12Å
328	G	79.4	Confident	90.2	Very high	69 Å²	69	48.4 Å²	48.4	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-5.3	177.3	0	0	0	0	0	115.7
329	A	82.2	Confident	90.2	Very high	41 Å²	41	52.8 Å²	52.8	34%	0.339	29%	0.29	S	S	.	.	S	Bend	trans	-79.2	169.6	165.7	0	0	0	0	0	110.9	I326 G327 S331	I326-A329 HydrophobicContact CG1-CB 4.04Å; G327-A329 PolarHBondContact O-N 3.04Å; G327-A329 VanDerWaalsContact O-N 3.12Å; A329-S331 PolarHBondContact O-N 2.77Å
330	N	84.9	Confident	90.1	Very high	96 Å²	96	53.7 Å²	53.7	51%	0.513	30%	0.297	S	S	.	.			trans	-67.5	107.1	179.5	-174.4	-27.3	0	0	0	110.7	K332 Q333 Q334	N330-K332 VanDerWaalsContact C-N 3.27Å; N330-K332 PolarHBondContact O-N 2.81Å; N330-K332 WeakPolarHBondContact OD1-CB 3.36Å; N330-K332 PolarHBondContact OD1-N 2.89Å; N330-Q333 HydrophobicContact CB-CB 3.98Å; N330-Q333 WeakPolarHBondContact O-CB 3.46Å; N330-Q333 PolarHBondContact O-N 3.34Å; N330-Q333 PolarHBondContact OD1-N 3.41Å; N330-Q334 PolarHBondContact O-N 3.42Å; N330-Q334 VanDerWaalsContact O-N 3.11Å
331	S	85.6	Confident	89.9	Confident	65 Å²	65	53.8 Å²	53.8	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-58.1	-37.5	-179	-56.5	0	0	0	0	112.9	A329 Q334 M335	A329-S331 PolarHBondContact O-N 2.77Å; S331-Q334 PolarHBondContact O-N 3.43Å; S331-M335 VanDerWaalsContact O-CG 3.24Å; S331-M335 WeakPolarHBondContact O-CG 3.47Å; S331-M335 PolarHBondContact O-N 2.92Å
332	K	88.5	Confident	89.8	Confident	151 Å²	151	48.4 Å²	48.4	66%	0.657	28%	0.279	S	S	*	.	H	α-helix	trans	-64.6	-44.5	179.2	-176.1	178.7	177	-179.6	0	110.7	N330 Q334 M335 D336	N330-K332 VanDerWaalsContact C-N 3.27Å; N330-K332 PolarHBondContact O-N 2.81Å; N330-K332 WeakPolarHBondContact OD1-CB 3.36Å; N330-K332 PolarHBondContact OD1-N 2.89Å; K332-Q334 PolarHBondContact O-N 2.95Å; K332-M335 PolarHBondContact O-N 2.88Å; K332-D336 WeakPolarHBondContact O-CB 3.35Å; K332-D336 PolarHBondContact O-N 3.36Å
333	Q	89.7	Confident	89.8	Confident	106 Å²	106	47.6 Å²	47.6	50%	0.495	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-46.1	177.1	-175	-173.8	-14.3	0	0	111.9	N330 M335 D336 E337	N330-Q333 HydrophobicContact CB-CB 3.98Å; N330-Q333 WeakPolarHBondContact O-CB 3.46Å; N330-Q333 PolarHBondContact O-N 3.34Å; N330-Q333 PolarHBondContact OD1-N 3.41Å; Q333-M335 VanDerWaalsContact C-N 3.3Å; Q333-M335 PolarHBondContact O-N 3.02Å; Q333-D336 PolarHBondContact O-N 3.43Å; Q333-E337 PolarHBondContact NE2-OE1 2.95Å; Q333-E337 WeakPolarHBondContact O-CG 3.46Å; Q333-E337 PolarHBondContact O-N 3.02Å
334	Q	90.9	Very high	89.9	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-42.1	176.3	-73.5	179.1	-18	0	0	111.8	L324 L325 I326 N330 S331 K332 E337 L338	L324-Q334 PolarHBondContact O-NE2 3.48Å; L324-Q334 VanDerWaalsContact O-NE2 3.12Å; L325-Q334 HydrophobicContact CD2-CB 4.05Å; L325-Q334 HydrophobicContact CD2-CG 4.16Å; I326-Q334 VanDerWaalsContact N-NE2 3.11Å; I326-Q334 PolarHBondContact O-NE2 3.21Å; N330-Q334 PolarHBondContact O-N 3.42Å; N330-Q334 VanDerWaalsContact O-N 3.11Å; S331-Q334 PolarHBondContact O-N 3.43Å; K332-Q334 PolarHBondContact O-N 2.95Å; Q334-E337 PolarHBondContact O-N 3.5Å; Q334-L338 WeakPolarHBondContact O-CG 3.3Å; Q334-L338 PolarHBondContact O-N 3.42Å
335	M	89.6	Confident	90	Very high	47 Å²	47	46.4 Å²	46.4	23%	0.232	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176	-68	-60.8	-62.8	0	0	111.1	S331 K332 Q333 E337 L338 H339 L355	S331-M335 VanDerWaalsContact O-CG 3.24Å; S331-M335 WeakPolarHBondContact O-CG 3.47Å; S331-M335 PolarHBondContact O-N 2.92Å; K332-M335 PolarHBondContact O-N 2.88Å; Q333-M335 VanDerWaalsContact C-N 3.3Å; Q333-M335 PolarHBondContact O-N 3.02Å; M335-E337 VanDerWaalsContact C-N 3.3Å; M335-E337 PolarHBondContact O-N 3.39Å; M335-L338 PolarHBondContact O-N 2.95Å; M335-L338 HydrophobicContact SD-CD1 4.45Å; M335-H339 PolarHBondContact O-N 3.11Å; M335-H339 PolarHBondContact O-ND1 2.94Å; M335-L355 HydrophobicContact SD-CD2 3.7Å
336	D	90.7	Very high	90.1	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-40.9	179.1	-67.4	-19	0	0	0	111.1	K332 Q333 H339 S340	K332-D336 WeakPolarHBondContact O-CB 3.35Å; K332-D336 PolarHBondContact O-N 3.36Å; Q333-D336 PolarHBondContact O-N 3.43Å; D336-H339 PolarHBondContact O-N 3.15Å; D336-S340 WeakPolarHBondContact O-CB 3.5Å; D336-S340 PolarHBondContact O-N 3.15Å
337	E	90.6	Very high	90.3	Very high	54 Å²	54	46 Å²	46	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-47.8	173.4	-74.4	176.3	-157.7	0	0	111.6	C323 Q333 Q334 M335 H339 S340 G341	C323-E337 PolarHBondContact SG-OE2 2.78Å; Q333-E337 PolarHBondContact NE2-OE1 2.95Å; Q333-E337 WeakPolarHBondContact O-CG 3.46Å; Q333-E337 PolarHBondContact O-N 3.02Å; Q334-E337 PolarHBondContact O-N 3.5Å; M335-E337 VanDerWaalsContact C-N 3.3Å; M335-E337 PolarHBondContact O-N 3.39Å; E337-H339 VanDerWaalsContact C-N 3.35Å; E337-H339 PolarHBondContact O-N 3.09Å; E337-S340 PolarHBondContact O-N 3.02Å; E337-S340 PolarHBondContact O-OG 3.12Å; E337-G341 PolarHBondContact O-N 3.1Å
338	L	91.4	Very high	90.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-40.8	176.2	-70.8	176.4	0	0	0	112.7	P286 N287 L325 Q334 M335 S340 G341 V342 L355 L361	P286-L338 CarbonylContact C-O 3.55Å; N287-L338 HydrophobicContact CB-CB 4.46Å; L325-L338 HydrophobicContact CD1-CD2 4.4Å; L325-L338 HydrophobicContact CD2-CD1 4.27Å; L325-L338 HydrophobicContact CD2-CG 4.41Å; Q334-L338 WeakPolarHBondContact O-CG 3.3Å; Q334-L338 PolarHBondContact O-N 3.42Å; M335-L338 PolarHBondContact O-N 2.95Å; M335-L338 HydrophobicContact SD-CD1 4.45Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-G341 PolarHBondContact O-N 3.28Å; L338-V342 HydrophobicContact CD2-CB 4.48Å; L338-V342 HydrophobicContact CD2-CG1 3.74Å; L338-L355 HydrophobicContact CD1-CD1 4.24Å; L338-L355 HydrophobicContact CD1-CD2 4.43Å; L338-L361 HydrophobicContact CD2-CD1 3.65Å
339	H	87.5	Confident	91.4	Very high	128 Å²	128	42.5 Å²	42.5	59%	0.593	23%	0.228	S	C	*	.	H	α-helix	trans	-68.6	-34	177	-70.8	103.9	0	0	0	112.3	P286 M335 D336 E337 G341	P286-H339 WeakPolarHBondContact CB-O 3.39Å; M335-H339 PolarHBondContact O-N 3.11Å; M335-H339 PolarHBondContact O-ND1 2.94Å; D336-H339 PolarHBondContact O-N 3.15Å; E337-H339 VanDerWaalsContact C-N 3.35Å; E337-H339 PolarHBondContact O-N 3.09Å; H339-G341 PolarHBondContact O-N 3.06Å
340	S	88.9	Confident	91.8	Very high	76 Å²	76	43 Å²	43	53%	0.531	24%	0.236	S	C	.	.	H	α-helix	trans	-67.4	-28.5	177.2	80.3	0	0	0	0	112.3	R321 D336 E337 L338	R321-S340 PolarHBondContact NH1-O 2.88Å; D336-S340 WeakPolarHBondContact O-CB 3.5Å; D336-S340 PolarHBondContact O-N 3.15Å; E337-S340 PolarHBondContact O-N 3.02Å; E337-S340 PolarHBondContact O-OG 3.12Å; L338-S340 VanDerWaalsContact C-N 3.35Å
341	G	90.4	Very high	92.1	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	22%	0.217	C	C	.	.			trans	117.5	132.7	176.9	0	0	0	0	0	112.5	P286 R321 E337 L338 H339	P286-G341 CarbonylContact O-C 3.51Å; P286-G341 VanDerWaalsContact O-CA 3.22Å; P286-G341 WeakPolarHBondContact O-CA 3.42Å; R321-G341 WeakPolarHBondContact CD-O 3.41Å; R321-G341 PolarHBondContact NE-O 2.76Å; R321-G341 PolarHBondContact NH1-O 3.42Å; E337-G341 PolarHBondContact O-N 3.1Å; L338-G341 PolarHBondContact O-N 3.28Å; H339-G341 PolarHBondContact O-N 3.06Å
342	V	94.5	Very high	92.6	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	20%	0.196	C	C	.	.			trans	-131.1	142.3	-177.6	64.3	0	0	0	0	111	P286 P289 C323 L338 I344 V345	P286-V342 PolarHBondContact O-N 3.23Å; P289-V342 HydrophobicContact CB-CG1 4.28Å; C323-V342 HydrophobicContact CB-CB 4.33Å; C323-V342 HydrophobicContact CB-CG2 3.56Å; L338-V342 HydrophobicContact CD2-CB 4.48Å; L338-V342 HydrophobicContact CD2-CG1 3.74Å; V342-I344 WeakPolarHBondContact CG2-O 3.47Å; V342-V345 HydrophobicContact CG1-CG2 4.08Å; V342-V345 HydrophobicContact CG2-CG2 3.71Å
343	D	95.4	Very high	92.8	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-111	-33.9	178.3	-51.9	-56.3	0	0	0	111.3	V66 L70 P289 L290 A291 R321	V66-D343 HydrophobicContact CG1-CB 4.01Å; L70-D343 HydrophobicContact CD1-CB 4.19Å; L70-D343 WeakPolarHBondContact CD2-OD1 3.33Å; P289-D343 WeakPolarHBondContact CB-O 3.42Å; L290-D343 PolarHBondContact N-O 2.95Å; A291-D343 PolarHBondContact N-O 3.35Å; A291-D343 VanDerWaalsContact N-O 3.11Å; R321-D343 WeakPolarHBondContact CB-OD2 3.32Å; R321-D343 PolarHBondContact N-OD2 2.75Å; R321-D343 IonicContact NE-OD2 3.37Å; R321-D343 WeakPolarHBondContact O-CA 3.5Å; R321-D343 PolarHBondContact O-N 3.4Å
344	I	97.7	Very high	92.9	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.7	177.8	-52.8	-178.2	0	0	0	109.9	L63 V66 A291 I293 I308 R321 E322 C323 V342	L63-I344 HydrophobicContact CD1-CD1 3.67Å; V66-I344 HydrophobicContact CB-CD1 4.41Å; V66-I344 HydrophobicContact CG1-CD1 4.22Å; V66-I344 HydrophobicContact CG1-CG1 4.08Å; V66-I344 HydrophobicContact CG2-CD1 4.33Å; V66-I344 HydrophobicContact CG2-CG1 4.23Å; A291-I344 HydrophobicContact CB-CG1 4.22Å; A291-I344 HydrophobicContact CB-CG2 4.14Å; A291-I344 WeakPolarHBondContact O-CA 3.27Å; I293-I344 HydrophobicContact CD1-CG2 4.02Å; I308-I344 HydrophobicContact CD1-CG2 4.1Å; I308-I344 HydrophobicContact CG2-CD1 4.49Å; R321-I344 PolarHBondContact O-N 2.85Å; E322-I344 CarbonylContact C-O 3.58Å; E322-I344 WeakPolarHBondContact CA-O 3.16Å; E322-I344 HydrophobicContact CB-CB 4.42Å; C323-I344 PolarHBondContact N-O 3.07Å; V342-I344 WeakPolarHBondContact CG2-O 3.47Å
345	V	98	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.7	174.6	167.1	0	0	0	0	109.6	P289 A291 L292 I293 L325 V342 A347 L361	P289-V345 HydrophobicContact CB-CB 4.44Å; P289-V345 HydrophobicContact CB-CG2 3.91Å; P289-V345 HydrophobicContact CG-CB 4.25Å; P289-V345 HydrophobicContact CG-CG2 3.77Å; A291-V345 PolarHBondContact O-N 3.45Å; L292-V345 HydrophobicContact CD1-CB 3.99Å; L292-V345 HydrophobicContact CD1-CG1 3.64Å; I293-V345 PolarHBondContact N-O 3.12Å; L325-V345 HydrophobicContact CD1-CG1 3.48Å; L325-V345 VanDerWaalsContact CD1-CG1 3.48Å; L325-V345 HydrophobicContact CD1-CG2 4.31Å; L325-V345 HydrophobicContact CG-CG1 3.99Å; V342-V345 HydrophobicContact CG1-CG2 4.08Å; V342-V345 HydrophobicContact CG2-CG2 3.71Å; V345-A347 HydrophobicContact CG1-CB 4Å; V345-L361 HydrophobicContact CG2-CD1 4.06Å
346	V	98.2	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.2	165.3	-171.6	0	0	0	0	107.7	I293 E295 A301 T304 I308 C323 L324 L325	I293-V346 HydrophobicContact CB-CG2 4.36Å; I293-V346 HydrophobicContact CD1-CG2 4.06Å; I293-V346 HydrophobicContact CG2-CG1 4.47Å; I293-V346 WeakPolarHBondContact O-CA 3.38Å; E295-V346 HydrophobicContact CG-CG1 4.18Å; A301-V346 HydrophobicContact CB-CG1 4.06Å; A301-V346 WeakPolarHBondContact O-CG1 3.31Å; T304-V346 HydrophobicContact CG2-CG1 4.23Å; T304-V346 HydrophobicContact CG2-CG2 4.3Å; I308-V346 HydrophobicContact CD1-CG2 3.55Å; C323-V346 PolarHBondContact O-N 3.27Å; L324-V346 WeakPolarHBondContact CA-O 3.42Å; L324-V346 HydrophobicContact CD1-CB 4.25Å; L324-V346 HydrophobicContact CD1-CG1 4.36Å; L325-V346 PolarHBondContact N-O 2.84Å
347	A	96.9	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.8	-171.2	0	0	0	0	0	114.2	I293 I294 E295 L325 V345 L352	I293-A347 PolarHBondContact O-N 2.84Å; I294-A347 WeakPolarHBondContact CA-O 3.33Å; E295-A347 PolarHBondContact N-O 3.2Å; L325-A347 HydrophobicContact CB-CB 3.81Å; L325-A347 VanDerWaalsContact O-CA 3.32Å; L325-A347 WeakPolarHBondContact O-CA 3.28Å; V345-A347 HydrophobicContact CG1-CB 4Å; A347-L352 HydrophobicContact CB-CB 3.89Å; A347-L352 HydrophobicContact CB-CD1 4.04Å; A347-L352 HydrophobicContact CB-CD2 4.21Å; A347-L352 HydrophobicContact CB-CG 4.27Å
348	T	94.8	Very high	93.1	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.08	17%	0.174	C	C	.	.			trans	-88.2	145.4	163.5	52.7	0	0	0	0	110.8	S297 R298 A301 L325 I326 G350 R351 L352	S297-T348 WeakPolarHBondContact O-CG2 3.41Å; R298-T348 HydrophobicContact CB-CG2 4.48Å; R298-T348 HydrophobicContact CG-CG2 3.98Å; A301-T348 HydrophobicContact CB-CG2 4.16Å; L325-T348 PolarHBondContact O-N 3.07Å; I326-T348 HydrophobicContact CG2-CG2 3.86Å; T348-G350 PolarHBondContact O-N 3.07Å; T348-R351 PolarHBondContact O-N 2.73Å; T348-L352 WeakPolarHBondContact O-CB 3.16Å; T348-L352 PolarHBondContact O-N 3.41Å; T348-L352 VanDerWaalsContact O-N 3.09Å
349	P	93.6	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-49.7	-52.5	-173.6	-31.9	33.5	0	0	0	114.5	I294 E295 R351 L352 D353 L377 Y382 M385	I294-P349 HydrophobicContact CG2-CG 3.83Å; E295-P349 WeakPolarHBondContact O-CD 3.36Å; P349-R351 VanDerWaalsContact C-N 3.33Å; P349-R351 PolarHBondContact O-N 3.47Å; P349-L352 PolarHBondContact O-N 2.9Å; P349-L352 VanDerWaalsContact O-N 3.17Å; P349-D353 PolarHBondContact O-N 2.85Å; P349-L377 HydrophobicContact CG-CD2 3.52Å; P349-Y382 HydrophobicContact CB-CD1 3.52Å; P349-Y382 HydrophobicContact CB-CD2 3.92Å; P349-Y382 HydrophobicContact CB-CE1 3.59Å; P349-Y382 HydrophobicContact CB-CE2 3.96Å; P349-Y382 HydrophobicContact CB-CG 3.7Å; P349-Y382 HydrophobicContact CG-CD1 4.2Å; P349-Y382 HydrophobicContact CG-CD2 3.67Å; P349-Y382 HydrophobicContact CG-CE1 4.37Å; P349-Y382 HydrophobicContact CG-CE2 3.83Å; P349-Y382 HydrophobicContact CG-CG 3.86Å; P349-M385 HydrophobicContact CB-CE 4.02Å; P349-M385 HydrophobicContact CB-SD 3.64Å; P349-M385 WeakPolarHBondContact O-CE 3.46Å
350	G	89.3	Confident	93.2	Very high	50 Å²	50	30.7 Å²	30.7	52%	0.515	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-39.2	-174.7	0	0	0	0	0	114.1	T348	T348-G350 PolarHBondContact O-N 3.07Å
351	R	92.8	Very high	93.4	Very high	32 Å²	32	27.1 Å²	27.1	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-77.9	-34.3	178.9	-176.8	54.8	170.8	150	4.8	112	L325 T348 P349 D354 L355	L325-R351 HydrophobicContact CB-CG 4.28Å; T348-R351 PolarHBondContact O-N 2.73Å; P349-R351 VanDerWaalsContact C-N 3.33Å; P349-R351 PolarHBondContact O-N 3.47Å; R351-D354 IonicContact CZ-OD2 3.77Å; R351-D354 IonicContact NH1-OD2 2.65Å; R351-D354 PolarHBondContact NH1-OD2 3.01Å; R351-L355 HydrophobicContact CG-CD1 4.13Å; R351-L355 WeakPolarHBondContact O-CG 3.33Å; R351-L355 PolarHBondContact O-N 3.1Å
352	L	95.3	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-46	177.4	-178.1	61.5	0	0	0	111.9	L292 I294 A347 T348 P349 D354 L355 I356 L361 M385 I389	L292-L352 HydrophobicContact CD1-CD1 3.7Å; L292-L352 HydrophobicContact CD1-CD2 3.94Å; L292-L352 HydrophobicContact CD1-CG 4.48Å; L292-L352 HydrophobicContact CD2-CD1 4.45Å; L292-L352 HydrophobicContact CD2-CD2 4.15Å; L292-L352 HydrophobicContact CG-CD2 4.4Å; I294-L352 HydrophobicContact CD1-CD2 3.47Å; I294-L352 VanDerWaalsContact CD1-CD2 3.47Å; I294-L352 HydrophobicContact CG1-CD2 3.63Å; A347-L352 HydrophobicContact CB-CB 3.89Å; A347-L352 HydrophobicContact CB-CD1 4.04Å; A347-L352 HydrophobicContact CB-CD2 4.21Å; A347-L352 HydrophobicContact CB-CG 4.27Å; T348-L352 WeakPolarHBondContact O-CB 3.16Å; T348-L352 PolarHBondContact O-N 3.41Å; T348-L352 VanDerWaalsContact O-N 3.09Å; P349-L352 PolarHBondContact O-N 2.9Å; P349-L352 VanDerWaalsContact O-N 3.17Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.84Å; L352-L355 PolarHBondContact O-N 3.48Å; L352-I356 HydrophobicContact CD1-CD1 3.77Å; L352-I356 HydrophobicContact CD1-CG1 4.24Å; L352-I356 HydrophobicContact CD2-CD1 4.46Å; L352-I356 HydrophobicContact CG-CD1 3.7Å; L352-I356 WeakPolarHBondContact O-CG1 3.41Å; L352-I356 PolarHBondContact O-N 3.03Å; L352-L361 HydrophobicContact CD1-CD2 3.46Å; L352-L361 VanDerWaalsContact CD1-CD2 3.46Å; L352-M385 HydrophobicContact CB-CE 4.12Å; L352-M385 HydrophobicContact CD2-CE 4.18Å; L352-M385 HydrophobicContact CG-CE 4.28Å; L352-I389 HydrophobicContact CD2-CD1 3.83Å; L352-I389 HydrophobicContact CG-CD1 4.14Å
353	D	93	Very high	93.4	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.203	17%	0.172	C	C	.	.	H	α-helix	trans	-62	-41	-178.2	-152	31.1	0	0	0	111.7	P349 I356 S357 M385 R388	P349-D353 PolarHBondContact O-N 2.85Å; D353-I356 PolarHBondContact O-N 2.94Å; D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.31Å; D353-S357 PolarHBondContact O-N 3.28Å; D353-S357 PolarHBondContact O-OG 3.01Å; D353-S357 VanDerWaalsContact O-OG 3.07Å; D353-M385 HydrophobicContact CB-CE 3.7Å; D353-M385 HydrophobicContact CB-CG 4.39Å; D353-M385 HydrophobicContact CB-SD 3.9Å; D353-R388 VanDerWaalsContact CG-NH1 3.32Å; D353-R388 IonicContact OD1-CZ 2.8Å; D353-R388 IonicContact OD1-NH1 3.44Å; D353-R388 PolarHBondContact OD1-NH1 3.21Å; D353-R388 IonicContact OD1-NH2 3.6Å; D353-R388 PolarHBondContact OD1-NH2 3.16Å; D353-R388 IonicContact OD2-CZ 2.71Å; D353-R388 IonicContact OD2-NH1 2.81Å; D353-R388 PolarHBondContact OD2-NH1 2.94Å; D353-R388 VanDerWaalsContact OD2-NH1 3.13Å; D353-R388 IonicContact OD2-NH2 2.7Å; D353-R388 PolarHBondContact OD2-NH2 2.91Å
354	D	91.1	Very high	93	Very high	72 Å²	72	31.7 Å²	31.7	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-49	175.1	176.2	42.8	0	0	0	111.8	R351 L352 I356 S357 T358	R351-D354 IonicContact CZ-OD2 3.77Å; R351-D354 IonicContact NH1-OD2 2.65Å; R351-D354 PolarHBondContact NH1-OD2 3.01Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.84Å; D354-I356 PolarHBondContact O-N 2.88Å; D354-S357 PolarHBondContact O-N 3.19Å; D354-S357 PolarHBondContact O-OG 2.85Å; D354-T358 WeakPolarHBondContact O-CB 3.38Å; D354-T358 WeakPolarHBondContact O-CG2 3.47Å; D354-T358 PolarHBondContact O-N 3.32Å; D354-T358 PolarHBondContact O-OG1 2.72Å
355	L	93.5	Very high	92.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-32.6	-178.3	-69.1	170.8	0	0	0	113.4	L325 M335 L338 R351 L352 T358 Q359 S360 L361	L325-L355 HydrophobicContact CB-CD1 4.2Å; L325-L355 HydrophobicContact CD1-CD1 3.69Å; L325-L355 HydrophobicContact CD2-CD1 3.79Å; L325-L355 HydrophobicContact CG-CD1 4.1Å; M335-L355 HydrophobicContact SD-CD2 3.7Å; L338-L355 HydrophobicContact CD1-CD1 4.24Å; L338-L355 HydrophobicContact CD1-CD2 4.43Å; R351-L355 HydrophobicContact CG-CD1 4.13Å; R351-L355 WeakPolarHBondContact O-CG 3.33Å; R351-L355 PolarHBondContact O-N 3.1Å; L352-L355 PolarHBondContact O-N 3.48Å; L355-T358 PolarHBondContact O-OG1 3.48Å; L355-Q359 PolarHBondContact O-N 3.42Å; L355-S360 WeakPolarHBondContact O-CB 3.4Å; L355-S360 PolarHBondContact O-N 3.15Å; L355-L361 HydrophobicContact CB-CB 4.05Å; L355-L361 PolarHBondContact O-N 3.05Å
356	I	93.7	Very high	92.2	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.046	20%	0.195	C	C	.	.	H	α-helix	trans	-71	-46.9	173.7	-67.4	165.2	0	0	0	110.3	L352 D353 D354 T358 Q359 L361 L363 I389	L352-I356 HydrophobicContact CD1-CD1 3.77Å; L352-I356 HydrophobicContact CD1-CG1 4.24Å; L352-I356 HydrophobicContact CD2-CD1 4.46Å; L352-I356 HydrophobicContact CG-CD1 3.7Å; L352-I356 WeakPolarHBondContact O-CG1 3.41Å; L352-I356 PolarHBondContact O-N 3.03Å; D353-I356 PolarHBondContact O-N 2.94Å; D354-I356 PolarHBondContact O-N 2.88Å; I356-T358 VanDerWaalsContact C-N 3.28Å; I356-T358 PolarHBondContact O-N 3.05Å; I356-Q359 PolarHBondContact O-N 3.11Å; I356-L361 HydrophobicContact CG1-CB 4.43Å; I356-L361 HydrophobicContact CG1-CD2 4.15Å; I356-L363 HydrophobicContact CD1-CD1 4.06Å; I356-L363 HydrophobicContact CD1-CD2 4.18Å; I356-L363 HydrophobicContact CD1-CG 4.43Å; I356-L363 HydrophobicContact CG1-CD1 4.46Å; I356-L363 HydrophobicContact CG1-CD2 4.4Å; I356-L363 HydrophobicContact CG1-CG 4.47Å; I356-L363 HydrophobicContact CG2-CD1 4.27Å; I356-I389 HydrophobicContact CD1-CD1 3.58Å; I356-I389 HydrophobicContact CD1-CG1 3.83Å; I356-I389 HydrophobicContact CD1-CG2 4.44Å
357	S	89.8	Confident	91.8	Very high	83 Å²	83	33.6 Å²	33.6	58%	0.58	20%	0.199	S	C	*	.	H	α-helix	trans	-63.3	-34	-177.8	68.1	0	0	0	0	112.9	D353 D354 Q359	D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.31Å; D353-S357 PolarHBondContact O-N 3.28Å; D353-S357 PolarHBondContact O-OG 3.01Å; D353-S357 VanDerWaalsContact O-OG 3.07Å; D354-S357 PolarHBondContact O-N 3.19Å; D354-S357 PolarHBondContact O-OG 2.85Å; S357-Q359 VanDerWaalsContact C-N 3.26Å; S357-Q359 PolarHBondContact O-N 3.23Å
358	T	90.2	Very high	91.7	Very high	76 Å²	76	33.6 Å²	33.6	47%	0.466	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.5	174.5	57.2	0	0	0	0	113.8	D354 L355 I356 S360	D354-T358 WeakPolarHBondContact O-CB 3.38Å; D354-T358 WeakPolarHBondContact O-CG2 3.47Å; D354-T358 PolarHBondContact O-N 3.32Å; D354-T358 PolarHBondContact O-OG1 2.72Å; L355-T358 PolarHBondContact O-OG1 3.48Å; I356-T358 VanDerWaalsContact C-N 3.28Å; I356-T358 PolarHBondContact O-N 3.05Å; T358-S360 PolarHBondContact O-N 3.01Å; T358-S360 VanDerWaalsContact O-N 3.12Å; T358-S360 PolarHBondContact OG1-OG 2.93Å
359	Q	88.7	Confident	91.8	Very high	148 Å²	148	33 Å²	33	69%	0.692	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	14.5	-173.3	-53.5	-174.2	2.2	0	0	114.7	N287 L355 I356 S357 L361 L362	N287-Q359 PolarHBondContact ND2-O 3.37Å; L355-Q359 PolarHBondContact O-N 3.42Å; I356-Q359 PolarHBondContact O-N 3.11Å; S357-Q359 VanDerWaalsContact C-N 3.26Å; S357-Q359 PolarHBondContact O-N 3.23Å; Q359-L361 VanDerWaalsContact C-N 3.25Å; Q359-L361 PolarHBondContact O-N 2.79Å; Q359-L362 HydrophobicContact CB-CD2 4.34Å
360	S	90.9	Very high	92	Very high	27 Å²	27	32.9 Å²	32.9	19%	0.189	20%	0.195	C	C	.	.	S	Bend	trans	-67.1	-30.7	173.8	-58.6	0	0	0	0	111.3	N287 L355 T358	N287-S360 WeakPolarHBondContact CB-O 3.41Å; N287-S360 PolarHBondContact ND2-O 3.18Å; L355-S360 WeakPolarHBondContact O-CB 3.4Å; L355-S360 PolarHBondContact O-N 3.15Å; T358-S360 PolarHBondContact O-N 3.01Å; T358-S360 VanDerWaalsContact O-N 3.12Å; T358-S360 PolarHBondContact OG1-OG 2.93Å
361	L	94.4	Very high	92.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-119	126.3	170.8	-173.6	75.5	0	0	0	109.6	P289 L325 L338 V345 L352 L355 I356 Q359	P289-L361 HydrophobicContact CG-CD1 4.17Å; L325-L361 HydrophobicContact CD1-CD1 4.5Å; L325-L361 HydrophobicContact CD1-CD2 4.12Å; L338-L361 HydrophobicContact CD2-CD1 3.65Å; V345-L361 HydrophobicContact CG2-CD1 4.06Å; L352-L361 HydrophobicContact CD1-CD2 3.46Å; L352-L361 VanDerWaalsContact CD1-CD2 3.46Å; L355-L361 HydrophobicContact CB-CB 4.05Å; L355-L361 PolarHBondContact O-N 3.05Å; I356-L361 HydrophobicContact CG1-CB 4.43Å; I356-L361 HydrophobicContact CG1-CD2 4.15Å; Q359-L361 VanDerWaalsContact C-N 3.25Å; Q359-L361 PolarHBondContact O-N 2.79Å
362	L	92.8	Very high	92.4	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.199	17%	0.165	C	C	.	.			trans	-103.6	144.8	178.1	-63.2	176.4	0	0	0	110.6	K285 N287 A288 P289 Q359	K285-L362 HydrophobicContact CD-CD1 3.38Å; N287-L362 PolarHBondContact O-N 2.95Å; A288-L362 WeakPolarHBondContact CA-O 3.23Å; A288-L362 HydrophobicContact CB-CB 4.03Å; P289-L362 WeakPolarHBondContact CD-O 3.46Å; Q359-L362 HydrophobicContact CB-CD2 4.34Å
363	L	91.8	Very high	92.1	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	17%	0.167	C	C	.	.			trans	-101.8	4.7	-179.3	-59.6	177.7	0	0	0	113.3	L292 I356 N365 C366 I389 Q392 I393 P394	L292-L363 HydrophobicContact CD2-CD2 3.86Å; I356-L363 HydrophobicContact CD1-CD1 4.06Å; I356-L363 HydrophobicContact CD1-CD2 4.18Å; I356-L363 HydrophobicContact CD1-CG 4.43Å; I356-L363 HydrophobicContact CG1-CD1 4.46Å; I356-L363 HydrophobicContact CG1-CD2 4.4Å; I356-L363 HydrophobicContact CG1-CG 4.47Å; I356-L363 HydrophobicContact CG2-CD1 4.27Å; L363-N365 PolarHBondContact O-N 3.21Å; L363-N365 VanDerWaalsContact O-N 3.1Å; L363-C366 WeakPolarHBondContact O-CB 3.41Å; L363-C366 PolarHBondContact O-N 3.25Å; L363-C366 VanDerWaalsContact O-N 3.1Å; L363-I389 HydrophobicContact CD1-CG2 3.86Å; L363-Q392 HydrophobicContact CD1-CB 3.85Å; L363-I393 HydrophobicContact CB-CG1 3.98Å; L363-I393 HydrophobicContact CD1-CG1 3.92Å; L363-I393 HydrophobicContact CG-CG1 4.37Å; L363-P394 VanDerWaalsContact O-CD 3.24Å; L363-P394 WeakPolarHBondContact O-CD 3.48Å
364	S	86.1	Confident	92.1	Very high	62 Å²	62	27.8 Å²	27.8	43%	0.434	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.7	-170.8	60.4	0	0	0	0	114.8
365	N	87.5	Confident	91.9	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.091	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-3.7	-178.8	-64.4	1.7	0	0	0	112.5	Y282 S284 A288 P289 L363 R367	Y282-N365 WeakPolarHBondContact OH-CB 3.45Å; Y282-N365 PolarHBondContact OH-ND2 3.26Å; S284-N365 PolarHBondContact OG-ND2 2.97Å; A288-N365 HydrophobicContact CB-CB 4.02Å; A288-N365 WeakPolarHBondContact CB-ND2 3.5Å; A288-N365 WeakPolarHBondContact O-CB 3.39Å; A288-N365 PolarHBondContact O-ND2 3.17Å; P289-N365 CarbonylContact O-C 3.57Å; L363-N365 PolarHBondContact O-N 3.21Å; L363-N365 VanDerWaalsContact O-N 3.1Å; N365-R367 PolarHBondContact O-N 3.24Å; N365-R367 VanDerWaalsContact O-N 3.1Å
366	C	91	Very high	91.5	Very high	1 Å²	1	25 Å²	25	1%	0.007	14%	0.143	C	C	.	.			trans	-66.3	116.1	-170.5	-172	0	0	0	0	109.9	P289 L363 F368 I393	P289-C366 VanDerWaalsContact O-CA 3.29Å; P289-C366 WeakPolarHBondContact O-CA 3.16Å; P289-C366 PolarHBondContact O-N 2.67Å; L363-C366 WeakPolarHBondContact O-CB 3.41Å; L363-C366 PolarHBondContact O-N 3.25Å; L363-C366 VanDerWaalsContact O-N 3.1Å; C366-F368 PolarHBondContact SG-O 3.38Å; C366-I393 HydrophobicContact CB-CG1 4.35Å; C366-I393 HydrophobicContact CB-CG2 3.8Å; C366-I393 WeakPolarHBondContact O-CG2 3.4Å
367	R	89.9	Confident	91.3	Very high	23 Å²	23	24.6 Å²	24.6	9%	0.087	14%	0.141	C	C	.	.			trans	-98	-33.8	176.7	178.2	178.7	176.3	118.9	0.5	111.7	L290 N365 T397 D399 N401 L403 Q404	L290-R367 WeakPolarHBondContact O-CA 2.98Å; L290-R367 WeakPolarHBondContact O-CB 3.31Å; L290-R367 PolarHBondContact O-N 3.09Å; N365-R367 PolarHBondContact O-N 3.24Å; N365-R367 VanDerWaalsContact O-N 3.1Å; R367-T397 HydrophobicContact CB-CG2 3.82Å; R367-T397 HydrophobicContact CG-CG2 4Å; R367-D399 IonicContact NH1-OD1 3.68Å; R367-D399 IonicContact NH1-OD2 2.69Å; R367-D399 PolarHBondContact NH1-OD2 3.23Å; R367-N401 PolarHBondContact NH1-ND2 2.83Å; R367-L403 WeakPolarHBondContact O-CD1 3.44Å; R367-Q404 PolarHBondContact O-N 2.74Å
368	F	95.4	Very high	91.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	179.7	-64.8	-84.9	0	0	0	110.9	I38 V62 I65 V66 L290 A291 L292 C366 Q404 I406	I38-F368 HydrophobicContact CG2-CE1 4.28Å; V62-F368 HydrophobicContact CG1-CB 4.36Å; V62-F368 HydrophobicContact CG1-CD2 4.1Å; V62-F368 HydrophobicContact CG1-CG 4.13Å; V62-F368 HydrophobicContact CG2-CB 4.45Å; V62-F368 HydrophobicContact CG2-CD1 3.76Å; V62-F368 HydrophobicContact CG2-CE1 4.05Å; V62-F368 HydrophobicContact CG2-CG 4.04Å; I65-F368 HydrophobicContact CB-CE2 3.87Å; I65-F368 HydrophobicContact CB-CZ 3.69Å; I65-F368 HydrophobicContact CD1-CE1 4.23Å; I65-F368 HydrophobicContact CD1-CZ 3.57Å; I65-F368 HydrophobicContact CG1-CZ 4.2Å; I65-F368 HydrophobicContact CG2-CE2 3.64Å; I65-F368 HydrophobicContact CG2-CZ 3.62Å; V66-F368 HydrophobicContact CG2-CD2 4.47Å; L290-F368 PolarHBondContact O-N 3.12Å; A291-F368 WeakPolarHBondContact CA-O 3.31Å; A291-F368 HydrophobicContact CB-CB 3.86Å; A291-F368 HydrophobicContact CB-CD2 4.28Å; A291-F368 HydrophobicContact CB-CG 4.5Å; L292-F368 PolarHBondContact N-O 2.86Å; C366-F368 PolarHBondContact SG-O 3.38Å; F368-Q404 WeakPolarHBondContact CA-O 3.45Å; F368-Q404 HydrophobicContact CD1-CB 3.95Å; F368-Q404 HydrophobicContact CD1-CG 4.35Å; F368-Q404 HydrophobicContact CE1-CB 4.09Å; F368-Q404 HydrophobicContact CE1-CG 4.29Å; F368-I406 HydrophobicContact CD1-CD1 4.1Å
369	F	97	Very high	91.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	105.5	170.5	-171.5	-147	0	0	0	110.3	L292 I294 L371 V386 I389 H390 I393 L403 Q404 M405 I406	L292-F369 HydrophobicContact CB-CD2 4.25Å; L292-F369 HydrophobicContact CD2-CD2 3.95Å; L292-F369 HydrophobicContact CD2-CE2 3.78Å; L292-F369 HydrophobicContact CG-CD2 4.09Å; L292-F369 HydrophobicContact CG-CE2 4.15Å; I294-F369 HydrophobicContact CD1-CE2 3.45Å; I294-F369 VanDerWaalsContact CD1-CE2 3.45Å; I294-F369 HydrophobicContact CD1-CZ 3.72Å; I294-F369 HydrophobicContact CG1-CE2 3.88Å; F369-L371 HydrophobicContact CE1-CD2 4.29Å; F369-L371 HydrophobicContact CE2-CD2 4.01Å; F369-L371 HydrophobicContact CZ-CD2 3.82Å; F369-V386 HydrophobicContact CE1-CG1 4.09Å; F369-V386 HydrophobicContact CZ-CG1 4.23Å; F369-I389 HydrophobicContact CE1-CG2 4.25Å; F369-I389 HydrophobicContact CE2-CG2 3.94Å; F369-I389 HydrophobicContact CZ-CB 4.22Å; F369-I389 HydrophobicContact CZ-CG2 3.64Å; F369-H390 HydrophobicContact CD1-CB 4.46Å; F369-H390 HydrophobicContact CE1-CB 4.09Å; F369-I393 HydrophobicContact CB-CD1 3.95Å; F369-I393 HydrophobicContact CD1-CD1 3.83Å; F369-I393 HydrophobicContact CD2-CD1 4.06Å; F369-I393 HydrophobicContact CE1-CD1 4.32Å; F369-I393 HydrophobicContact CG-CD1 3.69Å; F369-L403 HydrophobicContact CB-CD1 4.03Å; F369-Q404 PolarHBondContact N-O 3.06Å; F369-M405 HydrophobicContact CB-CG 4.44Å; F369-M405 HydrophobicContact CD1-CE 3.98Å; F369-M405 HydrophobicContact CE1-CE 4.45Å; F369-M405 WeakPolarHBondContact O-CA 3.18Å; F369-I406 PolarHBondContact O-N 2.98Å; F369-I406 VanDerWaalsContact O-N 3.1Å
370	V	97.9	Very high	90.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.7	-173.6	-171.8	0	0	0	0	110.1	F58 V62 L292 I293 I294 I406	F58-V370 HydrophobicContact CD2-CG1 3.79Å; F58-V370 HydrophobicContact CE2-CG1 3.91Å; F58-V370 HydrophobicContact CG-CG1 4.13Å; F58-V370 HydrophobicContact CZ-CG1 4.35Å; V62-V370 HydrophobicContact CG2-CG2 4.5Å; L292-V370 PolarHBondContact O-N 2.92Å; I293-V370 WeakPolarHBondContact CA-O 3.2Å; I293-V370 HydrophobicContact CB-CB 4.25Å; I293-V370 HydrophobicContact CG1-CB 3.86Å; I293-V370 HydrophobicContact CG1-CG1 4.48Å; I293-V370 HydrophobicContact CG1-CG2 3.98Å; I293-V370 HydrophobicContact CG2-CB 4.21Å; I293-V370 HydrophobicContact CG2-CG1 4.25Å; I294-V370 PolarHBondContact N-O 3.07Å; V370-I406 CarbonylContact C-O 3.56Å; V370-I406 VanDerWaalsContact CA-O 3.23Å; V370-I406 WeakPolarHBondContact CA-O 3.25Å; V370-I406 HydrophobicContact CG1-CB 4.16Å; V370-I406 HydrophobicContact CG1-CG2 4.37Å; V370-I406 HydrophobicContact CG2-CB 4.13Å; V370-I406 HydrophobicContact CG2-CD1 4.06Å
371	L	96.7	Very high	90.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	100.8	171.9	-53.7	177.8	0	0	0	107.7	I294 F369 C374 L377 V386 M405 I406 V407 C408 L420	I294-L371 HydrophobicContact CB-CD2 4.06Å; I294-L371 HydrophobicContact CD1-CD2 4.04Å; I294-L371 HydrophobicContact CG1-CD2 4.26Å; F369-L371 HydrophobicContact CE1-CD2 4.29Å; F369-L371 HydrophobicContact CE2-CD2 4.01Å; F369-L371 HydrophobicContact CZ-CD2 3.82Å; L371-C374 HydrophobicContact CB-CB 4.21Å; L371-L377 HydrophobicContact CB-CD1 4.17Å; L371-L377 HydrophobicContact CD2-CD1 4.27Å; L371-V386 HydrophobicContact CD1-CG1 3.59Å; L371-V386 HydrophobicContact CD2-CG1 4.02Å; L371-V386 HydrophobicContact CD2-CG2 4.12Å; L371-V386 HydrophobicContact CG-CG1 4.45Å; L371-M405 HydrophobicContact CD1-CE 4.35Å; L371-I406 PolarHBondContact N-O 2.95Å; L371-V407 HydrophobicContact CB-CG2 4.3Å; L371-V407 HydrophobicContact CD1-CG2 4.12Å; L371-V407 HydrophobicContact CG-CG2 4.41Å; L371-V407 WeakPolarHBondContact O-CA 3.33Å; L371-C408 PolarHBondContact O-N 2.85Å; L371-L420 HydrophobicContact CD1-CD1 4.41Å; L371-L420 HydrophobicContact CD1-CD2 3.78Å
372	D	93.9	Very high	90.5	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	13%	0.132	C	C	.	.	S	Bend	trans	-89.6	149.9	171.8	-161.7	5.2	0	0	0	109.7	F58 I294 E295 C374 C408	F58-D372 HydrophobicContact CE1-CB 4.28Å; F58-D372 WeakPolarHBondContact CE1-OD2 3.29Å; F58-D372 HydrophobicContact CZ-CB 4.34Å; I294-D372 PolarHBondContact O-N 3.03Å; I294-D372 VanDerWaalsContact O-N 3.12Å; E295-D372 WeakPolarHBondContact OE1-CB 3.14Å; D372-C374 VanDerWaalsContact C-N 3.28Å; D372-C374 PolarHBondContact O-N 2.8Å; D372-C408 VanDerWaalsContact OD1-CB 3.26Å; D372-C408 WeakPolarHBondContact OD1-CB 3.49Å
373	E	89.2	Confident	90.5	Very high	9 Å²	9	19.9 Å²	19.9	4%	0.042	13%	0.131	C	C	.	.	S	Bend	trans	45.4	52.5	-172.4	-62.2	-80.7	155.5	0	0	111.6	P296 L300 D375 G376 L377 C408	P296-E373 HydrophobicContact CG-CB 3.73Å; L300-E373 HydrophobicContact CD1-CB 4.39Å; L300-E373 HydrophobicContact CD1-CG 3.92Å; E373-D375 VanDerWaalsContact C-OD1 3.27Å; E373-D375 PolarHBondContact O-N 2.91Å; E373-G376 CarbonylContact O-C 3.54Å; E373-G376 VanDerWaalsContact O-CA 3.25Å; E373-G376 WeakPolarHBondContact O-CA 3.5Å; E373-G376 PolarHBondContact O-N 3.41Å; E373-L377 PolarHBondContact O-N 3.06Å; E373-C408 PolarHBondContact N-O 2.96Å; E373-C408 VanDerWaalsContact N-O 3.11Å
374	C	91.9	Very high	90.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-37	-169.9	-177.4	0	0	0	0	113.6	L371 D372 G376 L377 L378 V407 C408	L371-C374 HydrophobicContact CB-CB 4.21Å; D372-C374 VanDerWaalsContact C-N 3.28Å; D372-C374 PolarHBondContact O-N 2.8Å; C374-G376 PolarHBondContact O-N 2.9Å; C374-L377 WeakPolarHBondContact O-CB 3.43Å; C374-L377 PolarHBondContact O-N 3.47Å; C374-L377 VanDerWaalsContact O-N 3.15Å; C374-L378 VanDerWaalsContact O-CG 3.29Å; C374-L378 WeakPolarHBondContact O-CG 3.4Å; C374-L378 PolarHBondContact O-N 3.39Å; C374-V407 HydrophobicContact CB-CG1 3.58Å; C374-C408 WeakPolarHBondContact CB-O 3.48Å; C374-C408 PolarHBondContact N-O 3.5Å
