DTX3_PONAB Loading...

E3 ubiquitin-protein ligase DTX3

Functions as an ubiquitin ligase protein, and regulates Notch signaling. By promoting the ubiquitination and subsequent degradation of target proteins, it can block activation of the Notch signaling pathway, potentially acting as a tumor suppressor in human cancers.

AlphaFold DB , UniProt , Accession Q5REG4, Species PONAB (Pongo abelii, Sumatran orangutan), Gene DTX3, Length 347 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	37.3	Very low	128 Å²	128	73.4 Å²	73.4	63%	0.631	43%	0.434	S	S	*	.				0	-13.3	0	-54.2	-64.9	-151.1	0	0	112.8	F3 E90 K94 Q322	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 VanDerWaalsContact O-N 3.08Å; M1-E90 VanDerWaalsContact CA-OE1 3.25Å; M1-E90 WeakPolarHBondContact CA-OE1 3.35Å; M1-E90 HydrophobicContact CB-CG 3.96Å; M1-E90 WeakPolarHBondContact CB-OE1 3.39Å; M1-K94 VanDerWaalsContact CB-CE 3.44Å; M1-Q322 VanDerWaalsContact N-CD 3.35Å
2	S	39.6	Very low	36.7	Very low	56 Å²	56	73 Å²	73	39%	0.392	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	15.1	-157.7	40.7	0	0	0	0	117.9	E90	S2-E90 VanDerWaalsContact CA-CD 3.46Å; S2-E90 WeakPolarHBondContact CA-OE1 3.5Å; S2-E90 WeakPolarHBondContact CA-OE2 3.48Å; S2-E90 WeakPolarHBondContact CB-OE1 3.34Å; S2-E90 PolarHBondContact N-OE1 3.33Å
3	F	38.9	Very low	36.4	Very low	78 Å²	78	73.2 Å²	73.2	34%	0.342	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-9.8	-162.6	-108.5	-73	0	0	0	117	M1 L5 S6 L323	M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 VanDerWaalsContact O-N 3.08Å; F3-L5 PolarHBondContact O-N 3.41Å; F3-S6 PolarHBondContact O-N 3.07Å; F3-L323 HydrophobicContact CB-CD1 3.83Å; F3-L323 HydrophobicContact CB-CD2 3.75Å; F3-L323 HydrophobicContact CB-CG 3.63Å; F3-L323 HydrophobicContact CD1-CD1 3.01Å; F3-L323 HydrophobicContact CD1-CD2 4.11Å; F3-L323 HydrophobicContact CD1-CG 3.83Å; F3-L323 HydrophobicContact CD2-CD1 4.49Å; F3-L323 HydrophobicContact CE1-CD1 3.49Å; F3-L323 VanDerWaalsContact CE1-CD1 3.49Å; F3-L323 HydrophobicContact CG-CD1 3.55Å; F3-L323 HydrophobicContact CG-CD2 4.35Å; F3-L323 HydrophobicContact CG-CG 3.95Å; F3-L323 HydrophobicContact CZ-CD1 4.42Å; F3-L323 WeakPolarHBondContact O-CD2 3.44Å
4	V	39.4	Very low	36.7	Very low	57 Å²	57	76.6 Å²	76.6	35%	0.345	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-16	178.3	-178.6	0	0	0	0	113.2	T20	V4-T20 PolarHBondContact O-OG1 3.09Å
5	L	37.8	Very low	37.7	Very low	5 Å²	5	73.8 Å²	73.8	3%	0.026	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.8	-178.2	-70	154.9	0	0	0	115	F3 V19 T20 V21 K83 L86 K87	F3-L5 PolarHBondContact O-N 3.41Å; L5-V19 HydrophobicContact CD2-CG1 3.83Å; L5-T20 WeakPolarHBondContact CD2-O 3.28Å; L5-V21 HydrophobicContact CD2-CB 4.11Å; L5-V21 HydrophobicContact CD2-CG2 4.4Å; L5-K83 WeakPolarHBondContact O-CD 3.41Å; L5-K83 WeakPolarHBondContact O-CE 3.27Å; L5-K83 PolarHBondContact O-NZ 3.44Å; L5-L86 HydrophobicContact CD1-CB 3.39Å; L5-L86 HydrophobicContact CD2-CB 3.59Å; L5-L86 HydrophobicContact CD2-CD1 3.29Å; L5-L86 HydrophobicContact CD2-CG 4Å; L5-L86 HydrophobicContact CG-CB 4.13Å; L5-K87 HydrophobicContact CD1-CG 4.19Å
6	S	38.2	Very low	39.3	Very low	49 Å²	49	79.1 Å²	79.1	34%	0.343	50%	0.496	S	S	.	.	S	Bend	trans	-94.4	-27.9	-164.9	-133.1	0	0	0	0	115.5	F3 K83	F3-S6 PolarHBondContact O-N 3.07Å; S6-K83 PolarHBondContact O-NZ 2.63Å
7	R	38.7	Very low	41.7	Very low	120 Å²	120	77.7 Å²	77.7	45%	0.453	48%	0.484	S	S	.	.	S	Bend	trans	-105	-1.1	-160.7	-87.4	-179	148.7	-137.7	-10.2	118.9	A9 T315 S316	R7-A9 PolarHBondContact O-N 2.9Å; R7-T315 PolarHBondContact NH1-O 3.23Å; R7-T315 PolarHBondContact NH2-O 2.95Å; R7-S316 PolarHBondContact NH1-OG 3.38Å; R7-S316 PolarHBondContact NH2-OG 2.93Å
8	M	37.9	Very low	44	Very low	65 Å²	65	76.9 Å²	76.9	32%	0.32	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	41.5	168.8	-64.3	-144	-177.9	0	0	113.4	T20 R79 T299	M8-T20 HydrophobicContact CE-CG2 3.43Å; M8-T20 VanDerWaalsContact CE-CG2 3.43Å; M8-T20 HydrophobicContact CG-CG2 4.13Å; M8-T20 HydrophobicContact SD-CG2 3.24Å; M8-T20 WeakPolarHBondContact SD-CG2 3.37Å; M8-R79 PolarHBondContact O-NH1 2.72Å; M8-R79 PolarHBondContact O-NH2 3.25Å; M8-R79 VanDerWaalsContact O-NH2 3.15Å; M8-T299 HydrophobicContact CE-CG2 4.45Å
9	A	36.2	Very low	46.2	Very low	64 Å²	64	73 Å²	73	53%	0.529	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-5	-177.2	0	0	0	0	0	114.3	R7	R7-A9 PolarHBondContact O-N 2.9Å
10	A	34.2	Very low	48.2	Very low	96 Å²	96	69.6 Å²	69.6	79%	0.793	43%	0.427	S	S	*	.			trans	-115.2	14.9	-164.7	0	0	0	0	0	114.9
11	C	32.6	Very low	50.2	Low	89 Å²	89	66.3 Å²	66.3	60%	0.601	41%	0.407	S	S	*	.	S	Bend	trans	-97.7	124.7	169.7	-71.8	0	0	0	0	110.2	C15	C11-C15 HydrophobicContact CB-CB 4.07Å; C11-C15 WeakPolarHBondContact CB-SG 3.38Å; C11-C15 WeakPolarHBondContact O-CB 3.26Å
12	G	30.5	Very low	52.7	Low	69 Å²	69	61.9 Å²	61.9	71%	0.711	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	155.8	-175.1	0	0	0	0	0	114.7	T14	G12-T14 PolarHBondContact O-N 3.49Å
13	G	32.7	Very low	55.2	Low	76 Å²	76	61.1 Å²	61.1	78%	0.784	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-61.6	165.4	0	0	0	0	0	116.2
14	T	41.1	Very low	57.7	Low	120 Å²	120	60.8 Å²	60.8	74%	0.736	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-5.5	-162.6	54.6	0	0	0	0	114.8	G12	G12-T14 PolarHBondContact O-N 3.49Å
15	C	50.7	Low	60.3	Low	35 Å²	35	58.3 Å²	58.3	24%	0.236	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-93.8	3.4	-170.9	-46.2	0	0	0	0	115	C11 N17 K18 R79	C11-C15 HydrophobicContact CB-CB 4.07Å; C11-C15 WeakPolarHBondContact CB-SG 3.38Å; C11-C15 WeakPolarHBondContact O-CB 3.26Å; C15-N17 PolarHBondContact O-N 3.13Å; C15-K18 PolarHBondContact O-N 3.12Å; C15-R79 PolarHBondContact O-NH1 2.81Å
16	K	63.9	Low	62.9	Low	158 Å²	158	58.9 Å²	58.9	69%	0.687	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-66.1	-22.6	-176.1	-67.8	-176.5	179.1	177.8	0	112.9	R79	K16-R79 WeakPolarHBondContact O-CD 3.27Å; K16-R79 PolarHBondContact O-NH1 3.26Å; K16-R79 VanDerWaalsContact O-NH1 3.13Å
17	N	79.4	Confident	65.5	Low	56 Å²	56	59 Å²	59	30%	0.299	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-100.7	4.9	-173.2	-58.9	-6.2	0	0	0	113.9	C15 L62 L75	C15-N17 PolarHBondContact O-N 3.13Å; N17-L62 WeakPolarHBondContact CB-O 3.32Å; N17-L62 WeakPolarHBondContact O-CD1 3.2Å; N17-L62 PolarHBondContact O-N 2.94Å; N17-L75 WeakPolarHBondContact ND2-CD1 3.36Å; N17-L75 WeakPolarHBondContact OD1-CD1 3.28Å
18	K	83.7	Confident	68	Low	64 Å²	64	55.1 Å²	55.1	28%	0.278	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.5	-177.5	-61	-172.7	-179.7	-169.9	0	113.2	C15 D51 V59 L60 Q61 R79	C15-K18 PolarHBondContact O-N 3.12Å; K18-D51 WeakPolarHBondContact CE-OD2 3.42Å; K18-D51 IonicContact NZ-OD1 3.52Å; K18-D51 IonicContact NZ-OD2 2.59Å; K18-D51 PolarHBondContact NZ-OD2 3.5Å; K18-V59 HydrophobicContact CB-CG1 4.3Å; K18-V59 HydrophobicContact CD-CG1 4.14Å; K18-L60 CarbonylContact C-O 3.21Å; K18-L60 WeakPolarHBondContact CA-O 3.16Å; K18-Q61 HydrophobicContact CG-CB 4.4Å; K18-Q61 HydrophobicContact CG-CG 4.5Å; K18-R79 PolarHBondContact O-NH1 3.47Å
19	V	86	Confident	70.6	Confident	2 Å²	2	52 Å²	52	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	177.8	178.5	0	0	0	0	109.6	L5 L60 L62 R79 L82 K83 L86	L5-V19 HydrophobicContact CD2-CG1 3.83Å; V19-L60 PolarHBondContact N-O 2.89Å; V19-L60 WeakPolarHBondContact O-CA 3.41Å; V19-L60 WeakPolarHBondContact O-CB 3.24Å; V19-L60 PolarHBondContact O-N 3.17Å; V19-L62 HydrophobicContact CG2-CD1 3.88Å; V19-R79 HydrophobicContact CG2-CG 3.8Å; V19-L82 HydrophobicContact CB-CD2 4.29Å; V19-L82 HydrophobicContact CG2-CD2 4.21Å; V19-K83 HydrophobicContact CG1-CG 4.25Å; V19-L86 HydrophobicContact CG1-CD1 3.95Å
20	T	86.1	Confident	73.2	Confident	4 Å²	4	51 Å²	51	3%	0.025	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139	176	46.4	0	0	0	0	113.1	V4 L5 M8 I57 Y58 V59	V4-T20 PolarHBondContact O-OG1 3.09Å; L5-T20 WeakPolarHBondContact CD2-O 3.28Å; M8-T20 HydrophobicContact CE-CG2 3.43Å; M8-T20 VanDerWaalsContact CE-CG2 3.43Å; M8-T20 HydrophobicContact CG-CG2 4.13Å; M8-T20 HydrophobicContact SD-CG2 3.24Å; M8-T20 WeakPolarHBondContact SD-CG2 3.37Å; T20-I57 HydrophobicContact CG2-CD1 4.5Å; T20-Y58 WeakPolarHBondContact CA-O 3.19Å; T20-V59 HydrophobicContact CG2-CB 4.36Å; T20-V59 HydrophobicContact CG2-CG1 4.33Å; T20-V59 HydrophobicContact CG2-CG2 3.93Å
21	V	90.5	Very high	75.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.7	-177.3	60.6	0	0	0	0	109.3	L5 V25 W26 I57 Y58 L60 L86	L5-V21 HydrophobicContact CD2-CB 4.11Å; L5-V21 HydrophobicContact CD2-CG2 4.4Å; V21-V25 HydrophobicContact CG2-CB 3.85Å; V21-V25 HydrophobicContact CG2-CG1 3.8Å; V21-W26 HydrophobicContact CG1-CB 3.77Å; V21-W26 HydrophobicContact CG1-CD2 4.42Å; V21-W26 HydrophobicContact CG1-CE3 4.32Å; V21-W26 HydrophobicContact CG1-CG 4.22Å; V21-W26 HydrophobicContact CG2-CB 4.17Å; V21-I57 CarbonylContact O-C 3.3Å; V21-I57 VanDerWaalsContact O-CA 3.25Å; V21-I57 WeakPolarHBondContact O-CA 3.41Å; V21-I57 WeakPolarHBondContact O-CB 3.28Å; V21-Y58 PolarHBondContact N-O 2.9Å; V21-Y58 PolarHBondContact O-N 3.31Å; V21-L60 HydrophobicContact CG1-CD1 3.83Å; V21-L60 HydrophobicContact CG1-CD2 4.32Å; V21-L60 HydrophobicContact CG1-CG 3.96Å; V21-L86 HydrophobicContact CB-CD1 4.38Å; V21-L86 HydrophobicContact CB-CD2 4.38Å; V21-L86 HydrophobicContact CG2-CD1 4.48Å; V21-L86 HydrophobicContact CG2-CD2 3.74Å
22	S	89.6	Confident	78.3	Confident	34 Å²	34	55.9 Å²	55.9	24%	0.238	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.1	169.6	59.9	0	0	0	0	111.1	P24 V25 W26 D56	S22-P24 VanDerWaalsContact C-CD 3.46Å; S22-V25 PolarHBondContact O-N 3.38Å; S22-V25 VanDerWaalsContact O-N 3.07Å; S22-V25 WeakPolarHBondContact OG-CB 3.23Å; S22-V25 WeakPolarHBondContact OG-CG2 3.35Å; S22-W26 PolarHBondContact O-N 3.33Å; S22-W26 VanDerWaalsContact O-N 3.17Å; S22-D56 CarbonylContact C-O 3.59Å; S22-D56 VanDerWaalsContact CA-O 3.31Å; S22-D56 WeakPolarHBondContact CA-O 3.33Å
23	K	91	Very high	80.8	Confident	40 Å²	40	54.3 Å²	54.3	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-50.7	-46.4	180	-60.3	-171.4	-177.8	178.9	0	113.9	V25 W26 D27 E53 T54 S55 D56 Y58	K23-V25 VanDerWaalsContact C-N 3.26Å; K23-V25 PolarHBondContact O-N 3.36Å; K23-V25 VanDerWaalsContact O-N 3.17Å; K23-W26 PolarHBondContact O-N 2.87Å; K23-W26 VanDerWaalsContact O-N 3.1Å; K23-D27 WeakPolarHBondContact O-CB 3.47Å; K23-D27 PolarHBondContact O-N 3.48Å; K23-E53 VanDerWaalsContact CE-CG 3.49Å; K23-E53 WeakPolarHBondContact CE-OE1 3.37Å; K23-E53 IonicContact NZ-OE1 2.67Å; K23-E53 PolarHBondContact NZ-OE1 3.45Å; K23-T54 WeakPolarHBondContact CE-O 3.42Å; K23-T54 PolarHBondContact NZ-O 2.88Å; K23-S55 PolarHBondContact NZ-O 3.01Å; K23-D56 PolarHBondContact N-O 3.32Å; K23-Y58 HydrophobicContact CB-CD2 4.18Å; K23-Y58 HydrophobicContact CB-CE2 3.81Å; K23-Y58 HydrophobicContact CD-CE2 4.1Å; K23-Y58 HydrophobicContact CG-CD2 3.8Å; K23-Y58 HydrophobicContact CG-CE1 4.46Å; K23-Y58 HydrophobicContact CG-CE2 3.55Å; K23-Y58 HydrophobicContact CG-CG 4.33Å
24	P	92.3	Very high	83.5	Confident	72 Å²	72	54.1 Å²	54.1	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-34.6	-178.9	-25	35.7	0	0	0	113.9	S22 F28 L93	S22-P24 VanDerWaalsContact C-CD 3.46Å; P24-F28 WeakPolarHBondContact O-CB 3.41Å; P24-F28 PolarHBondContact O-N 3.1Å; P24-L93 HydrophobicContact CB-CD2 3.95Å
25	V	92.7	Very high	85.9	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-74	-40.5	178.9	174.2	0	0	0	0	111	V21 S22 K23 L29 L86 A89 E90 L93	V21-V25 HydrophobicContact CG2-CB 3.85Å; V21-V25 HydrophobicContact CG2-CG1 3.8Å; S22-V25 PolarHBondContact O-N 3.38Å; S22-V25 VanDerWaalsContact O-N 3.07Å; S22-V25 WeakPolarHBondContact OG-CB 3.23Å; S22-V25 WeakPolarHBondContact OG-CG2 3.35Å; K23-V25 VanDerWaalsContact C-N 3.26Å; K23-V25 PolarHBondContact O-N 3.36Å; K23-V25 VanDerWaalsContact O-N 3.17Å; V25-L29 WeakPolarHBondContact O-CB 3.43Å; V25-L29 PolarHBondContact O-N 3.22Å; V25-L86 HydrophobicContact CG1-CD2 4.34Å; V25-A89 HydrophobicContact CG1-CB 4.19Å; V25-E90 HydrophobicContact CG1-CB 4.13Å; V25-E90 HydrophobicContact CG2-CB 3.91Å; V25-E90 HydrophobicContact CG2-CG 3.68Å; V25-L93 HydrophobicContact CG2-CD2 3.98Å
26	W	93.6	Very high	87.8	Confident	18 Å²	18	55.6 Å²	55.6	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-42.1	176.2	-176.8	-109.8	0	0	0	111.7	V21 S22 K23 L29 S30 L37 I48 Y58 L60 L86	V21-W26 HydrophobicContact CG1-CB 3.77Å; V21-W26 HydrophobicContact CG1-CD2 4.42Å; V21-W26 HydrophobicContact CG1-CE3 4.32Å; V21-W26 HydrophobicContact CG1-CG 4.22Å; V21-W26 HydrophobicContact CG2-CB 4.17Å; S22-W26 PolarHBondContact O-N 3.33Å; S22-W26 VanDerWaalsContact O-N 3.17Å; K23-W26 PolarHBondContact O-N 2.87Å; K23-W26 VanDerWaalsContact O-N 3.1Å; W26-L29 HydrophobicContact CE3-CD2 4.36Å; W26-L29 HydrophobicContact CZ3-CD2 4.22Å; W26-L29 PolarHBondContact O-N 3.43Å; W26-S30 VanDerWaalsContact O-CB 3.25Å; W26-S30 WeakPolarHBondContact O-CB 3.27Å; W26-S30 PolarHBondContact O-N 3.2Å; W26-S30 PolarHBondContact O-OG 2.89Å; W26-L37 HydrophobicContact CH2-CD1 4.1Å; W26-L37 HydrophobicContact CH2-CD2 4.09Å; W26-L37 HydrophobicContact CZ3-CD1 4.26Å; W26-L37 HydrophobicContact CZ3-CD2 4.02Å; W26-I48 HydrophobicContact CH2-CG2 3.77Å; W26-I48 HydrophobicContact CZ2-CG2 4.49Å; W26-Y58 HydrophobicContact CB-CD2 3.85Å; W26-Y58 HydrophobicContact CB-CE2 4.44Å; W26-Y58 AromaticContact CD1-CD2 3.51Å; W26-Y58 AromaticContact CD1-CE2 3.77Å; W26-Y58 AromaticContact CG-CD2 3.88Å; W26-Y58 HydrophobicContact CG-CD2 3.88Å; W26-Y58 HydrophobicContact CG-CE2 4.44Å; W26-L60 HydrophobicContact CD2-CD1 4.19Å; W26-L60 HydrophobicContact CD2-CD2 3.92Å; W26-L60 HydrophobicContact CE3-CD1 3.51Å; W26-L60 HydrophobicContact CE3-CD2 4.1Å; W26-L60 HydrophobicContact CE3-CG 4.42Å; W26-L60 HydrophobicContact CH2-CD1 3.87Å; W26-L60 HydrophobicContact CH2-CD2 4.03Å; W26-L60 HydrophobicContact CZ2-CD1 4.49Å; W26-L60 HydrophobicContact CZ2-CD2 3.85Å; W26-L60 HydrophobicContact CZ3-CD1 3.33Å; W26-L60 HydrophobicContact CZ3-CD2 4.16Å; W26-L60 HydrophobicContact CZ3-CG 4.39Å; W26-L86 HydrophobicContact CE3-CD2 4Å; W26-L86 HydrophobicContact CZ3-CD2 4.37Å
27	D	92.1	Very high	89.1	Confident	52 Å²	52	48.2 Å²	48.2	28%	0.278	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-44.3	176.9	-66.4	-19.7	0	0	0	110.8	K23 S30 K31	K23-D27 WeakPolarHBondContact O-CB 3.47Å; K23-D27 PolarHBondContact O-N 3.48Å; D27-S30 WeakPolarHBondContact CA-OG 3.44Å; D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 PolarHBondContact O-OG 2.74Å; D27-K31 WeakPolarHBondContact O-CB 3.44Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.24Å; D27-K31 PolarHBondContact O-N 3.17Å
28	F	92	Very high	89.7	Confident	38 Å²	38	48 Å²	48	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-49	173.1	179.8	-94.1	0	0	0	111.6	P24 S30 E32 A89 E92 L93	P24-F28 WeakPolarHBondContact O-CB 3.41Å; P24-F28 PolarHBondContact O-N 3.1Å; F28-S30 PolarHBondContact O-N 3.36Å; F28-E32 HydrophobicContact CD2-CB 4.25Å; F28-E32 HydrophobicContact CD2-CG 3.67Å; F28-E32 HydrophobicContact CE2-CB 4.15Å; F28-E32 HydrophobicContact CE2-CG 3.8Å; F28-E32 HydrophobicContact CG-CG 4.31Å; F28-E32 HydrophobicContact CZ-CB 4.39Å; F28-E32 WeakPolarHBondContact O-CB 3.22Å; F28-E32 PolarHBondContact O-N 2.85Å; F28-A89 HydrophobicContact CD1-CB 4.09Å; F28-A89 WeakPolarHBondContact CD1-O 3.32Å; F28-A89 HydrophobicContact CE1-CB 4.47Å; F28-A89 WeakPolarHBondContact CE1-O 3.28Å; F28-E92 HydrophobicContact CE1-CB 3.72Å; F28-E92 HydrophobicContact CZ-CB 3.73Å; F28-L93 HydrophobicContact CB-CD1 4.24Å; F28-L93 HydrophobicContact CD1-CB 4.42Å; F28-L93 HydrophobicContact CD2-CB 4.41Å; F28-L93 HydrophobicContact CD2-CD1 3.85Å; F28-L93 HydrophobicContact CG-CB 4.25Å; F28-L93 HydrophobicContact CG-CD1 4.17Å
29	L	92	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-41.2	-179.2	179.9	65.5	0	0	0	112.4	V25 W26 T33 L37 L85 L86 A89	V25-L29 WeakPolarHBondContact O-CB 3.43Å; V25-L29 PolarHBondContact O-N 3.22Å; W26-L29 HydrophobicContact CE3-CD2 4.36Å; W26-L29 HydrophobicContact CZ3-CD2 4.22Å; W26-L29 PolarHBondContact O-N 3.43Å; L29-T33 CarbonylContact O-C 3.49Å; L29-T33 VanDerWaalsContact O-C 3.3Å; L29-T33 PolarHBondContact O-N 3.5Å; L29-T33 PolarHBondContact O-OG1 2.76Å; L29-L37 HydrophobicContact CD1-CG 4.29Å; L29-L37 HydrophobicContact CD2-CD1 4.04Å; L29-L37 HydrophobicContact CD2-CD2 3.71Å; L29-L37 HydrophobicContact CD2-CG 3.81Å; L29-L37 HydrophobicContact CG-CD1 3.77Å; L29-L37 HydrophobicContact CG-CD2 4.25Å; L29-L37 HydrophobicContact CG-CG 3.76Å; L29-L85 HydrophobicContact CD1-CD1 3.81Å; L29-L85 HydrophobicContact CD1-CD2 3.92Å; L29-L85 HydrophobicContact CD1-CG 3.69Å; L29-L85 HydrophobicContact CD2-CD2 3.95Å; L29-L85 HydrophobicContact CD2-CG 3.91Å; L29-L85 HydrophobicContact CG-CG 4.49Å; L29-L86 HydrophobicContact CD2-CD2 3.49Å; L29-L86 VanDerWaalsContact CD2-CD2 3.49Å; L29-L86 HydrophobicContact CD2-CG 4.23Å; L29-A89 HydrophobicContact CB-CB 4.04Å; L29-A89 HydrophobicContact CD1-CB 4.13Å
30	S	90.4	Very high	90.4	Very high	41 Å²	41	54 Å²	54	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-75.6	-32	-177.2	59	0	0	0	0	113.4	W26 D27 F28	W26-S30 VanDerWaalsContact O-CB 3.25Å; W26-S30 WeakPolarHBondContact O-CB 3.27Å; W26-S30 PolarHBondContact O-N 3.2Å; W26-S30 PolarHBondContact O-OG 2.89Å; D27-S30 WeakPolarHBondContact CA-OG 3.44Å; D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 PolarHBondContact O-OG 2.74Å; F28-S30 PolarHBondContact O-N 3.36Å
31	K	89.6	Confident	90.6	Very high	152 Å²	152	58 Å²	58	66%	0.661	30%	0.297	S	S	*	.	H	α-helix	trans	-92.7	-47.4	-179.2	-64.5	176	-179.6	174.8	0	113.3	D27	D27-K31 WeakPolarHBondContact O-CB 3.44Å; D27-K31 VanDerWaalsContact O-CG 3.29Å; D27-K31 WeakPolarHBondContact O-CG 3.24Å; D27-K31 PolarHBondContact O-N 3.17Å
32	E	84.9	Confident	90.6	Very high	136 Å²	136	65.2 Å²	65.2	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-86.8	-31.1	-171	-59.6	-67.5	166.8	0	0	112.8	F28 P34	F28-E32 HydrophobicContact CD2-CB 4.25Å; F28-E32 HydrophobicContact CD2-CG 3.67Å; F28-E32 HydrophobicContact CE2-CB 4.15Å; F28-E32 HydrophobicContact CE2-CG 3.8Å; F28-E32 HydrophobicContact CG-CG 4.31Å; F28-E32 HydrophobicContact CZ-CB 4.39Å; F28-E32 WeakPolarHBondContact O-CB 3.22Å; F28-E32 PolarHBondContact O-N 2.85Å; E32-P34 VanDerWaalsContact C-CD 3.41Å
33	T	82.3	Confident	90.6	Very high	36 Å²	36	70.3 Å²	70.3	22%	0.221	35%	0.35	C	S	.	.			trans	-132.4	51	-176.7	52.4	0	0	0	0	113.8	L29 A35 R36	L29-T33 CarbonylContact O-C 3.49Å; L29-T33 VanDerWaalsContact O-C 3.3Å; L29-T33 PolarHBondContact O-N 3.5Å; L29-T33 PolarHBondContact O-OG1 2.76Å; T33-A35 PolarHBondContact O-N 3.02Å; T33-A35 VanDerWaalsContact O-N 3.12Å; T33-R36 WeakPolarHBondContact O-CB 3.29Å; T33-R36 PolarHBondContact O-N 3.27Å
34	P	89.6	Confident	90.4	Very high	73 Å²	73	70.4 Å²	70.4	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-31.3	-177.1	24.8	-34.8	0	0	0	113	E32 R36 L37 A38	E32-P34 VanDerWaalsContact C-CD 3.41Å; P34-R36 VanDerWaalsContact C-N 3.25Å; P34-R36 PolarHBondContact O-N 3.2Å; P34-L37 PolarHBondContact O-N 3.36Å; P34-A38 PolarHBondContact O-N 3.48Å
35	A	91.1	Very high	90.2	Very high	70 Å²	70	74.2 Å²	74.2	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-59	-33.7	176.3	0	0	0	0	0	113	T33 A38 R39	T33-A35 PolarHBondContact O-N 3.02Å; T33-A35 VanDerWaalsContact O-N 3.12Å; A35-A38 PolarHBondContact O-N 2.77Å; A35-R39 WeakPolarHBondContact O-CG 3.3Å; A35-R39 PolarHBondContact O-N 2.95Å
36	R	91.3	Very high	90.1	Very high	115 Å²	115	74.1 Å²	74.1	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-69.6	-40	177.6	-69.6	-178.5	159.2	-176.4	-7.2	111.7	T33 P34 L40 L85	T33-R36 WeakPolarHBondContact O-CB 3.29Å; T33-R36 PolarHBondContact O-N 3.27Å; P34-R36 VanDerWaalsContact C-N 3.25Å; P34-R36 PolarHBondContact O-N 3.2Å; R36-L40 PolarHBondContact O-N 3.38Å; R36-L85 HydrophobicContact CB-CD1 3.74Å; R36-L85 HydrophobicContact CB-CD2 4.21Å; R36-L85 HydrophobicContact CG-CD1 4.31Å
37	L	91.8	Very high	90	Very high	4 Å²	4	74.5 Å²	74.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-40	173.6	-83	172.2	0	0	0	111.9	W26 L29 P34 L40 R41 I48 L82 L85	W26-L37 HydrophobicContact CH2-CD1 4.1Å; W26-L37 HydrophobicContact CH2-CD2 4.09Å; W26-L37 HydrophobicContact CZ3-CD1 4.26Å; W26-L37 HydrophobicContact CZ3-CD2 4.02Å; L29-L37 HydrophobicContact CD1-CG 4.29Å; L29-L37 HydrophobicContact CD2-CD1 4.04Å; L29-L37 HydrophobicContact CD2-CD2 3.71Å; L29-L37 HydrophobicContact CD2-CG 3.81Å; L29-L37 HydrophobicContact CG-CD1 3.77Å; L29-L37 HydrophobicContact CG-CD2 4.25Å; L29-L37 HydrophobicContact CG-CG 3.76Å; P34-L37 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3.22Å; L37-R41 WeakPolarHBondContact O-CG 3.3Å; L37-R41 PolarHBondContact O-N 2.9Å; L37-I48 HydrophobicContact CD2-CD1 4.31Å; L37-L82 HydrophobicContact CD2-CD1 4.19Å; L37-L85 HydrophobicContact CD2-CD2 4.01Å; L37-L85 HydrophobicContact CG-CD2 4.29Å
38	A	91.5	Very high	90	Very high	51 Å²	51	72.3 Å²	72.3	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-49.1	176.9	0	0	0	0	0	111.5	P34 A35 L40 R41 E42	P34-A38 PolarHBondContact O-N 3.48Å; A35-A38 PolarHBondContact O-N 2.77Å; A38-L40 VanDerWaalsContact C-N 3.32Å; A38-L40 PolarHBondContact O-N 2.8Å; A38-R41 PolarHBondContact O-N 3.41Å; A38-E42 PolarHBondContact O-N 3.15Å
39	R	92.3	Very high	89.9	Confident	180 Å²	180	75.5 Å²	75.5	68%	0.679	37%	0.368	S	S	*	.	H	α-helix	trans	-56.3	-44.7	175.5	-74.9	-179.6	65.4	178.7	0.8	112.4	A35 R41 E42 E43	A35-R39 WeakPolarHBondContact O-CG 3.3Å; A35-R39 PolarHBondContact O-N 2.95Å; R39-R41 PolarHBondContact O-N 3.02Å; R39-E42 PolarHBondContact O-N 2.98Å; R39-E43 WeakPolarHBondContact O-CB 3.44Å; R39-E43 PolarHBondContact O-N 3.17Å
40	L	90.9	Very high	89.8	Confident	11 Å²	11	79.3 Å²	79.3	6%	0.058	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-41.8	178.5	-174.1	156.7	0	0	0	112.3	R36 L37 A38 E42 H44 V46 I48 A81 L82 L85	R36-L40 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 3.22Å; A38-L40 VanDerWaalsContact C-N 3.32Å; A38-L40 PolarHBondContact O-N 2.8Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-H44 PolarHBondContact O-N 3.23Å; L40-H44 VanDerWaalsContact O-N 3.12Å; L40-V46 HydrophobicContact CD2-CG2 4.25Å; L40-I48 HydrophobicContact CD2-CD1 3.76Å; L40-A81 HydrophobicContact CD1-CB 3.98Å; L40-A81 HydrophobicContact CG-CB 4.33Å; L40-L82 HydrophobicContact CD1-CB 4.13Å; L40-L82 HydrophobicContact CD1-CD1 4.35Å; L40-L85 HydrophobicContact CD1-CB 4.25Å; L40-L85 HydrophobicContact CD1-CD2 3.84Å
41	R	91.6	Very high	89.6	Confident	88 Å²	88	80.9 Å²	80.9	33%	0.332	39%	0.392	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.3	-75	173.8	175.8	145.4	-4.7	111.9	L37 A38 R39 R45 V46 I48	L37-R41 WeakPolarHBondContact O-CG 3.3Å; L37-R41 PolarHBondContact O-N 2.9Å; A38-R41 PolarHBondContact O-N 3.41Å; R39-R41 PolarHBondContact O-N 3.02Å; R41-R45 CarbonylContact O-C 3.57Å; R41-R45 WeakPolarHBondContact O-CA 3.25Å; R41-R45 PolarHBondContact O-N 3.4Å; R41-V46 WeakPolarHBondContact CB-O 3.43Å; R41-V46 WeakPolarHBondContact CG-O 3.41Å; R41-V46 PolarHBondContact O-N 3.48Å; R41-I48 HydrophobicContact CG-CD1 4.27Å; R41-I48 PolarHBondContact NH2-O 2.98Å
42	E	89.9	Confident	89.2	Confident	155 Å²	155	74.8 Å²	74.8	72%	0.724	37%	0.373	S	S	*	.	H	α-helix	trans	-70.1	-53.2	178.2	-175.5	176.3	-166.6	0	0	111.6	A38 R39 L40 H44 R45	A38-E42 PolarHBondContact O-N 3.15Å; R39-E42 PolarHBondContact O-N 2.98Å; L40-E42 VanDerWaalsContact C-N 3.35Å; E42-H44 VanDerWaalsContact C-N 3.3Å; E42-H44 PolarHBondContact O-N 2.85Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-R45 VanDerWaalsContact O-N 3.15Å
43	E	89.4	Confident	89.2	Confident	140 Å²	140	73.7 Å²	73.7	65%	0.654	37%	0.368	S	S	*	.	H	α-helix	trans	-57.7	-41.3	-177.2	-176.8	177.6	171.6	0	0	112.3	R39	R39-E43 WeakPolarHBondContact O-CB 3.44Å; R39-E43 PolarHBondContact O-N 3.17Å
44	H	88.3	Confident	89.2	Confident	42 Å²	42	74.3 Å²	74.3	19%	0.194	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-1	-179.7	-64.9	-65.4	0	0	0	114.4	L40 E42 V46 A78 A81	L40-H44 PolarHBondContact O-N 3.23Å; L40-H44 VanDerWaalsContact O-N 3.12Å; E42-H44 VanDerWaalsContact C-N 3.3Å; E42-H44 PolarHBondContact O-N 2.85Å; H44-V46 HydrophobicContact CB-CG1 4.37Å; H44-V46 HydrophobicContact CB-CG2 4.15Å; H44-V46 PolarHBondContact O-N 3.02Å; H44-A78 HydrophobicContact CB-CB 3.67Å; H44-A81 WeakPolarHBondContact NE2-CB 3.4Å
45	R	88.1	Confident	88.8	Confident	153 Å²	153	76 Å²	76	58%	0.577	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	56.6	-176.6	-53.8	-179.5	73.7	-174.4	6.3	111.9	R41 E42 Q65	R41-R45 CarbonylContact O-C 3.57Å; R41-R45 WeakPolarHBondContact O-CA 3.25Å; R41-R45 PolarHBondContact O-N 3.4Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-R45 VanDerWaalsContact O-N 3.15Å; R45-Q65 WeakPolarHBondContact CB-O 3.22Å; R45-Q65 PolarHBondContact O-N 2.71Å
46	V	89.7	Confident	88.4	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.8	-180	-66.9	0	0	0	0	112	L40 R41 H44 I48 S63 Q65 L75 A78	L40-V46 HydrophobicContact CD2-CG2 4.25Å; R41-V46 WeakPolarHBondContact CB-O 3.43Å; R41-V46 WeakPolarHBondContact CG-O 3.41Å; R41-V46 PolarHBondContact O-N 3.48Å; H44-V46 HydrophobicContact CB-CG1 4.37Å; H44-V46 HydrophobicContact CB-CG2 4.15Å; H44-V46 PolarHBondContact O-N 3.02Å; V46-I48 HydrophobicContact CG2-CG1 4.42Å; V46-S63 CarbonylContact C-O 3.5Å; V46-S63 VanDerWaalsContact CA-O 3.27Å; V46-S63 WeakPolarHBondContact CA-O 3.32Å; V46-Q65 VanDerWaalsContact C-NE2 3.34Å; V46-Q65 PolarHBondContact O-NE2 2.81Å; V46-L75 HydrophobicContact CG1-CD2 3.83Å; V46-A78 HydrophobicContact CB-CB 4.45Å; V46-A78 HydrophobicContact CG1-CB 3.65Å; V46-A78 HydrophobicContact CG2-CB 4.03Å
47	S	90.7	Very high	88.2	Confident	26 Å²	26	73 Å²	73	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.7	160.7	60.3	0	0	0	0	108.9	L62 S63	S47-L62 VanDerWaalsContact O-CA 3.3Å; S47-L62 WeakPolarHBondContact O-CA 3.37Å; S47-S63 PolarHBondContact N-O 3.28Å; S47-S63 PolarHBondContact O-N 3.32Å; S47-S63 WeakPolarHBondContact OG-CB 3.48Å; S47-S63 PolarHBondContact OG-O 3.37Å
48	I	91.8	Very high	88	Confident	6 Å²	6	74.2 Å²	74.2	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.8	176.7	-57.2	169.2	0	0	0	106.4	W26 L37 L40 R41 V46 L60 Q61 L62 L82	W26-I48 HydrophobicContact CH2-CG2 3.77Å; W26-I48 HydrophobicContact CZ2-CG2 4.49Å; L37-I48 HydrophobicContact CD2-CD1 4.31Å; L40-I48 HydrophobicContact CD2-CD1 3.76Å; R41-I48 HydrophobicContact CG-CD1 4.27Å; R41-I48 PolarHBondContact NH2-O 2.98Å; V46-I48 HydrophobicContact CG2-CG1 4.42Å; I48-L60 HydrophobicContact CG2-CB 4.1Å; I48-L60 HydrophobicContact CG2-CD1 4.29Å; I48-Q61 WeakPolarHBondContact CA-O 3.42Å; I48-L62 HydrophobicContact CG1-CG 4.33Å; I48-L82 HydrophobicContact CD1-CD1 3.99Å; I48-L82 HydrophobicContact CD1-CD2 4.08Å; I48-L82 HydrophobicContact CG2-CD2 4.31Å
49	L	90.8	Very high	87.9	Confident	105 Å²	105	72.8 Å²	72.8	55%	0.55	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.2	-177.5	-60.5	174.5	0	0	0	109.9	D51 L60 Q61	L49-D51 PolarHBondContact O-N 3.22Å; L49-L60 CarbonylContact O-C 3.44Å; L49-L60 VanDerWaalsContact O-CA 3.3Å; L49-L60 WeakPolarHBondContact O-CA 3.22Å; L49-Q61 PolarHBondContact N-O 2.87Å; L49-Q61 PolarHBondContact O-N 3.47Å
50	I	90.5	Very high	87.8	Confident	80 Å²	80	64.2 Å²	64.2	41%	0.41	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.2	169.6	-58.9	171.9	0	0	0	107.1	G52 Y58 L60	I50-G52 WeakPolarHBondContact CG2-O 3.32Å; I50-Y58 HydrophobicContact CD1-CD1 3.89Å; I50-Y58 HydrophobicContact CD1-CD2 4.49Å; I50-Y58 HydrophobicContact CD1-CE1 3.9Å; I50-Y58 HydrophobicContact CD1-CG 4.22Å; I50-Y58 HydrophobicContact CG1-CD1 4.34Å; I50-Y58 HydrophobicContact CG2-CD1 3.55Å; I50-Y58 HydrophobicContact CG2-CE1 4.18Å; I50-Y58 HydrophobicContact CG2-CG 4.29Å; I50-L60 HydrophobicContact CG1-CD2 3.96Å
51	D	86.1	Confident	87.7	Confident	74 Å²	74	66.5 Å²	66.5	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-18	-179.1	173.6	84.6	0	0	0	112.2	K18 L49 V59 Q61	K18-D51 WeakPolarHBondContact CE-OD2 3.42Å; K18-D51 IonicContact NZ-OD1 3.52Å; K18-D51 IonicContact NZ-OD2 2.59Å; K18-D51 PolarHBondContact NZ-OD2 3.5Å; L49-D51 PolarHBondContact O-N 3.22Å; D51-V59 PolarHBondContact N-O 3.22Å; D51-Q61 HydrophobicContact CB-CB 3.74Å
52	G	79.9	Confident	87.7	Confident	24 Å²	24	62.3 Å²	62.3	25%	0.247	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	160.3	174.7	0	0	0	0	0	112.4	I50 V59	I50-G52 WeakPolarHBondContact CG2-O 3.32Å; G52-V59 PolarHBondContact N-O 3.39Å; G52-V59 PolarHBondContact O-N 3.3Å
53	E	86.4	Confident	87.5	Confident	114 Å²	114	56.6 Å²	56.6	53%	0.533	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.1	-175.9	177.4	171.7	-165.7	0	0	110.1	K23 Y58	K23-E53 VanDerWaalsContact CE-CG 3.49Å; K23-E53 WeakPolarHBondContact CE-OE1 3.37Å; K23-E53 IonicContact NZ-OE1 2.67Å; K23-E53 PolarHBondContact NZ-OE1 3.45Å; E53-Y58 HydrophobicContact CB-CD1 3.9Å; E53-Y58 HydrophobicContact CB-CE1 3.98Å; E53-Y58 HydrophobicContact CG-CD1 3.85Å; E53-Y58 HydrophobicContact CG-CE1 3.56Å; E53-Y58 WeakPolarHBondContact OE1-CE1 3.2Å; E53-Y58 PolarHBondContact OE1-OH 3.31Å
54	T	80.9	Confident	87.3	Confident	48 Å²	48	53.2 Å²	53.2	29%	0.294	29%	0.288	S	S	.	.			trans	-115	-166	166.5	70.3	0	0	0	0	109.7	K23 D56 I57	K23-T54 WeakPolarHBondContact CE-O 3.42Å; K23-T54 PolarHBondContact NZ-O 2.88Å; T54-D56 PolarHBondContact O-N 3.42Å; T54-D56 PolarHBondContact OG1-N 3Å; T54-D56 PolarHBondContact OG1-OD1 3.43Å; T54-I57 HydrophobicContact CG2-CD1 4.25Å; T54-I57 HydrophobicContact CG2-CG1 3.82Å; T54-I57 PolarHBondContact N-O 3.21Å; T54-I57 WeakPolarHBondContact OG1-CG1 3.31Å; T54-I57 PolarHBondContact OG1-N 3.49Å
55	S	80.7	Confident	86.8	Confident	110 Å²	110	56.3 Å²	56.3	77%	0.769	30%	0.302	S	S	*	.	S	Bend	trans	-60.6	-31.7	170.8	41.9	0	0	0	0	113.8	K23	K23-S55 PolarHBondContact NZ-O 3.01Å
56	D	84.1	Confident	86	Confident	96 Å²	96	51.5 Å²	51.5	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-130.1	-16	-162.5	61.2	-43.6	0	0	0	114.4	S22 K23 T54	S22-D56 CarbonylContact C-O 3.59Å; S22-D56 VanDerWaalsContact CA-O 3.31Å; S22-D56 WeakPolarHBondContact CA-O 3.33Å; K23-D56 PolarHBondContact N-O 3.32Å; T54-D56 PolarHBondContact O-N 3.42Å; T54-D56 PolarHBondContact OG1-N 3Å; T54-D56 PolarHBondContact OG1-OD1 3.43Å
57	I	86.8	Confident	84.8	Confident	24 Å²	24	56.3 Å²	56.3	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.1	-179	61.7	160.3	0	0	0	113.6	T20 V21 T54	T20-I57 HydrophobicContact CG2-CD1 4.5Å; V21-I57 CarbonylContact O-C 3.3Å; V21-I57 VanDerWaalsContact O-CA 3.25Å; V21-I57 WeakPolarHBondContact O-CA 3.41Å; V21-I57 WeakPolarHBondContact O-CB 3.28Å; T54-I57 HydrophobicContact CG2-CD1 4.25Å; T54-I57 HydrophobicContact CG2-CG1 3.82Å; T54-I57 PolarHBondContact N-O 3.21Å; T54-I57 WeakPolarHBondContact OG1-CG1 3.31Å; T54-I57 PolarHBondContact OG1-N 3.49Å
58	Y	87.8	Confident	83.4	Confident	30 Å²	30	60.8 Å²	60.8	12%	0.118	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.3	163.2	-70.7	-59.9	0	0	0	110.6	T20 V21 K23 W26 I50 E53	T20-Y58 WeakPolarHBondContact CA-O 3.19Å; V21-Y58 PolarHBondContact N-O 2.9Å; V21-Y58 PolarHBondContact O-N 3.31Å; K23-Y58 HydrophobicContact CB-CD2 4.18Å; K23-Y58 HydrophobicContact CB-CE2 3.81Å; K23-Y58 HydrophobicContact CD-CE2 4.1Å; K23-Y58 HydrophobicContact CG-CD2 3.8Å; K23-Y58 HydrophobicContact CG-CE1 4.46Å; K23-Y58 HydrophobicContact CG-CE2 3.55Å; K23-Y58 HydrophobicContact CG-CG 4.33Å; W26-Y58 HydrophobicContact CB-CD2 3.85Å; W26-Y58 HydrophobicContact CB-CE2 4.44Å; W26-Y58 AromaticContact CD1-CD2 3.51Å; W26-Y58 AromaticContact CD1-CE2 3.77Å; W26-Y58 AromaticContact CG-CD2 3.88Å; W26-Y58 HydrophobicContact CG-CD2 3.88Å; W26-Y58 HydrophobicContact CG-CE2 4.44Å; I50-Y58 HydrophobicContact CD1-CD1 3.89Å; I50-Y58 HydrophobicContact CD1-CD2 4.49Å; I50-Y58 HydrophobicContact CD1-CE1 3.9Å; I50-Y58 HydrophobicContact CD1-CG 4.22Å; I50-Y58 HydrophobicContact CG1-CD1 4.34Å; I50-Y58 HydrophobicContact CG2-CD1 3.55Å; I50-Y58 HydrophobicContact CG2-CE1 4.18Å; I50-Y58 HydrophobicContact CG2-CG 4.29Å; E53-Y58 HydrophobicContact CB-CD1 3.9Å; E53-Y58 HydrophobicContact CB-CE1 3.98Å; E53-Y58 HydrophobicContact CG-CD1 3.85Å; E53-Y58 HydrophobicContact CG-CE1 3.56Å; E53-Y58 WeakPolarHBondContact OE1-CE1 3.2Å; E53-Y58 PolarHBondContact OE1-OH 3.31Å
59	V	88.6	Confident	81.7	Confident	22 Å²	22	66.5 Å²	66.5	13%	0.133	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.9	166.3	-173.2	0	0	0	0	107.5	K18 T20 D51 G52	K18-V59 HydrophobicContact CB-CG1 4.3Å; K18-V59 HydrophobicContact CD-CG1 4.14Å; T20-V59 HydrophobicContact CG2-CB 4.36Å; T20-V59 HydrophobicContact CG2-CG1 4.33Å; T20-V59 HydrophobicContact CG2-CG2 3.93Å; D51-V59 PolarHBondContact N-O 3.22Å; G52-V59 PolarHBondContact N-O 3.39Å; G52-V59 PolarHBondContact O-N 3.3Å
60	L	90.2	Very high	80.2	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.2	178.4	-51.1	176.8	0	0	0	110	K18 V19 V21 W26 I48 L49 I50 L82 L86	K18-L60 CarbonylContact C-O 3.21Å; K18-L60 WeakPolarHBondContact CA-O 3.16Å; V19-L60 PolarHBondContact N-O 2.89Å; V19-L60 WeakPolarHBondContact O-CA 3.41Å; V19-L60 WeakPolarHBondContact O-CB 3.24Å; V19-L60 PolarHBondContact O-N 3.17Å; V21-L60 HydrophobicContact CG1-CD1 3.83Å; V21-L60 HydrophobicContact CG1-CD2 4.32Å; V21-L60 HydrophobicContact CG1-CG 3.96Å; W26-L60 HydrophobicContact CD2-CD1 4.19Å; W26-L60 HydrophobicContact CD2-CD2 3.92Å; W26-L60 HydrophobicContact CE3-CD1 3.51Å; W26-L60 HydrophobicContact CE3-CD2 4.1Å; W26-L60 HydrophobicContact CE3-CG 4.42Å; W26-L60 HydrophobicContact CH2-CD1 3.87Å; W26-L60 HydrophobicContact CH2-CD2 4.03Å; W26-L60 HydrophobicContact CZ2-CD1 4.49Å; W26-L60 HydrophobicContact CZ2-CD2 3.85Å; W26-L60 HydrophobicContact CZ3-CD1 3.33Å; W26-L60 HydrophobicContact CZ3-CD2 4.16Å; W26-L60 HydrophobicContact CZ3-CG 4.39Å; I48-L60 HydrophobicContact CG2-CB 4.1Å; I48-L60 HydrophobicContact CG2-CD1 4.29Å; L49-L60 CarbonylContact O-C 3.44Å; L49-L60 VanDerWaalsContact O-CA 3.3Å; L49-L60 WeakPolarHBondContact O-CA 3.22Å; I50-L60 HydrophobicContact CG1-CD2 3.96Å; L60-L82 HydrophobicContact CD1-CD2 4.14Å; L60-L86 HydrophobicContact CD1-CD1 4.25Å
61	Q	89.3	Confident	78.7	Confident	58 Å²	58	64.8 Å²	64.8	27%	0.271	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.8	171.8	-178.8	166.9	-87.2	0	0	110.5	K18 I48 L49 D51	K18-Q61 HydrophobicContact CG-CB 4.4Å; K18-Q61 HydrophobicContact CG-CG 4.5Å; I48-Q61 WeakPolarHBondContact CA-O 3.42Å; L49-Q61 PolarHBondContact N-O 2.87Å; L49-Q61 PolarHBondContact O-N 3.47Å; D51-Q61 HydrophobicContact CB-CB 3.74Å
62	L	90.7	Very high	77.4	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.8	172.5	-65.9	85.4	0	0	0	109.5	N17 V19 S47 I48 L75 A78 R79 L82	N17-L62 WeakPolarHBondContact CB-O 3.32Å; N17-L62 WeakPolarHBondContact O-CD1 3.2Å; N17-L62 PolarHBondContact O-N 2.94Å; V19-L62 HydrophobicContact CG2-CD1 3.88Å; S47-L62 VanDerWaalsContact O-CA 3.3Å; S47-L62 WeakPolarHBondContact O-CA 3.37Å; I48-L62 HydrophobicContact CG1-CG 4.33Å; L62-L75 HydrophobicContact CB-CD2 4.16Å; L62-A78 HydrophobicContact CD2-CB 3.65Å; L62-R79 HydrophobicContact CD2-CB 4.34Å; L62-L82 HydrophobicContact CD1-CD2 3.88Å; L62-L82 HydrophobicContact CD2-CD2 4.36Å; L62-L82 HydrophobicContact CG-CD2 4.31Å
63	S	86.9	Confident	76.9	Confident	36 Å²	36	71.6 Å²	71.6	25%	0.252	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140	172.7	-58	0	0	0	0	109.7	V46 S47	V46-S63 CarbonylContact C-O 3.5Å; V46-S63 VanDerWaalsContact CA-O 3.27Å; V46-S63 WeakPolarHBondContact CA-O 3.32Å; S47-S63 PolarHBondContact N-O 3.28Å; S47-S63 PolarHBondContact O-N 3.32Å; S47-S63 WeakPolarHBondContact OG-CB 3.48Å; S47-S63 PolarHBondContact OG-O 3.37Å
64	P	84.3	Confident	76.5	Confident	68 Å²	68	66.8 Å²	66.8	44%	0.442	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	142	175.3	-16.6	29	0	0	0	110.8	A70 L75	P64-A70 HydrophobicContact CB-CB 4.16Å; P64-L75 HydrophobicContact CG-CD1 3.84Å; P64-L75 HydrophobicContact CG-CD2 3.92Å; P64-L75 HydrophobicContact CG-CG 4.02Å
65	Q	79.1	Confident	76.5	Confident	107 Å²	107	66.1 Å²	66.1	50%	0.5	42%	0.416	S	S	.	.			trans	-113	127.7	168.5	-73.5	-166.8	67.6	0	0	109.8	R45 V46	R45-Q65 WeakPolarHBondContact CB-O 3.22Å; R45-Q65 PolarHBondContact O-N 2.71Å; V46-Q65 VanDerWaalsContact C-NE2 3.34Å; V46-Q65 PolarHBondContact O-NE2 2.81Å
66	G	70.1	Confident	76.6	Confident	52 Å²	52	67.5 Å²	67.5	54%	0.536	41%	0.406	S	S	.	.	S	Bend	trans	120.9	166	177.6	0	0	0	0	0	113.5
67	P	65	Low	76.6	Confident	102 Å²	102	67.1 Å²	67.1	66%	0.662	40%	0.403	S	S	*	.	S	Bend	trans	-65.3	141.3	-179.2	25.8	-32.3	0	0	0	110.8
68	P	61.1	Low	76.7	Confident	121 Å²	121	66 Å²	66	79%	0.786	40%	0.397	S	S	*	.	S	Bend	trans	-63.1	153.1	173.4	25	-31.5	0	0	0	111.6
69	P	56.5	Low	76.7	Confident	126 Å²	126	65.4 Å²	65.4	82%	0.818	40%	0.395	S	S	*	.	P	Polyproline II helix	cis	-88.7	127.9	4.8	32.3	-30.2	0	0	0	112.3
70	A	58.5	Low	76.7	Confident	55 Å²	55	70.9 Å²	70.9	46%	0.455	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.9	143.3	164.5	0	0	0	0	0	108.9	P64	P64-A70 HydrophobicContact CB-CB 4.16Å
71	P	60.4	Low	76.7	Confident	94 Å²	94	72.3 Å²	72.3	61%	0.61	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-55.9	138.9	179.4	18.9	-28.7	0	0	0	110.1	N73 G74	P71-N73 PolarHBondContact O-N 2.82Å; P71-G74 PolarHBondContact O-N 3.27Å
72	P	57.3	Low	76.9	Confident	134 Å²	134	69.6 Å²	69.6	87%	0.87	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	-169.4	19.3	-31.1	0	0	0	114.1
73	N	69.9	Low	76.9	Confident	106 Å²	106	71 Å²	71	57%	0.567	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	8.4	177	-73.1	-21.2	0	0	0	114.5	P71 L75 Y76 L77	P71-N73 PolarHBondContact O-N 2.82Å; N73-L75 PolarHBondContact O-N 3.33Å; N73-Y76 WeakPolarHBondContact O-CB 3.49Å; N73-Y76 PolarHBondContact O-N 3.29Å; N73-Y76 VanDerWaalsContact O-N 3.14Å; N73-L77 PolarHBondContact O-N 3.44Å
74	G	77.7	Confident	77.1	Confident	13 Å²	13	71 Å²	71	13%	0.134	43%	0.428	C	S	.	.	H	α-helix	trans	-56.7	-47.9	-174.1	0	0	0	0	0	113	P71 Y76 L77 A78	P71-G74 PolarHBondContact O-N 3.27Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; G74-Y76 PolarHBondContact O-N 3Å; G74-L77 PolarHBondContact O-N 3.14Å; G74-A78 VanDerWaalsContact O-CB 3.32Å; G74-A78 WeakPolarHBondContact O-CB 3.41Å; G74-A78 PolarHBondContact O-N 3.38Å
75	L	82.5	Confident	77.5	Confident	35 Å²	35	69 Å²	69	18%	0.183	41%	0.413	C	S	.	.	H	α-helix	trans	-67.9	-33.1	178.6	-68.2	177.7	0	0	0	113.2	N17 V46 L62 P64 N73 R79	N17-L75 WeakPolarHBondContact ND2-CD1 3.36Å; N17-L75 WeakPolarHBondContact OD1-CD1 3.28Å; V46-L75 HydrophobicContact CG1-CD2 3.83Å; L62-L75 HydrophobicContact CB-CD2 4.16Å; P64-L75 HydrophobicContact CG-CD1 3.84Å; P64-L75 HydrophobicContact CG-CD2 3.92Å; P64-L75 HydrophobicContact CG-CG 4.02Å; N73-L75 PolarHBondContact O-N 3.33Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 3.13Å
76	Y	81.4	Confident	78.1	Confident	139 Å²	139	63.9 Å²	63.9	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-46.5	175.1	168.4	-94.4	0	0	0	111.1	N73 G74 R79 K80	N73-Y76 WeakPolarHBondContact O-CB 3.49Å; N73-Y76 PolarHBondContact O-N 3.29Å; N73-Y76 VanDerWaalsContact O-N 3.14Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; G74-Y76 PolarHBondContact O-N 3Å; Y76-R79 PolarHBondContact O-N 3.38Å; Y76-K80 WeakPolarHBondContact O-CB 3.38Å; Y76-K80 PolarHBondContact O-N 3.46Å
77	L	84.7	Confident	79.1	Confident	87 Å²	87	65 Å²	65	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-45.7	177.2	-67.6	176.4	0	0	0	111.2	N73 G74 R79 K80 A81	N73-L77 PolarHBondContact O-N 3.44Å; G74-L77 PolarHBondContact O-N 3.14Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.79Å; L77-K80 WeakPolarHBondContact O-CB 3.32Å; L77-K80 PolarHBondContact O-N 3.09Å; L77-K80 VanDerWaalsContact O-N 3.11Å; L77-A81 PolarHBondContact O-N 3.38Å
78	A	88.9	Confident	80.3	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-44.5	175.8	0	0	0	0	0	112	H44 V46 L62 G74 A81 L82	H44-A78 HydrophobicContact CB-CB 3.67Å; V46-A78 HydrophobicContact CB-CB 4.45Å; V46-A78 HydrophobicContact CG1-CB 3.65Å; V46-A78 HydrophobicContact CG2-CB 4.03Å; L62-A78 HydrophobicContact CD2-CB 3.65Å; G74-A78 VanDerWaalsContact O-CB 3.32Å; G74-A78 WeakPolarHBondContact O-CB 3.41Å; G74-A78 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.33Å; A78-L82 WeakPolarHBondContact O-CB 3.45Å; A78-L82 PolarHBondContact O-N 2.87Å
79	R	87.9	Confident	81.8	Confident	19 Å²	19	58.2 Å²	58.2	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-41.3	175.7	170.8	176.7	162	131.3	9.9	111.8	M8 C15 K16 K18 V19 L62 L75 Y76 L77 L82 K83	M8-R79 PolarHBondContact O-NH1 2.72Å; M8-R79 PolarHBondContact O-NH2 3.25Å; M8-R79 VanDerWaalsContact O-NH2 3.15Å; C15-R79 PolarHBondContact O-NH1 2.81Å; K16-R79 WeakPolarHBondContact O-CD 3.27Å; K16-R79 PolarHBondContact O-NH1 3.26Å; K16-R79 VanDerWaalsContact O-NH1 3.13Å; K18-R79 PolarHBondContact O-NH1 3.47Å; V19-R79 HydrophobicContact CG2-CG 3.8Å; L62-R79 HydrophobicContact CD2-CB 4.34Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 PolarHBondContact O-N 3.13Å; Y76-R79 PolarHBondContact O-N 3.38Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 2.79Å; R79-L82 PolarHBondContact O-N 2.97Å; R79-K83 WeakPolarHBondContact O-CG 2.84Å; R79-K83 PolarHBondContact O-N 3.28Å
80	K	87.7	Confident	83.4	Confident	136 Å²	136	52.4 Å²	52.4	59%	0.591	29%	0.29	S	S	*	.	H	α-helix	trans	-63.8	-45.7	177.1	-174	-179.2	177.3	-176.1	0	110.7	Y76 L77 K83 G84	Y76-K80 WeakPolarHBondContact O-CB 3.38Å; Y76-K80 PolarHBondContact O-N 3.46Å; L77-K80 WeakPolarHBondContact O-CB 3.32Å; L77-K80 PolarHBondContact O-N 3.09Å; L77-K80 VanDerWaalsContact O-N 3.11Å; K80-K83 PolarHBondContact O-N 2.74Å; K80-G84 PolarHBondContact O-N 3.41Å
81	A	91.2	Very high	84.9	Confident	31 Å²	31	55.2 Å²	55.2	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.2	0	0	0	0	0	111.6	L40 H44 L77 A78 K83 G84 L85	L40-A81 HydrophobicContact CD1-CB 3.98Å; L40-A81 HydrophobicContact CG-CB 4.33Å; H44-A81 WeakPolarHBondContact NE2-CB 3.4Å; L77-A81 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.33Å; A81-K83 PolarHBondContact O-N 2.76Å; A81-G84 WeakPolarHBondContact O-CA 3.21Å; A81-G84 PolarHBondContact O-N 3.4Å; A81-G84 VanDerWaalsContact O-N 3.1Å; A81-L85 PolarHBondContact O-N 3.35Å