375	D	87.4	Confident	90.8	Very high	16 Å²	16	23.4 Å²	23.4	9%	0.086	15%	0.145	C	C	.	.	H	α-helix	trans	-52.6	-42.4	166.6	43.6	16.5	0	0	0	112	E373 L378 S379 S409 A410 T411 V417 H605	E373-D375 VanDerWaalsContact C-OD1 3.27Å; E373-D375 PolarHBondContact O-N 2.91Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-S379 WeakPolarHBondContact O-CB 3.29Å; D375-S379 PolarHBondContact O-N 3.18Å; D375-S379 PolarHBondContact O-OG 3.36Å; D375-S409 WeakPolarHBondContact CB-OG 3.41Å; D375-S409 PolarHBondContact OD2-OG 3.46Å; D375-A410 PolarHBondContact OD2-N 3.4Å; D375-T411 WeakPolarHBondContact CB-OG1 3.2Å; D375-T411 PolarHBondContact OD2-N 3.49Å; D375-T411 VanDerWaalsContact OD2-N 3.16Å; D375-T411 PolarHBondContact OD2-OG1 2.86Å; D375-V417 HydrophobicContact CB-CG2 4.32Å; D375-H605 IonicContact OD2-CE1 3.47Å; D375-H605 IonicContact OD2-NE2 2.68Å
376	G	84.7	Confident	91.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-39.7	176.3	0	0	0	0	0	113.4	E373 C374 S379 A380 R581	E373-G376 CarbonylContact O-C 3.54Å; E373-G376 VanDerWaalsContact O-CA 3.25Å; E373-G376 WeakPolarHBondContact O-CA 3.5Å; E373-G376 PolarHBondContact O-N 3.41Å; C374-G376 PolarHBondContact O-N 2.9Å; G376-S379 WeakPolarHBondContact CA-OG 3.46Å; G376-S379 PolarHBondContact O-OG 2.69Å; G376-S379 VanDerWaalsContact O-OG 3.06Å; G376-A380 VanDerWaalsContact O-CB 3.29Å; G376-A380 WeakPolarHBondContact O-CB 3.32Å; G376-A380 PolarHBondContact O-N 3.4Å; G376-R581 VanDerWaalsContact CA-CZ 3.48Å; G376-R581 PolarHBondContact O-NH1 2.81Å
377	L	90.8	Very high	91.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-41.4	174.4	-70.7	169.9	0	0	0	112	I294 P296 P349 L371 E373 C374 G381 Y382	I294-L377 HydrophobicContact CB-CD1 4.31Å; I294-L377 HydrophobicContact CG2-CD1 3.9Å; I294-L377 HydrophobicContact CG2-CD2 3.73Å; P296-L377 HydrophobicContact CB-CD2 3.83Å; P296-L377 HydrophobicContact CB-CG 4.11Å; P349-L377 HydrophobicContact CG-CD2 3.52Å; L371-L377 HydrophobicContact CB-CD1 4.17Å; L371-L377 HydrophobicContact CD2-CD1 4.27Å; E373-L377 PolarHBondContact O-N 3.06Å; C374-L377 WeakPolarHBondContact O-CB 3.43Å; C374-L377 PolarHBondContact O-N 3.47Å; C374-L377 VanDerWaalsContact O-N 3.15Å; L377-G381 PolarHBondContact O-N 3.39Å; L377-Y382 HydrophobicContact CD2-CD2 4.31Å; L377-Y382 WeakPolarHBondContact O-CB 3.43Å; L377-Y382 PolarHBondContact O-N 3.36Å
378	L	91.4	Very high	91.4	Very high	31 Å²	31	27.4 Å²	27.4	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-71.6	-47.2	-177.7	-67.8	177.9	0	0	0	112.1	C374 D375 A380 G381 D416 V417 L420	C374-L378 VanDerWaalsContact O-CG 3.29Å; C374-L378 WeakPolarHBondContact O-CG 3.4Å; C374-L378 PolarHBondContact O-N 3.39Å; D375-L378 PolarHBondContact O-N 3.09Å; L378-A380 PolarHBondContact O-N 3.13Å; L378-G381 WeakPolarHBondContact O-CA 3.04Å; L378-G381 PolarHBondContact O-N 2.83Å; L378-D416 HydrophobicContact CD1-CB 3.92Å; L378-V417 HydrophobicContact CD1-CG2 3.85Å; L378-L420 HydrophobicContact CD1-CB 4.37Å; L378-L420 HydrophobicContact CD2-CD1 3.88Å
379	S	83.4	Confident	91.3	Very high	41 Å²	41	27.4 Å²	27.4	29%	0.287	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-31.6	174.1	51	0	0	0	0	112.9	D375 G376 G381 R581 E599	D375-S379 WeakPolarHBondContact O-CB 3.29Å; D375-S379 PolarHBondContact O-N 3.18Å; D375-S379 PolarHBondContact O-OG 3.36Å; G376-S379 WeakPolarHBondContact CA-OG 3.46Å; G376-S379 PolarHBondContact O-OG 2.69Å; G376-S379 VanDerWaalsContact O-OG 3.06Å; S379-G381 PolarHBondContact O-N 2.9Å; S379-R581 PolarHBondContact OG-NH1 3.37Å; S379-R581 PolarHBondContact OG-NH2 2.73Å; S379-E599 WeakPolarHBondContact CB-OE1 3.4Å; S379-E599 WeakPolarHBondContact CB-OE2 3.49Å
380	A	83	Confident	91.2	Very high	46 Å²	46	28.2 Å²	28.2	38%	0.38	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.8	173.9	0	0	0	0	0	114.1	G376 L378 Y382	G376-A380 VanDerWaalsContact O-CB 3.29Å; G376-A380 WeakPolarHBondContact O-CB 3.32Å; G376-A380 PolarHBondContact O-N 3.4Å; L378-A380 PolarHBondContact O-N 3.13Å; A380-Y382 HydrophobicContact CB-CD2 3.67Å; A380-Y382 HydrophobicContact CB-CE2 3.62Å
381	G	87.4	Confident	90.7	Very high	59 Å²	59	36.2 Å²	36.2	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	17.8	175.8	0	0	0	0	0	115.2	L377 L378 S379	L377-G381 PolarHBondContact O-N 3.39Å; L378-G381 WeakPolarHBondContact O-CA 3.04Å; L378-G381 PolarHBondContact O-N 2.83Å; S379-G381 PolarHBondContact O-N 2.9Å
382	Y	92.3	Very high	90.4	Very high	79 Å²	79	40.9 Å²	40.9	31%	0.31	22%	0.222	S	C	.	.			trans	-89.8	3.7	-177.6	-62.2	-62.8	0	0	0	114.9	P349 L377 A380 D384 M385 V386	P349-Y382 HydrophobicContact CB-CD1 3.52Å; P349-Y382 HydrophobicContact CB-CD2 3.92Å; P349-Y382 HydrophobicContact CB-CE1 3.59Å; P349-Y382 HydrophobicContact CB-CE2 3.96Å; P349-Y382 HydrophobicContact CB-CG 3.7Å; P349-Y382 HydrophobicContact CG-CD1 4.2Å; P349-Y382 HydrophobicContact CG-CD2 3.67Å; P349-Y382 HydrophobicContact CG-CE1 4.37Å; P349-Y382 HydrophobicContact CG-CE2 3.83Å; P349-Y382 HydrophobicContact CG-CG 3.86Å; L377-Y382 HydrophobicContact CD2-CD2 4.31Å; L377-Y382 WeakPolarHBondContact O-CB 3.43Å; L377-Y382 PolarHBondContact O-N 3.36Å; A380-Y382 HydrophobicContact CB-CD2 3.67Å; A380-Y382 HydrophobicContact CB-CE2 3.62Å; Y382-D384 VanDerWaalsContact C-N 3.33Å; Y382-D384 PolarHBondContact O-N 2.88Å; Y382-M385 HydrophobicContact CD1-SD 4.14Å; Y382-M385 WeakPolarHBondContact O-CB 3.21Å; Y382-M385 PolarHBondContact O-N 3.28Å; Y382-M385 VanDerWaalsContact O-N 3.1Å; Y382-V386 WeakPolarHBondContact O-CG2 3.32Å; Y382-V386 PolarHBondContact O-N 2.8Å
383	G	91.8	Very high	90.2	Very high	18 Å²	18	40.9 Å²	40.9	19%	0.186	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-39.3	-177.5	0	0	0	0	0	114.7	S387	G383-S387 PolarHBondContact O-N 2.91Å; G383-S387 PolarHBondContact O-OG 3.49Å; G383-S387 VanDerWaalsContact O-OG 3.12Å
384	D	91.3	Very high	89.9	Confident	134 Å²	134	42.8 Å²	42.8	72%	0.717	23%	0.234	S	C	*	.	H	α-helix	trans	-69.1	-39.2	176.4	-76.8	-25.5	0	0	0	112.2	Y382 S387 R388	Y382-D384 VanDerWaalsContact C-N 3.33Å; Y382-D384 PolarHBondContact O-N 2.88Å; D384-S387 PolarHBondContact O-N 3.42Å; D384-R388 WeakPolarHBondContact O-CB 3.48Å; D384-R388 PolarHBondContact O-N 3.36Å
385	M	93.7	Very high	89.2	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-47.4	175.6	-179.9	-168.1	154.4	0	0	110.7	P349 L352 D353 Y382 S387 R388 I389	P349-M385 HydrophobicContact CB-CE 4.02Å; P349-M385 HydrophobicContact CB-SD 3.64Å; P349-M385 WeakPolarHBondContact O-CE 3.46Å; L352-M385 HydrophobicContact CB-CE 4.12Å; L352-M385 HydrophobicContact CD2-CE 4.18Å; L352-M385 HydrophobicContact CG-CE 4.28Å; D353-M385 HydrophobicContact CB-CE 3.7Å; D353-M385 HydrophobicContact CB-CG 4.39Å; D353-M385 HydrophobicContact CB-SD 3.9Å; Y382-M385 HydrophobicContact CD1-SD 4.14Å; Y382-M385 WeakPolarHBondContact O-CB 3.21Å; Y382-M385 PolarHBondContact O-N 3.28Å; Y382-M385 VanDerWaalsContact O-N 3.1Å; M385-S387 VanDerWaalsContact C-N 3.31Å; M385-S387 PolarHBondContact O-N 3.07Å; M385-R388 WeakPolarHBondContact O-CB 3.47Å; M385-R388 PolarHBondContact O-N 2.82Å; M385-R388 VanDerWaalsContact O-N 3.09Å; M385-I389 HydrophobicContact CE-CD1 3.33Å; M385-I389 HydrophobicContact CE-CG1 4.49Å; M385-I389 HydrophobicContact CG-CD1 4.16Å; M385-I389 WeakPolarHBondContact O-CG1 3.26Å; M385-I389 PolarHBondContact O-N 3.17Å
386	V	95.2	Very high	88.3	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-45.5	176.2	171.6	0	0	0	0	110.8	F369 L371 Y382 R388 I389 H390 L420 L424	F369-V386 HydrophobicContact CE1-CG1 4.09Å; F369-V386 HydrophobicContact CZ-CG1 4.23Å; L371-V386 HydrophobicContact CD1-CG1 3.59Å; L371-V386 HydrophobicContact CD2-CG1 4.02Å; L371-V386 HydrophobicContact CD2-CG2 4.12Å; L371-V386 HydrophobicContact CG-CG1 4.45Å; Y382-V386 WeakPolarHBondContact O-CG2 3.32Å; Y382-V386 PolarHBondContact O-N 2.8Å; V386-R388 VanDerWaalsContact C-N 3.31Å; V386-R388 PolarHBondContact O-N 3.06Å; V386-I389 PolarHBondContact O-N 3Å; V386-H390 WeakPolarHBondContact O-CB 3.14Å; V386-H390 PolarHBondContact O-N 3.34Å; V386-L420 HydrophobicContact CG1-CD1 3.94Å; V386-L424 HydrophobicContact CG1-CD1 3.93Å
387	S	92.3	Very high	87.4	Confident	13 Å²	13	45.7 Å²	45.7	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-39.4	175.5	-68.3	0	0	0	0	112.3	G383 D384 M385 K391 K423	G383-S387 PolarHBondContact O-N 2.91Å; G383-S387 PolarHBondContact O-OG 3.49Å; G383-S387 VanDerWaalsContact O-OG 3.12Å; D384-S387 PolarHBondContact O-N 3.42Å; M385-S387 VanDerWaalsContact C-N 3.31Å; M385-S387 PolarHBondContact O-N 3.07Å; S387-K391 WeakPolarHBondContact O-CG 3.39Å; S387-K391 PolarHBondContact O-N 2.88Å; S387-K423 PolarHBondContact OG-NZ 2.89Å; S387-K423 VanDerWaalsContact OG-NZ 3.11Å
388	R	92.7	Very high	85.9	Confident	110 Å²	110	48.7 Å²	48.7	42%	0.415	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-47.5	178.3	-130.4	-166.3	-39.3	130.9	3.8	111.9	D353 D384 M385 V386 K391 Q392	D353-R388 VanDerWaalsContact CG-NH1 3.32Å; D353-R388 IonicContact OD1-CZ 2.8Å; D353-R388 IonicContact OD1-NH1 3.44Å; D353-R388 PolarHBondContact OD1-NH1 3.21Å; D353-R388 IonicContact OD1-NH2 3.6Å; D353-R388 PolarHBondContact OD1-NH2 3.16Å; D353-R388 IonicContact OD2-CZ 2.71Å; D353-R388 IonicContact OD2-NH1 2.81Å; D353-R388 PolarHBondContact OD2-NH1 2.94Å; D353-R388 VanDerWaalsContact OD2-NH1 3.13Å; D353-R388 IonicContact OD2-NH2 2.7Å; D353-R388 PolarHBondContact OD2-NH2 2.91Å; D384-R388 WeakPolarHBondContact O-CB 3.48Å; D384-R388 PolarHBondContact O-N 3.36Å; M385-R388 WeakPolarHBondContact O-CB 3.47Å; M385-R388 PolarHBondContact O-N 2.82Å; M385-R388 VanDerWaalsContact O-N 3.09Å; V386-R388 VanDerWaalsContact C-N 3.31Å; V386-R388 PolarHBondContact O-N 3.06Å; R388-K391 PolarHBondContact O-N 3.39Å; R388-Q392 PolarHBondContact O-N 3.04Å
389	I	94.2	Very high	84.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-48	177.8	-71.5	-179.1	0	0	0	109.7	L292 I294 L352 I356 L363 F369 M385 V386 K391 Q392 I393	L292-I389 HydrophobicContact CD2-CG2 4.08Å; I294-I389 HydrophobicContact CD1-CD1 4.33Å; L352-I389 HydrophobicContact CD2-CD1 3.83Å; L352-I389 HydrophobicContact CG-CD1 4.14Å; I356-I389 HydrophobicContact CD1-CD1 3.58Å; I356-I389 HydrophobicContact CD1-CG1 3.83Å; I356-I389 HydrophobicContact CD1-CG2 4.44Å; L363-I389 HydrophobicContact CD1-CG2 3.86Å; F369-I389 HydrophobicContact CE1-CG2 4.25Å; F369-I389 HydrophobicContact CE2-CG2 3.94Å; F369-I389 HydrophobicContact CZ-CB 4.22Å; F369-I389 HydrophobicContact CZ-CG2 3.64Å; M385-I389 HydrophobicContact CE-CD1 3.33Å; M385-I389 HydrophobicContact CE-CG1 4.49Å; M385-I389 HydrophobicContact CG-CD1 4.16Å; M385-I389 WeakPolarHBondContact O-CG1 3.26Å; M385-I389 PolarHBondContact O-N 3.17Å; V386-I389 PolarHBondContact O-N 3Å; I389-K391 VanDerWaalsContact C-N 3.25Å; I389-K391 PolarHBondContact O-N 2.89Å; I389-Q392 WeakPolarHBondContact O-CB 3.19Å; I389-Q392 PolarHBondContact O-N 2.93Å; I389-I393 HydrophobicContact CG2-CD1 4.03Å; I389-I393 HydrophobicContact CG2-CG1 4.46Å; I389-I393 WeakPolarHBondContact O-CG1 3.28Å; I389-I393 PolarHBondContact O-N 2.87Å
390	H	93.3	Very high	83.3	Confident	16 Å²	16	49.8 Å²	49.8	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-53.3	-44.6	177.2	-179.5	-103.2	0	0	0	111.5	F369 V386 Q392 I393 K395 M405 L424	F369-H390 HydrophobicContact CD1-CB 4.46Å; F369-H390 HydrophobicContact CE1-CB 4.09Å; V386-H390 WeakPolarHBondContact O-CB 3.14Å; V386-H390 PolarHBondContact O-N 3.34Å; H390-Q392 PolarHBondContact O-N 3.29Å; H390-I393 PolarHBondContact O-N 2.87Å; H390-K395 PolarHBondContact CD2-NZ 2.85Å; H390-K395 PolarHBondContact CE1-NZ 3.12Å; H390-K395 PolarHBondContact ND1-NZ 2.88Å; H390-K395 PolarHBondContact NE2-NZ 2.63Å; H390-K395 PolarHBondContact O-NZ 2.86Å; H390-M405 PolarHBondContact CD2-SD 2.66Å; H390-L424 HydrophobicContact CB-CD1 4.35Å; H390-L424 HydrophobicContact CB-CD2 4.29Å; H390-L424 PolarHBondContact CE1-O 2.61Å; H390-L424 PolarHBondContact NE2-O 3Å
391	K	89	Confident	82.7	Confident	169 Å²	169	51 Å²	51	74%	0.735	29%	0.285	S	S	*	.	H	α-helix	trans	-61.8	-26.6	177.7	-74.4	176.1	179.8	-174.9	0	114.2	S387 R388 I389	S387-K391 WeakPolarHBondContact O-CG 3.39Å; S387-K391 PolarHBondContact O-N 2.88Å; R388-K391 PolarHBondContact O-N 3.39Å; I389-K391 VanDerWaalsContact C-N 3.25Å; I389-K391 PolarHBondContact O-N 2.89Å
392	Q	89	Confident	82.3	Confident	98 Å²	98	50.2 Å²	50.2	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-86.3	-16.2	179.4	-66.2	176.2	37.2	0	0	113.2	L363 R388 I389 H390	L363-Q392 HydrophobicContact CD1-CB 3.85Å; R388-Q392 PolarHBondContact O-N 3.04Å; I389-Q392 WeakPolarHBondContact O-CB 3.19Å; I389-Q392 PolarHBondContact O-N 2.93Å; H390-Q392 PolarHBondContact O-N 3.29Å
393	I	90.6	Very high	82	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	25%	0.25	C	S	.	.	S	Bend	trans	-81.5	127.1	177.3	-59.4	166.7	0	0	0	109.7	L363 C366 F369 I389 H390 K395 L403	L363-I393 HydrophobicContact CB-CG1 3.98Å; L363-I393 HydrophobicContact CD1-CG1 3.92Å; L363-I393 HydrophobicContact CG-CG1 4.37Å; C366-I393 HydrophobicContact CB-CG1 4.35Å; C366-I393 HydrophobicContact CB-CG2 3.8Å; C366-I393 WeakPolarHBondContact O-CG2 3.4Å; F369-I393 HydrophobicContact CB-CD1 3.95Å; F369-I393 HydrophobicContact CD1-CD1 3.83Å; F369-I393 HydrophobicContact CD2-CD1 4.06Å; F369-I393 HydrophobicContact CE1-CD1 4.32Å; F369-I393 HydrophobicContact CG-CD1 3.69Å; I389-I393 HydrophobicContact CG2-CD1 4.03Å; I389-I393 HydrophobicContact CG2-CG1 4.46Å; I389-I393 WeakPolarHBondContact O-CG1 3.28Å; I389-I393 PolarHBondContact O-N 2.87Å; H390-I393 PolarHBondContact O-N 2.87Å; I393-K395 WeakPolarHBondContact O-CE 3.41Å; I393-K395 PolarHBondContact O-N 3.1Å; I393-K395 PolarHBondContact O-NZ 3.44Å; I393-L403 HydrophobicContact CB-CD2 3.95Å; I393-L403 HydrophobicContact CD1-CD2 4.4Å; I393-L403 HydrophobicContact CG2-CD1 3.59Å; I393-L403 HydrophobicContact CG2-CD2 3.62Å; I393-L403 HydrophobicContact CG2-CG 4.11Å
394	P	82	Confident	82	Confident	48 Å²	48	45.9 Å²	45.9	31%	0.312	24%	0.242	S	C	.	.			trans	-55	135.7	173.1	-25.9	36.3	0	0	0	112.4	L363 A396	L363-P394 VanDerWaalsContact O-CD 3.24Å; L363-P394 WeakPolarHBondContact O-CD 3.48Å; P394-A396 VanDerWaalsContact C-N 3.34Å
395	K	77.2	Confident	82.2	Confident	25 Å²	25	39.5 Å²	39.5	11%	0.109	21%	0.208	C	C	.	.	S	Bend	trans	-84.5	-12.5	-178.5	-55.3	-62.6	165.8	-149.5	0	113.8	R99 D101 H390 I393 R402 L403	R99-K395 PolarHBondContact NH2-O 2.93Å; D101-K395 HydrophobicContact CB-CG 4.43Å; D101-K395 WeakPolarHBondContact O-CG 3.42Å; H390-K395 PolarHBondContact CD2-NZ 2.85Å; H390-K395 PolarHBondContact CE1-NZ 3.12Å; H390-K395 PolarHBondContact ND1-NZ 2.88Å; H390-K395 PolarHBondContact NE2-NZ 2.63Å; H390-K395 PolarHBondContact O-NZ 2.86Å; I393-K395 WeakPolarHBondContact O-CE 3.41Å; I393-K395 PolarHBondContact O-N 3.1Å; I393-K395 PolarHBondContact O-NZ 3.44Å; K395-R402 WeakPolarHBondContact O-CA 3.44Å; K395-L403 HydrophobicContact CD-CD2 4.26Å; K395-L403 VanDerWaalsContact NZ-CD2 3.31Å; K395-L403 PolarHBondContact O-N 3.47Å
396	A	68.4	Low	82.3	Confident	34 Å²	34	39 Å²	39	28%	0.281	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-125.2	133.1	167.8	0	0	0	0	0	108	P394 N401	P394-A396 VanDerWaalsContact C-N 3.34Å; A396-N401 CarbonylContact C-O 3.57Å; A396-N401 VanDerWaalsContact CA-O 3.3Å; A396-N401 WeakPolarHBondContact CA-O 3.36Å
397	T	66.3	Low	82.4	Confident	19 Å²	19	38.8 Å²	38.8	12%	0.117	20%	0.204	C	C	.	.			trans	-82.9	165.7	172.3	53.5	0	0	0	0	109.9	R367 D399 G400 N401	R367-T397 HydrophobicContact CB-CG2 3.82Å; R367-T397 HydrophobicContact CG-CG2 4Å; T397-D399 WeakPolarHBondContact CB-OD1 3.39Å; T397-D399 PolarHBondContact O-N 3.37Å; T397-D399 VanDerWaalsContact O-N 3.15Å; T397-D399 PolarHBondContact OG1-OD1 2.97Å; T397-G400 PolarHBondContact O-N 2.79Å; T397-N401 PolarHBondContact N-O 3.01Å; T397-N401 WeakPolarHBondContact OG1-CB 3.48Å; T397-N401 PolarHBondContact OG1-N 3.43Å; T397-N401 PolarHBondContact OG1-O 3.31Å
398	A	59.9	Low	82.4	Confident	65 Å²	65	38.2 Å²	38.2	54%	0.537	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.1	-175.2	0	0	0	0	0	114.1	Y282 G400	Y282-A398 HydrophobicContact CD2-CB 3.57Å; Y282-A398 HydrophobicContact CE2-CB 3.78Å; A398-G400 VanDerWaalsContact C-N 3.34Å
399	D	59.5	Low	82.2	Confident	81 Å²	81	33 Å²	33	43%	0.433	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.6	175.2	63.5	-31.5	0	0	0	113.4	R367 T397 N401	R367-D399 IonicContact NH1-OD1 3.68Å; R367-D399 IonicContact NH1-OD2 2.69Å; R367-D399 PolarHBondContact NH1-OD2 3.23Å; T397-D399 WeakPolarHBondContact CB-OD1 3.39Å; T397-D399 PolarHBondContact O-N 3.37Å; T397-D399 VanDerWaalsContact O-N 3.15Å; T397-D399 PolarHBondContact OG1-OD1 2.97Å; D399-N401 VanDerWaalsContact C-N 3.29Å; D399-N401 PolarHBondContact O-N 3.44Å; D399-N401 PolarHBondContact OD2-ND2 3.4Å
400	G	61.3	Low	81.3	Confident	13 Å²	13	33.2 Å²	33.2	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	84.2	-2.6	176.4	0	0	0	0	0	115.9	Y97 T397 A398	Y97-G400 VanDerWaalsContact CE1-CA 3.43Å; Y97-G400 VanDerWaalsContact CZ-CA 3.47Å; Y97-G400 WeakPolarHBondContact OH-CA 3.48Å; Y97-G400 PolarHBondContact OH-N 3.1Å; T397-G400 PolarHBondContact O-N 2.79Å; A398-G400 VanDerWaalsContact C-N 3.34Å
401	N	70.2	Confident	80.5	Confident	71 Å²	71	32.8 Å²	32.8	38%	0.38	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-73.1	164.6	170.5	-72.1	-56	0	0	0	110.1	R367 A396 T397 D399	R367-N401 PolarHBondContact NH1-ND2 2.83Å; A396-N401 CarbonylContact C-O 3.57Å; A396-N401 VanDerWaalsContact CA-O 3.3Å; A396-N401 WeakPolarHBondContact CA-O 3.36Å; T397-N401 PolarHBondContact N-O 3.01Å; T397-N401 WeakPolarHBondContact OG1-CB 3.48Å; T397-N401 PolarHBondContact OG1-N 3.43Å; T397-N401 PolarHBondContact OG1-O 3.31Å; D399-N401 VanDerWaalsContact C-N 3.29Å; D399-N401 PolarHBondContact O-N 3.44Å; D399-N401 PolarHBondContact OD2-ND2 3.4Å
402	R	77.5	Confident	80	Confident	43 Å²	43	24.8 Å²	24.8	16%	0.162	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-96.9	162.6	179.9	108.9	-174	-170.9	-109.3	11	110.4	G41 D43 K395 Q404 H426	G41-R402 PolarHBondContact O-NH1 3.42Å; D43-R402 VanDerWaalsContact CB-NH2 3.35Å; D43-R402 IonicContact OD1-CZ 3.2Å; D43-R402 IonicContact OD1-NE 3.93Å; D43-R402 IonicContact OD1-NH2 2.62Å; D43-R402 PolarHBondContact OD1-NH2 2.95Å; D43-R402 IonicContact OD2-CZ 3.62Å; D43-R402 IonicContact OD2-NH2 2.76Å; D43-R402 PolarHBondContact OD2-NH2 3.05Å; K395-R402 WeakPolarHBondContact O-CA 3.44Å; R402-Q404 PolarHBondContact O-N 2.89Å; R402-H426 PolarHBondContact NH2-O 3.01Å
403	L	87.7	Confident	79.4	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.021	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-60.2	118.9	163.8	175.3	64	0	0	0	110.5	R367 F369 I393 K395	R367-L403 WeakPolarHBondContact O-CD1 3.44Å; F369-L403 HydrophobicContact CB-CD1 4.03Å; I393-L403 HydrophobicContact CB-CD2 3.95Å; I393-L403 HydrophobicContact CD1-CD2 4.4Å; I393-L403 HydrophobicContact CG2-CD1 3.59Å; I393-L403 HydrophobicContact CG2-CD2 3.62Å; I393-L403 HydrophobicContact CG2-CG 4.11Å; K395-L403 HydrophobicContact CD-CD2 4.26Å; K395-L403 VanDerWaalsContact NZ-CD2 3.31Å; K395-L403 PolarHBondContact O-N 3.47Å
404	Q	91.2	Very high	78.9	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.8	174.9	-166.2	171.9	0.7	0	0	109.9	I38 G42 D43 R367 F368 F369 R402	I38-Q404 VanDerWaalsContact CA-NE2 3.34Å; I38-Q404 PolarHBondContact O-NE2 3.02Å; G42-Q404 WeakPolarHBondContact O-CG 3.24Å; G42-Q404 PolarHBondContact O-NE2 2.99Å; D43-Q404 WeakPolarHBondContact OD1-CA 3.42Å; R367-Q404 PolarHBondContact O-N 2.74Å; F368-Q404 WeakPolarHBondContact CA-O 3.45Å; F368-Q404 HydrophobicContact CD1-CB 3.95Å; F368-Q404 HydrophobicContact CD1-CG 4.35Å; F368-Q404 HydrophobicContact CE1-CB 4.09Å; F368-Q404 HydrophobicContact CE1-CG 4.29Å; F369-Q404 PolarHBondContact N-O 3.06Å; R402-Q404 PolarHBondContact O-N 2.89Å
405	M	95	Very high	79	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132	173.4	-70	-165.5	66.6	0	0	110.7	D43 V44 F369 L371 H390 V407 L424 M425	D43-M405 VanDerWaalsContact CA-O 3.3Å; D43-M405 WeakPolarHBondContact CA-O 3.38Å; D43-M405 WeakPolarHBondContact CB-O 3.4Å; D43-M405 PolarHBondContact OD1-N 2.9Å; V44-M405 PolarHBondContact N-O 3.39Å; V44-M405 VanDerWaalsContact N-O 3.11Å; F369-M405 HydrophobicContact CB-CG 4.44Å; F369-M405 HydrophobicContact CD1-CE 3.98Å; F369-M405 HydrophobicContact CE1-CE 4.45Å; F369-M405 WeakPolarHBondContact O-CA 3.18Å; L371-M405 HydrophobicContact CD1-CE 4.35Å; H390-M405 PolarHBondContact CD2-SD 2.66Å; M405-V407 HydrophobicContact CE-CG2 4.45Å; M405-L424 HydrophobicContact CE-CB 3.81Å; M405-L424 HydrophobicContact CE-CD1 4.14Å; M405-L424 HydrophobicContact SD-CB 3.59Å; M405-L424 VanDerWaalsContact SD-CB 3.59Å; M405-L424 VanDerWaalsContact SD-O 3.39Å; M405-M425 HydrophobicContact CB-CE 4.23Å; M405-M425 HydrophobicContact CB-CG 3.91Å; M405-M425 HydrophobicContact CE-CG 4.25Å; M405-M425 HydrophobicContact SD-CG 4.03Å
406	I	96.9	Very high	79.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	174.4	-55.6	161.4	0	0	0	107.1	I38 V44 M46 F58 V62 F368 F369 V370 L371	I38-I406 HydrophobicContact CD1-CD1 3.92Å; I38-I406 HydrophobicContact CD1-CG1 4.27Å; I38-I406 HydrophobicContact CD1-CG2 4.2Å; I38-I406 HydrophobicContact CG1-CD1 4.11Å; I38-I406 HydrophobicContact CG1-CG1 4.27Å; I38-I406 HydrophobicContact CG2-CD1 3.72Å; V44-I406 CarbonylContact O-C 3.58Å; V44-I406 WeakPolarHBondContact O-CA 3.43Å; M46-I406 HydrophobicContact CE-CG2 4.33Å; F58-I406 HydrophobicContact CB-CD1 4.37Å; F58-I406 HydrophobicContact CB-CG2 3.81Å; V62-I406 HydrophobicContact CG2-CD1 3.54Å; F368-I406 HydrophobicContact CD1-CD1 4.1Å; F369-I406 PolarHBondContact O-N 2.98Å; F369-I406 VanDerWaalsContact O-N 3.1Å; V370-I406 CarbonylContact C-O 3.56Å; V370-I406 VanDerWaalsContact CA-O 3.23Å; V370-I406 WeakPolarHBondContact CA-O 3.25Å; V370-I406 HydrophobicContact CG1-CB 4.16Å; V370-I406 HydrophobicContact CG1-CG2 4.37Å; V370-I406 HydrophobicContact CG2-CB 4.13Å; V370-I406 HydrophobicContact CG2-CD1 4.06Å; L371-I406 PolarHBondContact N-O 2.95Å
407	V	95.8	Very high	80.4	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.9	-176.7	177.8	0	0	0	0	108.5	V44 L45 M46 L371 C374 M405 L420 M425	V44-V407 PolarHBondContact O-N 2.96Å; L45-V407 CarbonylContact C-O 3.32Å; L45-V407 WeakPolarHBondContact CA-O 3.45Å; L45-V407 HydrophobicContact CD1-CB 3.48Å; L45-V407 VanDerWaalsContact CD1-CB 3.48Å; L45-V407 HydrophobicContact CD1-CG1 3.41Å; L45-V407 VanDerWaalsContact CD1-CG1 3.41Å; M46-V407 PolarHBondContact N-O 3.13Å; L371-V407 HydrophobicContact CB-CG2 4.3Å; L371-V407 HydrophobicContact CD1-CG2 4.12Å; L371-V407 HydrophobicContact CG-CG2 4.41Å; L371-V407 WeakPolarHBondContact O-CA 3.33Å; C374-V407 HydrophobicContact CB-CG1 3.58Å; M405-V407 HydrophobicContact CE-CG2 4.45Å; V407-L420 HydrophobicContact CG2-CD2 4.37Å; V407-M425 HydrophobicContact CB-CE 4.19Å; V407-M425 HydrophobicContact CB-SD 4.1Å; V407-M425 HydrophobicContact CG2-CE 3.89Å; V407-M425 HydrophobicContact CG2-SD 3.58Å; V407-M425 VanDerWaalsContact CG2-SD 3.58Å
408	C	93.2	Very high	81.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.8	179.1	-38	0	0	0	0	108.1	M46 K54 L371 D372 E373 C374	M46-C408 HydrophobicContact CE-CB 4.22Å; M46-C408 WeakPolarHBondContact CE-SG 3.4Å; M46-C408 HydrophobicContact CG-CB 4.27Å; M46-C408 WeakPolarHBondContact O-CA 3.12Å; K54-C408 HydrophobicContact CD-CB 4.48Å; L371-C408 PolarHBondContact O-N 2.85Å; D372-C408 VanDerWaalsContact OD1-CB 3.26Å; D372-C408 WeakPolarHBondContact OD1-CB 3.49Å; E373-C408 PolarHBondContact N-O 2.96Å; E373-C408 VanDerWaalsContact N-O 3.11Å; C374-C408 WeakPolarHBondContact CB-O 3.48Å; C374-C408 PolarHBondContact N-O 3.5Å
409	S	87.7	Confident	82.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.1	177	161.8	0	0	0	0	109.6	M46 A47 D375 T411	M46-S409 PolarHBondContact O-N 2.96Å; M46-S409 VanDerWaalsContact O-N 3.1Å; A47-S409 VanDerWaalsContact CA-O 3.27Å; A47-S409 WeakPolarHBondContact CA-O 3.28Å; D375-S409 WeakPolarHBondContact CB-OG 3.41Å; D375-S409 PolarHBondContact OD2-OG 3.46Å; S409-T411 VanDerWaalsContact C-N 3.26Å; S409-T411 PolarHBondContact OG-N 3.45Å
410	A	76.8	Confident	84.4	Confident	6 Å²	6	32 Å²	32	5%	0.05	15%	0.154	C	C	.	.	S	Bend	trans	-78.2	-15.4	172.2	0	0	0	0	0	112.3	D375 K434 H605	D375-A410 PolarHBondContact OD2-N 3.4Å; A410-K434 VanDerWaalsContact O-CD 3.23Å; A410-K434 WeakPolarHBondContact O-CD 3.09Å; A410-K434 PolarHBondContact O-NZ 2.86Å; A410-H605 WeakPolarHBondContact CB-CE1 3.34Å
411	T	76.6	Confident	85.7	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.037	15%	0.148	C	C	.	.			trans	-131	66.7	-174.9	70.5	0	0	0	0	112.2	D375 S409 H413 S414 D437 Q601	D375-T411 WeakPolarHBondContact CB-OG1 3.2Å; D375-T411 PolarHBondContact OD2-N 3.49Å; D375-T411 VanDerWaalsContact OD2-N 3.16Å; D375-T411 PolarHBondContact OD2-OG1 2.86Å; S409-T411 VanDerWaalsContact C-N 3.26Å; S409-T411 PolarHBondContact OG-N 3.45Å; T411-H413 PolarHBondContact O-N 3.07Å; T411-H413 VanDerWaalsContact O-N 3.1Å; T411-S414 WeakPolarHBondContact O-CB 3.25Å; T411-S414 PolarHBondContact O-N 3.12Å; T411-S414 PolarHBondContact O-OG 2.86Å; T411-D437 WeakPolarHBondContact CG2-OD1 3.25Å; T411-D437 WeakPolarHBondContact CG2-OD2 3.29Å; T411-Q601 HydrophobicContact CG2-CB 4.16Å; T411-Q601 HydrophobicContact CG2-CG 4.12Å
412	L	78.1	Confident	86.4	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.2	176.3	-76.2	-168	0	0	0	113.6	L45 A47 S414 V417 K418 W430 D432	L45-L412 HydrophobicContact CD1-CD2 3.31Å; L45-L412 HydrophobicContact CD2-CD1 4.35Å; L45-L412 HydrophobicContact CD2-CD2 3.93Å; L45-L412 HydrophobicContact CG-CD1 3.89Å; L45-L412 HydrophobicContact CG-CD2 3.34Å; L45-L412 HydrophobicContact CG-CG 4.21Å; A47-L412 HydrophobicContact CB-CB 4.05Å; A47-L412 HydrophobicContact CB-CD1 3.61Å; A47-L412 HydrophobicContact CB-CG 3.42Å; A47-L412 VanDerWaalsContact CB-CG 3.42Å; L412-S414 VanDerWaalsContact C-N 3.29Å; L412-S414 PolarHBondContact O-N 3.06Å; L412-V417 HydrophobicContact CD2-CG1 3.92Å; L412-K418 WeakPolarHBondContact O-CG 3.37Å; L412-W430 HydrophobicContact CB-CZ3 4.35Å; L412-W430 HydrophobicContact CD1-CE3 4.28Å; L412-D432 HydrophobicContact CD1-CB 4.44Å
413	H	76	Confident	86.8	Confident	70 Å²	70	36.4 Å²	36.4	32%	0.324	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.2	-179.6	-66.1	-65.9	0	0	0	114.8	T411 M415 K418 D432 G435	T411-H413 PolarHBondContact O-N 3.07Å; T411-H413 VanDerWaalsContact O-N 3.1Å; H413-M415 PolarHBondContact O-N 3.18Å; H413-K418 VanDerWaalsContact CA-CE 3.42Å; H413-K418 PolarHBondContact ND1-NZ 2.93Å; H413-K418 VanDerWaalsContact ND1-NZ 3.17Å; H413-K418 WeakPolarHBondContact O-CE 3.22Å; H413-D432 IonicContact CD2-OD2 2.83Å; H413-D432 IonicContact CE1-OD2 3.98Å; H413-D432 IonicContact NE2-OD2 2.61Å; H413-D432 PolarHBondContact NE2-OD2 2.97Å; H413-G435 PolarHBondContact CD2-O 3.01Å
414	S	80.3	Confident	86.9	Confident	21 Å²	21	36.6 Å²	36.6	15%	0.147	17%	0.173	C	C	.	.	S	Bend	trans	-61.1	136.5	174.8	67.7	0	0	0	0	110.6	T411 L412 D416 V417 K418	T411-S414 WeakPolarHBondContact O-CB 3.25Å; T411-S414 PolarHBondContact O-N 3.12Å; T411-S414 PolarHBondContact O-OG 2.86Å; L412-S414 VanDerWaalsContact C-N 3.29Å; L412-S414 PolarHBondContact O-N 3.06Å; S414-D416 PolarHBondContact O-N 2.91Å; S414-D416 VanDerWaalsContact O-N 3.16Å; S414-V417 PolarHBondContact O-N 2.81Å; S414-V417 VanDerWaalsContact OG-CB 3.3Å; S414-V417 WeakPolarHBondContact OG-CB 3.45Å; S414-V417 WeakPolarHBondContact OG-CG2 3.23Å; S414-V417 PolarHBondContact OG-N 2.93Å; S414-K418 WeakPolarHBondContact O-CG 3.48Å; S414-K418 PolarHBondContact O-N 2.79Å
415	M	82.8	Confident	86.8	Confident	116 Å²	116	36.6 Å²	36.6	57%	0.571	17%	0.173	S	C	*	.	H	α-helix	trans	-54.6	-37.4	-177.5	-80.1	-69.1	-69.4	0	0	112.5	H413 R419	H413-M415 PolarHBondContact O-N 3.18Å; M415-R419 WeakPolarHBondContact O-CB 3.33Å; M415-R419 WeakPolarHBondContact O-CG 3.49Å; M415-R419 PolarHBondContact O-N 3.25Å
416	D	87.3	Confident	86.2	Confident	89 Å²	89	37.3 Å²	37.3	48%	0.476	18%	0.177	S	C	.	.	H	α-helix	trans	-74.2	-38.1	-177	-62.3	-39.5	0	0	0	112.6	L378 S414 R419 L420	L378-D416 HydrophobicContact CD1-CB 3.92Å; S414-D416 PolarHBondContact O-N 2.91Å; S414-D416 VanDerWaalsContact O-N 3.16Å; D416-R419 PolarHBondContact O-N 2.68Å; D416-R419 IonicContact OD1-NH1 3.08Å; D416-R419 PolarHBondContact OD1-NH1 3.23Å; D416-L420 WeakPolarHBondContact O-CB 3.38Å; D416-L420 PolarHBondContact O-N 3.37Å
417	V	89.3	Confident	85.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-44.3	172.7	174.7	0	0	0	0	110.4	L45 D375 L378 L412 S414 R419 L420 A421	L45-V417 HydrophobicContact CD1-CG1 4.14Å; D375-V417 HydrophobicContact CB-CG2 4.32Å; L378-V417 HydrophobicContact CD1-CG2 3.85Å; L412-V417 HydrophobicContact CD2-CG1 3.92Å; S414-V417 PolarHBondContact O-N 2.81Å; S414-V417 VanDerWaalsContact OG-CB 3.3Å; S414-V417 WeakPolarHBondContact OG-CB 3.45Å; S414-V417 WeakPolarHBondContact OG-CG2 3.23Å; S414-V417 PolarHBondContact OG-N 2.93Å; V417-R419 VanDerWaalsContact C-N 3.35Å; V417-R419 PolarHBondContact O-N 3.21Å; V417-L420 PolarHBondContact O-N 3.01Å; V417-A421 WeakPolarHBondContact O-CB 3.08Å; V417-A421 PolarHBondContact O-N 3.36Å
418	K	87.3	Confident	85.2	Confident	68 Å²	68	41.1 Å²	41.1	30%	0.296	20%	0.197	S	C	.	.	H	α-helix	trans	-58.9	-45.5	175.6	-62.7	-157.2	-176.9	-175.9	0	112	L412 H413 S414 L420 A421 N422 W430	L412-K418 WeakPolarHBondContact O-CG 3.37Å; H413-K418 VanDerWaalsContact CA-CE 3.42Å; H413-K418 PolarHBondContact ND1-NZ 2.93Å; H413-K418 VanDerWaalsContact ND1-NZ 3.17Å; H413-K418 WeakPolarHBondContact O-CE 3.22Å; S414-K418 WeakPolarHBondContact O-CG 3.48Å; S414-K418 PolarHBondContact O-N 2.79Å; K418-L420 VanDerWaalsContact C-N 3.34Å; K418-L420 PolarHBondContact O-N 3.23Å; K418-A421 PolarHBondContact O-N 3.3Å; K418-N422 WeakPolarHBondContact O-CB 3.4Å; K418-N422 VanDerWaalsContact O-CG 3.24Å; K418-N422 PolarHBondContact O-N 3.18Å; K418-N422 PolarHBondContact O-ND2 3.3Å; K418-W430 HydrophobicContact CD-CH2 4.03Å; K418-W430 HydrophobicContact CG-CH2 3.93Å
419	R	89.2	Confident	84.9	Confident	151 Å²	151	44 Å²	44	57%	0.57	21%	0.214	S	C	*	.	H	α-helix	trans	-61.5	-42.3	177	-77.8	170.4	-179	167.7	-1.8	111.7	M415 D416 V417 K423	M415-R419 WeakPolarHBondContact O-CB 3.33Å; M415-R419 WeakPolarHBondContact O-CG 3.49Å; M415-R419 PolarHBondContact O-N 3.25Å; D416-R419 PolarHBondContact O-N 2.68Å; D416-R419 IonicContact OD1-NH1 3.08Å; D416-R419 PolarHBondContact OD1-NH1 3.23Å; V417-R419 VanDerWaalsContact C-N 3.35Å; V417-R419 PolarHBondContact O-N 3.21Å; R419-K423 WeakPolarHBondContact O-CB 3.48Å; R419-K423 PolarHBondContact O-N 2.92Å; R419-K423 VanDerWaalsContact O-N 3.09Å
420	L	91.8	Very high	85	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-47.8	177.8	-178.1	130.3	0	0	0	111.4	L371 L378 V386 V407 D416 V417 K418 K423 L424	L371-L420 HydrophobicContact CD1-CD1 4.41Å; L371-L420 HydrophobicContact CD1-CD2 3.78Å; L378-L420 HydrophobicContact CD1-CB 4.37Å; L378-L420 HydrophobicContact CD2-CD1 3.88Å; V386-L420 HydrophobicContact CG1-CD1 3.94Å; V407-L420 HydrophobicContact CG2-CD2 4.37Å; D416-L420 WeakPolarHBondContact O-CB 3.38Å; D416-L420 PolarHBondContact O-N 3.37Å; V417-L420 PolarHBondContact O-N 3.01Å; K418-L420 VanDerWaalsContact C-N 3.34Å; K418-L420 PolarHBondContact O-N 3.23Å; L420-K423 PolarHBondContact O-N 3.2Å; L420-L424 HydrophobicContact CD1-CD1 3.96Å; L420-L424 HydrophobicContact CD2-CD1 4.31Å; L420-L424 HydrophobicContact CG-CD1 3.82Å; L420-L424 HydrophobicContact CG-CG 4.37Å; L420-L424 PolarHBondContact O-N 2.87Å
421	A	89.4	Confident	85.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-50.5	177.6	0	0	0	0	0	111.5	L45 V417 K418 K423 L424 M425	L45-A421 HydrophobicContact CD1-CB 4.39Å; L45-A421 HydrophobicContact CD2-CB 3.79Å; V417-A421 WeakPolarHBondContact O-CB 3.08Å; V417-A421 PolarHBondContact O-N 3.36Å; K418-A421 PolarHBondContact O-N 3.3Å; A421-K423 PolarHBondContact O-N 3.25Å; A421-L424 PolarHBondContact O-N 3.26Å; A421-M425 HydrophobicContact CB-SD 3.81Å; A421-M425 VanDerWaalsContact O-CB 3.31Å; A421-M425 WeakPolarHBondContact O-CB 3.16Å; A421-M425 PolarHBondContact O-N 2.75Å
422	N	85.6	Confident	86	Confident	98 Å²	98	51 Å²	51	52%	0.524	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-32.2	178.8	-71.9	-14.4	0	0	0	113.1	R115 K418	R115-N422 VanDerWaalsContact CB-O 3.26Å; R115-N422 WeakPolarHBondContact CB-O 3.46Å; K418-N422 WeakPolarHBondContact O-CB 3.4Å; K418-N422 VanDerWaalsContact O-CG 3.24Å; K418-N422 PolarHBondContact O-N 3.18Å; K418-N422 PolarHBondContact O-ND2 3.3Å
423	K	86	Confident	86.1	Confident	121 Å²	121	55 Å²	55	53%	0.526	26%	0.264	S	S	.	.	H	α-helix	trans	-82.4	-37.8	-176.8	-176	-173.9	178.8	-171.4	0	113	S387 R419 L420 A421	S387-K423 PolarHBondContact OG-NZ 2.89Å; S387-K423 VanDerWaalsContact OG-NZ 3.11Å; R419-K423 WeakPolarHBondContact O-CB 3.48Å; R419-K423 PolarHBondContact O-N 2.92Å; R419-K423 VanDerWaalsContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3.2Å; A421-K423 PolarHBondContact O-N 3.25Å