82	L	93	Very high	86.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-43	179.3	-179.6	60.5	0	0	0	111.4	V19 L37 L40 I48 L60 L62 A78 R79 G84 L85 L86	V19-L82 HydrophobicContact CB-CD2 4.29Å; V19-L82 HydrophobicContact CG2-CD2 4.21Å; L37-L82 HydrophobicContact CD2-CD1 4.19Å; L40-L82 HydrophobicContact CD1-CB 4.13Å; L40-L82 HydrophobicContact CD1-CD1 4.35Å; I48-L82 HydrophobicContact CD1-CD1 3.99Å; I48-L82 HydrophobicContact CD1-CD2 4.08Å; I48-L82 HydrophobicContact CG2-CD2 4.31Å; L60-L82 HydrophobicContact CD1-CD2 4.14Å; L62-L82 HydrophobicContact CD1-CD2 3.88Å; L62-L82 HydrophobicContact CD2-CD2 4.36Å; L62-L82 HydrophobicContact CG-CD2 4.31Å; A78-L82 WeakPolarHBondContact O-CB 3.45Å; A78-L82 PolarHBondContact O-N 2.87Å; R79-L82 PolarHBondContact O-N 2.97Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 3.46Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-L86 HydrophobicContact CD1-CD1 3.86Å; L82-L86 HydrophobicContact CD1-CG 4.06Å; L82-L86 HydrophobicContact CD2-CD1 4.38Å; L82-L86 HydrophobicContact CG-CD1 3.68Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 WeakPolarHBondContact O-CD1 3.48Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 3.4Å
83	K	90.1	Very high	87.9	Confident	31 Å²	31	49.4 Å²	49.4	14%	0.135	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-37.1	173.9	-73.4	-175.9	-176.1	-147.1	0	112.7	L5 S6 V19 R79 K80 A81 K87	L5-K83 WeakPolarHBondContact O-CD 3.41Å; L5-K83 WeakPolarHBondContact O-CE 3.27Å; L5-K83 PolarHBondContact O-NZ 3.44Å; S6-K83 PolarHBondContact O-NZ 2.63Å; V19-K83 HydrophobicContact CG1-CG 4.25Å; R79-K83 WeakPolarHBondContact O-CG 2.84Å; R79-K83 PolarHBondContact O-N 3.28Å; K80-K83 PolarHBondContact O-N 2.74Å; A81-K83 PolarHBondContact O-N 2.76Å; K83-K87 WeakPolarHBondContact O-CG 3.25Å; K83-K87 PolarHBondContact O-N 2.97Å
84	G	90.9	Very high	88.8	Confident	36 Å²	36	47.3 Å²	47.3	37%	0.371	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-50.4	174.2	0	0	0	0	0	111.5	K80 A81 L82 L86 K87 E88	K80-G84 PolarHBondContact O-N 3.41Å; A81-G84 WeakPolarHBondContact O-CA 3.21Å; A81-G84 PolarHBondContact O-N 3.4Å; A81-G84 VanDerWaalsContact O-N 3.1Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 3.46Å; G84-L86 VanDerWaalsContact C-N 3.33Å; G84-L86 PolarHBondContact O-N 2.9Å; G84-K87 WeakPolarHBondContact O-CB 3.42Å; G84-K87 PolarHBondContact O-N 3.3Å; G84-K87 VanDerWaalsContact O-N 3.17Å; G84-E88 PolarHBondContact O-N 3.12Å; G84-E88 VanDerWaalsContact O-N 3.12Å
85	L	93	Very high	89.4	Confident	24 Å²	24	52.1 Å²	52.1	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-42.8	179.1	-179.4	58.5	0	0	0	112.5	L29 R36 L37 L40 A81 L82 K87 E88 A89	L29-L85 HydrophobicContact CD1-CD1 3.81Å; L29-L85 HydrophobicContact CD1-CD2 3.92Å; L29-L85 HydrophobicContact CD1-CG 3.69Å; L29-L85 HydrophobicContact CD2-CD2 3.95Å; L29-L85 HydrophobicContact CD2-CG 3.91Å; L29-L85 HydrophobicContact CG-CG 4.49Å; R36-L85 HydrophobicContact CB-CD1 3.74Å; R36-L85 HydrophobicContact CB-CD2 4.21Å; R36-L85 HydrophobicContact CG-CD1 4.31Å; L37-L85 HydrophobicContact CD2-CD2 4.01Å; L37-L85 HydrophobicContact CG-CD2 4.29Å; L40-L85 HydrophobicContact CD1-CB 4.25Å; L40-L85 HydrophobicContact CD1-CD2 3.84Å; A81-L85 PolarHBondContact O-N 3.35Å; L82-L85 PolarHBondContact O-N 3.06Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.48Å; L85-E88 PolarHBondContact O-N 3.15Å; L85-A89 WeakPolarHBondContact O-CB 3.26Å; L85-A89 PolarHBondContact O-N 3.37Å
86	L	92.8	Very high	89.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-33.9	178.8	-68.5	167.3	0	0	0	112.4	L5 V19 V21 V25 W26 L29 L60 L82 G84 E90	L5-L86 HydrophobicContact CD1-CB 3.39Å; L5-L86 HydrophobicContact CD2-CB 3.59Å; L5-L86 HydrophobicContact CD2-CD1 3.29Å; L5-L86 HydrophobicContact CD2-CG 4Å; L5-L86 HydrophobicContact CG-CB 4.13Å; V19-L86 HydrophobicContact CG1-CD1 3.95Å; V21-L86 HydrophobicContact CB-CD1 4.38Å; V21-L86 HydrophobicContact CB-CD2 4.38Å; V21-L86 HydrophobicContact CG2-CD1 4.48Å; V21-L86 HydrophobicContact CG2-CD2 3.74Å; V25-L86 HydrophobicContact CG1-CD2 4.34Å; W26-L86 HydrophobicContact CE3-CD2 4Å; W26-L86 HydrophobicContact CZ3-CD2 4.37Å; L29-L86 HydrophobicContact CD2-CD2 3.49Å; L29-L86 VanDerWaalsContact CD2-CD2 3.49Å; L29-L86 HydrophobicContact CD2-CG 4.23Å; L60-L86 HydrophobicContact CD1-CD1 4.25Å; L82-L86 HydrophobicContact CD1-CD1 3.86Å; L82-L86 HydrophobicContact CD1-CG 4.06Å; L82-L86 HydrophobicContact CD2-CD1 4.38Å; L82-L86 HydrophobicContact CG-CD1 3.68Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 WeakPolarHBondContact O-CD1 3.48Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 3.4Å; G84-L86 VanDerWaalsContact C-N 3.33Å; G84-L86 PolarHBondContact O-N 2.9Å; L86-E90 WeakPolarHBondContact O-CB 3.49Å; L86-E90 PolarHBondContact O-N 3.47Å; L86-E90 VanDerWaalsContact O-N 3.1Å
87	K	90	Very high	89.8	Confident	76 Å²	76	51.2 Å²	51.2	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-39.8	172.6	-78.9	-179	174.9	-173.9	0	112.6	L5 K83 G84 L85 E90 K91	L5-K87 HydrophobicContact CD1-CG 4.19Å; K83-K87 WeakPolarHBondContact O-CG 3.25Å; K83-K87 PolarHBondContact O-N 2.97Å; G84-K87 WeakPolarHBondContact O-CB 3.42Å; G84-K87 PolarHBondContact O-N 3.3Å; G84-K87 VanDerWaalsContact O-N 3.17Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.48Å; K87-E90 PolarHBondContact O-N 3.4Å; K87-K91 WeakPolarHBondContact O-CG 3.39Å; K87-K91 PolarHBondContact O-N 3.49Å
88	E	91.2	Very high	89.6	Confident	80 Å²	80	55.4 Å²	55.4	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-67.8	-45.1	176.5	-66.2	-52.2	127.6	0	0	111.1	G84 L85 E90 K91 E92	G84-E88 PolarHBondContact O-N 3.12Å; G84-E88 VanDerWaalsContact O-N 3.12Å; L85-E88 PolarHBondContact O-N 3.15Å; E88-E90 PolarHBondContact O-N 2.86Å; E88-K91 WeakPolarHBondContact O-CB 3.49Å; E88-K91 PolarHBondContact O-N 3.17Å; E88-K91 VanDerWaalsContact O-N 3.1Å; E88-K91 IonicContact OE1-NZ 3.09Å; E88-K91 PolarHBondContact OE1-NZ 3.35Å; E88-K91 IonicContact OE2-NZ 3.4Å; E88-E92 WeakPolarHBondContact O-CG 3.37Å; E88-E92 PolarHBondContact O-N 2.99Å
89	A	92	Very high	88.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-54.9	-40.3	174.9	0	0	0	0	0	112.4	V25 F28 L29 L85 E92 L93	V25-A89 HydrophobicContact CG1-CB 4.19Å; F28-A89 HydrophobicContact CD1-CB 4.09Å; F28-A89 WeakPolarHBondContact CD1-O 3.32Å; F28-A89 HydrophobicContact CE1-CB 4.47Å; F28-A89 WeakPolarHBondContact CE1-O 3.28Å; L29-A89 HydrophobicContact CB-CB 4.04Å; L29-A89 HydrophobicContact CD1-CB 4.13Å; L85-A89 WeakPolarHBondContact O-CB 3.26Å; L85-A89 PolarHBondContact O-N 3.37Å; A89-E92 PolarHBondContact O-N 3.47Å; A89-L93 WeakPolarHBondContact O-CB 3.03Å; A89-L93 PolarHBondContact O-N 3.19Å
90	E	90.9	Very high	88	Confident	5 Å²	5	62.4 Å²	62.4	2%	0.023	31%	0.313	C	S	.	.	H	α-helix	trans	-71.6	-33.4	179	-167.6	-153.1	124.1	0	0	113.7	M1 S2 V25 L86 K87 E88 K94	M1-E90 VanDerWaalsContact CA-OE1 3.25Å; M1-E90 WeakPolarHBondContact CA-OE1 3.35Å; M1-E90 HydrophobicContact CB-CG 3.96Å; M1-E90 WeakPolarHBondContact CB-OE1 3.39Å; S2-E90 VanDerWaalsContact CA-CD 3.46Å; S2-E90 WeakPolarHBondContact CA-OE1 3.5Å; S2-E90 WeakPolarHBondContact CA-OE2 3.48Å; S2-E90 WeakPolarHBondContact CB-OE1 3.34Å; S2-E90 PolarHBondContact N-OE1 3.33Å; V25-E90 HydrophobicContact CG1-CB 4.13Å; V25-E90 HydrophobicContact CG2-CB 3.91Å; V25-E90 HydrophobicContact CG2-CG 3.68Å; L86-E90 WeakPolarHBondContact O-CB 3.49Å; L86-E90 PolarHBondContact O-N 3.47Å; L86-E90 VanDerWaalsContact O-N 3.1Å; K87-E90 PolarHBondContact O-N 3.4Å; E88-E90 PolarHBondContact O-N 2.86Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.92Å; E90-K94 VanDerWaalsContact O-N 3.13Å; E90-K94 WeakPolarHBondContact OE1-CE 3.39Å; E90-K94 IonicContact OE1-NZ 2.95Å; E90-K94 PolarHBondContact OE1-NZ 2.86Å
91	K	90.1	Very high	86.7	Confident	114 Å²	114	62.5 Å²	62.5	50%	0.496	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-44.7	171.8	-71.1	172.3	-175.3	168.7	0	110.6	K87 E88 K94 K95	K87-K91 WeakPolarHBondContact O-CG 3.39Å; K87-K91 PolarHBondContact O-N 3.49Å; E88-K91 WeakPolarHBondContact O-CB 3.49Å; E88-K91 PolarHBondContact O-N 3.17Å; E88-K91 VanDerWaalsContact O-N 3.1Å; E88-K91 IonicContact OE1-NZ 3.09Å; E88-K91 PolarHBondContact OE1-NZ 3.35Å; E88-K91 IonicContact OE2-NZ 3.4Å; K91-K94 PolarHBondContact O-N 3.49Å; K91-K95 PolarHBondContact O-N 3.33Å
92	E	90.5	Very high	85.1	Confident	79 Å²	79	67.5 Å²	67.5	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-43.1	177.4	-66.4	-56.4	125.9	0	0	111.5	F28 E88 A89 K94 K95 A96	F28-E92 HydrophobicContact CE1-CB 3.72Å; F28-E92 HydrophobicContact CZ-CB 3.73Å; E88-E92 WeakPolarHBondContact O-CG 3.37Å; E88-E92 PolarHBondContact O-N 2.99Å; A89-E92 PolarHBondContact O-N 3.47Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 2.93Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-A96 PolarHBondContact O-N 3.27Å
93	L	89.7	Confident	83.3	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.7	-178.7	60	0	0	0	111.9	P24 V25 F28 A89 K95 A96 Q97	P24-L93 HydrophobicContact CB-CD2 3.95Å; V25-L93 HydrophobicContact CG2-CD2 3.98Å; F28-L93 HydrophobicContact CB-CD1 4.24Å; F28-L93 HydrophobicContact CD1-CB 4.42Å; F28-L93 HydrophobicContact CD2-CB 4.41Å; F28-L93 HydrophobicContact CD2-CD1 3.85Å; F28-L93 HydrophobicContact CG-CB 4.25Å; F28-L93 HydrophobicContact CG-CD1 4.17Å; A89-L93 WeakPolarHBondContact O-CB 3.03Å; A89-L93 PolarHBondContact O-N 3.19Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 2.9Å; L93-A96 PolarHBondContact O-N 3Å; L93-Q97 HydrophobicContact CD1-CG 4.47Å; L93-Q97 WeakPolarHBondContact O-CB 3.4Å; L93-Q97 VanDerWaalsContact O-CG 3.27Å; L93-Q97 WeakPolarHBondContact O-CG 3.49Å; L93-Q97 PolarHBondContact O-N 3.46Å
94	K	89.1	Confident	81.3	Confident	61 Å²	61	75.2 Å²	75.2	27%	0.265	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-35.5	175.5	-72.8	176.9	-167.1	144.4	0	112.9	M1 E90 K91 E92 R98	M1-K94 VanDerWaalsContact CB-CE 3.44Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.92Å; E90-K94 VanDerWaalsContact O-N 3.13Å; E90-K94 WeakPolarHBondContact OE1-CE 3.39Å; E90-K94 IonicContact OE1-NZ 2.95Å; E90-K94 PolarHBondContact OE1-NZ 2.86Å; K91-K94 PolarHBondContact O-N 3.49Å; E92-K94 VanDerWaalsContact C-N 3.35Å; E92-K94 PolarHBondContact O-N 2.93Å; K94-R98 WeakPolarHBondContact O-CG 3.18Å; K94-R98 PolarHBondContact O-N 3.39Å; K94-R98 VanDerWaalsContact O-N 3.08Å
95	K	89.9	Confident	79.2	Confident	115 Å²	115	79 Å²	79	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-68.1	-43.9	177.7	-172.7	-178.1	175.3	-171.5	0	110.5	K91 E92 L93 R98 Q99	K91-K95 PolarHBondContact O-N 3.33Å; E92-K95 WeakPolarHBondContact O-CB 3.44Å; E92-K95 PolarHBondContact O-N 3.37Å; L93-K95 VanDerWaalsContact C-N 3.31Å; L93-K95 PolarHBondContact O-N 2.9Å; K95-R98 PolarHBondContact O-N 3.19Å; K95-Q99 WeakPolarHBondContact O-CG 3.35Å; K95-Q99 PolarHBondContact O-N 2.76Å
96	A	86.8	Confident	77	Confident	48 Å²	48	85 Å²	85	40%	0.397	44%	0.439	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.8	0	0	0	0	0	111.9	E92 L93 R98 Q99 G100	E92-A96 PolarHBondContact O-N 3.27Å; L93-A96 PolarHBondContact O-N 3Å; A96-R98 PolarHBondContact O-N 3.49Å; A96-Q99 PolarHBondContact O-N 3.22Å; A96-G100 PolarHBondContact O-N 2.93Å
97	Q	85	Confident	74.6	Confident	106 Å²	106	88.8 Å²	88.8	50%	0.495	47%	0.47	S	S	.	.	H	α-helix	trans	-61.3	-44.4	175.9	-75.2	173.5	-25.4	0	0	112.3	L93 Q99 G100 E101	L93-Q97 HydrophobicContact CD1-CG 4.47Å; L93-Q97 WeakPolarHBondContact O-CB 3.4Å; L93-Q97 VanDerWaalsContact O-CG 3.27Å; L93-Q97 WeakPolarHBondContact O-CG 3.49Å; L93-Q97 PolarHBondContact O-N 3.46Å; Q97-Q99 PolarHBondContact O-N 3.05Å; Q97-G100 PolarHBondContact O-N 3.28Å; Q97-E101 PolarHBondContact O-N 3.47Å
98	R	80.5	Confident	72.6	Confident	175 Å²	175	93 Å²	93	66%	0.66	50%	0.495	S	S	*	.	H	α-helix	trans	-65.5	-35.9	176	-73	176	179.3	-163.1	-2.6	113.1	K94 K95 A96 L102	K94-R98 WeakPolarHBondContact O-CG 3.18Å; K94-R98 PolarHBondContact O-N 3.39Å; K94-R98 VanDerWaalsContact O-N 3.08Å; K95-R98 PolarHBondContact O-N 3.19Å; A96-R98 PolarHBondContact O-N 3.49Å; R98-L102 PolarHBondContact O-N 3.37Å; R98-L102 VanDerWaalsContact O-N 3.15Å
99	Q	73.2	Confident	70	Confident	122 Å²	122	93 Å²	93	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-70.5	-34.4	176	-74.6	179.4	-25.5	0	0	111.8	K95 A96 Q97 L102 M103	K95-Q99 WeakPolarHBondContact O-CG 3.35Å; K95-Q99 PolarHBondContact O-N 2.76Å; A96-Q99 PolarHBondContact O-N 3.22Å; Q97-Q99 PolarHBondContact O-N 3.05Å; Q99-L102 PolarHBondContact O-N 3.08Å; Q99-M103 PolarHBondContact O-N 2.83Å
100	G	69.9	Low	67.4	Low	45 Å²	45	97 Å²	97	46%	0.464	56%	0.558	S	S	.	*	H	α-helix	trans	-65	-41	172	0	0	0	0	0	113.1	A96 Q97 M103 G104	A96-G100 PolarHBondContact O-N 2.93Å; Q97-G100 PolarHBondContact O-N 3.28Å; G100-M103 PolarHBondContact O-N 3.16Å; G100-G104 PolarHBondContact O-N 2.95Å
101	E	60.1	Low	64.8	Low	138 Å²	138	101 Å²	101	65%	0.645	60%	0.601	S	S	*	*	H	α-helix	trans	-65.8	-37.9	176	-73	173	158.8	0	0	112.5	Q97 C105	Q97-E101 PolarHBondContact O-N 3.47Å; E101-C105 PolarHBondContact O-N 3.27Å; E101-C105 PolarHBondContact O-SG 3.02Å; E101-C105 VanDerWaalsContact O-SG 3.4Å
102	L	58.9	Low	62.3	Low	136 Å²	136	99.1 Å²	99.1	71%	0.712	61%	0.614	S	S	*	*	H	α-helix	trans	-70.1	-33.6	175.4	-113.9	104.5	0	0	0	113	R98 Q99	R98-L102 PolarHBondContact O-N 3.37Å; R98-L102 VanDerWaalsContact O-N 3.15Å; Q99-L102 PolarHBondContact O-N 3.08Å
103	M	54.9	Low	59.8	Low	145 Å²	145	104.9 Å²	104.9	71%	0.714	64%	0.64	S	S	*	*	H	α-helix	trans	-78.3	-31	177.1	-156.6	76	95.2	0	0	111.9	Q99 G100 C105 L106	Q99-M103 PolarHBondContact O-N 2.83Å; G100-M103 PolarHBondContact O-N 3.16Å; M103-C105 VanDerWaalsContact C-N 3.31Å; M103-C105 PolarHBondContact O-N 3.15Å; M103-L106 PolarHBondContact O-N 2.67Å
104	G	47.6	Very low	57.5	Low	48 Å²	48	111.3 Å²	111.3	50%	0.495	67%	0.669	S	S	.	*	H	α-helix	trans	-67.1	-26.3	177.5	0	0	0	0	0	114.3	G100 L106	G100-G104 PolarHBondContact O-N 2.95Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 3.4Å
105	C	47.1	Very low	55.4	Low	115 Å²	115	114.2 Å²	114.2	78%	0.777	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-8.9	179.2	-67.6	0	0	0	0	114.4	E101 M103	E101-C105 PolarHBondContact O-N 3.27Å; E101-C105 PolarHBondContact O-SG 3.02Å; E101-C105 VanDerWaalsContact O-SG 3.4Å; M103-C105 VanDerWaalsContact C-N 3.31Å; M103-C105 PolarHBondContact O-N 3.15Å
106	L	46.4	Very low	53	Low	151 Å²	151	115.5 Å²	115.5	79%	0.791	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	0.9	-178.6	-68.3	172.2	0	0	0	114	M103 G104	M103-L106 PolarHBondContact O-N 2.67Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 3.4Å
107	A	43.8	Very low	50.9	Low	79 Å²	79	121.9 Å²	121.9	65%	0.653	73%	0.726	S	S	*	*	S	Bend	trans	-106.4	7.9	-168.3	0	0	0	0	0	115.9
108	L	46.5	Very low	49	Very low	163 Å²	163	124.5 Å²	124.5	85%	0.853	74%	0.738	S	S	*	*	S	Bend	trans	-124.9	111	-178.1	-66.4	175.1	0	0	0	112.8
109	G	36.3	Very low	46.9	Very low	82 Å²	82	128.3 Å²	128.3	85%	0.845	75%	0.752	S	S	*	*			trans	83	95.1	141.7	0	0	0	0	0	116.6
110	G	37.3	Very low	45.5	Very low	83 Å²	83	127.4 Å²	127.4	86%	0.856	77%	0.766	S	S	*	*			trans	-82	163.4	161.3	0	0	0	0	0	113.3
111	G	37.4	Very low	44.2	Very low	89 Å²	89	128.4 Å²	128.4	92%	0.918	78%	0.777	S	S	*	*			trans	103	117	155.8	0	0	0	0	0	115.9
112	G	36.9	Very low	44.2	Very low	74 Å²	74	127.9 Å²	127.9	76%	0.763	79%	0.785	S	S	*	*			trans	132.6	73	155	0	0	0	0	0	117.6
113	E	38.9	Very low	44.4	Very low	200 Å²	200	126.8 Å²	126.8	94%	0.935	79%	0.786	S	S	*	*			trans	46.2	124.8	142.8	-61.4	-179.1	97.2	0	0	122.7
114	H	41	Very low	44.4	Very low	162 Å²	162	125.7 Å²	125.7	75%	0.75	79%	0.79	S	S	*	*			trans	-86.1	159.6	177.3	-144.9	-111.1	0	0	0	110.1	E116	H114-E116 PolarHBondContact ND1-N 3.09Å
115	P	45.2	Very low	44.3	Very low	122 Å²	122	132 Å²	132	79%	0.792	81%	0.811	S	S	*	*				-142.6	154.8	98.2	27.3	-7.5	0	0	0	116.1
116	E	38.7	Very low	44.4	Very low	143 Å²	143	138.1 Å²	138.1	67%	0.668	82%	0.818	S	S	*	*			trans	-27.7	142	178.1	-70.2	166	81.7	0	0	118.5	H114	H114-E116 PolarHBondContact ND1-N 3.09Å
117	M	43.6	Very low	44.3	Very low	181 Å²	181	135.7 Å²	135.7	89%	0.892	82%	0.82	S	S	*	*				-161.6	148.1	120.5	-97.3	-70.2	-80.6	0	0	110.6
118	H	44.2	Very low	44.7	Very low	162 Å²	162	136.2 Å²	136.2	75%	0.75	82%	0.824	S	S	*	*			trans	-66.2	153.4	-157.2	-71.2	-177.5	0	0	0	118.6
119	R	36.7	Very low	45.2	Very low	254 Å²	254	134.2 Å²	134.2	96%	0.958	82%	0.821	S	S	*	*			trans	-54	141.9	166.3	-87.6	178.8	158.8	133.5	-4.9	113.9
120	A	43.6	Very low	45.8	Very low	103 Å²	103	138.7 Å²	138.7	85%	0.851	83%	0.825	S	S	*	*			trans	-152.2	128.6	138.5	0	0	0	0	0	109.9
121	G	43.6	Very low	46.8	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.6	164.7	-179.3	0	0	0	0	0	113.5
122	P	60.7	Low	48	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.9	142.2	-179.1	29.2	-32.2	0	0	0	110.8
123	P	62.3	Low	48.6	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-76.9	160.2	176.9	33.2	-33	0	0	0	110.9
124	P	55.7	Low	49.2	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.6	143.7	177.5	31.4	-32.2	0	0	0	110.5	R126	P124-R126 PolarHBondContact O-N 2.8Å; P124-R126 VanDerWaalsContact O-N 3.13Å
125	L	45.3	Very low	50	Low	181 Å²	181	137.6 Å²	137.6	95%	0.948	82%	0.817	S	S	*	*			trans	-61.4	111.1	174	-67.1	171	0	0	0	109.9
126	R	48.9	Very low	50.5	Low	243 Å²	243	144 Å²	144	92%	0.917	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.6	134.7	165.5	-86.8	-169.3	156.4	-160.8	-5	109.8	P124	P124-R126 PolarHBondContact O-N 2.8Å; P124-R126 VanDerWaalsContact O-N 3.13Å
127	A	44.4	Very low	51.4	Low	101 Å²	101	140.3 Å²	140.3	84%	0.835	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-57.3	132.5	175	0	0	0	0	0	111.5
128	A	51.8	Low	52.6	Low	90 Å²	90	139.6 Å²	139.6	74%	0.744	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-72.6	141.1	173.8	0	0	0	0	0	110.6
129	P	56.5	Low	54	Low	120 Å²	120	137 Å²	137	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.3	141.1	175.4	-7.6	23.9	0	0	0	110.9	L131	P129-L131 PolarHBondContact O-N 2.79Å
130	L	49.6	Very low	55.9	Low	177 Å²	177	130.4 Å²	130.4	93%	0.927	81%	0.812	S	S	*	*			trans	-65.8	114.6	168.8	-65	169.1	0	0	0	109.2
131	L	57.8	Low	57.6	Low	164 Å²	164	131 Å²	131	86%	0.859	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.1	167.7	-91.7	137.4	0	0	0	110	P129	P129-L131 PolarHBondContact O-N 2.79Å
132	P	63.2	Low	59.2	Low	107 Å²	107	133.4 Å²	133.4	70%	0.695	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.7	151.8	179.8	29.3	-33.3	0	0	0	111.5
133	P	49.4	Very low	60	Low	136 Å²	136	132.7 Å²	132.7	88%	0.883	81%	0.807	S	S	*	*	S	Bend	trans	-76.1	125.4	177.8	30.5	-30.2	0	0	0	109.7
134	G	51.5	Low	60.8	Low	76 Å²	76	133.2 Å²	133.2	78%	0.784	81%	0.81	S	S	*	*			trans	168.4	-19.3	169.8	0	0	0	0	0	119.2	R136	G134-R136 PolarHBondContact O-N 2.98Å
135	A	56.6	Low	61.8	Low	102 Å²	102	135.3 Å²	135.3	84%	0.843	81%	0.814	S	S	*	*			trans	-91.5	103.1	-178.7	0	0	0	0	0	111.4	G137	A135-G137 PolarHBondContact O-N 2.93Å
136	R	57.4	Low	63.2	Low	256 Å²	256	131.8 Å²	131.8	97%	0.966	80%	0.802	S	S	*	*			trans	-65.1	85.7	161	-76.1	-178.1	167.2	-161.9	-2.7	108.6	G134	G134-R136 PolarHBondContact O-N 2.98Å
137	G	55.9	Low	64.6	Low	66 Å²	66	125.6 Å²	125.6	68%	0.68	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.4	128.8	169.2	0	0	0	0	0	110.1	A135	A135-G137 PolarHBondContact O-N 2.93Å
138	L	70.3	Confident	66.1	Low	165 Å²	165	125.7 Å²	125.7	86%	0.864	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-52.4	141.3	168.2	-79.2	147.3	0	0	0	109.8
139	P	72.9	Confident	66.8	Low	109 Å²	109	126.1 Å²	126.1	71%	0.708	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.9	173.8	25.7	-32.3	0	0	0	109.8
140	P	76.7	Confident	67.6	Low	114 Å²	114	123.9 Å²	123.9	74%	0.74	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-58.8	147.3	174.5	25.7	-33.2	0	0	0	110.1
141	P	78.5	Confident	68.4	Low	115 Å²	115	120.2 Å²	120.2	75%	0.747	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-58.7	147	176.2	25.5	-33.3	0	0	0	110.3
142	P	77.6	Confident	68.7	Low	118 Å²	118	121.9 Å²	121.9	77%	0.766	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-60	147.7	177.7	25.4	-32.9	0	0	0	110.4
143	P	77.5	Confident	68.6	Low	113 Å²	113	120.6 Å²	120.6	73%	0.734	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-57.2	148.1	173.8	24.8	-32.9	0	0	0	110.3	L145	P143-L145 PolarHBondContact O-N 2.65Å
144	P	78.4	Confident	69	Low	123 Å²	123	119.8 Å²	119.8	80%	0.799	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-55.9	139.4	176.6	22.2	-31.1	0	0	0	110.3
145	L	77	Confident	69.4	Low	166 Å²	166	121.8 Å²	121.8	87%	0.869	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.4	177.9	-74.9	161.1	0	0	0	109.8	P143	P143-L145 PolarHBondContact O-N 2.65Å
146	P	75.6	Confident	69.5	Low	107 Å²	107	121.8 Å²	121.8	70%	0.695	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59	147.1	174.9	24.4	-31.7	0	0	0	110
147	P	78.3	Confident	69.5	Low	112 Å²	112	111.8 Å²	111.8	73%	0.727	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.8	147	178.2	24.4	-33.1	0	0	0	110.4	L149	P147-L149 PolarHBondContact O-N 3.2Å
148	P	74.8	Confident	69.6	Low	103 Å²	103	114.9 Å²	114.9	67%	0.669	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.1	131.8	178.8	16.8	-27.5	0	0	0	111.1
149	L	67.9	Low	68.9	Low	100 Å²	100	113 Å²	113	52%	0.524	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-54	137	175.5	-77.4	159.6	0	0	0	110.4	P147 L153 R154	P147-L149 PolarHBondContact O-N 3.2Å; L149-L153 HydrophobicContact CB-CB 4.48Å; L149-L153 HydrophobicContact CD2-CB 4.3Å; L149-L153 HydrophobicContact CD2-CD1 4.03Å; L149-R154 HydrophobicContact CB-CG 3.97Å; L149-R154 PolarHBondContact O-NE 3.23Å
150	P	71.9	Confident	68.2	Low	73 Å²	73	114.9 Å²	114.9	47%	0.474	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-49.6	145.2	172.8	-25.2	31.4	0	0	0	111.7	R152 L153 R154	P150-R152 PolarHBondContact O-N 3.21Å; P150-R152 VanDerWaalsContact O-N 3.09Å; P150-L153 HydrophobicContact CG-CD1 4.29Å; P150-L153 PolarHBondContact O-N 2.82Å; P150-R154 PolarHBondContact O-N 3.26Å
151	P	67	Low	67.8	Low	99 Å²	99	117.4 Å²	117.4	64%	0.643	64%	0.635	S	S	*	*	H	α-helix	trans	-49.9	-40.9	-176.2	-27.3	32.8	0	0	0	114	L153 R154 E155	P151-L153 PolarHBondContact O-N 2.91Å; P151-R154 WeakPolarHBondContact O-CB 3.43Å; P151-R154 PolarHBondContact O-N 3.48Å; P151-R154 VanDerWaalsContact O-N 3.09Å; P151-E155 PolarHBondContact O-N 3.42Å
152	R	63.2	Low	67.7	Low	199 Å²	199	114.7 Å²	114.7	75%	0.751	62%	0.619	S	S	*	*	H	α-helix	trans	-62.1	-39.2	178.3	-68.1	-170.7	174.2	-159.4	-2.5	113.9	P150 R154 E156	P150-R152 PolarHBondContact O-N 3.21Å; P150-R152 VanDerWaalsContact O-N 3.09Å; R152-R154 VanDerWaalsContact C-N 3.27Å; R152-R154 PolarHBondContact O-N 3.29Å; R152-E156 VanDerWaalsContact O-CG 3.32Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.83Å; R152-E156 VanDerWaalsContact O-N 3.12Å
153	L	61.2	Low	68.3	Low	80 Å²	80	111.6 Å²	111.6	42%	0.419	60%	0.598	S	S	.	*	H	α-helix	trans	-74.6	-22	177.5	-64	-173.7	0	0	0	111.9	L149 P150 P151 E156 A157	L149-L153 HydrophobicContact CB-CB 4.48Å; L149-L153 HydrophobicContact CD2-CB 4.3Å; L149-L153 HydrophobicContact CD2-CD1 4.03Å; P150-L153 HydrophobicContact CG-CD1 4.29Å; P150-L153 PolarHBondContact O-N 2.82Å; P151-L153 PolarHBondContact O-N 2.91Å; L153-E156 VanDerWaalsContact CD2-OE2 3.26Å; L153-E156 WeakPolarHBondContact CD2-OE2 3.32Å; L153-A157 VanDerWaalsContact O-CB 3.28Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 3.26Å; L153-A157 VanDerWaalsContact O-N 3.13Å
154	R	59.6	Low	69.1	Low	120 Å²	120	106.2 Å²	106.2	45%	0.453	56%	0.563	S	S	.	*	H	α-helix	trans	-73.8	-46.2	174.2	-63.8	-179.2	175.8	-154.4	-10.5	110.9	L149 P150 P151 R152 E156 A157 E158	L149-R154 HydrophobicContact CB-CG 3.97Å; L149-R154 PolarHBondContact O-NE 3.23Å; P150-R154 PolarHBondContact O-N 3.26Å; P151-R154 WeakPolarHBondContact O-CB 3.43Å; P151-R154 PolarHBondContact O-N 3.48Å; P151-R154 VanDerWaalsContact O-N 3.09Å; R152-R154 VanDerWaalsContact C-N 3.27Å; R152-R154 PolarHBondContact O-N 3.29Å; R154-E156 VanDerWaalsContact C-N 3.33Å; R154-E156 PolarHBondContact O-N 3.03Å; R154-A157 PolarHBondContact O-N 3.31Å; R154-A157 VanDerWaalsContact O-N 3.17Å; R154-E158 WeakPolarHBondContact O-CB 3.41Å; R154-E158 WeakPolarHBondContact O-CG 3.27Å; R154-E158 PolarHBondContact O-N 2.84Å
155	E	59.4	Low	69.7	Low	118 Å²	118	102.7 Å²	102.7	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-58.1	-47.5	174.8	-69.2	170.6	149.6	0	0	110.3	P151 A157 E158 E159	P151-E155 PolarHBondContact O-N 3.42Å; E155-A157 VanDerWaalsContact C-N 3.3Å; E155-A157 PolarHBondContact O-N 3.23Å; E155-E158 PolarHBondContact O-N 3.34Å; E155-E159 WeakPolarHBondContact O-CB 3.31Å; E155-E159 WeakPolarHBondContact O-CG 3.41Å; E155-E159 PolarHBondContact O-N 3.45Å
156	E	58	Low	70.5	Confident	102 Å²	102	97.8 Å²	97.8	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-33.2	176.7	-72.3	173.8	171.9	0	0	113.5	R152 L153 R154 Q160	R152-E156 VanDerWaalsContact O-CG 3.32Å; R152-E156 WeakPolarHBondContact O-CG 3.44Å; R152-E156 PolarHBondContact O-N 2.83Å; R152-E156 VanDerWaalsContact O-N 3.12Å; L153-E156 VanDerWaalsContact CD2-OE2 3.26Å; L153-E156 WeakPolarHBondContact CD2-OE2 3.32Å; R154-E156 VanDerWaalsContact C-N 3.33Å; R154-E156 PolarHBondContact O-N 3.03Å; E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.3Å; E156-Q160 PolarHBondContact O-NE2 3.5Å
157	A	57.5	Low	71.4	Confident	45 Å²	45	95.9 Å²	95.9	37%	0.372	50%	0.503	S	S	.	.	H	α-helix	trans	-77.9	-39	178	0	0	0	0	0	112.5	L153 R154 E155 Q160 E161	L153-A157 VanDerWaalsContact O-CB 3.28Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 3.26Å; L153-A157 VanDerWaalsContact O-N 3.13Å; R154-A157 PolarHBondContact O-N 3.31Å; R154-A157 VanDerWaalsContact O-N 3.17Å; E155-A157 VanDerWaalsContact C-N 3.3Å; E155-A157 PolarHBondContact O-N 3.23Å; A157-Q160 PolarHBondContact O-N 3.23Å; A157-E161 PolarHBondContact O-N 3.49Å
158	E	57.4	Low	72	Confident	131 Å²	131	97.4 Å²	97.4	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-70.5	-36.1	177.2	-72.5	175.8	178.1	0	0	111.9	R154 E155 Q160 E161 S162	R154-E158 WeakPolarHBondContact O-CB 3.41Å; R154-E158 WeakPolarHBondContact O-CG 3.27Å; R154-E158 PolarHBondContact O-N 2.84Å; E155-E158 PolarHBondContact O-N 3.34Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.07Å; E158-E161 PolarHBondContact O-N 2.91Å; E158-S162 PolarHBondContact O-N 2.91Å; E158-S162 VanDerWaalsContact O-N 3.17Å; E158-S162 PolarHBondContact O-OG 3.17Å
159	E	56.7	Low	72.9	Confident	125 Å²	125	94 Å²	94	58%	0.584	49%	0.487	S	S	*	.	H	α-helix	trans	-64	-36.4	171.9	-77.1	-179.7	179	0	0	112	E155 S162 T163	E155-E159 WeakPolarHBondContact O-CB 3.31Å; E155-E159 WeakPolarHBondContact O-CG 3.41Å; E155-E159 PolarHBondContact O-N 3.45Å; E159-S162 WeakPolarHBondContact CA-OG 3.46Å; E159-S162 PolarHBondContact O-N 2.93Å; E159-S162 PolarHBondContact O-OG 3.42Å; E159-T163 WeakPolarHBondContact O-CB 3.35Å; E159-T163 PolarHBondContact O-N 3.27Å; E159-T163 VanDerWaalsContact O-N 3.1Å; E159-T163 PolarHBondContact O-OG1 3.01Å
160	Q	58.1	Low	74	Confident	150 Å²	150	96.7 Å²	96.7	70%	0.701	50%	0.497	S	S	*	.	H	α-helix	trans	-69.7	-32.9	177	-78.1	172.6	64.2	0	0	113	E156 A157 E158	E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.3Å; E156-Q160 PolarHBondContact O-NE2 3.5Å; A157-Q160 PolarHBondContact O-N 3.23Å; E158-Q160 VanDerWaalsContact C-N 3.32Å; E158-Q160 PolarHBondContact O-N 3.07Å
161	E	67.2	Low	75	Confident	166 Å²	166	95 Å²	95	78%	0.776	48%	0.484	S	S	*	.	H	α-helix	trans	-76.7	-24.9	176.1	-74.1	-171.2	166.1	0	0	113.1	A157 E158 I171	A157-E161 PolarHBondContact O-N 3.49Å; E158-E161 PolarHBondContact O-N 2.91Å; E161-I171 WeakPolarHBondContact O-CD1 3.36Å
162	S	76.4	Confident	76.2	Confident	58 Å²	58	97.1 Å²	97.1	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-94.9	-8.9	-179.5	56.2	0	0	0	0	114.4	E158 E159 E170 I171	E158-S162 PolarHBondContact O-N 2.91Å; E158-S162 VanDerWaalsContact O-N 3.17Å; E158-S162 PolarHBondContact O-OG 3.17Å; E159-S162 WeakPolarHBondContact CA-OG 3.46Å; E159-S162 PolarHBondContact O-N 2.93Å; E159-S162 PolarHBondContact O-OG 3.42Å; S162-E170 WeakPolarHBondContact O-CA 3.41Å; S162-I171 WeakPolarHBondContact O-CG1 3.43Å; S162-I171 PolarHBondContact O-N 3.33Å
163	T	91.1	Very high	77.5	Confident	53 Å²	53	93.8 Å²	93.8	33%	0.325	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-95.4	127.1	178.8	-58.3	0	0	0	0	112	E159 P165	E159-T163 WeakPolarHBondContact O-CB 3.35Å; E159-T163 PolarHBondContact O-N 3.27Å; E159-T163 VanDerWaalsContact O-N 3.1Å; E159-T163 PolarHBondContact O-OG1 3.01Å; T163-P165 VanDerWaalsContact O-CD 3.27Å; T163-P165 WeakPolarHBondContact O-CD 3.5Å
164	C	94.2	Very high	79	Confident	0 Å²	0	93.4 Å²	93.4	0%	0	49%	0.491	C	S	.	.			trans	-73.6	119.1	177.4	178.4	0	0	0	0	110.9	I166 C167 L168 G169 I171 C185	C164-I166 PolarHBondContact O-N 2.86Å; C164-C167 VanDerWaalsContact CB-SG 3.5Å; C164-C167 PolarHBondContact O-N 3.18Å; C164-L168 VanDerWaalsContact O-CA 3.28Å; C164-L168 WeakPolarHBondContact O-CA 3.33Å; C164-L168 PolarHBondContact O-N 3.12Å; C164-G169 WeakPolarHBondContact CB-O 3.41Å; C164-G169 PolarHBondContact N-O 3.33Å; C164-I171 HydrophobicContact CB-CG1 3.77Å; C164-C185 WeakPolarHBondContact CB-SG 3.45Å; C164-C185 PolarHBondContact SG-N 3.25Å; C164-C185 VanDerWaalsContact SG-N 3.4Å; C164-C185 PolarHBondContact SG-SG 3.17Å
165	P	91.7	Very high	80.6	Confident	49 Å²	49	91.5 Å²	91.5	32%	0.318	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.8	-177.1	-22.4	33.5	0	0	0	115.4	T163 F184 M201	T163-P165 VanDerWaalsContact O-CD 3.27Å; T163-P165 WeakPolarHBondContact O-CD 3.5Å; P165-F184 HydrophobicContact CB-CE1 4.22Å; P165-F184 HydrophobicContact CG-CD1 4.3Å; P165-F184 HydrophobicContact CG-CE1 4.05Å; P165-M201 HydrophobicContact CB-CE 4.48Å; P165-M201 HydrophobicContact CB-CG 4.03Å; P165-M201 HydrophobicContact CB-SD 3.29Å; P165-M201 WeakPolarHBondContact CB-SD 3.44Å; P165-M201 HydrophobicContact CG-CE 3.98Å; P165-M201 HydrophobicContact CG-CG 3.82Å; P165-M201 HydrophobicContact CG-SD 3.3Å; P165-M201 WeakPolarHBondContact CG-SD 3.49Å
166	I	93.2	Very high	82.3	Confident	63 Å²	63	89.5 Å²	89.5	32%	0.323	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-42.5	-178	-62.1	166.5	0	0	0	111.3	C164 F184 C188 I189 A192 P200	C164-I166 PolarHBondContact O-N 2.86Å; I166-F184 HydrophobicContact CD1-CB 4.24Å; I166-F184 HydrophobicContact CD1-CD1 3.43Å; I166-F184 VanDerWaalsContact CD1-CD1 3.43Å; I166-F184 HydrophobicContact CD1-CE1 4.02Å; I166-F184 HydrophobicContact CD1-CG 4Å; I166-F184 HydrophobicContact CG1-CD1 3.71Å; I166-F184 HydrophobicContact CG1-CE1 4.07Å; I166-C188 HydrophobicContact CB-CB 3.8Å; I166-C188 HydrophobicContact CD1-CB 3.73Å; I166-C188 HydrophobicContact CG1-CB 4.37Å; I166-C188 HydrophobicContact CG2-CB 3.76Å; I166-I189 HydrophobicContact CD1-CB 4.44Å; I166-I189 HydrophobicContact CD1-CD1 4.46Å; I166-A192 HydrophobicContact CD1-CB 4.12Å; I166-P200 HydrophobicContact CD1-CG 3.97Å; I166-P200 HydrophobicContact CG1-CB 4.25Å; I166-P200 HydrophobicContact CG1-CG 4.23Å
167	C	94.4	Very high	83.9	Confident	68 Å²	68	85.1 Å²	85.1	46%	0.459	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.9	-178.7	64	0	0	0	0	113.7	C164 G169	C164-C167 VanDerWaalsContact CB-SG 3.5Å; C164-C167 PolarHBondContact O-N 3.18Å; C167-G169 PolarHBondContact O-N 3.37Å
168	L	92.2	Very high	85.4	Confident	144 Å²	144	91.5 Å²	91.5	75%	0.754	48%	0.484	S	S	*	.	S	Bend	trans	57.9	25.5	179.7	-49.4	178.4	0	0	0	113.9	C164	C164-L168 VanDerWaalsContact O-CA 3.28Å; C164-L168 WeakPolarHBondContact O-CA 3.33Å; C164-L168 PolarHBondContact O-N 3.12Å
169	G	91.7	Very high	86.8	Confident	30 Å²	30	91.3 Å²	91.3	31%	0.309	48%	0.481	S	S	.	.	S	Bend	trans	-126	177.6	175.3	0	0	0	0	0	110.8	C164 C167 I171	C164-G169 WeakPolarHBondContact CB-O 3.41Å; C164-G169 PolarHBondContact N-O 3.33Å; C167-G169 PolarHBondContact O-N 3.37Å; G169-I171 PolarHBondContact O-N 3.19Å
170	E	92.7	Very high	88.4	Confident	158 Å²	158	86.8 Å²	86.8	74%	0.738	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-54.3	138.4	179.4	-65.9	177.2	-173.4	0	0	112.3	S162 Q172	S162-E170 WeakPolarHBondContact O-CA 3.41Å; E170-Q172 PolarHBondContact O-N 3.26Å
171	I	92.6	Very high	90	Very high	36 Å²	36	89.4 Å²	89.4	19%	0.185	47%	0.466	C	S	.	.			trans	-66.7	105.4	178.8	-66.1	173.1	0	0	0	109.9	E161 S162 C164 G169 A174	E161-I171 WeakPolarHBondContact O-CD1 3.36Å; S162-I171 WeakPolarHBondContact O-CG1 3.43Å; S162-I171 PolarHBondContact O-N 3.33Å; C164-I171 HydrophobicContact CB-CG1 3.77Å; G169-I171 PolarHBondContact O-N 3.19Å; I171-A174 VanDerWaalsContact CG2-CA 3.48Å; I171-A174 HydrophobicContact CG2-CB 3.51Å
172	Q	90.9	Very high	91.3	Very high	145 Å²	145	84.3 Å²	84.3	68%	0.678	44%	0.442	S	S	*	.	S	Bend	trans	-91.9	130.1	170.7	-62.6	-177	4.5	0	0	110.5	E170 C185	E170-Q172 PolarHBondContact O-N 3.26Å; Q172-C185 PolarHBondContact N-SG 3.22Å; Q172-C185 VanDerWaalsContact N-SG 3.36Å; Q172-C185 WeakPolarHBondContact O-CA 3.26Å; Q172-C185 VanDerWaalsContact O-CB 3.3Å; Q172-C185 WeakPolarHBondContact O-CB 3.35Å
173	N	91.4	Very high	92.2	Very high	129 Å²	129	83.5 Å²	83.5	69%	0.69	44%	0.436	S	S	*	.	S	Bend	trans	49.8	70.4	-176.5	-63.4	-33.4	0	0	0	111.3	K175 E186	N173-K175 PolarHBondContact O-N 3.07Å; N173-E186 HydrophobicContact CB-CB 4.2Å; N173-E186 VanDerWaalsContact O-CB 3.24Å; N173-E186 WeakPolarHBondContact O-CB 3.49Å; N173-E186 PolarHBondContact O-N 3.31Å
174	A	92.8	Very high	92.4	Very high	72 Å²	72	81 Å²	81	60%	0.595	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	124.7	-172.1	0	0	0	0	0	112.3	I171	I171-A174 VanDerWaalsContact CG2-CA 3.48Å; I171-A174 HydrophobicContact CG2-CB 3.51Å
175	K	94	Very high	92.5	Very high	80 Å²	80	81.5 Å²	81.5	35%	0.348	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.4	172.8	-173	160.4	-172	163.8	0	109.8	N173 F184 E186 I189	N173-K175 PolarHBondContact O-N 3.07Å; K175-F184 PolarHBondContact N-O 3.42Å; K175-F184 PolarHBondContact O-N 3.38Å; K175-E186 HydrophobicContact CB-CB 4.12Å; K175-E186 HydrophobicContact CD-CB 4.29Å; K175-E186 HydrophobicContact CD-CG 3.94Å; K175-E186 IonicContact NZ-OE1 3.62Å; K175-E186 PolarHBondContact NZ-OE1 3.23Å; K175-I189 HydrophobicContact CB-CG2 3.9Å; K175-I189 HydrophobicContact CD-CG2 3.78Å; K175-I189 HydrophobicContact CG-CG2 3.97Å
176	T	93.8	Very high	92.7	Very high	75 Å²	75	83.5 Å²	83.5	46%	0.46	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.9	-179.6	-56.4	0	0	0	0	110	E178 R181 S183	T176-E178 PolarHBondContact O-N 2.98Å; T176-R181 HydrophobicContact CG2-CB 4.36Å; T176-S183 PolarHBondContact OG1-OG 3.38Å
177	L	91.9	Very high	92.8	Very high	10 Å²	10	82.1 Å²	82.1	5%	0.052	43%	0.43	C	S	.	.			trans	-77.1	124.5	-178.4	-65.1	-179.5	0	0	0	111.9	K179 C180 R181 H182 F184 I189 L193 C199 Y206	L177-K179 PolarHBondContact O-N 3.48Å; L177-C180 PolarHBondContact O-N 2.87Å; L177-R181 VanDerWaalsContact O-CA 3.32Å; L177-R181 WeakPolarHBondContact O-CA 3.36Å; L177-R181 PolarHBondContact O-N 3.06Å; L177-H182 PolarHBondContact N-O 2.92Å; L177-F184 HydrophobicContact CD1-CD2 4.37Å; L177-F184 HydrophobicContact CD1-CE2 3.72Å; L177-F184 HydrophobicContact CG-CD2 4.3Å; L177-F184 HydrophobicContact CG-CE2 4.06Å; L177-I189 HydrophobicContact CD1-CD1 3.98Å; L177-I189 HydrophobicContact CD1-CG1 4.38Å; L177-I189 HydrophobicContact CD2-CD1 4.22Å; L177-I189 HydrophobicContact CD2-CG1 3.76Å; L177-I189 HydrophobicContact CG-CD1 4.39Å; L177-I189 HydrophobicContact CG-CG1 4.25Å; L177-L193 HydrophobicContact CD2-CD1 4.25Å; L177-C199 HydrophobicContact CD1-CB 3.66Å; L177-Y206 HydrophobicContact CB-CE1 3.8Å; L177-Y206 HydrophobicContact CB-CE2 4.08Å; L177-Y206 VanDerWaalsContact CB-CZ 3.46Å; L177-Y206 WeakPolarHBondContact CB-OH 3.4Å; L177-Y206 HydrophobicContact CD1-CD2 4.14Å; L177-Y206 HydrophobicContact CD1-CE2 3.74Å; L177-Y206 HydrophobicContact CD2-CD1 4.43Å; L177-Y206 HydrophobicContact CD2-CE1 4.33Å; L177-Y206 HydrophobicContact CG-CE2 4.42Å; L177-Y206 PolarHBondContact O-OH 3.28Å
178	E	89.6	Confident	92.9	Very high	180 Å²	180	79.2 Å²	79.2	84%	0.841	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-47	-169.7	-63.5	171.8	-177.4	0	0	115.4	T176	T176-E178 PolarHBondContact O-N 2.98Å
179	K	85.7	Confident	93.1	Very high	127 Å²	127	72.4 Å²	72.4	55%	0.552	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-32.8	-175.2	-50.8	-179.8	-178.9	-178.8	0	115.9	L177 R204 F205 Y206	L177-K179 PolarHBondContact O-N 3.48Å; K179-R204 HydrophobicContact CB-CG 4.25Å; K179-R204 HydrophobicContact CD-CG 4.48Å; K179-F205 PolarHBondContact NZ-O 2.85Å; K179-Y206 VanDerWaalsContact CA-OH 3.31Å; K179-Y206 WeakPolarHBondContact CA-OH 3.39Å; K179-Y206 HydrophobicContact CB-CE1 4.01Å; K179-Y206 VanDerWaalsContact CB-OH 3.28Å; K179-Y206 WeakPolarHBondContact CB-OH 3.43Å; K179-Y206 HydrophobicContact CD-CE1 4.18Å; K179-Y206 HydrophobicContact CG-CE1 3.78Å; K179-Y206 PolarHBondContact N-OH 3.5Å
180	C	90.7	Very high	93.2	Very high	29 Å²	29	73.6 Å²	73.6	20%	0.196	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-8.5	-172.7	67.8	0	0	0	0	113.8	L177 H182 C199 R204 Y206	L177-C180 PolarHBondContact O-N 2.87Å; C180-H182 PolarHBondContact O-N 3.43Å; C180-H182 VanDerWaalsContact O-N 3.15Å; C180-H182 PolarHBondContact SG-ND1 3.13Å; C180-C199 VanDerWaalsContact SG-SG 3.6Å; C180-R204 HydrophobicContact CB-CB 4.36Å; C180-Y206 PolarHBondContact N-OH 3.37Å; C180-Y206 PolarHBondContact SG-OH 3.07Å
181	R	92.5	Very high	93.3	Very high	205 Å²	205	73 Å²	73	77%	0.774	37%	0.368	S	S	*	.			trans	59	18.3	178.1	-54.2	-171.1	-65.6	169.8	0.1	115.6	T176 L177	T176-R181 HydrophobicContact CG2-CB 4.36Å; L177-R181 VanDerWaalsContact O-CA 3.32Å; L177-R181 WeakPolarHBondContact O-CA 3.36Å; L177-R181 PolarHBondContact O-N 3.06Å
182	H	93.8	Very high	93.3	Very high	60 Å²	60	72.5 Å²	72.5	28%	0.278	37%	0.368	S	S	.	.			trans	-75.8	137.5	169	-62.6	114.7	0	0	0	110.9	L177 C180 F184 M201 C202	L177-H182 PolarHBondContact N-O 2.92Å; C180-H182 PolarHBondContact O-N 3.43Å; C180-H182 VanDerWaalsContact O-N 3.15Å; C180-H182 PolarHBondContact SG-ND1 3.13Å; H182-F184 HydrophobicContact CB-CE2 3.66Å; H182-F184 HydrophobicContact CB-CZ 3.86Å; H182-M201 HydrophobicContact CB-CB 4.23Å; H182-M201 HydrophobicContact CB-CG 4.27Å; H182-C202 VanDerWaalsContact CE1-SG 3.6Å
183	S	94.9	Very high	93.3	Very high	40 Å²	40	67 Å²	67	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.8	-178.4	-57.9	0	0	0	0	111.8	T176	T176-S183 PolarHBondContact OG1-OG 3.38Å
184	F	96	Very high	93.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165.3	-178.2	-55.3	-87.8	0	0	0	109.2	P165 I166 K175 L177 H182 E186 I189 P200 M201	P165-F184 HydrophobicContact CB-CE1 4.22Å; P165-F184 HydrophobicContact CG-CD1 4.3Å; P165-F184 HydrophobicContact CG-CE1 4.05Å; I166-F184 HydrophobicContact CD1-CB 4.24Å; I166-F184 HydrophobicContact CD1-CD1 3.43Å; I166-F184 VanDerWaalsContact CD1-CD1 3.43Å; I166-F184 HydrophobicContact CD1-CE1 4.02Å; I166-F184 HydrophobicContact CD1-CG 4Å; I166-F184 HydrophobicContact CG1-CD1 3.71Å; I166-F184 HydrophobicContact CG1-CE1 4.07Å; K175-F184 PolarHBondContact N-O 3.42Å; K175-F184 PolarHBondContact O-N 3.38Å; L177-F184 HydrophobicContact CD1-CD2 4.37Å; L177-F184 HydrophobicContact CD1-CE2 3.72Å; L177-F184 HydrophobicContact CG-CD2 4.3Å; L177-F184 HydrophobicContact CG-CE2 4.06Å; H182-F184 HydrophobicContact CB-CE2 3.66Å; H182-F184 HydrophobicContact CB-CZ 3.86Å; F184-E186 PolarHBondContact O-N 2.76Å; F184-I189 HydrophobicContact CB-CB 3.78Å; F184-I189 HydrophobicContact CB-CG2 4.25Å; F184-I189 HydrophobicContact CD2-CB 4.14Å; F184-I189 HydrophobicContact CD2-CD1 3.88Å; F184-I189 HydrophobicContact CD2-CG1 3.98Å; F184-I189 HydrophobicContact CE2-CD1 4.06Å; F184-I189 HydrophobicContact CG-CB 4.07Å; F184-I189 HydrophobicContact CG-CD1 4.26Å; F184-I189 HydrophobicContact CG-CG1 4.37Å; F184-P200 HydrophobicContact CE1-CB 4.26Å; F184-P200 HydrophobicContact CE1-CG 4.4Å; F184-M201 HydrophobicContact CE1-CG 3.59Å; F184-M201 HydrophobicContact CZ-CB 4.07Å; F184-M201 HydrophobicContact CZ-CG 3.45Å; F184-M201 VanDerWaalsContact CZ-CG 3.45Å
185	C	96.8	Very high	92.8	Very high	11 Å²	11	70.6 Å²	70.6	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.9	162.9	-47.8	0	0	0	0	109.6	C164 Q172 G187 C188 I189	C164-C185 WeakPolarHBondContact CB-SG 3.45Å; C164-C185 PolarHBondContact SG-N 3.25Å; C164-C185 VanDerWaalsContact SG-N 3.4Å; C164-C185 PolarHBondContact SG-SG 3.17Å; Q172-C185 PolarHBondContact N-SG 3.22Å; Q172-C185 VanDerWaalsContact N-SG 3.36Å; Q172-C185 WeakPolarHBondContact O-CA 3.26Å; Q172-C185 VanDerWaalsContact O-CB 3.3Å; Q172-C185 WeakPolarHBondContact O-CB 3.35Å; C185-G187 VanDerWaalsContact C-N 3.28Å; C185-G187 PolarHBondContact O-N 3.03Å; C185-C188 HydrophobicContact CB-CB 4Å; C185-C188 WeakPolarHBondContact O-CB 3.44Å; C185-C188 PolarHBondContact O-N 2.95Å; C185-I189 PolarHBondContact O-N 2.86Å
186	E	95.6	Very high	92.3	Very high	91 Å²	91	72.7 Å²	72.7	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-52.7	-44.9	-179.9	172.9	161.1	-136.7	0	0	112.8	N173 K175 F184 C188 I189 T190	N173-E186 HydrophobicContact CB-CB 4.2Å; N173-E186 VanDerWaalsContact O-CB 3.24Å; N173-E186 WeakPolarHBondContact O-CB 3.49Å; N173-E186 PolarHBondContact O-N 3.31Å; K175-E186 HydrophobicContact CB-CB 4.12Å; K175-E186 HydrophobicContact CD-CB 4.29Å; K175-E186 HydrophobicContact CD-CG 3.94Å; K175-E186 IonicContact NZ-OE1 3.62Å; K175-E186 PolarHBondContact NZ-OE1 3.23Å; F184-E186 PolarHBondContact O-N 2.76Å; E186-C188 PolarHBondContact O-N 3.39Å; E186-I189 WeakPolarHBondContact O-CG2 3.49Å; E186-T190 VanDerWaalsContact O-CB 3.25Å; E186-T190 WeakPolarHBondContact O-CB 3.39Å; E186-T190 PolarHBondContact O-N 3.01Å; E186-T190 PolarHBondContact O-OG1 2.81Å
187	G	95.7	Very high	92	Very high	34 Å²	34	73.8 Å²	73.8	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-38.1	177.4	0	0	0	0	0	113	C185 R191	C185-G187 VanDerWaalsContact C-N 3.28Å; C185-G187 PolarHBondContact O-N 3.03Å; G187-R191 WeakPolarHBondContact O-CG 3.3Å; G187-R191 PolarHBondContact O-N 2.57Å; G187-R191 PolarHBondContact O-NH1 3.42Å
188	C	96.5	Very high	91.8	Very high	7 Å²	7	73.6 Å²	73.6	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-49.9	179.7	-71.6	0	0	0	0	111.6	I166 C185 E186 T190 R191 A192	I166-C188 HydrophobicContact CB-CB 3.8Å; I166-C188 HydrophobicContact CD1-CB 3.73Å; I166-C188 HydrophobicContact CG1-CB 4.37Å; I166-C188 HydrophobicContact CG2-CB 3.76Å; C185-C188 HydrophobicContact CB-CB 4Å; C185-C188 WeakPolarHBondContact O-CB 3.44Å; C185-C188 PolarHBondContact O-N 2.95Å; E186-C188 PolarHBondContact O-N 3.39Å; C188-T190 PolarHBondContact O-N 3.17Å; C188-R191 PolarHBondContact O-N 3.2Å; C188-A192 WeakPolarHBondContact O-CB 3.48Å; C188-A192 PolarHBondContact O-N 3.34Å