424	L	88.7	Confident	85.8	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-109	-32.7	-167.9	-54.2	-175.2	0	0	0	113.4	V386 H390 M405 L420 A421	V386-L424 HydrophobicContact CG1-CD1 3.93Å; H390-L424 HydrophobicContact CB-CD1 4.35Å; H390-L424 HydrophobicContact CB-CD2 4.29Å; H390-L424 PolarHBondContact CE1-O 2.61Å; H390-L424 PolarHBondContact NE2-O 3Å; M405-L424 HydrophobicContact CE-CB 3.81Å; M405-L424 HydrophobicContact CE-CD1 4.14Å; M405-L424 HydrophobicContact SD-CB 3.59Å; M405-L424 VanDerWaalsContact SD-CB 3.59Å; M405-L424 VanDerWaalsContact SD-O 3.39Å; L420-L424 HydrophobicContact CD1-CD1 3.96Å; L420-L424 HydrophobicContact CD2-CD1 4.31Å; L420-L424 HydrophobicContact CG-CD1 3.82Å; L420-L424 HydrophobicContact CG-CG 4.37Å; L420-L424 PolarHBondContact O-N 2.87Å; A421-L424 PolarHBondContact O-N 3.26Å
425	M	90.1	Very high	85.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	26%	0.262	C	S	.	.			trans	-91.2	156.8	-173.4	-55.2	174.2	79.3	0	0	111.5	D43 V44 L45 M405 V407 A421 P428	D43-M425 HydrophobicContact CB-CB 4.23Å; D43-M425 HydrophobicContact CB-CE 3.82Å; D43-M425 VanDerWaalsContact OD2-CA 3.29Å; D43-M425 WeakPolarHBondContact OD2-CA 3.34Å; D43-M425 WeakPolarHBondContact OD2-CB 3.4Å; V44-M425 VanDerWaalsContact O-CE 3.31Å; V44-M425 WeakPolarHBondContact O-CE 3.41Å; L45-M425 HydrophobicContact CB-CE 4.1Å; L45-M425 HydrophobicContact CB-SD 4.4Å; L45-M425 HydrophobicContact CD1-SD 4.32Å; M405-M425 HydrophobicContact CB-CE 4.23Å; M405-M425 HydrophobicContact CB-CG 3.91Å; M405-M425 HydrophobicContact CE-CG 4.25Å; M405-M425 HydrophobicContact SD-CG 4.03Å; V407-M425 HydrophobicContact CB-CE 4.19Å; V407-M425 HydrophobicContact CB-SD 4.1Å; V407-M425 HydrophobicContact CG2-CE 3.89Å; V407-M425 HydrophobicContact CG2-SD 3.58Å; V407-M425 VanDerWaalsContact CG2-SD 3.58Å; A421-M425 HydrophobicContact CB-SD 3.81Å; A421-M425 VanDerWaalsContact O-CB 3.31Å; A421-M425 WeakPolarHBondContact O-CB 3.16Å; A421-M425 PolarHBondContact O-N 2.75Å; M425-P428 HydrophobicContact CB-CB 4.02Å; M425-P428 HydrophobicContact CB-CG 4.15Å; M425-P428 HydrophobicContact CE-CB 3.9Å; M425-P428 HydrophobicContact SD-CB 4.21Å
426	H	81.9	Confident	84.4	Confident	17 Å²	17	55.7 Å²	55.7	8%	0.079	27%	0.271	C	S	.	.	S	Bend	trans	-123.8	112.5	-178	-63.6	-50.3	0	0	0	110.4	D43 A104 R402	D43-H426 PolarHBondContact OD2-N 3.33Å; A104-H426 HydrophobicContact CB-CB 3.6Å; R402-H426 PolarHBondContact NH2-O 3.01Å
427	F	81.1	Confident	83.5	Confident	48 Å²	48	52.4 Å²	52.4	21%	0.211	25%	0.253	C	S	.	.	S	Bend	trans	55.5	49.1	-176.7	-46.3	-74.8	0	0	0	111.3	A104 L111 Q113 E239 V429	A104-F427 HydrophobicContact CB-CE2 4.22Å; L111-F427 HydrophobicContact CD2-CD1 3.92Å; L111-F427 HydrophobicContact CD2-CE1 3.36Å; L111-F427 HydrophobicContact CD2-CZ 3.85Å; L111-F427 HydrophobicContact CG-CE1 3.75Å; L111-F427 HydrophobicContact CG-CZ 3.86Å; Q113-F427 HydrophobicContact CB-CE1 3.96Å; Q113-F427 HydrophobicContact CB-CZ 3.8Å; Q113-F427 VanDerWaalsContact CD-CD1 3.49Å; Q113-F427 HydrophobicContact CG-CD1 4.47Å; Q113-F427 HydrophobicContact CG-CE1 3.82Å; Q113-F427 HydrophobicContact CG-CE2 3.85Å; Q113-F427 HydrophobicContact CG-CZ 3.47Å; Q113-F427 VanDerWaalsContact CG-CZ 3.47Å; Q113-F427 VanDerWaalsContact NE2-CD1 3.32Å; E239-F427 HydrophobicContact CG-CE1 3.97Å; E239-F427 WeakPolarHBondContact OE2-CE1 3.43Å; F427-V429 PolarHBondContact O-N 2.9Å
428	P	89.5	Confident	82.8	Confident	32 Å²	32	55.2 Å²	55.2	21%	0.208	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.2	127.8	-179.6	29.4	-34.5	0	0	0	109.8	D43 L45 M425	D43-P428 HydrophobicContact CB-CB 4.24Å; D43-P428 CarbonylContact O-C 3.48Å; D43-P428 WeakPolarHBondContact O-CA 3.29Å; L45-P428 HydrophobicContact CB-CB 4.4Å; M425-P428 HydrophobicContact CB-CB 4.02Å; M425-P428 HydrophobicContact CB-CG 4.15Å; M425-P428 HydrophobicContact CE-CB 3.9Å; M425-P428 HydrophobicContact SD-CB 4.21Å
429	V	87.8	Confident	82.4	Confident	60 Å²	60	53.7 Å²	53.7	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.2	166.8	-177.3	0	0	0	0	108.2	L37 D43 L45 F427	L37-V429 HydrophobicContact CD1-CB 4.08Å; L37-V429 HydrophobicContact CD1-CG1 3.56Å; L37-V429 HydrophobicContact CD2-CG1 4.39Å; L37-V429 HydrophobicContact CD2-CG2 4.29Å; D43-V429 PolarHBondContact O-N 3.07Å; L45-V429 PolarHBondContact N-O 2.89Å; F427-V429 PolarHBondContact O-N 2.9Å
430	W	89.3	Confident	81.8	Confident	98 Å²	98	48 Å²	48	37%	0.371	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.5	179.9	-72.7	55.8	0	0	0	109.2	L45 L412 K418	L45-W430 HydrophobicContact CD2-CD2 3.81Å; L45-W430 HydrophobicContact CD2-CE3 4.1Å; L45-W430 HydrophobicContact CD2-CG 4.42Å; L45-W430 HydrophobicContact CD2-CH2 3.97Å; L45-W430 HydrophobicContact CD2-CZ2 3.64Å; L45-W430 HydrophobicContact CD2-CZ3 4.17Å; L45-W430 WeakPolarHBondContact O-CA 3.3Å; L412-W430 HydrophobicContact CB-CZ3 4.35Å; L412-W430 HydrophobicContact CD1-CE3 4.28Å; K418-W430 HydrophobicContact CD-CH2 4.03Å; K418-W430 HydrophobicContact CG-CH2 3.93Å
431	I	89.3	Confident	81.1	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	90.7	173.5	-50.5	171.2	0	0	0	106.6	I30 E33 A34 L37 V44 L45 M46 A47 L433	I30-I431 HydrophobicContact CD1-CB 4.27Å; I30-I431 HydrophobicContact CD1-CG2 3.56Å; E33-I431 HydrophobicContact CB-CD1 4.05Å; E33-I431 HydrophobicContact CB-CG1 4.42Å; E33-I431 HydrophobicContact CB-CG2 3.73Å; E33-I431 HydrophobicContact CG-CG2 4.29Å; A34-I431 HydrophobicContact CB-CD1 3.55Å; L37-I431 HydrophobicContact CD1-CD1 3.68Å; L37-I431 HydrophobicContact CD1-CG1 4.01Å; V44-I431 HydrophobicContact CG1-CD1 3.53Å; V44-I431 HydrophobicContact CG1-CG1 4.21Å; L45-I431 PolarHBondContact O-N 3.36Å; M46-I431 CarbonylContact C-O 3.45Å; M46-I431 VanDerWaalsContact CA-O 3.28Å; M46-I431 WeakPolarHBondContact CA-O 3.27Å; M46-I431 HydrophobicContact CB-CB 4.06Å; A47-I431 PolarHBondContact N-O 3.08Å; I431-L433 HydrophobicContact CG2-CG 4.31Å
432	D	85.9	Confident	80.8	Confident	53 Å²	53	57.6 Å²	57.6	28%	0.283	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	93.9	-178.4	-176.2	14.7	0	0	0	110.5	A47 L412 H413 K434 G435	A47-D432 WeakPolarHBondContact CB-OD1 3.19Å; L412-D432 HydrophobicContact CD1-CB 4.44Å; H413-D432 IonicContact CD2-OD2 2.83Å; H413-D432 IonicContact CE1-OD2 3.98Å; H413-D432 IonicContact NE2-OD2 2.61Å; H413-D432 PolarHBondContact NE2-OD2 2.97Å; D432-K434 PolarHBondContact OD1-N 3.44Å; D432-G435 PolarHBondContact OD1-N 3.26Å; D432-G435 WeakPolarHBondContact OD2-CA 3.26Å
433	L	78.8	Confident	81	Confident	86 Å²	86	53.4 Å²	53.4	45%	0.45	28%	0.276	S	S	.	.	S	Bend	trans	-88.5	-8.2	177.1	-59.6	-177.6	0	0	0	112.9	D29 I30 A47 I431	D29-L433 HydrophobicContact CB-CD1 3.66Å; I30-L433 HydrophobicContact CB-CD1 3.71Å; I30-L433 HydrophobicContact CD1-CD1 3.89Å; I30-L433 HydrophobicContact CD1-CG 4.24Å; I30-L433 HydrophobicContact CG1-CD1 4.38Å; A47-L433 PolarHBondContact O-N 3.47Å; A47-L433 VanDerWaalsContact O-N 3.07Å; I431-L433 HydrophobicContact CG2-CG 4.31Å
434	K	69.6	Low	81.2	Confident	32 Å²	32	48.4 Å²	48.4	14%	0.139	26%	0.255	C	S	.	.	S	Bend	trans	-98.4	-35.8	-176.8	-164.2	-168.1	-179.8	-164.7	0	111.5	A47 E49 A410 D432 D437	A47-K434 HydrophobicContact CB-CB 4.43Å; E49-K434 HydrophobicContact CG-CG 4.46Å; A410-K434 VanDerWaalsContact O-CD 3.23Å; A410-K434 WeakPolarHBondContact O-CD 3.09Å; A410-K434 PolarHBondContact O-NZ 2.86Å; D432-K434 PolarHBondContact OD1-N 3.44Å; K434-D437 IonicContact NZ-OD1 2.69Å; K434-D437 PolarHBondContact NZ-OD1 2.92Å
435	G	67.8	Low	81.4	Confident	29 Å²	29	49.2 Å²	49.2	30%	0.299	26%	0.258	S	S	.	.			trans	72.7	-147.8	-168	0	0	0	0	0	111.5	H413 D432	H413-G435 PolarHBondContact CD2-O 3.01Å; D432-G435 PolarHBondContact OD1-N 3.26Å; D432-G435 WeakPolarHBondContact OD2-CA 3.26Å
436	Q	66.8	Low	81.7	Confident	160 Å²	160	49.1 Å²	49.1	75%	0.748	26%	0.258	S	S	*	.	S	Bend	trans	-66.2	156	172.1	-69.1	-177	-3	0	0	110.9	S438	Q436-S438 PolarHBondContact O-N 3.23Å
437	D	68.7	Low	82.5	Confident	19 Å²	19	48.3 Å²	48.3	10%	0.102	25%	0.254	C	S	.	.			trans	-59.6	113.3	178.3	-76.1	-33.5	0	0	0	110.7	T411 K434 V604 H670	T411-D437 WeakPolarHBondContact CG2-OD1 3.25Å; T411-D437 WeakPolarHBondContact CG2-OD2 3.29Å; K434-D437 IonicContact NZ-OD1 2.69Å; K434-D437 PolarHBondContact NZ-OD1 2.92Å; D437-V604 HydrophobicContact CB-CG2 4.24Å; D437-H670 WeakPolarHBondContact CB-NE2 3.5Å; D437-H670 IonicContact OD2-CE1 2.71Å; D437-H670 PolarHBondContact OD2-CE1 3.28Å; D437-H670 IonicContact OD2-NE2 3.28Å; D437-H670 PolarHBondContact OD2-NE2 3.45Å
438	S	73.5	Confident	83.3	Confident	60 Å²	60	46 Å²	46	42%	0.42	24%	0.244	S	C	.	.			trans	-124	157.5	175.3	55.5	0	0	0	0	110.2	Q436	Q436-S438 PolarHBondContact O-N 3.23Å
439	V	79.8	Confident	83.7	Confident	35 Å²	35	48.1 Å²	48.1	21%	0.212	25%	0.253	C	S	.	.			trans	-87.5	124.9	171.6	-176.1	0	0	0	0	107.7	V443 I607 L671	V439-V443 HydrophobicContact CG1-CB 3.78Å; V439-V443 HydrophobicContact CG1-CG1 3.94Å; V439-I607 HydrophobicContact CB-CD1 4.31Å; V439-I607 HydrophobicContact CG1-CD1 3.67Å; V439-I607 HydrophobicContact CG2-CD1 3.72Å; V439-L671 HydrophobicContact CG2-CD1 3.77Å; V439-L671 HydrophobicContact CG2-CD2 3.79Å; V439-L671 HydrophobicContact CG2-CG 4.36Å
440	P	76	Confident	84.1	Confident	32 Å²	32	45.2 Å²	45.2	21%	0.208	24%	0.236	C	C	.	.			trans	-58.5	142.3	175.7	-22.5	32.3	0	0	0	110.9	T442 V443	P440-T442 PolarHBondContact O-N 2.83Å; P440-V443 HydrophobicContact CB-CG2 4.21Å; P440-V443 HydrophobicContact CG-CG2 4.25Å; P440-V443 WeakPolarHBondContact O-CB 3.28Å; P440-V443 PolarHBondContact O-N 2.71Å
441	E	78.3	Confident	84.5	Confident	183 Å²	183	42.1 Å²	42.1	86%	0.855	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22	179.1	-62.4	-175.9	171.2	0	0	113.3	V443	E441-V443 PolarHBondContact O-N 2.96Å
442	T	83.3	Confident	84.8	Confident	29 Å²	29	41.8 Å²	41.8	18%	0.178	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.3	175.5	53.1	0	0	0	0	113.6	P440 G611 M616 G617 L699	P440-T442 PolarHBondContact O-N 2.83Å; T442-G611 VanDerWaalsContact CB-O 3.26Å; T442-G611 WeakPolarHBondContact CB-O 3.48Å; T442-G611 PolarHBondContact OG1-O 3.25Å; T442-M616 CarbonylContact O-C 3.54Å; T442-M616 WeakPolarHBondContact O-CA 3.15Å; T442-G617 PolarHBondContact O-N 3.14Å; T442-L699 HydrophobicContact CG2-CD1 4.05Å
443	V	88.2	Confident	85.2	Confident	9 Å²	9	43 Å²	43	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.1	177.6	-179.9	0	0	0	0	108.8	V439 P440 E441 I607 V610	V439-V443 HydrophobicContact CG1-CB 3.78Å; V439-V443 HydrophobicContact CG1-CG1 3.94Å; P440-V443 HydrophobicContact CB-CG2 4.21Å; P440-V443 HydrophobicContact CG-CG2 4.25Å; P440-V443 WeakPolarHBondContact O-CB 3.28Å; P440-V443 PolarHBondContact O-N 2.71Å; E441-V443 PolarHBondContact O-N 2.96Å; V443-I607 HydrophobicContact CG1-CB 4.05Å; V443-I607 HydrophobicContact CG1-CD1 4.18Å; V443-I607 HydrophobicContact CG1-CG1 4.22Å; V443-V610 HydrophobicContact CG1-CG2 4.15Å; V443-V610 HydrophobicContact CG2-CG2 4.38Å
444	H	90.3	Very high	86	Confident	16 Å²	16	44.9 Å²	44.9	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124	164.5	-172.8	-174.9	0	0	0	108.1	M616 G617 L618 A619 I684 Y695	H444-M616 HydrophobicContact CB-CE 4.4Å; H444-G617 PolarHBondContact N-O 3.5Å; H444-L618 HydrophobicContact CB-CD1 4.47Å; H444-L618 CarbonylContact O-C 3.44Å; H444-L618 VanDerWaalsContact O-CA 3.26Å; H444-L618 WeakPolarHBondContact O-CA 3.25Å; H444-A619 PolarHBondContact O-N 2.95Å; H444-I684 WeakPolarHBondContact CE1-CG2 3.09Å; H444-Y695 HydrophobicContact CB-CE1 4Å; H444-Y695 AromaticContact ND1-CZ 3.81Å; H444-Y695 PolarHBondContact ND1-OH 3.38Å
445	H	94.4	Very high	87.2	Confident	25 Å²	25	44 Å²	44	12%	0.116	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.8	177.2	70.2	154.6	0	0	0	111.7	Y603 A619	H445-Y603 AromaticContact ND1-CE1 3.68Å; H445-Y603 AromaticContact ND1-CZ 3.83Å; H445-Y603 PolarHBondContact ND1-OH 3.31Å; H445-A619 CarbonylContact C-O 3.48Å; H445-A619 VanDerWaalsContact CA-O 3.24Å; H445-A619 WeakPolarHBondContact CA-O 3.17Å; H445-A619 HydrophobicContact CB-CB 4.01Å
446	V	95.6	Very high	88.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.6	-178.1	-62.8	0	0	0	0	111.1	L618 A619 I620 S621 D676 V678	V446-L618 HydrophobicContact CG2-CD1 4.36Å; V446-A619 PolarHBondContact N-O 2.92Å; V446-I620 HydrophobicContact CG2-CB 4.47Å; V446-I620 HydrophobicContact CG2-CG1 3.98Å; V446-S621 PolarHBondContact O-N 3.13Å; V446-D676 CarbonylContact C-O 3.47Å; V446-D676 VanDerWaalsContact CA-O 3.29Å; V446-D676 WeakPolarHBondContact CA-O 3.5Å; V446-D676 HydrophobicContact CG1-CB 4.36Å; V446-V678 HydrophobicContact CB-CG1 3.92Å; V446-V678 HydrophobicContact CB-CG2 4.4Å; V446-V678 HydrophobicContact CG1-CG1 3.98Å; V446-V678 HydrophobicContact CG2-CG1 4.14Å; V446-V678 HydrophobicContact CG2-CG2 4.12Å
447	V	97.7	Very high	89.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.1	172	169.3	0	0	0	0	109.5	L449 S621 V623 L664 I675 D676 T677 V678	V447-L449 HydrophobicContact CG1-CD2 3.77Å; V447-L449 HydrophobicContact CG1-CG 4.28Å; V447-S621 CarbonylContact C-O 3.58Å; V447-S621 WeakPolarHBondContact CA-O 3.38Å; V447-V623 HydrophobicContact CG1-CB 4Å; V447-V623 HydrophobicContact CG1-CG2 3.73Å; V447-V623 HydrophobicContact CG2-CG2 4.43Å; V447-L664 HydrophobicContact CG1-CD2 4.09Å; V447-L664 HydrophobicContact CG2-CD1 3.75Å; V447-L664 HydrophobicContact CG2-CD2 4.24Å; V447-I675 HydrophobicContact CG2-CB 4.01Å; V447-I675 HydrophobicContact CG2-CD1 4.47Å; V447-I675 HydrophobicContact CG2-CG2 3.82Å; V447-D676 PolarHBondContact N-O 3.47Å; V447-T677 CarbonylContact O-C 3.6Å; V447-T677 VanDerWaalsContact O-CA 3.27Å; V447-T677 WeakPolarHBondContact O-CA 3.39Å; V447-V678 WeakPolarHBondContact O-CG2 3.5Å; V447-V678 PolarHBondContact O-N 2.99Å
448	C	97.8	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.3	167.8	-173.2	0	0	0	0	108.3	S621 L622 V623 V678 D679 L682	C448-S621 PolarHBondContact N-O 3.48Å; C448-L622 HydrophobicContact CB-CD2 3.95Å; C448-V623 PolarHBondContact O-N 2.92Å; C448-V678 HydrophobicContact CB-CG2 3.86Å; C448-D679 PolarHBondContact SG-O 2.91Å; C448-D679 VanDerWaalsContact SG-O 3.39Å; C448-L682 HydrophobicContact CB-CD2 3.47Å; C448-L682 VanDerWaalsContact CB-CD2 3.47Å; C448-L682 HydrophobicContact CB-CG 4.47Å; C448-L682 VanDerWaalsContact SG-CD2 3.5Å
449	L	97.9	Very high	92	Very high	75 Å²	75	40 Å²	40	39%	0.393	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	127	179.5	-62.7	179.4	0	0	0	110.3	V447 V623 T625 T677	V447-L449 HydrophobicContact CG1-CD2 3.77Å; V447-L449 HydrophobicContact CG1-CG 4.28Å; L449-V623 CarbonylContact C-O 3.55Å; L449-V623 WeakPolarHBondContact CA-O 3.46Å; L449-V623 HydrophobicContact CD2-CB 4.1Å; L449-V623 HydrophobicContact CD2-CG1 4.15Å; L449-T625 HydrophobicContact CB-CG2 3.98Å; L449-T677 HydrophobicContact CD1-CG2 4.06Å; L449-T677 HydrophobicContact CG-CG2 3.95Å
450	I	98	Very high	92.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.3	174.9	-61.9	-179.1	0	0	0	107.8	L496 K497 Y500 L622 V623 S624 T625	I450-L496 HydrophobicContact CG2-CB 3.6Å; I450-L496 HydrophobicContact CG2-CD1 3.73Å; I450-L496 HydrophobicContact CG2-CG 4.34Å; I450-K497 HydrophobicContact CD1-CB 4.32Å; I450-K497 HydrophobicContact CD1-CG 3.46Å; I450-K497 VanDerWaalsContact CD1-CG 3.46Å; I450-Y500 HydrophobicContact CD1-CD1 3.93Å; I450-Y500 HydrophobicContact CD1-CD2 4.5Å; I450-Y500 HydrophobicContact CD1-CG 3.9Å; I450-Y500 HydrophobicContact CG1-CD1 3.64Å; I450-Y500 HydrophobicContact CG1-CE1 3.8Å; I450-Y500 HydrophobicContact CG1-CG 4.07Å; I450-L622 HydrophobicContact CD1-CB 3.83Å; I450-L622 HydrophobicContact CD1-CD1 4.24Å; I450-L622 HydrophobicContact CD1-CD2 4.44Å; I450-L622 HydrophobicContact CD1-CG 4.38Å; I450-V623 PolarHBondContact N-O 2.88Å; I450-S624 WeakPolarHBondContact O-CA 3.32Å; I450-T625 PolarHBondContact O-N 2.86Å; I450-T625 PolarHBondContact O-OG1 2.86Å
451	D	97	Very high	93.4	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	23%	0.231	C	C	.	.			trans	-110.1	107.1	177.5	-173.7	-10.2	0	0	0	110.9	N453 N454 D455 T625	D451-N453 PolarHBondContact O-N 3.11Å; D451-N453 VanDerWaalsContact OD1-CB 3.31Å; D451-N453 WeakPolarHBondContact OD1-CB 3.46Å; D451-N453 PolarHBondContact OD1-N 3.33Å; D451-N453 PolarHBondContact OD1-ND2 3.22Å; D451-N454 HydrophobicContact CB-CB 4.05Å; D451-N454 PolarHBondContact O-N 3.36Å; D451-N454 VanDerWaalsContact O-N 3.13Å; D451-N454 PolarHBondContact OD2-ND2 3.26Å; D451-D455 PolarHBondContact O-N 2.99Å; D451-T625 VanDerWaalsContact CA-OG1 3.32Å; D451-T625 WeakPolarHBondContact CA-OG1 3.24Å; D451-T625 HydrophobicContact CB-CG2 3.81Å; D451-T625 WeakPolarHBondContact CB-OG1 3.36Å; D451-T625 VanDerWaalsContact CG-OG1 3.3Å; D451-T625 PolarHBondContact OD1-OG1 3.31Å
452	P	96	Very high	93.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.8	-179.8	30.6	-37.8	0	0	0	113.6	W458 L489 A492 V493 L496 V626	P452-W458 PolarHBondContact O-NE1 3.31Å; P452-L489 HydrophobicContact CB-CD2 4.12Å; P452-L489 HydrophobicContact CG-CB 4.07Å; P452-L489 HydrophobicContact CG-CD2 3.99Å; P452-A492 HydrophobicContact CB-CB 3.7Å; P452-V493 HydrophobicContact CB-CG2 4.16Å; P452-V493 HydrophobicContact CG-CG2 3.72Å; P452-L496 HydrophobicContact CB-CD1 4.16Å; P452-V626 HydrophobicContact CG-CG1 4.26Å; P452-V626 HydrophobicContact CG-CG2 3.74Å
453	N	94.4	Very high	94.2	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-35.1	173.6	-57.9	-70.8	0	0	0	111.7	D451	D451-N453 PolarHBondContact O-N 3.11Å; D451-N453 VanDerWaalsContact OD1-CB 3.31Å; D451-N453 WeakPolarHBondContact OD1-CB 3.46Å; D451-N453 PolarHBondContact OD1-N 3.33Å; D451-N453 PolarHBondContact OD1-ND2 3.22Å
454	N	94.4	Very high	94.2	Very high	127 Å²	127	47.3 Å²	47.3	68%	0.679	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-35.1	-179.1	-73.4	-27	0	0	0	113	D451	D451-N454 HydrophobicContact CB-CB 4.05Å; D451-N454 PolarHBondContact O-N 3.36Å; D451-N454 VanDerWaalsContact O-N 3.13Å; D451-N454 PolarHBondContact OD2-ND2 3.26Å
455	D	95.8	Very high	93.8	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.07	27%	0.274	C	S	.	.			trans	-103.5	89.2	173.8	-169	-17.1	0	0	0	109.8	D451 S457 W458 L496 Y500 R503	D451-D455 PolarHBondContact O-N 2.99Å; D455-S457 PolarHBondContact O-N 3.11Å; D455-S457 WeakPolarHBondContact OD1-CB 3.36Å; D455-S457 PolarHBondContact OD1-N 3.29Å; D455-S457 PolarHBondContact OD1-OG 3.42Å; D455-W458 PolarHBondContact O-NE1 2.81Å; D455-L496 HydrophobicContact CB-CD1 4.24Å; D455-L496 HydrophobicContact CB-CD2 4.32Å; D455-Y500 WeakPolarHBondContact OD2-CE2 3.33Å; D455-Y500 PolarHBondContact OD2-OH 3.06Å; D455-R503 IonicContact OD2-NH1 3.56Å; D455-R503 IonicContact OD2-NH2 2.72Å
456	T	94.8	Very high	93.5	Very high	74 Å²	74	59.5 Å²	59.5	45%	0.454	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	9.9	-178.5	62.6	0	0	0	0	114.1	W458 K459	T456-W458 PolarHBondContact O-N 3.34Å; T456-K459 WeakPolarHBondContact O-CB 3.3Å; T456-K459 PolarHBondContact O-N 2.97Å; T456-K459 VanDerWaalsContact O-N 3.11Å
457	S	94.2	Very high	93.4	Very high	40 Å²	40	61.5 Å²	61.5	28%	0.28	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	-178.7	61	0	0	0	0	113	D455 K459 E460 L461 L496	D455-S457 PolarHBondContact O-N 3.11Å; D455-S457 WeakPolarHBondContact OD1-CB 3.36Å; D455-S457 PolarHBondContact OD1-N 3.29Å; D455-S457 PolarHBondContact OD1-OG 3.42Å; S457-K459 PolarHBondContact O-N 3.06Å; S457-K459 VanDerWaalsContact O-N 3.12Å; S457-E460 WeakPolarHBondContact O-CB 3.45Å; S457-E460 PolarHBondContact O-N 2.98Å; S457-L461 PolarHBondContact O-N 3.18Å; S457-L461 VanDerWaalsContact O-N 3.07Å; S457-L496 WeakPolarHBondContact OG-CD2 3.41Å
458	W	94.7	Very high	93.3	Very high	5 Å²	5	62.3 Å²	62.3	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-27.5	173.7	62.4	-95.1	0	0	0	113.9	P452 D455 T456 E460 L461 M462 P481 V488 A492 L495 L496	P452-W458 PolarHBondContact O-NE1 3.31Å; D455-W458 PolarHBondContact O-NE1 2.81Å; T456-W458 PolarHBondContact O-N 3.34Å; W458-E460 VanDerWaalsContact C-N 3.3Å; W458-E460 PolarHBondContact O-N 3.22Å; W458-L461 PolarHBondContact O-N 3.48Å; W458-M462 HydrophobicContact CE3-CE 3.58Å; W458-M462 HydrophobicContact CE3-SD 4.49Å; W458-M462 HydrophobicContact CZ3-CE 3.38Å; W458-M462 PolarHBondContact O-N 3Å; W458-P481 HydrophobicContact CZ3-CB 4.36Å; W458-V488 HydrophobicContact CH2-CG1 3.51Å; W458-V488 HydrophobicContact CZ3-CG1 3.81Å; W458-A492 HydrophobicContact CB-CB 4.21Å; W458-A492 HydrophobicContact CD2-CB 3.31Å; W458-A492 HydrophobicContact CE3-CB 3.64Å; W458-A492 HydrophobicContact CG-CB 3.53Å; W458-A492 HydrophobicContact CH2-CB 4.38Å; W458-A492 HydrophobicContact CZ2-CB 4.08Å; W458-A492 HydrophobicContact CZ3-CB 4.15Å; W458-L495 HydrophobicContact CB-CB 4.34Å; W458-L495 HydrophobicContact CB-CD1 4.45Å; W458-L496 HydrophobicContact CB-CD2 4.12Å; W458-L496 HydrophobicContact CB-CG 4.09Å
459	K	94.4	Very high	93.2	Very high	64 Å²	64	68.5 Å²	68.5	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-36	175.8	-62.3	-174.2	-176.6	-166.7	0	111.9	T456 S457 K463 P481	T456-K459 WeakPolarHBondContact O-CB 3.3Å; T456-K459 PolarHBondContact O-N 2.97Å; T456-K459 VanDerWaalsContact O-N 3.11Å; S457-K459 PolarHBondContact O-N 3.06Å; S457-K459 VanDerWaalsContact O-N 3.12Å; K459-K463 WeakPolarHBondContact O-CG 3.38Å; K459-P481 WeakPolarHBondContact CD-O 3.37Å; K459-P481 WeakPolarHBondContact CE-O 3.35Å; K459-P481 HydrophobicContact CG-CB 4.45Å; K459-P481 PolarHBondContact NZ-O 3.43Å
460	E	92.5	Very high	93	Very high	144 Å²	144	66 Å²	66	67%	0.673	33%	0.333	S	S	*	.	H	α-helix	trans	-76.7	-39.8	175	-175.4	173.7	-174.9	0	0	110.9	S457 W458 M462 K463 S464	S457-E460 WeakPolarHBondContact O-CB 3.45Å; S457-E460 PolarHBondContact O-N 2.98Å; W458-E460 VanDerWaalsContact C-N 3.3Å; W458-E460 PolarHBondContact O-N 3.22Å; E460-M462 PolarHBondContact O-N 2.92Å; E460-K463 PolarHBondContact O-N 3.31Å; E460-S464 PolarHBondContact O-N 3.32Å; E460-S464 PolarHBondContact O-OG 2.97Å
461	L	92.6	Very high	92.8	Very high	25 Å²	25	66.8 Å²	66.8	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-52	-54.7	173.4	-67.6	179.2	0	0	0	110.3	S457 W458 K463 S464 N465 H467 L495 E499	S457-L461 PolarHBondContact O-N 3.18Å; S457-L461 VanDerWaalsContact O-N 3.07Å; W458-L461 PolarHBondContact O-N 3.48Å; L461-K463 PolarHBondContact O-N 3.12Å; L461-K463 VanDerWaalsContact O-N 3.13Å; L461-S464 PolarHBondContact O-N 3.33Å; L461-S464 PolarHBondContact O-OG 3.37Å; L461-N465 PolarHBondContact O-N 3.49Å; L461-H467 HydrophobicContact CB-CB 4.05Å; L461-H467 HydrophobicContact CD2-CB 4.32Å; L461-H467 PolarHBondContact O-CD2 2.92Å; L461-L495 HydrophobicContact CD1-CB 4.37Å; L461-E499 HydrophobicContact CD1-CB 4.44Å
462	M	89.2	Confident	92.6	Very high	49 Å²	49	66.5 Å²	66.5	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-56.3	-32.2	178.4	-76.7	-159.1	-58.8	0	0	114.3	W458 E460 P481 L495	W458-M462 HydrophobicContact CE3-CE 3.58Å; W458-M462 HydrophobicContact CE3-SD 4.49Å; W458-M462 HydrophobicContact CZ3-CE 3.38Å; W458-M462 PolarHBondContact O-N 3Å; E460-M462 PolarHBondContact O-N 2.92Å; M462-P481 HydrophobicContact CE-CB 3.43Å; M462-P481 VanDerWaalsContact CE-CB 3.43Å; M462-P481 HydrophobicContact CE-CG 3.42Å; M462-P481 VanDerWaalsContact CE-CG 3.42Å; M462-L495 HydrophobicContact CG-CD1 3.39Å; M462-L495 HydrophobicContact SD-CD1 4.29Å
463	K	89.3	Confident	92.6	Very high	172 Å²	172	66.5 Å²	66.5	75%	0.748	34%	0.342	S	S	*	.	H	α-helix	trans	-75.7	-40.2	177	-69.8	174.9	-175.9	178.2	0	112.1	K459 E460 L461 N465	K459-K463 WeakPolarHBondContact O-CG 3.38Å; E460-K463 PolarHBondContact O-N 3.31Å; L461-K463 PolarHBondContact O-N 3.12Å; L461-K463 VanDerWaalsContact O-N 3.13Å; K463-N465 VanDerWaalsContact C-N 3.32Å
464	S	88	Confident	92.7	Very high	53 Å²	53	63 Å²	63	37%	0.371	32%	0.323	S	S	.	.	H	α-helix	trans	-75.5	-22.3	-175.7	72	0	0	0	0	113.3	E460 L461 K466	E460-S464 PolarHBondContact O-N 3.32Å; E460-S464 PolarHBondContact O-OG 2.97Å; L461-S464 PolarHBondContact O-N 3.33Å; L461-S464 PolarHBondContact O-OG 3.37Å; S464-K466 PolarHBondContact O-N 3.2Å; S464-K466 VanDerWaalsContact O-N 3.14Å; S464-K466 PolarHBondContact OG-N 2.95Å
465	N	81	Confident	92.5	Very high	131 Å²	131	63.4 Å²	63.4	70%	0.701	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	21.8	-170.5	-151.3	44.4	0	0	0	113.2	L461 K463	L461-N465 PolarHBondContact O-N 3.49Å; K463-N465 VanDerWaalsContact C-N 3.32Å
466	K	87.8	Confident	92.3	Very high	166 Å²	166	68.4 Å²	68.4	72%	0.722	34%	0.344	S	S	*	.			trans	-104.9	56.9	177.7	-66.8	-176.7	-179	-180	0	110.7	S464	S464-K466 PolarHBondContact O-N 3.2Å; S464-K466 VanDerWaalsContact O-N 3.14Å; S464-K466 PolarHBondContact OG-N 2.95Å
467	H	93.3	Very high	92.1	Very high	42 Å²	42	66.8 Å²	66.8	19%	0.194	33%	0.332	C	S	.	.	S	Bend	trans	-138.1	171.1	-178	58.6	79.7	0	0	0	111.3	L461 L495	L461-H467 HydrophobicContact CB-CB 4.05Å; L461-H467 HydrophobicContact CD2-CB 4.32Å; L461-H467 PolarHBondContact O-CD2 2.92Å; H467-L495 HydrophobicContact CB-CD2 4.18Å; H467-L495 WeakPolarHBondContact ND1-CD2 3.19Å
468	I	96.5	Very high	91.8	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.087	36%	0.361	C	S	.	.			trans	-57.6	140	171.4	-170.3	165.7	0	0	0	110.8	N525 L526 Y529	I468-N525 HydrophobicContact CG1-CB 4.28Å; I468-L526 HydrophobicContact CD1-CB 4.1Å; I468-L526 HydrophobicContact CD1-CD1 3.81Å; I468-Y529 HydrophobicContact CB-CD1 3.88Å; I468-Y529 HydrophobicContact CB-CD2 4.42Å; I468-Y529 HydrophobicContact CB-CE1 4.37Å; I468-Y529 HydrophobicContact CB-CG 3.91Å; I468-Y529 HydrophobicContact CG1-CD1 4.41Å; I468-Y529 HydrophobicContact CG1-CG 4.32Å
469	Q	95.3	Very high	91.6	Very high	130 Å²	130	76.5 Å²	76.5	61%	0.607	38%	0.375	S	S	*	.			trans	-69.8	135.4	169.1	-177.9	171.8	-6.7	0	0	109.7	N525	Q469-N525 VanDerWaalsContact O-CB 3.23Å; Q469-N525 WeakPolarHBondContact O-CB 3.11Å; Q469-N525 PolarHBondContact O-ND2 3.3Å
470	T	94.8	Very high	91.3	Very high	22 Å²	22	77.3 Å²	77.3	14%	0.135	38%	0.382	C	S	.	.			trans	-89.8	174.4	177.3	61.9	0	0	0	0	111.7	G472 E491 K494 L495 N525	T470-G472 PolarHBondContact O-N 3.2Å; T470-G472 VanDerWaalsContact O-N 3.15Å; T470-E491 WeakPolarHBondContact CB-OE1 3.5Å; T470-E491 WeakPolarHBondContact CG2-OE1 3.24Å; T470-E491 PolarHBondContact OG1-OE1 3.18Å; T470-E491 PolarHBondContact OG1-OE2 3.04Å; T470-K494 HydrophobicContact CG2-CB 3.63Å; T470-K494 HydrophobicContact CG2-CD 4.38Å; T470-L495 HydrophobicContact CG2-CD2 3.69Å; T470-L495 HydrophobicContact CG2-CG 4.33Å; T470-N525 PolarHBondContact O-ND2 3.38Å
471	D	92.9	Very high	91	Very high	17 Å²	17	72.1 Å²	72.1	9%	0.091	36%	0.361	C	S	.	.			trans	-72.5	0.3	-177.8	70.2	-7.5	0	0	0	114.3	V473 L521 W631	D471-V473 PolarHBondContact O-N 3.3Å; D471-V473 WeakPolarHBondContact OD1-CB 3.42Å; D471-V473 WeakPolarHBondContact OD1-CG1 3.46Å; D471-V473 PolarHBondContact OD1-N 3.47Å; D471-L521 HydrophobicContact CB-CD2 3.87Å; D471-W631 PolarHBondContact O-NE1 3.22Å
472	G	93.6	Very high	90.7	Very high	27 Å²	27	77.3 Å²	77.3	28%	0.278	39%	0.389	S	S	.	.	S	Bend	trans	68.1	10.5	179.5	0	0	0	0	0	114.4	T470 H474 M475	T470-G472 PolarHBondContact O-N 3.2Å; T470-G472 VanDerWaalsContact O-N 3.15Å; G472-H474 PolarHBondContact O-N 3.11Å; G472-H474 VanDerWaalsContact O-N 3.15Å; G472-M475 VanDerWaalsContact O-CB 3.25Å; G472-M475 WeakPolarHBondContact O-CB 3.4Å; G472-M475 VanDerWaalsContact O-CG 3.27Å; G472-M475 WeakPolarHBondContact O-CG 3.24Å; G472-M475 PolarHBondContact O-N 3.19Å
473	V	95.5	Very high	90.7	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.1	-179.2	77.1	0	0	0	0	112.3	D471 K629 W631 T646 C655	D471-V473 PolarHBondContact O-N 3.3Å; D471-V473 WeakPolarHBondContact OD1-CB 3.42Å; D471-V473 WeakPolarHBondContact OD1-CG1 3.46Å; D471-V473 PolarHBondContact OD1-N 3.47Å; V473-K629 HydrophobicContact CG1-CB 4.44Å; V473-K629 WeakPolarHBondContact CG1-O 3.33Å; V473-K629 HydrophobicContact CG2-CD 4.46Å; V473-K629 HydrophobicContact CG2-CG 4.15Å; V473-W631 HydrophobicContact CB-CZ2 4.35Å; V473-W631 HydrophobicContact CG2-CD2 4.1Å; V473-W631 HydrophobicContact CG2-CG 4.42Å; V473-W631 HydrophobicContact CG2-CZ2 4.21Å; V473-T646 WeakPolarHBondContact O-CB 3.3Å; V473-T646 WeakPolarHBondContact O-CG2 3.28Å; V473-C655 HydrophobicContact CG2-CB 4.3Å; V473-C655 WeakPolarHBondContact CG2-SG 3.28Å
474	H	95.6	Very high	90.6	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.019	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.7	178.8	-66.2	-63.2	0	0	0	114.4	G472 K476 D477 L479 E487 S490 E491	G472-H474 PolarHBondContact O-N 3.11Å; G472-H474 VanDerWaalsContact O-N 3.15Å; H474-K476 PolarHBondContact O-N 2.69Å; H474-D477 WeakPolarHBondContact CA-OD2 3.34Å; H474-D477 HydrophobicContact CB-CB 4.32Å; H474-D477 IonicContact CE1-OD2 3.84Å; H474-D477 IonicContact CG-OD2 3.74Å; H474-D477 IonicContact ND1-OD2 3.7Å; H474-D477 PolarHBondContact ND1-OD2 3.19Å; H474-D477 PolarHBondContact O-N 3.49Å; H474-L479 HydrophobicContact CB-CD1 4.03Å; H474-L479 HydrophobicContact CB-CD2 4.19Å; H474-L479 HydrophobicContact CB-CG 4.46Å; H474-E487 PolarHBondContact CE1-O 2.62Å; H474-S490 PolarHBondContact CE1-OG 2.88Å; H474-S490 VanDerWaalsContact NE2-CB 3.27Å; H474-S490 WeakPolarHBondContact NE2-CB 3.49Å; H474-S490 PolarHBondContact NE2-OG 2.8Å; H474-E491 IonicContact CD2-OE2 2.83Å; H474-E491 PolarHBondContact CD2-OE2 2.89Å; H474-E491 IonicContact CG-OE2 3.4Å
475	M	90.5	Very high	91	Very high	137 Å²	137	72.6 Å²	72.6	68%	0.675	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	-176.9	72.6	-173.3	-43.1	0	0	114.9	G472 T646	G472-M475 VanDerWaalsContact O-CB 3.25Å; G472-M475 WeakPolarHBondContact O-CB 3.4Å; G472-M475 VanDerWaalsContact O-CG 3.27Å; G472-M475 WeakPolarHBondContact O-CG 3.24Å; G472-M475 PolarHBondContact O-N 3.19Å; M475-T646 HydrophobicContact CG-CG2 4.45Å
476	K	91.2	Very high	91.7	Very high	118 Å²	118	70 Å²	70	51%	0.513	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-6.1	176.8	-63.8	-175	176.7	170.4	0	113.2	H474 Y644 T646	H474-K476 PolarHBondContact O-N 2.69Å; K476-Y644 PolarHBondContact NZ-O 3.42Å; K476-T646 HydrophobicContact CD-CG2 4.47Å
477	D	91.7	Very high	92.1	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.214	35%	0.348	C	S	.	.	S	Bend	trans	-87.4	145.7	-179.2	-60.5	-34.3	0	0	0	108.9	H474 L479 E487 K629	H474-D477 WeakPolarHBondContact CA-OD2 3.34Å; H474-D477 HydrophobicContact CB-CB 4.32Å; H474-D477 IonicContact CE1-OD2 3.84Å; H474-D477 IonicContact CG-OD2 3.74Å; H474-D477 IonicContact ND1-OD2 3.7Å; H474-D477 PolarHBondContact ND1-OD2 3.19Å; H474-D477 PolarHBondContact O-N 3.49Å; D477-L479 HydrophobicContact CB-CD2 4.4Å; D477-L479 PolarHBondContact O-N 3.24Å; D477-L479 VanDerWaalsContact O-N 3.17Å; D477-E487 HydrophobicContact CB-CB 4.07Å; D477-E487 HydrophobicContact CB-CG 4.15Å; D477-K629 IonicContact OD1-NZ 3.63Å; D477-K629 PolarHBondContact OD1-NZ 2.99Å; D477-K629 IonicContact OD2-NZ 2.75Å; D477-K629 PolarHBondContact OD2-NZ 2.72Å
478	Q	88.6	Confident	92.2	Very high	189 Å²	189	62.8 Å²	62.8	88%	0.883	34%	0.339	S	S	*	.			trans	-84.7	91.5	177.8	-69.2	-178.6	10.3	0	0	109.8	N480	Q478-N480 PolarHBondContact O-N 2.83Å
479	L	88.5	Confident	92.2	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.314	34%	0.34	S	S	.	.			trans	-80.5	100.9	-177.2	-60	176.7	0	0	0	111.1	H474 D477 V488 E491	H474-L479 HydrophobicContact CB-CD1 4.03Å; H474-L479 HydrophobicContact CB-CD2 4.19Å; H474-L479 HydrophobicContact CB-CG 4.46Å; D477-L479 HydrophobicContact CB-CD2 4.4Å; D477-L479 PolarHBondContact O-N 3.24Å; D477-L479 VanDerWaalsContact O-N 3.17Å; L479-V488 HydrophobicContact CB-CG2 4.49Å; L479-V488 HydrophobicContact CD2-CG2 3.89Å; L479-E491 HydrophobicContact CD1-CB 4.23Å; L479-E491 HydrophobicContact CD1-CG 3.89Å; L479-E491 HydrophobicContact CD2-CB 4.2Å
480	N	89.5	Confident	92.4	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	31%	0.311	S	S	.	.			trans	-101.6	115.6	169.9	-176.8	-10.8	0	0	0	109.5	Q478 N482 S483	Q478-N480 PolarHBondContact O-N 2.83Å; N480-N482 PolarHBondContact O-N 2.86Å; N480-N482 WeakPolarHBondContact OD1-CB 3.5Å; N480-N482 PolarHBondContact OD1-N 2.96Å; N480-S483 PolarHBondContact O-N 2.77Å; N480-S483 PolarHBondContact O-OG 2.81Å
481	P	85.8	Confident	92.4	Very high	36 Å²	36	56.6 Å²	56.6	23%	0.234	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.3	179.9	-15	22.5	0	0	0	114.5	W458 K459 M462	W458-P481 HydrophobicContact CZ3-CB 4.36Å; K459-P481 WeakPolarHBondContact CD-O 3.37Å; K459-P481 WeakPolarHBondContact CE-O 3.35Å; K459-P481 HydrophobicContact CG-CB 4.45Å; K459-P481 PolarHBondContact NZ-O 3.43Å; M462-P481 HydrophobicContact CE-CB 3.43Å; M462-P481 VanDerWaalsContact CE-CB 3.43Å; M462-P481 HydrophobicContact CE-CG 3.42Å; M462-P481 VanDerWaalsContact CE-CG 3.42Å
482	N	87.1	Confident	92.6	Very high	134 Å²	134	55.8 Å²	55.8	72%	0.717	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.7	178.5	-61.3	-38.1	0	0	0	113.3	N480	N480-N482 PolarHBondContact O-N 2.86Å; N480-N482 WeakPolarHBondContact OD1-CB 3.5Å; N480-N482 PolarHBondContact OD1-N 2.96Å