189	I	94.8	Very high	91.9	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-70	-34.5	-178.8	-170.6	56.3	0	0	0	112.3	I166 K175 L177 F184 C185 E186 R191 A192 L193 P200	I166-I189 HydrophobicContact CD1-CB 4.44Å; I166-I189 HydrophobicContact CD1-CD1 4.46Å; K175-I189 HydrophobicContact CB-CG2 3.9Å; K175-I189 HydrophobicContact CD-CG2 3.78Å; K175-I189 HydrophobicContact CG-CG2 3.97Å; L177-I189 HydrophobicContact CD1-CD1 3.98Å; L177-I189 HydrophobicContact CD1-CG1 4.38Å; L177-I189 HydrophobicContact CD2-CD1 4.22Å; L177-I189 HydrophobicContact CD2-CG1 3.76Å; L177-I189 HydrophobicContact CG-CD1 4.39Å; L177-I189 HydrophobicContact CG-CG1 4.25Å; F184-I189 HydrophobicContact CB-CB 3.78Å; F184-I189 HydrophobicContact CB-CG2 4.25Å; F184-I189 HydrophobicContact CD2-CB 4.14Å; F184-I189 HydrophobicContact CD2-CD1 3.88Å; F184-I189 HydrophobicContact CD2-CG1 3.98Å; F184-I189 HydrophobicContact CE2-CD1 4.06Å; F184-I189 HydrophobicContact CG-CB 4.07Å; F184-I189 HydrophobicContact CG-CD1 4.26Å; F184-I189 HydrophobicContact CG-CG1 4.37Å; C185-I189 PolarHBondContact O-N 2.86Å; E186-I189 WeakPolarHBondContact O-CG2 3.49Å; I189-R191 PolarHBondContact O-N 3.19Å; I189-A192 HydrophobicContact CD1-CB 4.42Å; I189-A192 PolarHBondContact O-N 2.86Å; I189-L193 HydrophobicContact CD1-CD1 4.31Å; I189-L193 HydrophobicContact CD1-CD2 4.45Å; I189-L193 HydrophobicContact CD1-CG 3.99Å; I189-L193 HydrophobicContact CG1-CD1 4Å; I189-L193 HydrophobicContact CG1-CG 4.15Å; I189-L193 WeakPolarHBondContact O-CB 3.42Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 2.88Å; I189-P200 HydrophobicContact CD1-CG 4.12Å
190	T	94	Very high	92.2	Very high	56 Å²	56	62.3 Å²	62.3	34%	0.344	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-44.7	176.8	-60.2	0	0	0	0	111.1	E186 C188 Q194	E186-T190 VanDerWaalsContact O-CB 3.25Å; E186-T190 WeakPolarHBondContact O-CB 3.39Å; E186-T190 PolarHBondContact O-N 3.01Å; E186-T190 PolarHBondContact O-OG1 2.81Å; C188-T190 PolarHBondContact O-N 3.17Å; T190-Q194 WeakPolarHBondContact O-CG 3.45Å; T190-Q194 PolarHBondContact O-N 2.91Å
191	R	94.3	Very high	92.2	Very high	146 Å²	146	65.8 Å²	65.8	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-64.6	-44.5	173.8	-71.1	-173	-61.1	-91.5	2.7	112.2	G187 C188 I189 L193 Q194 V195	G187-R191 WeakPolarHBondContact O-CG 3.3Å; G187-R191 PolarHBondContact O-N 2.57Å; G187-R191 PolarHBondContact O-NH1 3.42Å; C188-R191 PolarHBondContact O-N 3.2Å; I189-R191 PolarHBondContact O-N 3.19Å; R191-L193 VanDerWaalsContact C-N 3.32Å; R191-L193 PolarHBondContact O-N 3.34Å; R191-Q194 WeakPolarHBondContact O-CB 3.34Å; R191-Q194 PolarHBondContact O-N 3.39Å; R191-Q194 VanDerWaalsContact O-N 3.09Å; R191-V195 PolarHBondContact O-N 3.16Å
192	A	93.3	Very high	92	Very high	24 Å²	24	59.3 Å²	59.3	20%	0.198	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-42.7	179.1	0	0	0	0	0	112.1	I166 C188 I189 Q194 V195 K196 P200	I166-A192 HydrophobicContact CD1-CB 4.12Å; C188-A192 WeakPolarHBondContact O-CB 3.48Å; C188-A192 PolarHBondContact O-N 3.34Å; I189-A192 HydrophobicContact CD1-CB 4.42Å; I189-A192 PolarHBondContact O-N 2.86Å; A192-Q194 VanDerWaalsContact C-N 3.25Å; A192-Q194 PolarHBondContact O-N 3.22Å; A192-V195 PolarHBondContact O-N 3.47Å; A192-V195 VanDerWaalsContact O-N 3.14Å; A192-K196 PolarHBondContact O-N 2.75Å; A192-K196 VanDerWaalsContact O-O 3.13Å; A192-P200 HydrophobicContact CB-CG 3.73Å
193	L	90.7	Very high	91.6	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-15.6	177.5	-69.1	178.3	0	0	0	113.9	L177 I189 R191 K196 K197	L177-L193 HydrophobicContact CD2-CD1 4.25Å; I189-L193 HydrophobicContact CD1-CD1 4.31Å; I189-L193 HydrophobicContact CD1-CD2 4.45Å; I189-L193 HydrophobicContact CD1-CG 3.99Å; I189-L193 HydrophobicContact CG1-CD1 4Å; I189-L193 HydrophobicContact CG1-CG 4.15Å; I189-L193 WeakPolarHBondContact O-CB 3.42Å; I189-L193 WeakPolarHBondContact O-CG 3.24Å; I189-L193 PolarHBondContact O-N 2.88Å; R191-L193 VanDerWaalsContact C-N 3.32Å; R191-L193 PolarHBondContact O-N 3.34Å; L193-K196 WeakPolarHBondContact CA-O 3.46Å; L193-K197 WeakPolarHBondContact O-CD 3.33Å; L193-K197 WeakPolarHBondContact O-CE 3.35Å; L193-K197 PolarHBondContact O-NZ 2.8Å
194	Q	87.7	Confident	91.1	Very high	141 Å²	141	60.4 Å²	60.4	66%	0.659	32%	0.322	S	S	*	.	H	α-helix	trans	-74.4	-35.2	169.8	-72	169.3	-7.7	0	0	111.3	T190 R191 A192	T190-Q194 WeakPolarHBondContact O-CG 3.45Å; T190-Q194 PolarHBondContact O-N 2.91Å; R191-Q194 WeakPolarHBondContact O-CB 3.34Å; R191-Q194 PolarHBondContact O-N 3.39Å; R191-Q194 VanDerWaalsContact O-N 3.09Å; A192-Q194 VanDerWaalsContact C-N 3.25Å; A192-Q194 PolarHBondContact O-N 3.22Å
195	V	86.3	Confident	90.5	Very high	135 Å²	135	61.7 Å²	61.7	82%	0.818	33%	0.328	S	S	*	.	H	α-helix	trans	-77.6	-52.5	178.6	-179.3	0	0	0	0	111.2	R191 A192	R191-V195 PolarHBondContact O-N 3.16Å; A192-V195 PolarHBondContact O-N 3.47Å; A192-V195 VanDerWaalsContact O-N 3.14Å
196	K	84	Confident	89.7	Confident	125 Å²	125	62.9 Å²	62.9	54%	0.543	33%	0.331	S	S	.	.			trans	-138.7	125.9	178.9	-173.1	179.4	-179.9	177.8	0	108.4	A192 L193 A198	A192-K196 PolarHBondContact O-N 2.75Å; A192-K196 VanDerWaalsContact O-O 3.13Å; L193-K196 WeakPolarHBondContact CA-O 3.46Å; K196-A198 HydrophobicContact CD-CB 4.07Å; K196-A198 HydrophobicContact CG-CB 3.91Å; K196-A198 PolarHBondContact O-N 3.15Å
197	K	87.4	Confident	88.8	Confident	97 Å²	97	60.8 Å²	60.8	42%	0.422	33%	0.334	S	S	.	.	S	Bend	trans	-70.3	50.3	176.2	-62.8	-66.2	172.5	-158.1	0	111.8	L193 F205 Y206	L193-K197 WeakPolarHBondContact O-CD 3.33Å; L193-K197 WeakPolarHBondContact O-CE 3.35Å; L193-K197 PolarHBondContact O-NZ 2.8Å; K197-F205 CarbonylContact O-C 3.46Å; K197-F205 WeakPolarHBondContact O-CA 3.49Å; K197-F205 WeakPolarHBondContact O-CD1 3.21Å; K197-Y206 WeakPolarHBondContact CB-O 3.38Å; K197-Y206 PolarHBondContact O-N 2.7Å
198	A	88.2	Confident	88	Confident	6 Å²	6	65.5 Å²	65.5	5%	0.05	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-143.8	148.7	-178.3	0	0	0	0	0	111.2	K196 P200 R204 F205	K196-A198 HydrophobicContact CD-CB 4.07Å; K196-A198 HydrophobicContact CG-CB 3.91Å; K196-A198 PolarHBondContact O-N 3.15Å; A198-P200 WeakPolarHBondContact O-CD 3.5Å; A198-R204 CarbonylContact C-O 3.48Å; A198-R204 VanDerWaalsContact CA-O 3.24Å; A198-R204 WeakPolarHBondContact CA-O 3.34Å; A198-F205 HydrophobicContact CB-CD1 3.98Å; A198-F205 HydrophobicContact CB-CE1 4.17Å; A198-F205 HydrophobicContact CB-CG 4.35Å
199	C	91.1	Very high	87.4	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.02	36%	0.36	C	S	.	.			trans	-61.6	127.3	174.7	177.2	0	0	0	0	110.5	L177 C180 M201 C202 G203 R204 Y206	L177-C199 HydrophobicContact CD1-CB 3.66Å; C180-C199 VanDerWaalsContact SG-SG 3.6Å; C199-M201 PolarHBondContact O-N 3.5Å; C199-M201 PolarHBondContact SG-N 2.92Å; C199-M201 VanDerWaalsContact SG-N 3.42Å; C199-C202 VanDerWaalsContact SG-SG 3.68Å; C199-G203 WeakPolarHBondContact O-CA 3.43Å; C199-G203 PolarHBondContact O-N 3Å; C199-R204 HydrophobicContact CB-CB 4.42Å; C199-R204 PolarHBondContact N-O 2.92Å; C199-Y206 HydrophobicContact CB-CD2 4.45Å; C199-Y206 HydrophobicContact CB-CE2 4.04Å
200	P	91.8	Very high	87.2	Confident	68 Å²	68	72 Å²	72	44%	0.442	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.1	177.1	-28	39	0	0	0	114.6	I166 F184 I189 A192 A198	I166-P200 HydrophobicContact CD1-CG 3.97Å; I166-P200 HydrophobicContact CG1-CB 4.25Å; I166-P200 HydrophobicContact CG1-CG 4.23Å; F184-P200 HydrophobicContact CE1-CB 4.26Å; F184-P200 HydrophobicContact CE1-CG 4.4Å; I189-P200 HydrophobicContact CD1-CG 4.12Å; A192-P200 HydrophobicContact CB-CG 3.73Å; A198-P200 WeakPolarHBondContact O-CD 3.5Å
201	M	89.7	Confident	87.2	Confident	102 Å²	102	70.2 Å²	70.2	50%	0.502	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-45.7	-178.9	-74.2	-72.7	-77.9	0	0	113.3	P165 H182 F184 C199	P165-M201 HydrophobicContact CB-CE 4.48Å; P165-M201 HydrophobicContact CB-CG 4.03Å; P165-M201 HydrophobicContact CB-SD 3.29Å; P165-M201 WeakPolarHBondContact CB-SD 3.44Å; P165-M201 HydrophobicContact CG-CE 3.98Å; P165-M201 HydrophobicContact CG-CG 3.82Å; P165-M201 HydrophobicContact CG-SD 3.3Å; P165-M201 WeakPolarHBondContact CG-SD 3.49Å; H182-M201 HydrophobicContact CB-CB 4.23Å; H182-M201 HydrophobicContact CB-CG 4.27Å; F184-M201 HydrophobicContact CE1-CG 3.59Å; F184-M201 HydrophobicContact CZ-CB 4.07Å; F184-M201 HydrophobicContact CZ-CG 3.45Å; F184-M201 VanDerWaalsContact CZ-CG 3.45Å; C199-M201 PolarHBondContact O-N 3.5Å; C199-M201 PolarHBondContact SG-N 2.92Å; C199-M201 VanDerWaalsContact SG-N 3.42Å
202	C	89	Confident	87.2	Confident	68 Å²	68	64.7 Å²	64.7	46%	0.459	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-2.4	-171.4	69.1	0	0	0	0	114.7	H182 C199 R204	H182-C202 VanDerWaalsContact CE1-SG 3.6Å; C199-C202 VanDerWaalsContact SG-SG 3.68Å; C202-R204 PolarHBondContact O-N 2.77Å
203	G	85.1	Confident	87.4	Confident	35 Å²	35	63.8 Å²	63.8	36%	0.361	35%	0.349	S	S	.	.			trans	73.6	4.1	-179.1	0	0	0	0	0	115.5	C199 F205	C199-G203 WeakPolarHBondContact O-CA 3.43Å; C199-G203 PolarHBondContact O-N 3Å; G203-F205 PolarHBondContact O-N 3.24Å
204	R	84.2	Confident	87.7	Confident	89 Å²	89	62.5 Å²	62.5	34%	0.336	34%	0.342	S	S	.	.			trans	-62	129.4	178.7	-172.5	74.2	-156.5	-151.4	3.7	111	K179 C180 A198 C199 C202 Y206 D347	K179-R204 HydrophobicContact CB-CG 4.25Å; K179-R204 HydrophobicContact CD-CG 4.48Å; C180-R204 HydrophobicContact CB-CB 4.36Å; A198-R204 CarbonylContact C-O 3.48Å; A198-R204 VanDerWaalsContact CA-O 3.24Å; A198-R204 WeakPolarHBondContact CA-O 3.34Å; C199-R204 HydrophobicContact CB-CB 4.42Å; C199-R204 PolarHBondContact N-O 2.92Å; C202-R204 PolarHBondContact O-N 2.77Å; R204-Y206 HydrophobicContact CB-CE2 4.18Å; R204-Y206 HydrophobicContact CG-CE2 4.23Å; R204-Y206 WeakPolarHBondContact O-CD2 3.29Å; R204-Y206 WeakPolarHBondContact O-CE2 3.49Å; R204-D347 IonicContact NH2-OD2 3.39Å
205	F	83.6	Confident	88.1	Confident	27 Å²	27	63.1 Å²	63.1	12%	0.118	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-75.6	135.6	-178.2	-71.9	-88.6	0	0	0	114.5	K179 K197 A198 G203 L209 A341	K179-F205 PolarHBondContact NZ-O 2.85Å; K197-F205 CarbonylContact O-C 3.46Å; K197-F205 WeakPolarHBondContact O-CA 3.49Å; K197-F205 WeakPolarHBondContact O-CD1 3.21Å; A198-F205 HydrophobicContact CB-CD1 3.98Å; A198-F205 HydrophobicContact CB-CE1 4.17Å; A198-F205 HydrophobicContact CB-CG 4.35Å; G203-F205 PolarHBondContact O-N 3.24Å; F205-L209 HydrophobicContact CE1-CD1 4.4Å; F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CZ-CD2 4.28Å; F205-A341 WeakPolarHBondContact CE2-O 3.47Å
206	Y	79.8	Confident	88.5	Confident	36 Å²	36	59.7 Å²	59.7	14%	0.141	32%	0.322	C	S	.	.			trans	-123.4	77.1	177.1	-73.6	-94.9	0	0	0	109.6	L177 K179 C180 K197 C199 R204	L177-Y206 HydrophobicContact CB-CE1 3.8Å; L177-Y206 HydrophobicContact CB-CE2 4.08Å; L177-Y206 VanDerWaalsContact CB-CZ 3.46Å; L177-Y206 WeakPolarHBondContact CB-OH 3.4Å; L177-Y206 HydrophobicContact CD1-CD2 4.14Å; L177-Y206 HydrophobicContact CD1-CE2 3.74Å; L177-Y206 HydrophobicContact CD2-CD1 4.43Å; L177-Y206 HydrophobicContact CD2-CE1 4.33Å; L177-Y206 HydrophobicContact CG-CE2 4.42Å; L177-Y206 PolarHBondContact O-OH 3.28Å; K179-Y206 VanDerWaalsContact CA-OH 3.31Å; K179-Y206 WeakPolarHBondContact CA-OH 3.39Å; K179-Y206 HydrophobicContact CB-CE1 4.01Å; K179-Y206 VanDerWaalsContact CB-OH 3.28Å; K179-Y206 WeakPolarHBondContact CB-OH 3.43Å; K179-Y206 HydrophobicContact CD-CE1 4.18Å; K179-Y206 HydrophobicContact CG-CE1 3.78Å; K179-Y206 PolarHBondContact N-OH 3.5Å; C180-Y206 PolarHBondContact N-OH 3.37Å; C180-Y206 PolarHBondContact SG-OH 3.07Å; K197-Y206 WeakPolarHBondContact CB-O 3.38Å; K197-Y206 PolarHBondContact O-N 2.7Å; C199-Y206 HydrophobicContact CB-CD2 4.45Å; C199-Y206 HydrophobicContact CB-CE2 4.04Å; R204-Y206 HydrophobicContact CB-CE2 4.18Å; R204-Y206 HydrophobicContact CG-CE2 4.23Å; R204-Y206 WeakPolarHBondContact O-CD2 3.29Å; R204-Y206 WeakPolarHBondContact O-CE2 3.49Å
207	G	78.2	Confident	89.1	Confident	47 Å²	47	54.3 Å²	54.3	49%	0.485	30%	0.303	S	S	.	.	S	Bend	trans	142.3	172.4	-175.2	0	0	0	0	0	109.9
208	Q	78.6	Confident	89.6	Confident	133 Å²	133	57.3 Å²	57.3	62%	0.621	31%	0.311	S	S	*	.			trans	-90.4	119.1	172.7	-164.8	170.5	37	0	0	108.6	V210 Q288	Q208-V210 HydrophobicContact CG-CG2 4.49Å; Q208-V210 PolarHBondContact O-N 3.21Å; Q208-Q288 VanDerWaalsContact CG-CD 3.42Å; Q208-Q288 HydrophobicContact CG-CG 3.83Å
209	L	83.8	Confident	90	Very high	61 Å²	61	58.6 Å²	58.6	32%	0.319	32%	0.317	S	S	.	.			trans	-76.2	123	172.8	-175.2	69	0	0	0	107.7	F205 Q288 L290 K342	F205-L209 HydrophobicContact CE1-CD1 4.4Å; F205-L209 HydrophobicContact CE1-CD2 4.18Å; F205-L209 HydrophobicContact CZ-CD2 4.28Å; L209-Q288 PolarHBondContact O-OE1 3.21Å; L209-L290 HydrophobicContact CB-CD1 4.35Å; L209-L290 HydrophobicContact CD2-CD1 4.3Å; L209-L290 HydrophobicContact CD2-CD2 3.82Å; L209-L290 HydrophobicContact CG-CD1 4.44Å; L209-L290 HydrophobicContact CG-CD2 3.97Å; L209-K342 WeakPolarHBondContact CD2-O 3.32Å
210	V	90.5	Very high	90.4	Very high	84 Å²	84	62.3 Å²	62.3	51%	0.509	34%	0.336	S	S	.	.			trans	-113.3	124.1	176.3	-177	0	0	0	0	108.5	Q208 Q288 R289	Q208-V210 HydrophobicContact CG-CG2 4.49Å; Q208-V210 PolarHBondContact O-N 3.21Å; V210-Q288 CarbonylContact C-O 3.58Å; V210-Q288 VanDerWaalsContact CA-O 3.31Å; V210-Q288 WeakPolarHBondContact CA-O 3.44Å; V210-R289 HydrophobicContact CG1-CB 4.24Å; V210-R289 HydrophobicContact CG1-CG 4.29Å
211	G	93.1	Very high	90.7	Very high	17 Å²	17	61.5 Å²	61.5	18%	0.175	33%	0.329	C	S	.	.			trans	-85.2	-172.4	176.9	0	0	0	0	0	113.4	Q288 R289	G211-Q288 PolarHBondContact N-O 3.05Å; G211-R289 CarbonylContact C-O 3.53Å; G211-R289 WeakPolarHBondContact CA-O 3.44Å; G211-R289 WeakPolarHBondContact O-CB 3.43Å; G211-R289 PolarHBondContact O-NE 2.85Å
212	N	94.9	Very high	91.1	Very high	31 Å²	31	59.9 Å²	59.9	17%	0.166	33%	0.328	C	S	.	.			trans	-109.8	27.2	179.5	70.8	-11.2	0	0	0	112.7	E252 H253 T293	N212-E252 HydrophobicContact CB-CB 4.35Å; N212-E252 HydrophobicContact CB-CG 3.72Å; N212-E252 PolarHBondContact ND2-O 3.36Å; N212-H253 PolarHBondContact O-CD2 2.91Å; N212-H253 VanDerWaalsContact O-CD2 3.28Å; N212-H253 PolarHBondContact O-NE2 3.46Å; N212-T293 PolarHBondContact ND2-OG1 2.86Å; N212-T293 WeakPolarHBondContact OD1-CA 3.48Å; N212-T293 VanDerWaalsContact OD1-CB 3.26Å; N212-T293 WeakPolarHBondContact OD1-CB 3.47Å; N212-T293 PolarHBondContact OD1-OG1 3.38Å
213	Q	97.7	Very high	91.5	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.023	33%	0.331	C	S	.	.			trans	-56.4	136.3	166.7	170.9	177.7	-61.9	0	0	110.3	Q215 F244 F286 R289 F292	Q213-Q215 PolarHBondContact O-N 3.07Å; Q213-F244 HydrophobicContact CG-CE1 3.59Å; Q213-F244 HydrophobicContact CG-CZ 3.62Å; Q213-F286 PolarHBondContact NE2-O 2.79Å; Q213-R289 HydrophobicContact CB-CB 3.79Å; Q213-R289 VanDerWaalsContact CB-O 3.24Å; Q213-R289 WeakPolarHBondContact CB-O 3.43Å; Q213-R289 PolarHBondContact N-O 3.39Å; Q213-R289 PolarHBondContact O-NE 2.9Å; Q213-R289 PolarHBondContact O-NH2 2.8Å; Q213-F292 HydrophobicContact CB-CB 4.21Å; Q213-F292 WeakPolarHBondContact CB-O 3.25Å; Q213-F292 HydrophobicContact CG-CB 3.93Å; Q213-F292 VanDerWaalsContact OE1-N 3.11Å
214	P	97.1	Very high	91.9	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.019	33%	0.328	C	S	.	.			trans	-58.4	137.2	175.8	-28.7	38.1	0	0	0	113.4	N216 G217 F244 Y260 I294 I306	P214-N216 VanDerWaalsContact C-N 3.29Å; P214-N216 VanDerWaalsContact CB-OD1 3.3Å; P214-N216 WeakPolarHBondContact CB-OD1 3.38Å; P214-N216 PolarHBondContact O-N 3.08Å; P214-G217 PolarHBondContact O-N 3.38Å; P214-F244 HydrophobicContact CB-CD1 4.14Å; P214-F244 HydrophobicContact CB-CE1 4.33Å; P214-F244 HydrophobicContact CG-CD1 4.48Å; P214-F244 WeakPolarHBondContact O-CE1 3.29Å; P214-Y260 HydrophobicContact CB-CE2 4.43Å; P214-Y260 WeakPolarHBondContact CB-OH 3.45Å; P214-Y260 HydrophobicContact CG-CE1 4.46Å; P214-Y260 HydrophobicContact CG-CE2 4.2Å; P214-I294 HydrophobicContact CG-CD1 3.83Å; P214-I294 HydrophobicContact CG-CG1 3.9Å; P214-I306 HydrophobicContact CG-CD1 4.21Å; P214-I306 HydrophobicContact CG-CG1 4.15Å
215	Q	95.4	Very high	92.4	Very high	154 Å²	154	63 Å²	63	72%	0.72	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.3	-174.3	-61.7	179.9	23.9	0	0	113.7	Q213 G217	Q213-Q215 PolarHBondContact O-N 3.07Å; Q215-G217 PolarHBondContact O-N 2.78Å
216	N	94.7	Very high	92.9	Very high	62 Å²	62	67.5 Å²	67.5	33%	0.332	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	8.3	178.2	61.5	-1.6	0	0	0	113.5	P214 P245 Y260	P214-N216 VanDerWaalsContact C-N 3.29Å; P214-N216 VanDerWaalsContact CB-OD1 3.3Å; P214-N216 WeakPolarHBondContact CB-OD1 3.38Å; P214-N216 PolarHBondContact O-N 3.08Å; N216-P245 HydrophobicContact CB-CG 3.97Å; N216-P245 WeakPolarHBondContact O-CD 3.14Å; N216-Y260 PolarHBondContact ND2-OH 3.08Å
217	G	96.7	Very high	93.5	Very high	13 Å²	13	68.1 Å²	68.1	13%	0.134	38%	0.38	C	S	.	.			trans	-76.2	150.4	174.2	0	0	0	0	0	113	P214 Q215 V243	P214-G217 PolarHBondContact O-N 3.38Å; Q215-G217 PolarHBondContact O-N 2.78Å; G217-V243 CarbonylContact C-O 3.49Å; G217-V243 WeakPolarHBondContact CA-O 3.33Å
218	R	97.9	Very high	94.2	Very high	159 Å²	159	70.1 Å²	70.1	60%	0.6	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.4	171.8	-64.8	-178.6	-69.4	-175.9	-0.7	110.6	Y242 V243	R218-Y242 WeakPolarHBondContact O-CA 2.88Å; R218-V243 PolarHBondContact N-O 2.74Å; R218-V243 PolarHBondContact O-N 2.96Å
219	M	98.2	Very high	94.9	Very high	34 Å²	34	63.8 Å²	63.8	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.5	170.1	178.5	179.8	176.4	0	0	108.5	V221 I240 Y242 L279 F282 R283 F286	M219-V221 HydrophobicContact CE-CG2 4.05Å; M219-V221 HydrophobicContact CG-CG2 4.39Å; M219-I240 HydrophobicContact CE-CD1 4.27Å; M219-I240 HydrophobicContact CE-CG2 3.62Å; M219-I240 HydrophobicContact CG-CG2 3.95Å; M219-I240 HydrophobicContact SD-CG2 4.5Å; M219-Y242 HydrophobicContact CB-CD1 3.94Å; M219-Y242 HydrophobicContact CB-CE1 3.85Å; M219-Y242 HydrophobicContact CE-CE1 4.34Å; M219-Y242 HydrophobicContact CG-CD1 3.97Å; M219-Y242 HydrophobicContact CG-CE1 3.48Å; M219-Y242 VanDerWaalsContact CG-CE1 3.48Å; M219-Y242 HydrophobicContact SD-CE1 3.67Å; M219-L279 HydrophobicContact CE-CD1 3.9Å; M219-F282 HydrophobicContact CE-CB 4.06Å; M219-R283 HydrophobicContact CE-CG 3.8Å; M219-R283 HydrophobicContact SD-CG 4.01Å; M219-F286 HydrophobicContact CB-CD1 3.83Å; M219-F286 HydrophobicContact CB-CD2 4.14Å; M219-F286 HydrophobicContact CB-CE1 3.83Å; M219-F286 HydrophobicContact CB-CE2 4.12Å; M219-F286 HydrophobicContact CB-CG 3.98Å; M219-F286 HydrophobicContact CB-CZ 3.98Å; M219-F286 HydrophobicContact SD-CB 3.91Å; M219-F286 HydrophobicContact SD-CG 4.09Å
220	L	98	Very high	95.5	Very high	81 Å²	81	62.5 Å²	62.5	42%	0.424	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	177.8	-55	172	0	0	0	108.5	I240 Q241 V243	L220-I240 CarbonylContact O-C 3.41Å; L220-I240 WeakPolarHBondContact O-CA 3.41Å; L220-Q241 HydrophobicContact CB-CB 4.31Å; L220-Q241 PolarHBondContact N-O 3.06Å; L220-Q241 PolarHBondContact O-N 2.93Å; L220-V243 HydrophobicContact CD1-CG2 4.39Å
221	V	98.3	Very high	95.6	Very high	50 Å²	50	61.9 Å²	61.9	30%	0.303	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.7	-178.2	-176.3	0	0	0	0	108.9	M219 I238 V239 L279	M219-V221 HydrophobicContact CE-CG2 4.05Å; M219-V221 HydrophobicContact CG-CG2 4.39Å; V221-I238 HydrophobicContact CG1-CG2 3.67Å; V221-V239 WeakPolarHBondContact CA-O 3.2Å; V221-L279 HydrophobicContact CG1-CD1 4.06Å; V221-L279 HydrophobicContact CG1-CD2 4.01Å; V221-L279 HydrophobicContact CG2-CD1 3.98Å
222	S	97.8	Very high	95.7	Very high	68 Å²	68	62.5 Å²	62.5	48%	0.476	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.1	170.5	59.5	0	0	0	0	110.3	I238 V239	S222-I238 WeakPolarHBondContact O-CA 3.4Å; S222-V239 PolarHBondContact N-O 2.8Å; S222-V239 PolarHBondContact O-N 3.19Å
223	K	97.3	Very high	95.6	Very high	118 Å²	118	66.3 Å²	66.3	51%	0.513	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	176.5	-67.4	-178.7	168.5	-143.2	0	108.6	T237 I238 D271 N276	K223-T237 CarbonylContact C-O 3.51Å; K223-T237 WeakPolarHBondContact CA-O 3.25Å; K223-I238 HydrophobicContact CG-CG1 4.33Å; K223-D271 WeakPolarHBondContact CD-OD2 3.5Å; K223-D271 VanDerWaalsContact NZ-CG 3.3Å; K223-D271 IonicContact NZ-OD1 2.74Å; K223-D271 PolarHBondContact NZ-OD1 3.28Å; K223-D271 IonicContact NZ-OD2 3.62Å; K223-D271 PolarHBondContact NZ-OD2 2.83Å; K223-D271 VanDerWaalsContact NZ-OD2 3.08Å; K223-N276 PolarHBondContact NZ-OD1 3.47Å
224	D	94.9	Very high	95.4	Very high	57 Å²	57	74.2 Å²	74.2	31%	0.305	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	108.5	179.9	-175	-15.7	0	0	0	108.9	T226 L227 T237 V239	D224-T226 VanDerWaalsContact C-N 3.28Å; D224-T226 WeakPolarHBondContact OD1-CA 3.06Å; D224-T226 WeakPolarHBondContact OD1-CB 3.46Å; D224-T226 PolarHBondContact OD1-N 3.46Å; D224-T226 PolarHBondContact OD1-OG1 3.22Å; D224-L227 HydrophobicContact CB-CB 4.1Å; D224-L227 PolarHBondContact OD1-N 2.82Å; D224-T237 PolarHBondContact N-O 3.37Å; D224-T237 PolarHBondContact O-N 2.71Å; D224-V239 HydrophobicContact CB-CG2 4.48Å
225	A	94.6	Very high	95.3	Very high	83 Å²	83	77.5 Å²	77.5	69%	0.686	41%	0.405	S	S	*	.	S	Bend	trans	-76.2	-15.6	179.6	0	0	0	0	0	113.4
226	T	92.6	Very high	95.3	Very high	122 Å²	122	70.8 Å²	70.8	75%	0.748	38%	0.378	S	S	*	.	S	Bend	trans	-88.7	-25.4	-178.4	70.9	0	0	0	0	112.2	D224 L228	D224-T226 VanDerWaalsContact C-N 3.28Å; D224-T226 WeakPolarHBondContact OD1-CA 3.06Å; D224-T226 WeakPolarHBondContact OD1-CB 3.46Å; D224-T226 PolarHBondContact OD1-N 3.46Å; D224-T226 PolarHBondContact OD1-OG1 3.22Å; T226-L228 PolarHBondContact O-N 3.23Å
227	L	92.5	Very high	95.4	Very high	49 Å²	49	67.9 Å²	67.9	26%	0.257	36%	0.362	S	S	.	.			trans	-81.8	111	175.1	-176	60.5	0	0	0	109.6	D224 T237 V239 Y268 C317	D224-L227 HydrophobicContact CB-CB 4.1Å; D224-L227 PolarHBondContact OD1-N 2.82Å; L227-T237 HydrophobicContact CD2-CG2 3.82Å; L227-T237 HydrophobicContact CG-CG2 4.26Å; L227-T237 WeakPolarHBondContact O-CB 3.41Å; L227-T237 PolarHBondContact O-N 2.61Å; L227-T237 PolarHBondContact O-OG1 2.65Å; L227-V239 HydrophobicContact CD2-CG2 4.36Å; L227-Y268 HydrophobicContact CD2-CD1 4.18Å; L227-Y268 HydrophobicContact CD2-CE1 4.1Å; L227-C317 HydrophobicContact CD1-CB 4.46Å
228	L	92.8	Very high	95.5	Very high	88 Å²	88	67.2 Å²	67.2	46%	0.461	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-103.3	126.4	180	-55.2	-177.7	0	0	0	110.4	T226 Y235	T226-L228 PolarHBondContact O-N 3.23Å; L228-Y235 WeakPolarHBondContact CD2-O 3.31Å
229	L	95	Very high	95.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-86.6	135.5	173.5	-60.8	176.7	0	0	0	109.7	S231 Y232 E233 T237 P270 C317 Y326	L229-S231 PolarHBondContact O-N 3.03Å; L229-Y232 CarbonylContact O-C 3.55Å; L229-Y232 WeakPolarHBondContact O-CA 3Å; L229-Y232 PolarHBondContact O-N 3.17Å; L229-E233 PolarHBondContact O-N 3.07Å; L229-T237 HydrophobicContact CD1-CG2 4.16Å; L229-T237 HydrophobicContact CD2-CG2 4.28Å; L229-T237 HydrophobicContact CG-CG2 4.22Å; L229-T237 WeakPolarHBondContact CG-OG1 3.34Å; L229-P270 HydrophobicContact CD1-CB 4.2Å; L229-C317 HydrophobicContact CD2-CB 3.66Å; L229-Y326 HydrophobicContact CB-CD1 4.46Å; L229-Y326 HydrophobicContact CB-CD2 4.37Å; L229-Y326 HydrophobicContact CB-CG 4.18Å; L229-Y326 HydrophobicContact CD1-CD1 4.45Å; L229-Y326 HydrophobicContact CD1-CD2 3.89Å; L229-Y326 HydrophobicContact CD1-CE1 4.18Å; L229-Y326 HydrophobicContact CD1-CE2 3.58Å; L229-Y326 HydrophobicContact CD1-CG 4.32Å; L229-Y326 HydrophobicContact CD2-CD2 3.78Å; L229-Y326 HydrophobicContact CD2-CE2 4.14Å; L229-Y326 HydrophobicContact CD2-CG 4.38Å; L229-Y326 HydrophobicContact CG-CD2 4.22Å; L229-Y326 HydrophobicContact CG-CE2 4.38Å
230	P	94.7	Very high	95.5	Very high	33 Å²	33	59.2 Å²	59.2	21%	0.214	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	131.8	171.2	-28.4	33.9	0	0	0	112.3	Y232 E233 C317 T318 P327	P230-Y232 VanDerWaalsContact C-N 3.28Å; P230-E233 VanDerWaalsContact CA-OE1 3.3Å; P230-E233 WeakPolarHBondContact CA-OE1 2.98Å; P230-C317 WeakPolarHBondContact CD-O 3.25Å; P230-T318 HydrophobicContact CG-CG2 4.48Å; P230-P327 HydrophobicContact CB-CB 3.95Å; P230-P327 HydrophobicContact CB-CG 4.2Å
231	S	92.7	Very high	95.5	Very high	72 Å²	72	59 Å²	59	50%	0.503	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	1.9	-173.5	-47.5	0	0	0	0	116.4	L229 E233 P327	L229-S231 PolarHBondContact O-N 3.03Å; S231-E233 VanDerWaalsContact C-OE2 3.29Å; S231-E233 VanDerWaalsContact CA-OE2 3.3Å; S231-E233 WeakPolarHBondContact CA-OE2 3.41Å; S231-E233 VanDerWaalsContact N-CD 3.32Å; S231-E233 PolarHBondContact N-OE1 3.41Å; S231-E233 PolarHBondContact N-OE2 2.87Å; S231-P327 WeakPolarHBondContact OG-CB 3.45Å
232	Y	95	Very high	95.5	Very high	30 Å²	30	56.7 Å²	56.7	12%	0.118	31%	0.309	C	S	.	.			trans	-133.3	28.7	177.4	-62.1	-87.9	0	0	0	111.6	L229 P230 K234 Y235 P270 Y326 L332	L229-Y232 CarbonylContact O-C 3.55Å; L229-Y232 WeakPolarHBondContact O-CA 3Å; L229-Y232 PolarHBondContact O-N 3.17Å; P230-Y232 VanDerWaalsContact C-N 3.28Å; Y232-K234 PolarHBondContact O-N 3.1Å; Y232-K234 VanDerWaalsContact O-N 3.07Å; Y232-Y235 HydrophobicContact CD1-CD2 4.13Å; Y232-Y235 HydrophobicContact CD1-CE2 4.45Å; Y232-Y235 WeakPolarHBondContact O-CA 3.19Å; Y232-Y235 WeakPolarHBondContact O-CB 3.13Å; Y232-Y235 PolarHBondContact O-N 2.91Å; Y232-Y235 VanDerWaalsContact O-O 3.14Å; Y232-P270 HydrophobicContact CD1-CB 3.48Å; Y232-P270 VanDerWaalsContact CD1-CB 3.48Å; Y232-P270 HydrophobicContact CD1-CG 3.7Å; Y232-P270 HydrophobicContact CD2-CB 4.06Å; Y232-P270 HydrophobicContact CD2-CG 4.18Å; Y232-P270 HydrophobicContact CE1-CB 4.08Å; Y232-P270 HydrophobicContact CE1-CG 3.74Å; Y232-P270 HydrophobicContact CE2-CG 4.23Å; Y232-P270 HydrophobicContact CG-CB 3.47Å; Y232-P270 VanDerWaalsContact CG-CB 3.47Å; Y232-P270 HydrophobicContact CG-CG 3.93Å; Y232-Y326 HydrophobicContact CD2-CD1 4.2Å; Y232-Y326 HydrophobicContact CD2-CE1 4.33Å; Y232-Y326 HydrophobicContact CE2-CD1 4.02Å; Y232-Y326 AromaticContact CE2-CE1 3.99Å; Y232-Y326 HydrophobicContact CE2-CE1 3.99Å; Y232-L332 HydrophobicContact CE1-CD1 4.21Å
233	E	93.1	Very high	95.5	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.9	-172.2	-62.9	80.7	-179.4	0	0	113.7	L229 P230 S231 Y235	L229-E233 PolarHBondContact O-N 3.07Å; P230-E233 VanDerWaalsContact CA-OE1 3.3Å; P230-E233 WeakPolarHBondContact CA-OE1 2.98Å; S231-E233 VanDerWaalsContact C-OE2 3.29Å; S231-E233 VanDerWaalsContact CA-OE2 3.3Å; S231-E233 WeakPolarHBondContact CA-OE2 3.41Å; S231-E233 VanDerWaalsContact N-CD 3.32Å; S231-E233 PolarHBondContact N-OE1 3.41Å; S231-E233 PolarHBondContact N-OE2 2.87Å; E233-Y235 PolarHBondContact O-N 3.17Å
234	K	94.1	Very high	95.5	Very high	172 Å²	172	49.4 Å²	49.4	75%	0.748	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.4	172.8	64.1	175	170.1	168	0	114	Y232	Y232-K234 PolarHBondContact O-N 3.1Å; Y232-K234 VanDerWaalsContact O-N 3.07Å
235	Y	94.4	Very high	95.6	Very high	71 Å²	71	49.3 Å²	49.3	28%	0.278	27%	0.274	S	S	.	.	S	Bend	trans	-120.8	157.6	-179.1	-57.6	-72.2	0	0	0	110.4	L228 Y232 E233 D271 C272	L228-Y235 WeakPolarHBondContact CD2-O 3.31Å; Y232-Y235 HydrophobicContact CD1-CD2 4.13Å; Y232-Y235 HydrophobicContact CD1-CE2 4.45Å; Y232-Y235 WeakPolarHBondContact O-CA 3.19Å; Y232-Y235 WeakPolarHBondContact O-CB 3.13Å; Y232-Y235 PolarHBondContact O-N 2.91Å; Y232-Y235 VanDerWaalsContact O-O 3.14Å; E233-Y235 PolarHBondContact O-N 3.17Å; Y235-D271 WeakPolarHBondContact CD1-O 3.01Å; Y235-C272 HydrophobicContact CD1-CB 3.65Å; Y235-C272 HydrophobicContact CD2-CB 3.5Å; Y235-C272 HydrophobicContact CE1-CB 3.65Å; Y235-C272 HydrophobicContact CE2-CB 3.44Å; Y235-C272 VanDerWaalsContact CE2-CB 3.44Å; Y235-C272 HydrophobicContact CG-CB 3.6Å
236	G	95.5	Very high	95.7	Very high	14 Å²	14	49.9 Å²	49.9	14%	0.144	27%	0.27	C	S	.	.			trans	-74.6	-172.4	166.2	0	0	0	0	0	112.4	D271	G236-D271 WeakPolarHBondContact O-CB 3.17Å; G236-D271 PolarHBondContact O-N 2.86Å
237	T	98	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.9	174.8	-62.5	0	0	0	0	111.1	K223 D224 L227 L229 V239 Y268	K223-T237 CarbonylContact C-O 3.51Å; K223-T237 WeakPolarHBondContact CA-O 3.25Å; D224-T237 PolarHBondContact N-O 3.37Å; D224-T237 PolarHBondContact O-N 2.71Å; L227-T237 HydrophobicContact CD2-CG2 3.82Å; L227-T237 HydrophobicContact CG-CG2 4.26Å; L227-T237 WeakPolarHBondContact O-CB 3.41Å; L227-T237 PolarHBondContact O-N 2.61Å; L227-T237 PolarHBondContact O-OG1 2.65Å; L229-T237 HydrophobicContact CD1-CG2 4.16Å; L229-T237 HydrophobicContact CD2-CG2 4.28Å; L229-T237 HydrophobicContact CG-CG2 4.22Å; L229-T237 WeakPolarHBondContact CG-OG1 3.34Å; T237-V239 HydrophobicContact CG2-CG2 4.24Å; T237-Y268 HydrophobicContact CG2-CD1 3.9Å; T237-Y268 HydrophobicContact CG2-CG 4.46Å
238	I	98.6	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.7	164.2	-59.4	163.9	0	0	0	107.7	V221 S222 K223 I240 Y268 L269 D271 L279	V221-I238 HydrophobicContact CG1-CG2 3.67Å; S222-I238 WeakPolarHBondContact O-CA 3.4Å; K223-I238 HydrophobicContact CG-CG1 4.33Å; I238-I240 HydrophobicContact CG2-CG1 4.01Å; I238-Y268 WeakPolarHBondContact O-CA 3.26Å; I238-L269 HydrophobicContact CB-CB 4.2Å; I238-L269 HydrophobicContact CD1-CB 4.41Å; I238-L269 PolarHBondContact N-O 2.87Å; I238-L269 PolarHBondContact O-N 3.39Å; I238-D271 HydrophobicContact CD1-CB 4.38Å; I238-D271 HydrophobicContact CG1-CB 3.91Å; I238-L279 HydrophobicContact CD1-CD2 4.21Å; I238-L279 HydrophobicContact CG2-CD1 4.2Å; I238-L279 HydrophobicContact CG2-CD2 4.09Å
239	V	98.1	Very high	96.4	Very high	25 Å²	25	42.4 Å²	42.4	15%	0.152	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.8	175.3	-174.7	0	0	0	0	108.7	V221 S222 D224 L227 T237 V266 Y268	V221-V239 WeakPolarHBondContact CA-O 3.2Å; S222-V239 PolarHBondContact N-O 2.8Å; S222-V239 PolarHBondContact O-N 3.19Å; D224-V239 HydrophobicContact CB-CG2 4.48Å; L227-V239 HydrophobicContact CD2-CG2 4.36Å; T237-V239 HydrophobicContact CG2-CG2 4.24Å; V239-V266 HydrophobicContact CG1-CG1 3.71Å; V239-Y268 HydrophobicContact CG1-CD1 4.44Å; V239-Y268 HydrophobicContact CG1-CE1 4.11Å; V239-Y268 HydrophobicContact CG2-CD1 4.12Å; V239-Y268 HydrophobicContact CG2-CE1 4.17Å
240	I	98.5	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.2	-179.3	-52.1	175.6	0	0	0	108.2	M219 L220 I238 Y242 V266 A267 L269 L279 F282	M219-I240 HydrophobicContact CE-CD1 4.27Å; M219-I240 HydrophobicContact CE-CG2 3.62Å; M219-I240 HydrophobicContact CG-CG2 3.95Å; M219-I240 HydrophobicContact SD-CG2 4.5Å; L220-I240 CarbonylContact O-C 3.41Å; L220-I240 WeakPolarHBondContact O-CA 3.41Å; I238-I240 HydrophobicContact CG2-CG1 4.01Å; I240-Y242 HydrophobicContact CB-CE2 4.44Å; I240-Y242 HydrophobicContact CG2-CD2 4.23Å; I240-Y242 HydrophobicContact CG2-CE1 4.07Å; I240-Y242 HydrophobicContact CG2-CE2 3.56Å; I240-Y242 VanDerWaalsContact CG2-CZ 3.47Å; I240-V266 CarbonylContact O-C 3.56Å; I240-V266 VanDerWaalsContact O-CA 3.3Å; I240-V266 WeakPolarHBondContact O-CA 3.3Å; I240-A267 HydrophobicContact CB-CB 4.44Å; I240-A267 PolarHBondContact N-O 2.85Å; I240-A267 PolarHBondContact O-N 2.96Å; I240-L269 HydrophobicContact CD1-CD1 3.83Å; I240-L269 HydrophobicContact CD1-CG 4.15Å; I240-L279 HydrophobicContact CD1-CD1 3.66Å; I240-L279 HydrophobicContact CG1-CD1 4.07Å; I240-F282 HydrophobicContact CD1-CD2 3.75Å; I240-F282 HydrophobicContact CD1-CE2 4.34Å
241	Q	97.8	Very high	96.5	Very high	77 Å²	77	46.5 Å²	46.5	36%	0.36	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.8	177.7	-173.2	-179.7	30.1	0	0	110.3	L220 V243 T264 V266	L220-Q241 HydrophobicContact CB-CB 4.31Å; L220-Q241 PolarHBondContact N-O 3.06Å; L220-Q241 PolarHBondContact O-N 2.93Å; Q241-V243 HydrophobicContact CG-CG2 3.9Å; Q241-T264 HydrophobicContact CG-CG2 4.1Å; Q241-V266 HydrophobicContact CG-CG2 4.27Å
242	Y	98.3	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.5	172	-60.5	-75.1	0	0	0	109.6	R218 M219 I240 T264 R265 F286 T291 F292 W308 H313	R218-Y242 WeakPolarHBondContact O-CA 2.88Å; M219-Y242 HydrophobicContact CB-CD1 3.94Å; M219-Y242 HydrophobicContact CB-CE1 3.85Å; M219-Y242 HydrophobicContact CE-CE1 4.34Å; M219-Y242 HydrophobicContact CG-CD1 3.97Å; M219-Y242 HydrophobicContact CG-CE1 3.48Å; M219-Y242 VanDerWaalsContact CG-CE1 3.48Å; M219-Y242 HydrophobicContact SD-CE1 3.67Å; I240-Y242 HydrophobicContact CB-CE2 4.44Å; I240-Y242 HydrophobicContact CG2-CD2 4.23Å; I240-Y242 HydrophobicContact CG2-CE1 4.07Å; I240-Y242 HydrophobicContact CG2-CE2 3.56Å; I240-Y242 VanDerWaalsContact CG2-CZ 3.47Å; Y242-T264 CarbonylContact O-C 3.58Å; Y242-T264 VanDerWaalsContact O-CA 3.27Å; Y242-T264 WeakPolarHBondContact O-CA 3.19Å; Y242-R265 PolarHBondContact N-O 3.35Å; Y242-R265 PolarHBondContact O-N 2.99Å; Y242-F286 AromaticContact CD1-CD2 3.67Å; Y242-F286 HydrophobicContact CD1-CD2 3.67Å; Y242-F286 AromaticContact CD1-CE2 3.58Å; Y242-F286 HydrophobicContact CD1-CE2 3.58Å; Y242-F286 AromaticContact CE1-CD2 3.53Å; Y242-F286 HydrophobicContact CE1-CD2 3.53Å; Y242-F286 AromaticContact CE1-CE2 3.96Å; Y242-F286 HydrophobicContact CE1-CE2 3.96Å; Y242-F286 HydrophobicContact CE1-CG 4.28Å; Y242-T291 HydrophobicContact CE1-CG2 4.25Å; Y242-F292 AromaticContact CD1-CE2 3.69Å; Y242-F292 HydrophobicContact CD1-CE2 3.69Å; Y242-F292 HydrophobicContact CD1-CZ 4.4Å; Y242-F292 AromaticContact CD2-CE2 3.91Å; Y242-F292 HydrophobicContact CD2-CE2 3.91Å; Y242-F292 AromaticContact CD2-CZ 3.86Å; Y242-F292 HydrophobicContact CD2-CZ 3.86Å; Y242-F292 HydrophobicContact CE1-CE2 4.22Å; Y242-F292 HydrophobicContact CE2-CE2 4.43Å; Y242-F292 AromaticContact CG-CE2 3.49Å; Y242-F292 HydrophobicContact CG-CE2 3.49Å; Y242-F292 VanDerWaalsContact CG-CE2 3.49Å; Y242-F292 AromaticContact CG-CZ 3.74Å; Y242-F292 HydrophobicContact CG-CZ 3.74Å; Y242-W308 AromaticContact CD2-CH2 3.98Å; Y242-W308 HydrophobicContact CD2-CH2 3.98Å; Y242-W308 HydrophobicContact CD2-CZ3 4.25Å; Y242-W308 HydrophobicContact CE2-CH2 4.11Å; Y242-W308 HydrophobicContact CE2-CZ3 4.18Å; Y242-H313 AromaticContact CE2-CD2 3.75Å; Y242-H313 AromaticContact CE2-NE2 3.67Å; Y242-H313 AromaticContact CZ-NE2 3.75Å; Y242-H313 PolarHBondContact OH-NE2 2.89Å; Y242-H313 VanDerWaalsContact OH-NE2 3.16Å
243	V	97.1	Very high	96.6	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.6	-179.1	-174.7	0	0	0	0	109.3	G217 R218 L220 Q241 T264	G217-V243 CarbonylContact C-O 3.49Å; G217-V243 WeakPolarHBondContact CA-O 3.33Å; R218-V243 PolarHBondContact N-O 2.74Å; R218-V243 PolarHBondContact O-N 2.96Å; L220-V243 HydrophobicContact CD1-CG2 4.39Å; Q241-V243 HydrophobicContact CG-CG2 3.9Å; V243-T264 HydrophobicContact CG2-CG2 4.28Å
244	F	97.8	Very high	96.7	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.7	174.4	-69.1	-94.6	0	0	0	109.9	Q213 P214 G262 T263 F286 F292 I306	Q213-F244 HydrophobicContact CG-CE1 3.59Å; Q213-F244 HydrophobicContact CG-CZ 3.62Å; P214-F244 HydrophobicContact CB-CD1 4.14Å; P214-F244 HydrophobicContact CB-CE1 4.33Å; P214-F244 HydrophobicContact CG-CD1 4.48Å; P214-F244 WeakPolarHBondContact O-CE1 3.29Å; F244-G262 CarbonylContact O-C 3.2Å; F244-G262 WeakPolarHBondContact O-CA 3.4Å; F244-T263 HydrophobicContact CB-CG2 4.21Å; F244-T263 HydrophobicContact CD2-CG2 4.11Å; F244-T263 PolarHBondContact N-O 3.49Å; F244-T263 PolarHBondContact O-N 2.86Å; F244-F286 HydrophobicContact CE2-CE2 4.28Å; F244-F286 AromaticContact CZ-CE2 3.79Å; F244-F286 HydrophobicContact CZ-CE2 3.79Å; F244-F286 HydrophobicContact CZ-CZ 4.28Å; F244-F292 HydrophobicContact CE2-CD1 4.36Å; F244-F292 AromaticContact CE2-CD2 3.5Å; F244-F292 HydrophobicContact CE2-CD2 3.5Å; F244-F292 HydrophobicContact CE2-CE1 4.46Å; F244-F292 AromaticContact CE2-CE2 3.65Å; F244-F292 HydrophobicContact CE2-CE2 3.65Å; F244-F292 AromaticContact CE2-CG 3.89Å; F244-F292 HydrophobicContact CE2-CG 3.89Å; F244-F292 HydrophobicContact CE2-CZ 4.14Å; F244-F292 HydrophobicContact CZ-CB 4.23Å; F244-F292 AromaticContact CZ-CD2 3.59Å; F244-F292 HydrophobicContact CZ-CD2 3.59Å; F244-F292 HydrophobicContact CZ-CE2 4.16Å; F244-F292 AromaticContact CZ-CG 3.98Å; F244-F292 HydrophobicContact CZ-CG 3.98Å; F244-I306 HydrophobicContact CB-CD1 3.39Å; F244-I306 HydrophobicContact CD1-CD1 3.99Å; F244-I306 HydrophobicContact CD2-CG2 4.35Å; F244-I306 HydrophobicContact CG-CD1 3.75Å; F244-I306 HydrophobicContact CG-CG2 4.48Å
245	P	96.3	Very high	96.8	Very high	56 Å²	56	40 Å²	40	36%	0.364	25%	0.247	S	C	.	.			trans	-72.4	163.3	169.3	30.9	-31.2	0	0	0	110.9	N216 G262	N216-P245 HydrophobicContact CB-CG 3.97Å; N216-P245 WeakPolarHBondContact O-CD 3.14Å; P245-G262 VanDerWaalsContact C-CA 3.49Å
246	P	96.9	Very high	96.9	Very high	94 Å²	94	40.4 Å²	40.4	61%	0.61	26%	0.259	S	S	*	.			trans	-62.4	154.3	169.4	28.6	-35	0	0	0	110.9	Y260	P246-Y260 WeakPolarHBondContact CA-O 3.46Å
247	G	97.4	Very high	97	Very high	19 Å²	19	42.4 Å²	42.4	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-167.1	-179.5	0	0	0	0	0	113.7	R259 Y260	G247-R259 CarbonylContact O-C 3.42Å; G247-R259 VanDerWaalsContact O-CA 3.31Å; G247-R259 WeakPolarHBondContact O-CA 3.32Å; G247-Y260 VanDerWaalsContact C-CE1 3.42Å; G247-Y260 VanDerWaalsContact CA-CZ 3.47Å; G247-Y260 PolarHBondContact N-O 2.97Å; G247-Y260 VanDerWaalsContact N-O 3.12Å; G247-Y260 PolarHBondContact O-N 3.17Å
248	V	97.7	Very high	97	Very high	78 Å²	78	45.4 Å²	45.4	47%	0.473	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.1	179.5	-179.2	0	0	0	0	108.8	G250 G257 R259 Y260	V248-G250 PolarHBondContact O-N 3.08Å; V248-G257 WeakPolarHBondContact CG1-O 3.42Å; V248-R259 HydrophobicContact CG2-CG 4.13Å; V248-Y260 VanDerWaalsContact C-CE1 3.5Å; V248-Y260 WeakPolarHBondContact O-CE1 3.32Å
249	Q	97.8	Very high	97	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.023	33%	0.334	C	S	.	.			trans	-63.6	122.1	177.3	-76.8	-176.2	68.8	0	0	111.2	H253 N255 P256 G257 V258 Y260 I294 N304	Q249-H253 HydrophobicContact CB-CB 3.78Å; Q249-H253 HydrophobicContact CG-CB 3.8Å; Q249-N255 WeakPolarHBondContact CB-O 3.49Å; Q249-N255 VanDerWaalsContact CD-O 3.31Å; Q249-N255 PolarHBondContact OE1-O 2.97Å; Q249-P256 WeakPolarHBondContact O-CA 3.26Å; Q249-G257 PolarHBondContact O-N 3.45Å; Q249-V258 WeakPolarHBondContact CB-O 3.21Å; Q249-V258 VanDerWaalsContact CG-O 3.32Å; Q249-V258 WeakPolarHBondContact CG-O 3.42Å; Q249-V258 PolarHBondContact N-O 3.42Å; Q249-Y260 HydrophobicContact CG-CD1 3.97Å; Q249-I294 HydrophobicContact CG-CD1 3.79Å; Q249-I294 HydrophobicContact CG-CG2 4.13Å; Q249-N304 PolarHBondContact NE2-OD1 2.66Å
250	G	95.7	Very high	96.9	Very high	27 Å²	27	54.6 Å²	54.6	28%	0.278	33%	0.329	S	S	.	.			trans	-72.3	179.9	166.1	0	0	0	0	0	113.5	V248 E252 H253	V248-G250 PolarHBondContact O-N 3.08Å; G250-E252 WeakPolarHBondContact CA-OE2 3.22Å; G250-E252 PolarHBondContact O-N 2.82Å; G250-H253 PolarHBondContact N-ND1 3.1Å; G250-H253 PolarHBondContact O-N 3.32Å; G250-H253 PolarHBondContact O-ND1 3.23Å
251	A	96.3	Very high	96.8	Very high	94 Å²	94	56.8 Å²	56.8	78%	0.777	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	-175.7	0	0	0	0	0	114.3	H253	A251-H253 VanDerWaalsContact C-N 3.35Å
252	E	93	Very high	96.6	Very high	83 Å²	83	54.8 Å²	54.8	39%	0.388	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.9	179.7	73.2	-87.9	-133.9	0	0	114.2	N212 G250 R289	N212-E252 HydrophobicContact CB-CB 4.35Å; N212-E252 HydrophobicContact CB-CG 3.72Å; N212-E252 PolarHBondContact ND2-O 3.36Å; G250-E252 WeakPolarHBondContact CA-OE2 3.22Å; G250-E252 PolarHBondContact O-N 2.82Å; E252-R289 IonicContact OE1-CZ 2.61Å; E252-R289 IonicContact OE1-NH1 2.65Å; E252-R289 PolarHBondContact OE1-NH1 3.05Å; E252-R289 VanDerWaalsContact OE1-NH1 3.15Å; E252-R289 IonicContact OE1-NH2 2.76Å; E252-R289 PolarHBondContact OE1-NH2 3.04Å
253	H	96.5	Very high	96.5	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.065	35%	0.354	C	S	.	.	S	Bend	trans	-99.6	161.9	-177.5	-57.6	108.7	0	0	0	111.3	N212 Q249 G250 A251 N255 P256	N212-H253 PolarHBondContact O-CD2 2.91Å; N212-H253 VanDerWaalsContact O-CD2 3.28Å; N212-H253 PolarHBondContact O-NE2 3.46Å; Q249-H253 HydrophobicContact CB-CB 3.78Å; Q249-H253 HydrophobicContact CG-CB 3.8Å; G250-H253 PolarHBondContact N-ND1 3.1Å; G250-H253 PolarHBondContact O-N 3.32Å; G250-H253 PolarHBondContact O-ND1 3.23Å; A251-H253 VanDerWaalsContact C-N 3.35Å; H253-N255 VanDerWaalsContact C-N 3.27Å; H253-N255 PolarHBondContact O-N 3.05Å; H253-P256 WeakPolarHBondContact O-CD 3.37Å
254	P	94.8	Very high	96.4	Very high	75 Å²	75	59.1 Å²	59.1	49%	0.487	37%	0.37	S	S	.	.	S	Bend	trans	-57.2	-34.5	-174	-28	36.1	0	0	0	115.1	I294	P254-I294 WeakPolarHBondContact CD-O 3.09Å; P254-I294 WeakPolarHBondContact CG-O 3.2Å
255	N	96.5	Very high	96.3	Very high	74 Å²	74	61.3 Å²	61.3	40%	0.396	38%	0.378	S	S	.	.	S	Bend	trans	-133.4	79.7	-177.6	-59.9	-68	0	0	0	110.6	Q249 H253 G257 V258 N304	Q249-N255 WeakPolarHBondContact CB-O 3.49Å; Q249-N255 VanDerWaalsContact CD-O 3.31Å; Q249-N255 PolarHBondContact OE1-O 2.97Å; H253-N255 VanDerWaalsContact C-N 3.27Å; H253-N255 PolarHBondContact O-N 3.05Å; N255-G257 PolarHBondContact O-N 2.79Å; N255-V258 HydrophobicContact CB-CB 3.92Å; N255-V258 HydrophobicContact CB-CG2 3.64Å; N255-V258 VanDerWaalsContact O-CB 3.29Å; N255-V258 WeakPolarHBondContact O-CB 3.37Å; N255-V258 PolarHBondContact O-N 2.83Å; N255-N304 PolarHBondContact ND2-OD1 2.83Å
256	P	97.4	Very high	96.3	Very high	81 Å²	81	60.9 Å²	60.9	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.6	179.8	-26.1	36	0	0	0	112.2	Q249 H253 V258	Q249-P256 WeakPolarHBondContact O-CA 3.26Å; H253-P256 WeakPolarHBondContact O-CD 3.37Å; P256-V258 VanDerWaalsContact C-N 3.27Å; P256-V258 PolarHBondContact O-N 3.06Å
257	G	97.4	Very high	96.4	Very high	56 Å²	56	56.4 Å²	56.4	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-14.8	-176	0	0	0	0	0	115.2	V248 Q249 N255	V248-G257 WeakPolarHBondContact CG1-O 3.42Å; Q249-G257 PolarHBondContact O-N 3.45Å; N255-G257 PolarHBondContact O-N 2.79Å
258	V	97.6	Very high	96.4	Very high	62 Å²	62	57.8 Å²	57.8	38%	0.376	35%	0.345	S	S	.	.			trans	-80.4	140.7	177	179.5	0	0	0	0	111	Q249 N255 P256 N304	Q249-V258 WeakPolarHBondContact CB-O 3.21Å; Q249-V258 VanDerWaalsContact CG-O 3.32Å; Q249-V258 WeakPolarHBondContact CG-O 3.42Å; Q249-V258 PolarHBondContact N-O 3.42Å; N255-V258 HydrophobicContact CB-CB 3.92Å; N255-V258 HydrophobicContact CB-CG2 3.64Å; N255-V258 VanDerWaalsContact O-CB 3.29Å; N255-V258 WeakPolarHBondContact O-CB 3.37Å; N255-V258 PolarHBondContact O-N 2.83Å; P256-V258 VanDerWaalsContact C-N 3.27Å; P256-V258 PolarHBondContact O-N 3.06Å; V258-N304 HydrophobicContact CG1-CB 4.41Å