483	S	88.1	Confident	92.8	Very high	32 Å²	32	54.5 Å²	54.5	22%	0.224	29%	0.292	C	S	.	.			trans	-96.8	165	171	74.5	0	0	0	0	111.3	N480 V488	N480-S483 PolarHBondContact O-N 2.77Å; N480-S483 PolarHBondContact O-OG 2.81Å; S483-V488 WeakPolarHBondContact O-CG1 3.42Å; S483-V488 WeakPolarHBondContact OG-CG2 3.33Å
484	S	88.1	Confident	92.9	Very high	87 Å²	87	55.5 Å²	55.5	61%	0.608	30%	0.296	S	S	*	.			trans	-121.9	36.5	177.9	-58.1	0	0	0	0	110.9
485	T	95	Very high	93	Very high	55 Å²	55	55.3 Å²	55.3	34%	0.337	30%	0.295	S	S	.	.			trans	-68.5	153.5	176.4	66.4	0	0	0	0	110.1	E487 V488 L489	T485-E487 PolarHBondContact O-N 3.22Å; T485-E487 VanDerWaalsContact O-N 3.16Å; T485-V488 PolarHBondContact O-N 2.66Å; T485-V488 WeakPolarHBondContact OG1-CG2 3.16Å; T485-V488 PolarHBondContact OG1-N 2.92Å; T485-L489 PolarHBondContact O-N 2.7Å
486	P	96	Very high	93.3	Very high	76 Å²	76	48.8 Å²	48.8	49%	0.494	26%	0.263	S	S	.	.	H	α-helix	trans	-52.5	-37.3	177.1	-28.5	36.9	0	0	0	113.2	S490 W657	P486-S490 WeakPolarHBondContact O-CB 3.1Å; P486-S490 PolarHBondContact O-N 2.91Å; P486-W657 HydrophobicContact CB-CH2 3.41Å; P486-W657 VanDerWaalsContact CB-CH2 3.41Å; P486-W657 HydrophobicContact CB-CZ2 3.88Å; P486-W657 HydrophobicContact CB-CZ3 4.02Å
487	E	96.4	Very high	93.7	Very high	55 Å²	55	43.6 Å²	43.6	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-42.6	178.1	-64.1	74.2	-164.4	0	0	112.1	H474 D477 T485 S490 E491 W657	H474-E487 PolarHBondContact CE1-O 2.62Å; D477-E487 HydrophobicContact CB-CB 4.07Å; D477-E487 HydrophobicContact CB-CG 4.15Å; T485-E487 PolarHBondContact O-N 3.22Å; T485-E487 VanDerWaalsContact O-N 3.16Å; E487-S490 PolarHBondContact O-N 2.82Å; E487-E491 PolarHBondContact O-N 2.86Å; E487-W657 HydrophobicContact CG-CH2 4.46Å
488	V	96.3	Very high	93.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-43.2	177.2	169.4	0	0	0	0	111	W458 L479 S483 T485 S490 E491 A492	W458-V488 HydrophobicContact CH2-CG1 3.51Å; W458-V488 HydrophobicContact CZ3-CG1 3.81Å; L479-V488 HydrophobicContact CB-CG2 4.49Å; L479-V488 HydrophobicContact CD2-CG2 3.89Å; S483-V488 WeakPolarHBondContact O-CG1 3.42Å; S483-V488 WeakPolarHBondContact OG-CG2 3.33Å; T485-V488 PolarHBondContact O-N 2.66Å; T485-V488 WeakPolarHBondContact OG1-CG2 3.16Å; T485-V488 PolarHBondContact OG1-N 2.92Å; V488-S490 VanDerWaalsContact C-N 3.32Å; V488-S490 PolarHBondContact O-N 3.15Å; V488-E491 PolarHBondContact O-N 3.06Å; V488-A492 VanDerWaalsContact O-CB 3.31Å; V488-A492 WeakPolarHBondContact O-CB 3.29Å; V488-A492 PolarHBondContact O-N 2.7Å
489	L	97	Very high	94.3	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-34.5	177.5	-61.8	-179.9	0	0	0	111.9	P452 T485 A492 V493 V626	P452-L489 HydrophobicContact CB-CD2 4.12Å; P452-L489 HydrophobicContact CG-CB 4.07Å; P452-L489 HydrophobicContact CG-CD2 3.99Å; T485-L489 PolarHBondContact O-N 2.7Å; L489-A492 WeakPolarHBondContact O-CB 3.25Å; L489-A492 PolarHBondContact O-N 3.1Å; L489-V493 VanDerWaalsContact O-CG2 3.27Å; L489-V493 WeakPolarHBondContact O-CG2 3.34Å; L489-V493 PolarHBondContact O-N 2.87Å; L489-V626 HydrophobicContact CB-CG2 4.16Å; L489-V626 HydrophobicContact CD1-CG1 4.37Å
490	S	97.5	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-40.6	174	170.2	0	0	0	0	112.9	H474 P486 E487 V488 K494 K629	H474-S490 PolarHBondContact CE1-OG 2.88Å; H474-S490 VanDerWaalsContact NE2-CB 3.27Å; H474-S490 WeakPolarHBondContact NE2-CB 3.49Å; H474-S490 PolarHBondContact NE2-OG 2.8Å; P486-S490 WeakPolarHBondContact O-CB 3.1Å; P486-S490 PolarHBondContact O-N 2.91Å; E487-S490 PolarHBondContact O-N 2.82Å; V488-S490 VanDerWaalsContact C-N 3.32Å; V488-S490 PolarHBondContact O-N 3.15Å; S490-K494 WeakPolarHBondContact O-CG 3.35Å; S490-K494 PolarHBondContact O-N 3.19Å; S490-K494 PolarHBondContact O-NZ 3.47Å; S490-K494 PolarHBondContact OG-NZ 3.11Å; S490-K629 PolarHBondContact OG-N 2.98Å
491	E	96.6	Very high	95.2	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-43.7	172.2	-174	69.9	-178.6	0	0	110.8	T470 H474 L479 E487 V488 V493 K494 L495	T470-E491 WeakPolarHBondContact CB-OE1 3.5Å; T470-E491 WeakPolarHBondContact CG2-OE1 3.24Å; T470-E491 PolarHBondContact OG1-OE1 3.18Å; T470-E491 PolarHBondContact OG1-OE2 3.04Å; H474-E491 IonicContact CD2-OE2 2.83Å; H474-E491 PolarHBondContact CD2-OE2 2.89Å; H474-E491 IonicContact CG-OE2 3.4Å; L479-E491 HydrophobicContact CD1-CB 4.23Å; L479-E491 HydrophobicContact CD1-CG 3.89Å; L479-E491 HydrophobicContact CD2-CB 4.2Å; E487-E491 PolarHBondContact O-N 2.86Å; V488-E491 PolarHBondContact O-N 3.06Å; E491-V493 VanDerWaalsContact C-N 3.3Å; E491-V493 PolarHBondContact O-N 2.88Å; E491-K494 WeakPolarHBondContact O-CB 3.42Å; E491-K494 PolarHBondContact O-N 3.43Å; E491-K494 VanDerWaalsContact O-N 3.1Å; E491-L495 WeakPolarHBondContact O-CG 2.97Å; E491-L495 PolarHBondContact O-N 3.28Å; E491-L495 VanDerWaalsContact O-N 3.14Å
492	A	96.8	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55	-44.8	177.6	0	0	0	0	0	112.3	P452 W458 V488 L489 K494 L495 L496	P452-A492 HydrophobicContact CB-CB 3.7Å; W458-A492 HydrophobicContact CB-CB 4.21Å; W458-A492 HydrophobicContact CD2-CB 3.31Å; W458-A492 HydrophobicContact CE3-CB 3.64Å; W458-A492 HydrophobicContact CG-CB 3.53Å; W458-A492 HydrophobicContact CH2-CB 4.38Å; W458-A492 HydrophobicContact CZ2-CB 4.08Å; W458-A492 HydrophobicContact CZ3-CB 4.15Å; V488-A492 VanDerWaalsContact O-CB 3.31Å; V488-A492 WeakPolarHBondContact O-CB 3.29Å; V488-A492 PolarHBondContact O-N 2.7Å; L489-A492 WeakPolarHBondContact O-CB 3.25Å; L489-A492 PolarHBondContact O-N 3.1Å; A492-K494 PolarHBondContact O-N 2.87Å; A492-L495 PolarHBondContact O-N 3.15Å; A492-L496 VanDerWaalsContact O-CG 3.31Å; A492-L496 WeakPolarHBondContact O-CG 3.29Å; A492-L496 PolarHBondContact O-N 2.82Å
493	V	97.7	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-41.5	177.2	168.8	0	0	0	0	111.9	P452 L489 E491 L495 L496 K497 S624 V626 E628	P452-V493 HydrophobicContact CB-CG2 4.16Å; P452-V493 HydrophobicContact CG-CG2 3.72Å; L489-V493 VanDerWaalsContact O-CG2 3.27Å; L489-V493 WeakPolarHBondContact O-CG2 3.34Å; L489-V493 PolarHBondContact O-N 2.87Å; E491-V493 VanDerWaalsContact C-N 3.3Å; E491-V493 PolarHBondContact O-N 2.88Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 2.89Å; V493-L496 PolarHBondContact O-N 2.81Å; V493-K497 HydrophobicContact CG1-CD 4.07Å; V493-K497 HydrophobicContact CG1-CG 4.29Å; V493-K497 WeakPolarHBondContact O-CB 3.41Å; V493-K497 WeakPolarHBondContact O-CG 3.25Å; V493-K497 PolarHBondContact O-N 3.11Å; V493-S624 WeakPolarHBondContact CG2-OG 3.45Å; V493-V626 HydrophobicContact CG2-CG2 3.6Å; V493-E628 HydrophobicContact CB-CG 4.15Å; V493-E628 HydrophobicContact CG1-CG 3.73Å; V493-E628 WeakPolarHBondContact CG1-OE1 3.4Å
494	K	97.3	Very high	96.6	Very high	21 Å²	21	21.6 Å²	21.6	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-41.7	178.2	-68.8	168.2	179.2	49.7	0	111.5	T470 S490 E491 A492 G498 E628 K629	T470-K494 HydrophobicContact CG2-CB 3.63Å; T470-K494 HydrophobicContact CG2-CD 4.38Å; S490-K494 WeakPolarHBondContact O-CG 3.35Å; S490-K494 PolarHBondContact O-N 3.19Å; S490-K494 PolarHBondContact O-NZ 3.47Å; S490-K494 PolarHBondContact OG-NZ 3.11Å; E491-K494 WeakPolarHBondContact O-CB 3.42Å; E491-K494 PolarHBondContact O-N 3.43Å; E491-K494 VanDerWaalsContact O-N 3.1Å; A492-K494 PolarHBondContact O-N 2.87Å; K494-G498 PolarHBondContact O-N 3.42Å; K494-E628 WeakPolarHBondContact CG-OE2 3.26Å; K494-E628 IonicContact NZ-OE2 3.36Å; K494-E628 PolarHBondContact NZ-OE2 3.26Å; K494-K629 WeakPolarHBondContact CE-O 3.32Å; K494-K629 PolarHBondContact NZ-O 3.18Å
495	L	97.2	Very high	97	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-47.4	175	-60.9	-179.3	0	0	0	111.8	W458 L461 M462 H467 T470 E491 A492 V493 K497 G498 E499	W458-L495 HydrophobicContact CB-CB 4.34Å; W458-L495 HydrophobicContact CB-CD1 4.45Å; L461-L495 HydrophobicContact CD1-CB 4.37Å; M462-L495 HydrophobicContact CG-CD1 3.39Å; M462-L495 HydrophobicContact SD-CD1 4.29Å; H467-L495 HydrophobicContact CB-CD2 4.18Å; H467-L495 WeakPolarHBondContact ND1-CD2 3.19Å; T470-L495 HydrophobicContact CG2-CD2 3.69Å; T470-L495 HydrophobicContact CG2-CG 4.33Å; E491-L495 WeakPolarHBondContact O-CG 2.97Å; E491-L495 PolarHBondContact O-N 3.28Å; E491-L495 VanDerWaalsContact O-N 3.14Å; A492-L495 PolarHBondContact O-N 3.15Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 2.89Å; L495-K497 PolarHBondContact O-N 3.27Å; L495-G498 PolarHBondContact O-N 2.93Å; L495-E499 PolarHBondContact O-N 2.96Å
496	L	97.8	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-39.7	178.7	-71	175.9	0	0	0	112.1	I450 P452 D455 S457 W458 A492 V493 G498 E499 Y500	I450-L496 HydrophobicContact CG2-CB 3.6Å; I450-L496 HydrophobicContact CG2-CD1 3.73Å; I450-L496 HydrophobicContact CG2-CG 4.34Å; P452-L496 HydrophobicContact CB-CD1 4.16Å; D455-L496 HydrophobicContact CB-CD1 4.24Å; D455-L496 HydrophobicContact CB-CD2 4.32Å; S457-L496 WeakPolarHBondContact OG-CD2 3.41Å; W458-L496 HydrophobicContact CB-CD2 4.12Å; W458-L496 HydrophobicContact CB-CG 4.09Å; A492-L496 VanDerWaalsContact O-CG 3.31Å; A492-L496 WeakPolarHBondContact O-CG 3.29Å; A492-L496 PolarHBondContact O-N 2.82Å; V493-L496 PolarHBondContact O-N 2.81Å; L496-G498 VanDerWaalsContact C-N 3.29Å; L496-G498 PolarHBondContact O-N 2.87Å; L496-E499 CarbonylContact O-C 3.59Å; L496-E499 PolarHBondContact O-N 2.74Å; L496-Y500 HydrophobicContact CB-CD2 4.39Å; L496-Y500 HydrophobicContact CB-CE2 4.36Å; L496-Y500 HydrophobicContact CD2-CE2 4.29Å; L496-Y500 WeakPolarHBondContact O-CB 3.1Å; L496-Y500 WeakPolarHBondContact O-CD2 3.32Å; L496-Y500 PolarHBondContact O-N 2.63Å
497	K	98	Very high	97	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.035	10%	0.101	C	C	.	.	H	α-helix	trans	-56.2	-44.4	176.4	-85.5	-179.4	168.5	-175.6	0	111.7	I450 V493 L495 E499 Y500 V501 V594 E628 E660	I450-K497 HydrophobicContact CD1-CB 4.32Å; I450-K497 HydrophobicContact CD1-CG 3.46Å; I450-K497 VanDerWaalsContact CD1-CG 3.46Å; V493-K497 HydrophobicContact CG1-CD 4.07Å; V493-K497 HydrophobicContact CG1-CG 4.29Å; V493-K497 WeakPolarHBondContact O-CB 3.41Å; V493-K497 WeakPolarHBondContact O-CG 3.25Å; V493-K497 PolarHBondContact O-N 3.11Å; L495-K497 PolarHBondContact O-N 3.27Å; K497-E499 PolarHBondContact O-N 3.26Å; K497-Y500 PolarHBondContact O-N 3.22Å; K497-V501 WeakPolarHBondContact O-CG2 3.38Å; K497-V501 PolarHBondContact O-N 3.3Å; K497-V594 HydrophobicContact CB-CG1 4.18Å; K497-V594 HydrophobicContact CD-CG1 4.5Å; K497-V594 VanDerWaalsContact CD-O 3.29Å; K497-V594 WeakPolarHBondContact CD-O 3.44Å; K497-V594 WeakPolarHBondContact CE-O 3.43Å; K497-V594 PolarHBondContact NZ-O 2.97Å; K497-E628 WeakPolarHBondContact CE-OE1 3.21Å; K497-E628 IonicContact NZ-OE1 3.48Å; K497-E628 PolarHBondContact NZ-OE1 3.01Å; K497-E660 WeakPolarHBondContact CE-OE2 3.04Å; K497-E660 IonicContact NZ-OE1 3.47Å; K497-E660 PolarHBondContact NZ-OE1 3.17Å; K497-E660 IonicContact NZ-OE2 2.69Å; K497-E660 PolarHBondContact NZ-OE2 2.77Å
498	G	97.4	Very high	96.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-56.2	-48.8	172.9	0	0	0	0	0	112.5	K494 L495 L496 V501 I502	K494-G498 PolarHBondContact O-N 3.42Å; L495-G498 PolarHBondContact O-N 2.93Å; L496-G498 VanDerWaalsContact C-N 3.29Å; L496-G498 PolarHBondContact O-N 2.87Å; G498-V501 PolarHBondContact O-N 2.83Å; G498-I502 WeakPolarHBondContact O-CG1 3.47Å; G498-I502 PolarHBondContact O-N 2.99Å
499	E	97.2	Very high	96.5	Very high	51 Å²	51	28 Å²	28	24%	0.238	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-38.1	179.5	-174.6	57.4	-147.9	0	0	112.7	L461 L495 L496 K497 V501 I502 R503 Y529	L461-E499 HydrophobicContact CD1-CB 4.44Å; L495-E499 PolarHBondContact O-N 2.96Å; L496-E499 CarbonylContact O-C 3.59Å; L496-E499 PolarHBondContact O-N 2.74Å; K497-E499 PolarHBondContact O-N 3.26Å; E499-V501 VanDerWaalsContact C-N 3.33Å; E499-V501 PolarHBondContact O-N 3.47Å; E499-I502 WeakPolarHBondContact O-CB 3.42Å; E499-I502 PolarHBondContact O-N 2.62Å; E499-I502 VanDerWaalsContact O-N 3.15Å; E499-R503 WeakPolarHBondContact O-CB 3.41Å; E499-R503 PolarHBondContact O-N 3.42Å; E499-Y529 PolarHBondContact OE2-OH 3Å
500	Y	98.2	Very high	96.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-69.8	-31	180	-84.7	-126.9	0	0	0	111.7	I450 D455 L496 K497 R503 A504 L622 K680	I450-Y500 HydrophobicContact CD1-CD1 3.93Å; I450-Y500 HydrophobicContact CD1-CD2 4.5Å; I450-Y500 HydrophobicContact CD1-CG 3.9Å; I450-Y500 HydrophobicContact CG1-CD1 3.64Å; I450-Y500 HydrophobicContact CG1-CE1 3.8Å; I450-Y500 HydrophobicContact CG1-CG 4.07Å; D455-Y500 WeakPolarHBondContact OD2-CE2 3.33Å; D455-Y500 PolarHBondContact OD2-OH 3.06Å; L496-Y500 HydrophobicContact CB-CD2 4.39Å; L496-Y500 HydrophobicContact CB-CE2 4.36Å; L496-Y500 HydrophobicContact CD2-CE2 4.29Å; L496-Y500 WeakPolarHBondContact O-CB 3.1Å; L496-Y500 WeakPolarHBondContact O-CD2 3.32Å; L496-Y500 PolarHBondContact O-N 2.63Å; K497-Y500 PolarHBondContact O-N 3.22Å; Y500-R503 VanDerWaalsContact CZ-NH1 3.27Å; Y500-R503 PolarHBondContact O-N 2.75Å; Y500-R503 PolarHBondContact OH-NH1 3.04Å; Y500-A504 WeakPolarHBondContact O-CB 3.24Å; Y500-A504 PolarHBondContact O-N 3.07Å; Y500-L622 HydrophobicContact CD1-CD2 4.41Å; Y500-K680 HydrophobicContact CE1-CB 4.15Å; Y500-K680 WeakPolarHBondContact OH-CB 3.48Å
501	V	98.3	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-46.2	169	172.2	0	0	0	0	110.6	K497 G498 E499 R503 A504 I505 I515 L526 F530 I592 V594 L622	K497-V501 WeakPolarHBondContact O-CG2 3.38Å; K497-V501 PolarHBondContact O-N 3.3Å; G498-V501 PolarHBondContact O-N 2.83Å; E499-V501 VanDerWaalsContact C-N 3.33Å; E499-V501 PolarHBondContact O-N 3.47Å; V501-R503 VanDerWaalsContact C-N 3.32Å; V501-R503 PolarHBondContact O-N 2.88Å; V501-A504 PolarHBondContact O-N 3.47Å; V501-I505 HydrophobicContact CG1-CD1 3.94Å; V501-I505 WeakPolarHBondContact O-CG1 3.38Å; V501-I505 PolarHBondContact O-N 2.93Å; V501-I515 HydrophobicContact CG1-CD1 4.27Å; V501-L526 HydrophobicContact CB-CD1 4.5Å; V501-L526 HydrophobicContact CG1-CD1 4.23Å; V501-L526 HydrophobicContact CG1-CD2 4.4Å; V501-F530 HydrophobicContact CG1-CE1 4.07Å; V501-F530 HydrophobicContact CG1-CZ 3.86Å; V501-I592 HydrophobicContact CG1-CD1 4.37Å; V501-I592 HydrophobicContact CG2-CG2 4.32Å; V501-V594 HydrophobicContact CG2-CB 4.42Å; V501-V594 HydrophobicContact CG2-CG1 4.11Å; V501-V594 HydrophobicContact CG2-CG2 3.61Å; V501-L622 HydrophobicContact CG2-CD1 3.79Å
502	I	97.1	Very high	95.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-41.2	177.9	-56.9	-48.3	0	0	0	111.2	G498 E499 I505 K506 Y529 F530 M533 F544	G498-I502 WeakPolarHBondContact O-CG1 3.47Å; G498-I502 PolarHBondContact O-N 2.99Å; E499-I502 WeakPolarHBondContact O-CB 3.42Å; E499-I502 PolarHBondContact O-N 2.62Å; E499-I502 VanDerWaalsContact O-N 3.15Å; I502-I505 PolarHBondContact O-N 2.83Å; I502-K506 HydrophobicContact CG2-CD 4.04Å; I502-K506 HydrophobicContact CG2-CG 4.5Å; I502-K506 WeakPolarHBondContact O-CG 3.31Å; I502-K506 PolarHBondContact O-N 3.44Å; I502-Y529 HydrophobicContact CD1-CD1 4.4Å; I502-Y529 HydrophobicContact CD1-CE1 4.19Å; I502-Y529 HydrophobicContact CG1-CD1 4.31Å; I502-Y529 HydrophobicContact CG1-CE1 3.64Å; I502-F530 HydrophobicContact CD1-CD1 3.82Å; I502-F530 HydrophobicContact CD1-CE1 3.33Å; I502-F530 HydrophobicContact CD1-CZ 4.15Å; I502-M533 HydrophobicContact CD1-CE 3.24Å; I502-M533 HydrophobicContact CD1-SD 4.24Å; I502-M533 HydrophobicContact CG1-CE 3.74Å; I502-M533 HydrophobicContact CG1-SD 4.26Å; I502-M533 HydrophobicContact CG2-SD 4.47Å; I502-F544 HydrophobicContact CD1-CD1 4.16Å; I502-F544 HydrophobicContact CD1-CE1 3.84Å; I502-F544 HydrophobicContact CG2-CE1 4.13Å; I502-F544 HydrophobicContact CG2-CZ 4.01Å
503	R	96.7	Very high	95.9	Very high	54 Å²	54	33.6 Å²	33.6	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-43.9	176.1	-165.1	179.6	-64	159.9	3.6	111.5	D455 E499 Y500 V501 K506 Q507 K680 L682	D455-R503 IonicContact OD2-NH1 3.56Å; D455-R503 IonicContact OD2-NH2 2.72Å; E499-R503 WeakPolarHBondContact O-CB 3.41Å; E499-R503 PolarHBondContact O-N 3.42Å; Y500-R503 VanDerWaalsContact CZ-NH1 3.27Å; Y500-R503 PolarHBondContact O-N 2.75Å; Y500-R503 PolarHBondContact OH-NH1 3.04Å; V501-R503 VanDerWaalsContact C-N 3.32Å; V501-R503 PolarHBondContact O-N 2.88Å; R503-K506 PolarHBondContact O-N 3.1Å; R503-Q507 WeakPolarHBondContact O-CB 3.4Å; R503-Q507 PolarHBondContact O-N 2.92Å; R503-K680 WeakPolarHBondContact CD-O 3.32Å; R503-K680 PolarHBondContact NH1-O 3.12Å; R503-L682 HydrophobicContact CB-CD1 3.98Å; R503-L682 HydrophobicContact CG-CD1 4.08Å
504	A	96.7	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-49.2	176	0	0	0	0	0	111.6	Y500 V501 K506 Q508 M510 I592 I620 L682	Y500-A504 WeakPolarHBondContact O-CB 3.24Å; Y500-A504 PolarHBondContact O-N 3.07Å; V501-A504 PolarHBondContact O-N 3.47Å; A504-K506 PolarHBondContact O-N 3.45Å; A504-Q508 WeakPolarHBondContact O-CB 3.23Å; A504-Q508 PolarHBondContact O-N 3.12Å; A504-M510 HydrophobicContact CB-CE 4.25Å; A504-I592 HydrophobicContact CB-CD1 4.02Å; A504-I620 HydrophobicContact CB-CD1 4.15Å; A504-L682 HydrophobicContact CB-CD1 3.8Å
505	I	96.8	Very high	95.8	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-48.4	179.5	-72.6	166	0	0	0	111	V501 I502 N509 M510 I515 F530 F544 F572 I592	V501-I505 HydrophobicContact CG1-CD1 3.94Å; V501-I505 WeakPolarHBondContact O-CG1 3.38Å; V501-I505 PolarHBondContact O-N 2.93Å; I502-I505 PolarHBondContact O-N 2.83Å; I505-N509 WeakPolarHBondContact O-CA 2.97Å; I505-N509 PolarHBondContact O-N 3.29Å; I505-N509 VanDerWaalsContact O-N 3.12Å; I505-M510 HydrophobicContact CG1-SD 4.22Å; I505-M510 HydrophobicContact CG2-CB 4.5Å; I505-M510 PolarHBondContact O-N 3.47Å; I505-I515 HydrophobicContact CD1-CD1 4.33Å; I505-F530 HydrophobicContact CD1-CE1 4.32Å; I505-F530 HydrophobicContact CD1-CE2 3.91Å; I505-F530 HydrophobicContact CD1-CZ 3.42Å; I505-F530 VanDerWaalsContact CD1-CZ 3.42Å; I505-F544 HydrophobicContact CB-CE1 4.43Å; I505-F544 HydrophobicContact CD1-CD1 4.4Å; I505-F544 HydrophobicContact CD1-CE1 4.37Å; I505-F544 HydrophobicContact CG2-CD1 4.43Å; I505-F544 HydrophobicContact CG2-CE1 3.87Å; I505-F572 HydrophobicContact CB-CZ 4.25Å; I505-F572 HydrophobicContact CD1-CD2 4.28Å; I505-F572 HydrophobicContact CD1-CE1 4.12Å; I505-F572 HydrophobicContact CD1-CE2 3.75Å; I505-F572 HydrophobicContact CD1-CZ 3.7Å; I505-F572 HydrophobicContact CG1-CE1 4Å; I505-F572 HydrophobicContact CG1-CE2 4.26Å; I505-F572 HydrophobicContact CG1-CZ 3.7Å; I505-F572 HydrophobicContact CG2-CE2 4.03Å; I505-F572 HydrophobicContact CG2-CZ 3.56Å; I505-I592 HydrophobicContact CG1-CD1 4.16Å
506	K	95.7	Very high	95.9	Very high	133 Å²	133	32.7 Å²	32.7	58%	0.578	15%	0.154	S	C	*	.	H	α-helix	trans	-69.1	-48	-178.7	-70.6	176.8	-177.9	173	0	112.1	I502 R503 A504 Q508 N509 F544	I502-K506 HydrophobicContact CG2-CD 4.04Å; I502-K506 HydrophobicContact CG2-CG 4.5Å; I502-K506 WeakPolarHBondContact O-CG 3.31Å; I502-K506 PolarHBondContact O-N 3.44Å; R503-K506 PolarHBondContact O-N 3.1Å; A504-K506 PolarHBondContact O-N 3.45Å; K506-Q508 VanDerWaalsContact C-N 3.33Å; K506-Q508 PolarHBondContact O-N 3.05Å; K506-N509 PolarHBondContact O-N 3Å; K506-F544 HydrophobicContact CG-CZ 4.47Å
507	Q	93.9	Very high	95.8	Very high	96 Å²	96	32.8 Å²	32.8	45%	0.449	16%	0.155	S	C	.	.	H	α-helix	trans	-64.4	-39.2	-174.9	-175.8	67.3	2.3	0	0	112.1	R503 N681 L682 T683	R503-Q507 WeakPolarHBondContact O-CB 3.4Å; R503-Q507 PolarHBondContact O-N 2.92Å; Q507-N681 WeakPolarHBondContact CG-O 3.27Å; Q507-L682 HydrophobicContact CG-CB 4.42Å; Q507-L682 WeakPolarHBondContact CG-O 3.41Å; Q507-T683 PolarHBondContact NE2-OG1 3.49Å
508	Q	90.9	Very high	95.7	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.154	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.3	179.8	-57.3	-55.2	-42.5	0	0	113.1	A504 K506 M510 Y590 L618 I620 L682 I684	A504-Q508 WeakPolarHBondContact O-CB 3.23Å; A504-Q508 PolarHBondContact O-N 3.12Å; K506-Q508 VanDerWaalsContact C-N 3.33Å; K506-Q508 PolarHBondContact O-N 3.05Å; Q508-M510 VanDerWaalsContact C-N 3.26Å; Q508-M510 HydrophobicContact CB-CE 3.78Å; Q508-M510 HydrophobicContact CB-CG 3.82Å; Q508-M510 HydrophobicContact CG-CE 3.94Å; Q508-M510 PolarHBondContact O-N 3.44Å; Q508-Y590 HydrophobicContact CB-CE1 4.48Å; Q508-L618 HydrophobicContact CG-CD2 4.17Å; Q508-I620 HydrophobicContact CG-CD1 4.11Å; Q508-L682 PolarHBondContact NE2-O 3.1Å; Q508-I684 HydrophobicContact CG-CD1 4.23Å
509	N	91.6	Very high	95.5	Very high	140 Å²	140	35.9 Å²	35.9	75%	0.749	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	50.6	-175.2	-169.8	43.5	0	0	0	112	I505 K506 D511	I505-N509 WeakPolarHBondContact O-CA 2.97Å; I505-N509 PolarHBondContact O-N 3.29Å; I505-N509 VanDerWaalsContact O-N 3.12Å; K506-N509 PolarHBondContact O-N 3Å; N509-D511 PolarHBondContact O-N 3.07Å
510	M	93.7	Very high	95.2	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.049	17%	0.173	C	C	.	.			trans	-70.1	119.7	-173.3	-60.3	-172.4	177.3	0	0	110.7	A504 I505 Q508 A513 F572 Y590 I592 I620	A504-M510 HydrophobicContact CB-CE 4.25Å; I505-M510 HydrophobicContact CG1-SD 4.22Å; I505-M510 HydrophobicContact CG2-CB 4.5Å; I505-M510 PolarHBondContact O-N 3.47Å; Q508-M510 VanDerWaalsContact C-N 3.26Å; Q508-M510 HydrophobicContact CB-CE 3.78Å; Q508-M510 HydrophobicContact CB-CG 3.82Å; Q508-M510 HydrophobicContact CG-CE 3.94Å; Q508-M510 PolarHBondContact O-N 3.44Å; M510-A513 HydrophobicContact SD-CB 4.16Å; M510-F572 HydrophobicContact CB-CE1 4.04Å; M510-F572 HydrophobicContact CB-CZ 4.28Å; M510-Y590 HydrophobicContact CB-CD2 3.79Å; M510-Y590 HydrophobicContact CB-CE2 4.15Å; M510-Y590 HydrophobicContact CB-CG 4.32Å; M510-Y590 HydrophobicContact CE-CD1 3.98Å; M510-Y590 HydrophobicContact CE-CG 4.15Å; M510-Y590 HydrophobicContact CG-CD1 4.15Å; M510-Y590 HydrophobicContact CG-CD2 3.69Å; M510-Y590 HydrophobicContact CG-CE1 4.45Å; M510-Y590 HydrophobicContact CG-CE2 4.04Å; M510-Y590 HydrophobicContact CG-CG 3.78Å; M510-Y590 HydrophobicContact SD-CD1 4.36Å; M510-Y590 HydrophobicContact SD-CD2 4.36Å; M510-Y590 HydrophobicContact SD-CG 3.95Å; M510-I592 HydrophobicContact CE-CD1 4.18Å; M510-I592 HydrophobicContact CE-CG1 4.19Å; M510-I592 HydrophobicContact SD-CD1 3.76Å; M510-I592 HydrophobicContact SD-CG1 4.15Å; M510-I620 HydrophobicContact CE-CD1 3.62Å
511	D	90.7	Very high	95.1	Very high	96 Å²	96	40 Å²	40	51%	0.513	19%	0.19	S	C	.	.	S	Bend	trans	-99.7	-17.2	175	64.8	-21	0	0	0	112.4	N509 H571	N509-D511 PolarHBondContact O-N 3.07Å; D511-H571 WeakPolarHBondContact O-CA 3.07Å; D511-H571 WeakPolarHBondContact O-CB 3.49Å; D511-H571 PolarHBondContact O-ND1 2.94Å
512	R	94.1	Very high	95	Very high	51 Å²	51	41.9 Å²	41.9	19%	0.192	20%	0.2	C	C	.	.	S	Bend	trans	-153.8	112.5	178.4	-128.6	-179.7	157.3	-168	-0.4	111.6	F565 K566 H571 P589 Y590	R512-F565 HydrophobicContact CG-CE2 4.18Å; R512-F565 HydrophobicContact CG-CZ 4.31Å; R512-F565 PolarHBondContact NH2-O 2.63Å; R512-K566 PolarHBondContact NH2-O 3.15Å; R512-H571 CarbonylContact C-O 3.15Å; R512-H571 VanDerWaalsContact CA-O 3.24Å; R512-H571 WeakPolarHBondContact CA-O 3.28Å; R512-P589 HydrophobicContact CB-CG 3.95Å; R512-P589 VanDerWaalsContact O-CD 3.29Å; R512-P589 WeakPolarHBondContact O-CD 3.38Å; R512-P589 VanDerWaalsContact O-CG 3.25Å; R512-P589 WeakPolarHBondContact O-CG 3.46Å; R512-Y590 WeakPolarHBondContact O-CD2 3.45Å; R512-Y590 PolarHBondContact O-N 2.85Å
513	A	96.1	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.2	177.2	0	0	0	0	0	113.2	M510 I515 H571 F572 L573 Y590	M510-A513 HydrophobicContact SD-CB 4.16Å; A513-I515 HydrophobicContact CB-CG1 4.46Å; A513-H571 PolarHBondContact N-O 3.32Å; A513-F572 HydrophobicContact CB-CD1 3.63Å; A513-F572 HydrophobicContact CB-CE1 3.74Å; A513-F572 WeakPolarHBondContact O-CA 3.41Å; A513-L573 PolarHBondContact O-N 3.31Å; A513-L573 VanDerWaalsContact O-N 3.1Å; A513-Y590 VanDerWaalsContact CA-O 3.27Å; A513-Y590 WeakPolarHBondContact CA-O 3.44Å
514	L	96.3	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.8	166.7	-159.1	132.3	0	0	0	108.2	F516 L573 C575 I585 L588 Y590 V591 I592	L514-F516 HydrophobicContact CD2-CD1 4.33Å; L514-F516 HydrophobicContact CD2-CD2 3.74Å; L514-F516 HydrophobicContact CD2-CE1 3.8Å; L514-F516 HydrophobicContact CD2-CE2 3.09Å; L514-F516 HydrophobicContact CD2-CG 4.32Å; L514-F516 HydrophobicContact CD2-CZ 3.13Å; L514-L573 HydrophobicContact CD1-CB 4.48Å; L514-L573 HydrophobicContact CD1-CD2 3.85Å; L514-L573 HydrophobicContact CD1-CG 4.45Å; L514-C575 WeakPolarHBondContact CD2-SG 3.25Å; L514-I585 HydrophobicContact CD1-CD1 3.58Å; L514-L588 HydrophobicContact CB-CD2 3.65Å; L514-L588 HydrophobicContact CD1-CD2 4.37Å; L514-Y590 PolarHBondContact N-O 3.33Å; L514-V591 HydrophobicContact CB-CG2 4.23Å; L514-V591 CarbonylContact O-C 3.55Å; L514-V591 VanDerWaalsContact O-CA 3.29Å; L514-V591 WeakPolarHBondContact O-CA 3.44Å; L514-I592 PolarHBondContact O-N 3.18Å
515	I	98.2	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.6	-171.5	-54.9	179.5	0	0	0	108.4	V501 I505 A513 L526 F530 F572 L573 I574 C575 I592 V594	V501-I515 HydrophobicContact CG1-CD1 4.27Å; I505-I515 HydrophobicContact CD1-CD1 4.33Å; A513-I515 HydrophobicContact CB-CG1 4.46Å; I515-L526 HydrophobicContact CG2-CD2 3.66Å; I515-F530 HydrophobicContact CD1-CE2 4.11Å; I515-F530 HydrophobicContact CD1-CZ 3.97Å; I515-F572 HydrophobicContact CD1-CB 4Å; I515-F572 HydrophobicContact CD1-CD1 4.04Å; I515-F572 HydrophobicContact CD1-CG 4.04Å; I515-L573 PolarHBondContact N-O 2.9Å; I515-I574 HydrophobicContact CB-CG1 4.28Å; I515-I574 HydrophobicContact CD1-CG1 4.43Å; I515-I574 CarbonylContact O-C 3.55Å; I515-I574 WeakPolarHBondContact O-CA 3.29Å; I515-C575 PolarHBondContact O-N 2.8Å; I515-I592 CarbonylContact C-O 3.58Å; I515-I592 WeakPolarHBondContact CA-O 3.42Å; I515-I592 HydrophobicContact CD1-CD1 4.42Å; I515-I592 HydrophobicContact CG1-CB 4.34Å; I515-I592 HydrophobicContact CG1-CD1 4.36Å; I515-I592 HydrophobicContact CG2-CB 4.3Å; I515-V594 HydrophobicContact CG2-CG2 3.37Å
516	F	98	Very high	95.2	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.2	-179.5	-73.3	-82.2	0	0	0	111.5	L514 C575 A580 V591 I592 V594 R606 R609	L514-F516 HydrophobicContact CD2-CD1 4.33Å; L514-F516 HydrophobicContact CD2-CD2 3.74Å; L514-F516 HydrophobicContact CD2-CE1 3.8Å; L514-F516 HydrophobicContact CD2-CE2 3.09Å; L514-F516 HydrophobicContact CD2-CG 4.32Å; L514-F516 HydrophobicContact CD2-CZ 3.13Å; F516-C575 WeakPolarHBondContact CA-O 3.46Å; F516-A580 HydrophobicContact CD1-CB 4.34Å; F516-A580 HydrophobicContact CE1-CB 3.38Å; F516-A580 HydrophobicContact CZ-CB 3.94Å; F516-V591 HydrophobicContact CD2-CG1 3.96Å; F516-V591 HydrophobicContact CE2-CG1 4.08Å; F516-V591 HydrophobicContact CE2-CG2 4.46Å; F516-I592 PolarHBondContact N-O 2.88Å; F516-V594 WeakPolarHBondContact O-CB 3.37Å; F516-V594 WeakPolarHBondContact O-CG2 3.25Å; F516-V594 PolarHBondContact O-N 3.32Å; F516-R606 HydrophobicContact CD1-CG 3.83Å; F516-R606 HydrophobicContact CD2-CB 3.81Å; F516-R606 HydrophobicContact CD2-CG 3.78Å; F516-R606 HydrophobicContact CE1-CB 4.44Å; F516-R606 HydrophobicContact CE1-CG 3.7Å; F516-R606 HydrophobicContact CE2-CB 3.51Å; F516-R606 HydrophobicContact CE2-CG 3.66Å; F516-R606 HydrophobicContact CG-CB 4.4Å; F516-R606 HydrophobicContact CG-CG 3.85Å; F516-R606 HydrophobicContact CZ-CB 3.87Å; F516-R606 HydrophobicContact CZ-CG 3.62Å; F516-R609 HydrophobicContact CE2-CG 4.33Å; F516-R609 HydrophobicContact CZ-CG 4.13Å
517	C	97.2	Very high	95.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	18%	0.176	C	C	.	.			trans	-112.7	153.2	167.6	-57.3	0	0	0	0	109.8	D522 C575	C517-D522 HydrophobicContact CB-CB 3.79Å; C517-C575 PolarHBondContact N-O 3.08Å
518	R	94.1	Very high	95.4	Very high	37 Å²	37	35.7 Å²	35.7	14%	0.14	18%	0.177	C	C	.	.	S	Bend	trans	-69.2	-42.8	-179.6	-176.7	176.5	178.5	-88.9	-15.9	112.1	T595 D598 W631	R518-T595 HydrophobicContact CB-CG2 3.82Å; R518-T595 HydrophobicContact CG-CG2 4.49Å; R518-D598 IonicContact CZ-OD1 2.8Å; R518-D598 IonicContact CZ-OD2 3.68Å; R518-D598 IonicContact NE-OD1 3.13Å; R518-D598 PolarHBondContact NE-OD1 3.39Å; R518-D598 IonicContact NE-OD2 2.93Å; R518-D598 PolarHBondContact NE-OD2 3.18Å; R518-D598 IonicContact NH2-OD1 3.83Å; R518-D598 IonicContact NH2-OD2 3.43Å; R518-D598 PolarHBondContact NH2-OD2 3.09Å; R518-W631 PolarHBondContact NH1-O 2.91Å
519	T	93.5	Very high	95.8	Very high	36 Å²	36	35 Å²	35	22%	0.221	17%	0.173	C	C	.	.	S	Bend	trans	-118.8	157	-176.2	79.7	0	0	0	0	112.4	L521 D522 C523	T519-L521 PolarHBondContact O-N 3.34Å; T519-L521 PolarHBondContact OG1-N 3.47Å; T519-D522 WeakPolarHBondContact CB-OD2 3.45Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.37Å; T519-D522 PolarHBondContact N-OD2 3.46Å; T519-D522 PolarHBondContact O-N 3.4Å; T519-D522 PolarHBondContact OG1-N 2.86Å; T519-D522 VanDerWaalsContact OG1-N 3.12Å; T519-D522 PolarHBondContact OG1-OD2 2.87Å; T519-C523 PolarHBondContact O-N 3.28Å; T519-C523 VanDerWaalsContact O-N 3.1Å; T519-C523 PolarHBondContact O-SG 2.89Å; T519-C523 VanDerWaalsContact O-SG 3.38Å
520	K	92.2	Very high	96.1	Very high	70 Å²	70	28.3 Å²	28.3	30%	0.304	14%	0.137	S	C	.	.	H	α-helix	trans	-56.7	-35.6	170.2	48.2	174	175.1	-178.6	0	113.3	C523 D524 H550 D552	K520-C523 WeakPolarHBondContact O-CB 3.23Å; K520-C523 PolarHBondContact O-N 3.14Å; K520-D524 PolarHBondContact O-N 3.19Å; K520-H550 HydrophobicContact CB-CB 4.03Å; K520-H550 VanDerWaalsContact CB-ND1 3.26Å; K520-H550 WeakPolarHBondContact CB-ND1 3.21Å; K520-D552 HydrophobicContact CD-CB 3.93Å; K520-D552 VanDerWaalsContact CD-OD1 3.23Å; K520-D552 WeakPolarHBondContact CD-OD1 3.48Å; K520-D552 WeakPolarHBondContact CD-OD2 3.36Å; K520-D552 WeakPolarHBondContact CE-OD2 3.22Å; K520-D552 IonicContact NZ-OD1 3.45Å; K520-D552 PolarHBondContact NZ-OD1 2.88Å; K520-D552 IonicContact NZ-OD2 3.53Å; K520-D552 PolarHBondContact NZ-OD2 2.95Å
521	L	94.5	Very high	96.2	Very high	69 Å²	69	30.8 Å²	30.8	36%	0.361	15%	0.15	S	C	.	.	H	α-helix	trans	-67.7	-40.9	178.7	178.1	57.6	0	0	0	110.6	D471 T519 C523 D524 N525	D471-L521 HydrophobicContact CB-CD2 3.87Å; T519-L521 PolarHBondContact O-N 3.34Å; T519-L521 PolarHBondContact OG1-N 3.47Å; L521-C523 VanDerWaalsContact C-N 3.32Å; L521-C523 PolarHBondContact O-N 3.4Å; L521-D524 PolarHBondContact O-N 2.93Å; L521-N525 WeakPolarHBondContact O-CB 3.3Å; L521-N525 PolarHBondContact O-N 3.23Å; L521-N525 PolarHBondContact O-ND2 3.02Å
522	D	96.7	Very high	96.4	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.214	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-37.7	175.5	-58.5	-42.5	0	0	0	111.8	C517 T519 N525 L526	C517-D522 HydrophobicContact CB-CB 3.79Å; T519-D522 WeakPolarHBondContact CB-OD2 3.45Å; T519-D522 WeakPolarHBondContact CG2-OD2 3.37Å; T519-D522 PolarHBondContact N-OD2 3.46Å; T519-D522 PolarHBondContact O-N 3.4Å; T519-D522 PolarHBondContact OG1-N 2.86Å; T519-D522 VanDerWaalsContact OG1-N 3.12Å; T519-D522 PolarHBondContact OG1-OD2 2.87Å; D522-N525 PolarHBondContact O-N 2.79Å; D522-L526 WeakPolarHBondContact O-CB 3.49Å; D522-L526 PolarHBondContact O-N 3.49Å
523	C	97.6	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-50.5	172.3	-63.4	0	0	0	0	111.2	T519 K520 L521 L526 E527 C548 I574 C575	T519-C523 PolarHBondContact O-N 3.28Å; T519-C523 VanDerWaalsContact O-N 3.1Å; T519-C523 PolarHBondContact O-SG 2.89Å; T519-C523 VanDerWaalsContact O-SG 3.38Å; K520-C523 WeakPolarHBondContact O-CB 3.23Å; K520-C523 PolarHBondContact O-N 3.14Å; L521-C523 VanDerWaalsContact C-N 3.32Å; L521-C523 PolarHBondContact O-N 3.4Å; C523-L526 PolarHBondContact O-N 3.36Å; C523-E527 PolarHBondContact O-N 3.41Å; C523-C548 VanDerWaalsContact C-SG 3.57Å; C523-C548 PolarHBondContact O-SG 2.81Å; C523-I574 HydrophobicContact CB-CG2 3.82Å; C523-C575 VanDerWaalsContact SG-C 3.59Å
524	D	97.5	Very high	96.3	Very high	44 Å²	44	32.8 Å²	32.8	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-43.9	-179.4	-68.7	-25.8	0	0	0	111.6	K520 L521 L526 E527 Q528 H550 R553	K520-D524 PolarHBondContact O-N 3.19Å; L521-D524 PolarHBondContact O-N 2.93Å; D524-L526 VanDerWaalsContact C-N 3.33Å; D524-L526 PolarHBondContact O-N 2.98Å; D524-E527 PolarHBondContact O-N 2.89Å; D524-Q528 WeakPolarHBondContact O-CG 3.37Å; D524-Q528 PolarHBondContact O-N 3.5Å; D524-H550 IonicContact OD1-CD2 3.66Å; D524-H550 IonicContact OD1-CE1 3.2Å; D524-H550 PolarHBondContact OD1-CE1 2.96Å; D524-H550 IonicContact OD1-NE2 2.88Å; D524-H550 PolarHBondContact OD1-NE2 3.28Å; D524-H550 IonicContact OD2-CE1 3.5Å; D524-H550 IonicContact OD2-NE2 2.8Å; D524-R553 IonicContact OD1-CZ 3.6Å; D524-R553 IonicContact OD1-NE 3.95Å; D524-R553 PolarHBondContact OD1-NE 3.15Å; D524-R553 IonicContact OD1-NH2 3.61Å; D524-R553 PolarHBondContact OD1-NH2 2.76Å