259	R	97.7	Very high	96.4	Very high	205 Å²	205	54.1 Å²	54.1	77%	0.774	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	146.6	177.6	-69.9	-176.7	178.7	-127.8	1.2	112.4	G247 V248	G247-R259 CarbonylContact O-C 3.42Å; G247-R259 VanDerWaalsContact O-CA 3.31Å; G247-R259 WeakPolarHBondContact O-CA 3.32Å; V248-R259 HydrophobicContact CG2-CG 4.13Å
260	Y	97.1	Very high	96.4	Very high	14 Å²	14	53.9 Å²	53.9	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.6	166.8	60.2	-95.7	0	0	0	110.4	P214 N216 P246 G247 V248 Q249 I294 N304 I306	P214-Y260 HydrophobicContact CB-CE2 4.43Å; P214-Y260 WeakPolarHBondContact CB-OH 3.45Å; P214-Y260 HydrophobicContact CG-CE1 4.46Å; P214-Y260 HydrophobicContact CG-CE2 4.2Å; N216-Y260 PolarHBondContact ND2-OH 3.08Å; P246-Y260 WeakPolarHBondContact CA-O 3.46Å; G247-Y260 VanDerWaalsContact C-CE1 3.42Å; G247-Y260 VanDerWaalsContact CA-CZ 3.47Å; G247-Y260 PolarHBondContact N-O 2.97Å; G247-Y260 VanDerWaalsContact N-O 3.12Å; G247-Y260 PolarHBondContact O-N 3.17Å; V248-Y260 VanDerWaalsContact C-CE1 3.5Å; V248-Y260 WeakPolarHBondContact O-CE1 3.32Å; Q249-Y260 HydrophobicContact CG-CD1 3.97Å; Y260-I294 HydrophobicContact CD1-CD1 3.23Å; Y260-I294 HydrophobicContact CD2-CD1 4.38Å; Y260-I294 HydrophobicContact CE1-CD1 3.49Å; Y260-I294 VanDerWaalsContact CE1-CD1 3.49Å; Y260-I294 HydrophobicContact CG-CD1 3.72Å; Y260-N304 WeakPolarHBondContact CA-O 3.4Å; Y260-N304 VanDerWaalsContact CB-O 3.23Å; Y260-N304 WeakPolarHBondContact CB-O 3.15Å; Y260-I306 HydrophobicContact CD2-CD1 3.79Å; Y260-I306 HydrophobicContact CD2-CG1 3.99Å; Y260-I306 HydrophobicContact CE2-CD1 3.82Å; Y260-I306 HydrophobicContact CE2-CG1 4.35Å
261	P	95.2	Very high	96.5	Very high	46 Å²	46	54.6 Å²	54.6	30%	0.299	32%	0.319	S	S	.	.			trans	-74.9	151.8	174.3	32.4	-34.2	0	0	0	111.2	N304 V305	P261-N304 WeakPolarHBondContact CD-O 3.34Å; P261-V305 HydrophobicContact CG-CB 4.49Å; P261-V305 HydrophobicContact CG-CG1 3.8Å
262	G	95.1	Very high	96.5	Very high	34 Å²	34	50.4 Å²	50.4	35%	0.351	28%	0.284	S	S	.	.			trans	-68.2	165.2	170.6	0	0	0	0	0	112.4	F244 P245	F244-G262 CarbonylContact O-C 3.2Å; F244-G262 WeakPolarHBondContact O-CA 3.4Å; P245-G262 VanDerWaalsContact C-CA 3.49Å
263	T	94.7	Very high	96.7	Very high	37 Å²	37	51.4 Å²	51.4	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.6	176.7	-164.7	0	0	0	0	111.6	F244 I306	F244-T263 HydrophobicContact CB-CG2 4.21Å; F244-T263 HydrophobicContact CD2-CG2 4.11Å; F244-T263 PolarHBondContact N-O 3.49Å; F244-T263 PolarHBondContact O-N 2.86Å; T263-I306 HydrophobicContact CG2-CB 3.86Å; T263-I306 HydrophobicContact CG2-CD1 4.2Å; T263-I306 HydrophobicContact CG2-CG2 3.81Å
264	T	96.4	Very high	96.7	Very high	82 Å²	82	54.3 Å²	54.3	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.4	169.5	-62.8	0	0	0	0	108.3	Q241 Y242 V243	Q241-T264 HydrophobicContact CG-CG2 4.1Å; Y242-T264 CarbonylContact O-C 3.58Å; Y242-T264 VanDerWaalsContact O-CA 3.27Å; Y242-T264 WeakPolarHBondContact O-CA 3.19Å; V243-T264 HydrophobicContact CG2-CG2 4.28Å
265	R	95.3	Very high	96.8	Very high	51 Å²	51	50.7 Å²	50.7	19%	0.192	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	178.8	-55.7	-158	-170	-171.8	-10	110.3	Y242 F292 I306 W308	Y242-R265 PolarHBondContact N-O 3.35Å; Y242-R265 PolarHBondContact O-N 2.99Å; R265-F292 HydrophobicContact CB-CZ 4.44Å; R265-F292 HydrophobicContact CG-CE1 4.32Å; R265-I306 PolarHBondContact NH2-O 2.93Å; R265-W308 HydrophobicContact CB-CH2 4.11Å; R265-W308 HydrophobicContact CB-CZ2 3.93Å; R265-W308 VanDerWaalsContact CD-CZ2 3.49Å; R265-W308 HydrophobicContact CG-CZ2 4.35Å
266	V	96.4	Very high	96.9	Very high	47 Å²	47	49.5 Å²	49.5	29%	0.285	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.5	178.6	-176.8	0	0	0	0	108.9	V239 I240 Q241 Y268 T315	V239-V266 HydrophobicContact CG1-CG1 3.71Å; I240-V266 CarbonylContact O-C 3.56Å; I240-V266 VanDerWaalsContact O-CA 3.3Å; I240-V266 WeakPolarHBondContact O-CA 3.3Å; Q241-V266 HydrophobicContact CG-CG2 4.27Å; V266-Y268 HydrophobicContact CG1-CE1 3.94Å; V266-Y268 HydrophobicContact CG1-CE2 4.26Å; V266-T315 WeakPolarHBondContact O-CA 3.43Å
267	A	97.8	Very high	96.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	158.8	175.3	0	0	0	0	0	111.6	I240 H313 K314	I240-A267 HydrophobicContact CB-CB 4.44Å; I240-A267 PolarHBondContact N-O 2.85Å; I240-A267 PolarHBondContact O-N 2.96Å; A267-H313 HydrophobicContact CB-CB 3.85Å; A267-K314 CarbonylContact C-O 3.57Å; A267-K314 WeakPolarHBondContact CA-O 3.27Å
268	Y	98.1	Very high	96.9	Very high	47 Å²	47	46.9 Å²	46.9	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.8	-173.3	-52.6	-79.5	0	0	0	111.6	L227 T237 I238 V239 V266 K314 Y326	L227-Y268 HydrophobicContact CD2-CD1 4.18Å; L227-Y268 HydrophobicContact CD2-CE1 4.1Å; T237-Y268 HydrophobicContact CG2-CD1 3.9Å; T237-Y268 HydrophobicContact CG2-CG 4.46Å; I238-Y268 WeakPolarHBondContact O-CA 3.26Å; V239-Y268 HydrophobicContact CG1-CD1 4.44Å; V239-Y268 HydrophobicContact CG1-CE1 4.11Å; V239-Y268 HydrophobicContact CG2-CD1 4.12Å; V239-Y268 HydrophobicContact CG2-CE1 4.17Å; V266-Y268 HydrophobicContact CG1-CE1 3.94Å; V266-Y268 HydrophobicContact CG1-CE2 4.26Å; Y268-K314 VanDerWaalsContact CD2-O 3.26Å; Y268-K314 WeakPolarHBondContact CD2-O 3.07Å; Y268-K314 PolarHBondContact N-O 3.3Å; Y268-K314 WeakPolarHBondContact O-CB 3.3Å; Y268-Y326 PolarHBondContact O-OH 3Å
269	L	98.4	Very high	96.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.8	168.4	-60.8	176.8	0	0	0	109	I238 I240 V278 L279 F282 Y331 L332	I238-L269 HydrophobicContact CB-CB 4.2Å; I238-L269 HydrophobicContact CD1-CB 4.41Å; I238-L269 PolarHBondContact N-O 2.87Å; I238-L269 PolarHBondContact O-N 3.39Å; I240-L269 HydrophobicContact CD1-CD1 3.83Å; I240-L269 HydrophobicContact CD1-CG 4.15Å; L269-V278 HydrophobicContact CD1-CB 4.12Å; L269-V278 HydrophobicContact CD1-CG1 3.83Å; L269-V278 HydrophobicContact CD2-CG1 3.91Å; L269-L279 HydrophobicContact CD1-CB 4.01Å; L269-F282 HydrophobicContact CD1-CD2 4.01Å; L269-F282 HydrophobicContact CD1-CE2 4.08Å; L269-F282 HydrophobicContact CD2-CE2 4.06Å; L269-F282 HydrophobicContact CG-CE2 4.35Å; L269-Y331 HydrophobicContact CD2-CE1 3.6Å; L269-L332 HydrophobicContact CD2-CD2 4.23Å
270	P	97.9	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.1	168.4	28.6	-34.5	0	0	0	110.1	L229 Y232 C272 G275 Y326 L332	L229-P270 HydrophobicContact CD1-CB 4.2Å; Y232-P270 HydrophobicContact CD1-CB 3.48Å; Y232-P270 VanDerWaalsContact CD1-CB 3.48Å; Y232-P270 HydrophobicContact CD1-CG 3.7Å; Y232-P270 HydrophobicContact CD2-CB 4.06Å; Y232-P270 HydrophobicContact CD2-CG 4.18Å; Y232-P270 HydrophobicContact CE1-CB 4.08Å; Y232-P270 HydrophobicContact CE1-CG 3.74Å; Y232-P270 HydrophobicContact CE2-CG 4.23Å; Y232-P270 HydrophobicContact CG-CB 3.47Å; Y232-P270 VanDerWaalsContact CG-CB 3.47Å; Y232-P270 HydrophobicContact CG-CG 3.93Å; P270-C272 PolarHBondContact O-N 3.43Å; P270-G275 WeakPolarHBondContact O-CA 3.49Å; P270-Y326 WeakPolarHBondContact CD-OH 3.43Å; P270-L332 HydrophobicContact CG-CD1 3.97Å
271	D	97.8	Very high	97	Very high	42 Å²	42	38.5 Å²	38.5	23%	0.225	22%	0.219	C	C	.	.	S	Bend	trans	-80	56.9	173.6	-164	15.1	0	0	0	111.2	K223 Y235 G236 I238 N276	K223-D271 WeakPolarHBondContact CD-OD2 3.5Å; K223-D271 VanDerWaalsContact NZ-CG 3.3Å; K223-D271 IonicContact NZ-OD1 2.74Å; K223-D271 PolarHBondContact NZ-OD1 3.28Å; K223-D271 IonicContact NZ-OD2 3.62Å; K223-D271 PolarHBondContact NZ-OD2 2.83Å; K223-D271 VanDerWaalsContact NZ-OD2 3.08Å; Y235-D271 WeakPolarHBondContact CD1-O 3.01Å; G236-D271 WeakPolarHBondContact O-CB 3.17Å; G236-D271 PolarHBondContact O-N 2.86Å; I238-D271 HydrophobicContact CD1-CB 4.38Å; I238-D271 HydrophobicContact CG1-CB 3.91Å; D271-N276 PolarHBondContact OD1-ND2 3.37Å
272	C	96.4	Very high	97.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.047	20%	0.204	C	C	.	.	S	Bend	trans	-113.2	169.3	175.2	73.5	0	0	0	0	110	Y235 P270 E274 G275 N276	Y235-C272 HydrophobicContact CD1-CB 3.65Å; Y235-C272 HydrophobicContact CD2-CB 3.5Å; Y235-C272 HydrophobicContact CE1-CB 3.65Å; Y235-C272 HydrophobicContact CE2-CB 3.44Å; Y235-C272 VanDerWaalsContact CE2-CB 3.44Å; Y235-C272 HydrophobicContact CG-CB 3.6Å; P270-C272 PolarHBondContact O-N 3.43Å; C272-E274 VanDerWaalsContact C-N 3.29Å; C272-E274 PolarHBondContact O-N 2.92Å; C272-G275 PolarHBondContact O-N 2.85Å; C272-G275 PolarHBondContact SG-N 2.84Å; C272-N276 PolarHBondContact O-N 2.9Å; C272-N276 PolarHBondContact O-ND2 3.38Å
273	P	96.7	Very high	97.2	Very high	104 Å²	104	40.7 Å²	40.7	68%	0.675	21%	0.21	S	C	*	.	H	α-helix	trans	-53.3	-43.6	179.4	-29	36.5	0	0	0	113.7	N276 K277	P273-N276 PolarHBondContact O-N 2.84Å; P273-K277 PolarHBondContact O-N 2.82Å
274	E	96.3	Very high	97.3	Very high	74 Å²	74	41.6 Å²	41.6	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-69.7	-39.7	178.8	-167.9	-178.2	-176	0	0	112.5	C272 N276 K277 V278 L332 Q336	C272-E274 VanDerWaalsContact C-N 3.29Å; C272-E274 PolarHBondContact O-N 2.92Å; E274-N276 PolarHBondContact O-N 3.23Å; E274-K277 WeakPolarHBondContact O-CB 3.41Å; E274-K277 PolarHBondContact O-N 2.82Å; E274-V278 PolarHBondContact O-N 3.36Å; E274-L332 HydrophobicContact CB-CD1 3.93Å; E274-L332 HydrophobicContact CG-CB 3.96Å; E274-L332 HydrophobicContact CG-CD1 3.76Å; E274-L332 HydrophobicContact CG-CG 4.46Å; E274-L332 VanDerWaalsContact OE1-CB 3.26Å; E274-L332 WeakPolarHBondContact OE1-CB 3.3Å; E274-Q336 PolarHBondContact OE1-NE2 2.6Å
275	G	97.5	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-36.8	175.9	0	0	0	0	0	113	P270 C272 K277 V278 L279	P270-G275 WeakPolarHBondContact O-CA 3.49Å; C272-G275 PolarHBondContact O-N 2.85Å; C272-G275 PolarHBondContact SG-N 2.84Å; G275-K277 VanDerWaalsContact C-N 3.34Å; G275-V278 PolarHBondContact O-N 2.83Å; G275-L279 PolarHBondContact O-N 2.81Å
276	N	97.7	Very high	97.4	Very high	48 Å²	48	36.2 Å²	36.2	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-67.4	-34.6	173	-78.5	-89	0	0	0	111.8	K223 D271 C272 P273 E274 L279 T280	K223-N276 PolarHBondContact NZ-OD1 3.47Å; D271-N276 PolarHBondContact OD1-ND2 3.37Å; C272-N276 PolarHBondContact O-N 2.9Å; C272-N276 PolarHBondContact O-ND2 3.38Å; P273-N276 PolarHBondContact O-N 2.84Å; E274-N276 PolarHBondContact O-N 3.23Å; N276-L279 WeakPolarHBondContact O-CB 3.4Å; N276-L279 PolarHBondContact O-N 2.91Å; N276-T280 PolarHBondContact O-N 3.47Å; N276-T280 VanDerWaalsContact O-N 3.12Å; N276-T280 PolarHBondContact O-OG1 3.41Å
277	K	97.4	Very high	97.3	Very high	82 Å²	82	39.8 Å²	39.8	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-60.5	-49.1	170.9	-178.7	179.2	177.3	167	0	111.3	P273 E274 G275 L279 T280 L281 D346	P273-K277 PolarHBondContact O-N 2.82Å; E274-K277 WeakPolarHBondContact O-CB 3.41Å; E274-K277 PolarHBondContact O-N 2.82Å; G275-K277 VanDerWaalsContact C-N 3.34Å; K277-L279 VanDerWaalsContact C-N 3.3Å; K277-L279 PolarHBondContact O-N 3.47Å; K277-T280 WeakPolarHBondContact O-CB 3.44Å; K277-T280 PolarHBondContact O-N 2.81Å; K277-L281 PolarHBondContact O-N 2.81Å; K277-D346 WeakPolarHBondContact CE-OD1 3.34Å; K277-D346 WeakPolarHBondContact CE-OD2 3.49Å; K277-D346 IonicContact NZ-OD2 3.72Å; K277-D346 PolarHBondContact NZ-OD2 3.36Å
278	V	97.9	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-38.8	175.9	174	0	0	0	0	111.7	L269 E274 G275 T280 L281 F282 L332 V335 Q336	L269-V278 HydrophobicContact CD1-CB 4.12Å; L269-V278 HydrophobicContact CD1-CG1 3.83Å; L269-V278 HydrophobicContact CD2-CG1 3.91Å; E274-V278 PolarHBondContact O-N 3.36Å; G275-V278 PolarHBondContact O-N 2.83Å; V278-T280 VanDerWaalsContact C-N 3.34Å; V278-T280 PolarHBondContact O-N 2.93Å; V278-L281 PolarHBondContact O-N 3.45Å; V278-F282 HydrophobicContact CG1-CD1 4.13Å; V278-F282 HydrophobicContact CG1-CD2 4.28Å; V278-F282 HydrophobicContact CG1-CE1 3.89Å; V278-F282 HydrophobicContact CG1-CE2 4.03Å; V278-F282 HydrophobicContact CG1-CG 4.34Å; V278-F282 HydrophobicContact CG1-CZ 3.85Å; V278-F282 PolarHBondContact O-N 2.89Å; V278-L332 HydrophobicContact CB-CD2 4.44Å; V278-L332 HydrophobicContact CG2-CB 4.45Å; V278-L332 HydrophobicContact CG2-CD2 3.96Å; V278-V335 HydrophobicContact CG1-CG1 3.7Å; V278-V335 HydrophobicContact CG2-CG1 3.95Å; V278-Q336 HydrophobicContact CG2-CG 3.88Å
279	L	98.1	Very high	97.1	Very high	10 Å²	10	40 Å²	40	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-44.4	175.3	175.7	65.9	0	0	0	112.1	M219 V221 I238 I240 L269 G275 N276 K277 L281 F282 R283	M219-L279 HydrophobicContact CE-CD1 3.9Å; V221-L279 HydrophobicContact CG1-CD1 4.06Å; V221-L279 HydrophobicContact CG1-CD2 4.01Å; V221-L279 HydrophobicContact CG2-CD1 3.98Å; I238-L279 HydrophobicContact CD1-CD2 4.21Å; I238-L279 HydrophobicContact CG2-CD1 4.2Å; I238-L279 HydrophobicContact CG2-CD2 4.09Å; I240-L279 HydrophobicContact CD1-CD1 3.66Å; I240-L279 HydrophobicContact CG1-CD1 4.07Å; L269-L279 HydrophobicContact CD1-CB 4.01Å; G275-L279 PolarHBondContact O-N 2.81Å; N276-L279 WeakPolarHBondContact O-CB 3.4Å; N276-L279 PolarHBondContact O-N 2.91Å; K277-L279 VanDerWaalsContact C-N 3.3Å; K277-L279 PolarHBondContact O-N 3.47Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 2.96Å; L279-F282 PolarHBondContact O-N 3.24Å; L279-R283 PolarHBondContact O-N 3.1Å
280	T	97.7	Very high	97	Very high	89 Å²	89	40.1 Å²	40.1	55%	0.546	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-44	176.9	-60.7	0	0	0	0	111.1	N276 K277 V278 R283 K284	N276-T280 PolarHBondContact O-N 3.47Å; N276-T280 VanDerWaalsContact O-N 3.12Å; N276-T280 PolarHBondContact O-OG1 3.41Å; K277-T280 WeakPolarHBondContact O-CB 3.44Å; K277-T280 PolarHBondContact O-N 2.81Å; V278-T280 VanDerWaalsContact C-N 3.34Å; V278-T280 PolarHBondContact O-N 2.93Å; T280-R283 PolarHBondContact O-N 2.93Å; T280-K284 PolarHBondContact O-N 2.79Å
281	L	97.5	Very high	97	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-37.6	176.6	-61.1	171.1	0	0	0	112.3	K277 V278 L279 K284 A285 Q336 L339 I344 D346	K277-L281 PolarHBondContact O-N 2.81Å; V278-L281 PolarHBondContact O-N 3.45Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 2.96Å; L281-K284 PolarHBondContact O-N 3.31Å; L281-A285 WeakPolarHBondContact O-CB 3.37Å; L281-A285 PolarHBondContact O-N 2.75Å; L281-Q336 HydrophobicContact CD1-CG 3.98Å; L281-L339 HydrophobicContact CB-CD1 3.71Å; L281-L339 HydrophobicContact CD1-CD1 4.15Å; L281-I344 HydrophobicContact CB-CG2 4.09Å; L281-I344 HydrophobicContact CD2-CG2 4Å; L281-I344 WeakPolarHBondContact O-CG2 3.36Å; L281-D346 WeakPolarHBondContact CD2-OD1 3.49Å
282	F	98.1	Very high	97	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-38.9	173.8	-80.5	-0.7	0	0	0	112.8	M219 I240 L269 V278 L279 A285 F286 I311 H313 V335 L339	M219-F282 HydrophobicContact CE-CB 4.06Å; I240-F282 HydrophobicContact CD1-CD2 3.75Å; I240-F282 HydrophobicContact CD1-CE2 4.34Å; L269-F282 HydrophobicContact CD1-CD2 4.01Å; L269-F282 HydrophobicContact CD1-CE2 4.08Å; L269-F282 HydrophobicContact CD2-CE2 4.06Å; L269-F282 HydrophobicContact CG-CE2 4.35Å; V278-F282 HydrophobicContact CG1-CD1 4.13Å; V278-F282 HydrophobicContact CG1-CD2 4.28Å; V278-F282 HydrophobicContact CG1-CE1 3.89Å; V278-F282 HydrophobicContact CG1-CE2 4.03Å; V278-F282 HydrophobicContact CG1-CG 4.34Å; V278-F282 HydrophobicContact CG1-CZ 3.85Å; V278-F282 PolarHBondContact O-N 2.89Å; L279-F282 PolarHBondContact O-N 3.24Å; F282-A285 PolarHBondContact O-N 2.74Å; F282-F286 WeakPolarHBondContact O-CB 3.42Å; F282-F286 PolarHBondContact O-N 3.49Å; F282-I311 HydrophobicContact CD1-CG2 4.21Å; F282-I311 HydrophobicContact CE1-CG2 3.57Å; F282-I311 HydrophobicContact CZ-CG2 4.32Å; F282-H313 AromaticContact CD2-NE2 3.6Å; F282-H313 AromaticContact CE1-CE1 3.98Å; F282-H313 AromaticContact CE2-CD2 3.53Å; F282-H313 AromaticContact CE2-NE2 3.39Å; F282-H313 WeakPolarHBondContact CE2-NE2 3.39Å; F282-H313 AromaticContact CZ-CD2 3.9Å; F282-H313 AromaticContact CZ-CE1 3.77Å; F282-H313 AromaticContact CZ-NE2 3.63Å; F282-V335 HydrophobicContact CE1-CG2 3.56Å; F282-V335 HydrophobicContact CZ-CG2 3.75Å; F282-L339 HydrophobicContact CD1-CD1 3.82Å; F282-L339 HydrophobicContact CD1-CD2 4.15Å; F282-L339 HydrophobicContact CE1-CD1 3.84Å; F282-L339 HydrophobicContact CE1-CD2 4.47Å; F282-L339 HydrophobicContact CE1-CG 4.49Å
283	R	97.4	Very high	97	Very high	126 Å²	126	39.1 Å²	39.1	48%	0.475	20%	0.196	S	C	.	.	H	α-helix	trans	-61.1	-49.7	172.3	-72.3	179.6	177.5	-175	-0.7	110.5	M219 L279 T280 A285 F286 D287	M219-R283 HydrophobicContact CE-CG 3.8Å; M219-R283 HydrophobicContact SD-CG 4.01Å; L279-R283 PolarHBondContact O-N 3.1Å; T280-R283 PolarHBondContact O-N 2.93Å; R283-A285 VanDerWaalsContact C-N 3.32Å; R283-A285 PolarHBondContact O-N 3.12Å; R283-F286 WeakPolarHBondContact O-CB 3.4Å; R283-F286 PolarHBondContact O-N 3.19Å; R283-D287 VanDerWaalsContact O-CG 3.25Å; R283-D287 PolarHBondContact O-N 3.1Å
284	K	96	Very high	97	Very high	57 Å²	57	34.3 Å²	34.3	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-42.6	177.4	-168.7	172.4	178.1	169.1	0	112.2	T280 L281 Q288 I344 T345 D347	T280-K284 PolarHBondContact O-N 2.79Å; L281-K284 PolarHBondContact O-N 3.31Å; K284-Q288 WeakPolarHBondContact O-CB 3.37Å; K284-Q288 VanDerWaalsContact O-CG 3.28Å; K284-Q288 WeakPolarHBondContact O-CG 3.47Å; K284-Q288 PolarHBondContact O-N 3.33Å; K284-I344 HydrophobicContact CB-CG2 4.11Å; K284-I344 HydrophobicContact CD-CG2 4.21Å; K284-I344 HydrophobicContact CG-CD1 4.23Å; K284-I344 HydrophobicContact CG-CG2 4.22Å; K284-T345 PolarHBondContact NZ-O 2.79Å; K284-D347 PolarHBondContact NZ-OXT 2.9Å
285	A	96.9	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-39	174.9	0	0	0	0	0	112.6	L281 F282 R283 Q288 R289 L290 I311 L339 I344	L281-A285 WeakPolarHBondContact O-CB 3.37Å; L281-A285 PolarHBondContact O-N 2.75Å; F282-A285 PolarHBondContact O-N 2.74Å; R283-A285 VanDerWaalsContact C-N 3.32Å; R283-A285 PolarHBondContact O-N 3.12Å; A285-Q288 CarbonylContact O-C 3.37Å; A285-R289 PolarHBondContact O-N 3.17Å; A285-L290 WeakPolarHBondContact O-CB 3.21Å; A285-L290 PolarHBondContact O-N 2.91Å; A285-I311 HydrophobicContact CB-CD1 3.86Å; A285-L339 HydrophobicContact CB-CD2 3.76Å; A285-I344 HydrophobicContact CB-CG1 4.06Å
286	F	97.4	Very high	96.7	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-44.9	178.3	-173.9	-92.5	0	0	0	111.8	Q213 M219 Y242 F244 F282 R283 Q288 R289 T291	Q213-F286 PolarHBondContact NE2-O 2.79Å; M219-F286 HydrophobicContact CB-CD1 3.83Å; M219-F286 HydrophobicContact CB-CD2 4.14Å; M219-F286 HydrophobicContact CB-CE1 3.83Å; M219-F286 HydrophobicContact CB-CE2 4.12Å; M219-F286 HydrophobicContact CB-CG 3.98Å; M219-F286 HydrophobicContact CB-CZ 3.98Å; M219-F286 HydrophobicContact SD-CB 3.91Å; M219-F286 HydrophobicContact SD-CG 4.09Å; Y242-F286 AromaticContact CD1-CD2 3.67Å; Y242-F286 HydrophobicContact CD1-CD2 3.67Å; Y242-F286 AromaticContact CD1-CE2 3.58Å; Y242-F286 HydrophobicContact CD1-CE2 3.58Å; Y242-F286 AromaticContact CE1-CD2 3.53Å; Y242-F286 HydrophobicContact CE1-CD2 3.53Å; Y242-F286 AromaticContact CE1-CE2 3.96Å; Y242-F286 HydrophobicContact CE1-CE2 3.96Å; Y242-F286 HydrophobicContact CE1-CG 4.28Å; F244-F286 HydrophobicContact CE2-CE2 4.28Å; F244-F286 AromaticContact CZ-CE2 3.79Å; F244-F286 HydrophobicContact CZ-CE2 3.79Å; F244-F286 HydrophobicContact CZ-CZ 4.28Å; F282-F286 WeakPolarHBondContact O-CB 3.42Å; F282-F286 PolarHBondContact O-N 3.49Å; R283-F286 WeakPolarHBondContact O-CB 3.4Å; R283-F286 PolarHBondContact O-N 3.19Å; F286-Q288 VanDerWaalsContact C-N 3.27Å; F286-Q288 PolarHBondContact O-N 2.99Å; F286-R289 WeakPolarHBondContact O-CA 3.5Å; F286-R289 PolarHBondContact O-N 2.97Å; F286-T291 WeakPolarHBondContact CA-OG1 3.21Å; F286-T291 PolarHBondContact N-OG1 3.41Å
287	D	95.6	Very high	96.4	Very high	123 Å²	123	33.5 Å²	33.5	66%	0.658	17%	0.171	S	C	*	.	H	α-helix	trans	-63.4	-36.1	177.3	-64	-21.7	0	0	0	111.3	R283 R289	R283-D287 VanDerWaalsContact O-CG 3.25Å; R283-D287 PolarHBondContact O-N 3.1Å; D287-R289 PolarHBondContact O-N 3.37Å
288	Q	94.6	Very high	95.9	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.056	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	7.7	172.4	-68.8	-176	32.7	0	0	113.8	Q208 L209 V210 G211 K284 A285 F286 L290 I344	Q208-Q288 VanDerWaalsContact CG-CD 3.42Å; Q208-Q288 HydrophobicContact CG-CG 3.83Å; L209-Q288 PolarHBondContact O-OE1 3.21Å; V210-Q288 CarbonylContact C-O 3.58Å; V210-Q288 VanDerWaalsContact CA-O 3.31Å; V210-Q288 WeakPolarHBondContact CA-O 3.44Å; G211-Q288 PolarHBondContact N-O 3.05Å; K284-Q288 WeakPolarHBondContact O-CB 3.37Å; K284-Q288 VanDerWaalsContact O-CG 3.28Å; K284-Q288 WeakPolarHBondContact O-CG 3.47Å; K284-Q288 PolarHBondContact O-N 3.33Å; A285-Q288 CarbonylContact O-C 3.37Å; F286-Q288 VanDerWaalsContact C-N 3.27Å; F286-Q288 PolarHBondContact O-N 2.99Å; Q288-L290 HydrophobicContact CB-CD1 3.96Å; Q288-L290 HydrophobicContact CB-CG 4.21Å; Q288-L290 PolarHBondContact O-N 3.21Å; Q288-I344 HydrophobicContact CB-CD1 4.37Å; Q288-I344 VanDerWaalsContact CD-CD1 3.42Å; Q288-I344 HydrophobicContact CG-CD1 4.36Å