525	N	97.8	Very high	96.3	Very high	8 Å²	8	33 Å²	33	4%	0.043	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-42.6	176.7	-76.4	-15.3	0	0	0	112	I468 Q469 T470 L521 D522 Q528 Y529	I468-N525 HydrophobicContact CG1-CB 4.28Å; Q469-N525 VanDerWaalsContact O-CB 3.23Å; Q469-N525 WeakPolarHBondContact O-CB 3.11Å; Q469-N525 PolarHBondContact O-ND2 3.3Å; T470-N525 PolarHBondContact O-ND2 3.38Å; L521-N525 WeakPolarHBondContact O-CB 3.3Å; L521-N525 PolarHBondContact O-N 3.23Å; L521-N525 PolarHBondContact O-ND2 3.02Å; D522-N525 PolarHBondContact O-N 2.79Å; N525-Q528 PolarHBondContact O-N 3.27Å; N525-Y529 PolarHBondContact O-N 3.11Å
526	L	98.3	Very high	96.2	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-69.6	-39.8	178.1	-173.4	62.8	0	0	0	112.1	I468 V501 I515 D522 C523 D524 Y529 F530 I574 V594	I468-L526 HydrophobicContact CD1-CB 4.1Å; I468-L526 HydrophobicContact CD1-CD1 3.81Å; V501-L526 HydrophobicContact CB-CD1 4.5Å; V501-L526 HydrophobicContact CG1-CD1 4.23Å; V501-L526 HydrophobicContact CG1-CD2 4.4Å; I515-L526 HydrophobicContact CG2-CD2 3.66Å; D522-L526 WeakPolarHBondContact O-CB 3.49Å; D522-L526 PolarHBondContact O-N 3.49Å; C523-L526 PolarHBondContact O-N 3.36Å; D524-L526 VanDerWaalsContact C-N 3.33Å; D524-L526 PolarHBondContact O-N 2.98Å; L526-Y529 PolarHBondContact O-N 3.34Å; L526-F530 HydrophobicContact CD1-CD1 4.14Å; L526-F530 HydrophobicContact CD1-CE1 3.61Å; L526-F530 HydrophobicContact CD1-CZ 4.32Å; L526-F530 HydrophobicContact CG-CD1 4.42Å; L526-F530 HydrophobicContact CG-CE1 4.01Å; L526-F530 HydrophobicContact CG-CZ 4.38Å; L526-F530 WeakPolarHBondContact O-CD1 3.47Å; L526-F530 PolarHBondContact O-N 3.06Å; L526-I574 HydrophobicContact CB-CD1 4.22Å; L526-I574 HydrophobicContact CD2-CD1 4.09Å; L526-I574 HydrophobicContact CD2-CG1 4.24Å; L526-I574 HydrophobicContact CD2-CG2 4.09Å; L526-I574 HydrophobicContact CG-CD1 3.94Å; L526-V594 HydrophobicContact CD2-CG2 4.27Å
527	E	97.9	Very high	96	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-45.5	173.6	-175.6	-174.8	-119.6	0	0	111.3	C523 D524 Y529 F530 I531 C548 R553 I574	C523-E527 PolarHBondContact O-N 3.41Å; D524-E527 PolarHBondContact O-N 2.89Å; E527-Y529 VanDerWaalsContact C-N 3.28Å; E527-Y529 PolarHBondContact O-N 2.89Å; E527-F530 PolarHBondContact O-N 3.32Å; E527-I531 HydrophobicContact CG-CD1 3.98Å; E527-I531 VanDerWaalsContact O-CG1 3.29Å; E527-I531 WeakPolarHBondContact O-CG1 3.29Å; E527-I531 PolarHBondContact O-N 2.84Å; E527-C548 VanDerWaalsContact CB-SG 3.59Å; E527-C548 PolarHBondContact OE1-N 2.98Å; E527-R553 IonicContact OE2-CZ 2.66Å; E527-R553 IonicContact OE2-NH1 3.05Å; E527-R553 IonicContact OE2-NH2 2.98Å; E527-R553 PolarHBondContact OE2-NH2 3.36Å; E527-I574 HydrophobicContact CB-CD1 4.12Å
528	Q	97.6	Very high	95.8	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-37.6	175.7	-69.4	-50.8	-52.5	0	0	112.1	D524 N525 I531 S532	D524-Q528 WeakPolarHBondContact O-CG 3.37Å; D524-Q528 PolarHBondContact O-N 3.5Å; N525-Q528 PolarHBondContact O-N 3.27Å; Q528-I531 PolarHBondContact O-N 3.02Å; Q528-S532 PolarHBondContact O-N 3.25Å
529	Y	97.7	Very high	95.7	Very high	18 Å²	18	46.3 Å²	46.3	7%	0.071	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-44.7	175.7	-171.7	-139.6	0	0	0	111.4	I468 E499 I502 N525 L526 E527 I531 S532 M533	I468-Y529 HydrophobicContact CB-CD1 3.88Å; I468-Y529 HydrophobicContact CB-CD2 4.42Å; I468-Y529 HydrophobicContact CB-CE1 4.37Å; I468-Y529 HydrophobicContact CB-CG 3.91Å; I468-Y529 HydrophobicContact CG1-CD1 4.41Å; I468-Y529 HydrophobicContact CG1-CG 4.32Å; E499-Y529 PolarHBondContact OE2-OH 3Å; I502-Y529 HydrophobicContact CD1-CD1 4.4Å; I502-Y529 HydrophobicContact CD1-CE1 4.19Å; I502-Y529 HydrophobicContact CG1-CD1 4.31Å; I502-Y529 HydrophobicContact CG1-CE1 3.64Å; N525-Y529 PolarHBondContact O-N 3.11Å; L526-Y529 PolarHBondContact O-N 3.34Å; E527-Y529 VanDerWaalsContact C-N 3.28Å; E527-Y529 PolarHBondContact O-N 2.89Å; Y529-I531 VanDerWaalsContact C-N 3.34Å; Y529-I531 PolarHBondContact O-N 3.46Å; Y529-S532 WeakPolarHBondContact O-CB 3.39Å; Y529-S532 PolarHBondContact O-N 2.91Å; Y529-S532 VanDerWaalsContact O-N 3.17Å; Y529-S532 PolarHBondContact O-OG 3.27Å; Y529-M533 HydrophobicContact CD1-CE 3.89Å; Y529-M533 HydrophobicContact CD2-CE 4.27Å; Y529-M533 HydrophobicContact CE1-CE 3.89Å; Y529-M533 HydrophobicContact CE2-CE 4.25Å; Y529-M533 HydrophobicContact CE2-SD 4.46Å; Y529-M533 HydrophobicContact CG-CE 4.09Å; Y529-M533 WeakPolarHBondContact O-CE 3.39Å; Y529-M533 PolarHBondContact O-N 3.32Å
530	F	97.8	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-41.2	175.3	-78.6	25.9	0	0	0	111.8	V501 I502 I505 I515 L526 E527 S532 M533 G534 G535 F544 C546 F572	V501-F530 HydrophobicContact CG1-CE1 4.07Å; V501-F530 HydrophobicContact CG1-CZ 3.86Å; I502-F530 HydrophobicContact CD1-CD1 3.82Å; I502-F530 HydrophobicContact CD1-CE1 3.33Å; I502-F530 HydrophobicContact CD1-CZ 4.15Å; I505-F530 HydrophobicContact CD1-CE1 4.32Å; I505-F530 HydrophobicContact CD1-CE2 3.91Å; I505-F530 HydrophobicContact CD1-CZ 3.42Å; I505-F530 VanDerWaalsContact CD1-CZ 3.42Å; I515-F530 HydrophobicContact CD1-CE2 4.11Å; I515-F530 HydrophobicContact CD1-CZ 3.97Å; L526-F530 HydrophobicContact CD1-CD1 4.14Å; L526-F530 HydrophobicContact CD1-CE1 3.61Å; L526-F530 HydrophobicContact CD1-CZ 4.32Å; L526-F530 HydrophobicContact CG-CD1 4.42Å; L526-F530 HydrophobicContact CG-CE1 4.01Å; L526-F530 HydrophobicContact CG-CZ 4.38Å; L526-F530 WeakPolarHBondContact O-CD1 3.47Å; L526-F530 PolarHBondContact O-N 3.06Å; E527-F530 PolarHBondContact O-N 3.32Å; F530-S532 VanDerWaalsContact C-N 3.3Å; F530-S532 PolarHBondContact O-N 3.42Å; F530-M533 HydrophobicContact CD1-CE 4.02Å; F530-M533 CarbonylContact O-C 3.58Å; F530-M533 WeakPolarHBondContact O-CA 3.33Å; F530-M533 PolarHBondContact O-N 3.16Å; F530-G534 PolarHBondContact O-N 2.93Å; F530-G535 VanDerWaalsContact O-CA 3.3Å; F530-G535 WeakPolarHBondContact O-CA 3.37Å; F530-G535 PolarHBondContact O-N 3.27Å; F530-F544 HydrophobicContact CB-CB 4.1Å; F530-F544 HydrophobicContact CD2-CB 4.02Å; F530-F544 HydrophobicContact CD2-CD1 4.39Å; F530-F544 HydrophobicContact CE2-CD1 4.44Å; F530-F544 HydrophobicContact CG-CB 4.09Å; F530-F544 HydrophobicContact CG-CD1 4.48Å; F530-C546 HydrophobicContact CD2-CB 3.75Å; F530-C546 HydrophobicContact CE2-CB 4.35Å; F530-F572 HydrophobicContact CD2-CD2 4.05Å; F530-F572 HydrophobicContact CE2-CB 4.16Å; F530-F572 AromaticContact CE2-CD2 3.48Å; F530-F572 HydrophobicContact CE2-CD2 3.48Å; F530-F572 VanDerWaalsContact CE2-CD2 3.48Å; F530-F572 HydrophobicContact CE2-CE2 4.13Å; F530-F572 AromaticContact CE2-CG 3.97Å; F530-F572 HydrophobicContact CE2-CG 3.97Å
531	I	96.9	Very high	95.3	Very high	63 Å²	63	56.1 Å²	56.1	32%	0.323	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-42.1	174.4	-71.3	164.6	0	0	0	111	E527 Q528 Y529 M533 G534	E527-I531 HydrophobicContact CG-CD1 3.98Å; E527-I531 VanDerWaalsContact O-CG1 3.29Å; E527-I531 WeakPolarHBondContact O-CG1 3.29Å; E527-I531 PolarHBondContact O-N 2.84Å; Q528-I531 PolarHBondContact O-N 3.02Å; Y529-I531 VanDerWaalsContact C-N 3.34Å; Y529-I531 PolarHBondContact O-N 3.46Å; I531-M533 PolarHBondContact O-N 2.56Å; I531-G534 PolarHBondContact O-N 3Å
532	S	95	Very high	95.2	Very high	90 Å²	90	53.6 Å²	53.6	63%	0.629	28%	0.278	S	S	*	.	H	α-helix	trans	-62.3	-23.7	177.4	82.2	0	0	0	0	113.2	Q528 Y529 F530	Q528-S532 PolarHBondContact O-N 3.25Å; Y529-S532 WeakPolarHBondContact O-CB 3.39Å; Y529-S532 PolarHBondContact O-N 2.91Å; Y529-S532 VanDerWaalsContact O-N 3.17Å; Y529-S532 PolarHBondContact O-OG 3.27Å; F530-S532 VanDerWaalsContact C-N 3.3Å; F530-S532 PolarHBondContact O-N 3.42Å
533	M	93.9	Very high	95.1	Very high	60 Å²	60	55.6 Å²	55.6	30%	0.296	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	14.5	173.9	-66	-177.9	-71.7	0	0	113.2	I502 Y529 F530 I531 F544	I502-M533 HydrophobicContact CD1-CE 3.24Å; I502-M533 HydrophobicContact CD1-SD 4.24Å; I502-M533 HydrophobicContact CG1-CE 3.74Å; I502-M533 HydrophobicContact CG1-SD 4.26Å; I502-M533 HydrophobicContact CG2-SD 4.47Å; Y529-M533 HydrophobicContact CD1-CE 3.89Å; Y529-M533 HydrophobicContact CD2-CE 4.27Å; Y529-M533 HydrophobicContact CE1-CE 3.89Å; Y529-M533 HydrophobicContact CE2-CE 4.25Å; Y529-M533 HydrophobicContact CE2-SD 4.46Å; Y529-M533 HydrophobicContact CG-CE 4.09Å; Y529-M533 WeakPolarHBondContact O-CE 3.39Å; Y529-M533 PolarHBondContact O-N 3.32Å; F530-M533 HydrophobicContact CD1-CE 4.02Å; F530-M533 CarbonylContact O-C 3.58Å; F530-M533 WeakPolarHBondContact O-CA 3.33Å; F530-M533 PolarHBondContact O-N 3.16Å; I531-M533 PolarHBondContact O-N 2.56Å; M533-F544 HydrophobicContact CB-CD2 4.07Å; M533-F544 HydrophobicContact CB-CE2 4.49Å
534	G	94.7	Very high	95	Very high	38 Å²	38	56.4 Å²	56.4	39%	0.392	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	11.3	178.3	0	0	0	0	0	114.7	F530 I531 S542	F530-G534 PolarHBondContact O-N 2.93Å; I531-G534 PolarHBondContact O-N 3Å; G534-S542 VanDerWaalsContact C-OG 3.32Å; G534-S542 WeakPolarHBondContact O-CB 3.15Å; G534-S542 PolarHBondContact O-OG 2.84Å
535	G	96.1	Very high	95.1	Very high	5 Å²	5	54.3 Å²	54.3	5%	0.052	29%	0.285	C	S	.	.			trans	-85.4	-156	177.6	0	0	0	0	0	115	F530 R539 S542 F544	F530-G535 VanDerWaalsContact O-CA 3.3Å; F530-G535 WeakPolarHBondContact O-CA 3.37Å; F530-G535 PolarHBondContact O-N 3.27Å; G535-R539 WeakPolarHBondContact O-CG 3.48Å; G535-S542 WeakPolarHBondContact CA-OG 3.5Å; G535-S542 PolarHBondContact N-OG 2.88Å; G535-F544 WeakPolarHBondContact CA-O 3.26Å
536	G	94.7	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	100.7	-173.6	176.3	0	0	0	0	0	116	N538 R539 F544 C546	G536-N538 VanDerWaalsContact C-N 3.32Å; G536-N538 PolarHBondContact O-N 3.06Å; G536-R539 PolarHBondContact O-N 2.85Å; G536-F544 PolarHBondContact N-O 2.83Å; G536-C546 CarbonylContact C-O 3.49Å; G536-C546 PolarHBondContact O-N 2.92Å
537	P	94.2	Very high	95	Very high	43 Å²	43	53.8 Å²	53.8	28%	0.279	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-14.8	-158.4	27.6	-38.3	0	0	0	115.5	C546 V547 K564	P537-C546 WeakPolarHBondContact CA-O 3.46Å; P537-C546 VanDerWaalsContact N-O 3.08Å; P537-V547 HydrophobicContact CB-CG1 3.8Å; P537-K564 PolarHBondContact O-NZ 2.82Å
538	N	92.8	Very high	94.9	Very high	123 Å²	123	53.4 Å²	53.4	66%	0.658	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	24.7	-176.3	-59.2	-39.3	0	0	0	111.2	G536 K564	G536-N538 VanDerWaalsContact C-N 3.32Å; G536-N538 PolarHBondContact O-N 3.06Å; N538-K564 PolarHBondContact OD1-NZ 2.86Å
539	R	92	Very high	94.6	Very high	156 Å²	156	48.7 Å²	48.7	59%	0.589	26%	0.259	S	S	*	.			trans	-118.8	56.4	-178.2	-66.6	-62.7	-171.9	-125.6	0.9	110.7	G535 G536 D541 S542 S545	G535-R539 WeakPolarHBondContact O-CG 3.48Å; G536-R539 PolarHBondContact O-N 2.85Å; R539-D541 PolarHBondContact O-N 2.85Å; R539-D541 VanDerWaalsContact O-N 3.1Å; R539-S542 WeakPolarHBondContact O-CB 3.37Å; R539-S542 PolarHBondContact O-N 2.74Å; R539-S545 WeakPolarHBondContact O-CB 3.18Å
540	R	87	Confident	94.3	Very high	151 Å²	151	47.9 Å²	47.9	57%	0.57	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-40.2	-171.8	-174.5	171.8	-169	-172.8	4.8	114.3	S542 E569	R540-S542 VanDerWaalsContact C-N 3.28Å; R540-S542 PolarHBondContact O-N 2.87Å; R540-E569 WeakPolarHBondContact CG-O 3.4Å
541	D	89.7	Confident	93.5	Very high	161 Å²	161	51.9 Å²	51.9	86%	0.861	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.8	-178.1	-50.3	-45.8	0	0	0	113.7	R539	R539-D541 PolarHBondContact O-N 2.85Å; R539-D541 VanDerWaalsContact O-N 3.1Å
542	S	94	Very high	93	Very high	16 Å²	16	53.4 Å²	53.4	11%	0.112	29%	0.292	C	S	.	.	S	Bend	trans	-77.6	134.9	177.1	179.6	0	0	0	0	110.1	G534 G535 R539 R540 F544 S545 H571	G534-S542 VanDerWaalsContact C-OG 3.32Å; G534-S542 WeakPolarHBondContact O-CB 3.15Å; G534-S542 PolarHBondContact O-OG 2.84Å; G535-S542 WeakPolarHBondContact CA-OG 3.5Å; G535-S542 PolarHBondContact N-OG 2.88Å; R539-S542 WeakPolarHBondContact O-CB 3.37Å; R539-S542 PolarHBondContact O-N 2.74Å; R540-S542 VanDerWaalsContact C-N 3.28Å; R540-S542 PolarHBondContact O-N 2.87Å; S542-F544 PolarHBondContact O-N 2.86Å; S542-F544 PolarHBondContact OG-N 3.26Å; S542-S545 WeakPolarHBondContact O-CB 3.46Å; S542-S545 PolarHBondContact O-N 3Å; S542-S545 PolarHBondContact O-OG 2.93Å; S542-H571 PolarHBondContact O-CD2 3.17Å
543	P	93.7	Very high	92.7	Very high	81 Å²	81	51.3 Å²	51.3	53%	0.526	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.7	174.3	28.1	-35.4	0	0	0	112.9	F572	P543-F572 WeakPolarHBondContact O-CE2 3.42Å
544	F	96.7	Very high	92.3	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.075	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	24.8	176.7	-59.2	-70.8	0	0	0	112.8	I502 I505 K506 F530 M533 G535 G536 S542 C546 F572	I502-F544 HydrophobicContact CD1-CD1 4.16Å; I502-F544 HydrophobicContact CD1-CE1 3.84Å; I502-F544 HydrophobicContact CG2-CE1 4.13Å; I502-F544 HydrophobicContact CG2-CZ 4.01Å; I505-F544 HydrophobicContact CB-CE1 4.43Å; I505-F544 HydrophobicContact CD1-CD1 4.4Å; I505-F544 HydrophobicContact CD1-CE1 4.37Å; I505-F544 HydrophobicContact CG2-CD1 4.43Å; I505-F544 HydrophobicContact CG2-CE1 3.87Å; K506-F544 HydrophobicContact CG-CZ 4.47Å; F530-F544 HydrophobicContact CB-CB 4.1Å; F530-F544 HydrophobicContact CD2-CB 4.02Å; F530-F544 HydrophobicContact CD2-CD1 4.39Å; F530-F544 HydrophobicContact CE2-CD1 4.44Å; F530-F544 HydrophobicContact CG-CB 4.09Å; F530-F544 HydrophobicContact CG-CD1 4.48Å; M533-F544 HydrophobicContact CB-CD2 4.07Å; M533-F544 HydrophobicContact CB-CE2 4.49Å; G535-F544 WeakPolarHBondContact CA-O 3.26Å; G536-F544 PolarHBondContact N-O 2.83Å; S542-F544 PolarHBondContact O-N 2.86Å; S542-F544 PolarHBondContact OG-N 3.26Å; F544-C546 PolarHBondContact O-N 2.95Å; F544-F572 HydrophobicContact CD1-CE2 4.48Å
545	S	98	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.			trans	-60.5	124.8	174.5	68.6	0	0	0	0	110.5	R539 S542 V570 H571 F572	R539-S545 WeakPolarHBondContact O-CB 3.18Å; S542-S545 WeakPolarHBondContact O-CB 3.46Å; S542-S545 PolarHBondContact O-N 3Å; S542-S545 PolarHBondContact O-OG 2.93Å; S545-V570 WeakPolarHBondContact OG-CA 3.17Å; S545-H571 PolarHBondContact O-N 2.86Å; S545-H571 PolarHBondContact OG-CD2 3.34Å; S545-H571 PolarHBondContact OG-N 2.71Å; S545-F572 PolarHBondContact O-N 3.11Å
546	C	97.9	Very high	91.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162	-170.7	68.6	0	0	0	0	113.3	F530 G536 P537 F544 F572 I574	F530-C546 HydrophobicContact CD2-CB 3.75Å; F530-C546 HydrophobicContact CE2-CB 4.35Å; G536-C546 CarbonylContact C-O 3.49Å; G536-C546 PolarHBondContact O-N 2.92Å; P537-C546 WeakPolarHBondContact CA-O 3.46Å; P537-C546 VanDerWaalsContact N-O 3.08Å; F544-C546 PolarHBondContact O-N 2.95Å; C546-F572 CarbonylContact C-O 3.59Å; C546-F572 WeakPolarHBondContact CA-O 3.39Å; C546-F572 HydrophobicContact CB-CB 3.87Å; C546-I574 HydrophobicContact CB-CD1 4.21Å
547	V	97.1	Very high	90.9	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.6	172.9	-69.8	0	0	0	0	110.3	P537 N561 K564 F565 V570 F572 L573 I574	P537-V547 HydrophobicContact CB-CG1 3.8Å; V547-N561 HydrophobicContact CB-CB 3.74Å; V547-N561 HydrophobicContact CG1-CB 4.16Å; V547-N561 HydrophobicContact CG2-CB 3.86Å; V547-K564 HydrophobicContact CG1-CD 4.25Å; V547-F565 HydrophobicContact CG2-CB 4.47Å; V547-V570 HydrophobicContact CG1-CG1 4.18Å; V547-V570 HydrophobicContact CG1-CG2 4.1Å; V547-V570 HydrophobicContact CG2-CG2 3.84Å; V547-F572 PolarHBondContact N-O 2.84Å; V547-L573 HydrophobicContact CG2-CD1 3.64Å; V547-I574 PolarHBondContact O-N 2.99Å
548	C	95.6	Very high	90.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	145.8	174.3	-88.9	0	0	0	0	114.3	C523 E527 N561 I574	C523-C548 VanDerWaalsContact C-SG 3.57Å; C523-C548 PolarHBondContact O-SG 2.81Å; E527-C548 VanDerWaalsContact CB-SG 3.59Å; E527-C548 PolarHBondContact OE1-N 2.98Å; C548-N561 PolarHBondContact O-ND2 2.91Å; C548-I574 CarbonylContact C-O 3.46Å; C548-I574 WeakPolarHBondContact CA-O 3.35Å
549	L	91.6	Very high	90.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	98.7	173.5	-170.3	76.7	0	0	0	111	R558 L573 I574 C575 T576 A579 I583	L549-R558 HydrophobicContact CD1-CB 3.52Å; L549-R558 HydrophobicContact CD1-CG 3.87Å; L549-R558 WeakPolarHBondContact CD1-O 3.08Å; L549-L573 HydrophobicContact CB-CD1 3.82Å; L549-L573 HydrophobicContact CD2-CD2 4.38Å; L549-I574 PolarHBondContact N-O 3.29Å; L549-C575 HydrophobicContact CB-CB 4.1Å; L549-C575 WeakPolarHBondContact O-CA 3.4Å; L549-C575 VanDerWaalsContact O-CB 3.28Å; L549-C575 WeakPolarHBondContact O-CB 3.38Å; L549-T576 PolarHBondContact O-N 3.44Å; L549-A579 WeakPolarHBondContact CD2-O 3.47Å; L549-A579 HydrophobicContact CG-CB 4.16Å; L549-A579 VanDerWaalsContact O-CB 3.22Å; L549-A579 WeakPolarHBondContact O-CB 3.2Å; L549-I583 HydrophobicContact CD2-CD1 3.3Å
550	H	90.4	Very high	90.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-151.8	173.5	175.5	58.1	89.2	0	0	0	110.3	K520 D524 D552 R553 R558 T576	K520-H550 HydrophobicContact CB-CB 4.03Å; K520-H550 VanDerWaalsContact CB-ND1 3.26Å; K520-H550 WeakPolarHBondContact CB-ND1 3.21Å; D524-H550 IonicContact OD1-CD2 3.66Å; D524-H550 IonicContact OD1-CE1 3.2Å; D524-H550 PolarHBondContact OD1-CE1 2.96Å; D524-H550 IonicContact OD1-NE2 2.88Å; D524-H550 PolarHBondContact OD1-NE2 3.28Å; D524-H550 IonicContact OD2-CE1 3.5Å; D524-H550 IonicContact OD2-NE2 2.8Å; H550-D552 VanDerWaalsContact C-N 3.26Å; H550-D552 PolarHBondContact ND1-N 3.1Å; H550-D552 PolarHBondContact O-N 2.79Å; H550-D552 VanDerWaalsContact O-N 3.14Å; H550-R553 WeakPolarHBondContact NE2-CG 3.43Å; H550-R553 PolarHBondContact NE2-NE 2.88Å; H550-R553 PolarHBondContact O-N 3.33Å; H550-R558 WeakPolarHBondContact O-CD 3.38Å; H550-T576 HydrophobicContact CB-CG2 3.96Å
551	S	81.6	Confident	90.4	Very high	83 Å²	83	46 Å²	46	58%	0.58	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.9	-170	61.3	0	0	0	0	116.4
552	D	86.1	Confident	90.4	Very high	95 Å²	95	39.3 Å²	39.3	51%	0.508	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13	-175.8	-80.3	33.1	0	0	0	112.8	K520 H550	K520-D552 HydrophobicContact CD-CB 3.93Å; K520-D552 VanDerWaalsContact CD-OD1 3.23Å; K520-D552 WeakPolarHBondContact CD-OD1 3.48Å; K520-D552 WeakPolarHBondContact CD-OD2 3.36Å; K520-D552 WeakPolarHBondContact CE-OD2 3.22Å; K520-D552 IonicContact NZ-OD1 3.45Å; K520-D552 PolarHBondContact NZ-OD1 2.88Å; K520-D552 IonicContact NZ-OD2 3.53Å; K520-D552 PolarHBondContact NZ-OD2 2.95Å; H550-D552 VanDerWaalsContact C-N 3.26Å; H550-D552 PolarHBondContact ND1-N 3.1Å; H550-D552 PolarHBondContact O-N 2.79Å; H550-D552 VanDerWaalsContact O-N 3.14Å
553	R	88.9	Confident	90.2	Very high	46 Å²	46	42.6 Å²	42.6	17%	0.174	24%	0.244	C	C	.	.	S	Bend	trans	-73.3	143.4	170.4	-61.3	-49.5	-176.5	127.6	-4	110.4	D524 E527 H550 E557 R558	D524-R553 IonicContact OD1-CZ 3.6Å; D524-R553 IonicContact OD1-NE 3.95Å; D524-R553 PolarHBondContact OD1-NE 3.15Å; D524-R553 IonicContact OD1-NH2 3.61Å; D524-R553 PolarHBondContact OD1-NH2 2.76Å; E527-R553 IonicContact OE2-CZ 2.66Å; E527-R553 IonicContact OE2-NH1 3.05Å; E527-R553 IonicContact OE2-NH2 2.98Å; E527-R553 PolarHBondContact OE2-NH2 3.36Å; H550-R553 WeakPolarHBondContact NE2-CG 3.43Å; H550-R553 PolarHBondContact NE2-NE 2.88Å; H550-R553 PolarHBondContact O-N 3.33Å; R553-E557 IonicContact CZ-OE1 3.44Å; R553-E557 IonicContact NH1-OE1 2.75Å; R553-E557 PolarHBondContact NH1-OE1 3.42Å; R553-R558 HydrophobicContact CB-CG 3.54Å; R553-R558 WeakPolarHBondContact O-CD 3.29Å; R553-R558 PolarHBondContact O-NE 3.48Å
554	A	86.2	Confident	90.2	Very high	48 Å²	48	40.7 Å²	40.7	40%	0.397	23%	0.227	S	C	.	.			trans	-63.6	145.8	-178.4	0	0	0	0	0	110.4	E557 R558	A554-E557 HydrophobicContact CB-CB 4.24Å; A554-E557 PolarHBondContact N-OE2 3.18Å; A554-E557 WeakPolarHBondContact O-CA 3.48Å; A554-E557 WeakPolarHBondContact O-CB 3.48Å; A554-E557 PolarHBondContact O-N 3.24Å; A554-R558 WeakPolarHBondContact O-CG 3.25Å; A554-R558 PolarHBondContact O-N 2.92Å
555	P	79.3	Confident	90.1	Very high	50 Å²	50	39.9 Å²	39.9	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-55.9	-42.6	-177.9	-24.5	34.8	0	0	0	114.9	E557 R558 K559	P555-E557 VanDerWaalsContact C-N 3.3Å; P555-E557 PolarHBondContact O-N 2.7Å; P555-R558 PolarHBondContact O-N 3.4Å; P555-K559 PolarHBondContact O-N 3.22Å
556	P	84.7	Confident	89.6	Confident	102 Å²	102	43.5 Å²	43.5	66%	0.662	24%	0.239	S	C	*	.	H	α-helix	trans	-61.2	-38.1	174.2	-23.3	34.9	0	0	0	112.9	A560	P556-A560 WeakPolarHBondContact O-CB 3.37Å; P556-A560 PolarHBondContact O-N 3.39Å
557	E	90.6	Very high	89.3	Confident	66 Å²	66	48.1 Å²	48.1	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-46.5	176.9	-176.5	-169.1	176.2	0	0	110.9	R553 A554 P555 K559 A560 N561	R553-E557 IonicContact CZ-OE1 3.44Å; R553-E557 IonicContact NH1-OE1 2.75Å; R553-E557 PolarHBondContact NH1-OE1 3.42Å; A554-E557 HydrophobicContact CB-CB 4.24Å; A554-E557 PolarHBondContact N-OE2 3.18Å; A554-E557 WeakPolarHBondContact O-CA 3.48Å; A554-E557 WeakPolarHBondContact O-CB 3.48Å; A554-E557 PolarHBondContact O-N 3.24Å; P555-E557 VanDerWaalsContact C-N 3.3Å; P555-E557 PolarHBondContact O-N 2.7Å; E557-K559 VanDerWaalsContact C-N 3.31Å; E557-K559 PolarHBondContact O-N 3.19Å; E557-A560 PolarHBondContact O-N 2.85Å; E557-A560 VanDerWaalsContact O-N 3.15Å; E557-N561 VanDerWaalsContact O-CB 3.3Å; E557-N561 WeakPolarHBondContact O-CB 3.47Å; E557-N561 VanDerWaalsContact O-CG 3.22Å; E557-N561 PolarHBondContact O-N 2.88Å; E557-N561 PolarHBondContact O-OD1 3.28Å
558	R	87.2	Confident	88.9	Confident	19 Å²	19	49.8 Å²	49.8	7%	0.072	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-45.3	176.7	-68.8	-173	-53.3	131.6	22.7	111.7	E299 L549 H550 R553 A554 P555 L562	E299-R558 IonicContact OE1-CZ 3.99Å; E299-R558 IonicContact OE1-NE 2.7Å; E299-R558 IonicContact OE1-NH1 2.92Å; E299-R558 PolarHBondContact OE1-NH1 3.42Å; E299-R558 IonicContact OE1-NH2 3.46Å; E299-R558 PolarHBondContact OE1-NH2 2.88Å; E299-R558 IonicContact OE2-NH1 3.19Å; L549-R558 HydrophobicContact CD1-CB 3.52Å; L549-R558 HydrophobicContact CD1-CG 3.87Å; L549-R558 WeakPolarHBondContact CD1-O 3.08Å; H550-R558 WeakPolarHBondContact O-CD 3.38Å; R553-R558 HydrophobicContact CB-CG 3.54Å; R553-R558 WeakPolarHBondContact O-CD 3.29Å; R553-R558 PolarHBondContact O-NE 3.48Å; A554-R558 WeakPolarHBondContact O-CG 3.25Å; A554-R558 PolarHBondContact O-N 2.92Å; P555-R558 PolarHBondContact O-N 3.4Å; R558-L562 WeakPolarHBondContact O-CB 3.11Å; R558-L562 PolarHBondContact O-N 2.97Å
559	K	84.6	Confident	88.8	Confident	124 Å²	124	53 Å²	53	54%	0.539	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-46.8	175.2	-173.5	170.5	-176.2	163.2	0	111.6	P555 E557 L562 Q563	P555-K559 PolarHBondContact O-N 3.22Å; E557-K559 VanDerWaalsContact C-N 3.31Å; E557-K559 PolarHBondContact O-N 3.19Å; K559-L562 PolarHBondContact O-N 2.9Å; K559-Q563 VanDerWaalsContact O-CG 3.31Å; K559-Q563 WeakPolarHBondContact O-CG 3.27Å; K559-Q563 PolarHBondContact O-N 3.3Å
560	A	91.8	Very high	89	Confident	46 Å²	46	53 Å²	53	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-44.5	178.2	0	0	0	0	0	112.2	P556 E557 Q563 K564	P556-A560 WeakPolarHBondContact O-CB 3.37Å; P556-A560 PolarHBondContact O-N 3.39Å; E557-A560 PolarHBondContact O-N 2.85Å; E557-A560 VanDerWaalsContact O-N 3.15Å; A560-Q563 PolarHBondContact O-N 2.79Å; A560-K564 WeakPolarHBondContact O-CG 3.32Å; A560-K564 PolarHBondContact O-N 2.89Å
561	N	93.1	Very high	89.3	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-45.5	178	-74.3	-1.8	0	0	0	111.2	V547 C548 E557 Q563 K564 F565	V547-N561 HydrophobicContact CB-CB 3.74Å; V547-N561 HydrophobicContact CG1-CB 4.16Å; V547-N561 HydrophobicContact CG2-CB 3.86Å; C548-N561 PolarHBondContact O-ND2 2.91Å; E557-N561 VanDerWaalsContact O-CB 3.3Å; E557-N561 WeakPolarHBondContact O-CB 3.47Å; E557-N561 VanDerWaalsContact O-CG 3.22Å; E557-N561 PolarHBondContact O-N 2.88Å; E557-N561 PolarHBondContact O-OD1 3.28Å; N561-Q563 VanDerWaalsContact C-N 3.31Å; N561-Q563 PolarHBondContact O-N 3.42Å; N561-K564 PolarHBondContact O-N 2.92Å; N561-F565 PolarHBondContact O-N 3.1Å
562	L	88.8	Confident	90.1	Very high	21 Å²	21	51.7 Å²	51.7	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-41.7	175.4	-179	58	0	0	0	111.7	R558 K559 F565 K566 L573 I583	R558-L562 WeakPolarHBondContact O-CB 3.11Å; R558-L562 PolarHBondContact O-N 2.97Å; K559-L562 PolarHBondContact O-N 2.9Å; L562-F565 PolarHBondContact O-N 3.1Å; L562-K566 HydrophobicContact CD1-CD 4.46Å; L562-K566 HydrophobicContact CD1-CG 4.32Å; L562-K566 HydrophobicContact CG-CD 4.31Å; L562-K566 WeakPolarHBondContact O-CB 3.32Å; L562-K566 WeakPolarHBondContact O-CG 2.99Å; L562-K566 PolarHBondContact O-N 3.06Å; L562-L573 HydrophobicContact CD1-CD2 4.14Å; L562-I583 HydrophobicContact CD1-CD1 4.18Å; L562-I583 HydrophobicContact CD1-CG2 3.71Å
563	Q	90.2	Very high	90.6	Very high	86 Å²	86	47.1 Å²	47.1	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-44.8	177.2	-69.3	-59.4	-30.6	0	0	112.3	K559 A560 N561 F565 K566 N567	K559-Q563 VanDerWaalsContact O-CG 3.31Å; K559-Q563 WeakPolarHBondContact O-CG 3.27Å; K559-Q563 PolarHBondContact O-N 3.3Å; A560-Q563 PolarHBondContact O-N 2.79Å; N561-Q563 VanDerWaalsContact C-N 3.31Å; N561-Q563 PolarHBondContact O-N 3.42Å; Q563-F565 VanDerWaalsContact C-N 3.26Å; Q563-F565 PolarHBondContact O-N 2.88Å; Q563-K566 PolarHBondContact O-N 3.36Å; Q563-K566 VanDerWaalsContact O-N 3.13Å; Q563-N567 WeakPolarHBondContact O-CB 3.12Å; Q563-N567 PolarHBondContact O-N 3.36Å; Q563-N567 PolarHBondContact O-ND2 3.08Å
564	K	93.7	Very high	91.1	Very high	41 Å²	41	45 Å²	45	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-53.2	-45.7	173.6	-75.9	-178.9	168.4	-167.7	0	111.6	P537 N538 V547 A560 N561 G568 E569 V570	P537-K564 PolarHBondContact O-NZ 2.82Å; N538-K564 PolarHBondContact OD1-NZ 2.86Å; V547-K564 HydrophobicContact CG1-CD 4.25Å; A560-K564 WeakPolarHBondContact O-CG 3.32Å; A560-K564 PolarHBondContact O-N 2.89Å; N561-K564 PolarHBondContact O-N 2.92Å; K564-G568 PolarHBondContact O-N 2.9Å; K564-E569 HydrophobicContact CB-CB 4.21Å; K564-E569 WeakPolarHBondContact O-CB 3.29Å; K564-E569 PolarHBondContact O-N 2.7Å; K564-V570 HydrophobicContact CB-CG2 4.2Å
565	F	93.5	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-43	177.7	-176.8	-105.2	0	0	0	112.6	R512 V547 N561 L562 Q563 N567 G568 V570 H571 L573 I585 L588	R512-F565 HydrophobicContact CG-CE2 4.18Å; R512-F565 HydrophobicContact CG-CZ 4.31Å; R512-F565 PolarHBondContact NH2-O 2.63Å; V547-F565 HydrophobicContact CG2-CB 4.47Å; N561-F565 PolarHBondContact O-N 3.1Å; L562-F565 PolarHBondContact O-N 3.1Å; Q563-F565 VanDerWaalsContact C-N 3.26Å; Q563-F565 PolarHBondContact O-N 2.88Å; F565-N567 VanDerWaalsContact C-N 3.31Å; F565-N567 PolarHBondContact O-N 3.36Å; F565-G568 PolarHBondContact O-N 3.2Å; F565-V570 HydrophobicContact CB-CG2 4.07Å; F565-V570 HydrophobicContact CD2-CG2 4.24Å; F565-H571 WeakPolarHBondContact CE2-O 3.13Å; F565-L573 HydrophobicContact CB-CB 4.31Å; F565-L573 HydrophobicContact CD1-CB 3.88Å; F565-L573 HydrophobicContact CD1-CD2 3.82Å; F565-L573 HydrophobicContact CD1-CG 4.45Å; F565-L573 HydrophobicContact CD2-CB 3.64Å; F565-L573 HydrophobicContact CE1-CB 4.04Å; F565-L573 HydrophobicContact CE1-CD2 4.26Å; F565-L573 HydrophobicContact CE2-CB 3.79Å; F565-L573 HydrophobicContact CG-CB 3.66Å; F565-L573 HydrophobicContact CG-CD2 4.21Å; F565-L573 HydrophobicContact CG-CG 4.42Å; F565-L573 HydrophobicContact CZ-CB 3.98Å; F565-I585 HydrophobicContact CD1-CD1 3.97Å; F565-I585 HydrophobicContact CD1-CG1 4.19Å; F565-I585 HydrophobicContact CE1-CD1 3.54Å; F565-I585 HydrophobicContact CE1-CG1 3.99Å; F565-I585 HydrophobicContact CE1-CG2 4.07Å; F565-L588 HydrophobicContact CE1-CD1 4.1Å; F565-L588 HydrophobicContact CZ-CD1 3.64Å
566	K	89.1	Confident	92.1	Very high	75 Å²	75	41.1 Å²	41.1	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-40	176.4	-78.6	-174.2	174.7	-161.3	0	112.2	R512 L562 Q563 G568 D584 I585	R512-K566 PolarHBondContact NH2-O 3.15Å; L562-K566 HydrophobicContact CD1-CD 4.46Å; L562-K566 HydrophobicContact CD1-CG 4.32Å; L562-K566 HydrophobicContact CG-CD 4.31Å; L562-K566 WeakPolarHBondContact O-CB 3.32Å; L562-K566 WeakPolarHBondContact O-CG 2.99Å; L562-K566 PolarHBondContact O-N 3.06Å; Q563-K566 PolarHBondContact O-N 3.36Å; Q563-K566 VanDerWaalsContact O-N 3.13Å; K566-G568 VanDerWaalsContact C-N 3.26Å; K566-G568 PolarHBondContact O-N 2.92Å; K566-D584 WeakPolarHBondContact CE-O 3.32Å; K566-D584 PolarHBondContact NZ-O 3.42Å; K566-I585 HydrophobicContact CG-CG1 4.49Å
567	N	90.6	Very high	92	Very high	97 Å²	97	37.5 Å²	37.5	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.7	178.7	-66.7	-10.4	0	0	0	114.1	Q563 F565 E569	Q563-N567 WeakPolarHBondContact O-CB 3.12Å; Q563-N567 PolarHBondContact O-N 3.36Å; Q563-N567 PolarHBondContact O-ND2 3.08Å; F565-N567 VanDerWaalsContact C-N 3.31Å; F565-N567 PolarHBondContact O-N 3.36Å; N567-E569 VanDerWaalsContact C-N 3.31Å; N567-E569 HydrophobicContact CB-CG 3.96Å; N567-E569 WeakPolarHBondContact CB-OE1 3.43Å; N567-E569 PolarHBondContact ND2-OE1 2.93Å
568	G	89.8	Confident	91.2	Very high	35 Å²	35	38.3 Å²	38.3	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	31.1	-175.1	0	0	0	0	0	113	K564 F565 K566 V570	K564-G568 PolarHBondContact O-N 2.9Å; F565-G568 PolarHBondContact O-N 3.2Å; K566-G568 VanDerWaalsContact C-N 3.26Å; K566-G568 PolarHBondContact O-N 2.92Å; G568-V570 VanDerWaalsContact C-N 3.34Å
569	E	93.5	Very high	90.4	Very high	69 Å²	69	37.6 Å²	37.6	32%	0.322	20%	0.202	S	C	.	.	S	Bend	trans	-82.3	-18.4	172	-63.6	171.7	-133.7	0	0	112.1	R540 K564 N567	R540-E569 WeakPolarHBondContact CG-O 3.4Å; K564-E569 HydrophobicContact CB-CB 4.21Å; K564-E569 WeakPolarHBondContact O-CB 3.29Å; K564-E569 PolarHBondContact O-N 2.7Å; N567-E569 VanDerWaalsContact C-N 3.31Å; N567-E569 HydrophobicContact CB-CG 3.96Å; N567-E569 WeakPolarHBondContact CB-OE1 3.43Å; N567-E569 PolarHBondContact ND2-OE1 2.93Å
570	V	96.3	Very high	89.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.176	C	C	.	.			trans	-137.7	148.1	173.8	-66.4	0	0	0	0	110.2	S545 V547 K564 F565 G568	S545-V570 WeakPolarHBondContact OG-CA 3.17Å; V547-V570 HydrophobicContact CG1-CG1 4.18Å; V547-V570 HydrophobicContact CG1-CG2 4.1Å; V547-V570 HydrophobicContact CG2-CG2 3.84Å; K564-V570 HydrophobicContact CB-CG2 4.2Å; F565-V570 HydrophobicContact CB-CG2 4.07Å; F565-V570 HydrophobicContact CD2-CG2 4.24Å; G568-V570 VanDerWaalsContact C-N 3.34Å
571	H	96.4	Very high	88.8	Confident	55 Å²	55	30.3 Å²	30.3	26%	0.255	16%	0.161	S	C	.	.	S	Bend	trans	-79.3	-32.4	-178.6	-64.7	-54.8	0	0	0	112.7	D511 R512 A513 S542 S545 F565	D511-H571 WeakPolarHBondContact O-CA 3.07Å; D511-H571 WeakPolarHBondContact O-CB 3.49Å; D511-H571 PolarHBondContact O-ND1 2.94Å; R512-H571 CarbonylContact C-O 3.15Å; R512-H571 VanDerWaalsContact CA-O 3.24Å; R512-H571 WeakPolarHBondContact CA-O 3.28Å; A513-H571 PolarHBondContact N-O 3.32Å; S542-H571 PolarHBondContact O-CD2 3.17Å; S545-H571 PolarHBondContact O-N 2.86Å; S545-H571 PolarHBondContact OG-CD2 3.34Å; S545-H571 PolarHBondContact OG-N 2.71Å; F565-H571 WeakPolarHBondContact CE2-O 3.13Å
572	F	97.9	Very high	87.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.6	-171.5	-53.6	-60.7	0	0	0	114	I505 M510 A513 I515 F530 P543 F544 S545 C546 V547	I505-F572 HydrophobicContact CB-CZ 4.25Å; I505-F572 HydrophobicContact CD1-CD2 4.28Å; I505-F572 HydrophobicContact CD1-CE1 4.12Å; I505-F572 HydrophobicContact CD1-CE2 3.75Å; I505-F572 HydrophobicContact CD1-CZ 3.7Å; I505-F572 HydrophobicContact CG1-CE1 4Å; I505-F572 HydrophobicContact CG1-CE2 4.26Å; I505-F572 HydrophobicContact CG1-CZ 3.7Å; I505-F572 HydrophobicContact CG2-CE2 4.03Å; I505-F572 HydrophobicContact CG2-CZ 3.56Å; M510-F572 HydrophobicContact CB-CE1 4.04Å; M510-F572 HydrophobicContact CB-CZ 4.28Å; A513-F572 HydrophobicContact CB-CD1 3.63Å; A513-F572 HydrophobicContact CB-CE1 3.74Å; A513-F572 WeakPolarHBondContact O-CA 3.41Å; I515-F572 HydrophobicContact CD1-CB 4Å; I515-F572 HydrophobicContact CD1-CD1 4.04Å; I515-F572 HydrophobicContact CD1-CG 4.04Å; F530-F572 HydrophobicContact CD2-CD2 4.05Å; F530-F572 HydrophobicContact CE2-CB 4.16Å; F530-F572 AromaticContact CE2-CD2 3.48Å; F530-F572 HydrophobicContact CE2-CD2 3.48Å; F530-F572 VanDerWaalsContact CE2-CD2 3.48Å; F530-F572 HydrophobicContact CE2-CE2 4.13Å; F530-F572 AromaticContact CE2-CG 3.97Å; F530-F572 HydrophobicContact CE2-CG 3.97Å; P543-F572 WeakPolarHBondContact O-CE2 3.42Å; F544-F572 HydrophobicContact CD1-CE2 4.48Å; S545-F572 PolarHBondContact O-N 3.11Å; C546-F572 CarbonylContact C-O 3.59Å; C546-F572 WeakPolarHBondContact CA-O 3.39Å; C546-F572 HydrophobicContact CB-CB 3.87Å; V547-F572 PolarHBondContact N-O 2.84Å
573	L	97.1	Very high	86.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.8	168.4	-178.5	62.6	0	0	0	108.7	A513 L514 I515 V547 L549 L562 F565 I583	A513-L573 PolarHBondContact O-N 3.31Å; A513-L573 VanDerWaalsContact O-N 3.1Å; L514-L573 HydrophobicContact CD1-CB 4.48Å; L514-L573 HydrophobicContact CD1-CD2 3.85Å; L514-L573 HydrophobicContact CD1-CG 4.45Å; I515-L573 PolarHBondContact N-O 2.9Å; V547-L573 HydrophobicContact CG2-CD1 3.64Å; L549-L573 HydrophobicContact CB-CD1 3.82Å; L549-L573 HydrophobicContact CD2-CD2 4.38Å; L562-L573 HydrophobicContact CD1-CD2 4.14Å; F565-L573 HydrophobicContact CB-CB 4.31Å; F565-L573 HydrophobicContact CD1-CB 3.88Å; F565-L573 HydrophobicContact CD1-CD2 3.82Å; F565-L573 HydrophobicContact CD1-CG 4.45Å; F565-L573 HydrophobicContact CD2-CB 3.64Å; F565-L573 HydrophobicContact CE1-CB 4.04Å; F565-L573 HydrophobicContact CE1-CD2 4.26Å; F565-L573 HydrophobicContact CE2-CB 3.79Å; F565-L573 HydrophobicContact CG-CB 3.66Å; F565-L573 HydrophobicContact CG-CD2 4.21Å; F565-L573 HydrophobicContact CG-CG 4.42Å; F565-L573 HydrophobicContact CZ-CB 3.98Å; L573-I583 HydrophobicContact CD2-CD1 4.2Å
574	I	98.1	Very high	85.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.6	178.6	-54.8	165.3	0	0	0	108.2	I515 C523 L526 E527 C546 V547 C548 L549	I515-I574 HydrophobicContact CB-CG1 4.28Å; I515-I574 HydrophobicContact CD1-CG1 4.43Å; I515-I574 CarbonylContact O-C 3.55Å; I515-I574 WeakPolarHBondContact O-CA 3.29Å; C523-I574 HydrophobicContact CB-CG2 3.82Å; L526-I574 HydrophobicContact CB-CD1 4.22Å; L526-I574 HydrophobicContact CD2-CD1 4.09Å; L526-I574 HydrophobicContact CD2-CG1 4.24Å; L526-I574 HydrophobicContact CD2-CG2 4.09Å; L526-I574 HydrophobicContact CG-CD1 3.94Å; E527-I574 HydrophobicContact CB-CD1 4.12Å; C546-I574 HydrophobicContact CB-CD1 4.21Å; V547-I574 PolarHBondContact O-N 2.99Å; C548-I574 CarbonylContact C-O 3.46Å; C548-I574 WeakPolarHBondContact CA-O 3.35Å; L549-I574 PolarHBondContact N-O 3.29Å
575	C	95.4	Very high	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	162.5	-169.9	58.9	0	0	0	0	114.6	L514 I515 F516 C517 C523 L549 A580	L514-C575 WeakPolarHBondContact CD2-SG 3.25Å; I515-C575 PolarHBondContact O-N 2.8Å; F516-C575 WeakPolarHBondContact CA-O 3.46Å; C517-C575 PolarHBondContact N-O 3.08Å; C523-C575 VanDerWaalsContact SG-C 3.59Å; L549-C575 HydrophobicContact CB-CB 4.1Å; L549-C575 WeakPolarHBondContact O-CA 3.4Å; L549-C575 VanDerWaalsContact O-CB 3.28Å; L549-C575 WeakPolarHBondContact O-CB 3.38Å; C575-A580 HydrophobicContact CB-CB 4.21Å
576	T	91.4	Very high	84.1	Confident	18 Å²	18	32 Å²	32	11%	0.11	18%	0.181	C	C	.	.			trans	-96.9	159.6	167.1	61.6	0	0	0	0	110.6	L549 H550 V578 A579 A580	L549-T576 PolarHBondContact O-N 3.44Å; H550-T576 HydrophobicContact CB-CG2 3.96Å; T576-V578 PolarHBondContact O-N 2.91Å; T576-A579 PolarHBondContact O-N 2.89Å; T576-A579 VanDerWaalsContact O-N 3.14Å; T576-A580 WeakPolarHBondContact O-CB 3.48Å; T576-A580 PolarHBondContact O-N 2.71Å
577	D	83.7	Confident	83.5	Confident	25 Å²	25	29.1 Å²	29.1	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	-49.4	-53.9	-179.8	-70.7	-71.6	0	0	0	113.2	A579 A580 R581 R606	D577-A579 PolarHBondContact O-N 3.18Å; D577-A580 CarbonylContact O-C 3.55Å; D577-A580 PolarHBondContact O-N 2.81Å; D577-R581 WeakPolarHBondContact O-CG 3.2Å; D577-R581 PolarHBondContact O-N 2.83Å; D577-R606 IonicContact OD1-CZ 3.04Å; D577-R606 IonicContact OD1-NE 2.91Å; D577-R606 PolarHBondContact OD1-NE 3.1Å; D577-R606 IonicContact OD1-NH2 3.85Å; D577-R606 IonicContact OD2-CZ 3.22Å; D577-R606 IonicContact OD2-NE 2.8Å; D577-R606 PolarHBondContact OD2-NE 3.35Å; D577-R606 IonicContact OD2-NH2 2.69Å; D577-R606 PolarHBondContact OD2-NH2 2.92Å
578	V	72.8	Confident	83.5	Confident	84 Å²	84	24.8 Å²	24.8	51%	0.509	15%	0.149	S	C	.	.	H	α-helix	trans	-58	-38.7	-176	177.4	0	0	0	0	111.6	T576	T576-V578 PolarHBondContact O-N 2.91Å
579	A	71.2	Confident	83.6	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-79.6	-24.6	-179	0	0	0	0	0	112.7	L549 T576 D577	L549-A579 WeakPolarHBondContact CD2-O 3.47Å; L549-A579 HydrophobicContact CG-CB 4.16Å; L549-A579 VanDerWaalsContact O-CB 3.22Å; L549-A579 WeakPolarHBondContact O-CB 3.2Å; T576-A579 PolarHBondContact O-N 2.89Å; T576-A579 VanDerWaalsContact O-N 3.14Å; D577-A579 PolarHBondContact O-N 3.18Å
580	A	71.9	Confident	83.7	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-91.3	-14.9	179.7	0	0	0	0	0	114.5	F516 C575 T576 D577 G582 I583 R609	F516-A580 HydrophobicContact CD1-CB 4.34Å; F516-A580 HydrophobicContact CE1-CB 3.38Å; F516-A580 HydrophobicContact CZ-CB 3.94Å; C575-A580 HydrophobicContact CB-CB 4.21Å; T576-A580 WeakPolarHBondContact O-CB 3.48Å; T576-A580 PolarHBondContact O-N 2.71Å; D577-A580 CarbonylContact O-C 3.55Å; D577-A580 PolarHBondContact O-N 2.81Å; A580-G582 PolarHBondContact O-N 2.85Å; A580-I583 HydrophobicContact CB-CD1 4.33Å; A580-I583 WeakPolarHBondContact O-CG1 3.47Å; A580-I583 PolarHBondContact O-N 2.7Å; A580-R609 PolarHBondContact O-NH1 3.33Å
581	R	70.9	Confident	83.7	Confident	16 Å²	16	21.1 Å²	21.1	6%	0.06	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.7	173.6	-82	-178.6	-177.8	165.9	-4.7	110.3	L300 G376 S379 D577 I583 N602	L300-R581 HydrophobicContact CD1-CB 4.38Å; G376-R581 VanDerWaalsContact CA-CZ 3.48Å; G376-R581 PolarHBondContact O-NH1 2.81Å; S379-R581 PolarHBondContact OG-NH1 3.37Å; S379-R581 PolarHBondContact OG-NH2 2.73Å; D577-R581 WeakPolarHBondContact O-CG 3.2Å; D577-R581 PolarHBondContact O-N 2.83Å; R581-I583 PolarHBondContact O-N 2.78Å; R581-I583 VanDerWaalsContact O-N 3.16Å; R581-N602 PolarHBondContact NH2-OD1 3.42Å
582	G	63.8	Low	83.8	Confident	10 Å²	10	18.5 Å²	18.5	10%	0.103	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-8.5	-179.6	0	0	0	0	0	117.2	A580 D584	A580-G582 PolarHBondContact O-N 2.85Å; G582-D584 PolarHBondContact O-N 3.36Å
583	I	71	Confident	83.8	Confident	6 Å²	6	18.5 Å²	18.5	3%	0.031	11%	0.11	C	C	.	.			trans	-64.2	117.5	-179.3	-58.8	-179.5	0	0	0	110	L549 L562 L573 A580 R581 I585 R609	L549-I583 HydrophobicContact CD2-CD1 3.3Å; L562-I583 HydrophobicContact CD1-CD1 4.18Å; L562-I583 HydrophobicContact CD1-CG2 3.71Å; L573-I583 HydrophobicContact CD2-CD1 4.2Å; A580-I583 HydrophobicContact CB-CD1 4.33Å; A580-I583 WeakPolarHBondContact O-CG1 3.47Å; A580-I583 PolarHBondContact O-N 2.7Å; R581-I583 PolarHBondContact O-N 2.78Å; R581-I583 VanDerWaalsContact O-N 3.16Å; I583-I585 HydrophobicContact CB-CD1 4.41Å; I583-I585 HydrophobicContact CG2-CD1 3.32Å; I583-I585 HydrophobicContact CG2-CG1 3.61Å; I583-R609 PolarHBondContact O-NH1 3.35Å
584	D	71.9	Confident	83.9	Confident	64 Å²	64	19.1 Å²	19.1	34%	0.342	11%	0.114	S	C	.	.			trans	-97	110.3	170.9	-169.2	22.7	0	0	0	110.8	K566 G582 R612	K566-D584 WeakPolarHBondContact CE-O 3.32Å; K566-D584 PolarHBondContact NZ-O 3.42Å; G582-D584 PolarHBondContact O-N 3.36Å; D584-R612 IonicContact OD1-NH1 3.96Å; D584-R612 PolarHBondContact OD1-NH1 2.82Å
585	I	77	Confident	83.8	Confident	8 Å²	8	19.8 Å²	19.8	4%	0.041	12%	0.118	C	C	.	.			trans	-124	114.9	175	-62	138.1	0	0	0	107.7	L514 F565 K566 I583 G587 L588	L514-I585 HydrophobicContact CD1-CD1 3.58Å; F565-I585 HydrophobicContact CD1-CD1 3.97Å; F565-I585 HydrophobicContact CD1-CG1 4.19Å; F565-I585 HydrophobicContact CE1-CD1 3.54Å; F565-I585 HydrophobicContact CE1-CG1 3.99Å; F565-I585 HydrophobicContact CE1-CG2 4.07Å; K566-I585 HydrophobicContact CG-CG1 4.49Å; I583-I585 HydrophobicContact CB-CD1 4.41Å; I583-I585 HydrophobicContact CG2-CD1 3.32Å; I583-I585 HydrophobicContact CG2-CG1 3.61Å; I585-G587 PolarHBondContact O-N 3.49Å; I585-L588 HydrophobicContact CG2-CB 4.21Å
586	T	75.7	Confident	83.9	Confident	103 Å²	103	19.8 Å²	19.8	63%	0.632	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	126.8	178.9	-43.9	0	0	0	0	111.1
587	G	78.2	Confident	84	Confident	15 Å²	15	19 Å²	19	16%	0.155	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	32.6	170.8	0	0	0	0	0	115.3	I585 P589 R615	I585-G587 PolarHBondContact O-N 3.49Å; G587-P589 WeakPolarHBondContact O-CD 3.35Å; G587-R615 VanDerWaalsContact CA-NH1 3.32Å
588	L	89.3	Confident	84.3	Confident	6 Å²	6	21.1 Å²	21.1	3%	0.031	13%	0.125	C	C	.	.			trans	-65.6	122.6	171.2	-174.8	70.8	0	0	0	109.8	L514 F565 I585 V591 R609 V610	L514-L588 HydrophobicContact CB-CD2 3.65Å; L514-L588 HydrophobicContact CD1-CD2 4.37Å; F565-L588 HydrophobicContact CE1-CD1 4.1Å; F565-L588 HydrophobicContact CZ-CD1 3.64Å; I585-L588 HydrophobicContact CG2-CB 4.21Å; L588-V591 HydrophobicContact CD2-CG2 4.11Å; L588-R609 HydrophobicContact CD2-CB 3.97Å; L588-V610 HydrophobicContact CB-CG1 4.25Å; L588-V610 HydrophobicContact CD2-CG1 3.87Å; L588-V610 HydrophobicContact CG-CG1 3.88Å; L588-V610 WeakPolarHBondContact O-CG1 3.25Å
589	P	91.7	Very high	85	Confident	7 Å²	7	20.5 Å²	20.5	5%	0.045	12%	0.116	C	C	.	.			trans	-84.4	-34.4	-178.5	25.9	-24.4	0	0	0	113.3	R512 G587 L618	R512-P589 HydrophobicContact CB-CG 3.95Å; R512-P589 VanDerWaalsContact O-CD 3.29Å; R512-P589 WeakPolarHBondContact O-CD 3.38Å; R512-P589 VanDerWaalsContact O-CG 3.25Å; R512-P589 WeakPolarHBondContact O-CG 3.46Å; G587-P589 WeakPolarHBondContact O-CD 3.35Å; P589-L618 PolarHBondContact O-N 3.05Å
590	Y	95.8	Very high	85.7	Confident	21 Å²	21	23.1 Å²	23.1	8%	0.082	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143	-169.6	-55.2	-69.7	0	0	0	113.7	Q508 M510 R512 A513 L514 L618 Y695	Q508-Y590 HydrophobicContact CB-CE1 4.48Å; M510-Y590 HydrophobicContact CB-CD2 3.79Å; M510-Y590 HydrophobicContact CB-CE2 4.15Å; M510-Y590 HydrophobicContact CB-CG 4.32Å; M510-Y590 HydrophobicContact CE-CD1 3.98Å; M510-Y590 HydrophobicContact CE-CG 4.15Å; M510-Y590 HydrophobicContact CG-CD1 4.15Å; M510-Y590 HydrophobicContact CG-CD2 3.69Å; M510-Y590 HydrophobicContact CG-CE1 4.45Å; M510-Y590 HydrophobicContact CG-CE2 4.04Å; M510-Y590 HydrophobicContact CG-CG 3.78Å; M510-Y590 HydrophobicContact SD-CD1 4.36Å; M510-Y590 HydrophobicContact SD-CD2 4.36Å; M510-Y590 HydrophobicContact SD-CG 3.95Å; R512-Y590 WeakPolarHBondContact O-CD2 3.45Å; R512-Y590 PolarHBondContact O-N 2.85Å; A513-Y590 VanDerWaalsContact CA-O 3.27Å; A513-Y590 WeakPolarHBondContact CA-O 3.44Å; L514-Y590 PolarHBondContact N-O 3.33Å; Y590-L618 CarbonylContact C-O 3.55Å; Y590-L618 VanDerWaalsContact CA-O 3.31Å; Y590-L618 WeakPolarHBondContact CA-O 3.47Å; Y590-L618 HydrophobicContact CD1-CB 3.84Å; Y590-L618 HydrophobicContact CD1-CD2 3.89Å; Y590-L618 HydrophobicContact CD1-CG 4.26Å; Y590-L618 HydrophobicContact CE1-CB 4.11Å; Y590-L618 HydrophobicContact CE1-CD2 3.89Å; Y590-Y695 AromaticContact CE1-CD2 3.62Å; Y590-Y695 HydrophobicContact CE1-CD2 3.62Å; Y590-Y695 AromaticContact CE1-CG 3.97Å; Y590-Y695 HydrophobicContact CE1-CG 3.97Å
591	V	96.6	Very high	86.1	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.6	164.7	159.2	0	0	0	0	108.9	L514 F516 L588 R609 V610 L618 A619 I620	L514-V591 HydrophobicContact CB-CG2 4.23Å; L514-V591 CarbonylContact O-C 3.55Å; L514-V591 VanDerWaalsContact O-CA 3.29Å; L514-V591 WeakPolarHBondContact O-CA 3.44Å; F516-V591 HydrophobicContact CD2-CG1 3.96Å; F516-V591 HydrophobicContact CE2-CG1 4.08Å; F516-V591 HydrophobicContact CE2-CG2 4.46Å; L588-V591 HydrophobicContact CD2-CG2 4.11Å; V591-R609 HydrophobicContact CG2-CB 3.96Å; V591-V610 HydrophobicContact CB-CG1 4.24Å; V591-V610 HydrophobicContact CG2-CG1 3.65Å; V591-L618 PolarHBondContact N-O 3.01Å; V591-A619 HydrophobicContact CB-CB 4.18Å; V591-A619 HydrophobicContact CG1-CB 4.29Å; V591-A619 CarbonylContact O-C 3.6Å; V591-A619 WeakPolarHBondContact O-CA 3.43Å; V591-I620 PolarHBondContact O-N 3.37Å
592	I	98.3	Very high	86.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	169	-56.2	175.9	0	0	0	108.5	V501 A504 I505 M510 L514 I515 F516 V594 I620	V501-I592 HydrophobicContact CG1-CD1 4.37Å; V501-I592 HydrophobicContact CG2-CG2 4.32Å; A504-I592 HydrophobicContact CB-CD1 4.02Å; I505-I592 HydrophobicContact CG1-CD1 4.16Å; M510-I592 HydrophobicContact CE-CD1 4.18Å; M510-I592 HydrophobicContact CE-CG1 4.19Å; M510-I592 HydrophobicContact SD-CD1 3.76Å; M510-I592 HydrophobicContact SD-CG1 4.15Å; L514-I592 PolarHBondContact O-N 3.18Å; I515-I592 CarbonylContact C-O 3.58Å; I515-I592 WeakPolarHBondContact CA-O 3.42Å; I515-I592 HydrophobicContact CD1-CD1 4.42Å; I515-I592 HydrophobicContact CG1-CB 4.34Å; I515-I592 HydrophobicContact CG1-CD1 4.36Å; I515-I592 HydrophobicContact CG2-CB 4.3Å; F516-I592 PolarHBondContact N-O 2.88Å; I592-V594 HydrophobicContact CG2-CG2 4.23Å; I592-I620 CarbonylContact C-O 3.55Å; I592-I620 WeakPolarHBondContact CA-O 3.4Å
593	N	98.5	Very high	88.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	101.1	165.9	-59.7	-50.5	0	0	0	108	T595 R606 I620 S621 L622	N593-T595 VanDerWaalsContact C-N 3.29Å; N593-R606 WeakPolarHBondContact OD1-CD 3.29Å; N593-I620 PolarHBondContact N-O 3.41Å; N593-S621 PolarHBondContact ND2-OG 2.93Å; N593-L622 PolarHBondContact O-N 3.4Å
594	V	98.5	Very high	88.8	Confident	14 Å²	14	25 Å²	25	9%	0.085	14%	0.135	C	C	.	.	S	Bend	trans	-69.3	-35.7	177.3	-173.9	0	0	0	0	110.8	K497 V501 I515 F516 L526 I592	K497-V594 HydrophobicContact CB-CG1 4.18Å; K497-V594 HydrophobicContact CD-CG1 4.5Å; K497-V594 VanDerWaalsContact CD-O 3.29Å; K497-V594 WeakPolarHBondContact CD-O 3.44Å; K497-V594 WeakPolarHBondContact CE-O 3.43Å; K497-V594 PolarHBondContact NZ-O 2.97Å; V501-V594 HydrophobicContact CG2-CB 4.42Å; V501-V594 HydrophobicContact CG2-CG1 4.11Å; V501-V594 HydrophobicContact CG2-CG2 3.61Å; I515-V594 HydrophobicContact CG2-CG2 3.37Å; F516-V594 WeakPolarHBondContact O-CB 3.37Å; F516-V594 WeakPolarHBondContact O-CG2 3.25Å; F516-V594 PolarHBondContact O-N 3.32Å; L526-V594 HydrophobicContact CD2-CG2 4.27Å; I592-V594 HydrophobicContact CG2-CG2 4.23Å
595	T	97.1	Very high	89.3	Confident	13 Å²	13	22.9 Å²	22.9	8%	0.08	12%	0.123	C	C	.	.	S	Bend	trans	-129.9	140.2	172.3	-45.4	0	0	0	0	107	R518 N593 R606 Y658 E660	R518-T595 HydrophobicContact CB-CG2 3.82Å; R518-T595 HydrophobicContact CG-CG2 4.49Å; N593-T595 VanDerWaalsContact C-N 3.29Å; T595-R606 PolarHBondContact O-NH1 2.97Å; T595-Y658 HydrophobicContact CG2-CD1 4.24Å; T595-Y658 HydrophobicContact CG2-CE1 3.65Å; T595-E660 WeakPolarHBondContact CA-OE1 3.47Å; T595-E660 WeakPolarHBondContact CG2-OE1 3.32Å
596	L	97.2	Very high	89.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.			trans	-60.6	154	170.4	-70.5	-178.3	0	0	0	111.2	Y603 V623 Y658 E660 L663 L664 I667	L596-Y603 HydrophobicContact CD2-CD2 4.11Å; L596-Y603 HydrophobicContact CD2-CE2 4.06Å; L596-V623 HydrophobicContact CD1-CG1 4.39Å; L596-V623 HydrophobicContact CD1-CG2 3.8Å; L596-V623 HydrophobicContact CD2-CG2 4.21Å; L596-V623 HydrophobicContact CG-CG2 4Å; L596-Y658 PolarHBondContact O-OH 2.85Å; L596-E660 HydrophobicContact CD1-CB 4.3Å; L596-E660 PolarHBondContact N-OE1 3.48Å; L596-L663 HydrophobicContact CB-CB 4.5Å; L596-L663 HydrophobicContact CD1-CB 4.17Å; L596-L664 HydrophobicContact CD1-CB 3.97Å; L596-I667 HydrophobicContact CD1-CD1 4.22Å; L596-I667 HydrophobicContact CD2-CD1 4.19Å
597	P	93.9	Very high	90.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.091	C	C	.	.			trans	-72.1	152.8	174.4	26.4	-29	0	0	0	111.8	E599 N602	P597-E599 PolarHBondContact O-N 3.48Å; P597-N602 HydrophobicContact CB-CB 3.67Å; P597-N602 HydrophobicContact CG-CB 4.18Å
598	D	90.3	Very high	90.9	Very high	70 Å²	70	17.7 Å²	17.7	37%	0.374	9%	0.091	S	C	.	.	S	Bend	trans	-64.8	-24.3	176.6	-69.5	1.9	0	0	0	112.5	R518 Y658	R518-D598 IonicContact CZ-OD1 2.8Å; R518-D598 IonicContact CZ-OD2 3.68Å; R518-D598 IonicContact NE-OD1 3.13Å; R518-D598 PolarHBondContact NE-OD1 3.39Å; R518-D598 IonicContact NE-OD2 2.93Å; R518-D598 PolarHBondContact NE-OD2 3.18Å; R518-D598 IonicContact NH2-OD1 3.83Å; R518-D598 IonicContact NH2-OD2 3.43Å; R518-D598 PolarHBondContact NH2-OD2 3.09Å; D598-Y658 PolarHBondContact N-OH 2.9Å; D598-Y658 WeakPolarHBondContact OD1-CE2 3.28Å; D598-Y658 PolarHBondContact OD1-OH 2.73Å
599	E	85.6	Confident	90.7	Very high	71 Å²	71	17.8 Å²	17.8	33%	0.332	9%	0.091	S	C	.	.	S	Bend	trans	-123.5	135	178	-57	174.8	157	0	0	110.3	S379 P597 Q601 N602	S379-E599 WeakPolarHBondContact CB-OE1 3.4Å; S379-E599 WeakPolarHBondContact CB-OE2 3.49Å; P597-E599 PolarHBondContact O-N 3.48Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.29Å; E599-N602 WeakPolarHBondContact O-CB 3.42Å; E599-N602 PolarHBondContact O-N 3.47Å; E599-N602 VanDerWaalsContact O-N 3.08Å; E599-N602 PolarHBondContact OE2-ND2 2.97Å; E599-N602 VanDerWaalsContact OE2-ND2 3.09Å
600	K	86.6	Confident	90.5	Very high	59 Å²	59	17.6 Å²	17.6	26%	0.257	9%	0.09	S	C	.	.	H	α-helix	trans	-59.7	-31.9	-178.2	65.8	-161.6	-163	162.5	0	114.6	N602 Y603 E666 I667 H670	K600-N602 VanDerWaalsContact C-N 3.31Å; K600-N602 PolarHBondContact O-N 3.48Å; K600-Y603 VanDerWaalsContact O-CB 3.25Å; K600-Y603 WeakPolarHBondContact O-CB 3.27Å; K600-Y603 PolarHBondContact O-N 3.34Å; K600-E666 HydrophobicContact CD-CB 4.4Å; K600-I667 HydrophobicContact CB-CG1 3.91Å; K600-H670 HydrophobicContact CB-CB 4.4Å; K600-H670 HydrophobicContact CD-CB 3.8Å; K600-H670 WeakPolarHBondContact CE-ND1 3.28Å; K600-H670 HydrophobicContact CG-CB 4.15Å
601	Q	80.9	Confident	89.8	Confident	49 Å²	49	17 Å²	17	23%	0.229	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-39.8	176.2	-62.4	82.7	2.4	0	0	111.1	T411 E599 Y603 V604 H605	T411-Q601 HydrophobicContact CG2-CB 4.16Å; T411-Q601 HydrophobicContact CG2-CG 4.12Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.29Å; Q601-Y603 PolarHBondContact O-N 3.43Å; Q601-Y603 VanDerWaalsContact O-N 3.13Å; Q601-V604 PolarHBondContact O-N 3.41Å; Q601-V604 VanDerWaalsContact O-N 3.12Å; Q601-H605 PolarHBondContact O-CD2 3.43Å; Q601-H605 PolarHBondContact O-N 2.5Å
602	N	84.8	Confident	88.9	Confident	12 Å²	12	18.9 Å²	18.9	6%	0.064	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-26.8	179.8	-69	-44.8	0	0	0	111.5	R581 P597 E599 K600 V604 H605 R606	R581-N602 PolarHBondContact NH2-OD1 3.42Å; P597-N602 HydrophobicContact CB-CB 3.67Å; P597-N602 HydrophobicContact CG-CB 4.18Å; E599-N602 WeakPolarHBondContact O-CB 3.42Å; E599-N602 PolarHBondContact O-N 3.47Å; E599-N602 VanDerWaalsContact O-N 3.08Å; E599-N602 PolarHBondContact OE2-ND2 2.97Å; E599-N602 VanDerWaalsContact OE2-ND2 3.09Å; K600-N602 VanDerWaalsContact C-N 3.31Å; K600-N602 PolarHBondContact O-N 3.48Å; N602-V604 PolarHBondContact O-N 3.11Å; N602-H605 WeakPolarHBondContact O-CB 3.47Å; N602-H605 PolarHBondContact O-N 3.33Å; N602-H605 VanDerWaalsContact O-N 3.14Å; N602-R606 VanDerWaalsContact O-CG 3.27Å; N602-R606 WeakPolarHBondContact O-CG 3.24Å; N602-R606 PolarHBondContact O-N 3.02Å
603	Y	91.4	Very high	87.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-48.8	175.3	-177.4	-96.3	0	0	0	111.8	H445 L596 K600 Q601 H605 R606 I607 S621 I667 L671 I675	H445-Y603 AromaticContact ND1-CE1 3.68Å; H445-Y603 AromaticContact ND1-CZ 3.83Å; H445-Y603 PolarHBondContact ND1-OH 3.31Å; L596-Y603 HydrophobicContact CD2-CD2 4.11Å; L596-Y603 HydrophobicContact CD2-CE2 4.06Å; K600-Y603 VanDerWaalsContact O-CB 3.25Å; K600-Y603 WeakPolarHBondContact O-CB 3.27Å; K600-Y603 PolarHBondContact O-N 3.34Å; Q601-Y603 PolarHBondContact O-N 3.43Å; Q601-Y603 VanDerWaalsContact O-N 3.13Å; Y603-H605 VanDerWaalsContact C-N 3.27Å; Y603-H605 PolarHBondContact O-N 2.94Å; Y603-R606 WeakPolarHBondContact O-CB 3.39Å; Y603-R606 PolarHBondContact O-N 3.3Å; Y603-R606 VanDerWaalsContact O-N 3.13Å; Y603-I607 HydrophobicContact CD1-CD1 4.15Å; Y603-I607 HydrophobicContact CE1-CD1 3.68Å; Y603-I607 HydrophobicContact CE1-CG2 4.1Å; Y603-I607 HydrophobicContact CE2-CG2 4.26Å; Y603-I607 PolarHBondContact O-N 2.89Å; Y603-S621 WeakPolarHBondContact CE2-OG 3.43Å; Y603-S621 PolarHBondContact OH-OG 3.24Å; Y603-I667 HydrophobicContact CD1-CG2 3.47Å; Y603-I667 VanDerWaalsContact CD1-CG2 3.47Å; Y603-I667 HydrophobicContact CD2-CD1 3.75Å; Y603-I667 HydrophobicContact CD2-CG2 4.29Å; Y603-I667 HydrophobicContact CE1-CG2 3.8Å; Y603-I667 HydrophobicContact CE2-CD1 4.49Å; Y603-I667 HydrophobicContact CG-CD1 3.87Å; Y603-I667 HydrophobicContact CG-CG1 4.21Å; Y603-I667 HydrophobicContact CG-CG2 3.76Å; Y603-L671 HydrophobicContact CD1-CD1 4.22Å; Y603-L671 HydrophobicContact CE1-CD1 4.04Å; Y603-I675 HydrophobicContact CE1-CD1 4.05Å
604	V	85.9	Confident	86.3	Confident	12 Å²	12	28.6 Å²	28.6	7%	0.073	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-40.9	176.3	-179.4	0	0	0	0	110.5	D437 Q601 N602 R606 G608 L671	D437-V604 HydrophobicContact CB-CG2 4.24Å; Q601-V604 PolarHBondContact O-N 3.41Å; Q601-V604 VanDerWaalsContact O-N 3.12Å; N602-V604 PolarHBondContact O-N 3.11Å; V604-R606 VanDerWaalsContact C-N 3.34Å; V604-R606 PolarHBondContact O-N 2.68Å; V604-G608 PolarHBondContact O-N 2.95Å; V604-L671 HydrophobicContact CG2-CD2 3.77Å
605	H	82.1	Confident	85.4	Confident	19 Å²	19	31.5 Å²	31.5	9%	0.088	16%	0.164	C	C	.	.	H	α-helix	trans	-69.5	-29.2	179	-70.6	-126.8	0	0	0	113.5	D375 A410 Q601 N602 Y603 R609	D375-H605 IonicContact OD2-CE1 3.47Å; D375-H605 IonicContact OD2-NE2 2.68Å; A410-H605 WeakPolarHBondContact CB-CE1 3.34Å; Q601-H605 PolarHBondContact O-CD2 3.43Å; Q601-H605 PolarHBondContact O-N 2.5Å; N602-H605 WeakPolarHBondContact O-CB 3.47Å; N602-H605 PolarHBondContact O-N 3.33Å; N602-H605 VanDerWaalsContact O-N 3.14Å; Y603-H605 VanDerWaalsContact C-N 3.27Å; Y603-H605 PolarHBondContact O-N 2.94Å; H605-R609 PolarHBondContact O-NE 3.39Å; H605-R609 VanDerWaalsContact O-NE 3.08Å
606	R	89.7	Confident	84.8	Confident	1 Å²	1	31 Å²	31	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-74	-49.6	176.3	-71.4	-173.2	-176.5	-173.5	2.9	111	F516 D577 N593 T595 N602 Y603 V604 R609	F516-R606 HydrophobicContact CD1-CG 3.83Å; F516-R606 HydrophobicContact CD2-CB 3.81Å; F516-R606 HydrophobicContact CD2-CG 3.78Å; F516-R606 HydrophobicContact CE1-CB 4.44Å; F516-R606 HydrophobicContact CE1-CG 3.7Å; F516-R606 HydrophobicContact CE2-CB 3.51Å; F516-R606 HydrophobicContact CE2-CG 3.66Å; F516-R606 HydrophobicContact CG-CB 4.4Å; F516-R606 HydrophobicContact CG-CG 3.85Å; F516-R606 HydrophobicContact CZ-CB 3.87Å; F516-R606 HydrophobicContact CZ-CG 3.62Å; D577-R606 IonicContact OD1-CZ 3.04Å; D577-R606 IonicContact OD1-NE 2.91Å; D577-R606 PolarHBondContact OD1-NE 3.1Å; D577-R606 IonicContact OD1-NH2 3.85Å; D577-R606 IonicContact OD2-CZ 3.22Å; D577-R606 IonicContact OD2-NE 2.8Å; D577-R606 PolarHBondContact OD2-NE 3.35Å; D577-R606 IonicContact OD2-NH2 2.69Å; D577-R606 PolarHBondContact OD2-NH2 2.92Å; N593-R606 WeakPolarHBondContact OD1-CD 3.29Å; T595-R606 PolarHBondContact O-NH1 2.97Å; N602-R606 VanDerWaalsContact O-CG 3.27Å; N602-R606 WeakPolarHBondContact O-CG 3.24Å; N602-R606 PolarHBondContact O-N 3.02Å; Y603-R606 WeakPolarHBondContact O-CB 3.39Å; Y603-R606 PolarHBondContact O-N 3.3Å; Y603-R606 VanDerWaalsContact O-N 3.13Å; V604-R606 VanDerWaalsContact C-N 3.34Å; V604-R606 PolarHBondContact O-N 2.68Å; R606-R609 WeakPolarHBondContact O-CB 3.33Å; R606-R609 WeakPolarHBondContact O-CG 3.45Å; R606-R609 PolarHBondContact O-N 3.26Å
607	I	89.9	Confident	84.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74	-29.8	-178.1	71.7	174.9	0	0	0	112.1	V439 V443 Y603 R609 V610 A619	V439-I607 HydrophobicContact CB-CD1 4.31Å; V439-I607 HydrophobicContact CG1-CD1 3.67Å; V439-I607 HydrophobicContact CG2-CD1 3.72Å; V443-I607 HydrophobicContact CG1-CB 4.05Å; V443-I607 HydrophobicContact CG1-CD1 4.18Å; V443-I607 HydrophobicContact CG1-CG1 4.22Å; Y603-I607 HydrophobicContact CD1-CD1 4.15Å; Y603-I607 HydrophobicContact CE1-CD1 3.68Å; Y603-I607 HydrophobicContact CE1-CG2 4.1Å; Y603-I607 HydrophobicContact CE2-CG2 4.26Å; Y603-I607 PolarHBondContact O-N 2.89Å; I607-R609 PolarHBondContact O-N 3.49Å; I607-V610 WeakPolarHBondContact O-CG2 3.49Å; I607-V610 PolarHBondContact O-N 3.41Å; I607-V610 VanDerWaalsContact O-N 3.1Å; I607-A619 HydrophobicContact CB-CB 3.79Å; I607-A619 HydrophobicContact CG2-CB 3.53Å
608	G	84.6	Confident	84.4	Confident	16 Å²	16	31 Å²	31	17%	0.165	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	4.7	172.7	0	0	0	0	0	115.1	V604 V610 R612	V604-G608 PolarHBondContact O-N 2.95Å; G608-V610 VanDerWaalsContact C-N 3.31Å; G608-R612 PolarHBondContact O-NE 2.94Å; G608-R612 VanDerWaalsContact O-NE 3.12Å; G608-R612 PolarHBondContact O-NH2 2.97Å
609	R	85.6	Confident	84.7	Confident	9 Å²	9	27.7 Å²	27.7	3%	0.034	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-23.1	167.9	-58.4	-66.8	156	-173.3	-5.5	112	F516 A580 I583 L588 V591 H605 R606 I607	F516-R609 HydrophobicContact CE2-CG 4.33Å; F516-R609 HydrophobicContact CZ-CG 4.13Å; A580-R609 PolarHBondContact O-NH1 3.33Å; I583-R609 PolarHBondContact O-NH1 3.35Å; L588-R609 HydrophobicContact CD2-CB 3.97Å; V591-R609 HydrophobicContact CG2-CB 3.96Å; H605-R609 PolarHBondContact O-NE 3.39Å; H605-R609 VanDerWaalsContact O-NE 3.08Å; R606-R609 WeakPolarHBondContact O-CB 3.33Å; R606-R609 WeakPolarHBondContact O-CG 3.45Å; R606-R609 PolarHBondContact O-N 3.26Å; I607-R609 PolarHBondContact O-N 3.49Å
610	V	87.9	Confident	85.2	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.018	13%	0.127	C	C	.	.	S	Bend	trans	-105.4	180	171.6	-57.2	0	0	0	0	109.8	V443 L588 V591 I607 G608 R612	V443-V610 HydrophobicContact CG1-CG2 4.15Å; V443-V610 HydrophobicContact CG2-CG2 4.38Å; L588-V610 HydrophobicContact CB-CG1 4.25Å; L588-V610 HydrophobicContact CD2-CG1 3.87Å; L588-V610 HydrophobicContact CG-CG1 3.88Å; L588-V610 WeakPolarHBondContact O-CG1 3.25Å; V591-V610 HydrophobicContact CB-CG1 4.24Å; V591-V610 HydrophobicContact CG2-CG1 3.65Å; I607-V610 WeakPolarHBondContact O-CG2 3.49Å; I607-V610 PolarHBondContact O-N 3.41Å; I607-V610 VanDerWaalsContact O-N 3.1Å; G608-V610 VanDerWaalsContact C-N 3.31Å; V610-R612 VanDerWaalsContact C-N 3.3Å; V610-R612 PolarHBondContact O-N 3.3Å
611	G	79.9	Confident	85.8	Confident	9 Å²	9	21.5 Å²	21.5	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	82.1	0.7	176.7	0	0	0	0	0	115.4	T442 R615	T442-G611 VanDerWaalsContact CB-O 3.26Å; T442-G611 WeakPolarHBondContact CB-O 3.48Å; T442-G611 PolarHBondContact OG1-O 3.25Å; G611-R615 CarbonylContact C-O 3.5Å; G611-R615 WeakPolarHBondContact CA-O 3.34Å
612	R	77.4	Confident	86.7	Confident	39 Å²	39	19.1 Å²	19.1	15%	0.147	10%	0.104	C	C	.	.			trans	-79	149.6	-170.2	-61.9	-175.1	-178.3	-175.7	0.6	113.1	T50 D584 G608 V610 E614 R615	T50-R612 PolarHBondContact OG1-NH2 3.49Å; D584-R612 IonicContact OD1-NH1 3.96Å; D584-R612 PolarHBondContact OD1-NH1 2.82Å; G608-R612 PolarHBondContact O-NE 2.94Å; G608-R612 VanDerWaalsContact O-NE 3.12Å; G608-R612 PolarHBondContact O-NH2 2.97Å; V610-R612 VanDerWaalsContact C-N 3.3Å; V610-R612 PolarHBondContact O-N 3.3Å; R612-E614 PolarHBondContact O-N 2.88Å; R612-R615 VanDerWaalsContact O-CB 3.3Å; R612-R615 WeakPolarHBondContact O-CB 3.43Å; R612-R615 PolarHBondContact O-N 3.4Å
613	A	70	Confident	87.3	Confident	70 Å²	70	18.6 Å²	18.6	58%	0.579	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	47.7	174.8	0	0	0	0	0	113.5	R615	A613-R615 PolarHBondContact O-N 2.89Å
614	E	72.2	Confident	87.6	Confident	133 Å²	133	18.7 Å²	18.7	62%	0.621	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	20.3	-178.8	-52.7	178.5	157.7	0	0	114.3	R612 K698 L699	R612-E614 PolarHBondContact O-N 2.88Å; E614-K698 WeakPolarHBondContact O-CA 3.37Å; E614-L699 PolarHBondContact O-N 3.1Å
615	R	79.5	Confident	88.2	Confident	76 Å²	76	20.6 Å²	20.6	29%	0.287	11%	0.113	S	C	.	.	B	Isolated β-bridge	trans	-95.7	133.9	176.1	-64.2	173.9	161.8	159.4	-1.3	109.8	G587 G611 R612 A613 G696 Q697 K698	G587-R615 VanDerWaalsContact CA-NH1 3.32Å; G611-R615 CarbonylContact C-O 3.5Å; G611-R615 WeakPolarHBondContact CA-O 3.34Å; R612-R615 VanDerWaalsContact O-CB 3.3Å; R612-R615 WeakPolarHBondContact O-CB 3.43Å; R612-R615 PolarHBondContact O-N 3.4Å; A613-R615 PolarHBondContact O-N 2.89Å; R615-G696 WeakPolarHBondContact CD-O 3.05Å; R615-G696 PolarHBondContact NE-O 3.24Å; R615-Q697 WeakPolarHBondContact CA-O 3.49Å; R615-K698 HydrophobicContact CG-CG 3.94Å
616	M	84.5	Confident	88.9	Confident	3 Å²	3	21 Å²	21	2%	0.015	12%	0.117	C	C	.	.			trans	-68.2	134.9	174.8	-71	-60.2	-63.3	0	0	110.3	T442 H444 F689 V693 Y695 G696 Q697 L699	T442-M616 CarbonylContact O-C 3.54Å; T442-M616 WeakPolarHBondContact O-CA 3.15Å; H444-M616 HydrophobicContact CB-CE 4.4Å; M616-F689 HydrophobicContact CE-CD1 4.08Å; M616-F689 HydrophobicContact CE-CD2 4.26Å; M616-F689 HydrophobicContact CE-CE1 3.61Å; M616-F689 HydrophobicContact CE-CE2 3.83Å; M616-F689 HydrophobicContact CE-CG 4.38Å; M616-F689 HydrophobicContact CE-CZ 3.48Å; M616-F689 VanDerWaalsContact CE-CZ 3.48Å; M616-F689 HydrophobicContact SD-CE1 4.19Å; M616-V693 HydrophobicContact CB-CG1 3.49Å; M616-V693 VanDerWaalsContact CB-CG1 3.49Å; M616-V693 HydrophobicContact CE-CG1 4.41Å; M616-V693 HydrophobicContact CG-CG1 3.59Å; M616-V693 HydrophobicContact CG-CG2 4.12Å; M616-Y695 HydrophobicContact CB-CD1 4.09Å; M616-Y695 CarbonylContact O-C 3.43Å; M616-Y695 WeakPolarHBondContact O-CA 3.1Å; M616-G696 PolarHBondContact O-N 3.31Å; M616-Q697 PolarHBondContact N-O 3.32Å; M616-L699 HydrophobicContact CG-CD1 3.97Å; M616-L699 HydrophobicContact CG-CG 3.94Å; M616-L699 HydrophobicContact SD-CD1 3.57Å; M616-L699 VanDerWaalsContact SD-CD1 3.57Å; M616-L699 HydrophobicContact SD-CG 4.1Å
617	G	90.4	Very high	89.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.1	175.4	0	0	0	0	0	111.1	T442 H444	T442-G617 PolarHBondContact O-N 3.14Å; H444-G617 PolarHBondContact N-O 3.5Å
618	L	93.5	Very high	89.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.8	172.5	171.1	66	0	0	0	110.7	H444 V446 Q508 P589 Y590 V591 I620 I684 Y695	H444-L618 HydrophobicContact CB-CD1 4.47Å; H444-L618 CarbonylContact O-C 3.44Å; H444-L618 VanDerWaalsContact O-CA 3.26Å; H444-L618 WeakPolarHBondContact O-CA 3.25Å; V446-L618 HydrophobicContact CG2-CD1 4.36Å; Q508-L618 HydrophobicContact CG-CD2 4.17Å; P589-L618 PolarHBondContact O-N 3.05Å; Y590-L618 CarbonylContact C-O 3.55Å; Y590-L618 VanDerWaalsContact CA-O 3.31Å; Y590-L618 WeakPolarHBondContact CA-O 3.47Å; Y590-L618 HydrophobicContact CD1-CB 3.84Å; Y590-L618 HydrophobicContact CD1-CD2 3.89Å; Y590-L618 HydrophobicContact CD1-CG 4.26Å; Y590-L618 HydrophobicContact CE1-CB 4.11Å; Y590-L618 HydrophobicContact CE1-CD2 3.89Å; V591-L618 PolarHBondContact N-O 3.01Å; L618-I620 HydrophobicContact CD1-CG1 4.26Å; L618-I620 HydrophobicContact CD2-CD1 4.16Å; L618-I620 HydrophobicContact CD2-CG1 4.19Å; L618-I620 HydrophobicContact CG-CG1 4.08Å; L618-I684 HydrophobicContact CD1-CD1 3.56Å; L618-I684 HydrophobicContact CD2-CD1 3.17Å; L618-I684 HydrophobicContact CG-CD1 3.97Å; L618-Y695 HydrophobicContact CB-CD1 3.66Å; L618-Y695 HydrophobicContact CB-CD2 3.87Å; L618-Y695 HydrophobicContact CB-CE1 3.71Å; L618-Y695 HydrophobicContact CB-CE2 3.9Å; L618-Y695 HydrophobicContact CB-CG 3.75Å; L618-Y695 HydrophobicContact CD2-CD2 4.14Å; L618-Y695 HydrophobicContact CD2-CE2 3.8Å; L618-Y695 HydrophobicContact CG-CE2 4.35Å
619	A	95.6	Very high	90.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	171.6	0	0	0	0	0	110.9	H444 H445 V446 V591 I607	H444-A619 PolarHBondContact O-N 2.95Å; H445-A619 CarbonylContact C-O 3.48Å; H445-A619 VanDerWaalsContact CA-O 3.24Å; H445-A619 WeakPolarHBondContact CA-O 3.17Å; H445-A619 HydrophobicContact CB-CB 4.01Å; V446-A619 PolarHBondContact N-O 2.92Å; V591-A619 HydrophobicContact CB-CB 4.18Å; V591-A619 HydrophobicContact CG1-CB 4.29Å; V591-A619 CarbonylContact O-C 3.6Å; V591-A619 WeakPolarHBondContact O-CA 3.43Å; I607-A619 HydrophobicContact CB-CB 3.79Å; I607-A619 HydrophobicContact CG2-CB 3.53Å
620	I	97.7	Very high	90.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.2	176.2	-59.6	179.5	0	0	0	108.8	V446 A504 Q508 M510 V591 I592 N593 L618 L622 L682 I684	V446-I620 HydrophobicContact CG2-CB 4.47Å; V446-I620 HydrophobicContact CG2-CG1 3.98Å; A504-I620 HydrophobicContact CB-CD1 4.15Å; Q508-I620 HydrophobicContact CG-CD1 4.11Å; M510-I620 HydrophobicContact CE-CD1 3.62Å; V591-I620 PolarHBondContact O-N 3.37Å; I592-I620 CarbonylContact C-O 3.55Å; I592-I620 WeakPolarHBondContact CA-O 3.4Å; N593-I620 PolarHBondContact N-O 3.41Å; L618-I620 HydrophobicContact CD1-CG1 4.26Å; L618-I620 HydrophobicContact CD2-CD1 4.16Å; L618-I620 HydrophobicContact CD2-CG1 4.19Å; L618-I620 HydrophobicContact CG-CG1 4.08Å; I620-L622 HydrophobicContact CG2-CD2 4.13Å; I620-L682 HydrophobicContact CD1-CD2 4.42Å; I620-L682 HydrophobicContact CG2-CD2 3.76Å; I620-I684 HydrophobicContact CD1-CD1 4.39Å
621	S	98.5	Very high	91.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.5	175.8	-53.2	0	0	0	0	110.9	V446 V447 C448 N593 Y603	V446-S621 PolarHBondContact O-N 3.13Å; V447-S621 CarbonylContact C-O 3.58Å; V447-S621 WeakPolarHBondContact CA-O 3.38Å; C448-S621 PolarHBondContact N-O 3.48Å; N593-S621 PolarHBondContact ND2-OG 2.93Å; Y603-S621 WeakPolarHBondContact CE2-OG 3.43Å; Y603-S621 PolarHBondContact OH-OG 3.24Å
622	L	98.6	Very high	91.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	175.3	-57.3	-174.5	0	0	0	108.7	C448 I450 Y500 V501 N593 I620	C448-L622 HydrophobicContact CB-CD2 3.95Å; I450-L622 HydrophobicContact CD1-CB 3.83Å; I450-L622 HydrophobicContact CD1-CD1 4.24Å; I450-L622 HydrophobicContact CD1-CD2 4.44Å; I450-L622 HydrophobicContact CD1-CG 4.38Å; Y500-L622 HydrophobicContact CD1-CD2 4.41Å; V501-L622 HydrophobicContact CG2-CD1 3.79Å; N593-L622 PolarHBondContact O-N 3.4Å; I620-L622 HydrophobicContact CG2-CD2 4.13Å
623	V	98.4	Very high	92.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.3	-173.2	179	0	0	0	0	109.3	V447 C448 L449 I450 L596 E660 L664	V447-V623 HydrophobicContact CG1-CB 4Å; V447-V623 HydrophobicContact CG1-CG2 3.73Å; V447-V623 HydrophobicContact CG2-CG2 4.43Å; C448-V623 PolarHBondContact O-N 2.92Å; L449-V623 CarbonylContact C-O 3.55Å; L449-V623 WeakPolarHBondContact CA-O 3.46Å; L449-V623 HydrophobicContact CD2-CB 4.1Å; L449-V623 HydrophobicContact CD2-CG1 4.15Å; I450-V623 PolarHBondContact N-O 2.88Å; L596-V623 HydrophobicContact CD1-CG1 4.39Å; L596-V623 HydrophobicContact CD1-CG2 3.8Å; L596-V623 HydrophobicContact CD2-CG2 4.21Å; L596-V623 HydrophobicContact CG-CG2 4Å; V623-E660 HydrophobicContact CG1-CB 3.94Å; V623-L664 HydrophobicContact CG1-CB 4.47Å; V623-L664 HydrophobicContact CG1-CD2 4.21Å
624	S	98.1	Very high	92.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	136.4	173.5	-177.8	0	0	0	0	111.3	I450 V493 V626 E660 P661	I450-S624 WeakPolarHBondContact O-CA 3.32Å; V493-S624 WeakPolarHBondContact CG2-OG 3.45Å; S624-V626 VanDerWaalsContact C-N 3.28Å; S624-V626 WeakPolarHBondContact CB-O 3.22Å; S624-V626 PolarHBondContact OG-N 2.87Å; S624-V626 PolarHBondContact OG-O 2.94Å; S624-E660 VanDerWaalsContact CB-OE2 3.24Å; S624-E660 WeakPolarHBondContact CB-OE2 3.46Å; S624-E660 PolarHBondContact N-OE2 3.47Å; S624-P661 VanDerWaalsContact O-CD 3.22Å; S624-P661 WeakPolarHBondContact O-CD 3.43Å; S624-P661 VanDerWaalsContact O-CG 3.23Å; S624-P661 WeakPolarHBondContact O-CG 3.3Å
625	T	97.8	Very high	93.4	Very high	52 Å²	52	33.5 Å²	33.5	32%	0.319	16%	0.164	S	C	.	.	S	Bend	trans	-79.8	-12.4	171.2	63.6	0	0	0	0	113.1	L449 I450 D451	L449-T625 HydrophobicContact CB-CG2 3.98Å; I450-T625 PolarHBondContact O-N 2.86Å; I450-T625 PolarHBondContact O-OG1 2.86Å; D451-T625 VanDerWaalsContact CA-OG1 3.32Å; D451-T625 WeakPolarHBondContact CA-OG1 3.24Å; D451-T625 HydrophobicContact CB-CG2 3.81Å; D451-T625 WeakPolarHBondContact CB-OG1 3.36Å; D451-T625 VanDerWaalsContact CG-OG1 3.3Å; D451-T625 PolarHBondContact OD1-OG1 3.31Å
626	V	97.3	Very high	93.8	Very high	28 Å²	28	30.5 Å²	30.5	17%	0.17	16%	0.155	C	C	.	.	S	Bend	trans	-118	159.6	178	-60.5	0	0	0	0	110.8	P452 L489 V493 S624	P452-V626 HydrophobicContact CG-CG1 4.26Å; P452-V626 HydrophobicContact CG-CG2 3.74Å; L489-V626 HydrophobicContact CB-CG2 4.16Å; L489-V626 HydrophobicContact CD1-CG1 4.37Å; V493-V626 HydrophobicContact CG2-CG2 3.6Å; S624-V626 VanDerWaalsContact C-N 3.28Å; S624-V626 WeakPolarHBondContact CB-O 3.22Å; S624-V626 PolarHBondContact OG-N 2.87Å; S624-V626 PolarHBondContact OG-O 2.94Å
627	K	97.8	Very high	93.8	Very high	108 Å²	108	36.4 Å²	36.4	47%	0.47	20%	0.196	S	C	.	.			trans	-68.8	140.8	173.9	-62.6	-176.5	-176.4	180	0	110.4	W657 Y658 N659	K627-W657 HydrophobicContact CB-CB 4.24Å; K627-W657 HydrophobicContact CB-CE3 3.82Å; K627-W657 HydrophobicContact CD-CB 4.1Å; K627-W657 WeakPolarHBondContact O-CZ3 3.28Å; K627-Y658 CarbonylContact C-O 3.59Å; K627-Y658 VanDerWaalsContact CA-O 3.28Å; K627-Y658 WeakPolarHBondContact CA-O 3.45Å; K627-N659 HydrophobicContact CD-CB 4.41Å; K627-N659 HydrophobicContact CG-CB 4.17Å
628	E	97.4	Very high	93.5	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.3	174.6	-68.8	-169.2	-110.6	0	0	110.3	V493 K494 K497 V630 W657 Y658	V493-E628 HydrophobicContact CB-CG 4.15Å; V493-E628 HydrophobicContact CG1-CG 3.73Å; V493-E628 WeakPolarHBondContact CG1-OE1 3.4Å; K494-E628 WeakPolarHBondContact CG-OE2 3.26Å; K494-E628 IonicContact NZ-OE2 3.36Å; K494-E628 PolarHBondContact NZ-OE2 3.26Å; K497-E628 WeakPolarHBondContact CE-OE1 3.21Å; K497-E628 IonicContact NZ-OE1 3.48Å; K497-E628 PolarHBondContact NZ-OE1 3.01Å; E628-V630 HydrophobicContact CB-CG1 4.05Å; E628-V630 PolarHBondContact O-N 2.96Å; E628-W657 CarbonylContact O-C 3.5Å; E628-W657 WeakPolarHBondContact O-CA 3.43Å; E628-Y658 PolarHBondContact N-O 2.79Å; E628-Y658 WeakPolarHBondContact O-CB 3.41Å; E628-Y658 PolarHBondContact O-N 3.03Å
629	K	97.7	Very high	92.9	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.9	164.9	-165.9	178.5	178.1	-178.1	0	107.4	V473 D477 S490 K494 T646 C655 I656 W657	V473-K629 HydrophobicContact CG1-CB 4.44Å; V473-K629 WeakPolarHBondContact CG1-O 3.33Å; V473-K629 HydrophobicContact CG2-CD 4.46Å; V473-K629 HydrophobicContact CG2-CG 4.15Å; D477-K629 IonicContact OD1-NZ 3.63Å; D477-K629 PolarHBondContact OD1-NZ 2.99Å; D477-K629 IonicContact OD2-NZ 2.75Å; D477-K629 PolarHBondContact OD2-NZ 2.72Å; S490-K629 PolarHBondContact OG-N 2.98Å; K494-K629 WeakPolarHBondContact CE-O 3.32Å; K494-K629 PolarHBondContact NZ-O 3.18Å; K629-T646 WeakPolarHBondContact CE-O 3.28Å; K629-T646 PolarHBondContact NZ-O 2.83Å; K629-C655 HydrophobicContact CG-CB 4.19Å; K629-I656 WeakPolarHBondContact CA-O 3.41Å; K629-W657 HydrophobicContact CB-CD2 4.42Å; K629-W657 HydrophobicContact CB-CE3 4.04Å; K629-W657 HydrophobicContact CB-CH2 3.94Å; K629-W657 HydrophobicContact CB-CZ2 4.34Å; K629-W657 HydrophobicContact CB-CZ3 3.81Å; K629-W657 HydrophobicContact CD-CZ2 4.45Å
630	V	96.6	Very high	92.4	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.1	-178.6	-58.1	0	0	0	0	110.9	E628 C655 I656 Y658	E628-V630 HydrophobicContact CB-CG1 4.05Å; E628-V630 PolarHBondContact O-N 2.96Å; V630-C655 CarbonylContact O-C 3.52Å; V630-C655 WeakPolarHBondContact O-CA 3.39Å; V630-C655 WeakPolarHBondContact O-CB 3.44Å; V630-I656 HydrophobicContact CG2-CD1 4.38Å; V630-I656 HydrophobicContact CG2-CG1 3.7Å; V630-I656 PolarHBondContact N-O 2.92Å; V630-I656 PolarHBondContact O-N 2.69Å; V630-Y658 HydrophobicContact CG2-CD2 4.36Å; V630-Y658 HydrophobicContact CG2-CG 4.28Å
631	W	95	Very high	91.8	Very high	26 Å²	26	59.3 Å²	59.3	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.9	168.5	-63.1	107.8	0	0	0	112.2	D471 V473 R518 H633 N645 T646 C654 C655	D471-W631 PolarHBondContact O-NE1 3.22Å; V473-W631 HydrophobicContact CB-CZ2 4.35Å; V473-W631 HydrophobicContact CG2-CD2 4.1Å; V473-W631 HydrophobicContact CG2-CG 4.42Å; V473-W631 HydrophobicContact CG2-CZ2 4.21Å; R518-W631 PolarHBondContact NH1-O 2.91Å; W631-H633 AromaticContact CD2-CE1 3.99Å; W631-H633 AromaticContact CD2-NE2 4Å; W631-H633 AromaticContact CE3-CE1 3.4Å; W631-H633 AromaticContact CE3-NE2 3.86Å; W631-H633 AromaticContact CG-NE2 3.95Å; W631-N645 WeakPolarHBondContact CZ3-O 3.26Å; W631-T646 HydrophobicContact CH2-CG2 3.53Å; W631-T646 HydrophobicContact CZ2-CG2 3.88Å; W631-T646 HydrophobicContact CZ3-CG2 4.46Å; W631-C654 HydrophobicContact CE3-CB 4.04Å; W631-C654 HydrophobicContact CZ3-CB 4Å; W631-C655 VanDerWaalsContact CE3-SG 3.55Å
632	Y	91.9	Very high	91.2	Very high	111 Å²	111	63 Å²	63	44%	0.435	33%	0.334	S	S	.	.			trans	-132.8	-33	179.1	-163.8	-100.8	0	0	0	114.2	S634 L649 C654 I656	Y632-S634 VanDerWaalsContact C-N 3.31Å; Y632-S634 PolarHBondContact O-N 2.81Å; Y632-S634 VanDerWaalsContact O-N 3.13Å; Y632-L649 HydrophobicContact CD1-CD1 3.69Å; Y632-L649 HydrophobicContact CE1-CD1 4.31Å; Y632-L649 HydrophobicContact CG-CD1 4.39Å; Y632-C654 PolarHBondContact N-O 3.15Å; Y632-I656 HydrophobicContact CD1-CG2 4.42Å; Y632-I656 HydrophobicContact CD2-CD1 3.38Å; Y632-I656 HydrophobicContact CD2-CG1 4.1Å; Y632-I656 HydrophobicContact CE2-CD1 3.87Å; Y632-I656 HydrophobicContact CG-CD1 3.94Å; Y632-I656 HydrophobicContact CG-CG1 4.29Å; Y632-I656 HydrophobicContact CG-CG2 4.07Å
633	H	89.5	Confident	90.8	Very high	46 Å²	46	64.3 Å²	64.3	21%	0.213	34%	0.344	C	S	.	.			trans	51.9	32.1	172	-57.5	-55.9	0	0	0	117.6	W631 C636 G640 C654	W631-H633 AromaticContact CD2-CE1 3.99Å; W631-H633 AromaticContact CD2-NE2 4Å; W631-H633 AromaticContact CE3-CE1 3.4Å; W631-H633 AromaticContact CE3-NE2 3.86Å; W631-H633 AromaticContact CG-NE2 3.95Å; H633-C636 HydrophobicContact CB-CB 3.68Å; H633-C636 PolarHBondContact O-N 3.28Å; H633-G640 VanDerWaalsContact CD2-CA 3.48Å; H633-G640 WeakPolarHBondContact CD2-CA 3.48Å; H633-G640 VanDerWaalsContact CE1-CA 3.48Å; H633-G640 WeakPolarHBondContact CE1-CA 3.28Å; H633-G640 WeakPolarHBondContact NE2-CA 3.48Å; H633-C654 PolarHBondContact N-O 2.91Å
634	S	83.2	Confident	90.4	Very high	61 Å²	61	72 Å²	72	43%	0.427	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-51.5	-179.3	53.1	0	0	0	0	113.8	Y632 L649	Y632-S634 VanDerWaalsContact C-N 3.31Å; Y632-S634 PolarHBondContact O-N 2.81Å; Y632-S634 VanDerWaalsContact O-N 3.13Å; S634-L649 WeakPolarHBondContact OG-CD1 3.4Å; S634-L649 VanDerWaalsContact OG-CD2 3.26Å; S634-L649 WeakPolarHBondContact OG-CD2 3.45Å
635	N	83.3	Confident	90.2	Very high	155 Å²	155	74 Å²	74	83%	0.829	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	27.9	180	-65.5	-27.6	0	0	0	112.1	S637	N635-S637 PolarHBondContact O-N 2.83Å
636	C	86.8	Confident	90.1	Very high	14 Å²	14	72 Å²	72	10%	0.095	37%	0.372	C	S	.	.			trans	-83.7	115.3	-177.8	-172.9	0	0	0	0	110.6	H633 T638 R639 G640	H633-C636 HydrophobicContact CB-CB 3.68Å; H633-C636 PolarHBondContact O-N 3.28Å; C636-T638 PolarHBondContact O-N 2.96Å; C636-T638 PolarHBondContact SG-OG1 2.78Å; C636-R639 PolarHBondContact O-N 2.9Å; C636-G640 PolarHBondContact SG-N 3.47Å; C636-G640 VanDerWaalsContact SG-N 3.41Å
637	S	84.5	Confident	90	Very high	126 Å²	126	77.2 Å²	77.2	88%	0.881	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.9	178.9	56.2	0	0	0	0	113.3	N635	N635-S637 PolarHBondContact O-N 2.83Å
638	T	83.7	Confident	89.9	Confident	62 Å²	62	73.3 Å²	73.3	38%	0.38	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.7	177.1	68.4	0	0	0	0	113.7	C636 G640 R641	C636-T638 PolarHBondContact O-N 2.96Å; C636-T638 PolarHBondContact SG-OG1 2.78Å; T638-G640 PolarHBondContact O-N 2.96Å; T638-R641 VanDerWaalsContact CB-O 3.23Å; T638-R641 WeakPolarHBondContact CB-O 3.31Å; T638-R641 WeakPolarHBondContact O-CB 3.39Å; T638-R641 PolarHBondContact O-N 2.78Å; T638-R641 VanDerWaalsContact O-N 3.13Å; T638-R641 PolarHBondContact OG1-O 3.42Å
639	R	82.4	Confident	89.7	Confident	207 Å²	207	75.6 Å²	75.6	78%	0.781	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	45.9	-174.5	-58.4	-176.9	178.4	-179.5	-1.5	112.1	C636 R641	C636-R639 PolarHBondContact O-N 2.9Å; R639-R641 VanDerWaalsContact C-N 3.29Å; R639-R641 PolarHBondContact O-N 3.4Å
640	G	84.3	Confident	89.5	Confident	22 Å²	22	81.5 Å²	81.5	23%	0.227	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-14.7	179.1	0	0	0	0	0	115.9	H633 C636 T638 G642 C643	H633-G640 VanDerWaalsContact CD2-CA 3.48Å; H633-G640 WeakPolarHBondContact CD2-CA 3.48Å; H633-G640 VanDerWaalsContact CE1-CA 3.48Å; H633-G640 WeakPolarHBondContact CE1-CA 3.28Å; H633-G640 WeakPolarHBondContact NE2-CA 3.48Å; C636-G640 PolarHBondContact SG-N 3.47Å; C636-G640 VanDerWaalsContact SG-N 3.41Å; T638-G640 PolarHBondContact O-N 2.96Å; G640-G642 PolarHBondContact O-N 2.82Å; G640-G642 VanDerWaalsContact O-N 3.11Å; G640-C643 PolarHBondContact O-N 2.94Å; G640-C643 VanDerWaalsContact O-N 3.17Å
641	R	84.4	Confident	89.4	Confident	191 Å²	191	86 Å²	86	72%	0.721	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	117.5	177.9	-75.4	-171.8	-90.4	-144.1	-1.6	110.7	T638 R639 C643	T638-R641 VanDerWaalsContact CB-O 3.23Å; T638-R641 WeakPolarHBondContact CB-O 3.31Å; T638-R641 WeakPolarHBondContact O-CB 3.39Å; T638-R641 PolarHBondContact O-N 2.78Å; T638-R641 VanDerWaalsContact O-N 3.13Å; T638-R641 PolarHBondContact OG1-O 3.42Å; R639-R641 VanDerWaalsContact C-N 3.29Å; R639-R641 PolarHBondContact O-N 3.4Å; R641-C643 PolarHBondContact O-N 2.94Å
642	G	86.1	Confident	89.2	Confident	76 Å²	76	87.3 Å²	87.3	78%	0.784	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	22.3	-177.8	0	0	0	0	0	114.2	G640	G640-G642 PolarHBondContact O-N 2.82Å; G640-G642 VanDerWaalsContact O-N 3.11Å
643	C	90.2	Very high	89.2	Confident	29 Å²	29	82.5 Å²	82.5	20%	0.196	44%	0.443	C	S	.	.			trans	-76.6	134.6	-178.4	-171.1	0	0	0	0	111.1	G640 R641 C654	G640-C643 PolarHBondContact O-N 2.94Å; G640-C643 VanDerWaalsContact O-N 3.17Å; R641-C643 PolarHBondContact O-N 2.94Å; C643-C654 VanDerWaalsContact SG-SG 3.69Å
644	Y	91.4	Very high	89.5	Confident	163 Å²	163	80.6 Å²	80.6	64%	0.639	44%	0.435	S	S	*	.			trans	-129.5	15.6	179	57.4	-93.9	0	0	0	112.6	K476 T646	K476-Y644 PolarHBondContact NZ-O 3.42Å; Y644-T646 PolarHBondContact O-N 3.32Å
645	N	93.3	Very high	90.2	Very high	42 Å²	42	77.7 Å²	77.7	23%	0.225	41%	0.414	C	S	.	.			trans	-87.7	80.7	-178.4	-173.5	7	0	0	0	110.7	W631 R647 G652 G653 C654	W631-N645 WeakPolarHBondContact CZ3-O 3.26Å; N645-R647 PolarHBondContact O-N 3.29Å; N645-R647 VanDerWaalsContact O-N 3.14Å; N645-R647 PolarHBondContact OD1-NE 2.85Å; N645-R647 VanDerWaalsContact OD1-NE 3.14Å; N645-G652 PolarHBondContact ND2-O 3.23Å; N645-G653 WeakPolarHBondContact ND2-CA 3.23Å; N645-C654 WeakPolarHBondContact O-CB 3.49Å; N645-C654 PolarHBondContact O-N 2.49Å; N645-C654 VanDerWaalsContact O-N 3.12Å
646	T	94.8	Very high	90.8	Very high	10 Å²	10	72.1 Å²	72.1	6%	0.061	38%	0.384	C	S	.	.			trans	-74.2	5.4	-174.9	60.6	0	0	0	0	114.9	V473 M475 K476 K629 W631 Y644 C655	V473-T646 WeakPolarHBondContact O-CB 3.3Å; V473-T646 WeakPolarHBondContact O-CG2 3.28Å; M475-T646 HydrophobicContact CG-CG2 4.45Å; K476-T646 HydrophobicContact CD-CG2 4.47Å; K629-T646 WeakPolarHBondContact CE-O 3.28Å; K629-T646 PolarHBondContact NZ-O 2.83Å; W631-T646 HydrophobicContact CH2-CG2 3.53Å; W631-T646 HydrophobicContact CZ2-CG2 3.88Å; W631-T646 HydrophobicContact CZ3-CG2 4.46Å; Y644-T646 PolarHBondContact O-N 3.32Å; T646-C655 VanDerWaalsContact CA-SG 3.55Å
647	R	95	Very high	91.3	Very high	137 Å²	137	75 Å²	75	52%	0.517	39%	0.393	S	S	.	.	S	Bend	trans	-68.8	160.7	175	-69.2	-177.8	-67.6	173.9	1.4	110.5	N645 Q651 G653 C654 C655	N645-R647 PolarHBondContact O-N 3.29Å; N645-R647 VanDerWaalsContact O-N 3.14Å; N645-R647 PolarHBondContact OD1-NE 2.85Å; N645-R647 VanDerWaalsContact OD1-NE 3.14Å; R647-Q651 HydrophobicContact CB-CB 4.28Å; R647-G653 CarbonylContact O-C 3.37Å; R647-G653 WeakPolarHBondContact O-CA 3.39Å; R647-C654 PolarHBondContact O-N 2.93Å; R647-C655 WeakPolarHBondContact O-CB 3.45Å; R647-C655 PolarHBondContact O-N 3.42Å
648	L	95.8	Very high	91.9	Very high	27 Å²	27	69.6 Å²	69.6	14%	0.141	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-73.7	156.2	174.2	-62.6	175.1	0	0	0	111.5	D650 Q651 G652 G653 C655 W657	L648-D650 VanDerWaalsContact C-N 3.31Å; L648-D650 WeakPolarHBondContact CB-OD1 3.47Å; L648-D650 PolarHBondContact O-N 3.04Å; L648-Q651 HydrophobicContact CB-CG 4.43Å; L648-Q651 CarbonylContact O-C 3.46Å; L648-Q651 WeakPolarHBondContact O-CA 3.38Å; L648-Q651 WeakPolarHBondContact O-CB 3.3Å; L648-Q651 PolarHBondContact O-N 3.11Å; L648-G652 PolarHBondContact O-N 2.87Å; L648-G653 VanDerWaalsContact O-CA 3.25Å; L648-G653 WeakPolarHBondContact O-CA 3.48Å; L648-G653 PolarHBondContact O-N 3.27Å; L648-C655 CarbonylContact C-O 3.51Å; L648-C655 VanDerWaalsContact CA-O 3.24Å; L648-C655 WeakPolarHBondContact CA-O 3.32Å; L648-C655 HydrophobicContact CD2-CB 4.3Å; L648-W657 HydrophobicContact CD2-CG 4.43Å
649	L	93.6	Very high	92.6	Very high	55 Å²	55	69 Å²	69	29%	0.288	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-58.1	-40.4	-179.3	-72.3	-179.7	0	0	0	113.5	Y632 S634 Q651 G652 C655 I656	Y632-L649 HydrophobicContact CD1-CD1 3.69Å; Y632-L649 HydrophobicContact CE1-CD1 4.31Å; Y632-L649 HydrophobicContact CG-CD1 4.39Å; S634-L649 WeakPolarHBondContact OG-CD1 3.4Å; S634-L649 VanDerWaalsContact OG-CD2 3.26Å; S634-L649 WeakPolarHBondContact OG-CD2 3.45Å; L649-Q651 PolarHBondContact O-N 3.05Å; L649-G652 PolarHBondContact O-N 2.8Å; L649-C655 PolarHBondContact N-O 2.99Å; L649-I656 HydrophobicContact CB-CG2 4.46Å; L649-I656 HydrophobicContact CD1-CG2 3.37Å; L649-I656 HydrophobicContact CG-CG2 3.72Å
650	D	93.3	Very high	93.3	Very high	138 Å²	138	59.2 Å²	59.2	74%	0.738	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-63.6	-16.9	174.5	61.4	-11.9	0	0	0	112.9	L648	L648-D650 VanDerWaalsContact C-N 3.31Å; L648-D650 WeakPolarHBondContact CB-OD1 3.47Å; L648-D650 PolarHBondContact O-N 3.04Å
651	Q	94.1	Very high	93.9	Very high	108 Å²	108	60.1 Å²	60.1	51%	0.505	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-104.3	18.4	174.9	-60.8	167.6	8.4	0	0	112.5	R647 L648 L649 G653	R647-Q651 HydrophobicContact CB-CB 4.28Å; L648-Q651 HydrophobicContact CB-CG 4.43Å; L648-Q651 CarbonylContact O-C 3.46Å; L648-Q651 WeakPolarHBondContact O-CA 3.38Å; L648-Q651 WeakPolarHBondContact O-CB 3.3Å; L648-Q651 PolarHBondContact O-N 3.11Å; L649-Q651 PolarHBondContact O-N 3.05Å; Q651-G653 VanDerWaalsContact C-N 3.25Å; Q651-G653 PolarHBondContact O-N 3.44Å
652	G	91.1	Very high	94.6	Very high	54 Å²	54	54.3 Å²	54.3	56%	0.557	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	23.6	-178.4	0	0	0	0	0	113.7	N645 L648 L649	N645-G652 PolarHBondContact ND2-O 3.23Å; L648-G652 PolarHBondContact O-N 2.87Å; L649-G652 PolarHBondContact O-N 2.8Å
653	G	93.4	Very high	95.1	Very high	9 Å²	9	51.6 Å²	51.6	9%	0.093	26%	0.264	C	S	.	.	S	Bend	trans	-92.5	-158.6	-178.3	0	0	0	0	0	114.7	N645 R647 L648 Q651	N645-G653 WeakPolarHBondContact ND2-CA 3.23Å; R647-G653 CarbonylContact O-C 3.37Å; R647-G653 WeakPolarHBondContact O-CA 3.39Å; L648-G653 VanDerWaalsContact O-CA 3.25Å; L648-G653 WeakPolarHBondContact O-CA 3.48Å; L648-G653 PolarHBondContact O-N 3.27Å; Q651-G653 VanDerWaalsContact C-N 3.25Å; Q651-G653 PolarHBondContact O-N 3.44Å
654	C	95.6	Very high	95.5	Very high	7 Å²	7	51 Å²	51	5%	0.047	26%	0.258	C	S	.	.	S	Bend	trans	-131.1	12.8	178.2	-76.4	0	0	0	0	113.4	W631 Y632 H633 C643 N645 R647	W631-C654 HydrophobicContact CE3-CB 4.04Å; W631-C654 HydrophobicContact CZ3-CB 4Å; Y632-C654 PolarHBondContact N-O 3.15Å; H633-C654 PolarHBondContact N-O 2.91Å; C643-C654 VanDerWaalsContact SG-SG 3.69Å; N645-C654 WeakPolarHBondContact O-CB 3.49Å; N645-C654 PolarHBondContact O-N 2.49Å; N645-C654 VanDerWaalsContact O-N 3.12Å; R647-C654 PolarHBondContact O-N 2.93Å
655	C	96.5	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158.1	-178.9	-57.2	0	0	0	0	112.5	V473 K629 V630 W631 T646 R647 L648 L649	V473-C655 HydrophobicContact CG2-CB 4.3Å; V473-C655 WeakPolarHBondContact CG2-SG 3.28Å; K629-C655 HydrophobicContact CG-CB 4.19Å; V630-C655 CarbonylContact O-C 3.52Å; V630-C655 WeakPolarHBondContact O-CA 3.39Å; V630-C655 WeakPolarHBondContact O-CB 3.44Å; W631-C655 VanDerWaalsContact CE3-SG 3.55Å; T646-C655 VanDerWaalsContact CA-SG 3.55Å; R647-C655 WeakPolarHBondContact O-CB 3.45Å; R647-C655 PolarHBondContact O-N 3.42Å; L648-C655 CarbonylContact C-O 3.51Å; L648-C655 VanDerWaalsContact CA-O 3.24Å; L648-C655 WeakPolarHBondContact CA-O 3.32Å; L648-C655 HydrophobicContact CD2-CB 4.3Å; L649-C655 PolarHBondContact N-O 2.99Å
656	I	96.5	Very high	95.8	Very high	38 Å²	38	49 Å²	49	20%	0.195	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	164.1	168.1	63.7	171.9	0	0	0	110	K629 V630 Y632 L649 Y658	K629-I656 WeakPolarHBondContact CA-O 3.41Å; V630-I656 HydrophobicContact CG2-CD1 4.38Å; V630-I656 HydrophobicContact CG2-CG1 3.7Å; V630-I656 PolarHBondContact N-O 2.92Å; V630-I656 PolarHBondContact O-N 2.69Å; Y632-I656 HydrophobicContact CD1-CG2 4.42Å; Y632-I656 HydrophobicContact CD2-CD1 3.38Å; Y632-I656 HydrophobicContact CD2-CG1 4.1Å; Y632-I656 HydrophobicContact CE2-CD1 3.87Å; Y632-I656 HydrophobicContact CG-CD1 3.94Å; Y632-I656 HydrophobicContact CG-CG1 4.29Å; Y632-I656 HydrophobicContact CG-CG2 4.07Å; L649-I656 HydrophobicContact CB-CG2 4.46Å; L649-I656 HydrophobicContact CD1-CG2 3.37Å; L649-I656 HydrophobicContact CG-CG2 3.72Å; I656-Y658 HydrophobicContact CD1-CD2 4.28Å
657	W	97.5	Very high	95.7	Very high	73 Å²	73	48.7 Å²	48.7	28%	0.277	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101.5	163.5	-73.2	106.9	0	0	0	109.5	P486 E487 K627 E628 K629 L648	P486-W657 HydrophobicContact CB-CH2 3.41Å; P486-W657 VanDerWaalsContact CB-CH2 3.41Å; P486-W657 HydrophobicContact CB-CZ2 3.88Å; P486-W657 HydrophobicContact CB-CZ3 4.02Å; E487-W657 HydrophobicContact CG-CH2 4.46Å; K627-W657 HydrophobicContact CB-CB 4.24Å; K627-W657 HydrophobicContact CB-CE3 3.82Å; K627-W657 HydrophobicContact CD-CB 4.1Å; K627-W657 WeakPolarHBondContact O-CZ3 3.28Å; E628-W657 CarbonylContact O-C 3.5Å; E628-W657 WeakPolarHBondContact O-CA 3.43Å; K629-W657 HydrophobicContact CB-CD2 4.42Å; K629-W657 HydrophobicContact CB-CE3 4.04Å; K629-W657 HydrophobicContact CB-CH2 3.94Å; K629-W657 HydrophobicContact CB-CZ2 4.34Å; K629-W657 HydrophobicContact CB-CZ3 3.81Å; K629-W657 HydrophobicContact CD-CZ2 4.45Å; L648-W657 HydrophobicContact CD2-CG 4.43Å
658	Y	97.3	Very high	95.7	Very high	13 Å²	13	43.8 Å²	43.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.2	174.9	-157.2	-113.6	0	0	0	110.7	T595 L596 D598 K627 E628 V630 I656 E660 L663	T595-Y658 HydrophobicContact CG2-CD1 4.24Å; T595-Y658 HydrophobicContact CG2-CE1 3.65Å; L596-Y658 PolarHBondContact O-OH 2.85Å; D598-Y658 PolarHBondContact N-OH 2.9Å; D598-Y658 WeakPolarHBondContact OD1-CE2 3.28Å; D598-Y658 PolarHBondContact OD1-OH 2.73Å; K627-Y658 CarbonylContact C-O 3.59Å; K627-Y658 VanDerWaalsContact CA-O 3.28Å; K627-Y658 WeakPolarHBondContact CA-O 3.45Å; E628-Y658 PolarHBondContact N-O 2.79Å; E628-Y658 WeakPolarHBondContact O-CB 3.41Å; E628-Y658 PolarHBondContact O-N 3.03Å; V630-Y658 HydrophobicContact CG2-CD2 4.36Å; V630-Y658 HydrophobicContact CG2-CG 4.28Å; I656-Y658 HydrophobicContact CD1-CD2 4.28Å; Y658-E660 HydrophobicContact CD1-CG 3.66Å; Y658-E660 HydrophobicContact CE1-CG 3.69Å; Y658-L663 HydrophobicContact CD1-CD1 4.23Å; Y658-L663 HydrophobicContact CD2-CD1 4.48Å; Y658-L663 HydrophobicContact CE1-CD1 3.44Å; Y658-L663 VanDerWaalsContact CE1-CD1 3.44Å; Y658-L663 HydrophobicContact CE2-CD1 3.76Å; Y658-L663 VanDerWaalsContact OH-CD1 3.24Å; Y658-L663 WeakPolarHBondContact OH-CD1 3.43Å
659	N	97.6	Very high	95.5	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	26%	0.264	S	S	.	.			trans	-118.3	78.3	-170.1	-171.1	6.7	0	0	0	110.5	K627 P661 N662 L663	K627-N659 HydrophobicContact CD-CB 4.41Å; K627-N659 HydrophobicContact CG-CB 4.17Å; N659-P661 VanDerWaalsContact C-CD 3.49Å; N659-P661 WeakPolarHBondContact OD1-CD 3.17Å; N659-N662 HydrophobicContact CB-CB 4.19Å; N659-N662 WeakPolarHBondContact ND2-CB 3.41Å; N659-N662 PolarHBondContact O-N 2.66Å; N659-N662 VanDerWaalsContact O-N 3.11Å; N659-L663 PolarHBondContact O-N 3Å; N659-L663 VanDerWaalsContact O-N 3.09Å
660	E	98	Very high	95.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-35.3	-179.9	-65.2	-169.4	126.8	0	0	114.7	K497 T595 L596 V623 S624 Y658 N662 L663 L664	K497-E660 WeakPolarHBondContact CE-OE2 3.04Å; K497-E660 IonicContact NZ-OE1 3.47Å; K497-E660 PolarHBondContact NZ-OE1 3.17Å; K497-E660 IonicContact NZ-OE2 2.69Å; K497-E660 PolarHBondContact NZ-OE2 2.77Å; T595-E660 WeakPolarHBondContact CA-OE1 3.47Å; T595-E660 WeakPolarHBondContact CG2-OE1 3.32Å; L596-E660 HydrophobicContact CD1-CB 4.3Å; L596-E660 PolarHBondContact N-OE1 3.48Å; V623-E660 HydrophobicContact CG1-CB 3.94Å; S624-E660 VanDerWaalsContact CB-OE2 3.24Å; S624-E660 WeakPolarHBondContact CB-OE2 3.46Å; S624-E660 PolarHBondContact N-OE2 3.47Å; Y658-E660 HydrophobicContact CD1-CG 3.66Å; Y658-E660 HydrophobicContact CE1-CG 3.69Å; E660-N662 VanDerWaalsContact C-N 3.25Å; E660-N662 PolarHBondContact O-N 2.77Å; E660-L663 PolarHBondContact O-N 2.53Å; E660-L663 VanDerWaalsContact O-N 3.17Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.14Å
661	P	97.3	Very high	94.9	Very high	40 Å²	40	43.8 Å²	43.8	26%	0.26	23%	0.231	S	C	.	.	H	α-helix	trans	-57.3	-39.1	172.7	-28.9	36.4	0	0	0	113	S624 N659 N665	S624-P661 VanDerWaalsContact O-CD 3.22Å; S624-P661 WeakPolarHBondContact O-CD 3.43Å; S624-P661 VanDerWaalsContact O-CG 3.23Å; S624-P661 WeakPolarHBondContact O-CG 3.3Å; N659-P661 VanDerWaalsContact C-CD 3.49Å; N659-P661 WeakPolarHBondContact OD1-CD 3.17Å; P661-N665 VanDerWaalsContact O-CG 3.23Å; P661-N665 PolarHBondContact O-N 2.9Å; P661-N665 VanDerWaalsContact O-N 3.1Å; P661-N665 PolarHBondContact O-ND2 3.09Å; P661-N665 PolarHBondContact O-OD1 3.23Å
662	N	97.7	Very high	94.5	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-71.5	-40	176.1	-175.8	80.5	0	0	0	112	N659 E660 L664 N665 E666	N659-N662 HydrophobicContact CB-CB 4.19Å; N659-N662 WeakPolarHBondContact ND2-CB 3.41Å; N659-N662 PolarHBondContact O-N 2.66Å; N659-N662 VanDerWaalsContact O-N 3.11Å; E660-N662 VanDerWaalsContact C-N 3.25Å; E660-N662 PolarHBondContact O-N 2.77Å; N662-L664 VanDerWaalsContact C-N 3.3Å; N662-L664 PolarHBondContact O-N 3.47Å; N662-N665 WeakPolarHBondContact O-CB 3.49Å; N662-N665 PolarHBondContact O-N 3.37Å; N662-E666 PolarHBondContact ND2-OE1 3.02Å; N662-E666 WeakPolarHBondContact O-CG 3.32Å; N662-E666 PolarHBondContact O-N 2.89Å
663	L	97.5	Very high	94.3	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-38.3	175.5	-66.1	169.9	0	0	0	111.7	L596 Y658 N659 E660 E666 I667	L596-L663 HydrophobicContact CB-CB 4.5Å; L596-L663 HydrophobicContact CD1-CB 4.17Å; Y658-L663 HydrophobicContact CD1-CD1 4.23Å; Y658-L663 HydrophobicContact CD2-CD1 4.48Å; Y658-L663 HydrophobicContact CE1-CD1 3.44Å; Y658-L663 VanDerWaalsContact CE1-CD1 3.44Å; Y658-L663 HydrophobicContact CE2-CD1 3.76Å; Y658-L663 VanDerWaalsContact OH-CD1 3.24Å; Y658-L663 WeakPolarHBondContact OH-CD1 3.43Å; N659-L663 PolarHBondContact O-N 3Å; N659-L663 VanDerWaalsContact O-N 3.09Å; E660-L663 PolarHBondContact O-N 2.53Å; E660-L663 VanDerWaalsContact O-N 3.17Å; L663-E666 PolarHBondContact O-N 3.15Å; L663-I667 WeakPolarHBondContact O-CB 3.45Å; L663-I667 WeakPolarHBondContact O-CD1 3.22Å; L663-I667 VanDerWaalsContact O-CG1 3.22Å; L663-I667 WeakPolarHBondContact O-CG1 3.39Å; L663-I667 PolarHBondContact O-N 3.24Å
664	L	97.7	Very high	94.2	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-48.3	173.2	178.6	59.9	0	0	0	110.6	V447 L596 V623 E660 N662 E666 I667 E668 I675	V447-L664 HydrophobicContact CG1-CD2 4.09Å; V447-L664 HydrophobicContact CG2-CD1 3.75Å; V447-L664 HydrophobicContact CG2-CD2 4.24Å; L596-L664 HydrophobicContact CD1-CB 3.97Å; V623-L664 HydrophobicContact CG1-CB 4.47Å; V623-L664 HydrophobicContact CG1-CD2 4.21Å; E660-L664 WeakPolarHBondContact O-CB 3.46Å; E660-L664 PolarHBondContact O-N 3.14Å; N662-L664 VanDerWaalsContact C-N 3.3Å; N662-L664 PolarHBondContact O-N 3.47Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 3.44Å; L664-I667 WeakPolarHBondContact O-CB 3.42Å; L664-I667 PolarHBondContact O-N 2.92Å; L664-I667 VanDerWaalsContact O-N 3.09Å; L664-E668 HydrophobicContact CD1-CG 4.11Å; L664-E668 HydrophobicContact CG-CG 4.4Å; L664-E668 WeakPolarHBondContact O-CG 3.33Å; L664-E668 PolarHBondContact O-N 3.39Å; L664-I675 HydrophobicContact CD1-CD1 4.1Å
665	N	96.5	Very high	94.1	Very high	93 Å²	93	47.4 Å²	47.4	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-57.6	-43.5	176.4	-66.9	-15.5	0	0	0	112	P661 N662 I667 E668 E669	P661-N665 VanDerWaalsContact O-CG 3.23Å; P661-N665 PolarHBondContact O-N 2.9Å; P661-N665 VanDerWaalsContact O-N 3.1Å; P661-N665 PolarHBondContact O-ND2 3.09Å; P661-N665 PolarHBondContact O-OD1 3.23Å; N662-N665 WeakPolarHBondContact O-CB 3.49Å; N662-N665 PolarHBondContact O-N 3.37Å; N665-I667 VanDerWaalsContact C-N 3.3Å; N665-I667 PolarHBondContact O-N 2.79Å; N665-E668 PolarHBondContact O-N 2.93Å; N665-E669 WeakPolarHBondContact O-CB 3.29Å; N665-E669 PolarHBondContact O-N 3.3Å
666	E	94.7	Very high	93.9	Very high	71 Å²	71	52.3 Å²	52.3	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-34.8	177.3	-72.7	176.1	-159.5	0	0	112.5	K600 N662 L663 L664 H670	K600-E666 HydrophobicContact CD-CB 4.4Å; N662-E666 PolarHBondContact ND2-OE1 3.02Å; N662-E666 WeakPolarHBondContact O-CG 3.32Å; N662-E666 PolarHBondContact O-N 2.89Å; L663-E666 PolarHBondContact O-N 3.15Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 3.44Å; E666-H670 WeakPolarHBondContact O-CB 3.34Å; E666-H670 PolarHBondContact O-N 2.81Å
667	I	94.1	Very high	93.8	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-68.6	-48.9	174.4	-71.4	160.8	0	0	0	110.2	L596 K600 Y603 L663 L664 N665 E669 H670 L671 I675	L596-I667 HydrophobicContact CD1-CD1 4.22Å; L596-I667 HydrophobicContact CD2-CD1 4.19Å; K600-I667 HydrophobicContact CB-CG1 3.91Å; Y603-I667 HydrophobicContact CD1-CG2 3.47Å; Y603-I667 VanDerWaalsContact CD1-CG2 3.47Å; Y603-I667 HydrophobicContact CD2-CD1 3.75Å; Y603-I667 HydrophobicContact CD2-CG2 4.29Å; Y603-I667 HydrophobicContact CE1-CG2 3.8Å; Y603-I667 HydrophobicContact CE2-CD1 4.49Å; Y603-I667 HydrophobicContact CG-CD1 3.87Å; Y603-I667 HydrophobicContact CG-CG1 4.21Å; Y603-I667 HydrophobicContact CG-CG2 3.76Å; L663-I667 WeakPolarHBondContact O-CB 3.45Å; L663-I667 WeakPolarHBondContact O-CD1 3.22Å; L663-I667 VanDerWaalsContact O-CG1 3.22Å; L663-I667 WeakPolarHBondContact O-CG1 3.39Å; L663-I667 PolarHBondContact O-N 3.24Å; L664-I667 WeakPolarHBondContact O-CB 3.42Å; L664-I667 PolarHBondContact O-N 2.92Å; L664-I667 VanDerWaalsContact O-N 3.09Å; N665-I667 VanDerWaalsContact C-N 3.3Å; N665-I667 PolarHBondContact O-N 2.79Å; I667-E669 PolarHBondContact O-N 3.36Å; I667-H670 WeakPolarHBondContact O-CB 3.44Å; I667-H670 PolarHBondContact O-N 3.33Å; I667-H670 VanDerWaalsContact O-N 3.15Å; I667-L671 HydrophobicContact CG2-CD1 3.84Å; I667-L671 HydrophobicContact CG2-CG 4.35Å; I667-L671 VanDerWaalsContact O-CG 3.29Å; I667-L671 WeakPolarHBondContact O-CG 3.43Å; I667-L671 PolarHBondContact O-N 3.3Å; I667-I675 HydrophobicContact CG2-CD1 4.14Å
668	E	94.9	Very high	93.6	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.154	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-41.9	179.2	-71.4	-171.2	151.7	0	0	112.1	L664 N665 H670 L671 G672 V673 T674 I675	L664-E668 HydrophobicContact CD1-CG 4.11Å; L664-E668 HydrophobicContact CG-CG 4.4Å; L664-E668 WeakPolarHBondContact O-CG 3.33Å; L664-E668 PolarHBondContact O-N 3.39Å; N665-E668 PolarHBondContact O-N 2.93Å; E668-H670 VanDerWaalsContact C-N 3.33Å; E668-H670 PolarHBondContact O-N 2.98Å; E668-L671 PolarHBondContact O-N 3.2Å; E668-G672 WeakPolarHBondContact O-CA 3.29Å; E668-G672 PolarHBondContact O-N 3.46Å; E668-V673 VanDerWaalsContact CA-O 3.29Å; E668-V673 WeakPolarHBondContact CA-O 3.35Å; E668-V673 WeakPolarHBondContact CB-O 3.4Å; E668-V673 WeakPolarHBondContact CG-O 3.35Å; E668-V673 PolarHBondContact O-N 2.95Å; E668-T674 WeakPolarHBondContact OE1-CA 3.37Å; E668-T674 WeakPolarHBondContact OE1-CG2 3.42Å; E668-I675 HydrophobicContact CG-CD1 4.31Å; E668-I675 HydrophobicContact CG-CG1 4.12Å; E668-I675 PolarHBondContact OE1-N 3.02Å
669	E	91.6	Very high	93.4	Very high	150 Å²	150	54.3 Å²	54.3	70%	0.701	31%	0.308	S	S	*	.	H	α-helix	trans	-61.5	-42.3	173	-174.1	-172.9	175.2	0	0	111.5	N665 I667 L671 G672	N665-E669 WeakPolarHBondContact O-CB 3.29Å; N665-E669 PolarHBondContact O-N 3.3Å; I667-E669 PolarHBondContact O-N 3.36Å; E669-L671 VanDerWaalsContact C-N 3.35Å; E669-G672 PolarHBondContact O-N 3.41Å
670	H	86.2	Confident	93.1	Very high	47 Å²	47	57 Å²	57	22%	0.218	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-36.9	178.3	-177.4	72.4	0	0	0	113	D437 K600 E666 I667 E668	D437-H670 WeakPolarHBondContact CB-NE2 3.5Å; D437-H670 IonicContact OD2-CE1 2.71Å; D437-H670 PolarHBondContact OD2-CE1 3.28Å; D437-H670 IonicContact OD2-NE2 3.28Å; D437-H670 PolarHBondContact OD2-NE2 3.45Å; K600-H670 HydrophobicContact CB-CB 4.4Å; K600-H670 HydrophobicContact CD-CB 3.8Å; K600-H670 WeakPolarHBondContact CE-ND1 3.28Å; K600-H670 HydrophobicContact CG-CB 4.15Å; E666-H670 WeakPolarHBondContact O-CB 3.34Å; E666-H670 PolarHBondContact O-N 2.81Å; I667-H670 WeakPolarHBondContact O-CB 3.44Å; I667-H670 PolarHBondContact O-N 3.33Å; I667-H670 VanDerWaalsContact O-N 3.15Å; E668-H670 VanDerWaalsContact C-N 3.33Å; E668-H670 PolarHBondContact O-N 2.98Å
671	L	86.8	Confident	92.8	Very high	23 Å²	23	60.6 Å²	60.6	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-84.3	-15.9	178	-62.3	178	0	0	0	113	V439 Y603 V604 I667 E668 E669 V673 I675	V439-L671 HydrophobicContact CG2-CD1 3.77Å; V439-L671 HydrophobicContact CG2-CD2 3.79Å; V439-L671 HydrophobicContact CG2-CG 4.36Å; Y603-L671 HydrophobicContact CD1-CD1 4.22Å; Y603-L671 HydrophobicContact CE1-CD1 4.04Å; V604-L671 HydrophobicContact CG2-CD2 3.77Å; I667-L671 HydrophobicContact CG2-CD1 3.84Å; I667-L671 HydrophobicContact CG2-CG 4.35Å; I667-L671 VanDerWaalsContact O-CG 3.29Å; I667-L671 WeakPolarHBondContact O-CG 3.43Å; I667-L671 PolarHBondContact O-N 3.3Å; E668-L671 PolarHBondContact O-N 3.2Å; E669-L671 VanDerWaalsContact C-N 3.35Å; L671-V673 HydrophobicContact CB-CG2 3.77Å; L671-V673 PolarHBondContact O-N 3.37Å; L671-I675 HydrophobicContact CD1-CD1 4.4Å
672	G	85.8	Confident	92.5	Very high	66 Å²	66	58.7 Å²	58.7	68%	0.68	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	21	-174.1	0	0	0	0	0	114	E668 E669	E668-G672 WeakPolarHBondContact O-CA 3.29Å; E668-G672 PolarHBondContact O-N 3.46Å; E669-G672 PolarHBondContact O-N 3.41Å
673	V	86.9	Confident	92	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.436	33%	0.328	S	S	.	.	S	Bend	trans	-140.9	149.9	-177.7	-59.9	0	0	0	0	111.1	E668 L671	E668-V673 VanDerWaalsContact CA-O 3.29Å; E668-V673 WeakPolarHBondContact CA-O 3.35Å; E668-V673 WeakPolarHBondContact CB-O 3.4Å; E668-V673 WeakPolarHBondContact CG-O 3.35Å; E668-V673 PolarHBondContact O-N 2.95Å; L671-V673 HydrophobicContact CB-CG2 3.77Å; L671-V673 PolarHBondContact O-N 3.37Å
674	T	91	Very high	91.3	Very high	115 Å²	115	58.7 Å²	58.7	71%	0.706	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-88.1	130.4	167	-58.3	0	0	0	0	108.9	E668	E668-T674 WeakPolarHBondContact OE1-CA 3.37Å; E668-T674 WeakPolarHBondContact OE1-CG2 3.42Å
675	I	93.4	Very high	89.9	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-83.9	134.4	-177	-55.4	172.3	0	0	0	109	V447 Y603 L664 I667 E668 L671 T677	V447-I675 HydrophobicContact CG2-CB 4.01Å; V447-I675 HydrophobicContact CG2-CD1 4.47Å; V447-I675 HydrophobicContact CG2-CG2 3.82Å; Y603-I675 HydrophobicContact CE1-CD1 4.05Å; L664-I675 HydrophobicContact CD1-CD1 4.1Å; I667-I675 HydrophobicContact CG2-CD1 4.14Å; E668-I675 HydrophobicContact CG-CD1 4.31Å; E668-I675 HydrophobicContact CG-CG1 4.12Å; E668-I675 PolarHBondContact OE1-N 3.02Å; L671-I675 HydrophobicContact CD1-CD1 4.4Å; I675-T677 PolarHBondContact O-N 3.39Å
676	D	92.3	Very high	88.1	Confident	102 Å²	102	61.5 Å²	61.5	55%	0.545	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-58.3	130.5	179.9	-75.5	-25.8	0	0	0	111.6	V446 V447	V446-D676 CarbonylContact C-O 3.47Å; V446-D676 VanDerWaalsContact CA-O 3.29Å; V446-D676 WeakPolarHBondContact CA-O 3.5Å; V446-D676 HydrophobicContact CG1-CB 4.36Å; V447-D676 PolarHBondContact N-O 3.47Å
677	T	94.1	Very high	86	Confident	84 Å²	84	65.4 Å²	65.4	52%	0.515	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.6	178.6	-60.2	0	0	0	0	110.5	V447 L449 I675	V447-T677 CarbonylContact O-C 3.6Å; V447-T677 VanDerWaalsContact O-CA 3.27Å; V447-T677 WeakPolarHBondContact O-CA 3.39Å; L449-T677 HydrophobicContact CD1-CG2 4.06Å; L449-T677 HydrophobicContact CG-CG2 3.95Å; I675-T677 PolarHBondContact O-N 3.39Å
678	V	93.8	Very high	83.9	Confident	9 Å²	9	68 Å²	68	6%	0.055	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	157.6	174	-63.6	0	0	0	0	111.3	V446 V447 C448 L682 I684	V446-V678 HydrophobicContact CB-CG1 3.92Å; V446-V678 HydrophobicContact CB-CG2 4.4Å; V446-V678 HydrophobicContact CG1-CG1 3.98Å; V446-V678 HydrophobicContact CG2-CG1 4.14Å; V446-V678 HydrophobicContact CG2-CG2 4.12Å; V447-V678 WeakPolarHBondContact O-CG2 3.5Å; V447-V678 PolarHBondContact O-N 2.99Å; C448-V678 HydrophobicContact CB-CG2 3.86Å; V678-L682 HydrophobicContact CG2-CD2 4.03Å; V678-I684 HydrophobicContact CG1-CG1 4.42Å
679	D	92.8	Very high	81.8	Confident	74 Å²	74	69.7 Å²	69.7	40%	0.396	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-69.8	173.1	178.5	78.3	-3.3	0	0	0	112.7	C448 N681 L682 T683	C448-D679 PolarHBondContact SG-O 2.91Å; C448-D679 VanDerWaalsContact SG-O 3.39Å; D679-N681 PolarHBondContact O-N 3.44Å; D679-N681 VanDerWaalsContact O-N 3.13Å; D679-N681 WeakPolarHBondContact OD1-CA 3.44Å; D679-N681 WeakPolarHBondContact OD1-CB 3.15Å; D679-N681 PolarHBondContact OD1-N 3.26Å; D679-N681 PolarHBondContact OD2-ND2 2.92Å; D679-L682 PolarHBondContact O-N 3.4Å; D679-L682 PolarHBondContact OD1-N 3.17Å; D679-L682 VanDerWaalsContact OD1-N 3.08Å; D679-T683 PolarHBondContact OD1-N 3.19Å
680	K	92	Very high	79.7	Confident	106 Å²	106	67.6 Å²	67.6	46%	0.461	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.4	176.9	68.2	177.8	-177.1	-180	0	114.1	Y500 R503	Y500-K680 HydrophobicContact CE1-CB 4.15Å; Y500-K680 WeakPolarHBondContact OH-CB 3.48Å; R503-K680 WeakPolarHBondContact CD-O 3.32Å; R503-K680 PolarHBondContact NH1-O 3.12Å
681	N	91.9	Very high	78	Confident	78 Å²	78	68 Å²	68	42%	0.417	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.9	176.9	-54.8	-52.3	0	0	0	111.5	Q507 D679 T683	Q507-N681 WeakPolarHBondContact CG-O 3.27Å; D679-N681 PolarHBondContact O-N 3.44Å; D679-N681 VanDerWaalsContact O-N 3.13Å; D679-N681 WeakPolarHBondContact OD1-CA 3.44Å; D679-N681 WeakPolarHBondContact OD1-CB 3.15Å; D679-N681 PolarHBondContact OD1-N 3.26Å; D679-N681 PolarHBondContact OD2-ND2 2.92Å; N681-T683 PolarHBondContact O-N 2.95Å
682	L	91.4	Very high	76.5	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	44%	0.439	C	S	.	.			trans	57.6	34.9	-178.9	-67.7	153.1	0	0	0	111.6	C448 R503 A504 Q507 Q508 I620 V678 D679 I684	C448-L682 HydrophobicContact CB-CD2 3.47Å; C448-L682 VanDerWaalsContact CB-CD2 3.47Å; C448-L682 HydrophobicContact CB-CG 4.47Å; C448-L682 VanDerWaalsContact SG-CD2 3.5Å; R503-L682 HydrophobicContact CB-CD1 3.98Å; R503-L682 HydrophobicContact CG-CD1 4.08Å; A504-L682 HydrophobicContact CB-CD1 3.8Å; Q507-L682 HydrophobicContact CG-CB 4.42Å; Q507-L682 WeakPolarHBondContact CG-O 3.41Å; Q508-L682 PolarHBondContact NE2-O 3.1Å; I620-L682 HydrophobicContact CD1-CD2 4.42Å; I620-L682 HydrophobicContact CG2-CD2 3.76Å; V678-L682 HydrophobicContact CG2-CD2 4.03Å; D679-L682 PolarHBondContact O-N 3.4Å; D679-L682 PolarHBondContact OD1-N 3.17Å; D679-L682 VanDerWaalsContact OD1-N 3.08Å; L682-I684 PolarHBondContact O-N 3.13Å
683	T	87.2	Confident	75.4	Confident	72 Å²	72	73.1 Å²	73.1	44%	0.442	42%	0.418	S	S	.	.			trans	-79.6	112.8	173.7	-53.1	0	0	0	0	108.2	Q507 D679 N681	Q507-T683 PolarHBondContact NE2-OG1 3.49Å; D679-T683 PolarHBondContact OD1-N 3.19Å; N681-T683 PolarHBondContact O-N 2.95Å
684	I	82.8	Confident	74.6	Confident	17 Å²	17	73.5 Å²	73.5	9%	0.087	42%	0.421	C	S	.	.			trans	-85.5	123.2	-177.1	-62.5	178.1	0	0	0	108.4	H444 Q508 L618 I620 V678 L682 V686	H444-I684 WeakPolarHBondContact CE1-CG2 3.09Å; Q508-I684 HydrophobicContact CG-CD1 4.23Å; L618-I684 HydrophobicContact CD1-CD1 3.56Å; L618-I684 HydrophobicContact CD2-CD1 3.17Å; L618-I684 HydrophobicContact CG-CD1 3.97Å; I620-I684 HydrophobicContact CD1-CD1 4.39Å; V678-I684 HydrophobicContact CG1-CG1 4.42Å; L682-I684 PolarHBondContact O-N 3.13Å; I684-V686 PolarHBondContact O-N 3.39Å
685	P	67	Low	74.2	Confident	75 Å²	75	69.7 Å²	69.7	49%	0.487	39%	0.393	S	S	.	.			trans	-54.9	130.4	178.4	-23.9	32.5	0	0	0	111.1	D687	P685-D687 PolarHBondContact O-N 3.15Å
686	V	59.6	Low	73.1	Confident	93 Å²	93	70.4 Å²	70.4	56%	0.564	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-73.1	-20.6	-178.4	-172.3	0	0	0	0	111.3	I684 A688 F689 D690	I684-V686 PolarHBondContact O-N 3.39Å; V686-A688 PolarHBondContact O-N 2.72Å; V686-F689 PolarHBondContact O-N 2.84Å; V686-D690 PolarHBondContact O-N 3Å
687	D	49.7	Very low	72	Confident	153 Å²	153	70.2 Å²	70.2	82%	0.818	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-72.5	-22	-163.6	-65.8	-29	0	0	0	115	P685 F689	P685-D687 PolarHBondContact O-N 3.15Å; D687-F689 PolarHBondContact O-N 3.41Å
688	A	51.9	Low	70.6	Confident	58 Å²	58	72.2 Å²	72.2	48%	0.479	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-70.2	-22	177.8	0	0	0	0	0	112.8	V686	V686-A688 PolarHBondContact O-N 2.72Å
689	F	49.4	Very low	68.9	Low	68 Å²	68	75.2 Å²	75.2	30%	0.298	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	31.4	-171.1	-76.3	-81.6	0	0	0	114.6	M616 V686 D687 G691 K692 V693	M616-F689 HydrophobicContact CE-CD1 4.08Å; M616-F689 HydrophobicContact CE-CD2 4.26Å; M616-F689 HydrophobicContact CE-CE1 3.61Å; M616-F689 HydrophobicContact CE-CE2 3.83Å; M616-F689 HydrophobicContact CE-CG 4.38Å; M616-F689 HydrophobicContact CE-CZ 3.48Å; M616-F689 VanDerWaalsContact CE-CZ 3.48Å; M616-F689 HydrophobicContact SD-CE1 4.19Å; V686-F689 PolarHBondContact O-N 2.84Å; D687-F689 PolarHBondContact O-N 3.41Å; F689-G691 PolarHBondContact O-N 2.83Å; F689-K692 PolarHBondContact O-N 2.88Å; F689-V693 HydrophobicContact CB-CB 4.04Å; F689-V693 HydrophobicContact CB-CG2 3.53Å; F689-V693 HydrophobicContact CD1-CG2 3.92Å; F689-V693 HydrophobicContact CG-CG2 3.96Å
690	D	47.3	Very low	67	Low	105 Å²	105	79.9 Å²	79.9	56%	0.561	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	27.7	163.6	-138.7	30.7	0	0	0	114.9	V686 K692 M702	V686-D690 PolarHBondContact O-N 3Å; D690-K692 PolarHBondContact O-N 2.9Å; D690-M702 HydrophobicContact CB-CE 3.43Å; D690-M702 VanDerWaalsContact CB-CE 3.43Å; D690-M702 WeakPolarHBondContact OD2-CE 3.24Å
691	G	51	Low	64.8	Low	56 Å²	56	83.6 Å²	83.6	58%	0.577	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	11.7	177	0	0	0	0	0	116.9	F689	F689-G691 PolarHBondContact O-N 2.83Å
692	K	55	Low	62.3	Low	156 Å²	156	84.8 Å²	84.8	68%	0.678	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-4.3	-177	-74.8	173.9	-175.3	161.6	0	114.1	F689 D690 V694	F689-K692 PolarHBondContact O-N 2.88Å; D690-K692 PolarHBondContact O-N 2.9Å; K692-V694 PolarHBondContact O-N 3.48Å
693	V	63.3	Low	59.5	Low	41 Å²	41	89.2 Å²	89.2	25%	0.248	49%	0.488	C	S	.	.			trans	-82.8	117.7	-177.8	169.4	0	0	0	0	110.6	M616 F689 Y695	M616-V693 HydrophobicContact CB-CG1 3.49Å; M616-V693 VanDerWaalsContact CB-CG1 3.49Å; M616-V693 HydrophobicContact CE-CG1 4.41Å; M616-V693 HydrophobicContact CG-CG1 3.59Å; M616-V693 HydrophobicContact CG-CG2 4.12Å; F689-V693 HydrophobicContact CB-CB 4.04Å; F689-V693 HydrophobicContact CB-CG2 3.53Å; F689-V693 HydrophobicContact CD1-CG2 3.92Å; F689-V693 HydrophobicContact CG-CG2 3.96Å; V693-Y695 HydrophobicContact CG1-CD1 4.01Å; V693-Y695 HydrophobicContact CG1-CE1 3.86Å
694	V	70.7	Confident	57.3	Low	80 Å²	80	88.9 Å²	88.9	49%	0.485	49%	0.487	S	S	.	.			trans	-104.1	115.2	166.4	-177.8	0	0	0	0	106.8	K692 Q697	K692-V694 PolarHBondContact O-N 3.48Å; V694-Q697 HydrophobicContact CB-CB 4.34Å; V694-Q697 HydrophobicContact CB-CG 4.03Å; V694-Q697 HydrophobicContact CG1-CG 3.89Å; V694-Q697 WeakPolarHBondContact O-CB 3.37Å; V694-Q697 PolarHBondContact O-N 3.14Å; V694-Q697 VanDerWaalsContact O-N 3.15Å
695	Y	81	Confident	55.6	Low	34 Å²	34	96.4 Å²	96.4	13%	0.133	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	141.5	179.6	-56.3	-69.1	0	0	0	110.9	H444 Y590 M616 L618 V693 Q697	H444-Y695 HydrophobicContact CB-CE1 4Å; H444-Y695 AromaticContact ND1-CZ 3.81Å; H444-Y695 PolarHBondContact ND1-OH 3.38Å; Y590-Y695 AromaticContact CE1-CD2 3.62Å; Y590-Y695 HydrophobicContact CE1-CD2 3.62Å; Y590-Y695 AromaticContact CE1-CG 3.97Å; Y590-Y695 HydrophobicContact CE1-CG 3.97Å; M616-Y695 HydrophobicContact CB-CD1 4.09Å; M616-Y695 CarbonylContact O-C 3.43Å; M616-Y695 WeakPolarHBondContact O-CA 3.1Å; L618-Y695 HydrophobicContact CB-CD1 3.66Å; L618-Y695 HydrophobicContact CB-CD2 3.87Å; L618-Y695 HydrophobicContact CB-CE1 3.71Å; L618-Y695 HydrophobicContact CB-CE2 3.9Å; L618-Y695 HydrophobicContact CB-CG 3.75Å; L618-Y695 HydrophobicContact CD2-CD2 4.14Å; L618-Y695 HydrophobicContact CD2-CE2 3.8Å; L618-Y695 HydrophobicContact CG-CE2 4.35Å; V693-Y695 HydrophobicContact CG1-CD1 4.01Å; V693-Y695 HydrophobicContact CG1-CE1 3.86Å; Y695-Q697 VanDerWaalsContact C-N 3.28Å; Y695-Q697 PolarHBondContact O-N 2.77Å
696	G	71	Confident	54.7	Low	17 Å²	17	100.3 Å²	100.3	18%	0.175	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-13.1	-171.7	0	0	0	0	0	114.9	R615 M616	R615-G696 WeakPolarHBondContact CD-O 3.05Å; R615-G696 PolarHBondContact NE-O 3.24Å; M616-G696 PolarHBondContact O-N 3.31Å
697	Q	69.5	Low	54.2	Low	98 Å²	98	103.6 Å²	103.6	46%	0.458	53%	0.534	S	S	.	.	S	Bend	trans	-91.7	151.6	173.9	-62.3	-168.2	3.6	0	0	111.5	R615 M616 V694 Y695	R615-Q697 WeakPolarHBondContact CA-O 3.49Å; M616-Q697 PolarHBondContact N-O 3.32Å; V694-Q697 HydrophobicContact CB-CB 4.34Å; V694-Q697 HydrophobicContact CB-CG 4.03Å; V694-Q697 HydrophobicContact CG1-CG 3.89Å; V694-Q697 WeakPolarHBondContact O-CB 3.37Å; V694-Q697 PolarHBondContact O-N 3.14Å; V694-Q697 VanDerWaalsContact O-N 3.15Å; Y695-Q697 VanDerWaalsContact C-N 3.28Å; Y695-Q697 PolarHBondContact O-N 2.77Å
698	K	63.5	Low	54.3	Low	126 Å²	126	98.9 Å²	98.9	55%	0.548	51%	0.513	S	S	.	.	B	Isolated β-bridge	trans	-60.7	140.6	171.8	-76.2	-170	171.8	-165	0	108.6	E614 R615 K700	E614-K698 WeakPolarHBondContact O-CA 3.37Å; R615-K698 HydrophobicContact CG-CG 3.94Å; K698-K700 PolarHBondContact O-N 3.49Å
699	L	58.3	Low	54.4	Low	73 Å²	73	101.4 Å²	101.4	38%	0.382	52%	0.515	S	S	.	.			trans	-49.9	107.4	168.5	-103.1	134.4	0	0	0	108.5	T442 E614 M616 K701	T442-L699 HydrophobicContact CG2-CD1 4.05Å; E614-L699 PolarHBondContact O-N 3.1Å; M616-L699 HydrophobicContact CG-CD1 3.97Å; M616-L699 HydrophobicContact CG-CG 3.94Å; M616-L699 HydrophobicContact SD-CD1 3.57Å; M616-L699 VanDerWaalsContact SD-CD1 3.57Å; M616-L699 HydrophobicContact SD-CG 4.1Å; L699-K701 PolarHBondContact O-N 3.09Å
700	K	54	Low	55.1	Low	171 Å²	171	102.1 Å²	102.1	74%	0.743	52%	0.524	S	S	*	.			trans	-62	107	165.1	-77.1	-178.3	-179.7	174	0	104.1	K698 M702	K698-K700 PolarHBondContact O-N 3.49Å; K700-M702 VanDerWaalsContact C-N 3.31Å; K700-M702 PolarHBondContact O-N 2.86Å
701	K	45.4	Very low	56.1	Low	185 Å²	185	102.6 Å²	102.6	80%	0.804	53%	0.527	S	S	*	.			trans	-35.5	97.6	178.1	-73.1	-178.4	174.9	-179.3	0	108.7	L699 A703	L699-K701 PolarHBondContact O-N 3.09Å; K701-A703 PolarHBondContact O-N 2.93Å
702	M	38.5	Very low	57.1	Low	103 Å²	103	105.2 Å²	105.2	51%	0.507	53%	0.526	S	S	.	.			trans	-54.8	117.3	157	-76.2	-166	112.2	0	0	102.1	D690 K700 P704	D690-M702 HydrophobicContact CB-CE 3.43Å; D690-M702 VanDerWaalsContact CB-CE 3.43Å; D690-M702 WeakPolarHBondContact OD2-CE 3.24Å; K700-M702 VanDerWaalsContact C-N 3.31Å; K700-M702 PolarHBondContact O-N 2.86Å; M702-P704 VanDerWaalsContact O-CA 3.23Å; M702-P704 WeakPolarHBondContact O-CA 3.3Å; M702-P704 WeakPolarHBondContact O-CD 3.45Å
703	A	34.5	Very low	58.3	Low	93 Å²	93	101.9 Å²	101.9	77%	0.769	52%	0.516	S	S	*	.			trans	-39.2	111.2	-178.7	0	0	0	0	0	106.4	K701 K705	K701-A703 PolarHBondContact O-N 2.93Å; A703-K705 PolarHBondContact O-N 2.78Å
704	P	40.1	Very low	59.2	Low	64 Å²	64	102.3 Å²	102.3	42%	0.416	52%	0.523	S	S	.	.			trans	-66.2	141.2	-156.3	-22.3	34.9	0	0	0	105.7	M702 Y706	M702-P704 VanDerWaalsContact O-CA 3.23Å; M702-P704 WeakPolarHBondContact O-CA 3.3Å; M702-P704 WeakPolarHBondContact O-CD 3.45Å; P704-Y706 HydrophobicContact CB-CD1 4.45Å; P704-Y706 HydrophobicContact CB-CD2 3.24Å; P704-Y706 HydrophobicContact CB-CE2 3.51Å; P704-Y706 HydrophobicContact CB-CG 3.73Å; P704-Y706 HydrophobicContact CG-CD2 3.42Å; P704-Y706 VanDerWaalsContact CG-CD2 3.42Å; P704-Y706 HydrophobicContact CG-CE2 3.34Å; P704-Y706 HydrophobicContact CG-CG 4.39Å; P704-Y706 PolarHBondContact O-N 2.82Å
705	K	46.3	Very low	59.7	Low	176 Å²	176	102.3 Å²	102.3	77%	0.765	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	36	161.3	-83.8	-178	174	174.2	0	110.6	A703 Q707 S708 H709	A703-K705 PolarHBondContact O-N 2.78Å; K705-Q707 PolarHBondContact O-N 2.9Å; K705-Q707 VanDerWaalsContact O-N 3.08Å; K705-S708 WeakPolarHBondContact O-CA 3.36Å; K705-S708 PolarHBondContact O-N 2.85Å; K705-S708 PolarHBondContact O-OG 2.92Å; K705-H709 PolarHBondContact O-N 3.02Å; K705-H709 VanDerWaalsContact O-N 3.1Å
706	Y	47.8	Very low	59.9	Low	157 Å²	157	103.3 Å²	103.3	62%	0.616	54%	0.539	S	S	*	.	H	α-helix	trans	-47	-35.5	169.4	-88.5	-51.2	0	0	0	109.6	P704 S708 H709 V710	P704-Y706 HydrophobicContact CB-CD1 4.45Å; P704-Y706 HydrophobicContact CB-CD2 3.24Å; P704-Y706 HydrophobicContact CB-CE2 3.51Å; P704-Y706 HydrophobicContact CB-CG 3.73Å; P704-Y706 HydrophobicContact CG-CD2 3.42Å; P704-Y706 VanDerWaalsContact CG-CD2 3.42Å; P704-Y706 HydrophobicContact CG-CE2 3.34Å; P704-Y706 HydrophobicContact CG-CG 4.39Å; P704-Y706 PolarHBondContact O-N 2.82Å; Y706-S708 VanDerWaalsContact C-N 3.27Å; Y706-S708 PolarHBondContact O-N 2.83Å; Y706-H709 PolarHBondContact O-N 3.45Å; Y706-V710 WeakPolarHBondContact O-CA 3.44Å; Y706-V710 WeakPolarHBondContact O-CB 3.36Å; Y706-V710 WeakPolarHBondContact O-CG2 3.49Å; Y706-V710 PolarHBondContact O-N 2.88Å
707	Q	49.7	Very low	60.7	Low	162 Å²	162	107 Å²	107	76%	0.757	56%	0.558	S	S	*	*	H	α-helix	trans	-62.4	-33.5	177.4	-149	135.6	25.6	0	0	113.1	K705 N711	K705-Q707 PolarHBondContact O-N 2.9Å; K705-Q707 VanDerWaalsContact O-N 3.08Å; Q707-N711 WeakPolarHBondContact O-CB 3.38Å; Q707-N711 PolarHBondContact O-N 2.94Å; Q707-N711 PolarHBondContact O-ND2 3.19Å; Q707-N711 PolarHBondContact O-OD1 3.1Å
708	S	51.8	Low	61.6	Low	53 Å²	53	109.1 Å²	109.1	37%	0.371	57%	0.565	S	S	.	*	H	α-helix	trans	-78.3	-43	173.5	71.6	0	0	0	0	112.6	K705 Y706 N711 I712	K705-S708 WeakPolarHBondContact O-CA 3.36Å; K705-S708 PolarHBondContact O-N 2.85Å; K705-S708 PolarHBondContact O-OG 2.92Å; Y706-S708 VanDerWaalsContact C-N 3.27Å; Y706-S708 PolarHBondContact O-N 2.83Å; S708-N711 PolarHBondContact O-N 2.8Å; S708-I712 WeakPolarHBondContact O-CD1 3.44Å; S708-I712 VanDerWaalsContact O-CG1 3.24Å; S708-I712 WeakPolarHBondContact O-CG1 3.28Å; S708-I712 PolarHBondContact O-N 2.98Å
709	H	54.1	Low	62.9	Low	112 Å²	112	109.2 Å²	109.2	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-69.7	-39.4	-178.7	-117	-69.3	0	0	0	112.2	K705 Y706 N711 I712 L713	K705-H709 PolarHBondContact O-N 3.02Å; K705-H709 VanDerWaalsContact O-N 3.1Å; Y706-H709 PolarHBondContact O-N 3.45Å; H709-N711 VanDerWaalsContact C-N 3.32Å; H709-I712 PolarHBondContact O-N 2.66Å; H709-L713 VanDerWaalsContact O-CB 3.24Å; H709-L713 WeakPolarHBondContact O-CB 3.43Å; H709-L713 VanDerWaalsContact O-CG 3.24Å; H709-L713 WeakPolarHBondContact O-CG 3.17Å; H709-L713 PolarHBondContact O-N 3.44Å
710	V	64.4	Low	64.5	Low	82 Å²	82	111.3 Å²	111.3	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-63.2	-40.1	172.8	173.5	0	0	0	0	109.9	Y706 A714	Y706-V710 WeakPolarHBondContact O-CA 3.44Å; Y706-V710 WeakPolarHBondContact O-CB 3.36Å; Y706-V710 WeakPolarHBondContact O-CG2 3.49Å; Y706-V710 PolarHBondContact O-N 2.88Å; V710-A714 WeakPolarHBondContact O-CA 3.48Å; V710-A714 WeakPolarHBondContact O-CB 2.97Å; V710-A714 PolarHBondContact O-N 3.2Å
711	N	68.8	Low	66.3	Low	116 Å²	116	107.4 Å²	107.4	62%	0.62	57%	0.566	S	S	*	*	H	α-helix	trans	-66.8	-39.1	175.9	-75.3	-12.2	0	0	0	112.6	Q707 S708 H709	Q707-N711 WeakPolarHBondContact O-CB 3.38Å; Q707-N711 PolarHBondContact O-N 2.94Å; Q707-N711 PolarHBondContact O-ND2 3.19Å; Q707-N711 PolarHBondContact O-OD1 3.1Å; S708-N711 PolarHBondContact O-N 2.8Å; H709-N711 VanDerWaalsContact C-N 3.32Å
712	I	71.8	Confident	68.7	Low	110 Å²	110	102.9 Å²	102.9	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-65.5	-51.1	175.8	-67.5	162.9	0	0	0	109.8	S708 H709 A714 S715	S708-I712 WeakPolarHBondContact O-CD1 3.44Å; S708-I712 VanDerWaalsContact O-CG1 3.24Å; S708-I712 WeakPolarHBondContact O-CG1 3.28Å; S708-I712 PolarHBondContact O-N 2.98Å; H709-I712 PolarHBondContact O-N 2.66Å; I712-A714 VanDerWaalsContact C-N 3.32Å; I712-A714 PolarHBondContact O-N 3.13Å; I712-S715 PolarHBondContact O-OG 2.91Å
713	L	78.9	Confident	71.3	Confident	87 Å²	87	103.1 Å²	103.1	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-71.4	-23.2	-178.1	-68.9	170.7	0	0	0	113	H709 S715 S716 V717	H709-L713 VanDerWaalsContact O-CB 3.24Å; H709-L713 WeakPolarHBondContact O-CB 3.43Å; H709-L713 VanDerWaalsContact O-CG 3.24Å; H709-L713 WeakPolarHBondContact O-CG 3.17Å; H709-L713 PolarHBondContact O-N 3.44Å; L713-S715 PolarHBondContact O-N 3.27Å; L713-S715 VanDerWaalsContact O-N 3.15Å; L713-S716 PolarHBondContact O-N 2.86Å; L713-S716 VanDerWaalsContact O-N 3.07Å; L713-V717 HydrophobicContact CB-CG2 4.34Å; L713-V717 WeakPolarHBondContact O-CB 3.1Å; L713-V717 VanDerWaalsContact O-CG2 3.27Å; L713-V717 WeakPolarHBondContact O-CG2 3.15Å; L713-V717 PolarHBondContact O-N 2.92Å
714	A	82.1	Confident	74.1	Confident	49 Å²	49	103.9 Å²	103.9	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-56.7	-34.9	-178.7	0	0	0	0	0	112	V710 I712 K718	V710-A714 WeakPolarHBondContact O-CA 3.48Å; V710-A714 WeakPolarHBondContact O-CB 2.97Å; V710-A714 PolarHBondContact O-N 3.2Å; I712-A714 VanDerWaalsContact C-N 3.32Å; I712-A714 PolarHBondContact O-N 3.13Å; A714-K718 WeakPolarHBondContact O-CB 3.48Å; A714-K718 PolarHBondContact O-N 3.08Å
715	S	83.1	Confident	76.6	Confident	81 Å²	81	106.2 Å²	106.2	57%	0.566	55%	0.545	S	S	*	.	H	α-helix	trans	-65.1	-53	174.3	66.7	0	0	0	0	111.5	I712 L713 K718 E719	I712-S715 PolarHBondContact O-OG 2.91Å; L713-S715 PolarHBondContact O-N 3.27Å; L713-S715 VanDerWaalsContact O-N 3.15Å; S715-K718 PolarHBondContact O-N 3.33Å; S715-E719 PolarHBondContact O-N 3.15Å
716	S	84.7	Confident	78.8	Confident	54 Å²	54	106 Å²	106	38%	0.378	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-40.5	179.5	-51.8	0	0	0	0	112.9	L713 K718 E719 L720	L713-S716 PolarHBondContact O-N 2.86Å; L713-S716 VanDerWaalsContact O-N 3.07Å; S716-K718 VanDerWaalsContact C-N 3.35Å; S716-E719 WeakPolarHBondContact O-CB 3.36Å; S716-E719 PolarHBondContact O-N 3.42Å; S716-L720 WeakPolarHBondContact O-CB 3.43Å; S716-L720 PolarHBondContact O-N 2.7Å
717	V	86.5	Confident	80.8	Confident	94 Å²	94	102.3 Å²	102.3	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-64.2	-41	176.3	171.5	0	0	0	0	110.5	L713 E719 L720 D721	L713-V717 HydrophobicContact CB-CG2 4.34Å; L713-V717 WeakPolarHBondContact O-CB 3.1Å; L713-V717 VanDerWaalsContact O-CG2 3.27Å; L713-V717 WeakPolarHBondContact O-CG2 3.15Å; L713-V717 PolarHBondContact O-N 2.92Å; V717-E719 VanDerWaalsContact C-N 3.32Å; V717-L720 PolarHBondContact O-N 3.35Å; V717-D721 WeakPolarHBondContact O-CB 3.35Å; V717-D721 PolarHBondContact O-N 3.3Å
718	K	89.3	Confident	82.9	Confident	143 Å²	143	99.4 Å²	99.4	62%	0.622	52%	0.523	S	S	*	.	H	α-helix	trans	-67.1	-34.6	175.3	-170.8	176.5	-175.8	-180	0	112	A714 S715 S716 N722	A714-K718 WeakPolarHBondContact O-CB 3.48Å; A714-K718 PolarHBondContact O-N 3.08Å; S715-K718 PolarHBondContact O-N 3.33Å; S716-K718 VanDerWaalsContact C-N 3.35Å; K718-N722 WeakPolarHBondContact O-CB 3.37Å; K718-N722 VanDerWaalsContact O-CG 3.24Å; K718-N722 PolarHBondContact O-N 2.73Å; K718-N722 VanDerWaalsContact O-N 3.07Å; K718-N722 PolarHBondContact O-ND2 3.36Å
719	E	91.2	Very high	84.7	Confident	128 Å²	128	101.7 Å²	101.7	60%	0.598	53%	0.528	S	S	*	.	H	α-helix	trans	-68.8	-41	174.4	-160.1	168.9	-155.5	0	0	111.5	S715 S716 V717 N722 L723	S715-E719 PolarHBondContact O-N 3.15Å; S716-E719 WeakPolarHBondContact O-CB 3.36Å; S716-E719 PolarHBondContact O-N 3.42Å; V717-E719 VanDerWaalsContact C-N 3.32Å; E719-N722 PolarHBondContact O-N 3.44Å; E719-L723 WeakPolarHBondContact O-CB 3.25Å; E719-L723 WeakPolarHBondContact O-CG 3.45Å; E719-L723 PolarHBondContact O-N 3.04Å
720	L	91.4	Very high	86.4	Confident	118 Å²	118	99.9 Å²	99.9	62%	0.618	52%	0.522	S	S	*	.	H	α-helix	trans	-62.3	-46.6	173.5	-119.7	126.7	0	0	0	112.2	S716 V717 N722 L723 E724	S716-L720 WeakPolarHBondContact O-CB 3.43Å; S716-L720 PolarHBondContact O-N 2.7Å; V717-L720 PolarHBondContact O-N 3.35Å; L720-N722 VanDerWaalsContact C-N 3.31Å; L720-N722 PolarHBondContact O-N 3.49Å; L720-L723 PolarHBondContact O-N 3.16Å; L720-L723 VanDerWaalsContact O-N 3.17Å; L720-E724 WeakPolarHBondContact O-CB 3.44Å; L720-E724 PolarHBondContact O-N 2.96Å
721	D	93	Very high	87.4	Confident	89 Å²	89	101.4 Å²	101.4	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-58.3	-43.8	175	176.3	62.1	0	0	0	111.2	V717 L723 E724 K725	V717-D721 WeakPolarHBondContact O-CB 3.35Å; V717-D721 PolarHBondContact O-N 3.3Å; D721-L723 PolarHBondContact O-N 2.98Å; D721-E724 PolarHBondContact O-N 3.48Å; D721-K725 VanDerWaalsContact O-CB 3.23Å; D721-K725 WeakPolarHBondContact O-CB 3.46Å; D721-K725 PolarHBondContact O-N 3.35Å
722	N	93.9	Very high	88.3	Confident	89 Å²	89	100.2 Å²	100.2	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.5	-75.6	-38.5	0	0	0	112.3	K718 E719 L720 R726	K718-N722 WeakPolarHBondContact O-CB 3.37Å; K718-N722 VanDerWaalsContact O-CG 3.24Å; K718-N722 PolarHBondContact O-N 2.73Å; K718-N722 VanDerWaalsContact O-N 3.07Å; K718-N722 PolarHBondContact O-ND2 3.36Å; E719-N722 PolarHBondContact O-N 3.44Å; L720-N722 VanDerWaalsContact C-N 3.31Å; L720-N722 PolarHBondContact O-N 3.49Å; N722-R726 WeakPolarHBondContact O-CB 3.44Å; N722-R726 PolarHBondContact O-N 3.1Å
723	L	94.4	Very high	88.8	Confident	108 Å²	108	102.3 Å²	102.3	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-66	-44.4	178.1	-78.5	168.7	0	0	0	111.8	E719 L720 D721 R726 S727	E719-L723 WeakPolarHBondContact O-CB 3.25Å; E719-L723 WeakPolarHBondContact O-CG 3.45Å; E719-L723 PolarHBondContact O-N 3.04Å; L720-L723 PolarHBondContact O-N 3.16Å; L720-L723 VanDerWaalsContact O-N 3.17Å; D721-L723 PolarHBondContact O-N 2.98Å; L723-R726 PolarHBondContact O-N 2.79Å; L723-S727 WeakPolarHBondContact O-CB 3.49Å; L723-S727 PolarHBondContact O-N 2.83Å
724	E	93.2	Very high	89.1	Confident	110 Å²	110	105.4 Å²	105.4	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-48	176.3	-177	177	-179.3	0	0	110.5	L720 D721 R726 S727 Q728	L720-E724 WeakPolarHBondContact O-CB 3.44Å; L720-E724 PolarHBondContact O-N 2.96Å; D721-E724 PolarHBondContact O-N 3.48Å; E724-R726 VanDerWaalsContact C-N 3.31Å; E724-R726 PolarHBondContact O-N 2.84Å; E724-S727 WeakPolarHBondContact O-CB 2.98Å; E724-S727 PolarHBondContact O-N 2.82Å; E724-Q728 WeakPolarHBondContact O-CG 3.45Å; E724-Q728 PolarHBondContact O-N 3.06Å; E724-Q728 PolarHBondContact OE1-NE2 2.83Å; E724-Q728 VanDerWaalsContact OE1-NE2 3.15Å
725	K	93.1	Very high	89	Confident	113 Å²	113	110.5 Å²	110.5	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-39.5	177.7	-164.4	173.3	-170.6	171.4	0	112.3	D721 Q729	D721-K725 VanDerWaalsContact O-CB 3.23Å; D721-K725 WeakPolarHBondContact O-CB 3.46Å; D721-K725 PolarHBondContact O-N 3.35Å; K725-Q729 WeakPolarHBondContact O-CB 3.06Å; K725-Q729 VanDerWaalsContact O-CG 3.23Å; K725-Q729 WeakPolarHBondContact O-CG 3.45Å; K725-Q729 PolarHBondContact O-N 2.92Å
726	R	92.2	Very high	88.9	Confident	170 Å²	170	111.3 Å²	111.3	64%	0.642	53%	0.532	S	S	*	.	H	α-helix	trans	-63.6	-48.6	174.2	-126.3	177.7	-174.1	165.2	0.7	111.4	N722 L723 E724 Q728 Q729 D730	N722-R726 WeakPolarHBondContact O-CB 3.44Å; N722-R726 PolarHBondContact O-N 3.1Å; L723-R726 PolarHBondContact O-N 2.79Å; E724-R726 VanDerWaalsContact C-N 3.31Å; E724-R726 PolarHBondContact O-N 2.84Å; R726-Q728 VanDerWaalsContact C-N 3.32Å; R726-Q728 PolarHBondContact O-N 2.93Å; R726-Q729 PolarHBondContact O-N 3.17Å; R726-Q729 VanDerWaalsContact O-N 3.14Å; R726-D730 WeakPolarHBondContact O-CB 3.38Å; R726-D730 VanDerWaalsContact O-CG 3.25Å; R726-D730 PolarHBondContact O-N 2.74Å
727	S	89.6	Confident	87.8	Confident	80 Å²	80	112.7 Å²	112.7	56%	0.559	54%	0.536	S	S	*	.	H	α-helix	trans	-57.4	-45.5	178.2	-178.3	0	0	0	0	111.7	L723 E724 D730 F731	L723-S727 WeakPolarHBondContact O-CB 3.49Å; L723-S727 PolarHBondContact O-N 2.83Å; E724-S727 WeakPolarHBondContact O-CB 2.98Å; E724-S727 PolarHBondContact O-N 2.82Å; S727-D730 PolarHBondContact O-N 2.72Å; S727-F731 WeakPolarHBondContact O-CB 3.49Å; S727-F731 PolarHBondContact O-N 3.41Å
728	Q	93.1	Very high	86.5	Confident	102 Å²	102	117.2 Å²	117.2	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-64	-42.8	175.5	-69.2	175.9	8.2	0	0	112.1	E724 R726 F731 L732	E724-Q728 WeakPolarHBondContact O-CG 3.45Å; E724-Q728 PolarHBondContact O-N 3.06Å; E724-Q728 PolarHBondContact OE1-NE2 2.83Å; E724-Q728 VanDerWaalsContact OE1-NE2 3.15Å; R726-Q728 VanDerWaalsContact C-N 3.32Å; R726-Q728 PolarHBondContact O-N 2.93Å; Q728-F731 PolarHBondContact O-N 3.36Å; Q728-L732 VanDerWaalsContact O-CG 3.26Å; Q728-L732 WeakPolarHBondContact O-CG 3.47Å; Q728-L732 PolarHBondContact O-N 3.49Å
729	Q	90.1	Very high	84.9	Confident	100 Å²	100	117.4 Å²	117.4	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-42.4	177	-77.1	177.5	-14.6	0	0	112.7	K725 R726 L732 R733	K725-Q729 WeakPolarHBondContact O-CB 3.06Å; K725-Q729 VanDerWaalsContact O-CG 3.23Å; K725-Q729 WeakPolarHBondContact O-CG 3.45Å; K725-Q729 PolarHBondContact O-N 2.92Å; R726-Q729 PolarHBondContact O-N 3.17Å; R726-Q729 VanDerWaalsContact O-N 3.14Å; Q729-L732 PolarHBondContact O-N 2.93Å; Q729-R733 PolarHBondContact O-N 3.01Å
730	D	89.1	Confident	82.9	Confident	75 Å²	75	117.6 Å²	117.6	40%	0.401	56%	0.558	S	S	.	*	H	α-helix	trans	-65.6	-41.1	178.1	-69.9	-20.3	0	0	0	110.4	R726 S727 R733 L734	R726-D730 WeakPolarHBondContact O-CB 3.38Å; R726-D730 VanDerWaalsContact O-CG 3.25Å; R726-D730 PolarHBondContact O-N 2.74Å; S727-D730 PolarHBondContact O-N 2.72Å; D730-R733 PolarHBondContact O-N 2.89Å; D730-L734 VanDerWaalsContact O-CB 3.3Å; D730-L734 WeakPolarHBondContact O-CB 3.27Å; D730-L734 WeakPolarHBondContact O-CD1 3.38Å; D730-L734 VanDerWaalsContact O-CG 3.29Å; D730-L734 WeakPolarHBondContact O-CG 3.39Å; D730-L734 PolarHBondContact O-N 3.09Å
731	F	85.9	Confident	80.8	Confident	113 Å²	113	116.2 Å²	116.2	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-59.7	-45.3	171.8	175.9	-95.4	0	0	0	112.2	S727 Q728 L734 R735	S727-F731 WeakPolarHBondContact O-CB 3.49Å; S727-F731 PolarHBondContact O-N 3.41Å; Q728-F731 PolarHBondContact O-N 3.36Å; F731-L734 PolarHBondContact O-N 2.93Å; F731-R735 WeakPolarHBondContact O-CB 3.34Å; F731-R735 PolarHBondContact O-N 3.25Å
732	L	88	Confident	78.2	Confident	91 Å²	91	122.4 Å²	122.4	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-64.7	-43.2	178.2	-70.9	174.3	0	0	0	111.6	Q728 Q729 R735 Y736	Q728-L732 VanDerWaalsContact O-CG 3.26Å; Q728-L732 WeakPolarHBondContact O-CG 3.47Å; Q728-L732 PolarHBondContact O-N 3.49Å; Q729-L732 PolarHBondContact O-N 2.93Å; L732-R735 PolarHBondContact O-N 2.93Å; L732-Y736 HydrophobicContact CB-CD2 4.41Å; L732-Y736 HydrophobicContact CD2-CD2 3.9Å; L732-Y736 HydrophobicContact CD2-CE2 3.59Å; L732-Y736 WeakPolarHBondContact O-CB 3.45Å; L732-Y736 VanDerWaalsContact O-CD2 3.28Å; L732-Y736 WeakPolarHBondContact O-CD2 3.22Å; L732-Y736 PolarHBondContact O-N 2.92Å
733	R	83.1	Confident	77.4	Confident	154 Å²	154	124.1 Å²	124.1	58%	0.581	60%	0.6	S	S	*	*	H	α-helix	trans	-60.9	-51.2	174.5	-80.6	-171.2	172.1	156.3	-3.3	111.7	Q729 D730 R735 Y736 D737	Q729-R733 PolarHBondContact O-N 3.01Å; D730-R733 PolarHBondContact O-N 2.89Å; R733-R735 PolarHBondContact O-N 3.12Å; R733-Y736 PolarHBondContact O-N 3.04Å; R733-D737 WeakPolarHBondContact CB-OD2 3.45Å; R733-D737 VanDerWaalsContact CG-OD2 3.24Å; R733-D737 WeakPolarHBondContact CG-OD2 3.34Å; R733-D737 WeakPolarHBondContact O-CB 3.37Å; R733-D737 PolarHBondContact O-N 2.76Å
734	L	83.3	Confident	76.5	Confident	153 Å²	153	124.9 Å²	124.9	80%	0.801	60%	0.602	S	S	*	*	H	α-helix	trans	-58.9	-31.6	178.7	-77.4	164.8	0	0	0	112.6	D730 F731	D730-L734 VanDerWaalsContact O-CB 3.3Å; D730-L734 WeakPolarHBondContact O-CB 3.27Å; D730-L734 WeakPolarHBondContact O-CD1 3.38Å; D730-L734 VanDerWaalsContact O-CG 3.29Å; D730-L734 WeakPolarHBondContact O-CG 3.39Å; D730-L734 PolarHBondContact O-N 3.09Å; F731-L734 PolarHBondContact O-N 2.93Å
735	R	81.2	Confident	75.6	Confident	156 Å²	156	125.7 Å²	125.7	59%	0.589	61%	0.607	S	S	*	*	H	α-helix	trans	-87.9	-29.6	-178.1	-170.2	161.9	-178	144.3	-0.5	114.1	F731 L732 R733	F731-R735 WeakPolarHBondContact O-CB 3.34Å; F731-R735 PolarHBondContact O-N 3.25Å; L732-R735 PolarHBondContact O-N 2.93Å; R733-R735 PolarHBondContact O-N 3.12Å
736	Y	81.5	Confident	74.6	Confident	98 Å²	98	126.5 Å²	126.5	38%	0.384	61%	0.614	S	S	.	*	H	α-helix	trans	-127.6	-11.2	-168.6	-58.3	-70.8	0	0	0	115.4	L732 R733 E738 E739 L740	L732-Y736 HydrophobicContact CB-CD2 4.41Å; L732-Y736 HydrophobicContact CD2-CD2 3.9Å; L732-Y736 HydrophobicContact CD2-CE2 3.59Å; L732-Y736 WeakPolarHBondContact O-CB 3.45Å; L732-Y736 VanDerWaalsContact O-CD2 3.28Å; L732-Y736 WeakPolarHBondContact O-CD2 3.22Å; L732-Y736 PolarHBondContact O-N 2.92Å; R733-Y736 PolarHBondContact O-N 3.04Å; Y736-E738 PolarHBondContact O-N 3.35Å; Y736-E739 WeakPolarHBondContact O-CA 3.43Å; Y736-E739 PolarHBondContact O-N 3.23Å; Y736-L740 PolarHBondContact O-N 2.95Å; Y736-L740 VanDerWaalsContact O-N 3.09Å
737	D	61.9	Low	73.5	Confident	83 Å²	83	123.8 Å²	123.8	44%	0.444	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	178.2	-84.3	-11.4	0	0	0	112.4	R733 E739	R733-D737 WeakPolarHBondContact CB-OD2 3.45Å; R733-D737 VanDerWaalsContact CG-OD2 3.24Å; R733-D737 WeakPolarHBondContact CG-OD2 3.34Å; R733-D737 WeakPolarHBondContact O-CB 3.37Å; R733-D737 PolarHBondContact O-N 2.76Å; D737-E739 VanDerWaalsContact C-N 3.32Å
738	E	57.6	Low	72.4	Confident	188 Å²	188	126.7 Å²	126.7	88%	0.879	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-21.9	167.5	-72.4	-167.4	165.9	0	0	113	Y736	Y736-E738 PolarHBondContact O-N 3.35Å
739	E	55.5	Low	70.9	Confident	147 Å²	147	128.4 Å²	128.4	69%	0.687	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-16.5	178.2	-74.4	-171.5	157.1	0	0	113.8	Y736 D737	Y736-E739 WeakPolarHBondContact O-CA 3.43Å; Y736-E739 PolarHBondContact O-N 3.23Å; D737-E739 VanDerWaalsContact C-N 3.32Å
740	L	50.4	Low	69.5	Low	133 Å²	133	130.6 Å²	130.6	70%	0.696	64%	0.637	S	S	*	*	S	Bend	trans	-96	4	-179.7	-80.2	160.4	0	0	0	114.5	Y736	Y736-L740 PolarHBondContact O-N 2.95Å; Y736-L740 VanDerWaalsContact O-N 3.09Å
741	A	46.2	Very low	67.8	Low	89 Å²	89	135.3 Å²	135.3	74%	0.736	66%	0.657	S	S	*	*			trans	-97.1	23.9	176.5	0	0	0	0	0	114.3
742	I	39.4	Very low	66.2	Low	218 Å²	218	137.3 Å²	137.3	100%	1.118	67%	0.672	S	S	*	*			trans	-103.5	0	165.1	-52.9	177.2	0	0	0	108

Retrieved 742 of 742 residues in 949.5 ms (Link to these results)

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