289	R	96.6	Very high	95	Very high	39 Å²	39	41.3 Å²	41.3	15%	0.147	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	27.3	176.3	-56.6	176.7	65.5	-165.9	-1.1	114.2	V210 G211 Q213 E252 A285 F286 D287	V210-R289 HydrophobicContact CG1-CB 4.24Å; V210-R289 HydrophobicContact CG1-CG 4.29Å; G211-R289 CarbonylContact C-O 3.53Å; G211-R289 WeakPolarHBondContact CA-O 3.44Å; G211-R289 WeakPolarHBondContact O-CB 3.43Å; G211-R289 PolarHBondContact O-NE 2.85Å; Q213-R289 HydrophobicContact CB-CB 3.79Å; Q213-R289 VanDerWaalsContact CB-O 3.24Å; Q213-R289 WeakPolarHBondContact CB-O 3.43Å; Q213-R289 PolarHBondContact N-O 3.39Å; Q213-R289 PolarHBondContact O-NE 2.9Å; Q213-R289 PolarHBondContact O-NH2 2.8Å; E252-R289 IonicContact OE1-CZ 2.61Å; E252-R289 IonicContact OE1-NH1 2.65Å; E252-R289 PolarHBondContact OE1-NH1 3.05Å; E252-R289 VanDerWaalsContact OE1-NH1 3.15Å; E252-R289 IonicContact OE1-NH2 2.76Å; E252-R289 PolarHBondContact OE1-NH2 3.04Å; A285-R289 PolarHBondContact O-N 3.17Å; F286-R289 WeakPolarHBondContact O-CA 3.5Å; F286-R289 PolarHBondContact O-N 2.97Å; D287-R289 PolarHBondContact O-N 3.37Å
290	L	96	Very high	94.5	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.242	C	C	.	.			trans	-102.4	-12.2	-174.1	-68.9	169.9	0	0	0	114.7	L209 A285 Q288 N309 K342 I344	L209-L290 HydrophobicContact CB-CD1 4.35Å; L209-L290 HydrophobicContact CD2-CD1 4.3Å; L209-L290 HydrophobicContact CD2-CD2 3.82Å; L209-L290 HydrophobicContact CG-CD1 4.44Å; L209-L290 HydrophobicContact CG-CD2 3.97Å; A285-L290 WeakPolarHBondContact O-CB 3.21Å; A285-L290 PolarHBondContact O-N 2.91Å; Q288-L290 HydrophobicContact CB-CD1 3.96Å; Q288-L290 HydrophobicContact CB-CG 4.21Å; Q288-L290 PolarHBondContact O-N 3.21Å; L290-N309 WeakPolarHBondContact O-CB 3.23Å; L290-N309 PolarHBondContact O-ND2 3.26Å; L290-K342 HydrophobicContact CD1-CB 4.45Å; L290-I344 HydrophobicContact CD1-CD1 3.82Å; L290-I344 HydrophobicContact CD1-CG1 4.04Å
291	T	97.5	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-71.4	-38.4	-178.8	-53.5	0	0	0	0	112.2	Y242 F286 W308 N309	Y242-T291 HydrophobicContact CE1-CG2 4.25Å; F286-T291 WeakPolarHBondContact CA-OG1 3.21Å; F286-T291 PolarHBondContact N-OG1 3.41Å; T291-W308 HydrophobicContact CG2-CE3 4.33Å; T291-W308 HydrophobicContact CG2-CZ3 4.01Å; T291-N309 PolarHBondContact O-N 2.98Å
292	F	97.8	Very high	93.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	168.5	180	-66.5	-89	0	0	0	112	Q213 Y242 F244 R265 I306 T307 W308	Q213-F292 HydrophobicContact CB-CB 4.21Å; Q213-F292 WeakPolarHBondContact CB-O 3.25Å; Q213-F292 HydrophobicContact CG-CB 3.93Å; Q213-F292 VanDerWaalsContact OE1-N 3.11Å; Y242-F292 AromaticContact CD1-CE2 3.69Å; Y242-F292 HydrophobicContact CD1-CE2 3.69Å; Y242-F292 HydrophobicContact CD1-CZ 4.4Å; Y242-F292 AromaticContact CD2-CE2 3.91Å; Y242-F292 HydrophobicContact CD2-CE2 3.91Å; Y242-F292 AromaticContact CD2-CZ 3.86Å; Y242-F292 HydrophobicContact CD2-CZ 3.86Å; Y242-F292 HydrophobicContact CE1-CE2 4.22Å; Y242-F292 HydrophobicContact CE2-CE2 4.43Å; Y242-F292 AromaticContact CG-CE2 3.49Å; Y242-F292 HydrophobicContact CG-CE2 3.49Å; Y242-F292 VanDerWaalsContact CG-CE2 3.49Å; Y242-F292 AromaticContact CG-CZ 3.74Å; Y242-F292 HydrophobicContact CG-CZ 3.74Å; F244-F292 HydrophobicContact CE2-CD1 4.36Å; F244-F292 AromaticContact CE2-CD2 3.5Å; F244-F292 HydrophobicContact CE2-CD2 3.5Å; F244-F292 HydrophobicContact CE2-CE1 4.46Å; F244-F292 AromaticContact CE2-CE2 3.65Å; F244-F292 HydrophobicContact CE2-CE2 3.65Å; F244-F292 AromaticContact CE2-CG 3.89Å; F244-F292 HydrophobicContact CE2-CG 3.89Å; F244-F292 HydrophobicContact CE2-CZ 4.14Å; F244-F292 HydrophobicContact CZ-CB 4.23Å; F244-F292 AromaticContact CZ-CD2 3.59Å; F244-F292 HydrophobicContact CZ-CD2 3.59Å; F244-F292 HydrophobicContact CZ-CE2 4.16Å; F244-F292 AromaticContact CZ-CG 3.98Å; F244-F292 HydrophobicContact CZ-CG 3.98Å; R265-F292 HydrophobicContact CB-CZ 4.44Å; R265-F292 HydrophobicContact CG-CE1 4.32Å; F292-I306 HydrophobicContact CB-CG2 3.98Å; F292-I306 HydrophobicContact CD1-CG2 3.69Å; F292-I306 HydrophobicContact CG-CG2 4.07Å; F292-T307 CarbonylContact C-O 3.46Å; F292-T307 VanDerWaalsContact CA-O 3.26Å; F292-T307 WeakPolarHBondContact CA-O 3.32Å; F292-T307 WeakPolarHBondContact CD1-O 3.38Å; F292-W308 HydrophobicContact CD1-CE3 4.15Å; F292-W308 AromaticContact CE1-CD2 3.99Å; F292-W308 HydrophobicContact CE1-CD2 3.99Å; F292-W308 AromaticContact CE1-CE3 3.55Å; F292-W308 HydrophobicContact CE1-CE3 3.55Å; F292-W308 HydrophobicContact CE1-CH2 4.1Å; F292-W308 HydrophobicContact CE1-CZ2 4.49Å; F292-W308 AromaticContact CE1-CZ3 3.63Å; F292-W308 HydrophobicContact CE1-CZ3 3.63Å; F292-W308 HydrophobicContact CE2-CE3 4.27Å; F292-W308 AromaticContact CE2-CZ3 3.81Å; F292-W308 HydrophobicContact CE2-CZ3 3.81Å; F292-W308 HydrophobicContact CZ-CD2 4.41Å; F292-W308 AromaticContact CZ-CE3 3.63Å; F292-W308 HydrophobicContact CZ-CE3 3.63Å; F292-W308 AromaticContact CZ-CH2 3.63Å; F292-W308 HydrophobicContact CZ-CH2 3.63Å; F292-W308 HydrophobicContact CZ-CZ2 4.4Å; F292-W308 AromaticContact CZ-CZ3 3.19Å; F292-W308 HydrophobicContact CZ-CZ3 3.19Å
293	T	97.1	Very high	93.8	Very high	27 Å²	27	53.8 Å²	53.8	17%	0.166	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.6	172.3	-175.7	0	0	0	0	109.5	N212 I306 T307 N309	N212-T293 PolarHBondContact ND2-OG1 2.86Å; N212-T293 WeakPolarHBondContact OD1-CA 3.48Å; N212-T293 VanDerWaalsContact OD1-CB 3.26Å; N212-T293 WeakPolarHBondContact OD1-CB 3.47Å; N212-T293 PolarHBondContact OD1-OG1 3.38Å; T293-I306 WeakPolarHBondContact O-CA 3.39Å; T293-T307 HydrophobicContact CG2-CG2 3.57Å; T293-T307 PolarHBondContact N-O 3.26Å; T293-T307 PolarHBondContact O-N 3.18Å; T293-N309 HydrophobicContact CG2-CB 3.99Å
294	I	96.9	Very high	93.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.2	163.2	-63.3	-172.2	0	0	0	108.6	P214 Q249 P254 Y260 V305 I306	P214-I294 HydrophobicContact CG-CD1 3.83Å; P214-I294 HydrophobicContact CG-CG1 3.9Å; Q249-I294 HydrophobicContact CG-CD1 3.79Å; Q249-I294 HydrophobicContact CG-CG2 4.13Å; P254-I294 WeakPolarHBondContact CD-O 3.09Å; P254-I294 WeakPolarHBondContact CG-O 3.2Å; Y260-I294 HydrophobicContact CD1-CD1 3.23Å; Y260-I294 HydrophobicContact CD2-CD1 4.38Å; Y260-I294 HydrophobicContact CE1-CD1 3.49Å; Y260-I294 VanDerWaalsContact CE1-CD1 3.49Å; Y260-I294 HydrophobicContact CG-CD1 3.72Å; I294-V305 WeakPolarHBondContact CA-O 3.24Å; I294-I306 HydrophobicContact CG1-CG1 4.43Å
295	G	94.2	Very high	93.7	Very high	16 Å²	16	47.6 Å²	47.6	17%	0.165	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	-145.6	178.2	0	0	0	0	0	112.3	P303 N304 V305	G295-P303 CarbonylContact O-C 3.58Å; G295-N304 PolarHBondContact O-N 2.85Å; G295-V305 PolarHBondContact N-O 3.3Å; G295-V305 PolarHBondContact O-N 2.92Å; G295-V305 VanDerWaalsContact O-N 3.1Å
296	T	93.4	Very high	93.7	Very high	80 Å²	80	47.9 Å²	47.9	49%	0.491	27%	0.269	S	S	.	.			trans	-98	127.1	177.8	-57.8	0	0	0	0	109.9	M298 G301 R302	T296-M298 PolarHBondContact O-N 2.86Å; T296-G301 WeakPolarHBondContact CG2-O 3.35Å; T296-R302 WeakPolarHBondContact CA-O 3.49Å
297	S	90.4	Very high	93.7	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.07	27%	0.27	C	S	.	.			trans	-66.9	121.2	175.2	169.5	0	0	0	0	110.7	T299 T300 G301 R302	S297-T299 PolarHBondContact O-N 3.27Å; S297-T299 PolarHBondContact OG-OG1 3.41Å; S297-T300 WeakPolarHBondContact CB-OG1 3.45Å; S297-T300 PolarHBondContact O-N 2.91Å; S297-T300 PolarHBondContact OG-N 2.8Å; S297-T300 PolarHBondContact OG-OG1 2.82Å; S297-G301 WeakPolarHBondContact O-CA 3.43Å; S297-G301 PolarHBondContact O-N 2.86Å; S297-R302 PolarHBondContact N-O 2.86Å
298	M	86.4	Confident	93.7	Very high	163 Å²	163	44.8 Å²	44.8	80%	0.803	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.7	177.9	-67.5	-61.9	-69.6	0	0	113.3	T296	T296-M298 PolarHBondContact O-N 2.86Å
299	T	80.4	Confident	93.7	Very high	83 Å²	83	45.6 Å²	45.6	51%	0.509	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-23.8	-176	53.6	0	0	0	0	113.8	M8 S297	M8-T299 HydrophobicContact CE-CG2 4.45Å; S297-T299 PolarHBondContact O-N 3.27Å; S297-T299 PolarHBondContact OG-OG1 3.41Å
300	T	86.7	Confident	93.4	Very high	96 Å²	96	49.4 Å²	49.4	59%	0.589	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-7.2	-172.9	61.5	0	0	0	0	113.9	S297 R302	S297-T300 WeakPolarHBondContact CB-OG1 3.45Å; S297-T300 PolarHBondContact O-N 2.91Å; S297-T300 PolarHBondContact OG-N 2.8Å; S297-T300 PolarHBondContact OG-OG1 2.82Å; T300-R302 PolarHBondContact O-N 3.17Å
301	G	91.1	Very high	93.4	Very high	52 Å²	52	49.2 Å²	49.2	54%	0.536	28%	0.277	S	S	.	.			trans	65.3	2.2	-173.9	0	0	0	0	0	114.4	T296 S297 P303	T296-G301 WeakPolarHBondContact CG2-O 3.35Å; S297-G301 WeakPolarHBondContact O-CA 3.43Å; S297-G301 PolarHBondContact O-N 2.86Å; G301-P303 WeakPolarHBondContact O-CD 3.47Å
302	R	91.2	Very high	93.3	Very high	149 Å²	149	53.3 Å²	53.3	56%	0.562	30%	0.296	S	S	*	.			trans	-73.2	122.9	-174.8	-172.8	175.7	175.1	174.5	2.9	110.3	T296 S297 T300 V305	T296-R302 WeakPolarHBondContact CA-O 3.49Å; S297-R302 PolarHBondContact N-O 2.86Å; T300-R302 PolarHBondContact O-N 3.17Å; R302-V305 HydrophobicContact CB-CG1 4.38Å; R302-V305 HydrophobicContact CG-CG1 3.81Å; R302-V305 VanDerWaalsContact O-CG2 3.32Å; R302-V305 WeakPolarHBondContact O-CG2 3.15Å
303	P	95.7	Very high	93.3	Very high	70 Å²	70	53.6 Å²	53.6	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-79.6	170	174.2	34.4	-36.1	0	0	0	111.5	G295 G301 V305	G295-P303 CarbonylContact O-C 3.58Å; G301-P303 WeakPolarHBondContact O-CD 3.47Å; P303-V305 VanDerWaalsContact C-N 3.33Å; P303-V305 PolarHBondContact O-N 3.12Å
304	N	96	Very high	93.3	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	29%	0.29	C	S	.	.	S	Bend	trans	58.6	40.9	175.3	-57.1	-54.8	0	0	0	113.3	Q249 N255 V258 Y260 P261 G295	Q249-N304 PolarHBondContact NE2-OD1 2.66Å; N255-N304 PolarHBondContact ND2-OD1 2.83Å; V258-N304 HydrophobicContact CG1-CB 4.41Å; Y260-N304 WeakPolarHBondContact CA-O 3.4Å; Y260-N304 VanDerWaalsContact CB-O 3.23Å; Y260-N304 WeakPolarHBondContact CB-O 3.15Å; P261-N304 WeakPolarHBondContact CD-O 3.34Å; G295-N304 PolarHBondContact O-N 2.85Å
305	V	96.9	Very high	93.2	Very high	15 Å²	15	54.2 Å²	54.2	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.7	178.2	-60.6	0	0	0	0	111.7	P261 I294 G295 R302 P303 T307	P261-V305 HydrophobicContact CG-CB 4.49Å; P261-V305 HydrophobicContact CG-CG1 3.8Å; I294-V305 WeakPolarHBondContact CA-O 3.24Å; G295-V305 PolarHBondContact N-O 3.3Å; G295-V305 PolarHBondContact O-N 2.92Å; G295-V305 VanDerWaalsContact O-N 3.1Å; R302-V305 HydrophobicContact CB-CG1 4.38Å; R302-V305 HydrophobicContact CG-CG1 3.81Å; R302-V305 VanDerWaalsContact O-CG2 3.32Å; R302-V305 WeakPolarHBondContact O-CG2 3.15Å; P303-V305 VanDerWaalsContact C-N 3.33Å; P303-V305 PolarHBondContact O-N 3.12Å; V305-T307 PolarHBondContact O-N 3.28Å
306	I	96.6	Very high	93.2	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.1	173.2	-59.3	166.6	0	0	0	109	P214 F244 Y260 T263 R265 F292 T293 I294	P214-I306 HydrophobicContact CG-CD1 4.21Å; P214-I306 HydrophobicContact CG-CG1 4.15Å; F244-I306 HydrophobicContact CB-CD1 3.39Å; F244-I306 HydrophobicContact CD1-CD1 3.99Å; F244-I306 HydrophobicContact CD2-CG2 4.35Å; F244-I306 HydrophobicContact CG-CD1 3.75Å; F244-I306 HydrophobicContact CG-CG2 4.48Å; Y260-I306 HydrophobicContact CD2-CD1 3.79Å; Y260-I306 HydrophobicContact CD2-CG1 3.99Å; Y260-I306 HydrophobicContact CE2-CD1 3.82Å; Y260-I306 HydrophobicContact CE2-CG1 4.35Å; T263-I306 HydrophobicContact CG2-CB 3.86Å; T263-I306 HydrophobicContact CG2-CD1 4.2Å; T263-I306 HydrophobicContact CG2-CG2 3.81Å; R265-I306 PolarHBondContact NH2-O 2.93Å; F292-I306 HydrophobicContact CB-CG2 3.98Å; F292-I306 HydrophobicContact CD1-CG2 3.69Å; F292-I306 HydrophobicContact CG-CG2 4.07Å; T293-I306 WeakPolarHBondContact O-CA 3.39Å; I294-I306 HydrophobicContact CG1-CG1 4.43Å
307	T	95.9	Very high	93.2	Very high	17 Å²	17	50.8 Å²	50.8	10%	0.104	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	162.6	178.7	-170.6	0	0	0	0	111.9	F292 T293 V305	F292-T307 CarbonylContact C-O 3.46Å; F292-T307 VanDerWaalsContact CA-O 3.26Å; F292-T307 WeakPolarHBondContact CA-O 3.32Å; F292-T307 WeakPolarHBondContact CD1-O 3.38Å; T293-T307 HydrophobicContact CG2-CG2 3.57Å; T293-T307 PolarHBondContact N-O 3.26Å; T293-T307 PolarHBondContact O-N 3.18Å; V305-T307 PolarHBondContact O-N 3.28Å
308	W	95.7	Very high	93.3	Very high	61 Å²	61	54.2 Å²	54.2	23%	0.231	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	145.6	172.1	-65.7	123.3	0	0	0	108.9	Y242 R265 T291 F292 H313 T315	Y242-W308 AromaticContact CD2-CH2 3.98Å; Y242-W308 HydrophobicContact CD2-CH2 3.98Å; Y242-W308 HydrophobicContact CD2-CZ3 4.25Å; Y242-W308 HydrophobicContact CE2-CH2 4.11Å; Y242-W308 HydrophobicContact CE2-CZ3 4.18Å; R265-W308 HydrophobicContact CB-CH2 4.11Å; R265-W308 HydrophobicContact CB-CZ2 3.93Å; R265-W308 VanDerWaalsContact CD-CZ2 3.49Å; R265-W308 HydrophobicContact CG-CZ2 4.35Å; T291-W308 HydrophobicContact CG2-CE3 4.33Å; T291-W308 HydrophobicContact CG2-CZ3 4.01Å; F292-W308 HydrophobicContact CD1-CE3 4.15Å; F292-W308 AromaticContact CE1-CD2 3.99Å; F292-W308 HydrophobicContact CE1-CD2 3.99Å; F292-W308 AromaticContact CE1-CE3 3.55Å; F292-W308 HydrophobicContact CE1-CE3 3.55Å; F292-W308 HydrophobicContact CE1-CH2 4.1Å; F292-W308 HydrophobicContact CE1-CZ2 4.49Å; F292-W308 AromaticContact CE1-CZ3 3.63Å; F292-W308 HydrophobicContact CE1-CZ3 3.63Å; F292-W308 HydrophobicContact CE2-CE3 4.27Å; F292-W308 AromaticContact CE2-CZ3 3.81Å; F292-W308 HydrophobicContact CE2-CZ3 3.81Å; F292-W308 HydrophobicContact CZ-CD2 4.41Å; F292-W308 AromaticContact CZ-CE3 3.63Å; F292-W308 HydrophobicContact CZ-CE3 3.63Å; F292-W308 AromaticContact CZ-CH2 3.63Å; F292-W308 HydrophobicContact CZ-CH2 3.63Å; F292-W308 HydrophobicContact CZ-CZ2 4.4Å; F292-W308 AromaticContact CZ-CZ3 3.19Å; F292-W308 HydrophobicContact CZ-CZ3 3.19Å; W308-H313 AromaticContact CE3-ND1 3.79Å; W308-H313 HydrophobicContact CH2-CB 3.73Å; W308-H313 AromaticContact CH2-CD2 3.88Å; W308-H313 AromaticContact CH2-CG 3.58Å; W308-H313 HydrophobicContact CZ2-CB 3.95Å; W308-H313 HydrophobicContact CZ3-CB 4.09Å; W308-H313 AromaticContact CZ3-CD2 3.85Å; W308-H313 AromaticContact CZ3-CE1 3.74Å; W308-H313 AromaticContact CZ3-CG 3.52Å; W308-H313 AromaticContact CZ3-ND1 3.44Å; W308-H313 WeakPolarHBondContact CZ3-ND1 3.31Å; W308-H313 AromaticContact CZ3-NE2 3.96Å; W308-T315 HydrophobicContact CZ2-CG2 3.96Å
309	N	95	Very high	93.4	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.15	27%	0.272	C	S	.	.			trans	-114.7	73.1	178.6	-178.8	12.1	0	0	0	108.6	L290 T291 T293 I311 K342	L290-N309 WeakPolarHBondContact O-CB 3.23Å; L290-N309 PolarHBondContact O-ND2 3.26Å; T291-N309 PolarHBondContact O-N 2.98Å; T293-N309 HydrophobicContact CG2-CB 3.99Å; N309-I311 PolarHBondContact O-N 3.46Å; N309-K342 WeakPolarHBondContact O-CE 3.15Å; N309-K342 PolarHBondContact O-NZ 3.28Å; N309-K342 PolarHBondContact OD1-NZ 3.15Å
310	D	91.3	Very high	94	Very high	119 Å²	119	44.1 Å²	44.1	64%	0.636	25%	0.251	S	S	*	.	S	Bend	trans	47.4	32.3	173.2	-47.1	-42	0	0	0	116.9	K342	D310-K342 WeakPolarHBondContact O-CE 3.42Å
311	I	95	Very high	94.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	25%	0.245	C	C	.	.			trans	-119.4	106.3	166.2	-62	168.1	0	0	0	105.9	F282 A285 N309 H313 V335 L339 K342	F282-I311 HydrophobicContact CD1-CG2 4.21Å; F282-I311 HydrophobicContact CE1-CG2 3.57Å; F282-I311 HydrophobicContact CZ-CG2 4.32Å; A285-I311 HydrophobicContact CB-CD1 3.86Å; N309-I311 PolarHBondContact O-N 3.46Å; I311-H313 PolarHBondContact O-N 2.78Å; I311-H313 PolarHBondContact O-ND1 3.48Å; I311-V335 HydrophobicContact CG2-CG2 4.08Å; I311-L339 HydrophobicContact CD1-CD2 3.75Å; I311-L339 HydrophobicContact CG1-CD2 4.25Å; I311-L339 HydrophobicContact CG2-CD2 3.99Å; I311-L339 HydrophobicContact CG2-CG 4.24Å; I311-K342 HydrophobicContact CD1-CD 3.71Å; I311-K342 HydrophobicContact CG1-CD 3.52Å
312	H	95.3	Very high	94	Very high	86 Å²	86	45 Å²	45	40%	0.398	24%	0.241	S	C	.	.			trans	-68.8	130.7	-174.8	-72.7	93.1	0	0	0	111	Y331 V335 E338	H312-Y331 WeakPolarHBondContact O-CE2 3.33Å; H312-Y331 PolarHBondContact O-OH 3.44Å; H312-V335 WeakPolarHBondContact O-CG2 3.44Å; H312-E338 WeakPolarHBondContact CB-OE2 3.4Å; H312-E338 IonicContact CE1-OE1 3.15Å; H312-E338 IonicContact CG-OE1 2.74Å; H312-E338 IonicContact CG-OE2 3.39Å; H312-E338 PolarHBondContact N-OE2 3.07Å; H312-E338 IonicContact ND1-OE1 3.08Å; H312-E338 PolarHBondContact ND1-OE1 3.17Å; H312-E338 IonicContact ND1-OE2 2.7Å; H312-E338 PolarHBondContact ND1-OE2 2.97Å; H312-E338 VanDerWaalsContact ND1-OE2 3.09Å
313	H	97.4	Very high	93.9	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.028	22%	0.217	C	C	.	.			trans	-115.3	143.7	176	-76.7	65.7	0	0	0	110.3	Y242 A267 F282 W308 I311 T315	Y242-H313 AromaticContact CE2-CD2 3.75Å; Y242-H313 AromaticContact CE2-NE2 3.67Å; Y242-H313 AromaticContact CZ-NE2 3.75Å; Y242-H313 PolarHBondContact OH-NE2 2.89Å; Y242-H313 VanDerWaalsContact OH-NE2 3.16Å; A267-H313 HydrophobicContact CB-CB 3.85Å; F282-H313 AromaticContact CD2-NE2 3.6Å; F282-H313 AromaticContact CE1-CE1 3.98Å; F282-H313 AromaticContact CE2-CD2 3.53Å; F282-H313 AromaticContact CE2-NE2 3.39Å; F282-H313 WeakPolarHBondContact CE2-NE2 3.39Å; F282-H313 AromaticContact CZ-CD2 3.9Å; F282-H313 AromaticContact CZ-CE1 3.77Å; F282-H313 AromaticContact CZ-NE2 3.63Å; W308-H313 AromaticContact CE3-ND1 3.79Å; W308-H313 HydrophobicContact CH2-CB 3.73Å; W308-H313 AromaticContact CH2-CD2 3.88Å; W308-H313 AromaticContact CH2-CG 3.58Å; W308-H313 HydrophobicContact CZ2-CB 3.95Å; W308-H313 HydrophobicContact CZ3-CB 4.09Å; W308-H313 AromaticContact CZ3-CD2 3.85Å; W308-H313 AromaticContact CZ3-CE1 3.74Å; W308-H313 AromaticContact CZ3-CG 3.52Å; W308-H313 AromaticContact CZ3-ND1 3.44Å; W308-H313 WeakPolarHBondContact CZ3-ND1 3.31Å; W308-H313 AromaticContact CZ3-NE2 3.96Å; I311-H313 PolarHBondContact O-N 2.78Å; I311-H313 PolarHBondContact O-ND1 3.48Å; H313-T315 PolarHBondContact O-N 2.77Å
314	K	97.6	Very high	93.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.017	22%	0.218	C	C	.	.			trans	-81.1	98.6	170.9	-65.4	-68.7	-176.9	178.9	0	110.3	A267 Y268 S316 F324 G325 Y326 D328 Y331	A267-K314 CarbonylContact C-O 3.57Å; A267-K314 WeakPolarHBondContact CA-O 3.27Å; Y268-K314 VanDerWaalsContact CD2-O 3.26Å; Y268-K314 WeakPolarHBondContact CD2-O 3.07Å; Y268-K314 PolarHBondContact N-O 3.3Å; Y268-K314 WeakPolarHBondContact O-CB 3.3Å; K314-S316 VanDerWaalsContact C-N 3.29Å; K314-F324 CarbonylContact C-O 3.16Å; K314-F324 WeakPolarHBondContact CA-O 3.46Å; K314-F324 VanDerWaalsContact CD-C 3.48Å; K314-F324 WeakPolarHBondContact CD-O 3.47Å; K314-G325 WeakPolarHBondContact CD-O 3.48Å; K314-G325 WeakPolarHBondContact CE-O 3.49Å; K314-G325 PolarHBondContact NZ-O 2.84Å; K314-Y326 HydrophobicContact CB-CD2 4.26Å; K314-Y326 HydrophobicContact CB-CE2 3.5Å; K314-Y326 HydrophobicContact CD-CE2 4.24Å; K314-Y326 HydrophobicContact CG-CD2 4.3Å; K314-Y326 HydrophobicContact CG-CE2 3.57Å; K314-D328 WeakPolarHBondContact CE-OD2 3.05Å; K314-D328 IonicContact NZ-OD2 2.79Å; K314-D328 PolarHBondContact NZ-OD2 3.37Å; K314-Y331 HydrophobicContact CB-CE1 4.46Å; K314-Y331 HydrophobicContact CD-CD1 4.42Å; K314-Y331 HydrophobicContact CD-CD2 4.24Å; K314-Y331 HydrophobicContact CD-CE2 4.35Å; K314-Y331 HydrophobicContact CD-CG 4.25Å; K314-Y331 HydrophobicContact CG-CD1 3.71Å; K314-Y331 HydrophobicContact CG-CD2 4.03Å; K314-Y331 HydrophobicContact CG-CE1 3.48Å; K314-Y331 VanDerWaalsContact CG-CE1 3.48Å; K314-Y331 HydrophobicContact CG-CE2 3.79Å; K314-Y331 HydrophobicContact CG-CG 3.97Å
315	T	95.5	Very high	93.7	Very high	39 Å²	39	38.5 Å²	38.5	24%	0.239	21%	0.209	C	C	.	.			trans	-89.5	7.6	178	64	0	0	0	0	113	R7 V266 W308 H313 F324	R7-T315 PolarHBondContact NH1-O 3.23Å; R7-T315 PolarHBondContact NH2-O 2.95Å; V266-T315 WeakPolarHBondContact O-CA 3.43Å; W308-T315 HydrophobicContact CZ2-CG2 3.96Å; H313-T315 PolarHBondContact O-N 2.77Å; T315-F324 PolarHBondContact N-O 2.59Å
316	S	94.3	Very high	93.7	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	20%	0.204	C	C	.	.			trans	-133	149.4	170.1	-153.9	0	0	0	0	111.5	R7 K314 T318 F324 G325	R7-S316 PolarHBondContact NH1-OG 3.38Å; R7-S316 PolarHBondContact NH2-OG 2.93Å; K314-S316 VanDerWaalsContact C-N 3.29Å; S316-T318 VanDerWaalsContact C-N 3.3Å; S316-T318 WeakPolarHBondContact CB-O 3.1Å; S316-T318 PolarHBondContact OG-N 3.4Å; S316-T318 PolarHBondContact OG-O 3.1Å; S316-F324 PolarHBondContact N-O 2.79Å; S316-G325 VanDerWaalsContact O-CA 3.22Å; S316-G325 WeakPolarHBondContact O-CA 3.36Å
317	C	93	Very high	93.7	Very high	20 Å²	20	40.5 Å²	40.5	14%	0.135	22%	0.222	C	C	.	.	S	Bend	trans	-79.8	-14.7	164.9	-54.5	0	0	0	0	112.2	L227 L229 P230	L227-C317 HydrophobicContact CD1-CB 4.46Å; L229-C317 HydrophobicContact CD2-CB 3.66Å; P230-C317 WeakPolarHBondContact CD-O 3.25Å
318	T	91.6	Very high	93.7	Very high	83 Å²	83	39.8 Å²	39.8	51%	0.509	22%	0.218	S	C	.	.	S	Bend	trans	-140.4	171.8	-172.1	59.3	0	0	0	0	112.7	P230 S316 Y326	P230-T318 HydrophobicContact CG-CG2 4.48Å; S316-T318 VanDerWaalsContact C-N 3.3Å; S316-T318 WeakPolarHBondContact CB-O 3.1Å; S316-T318 PolarHBondContact OG-N 3.4Å; S316-T318 PolarHBondContact OG-O 3.1Å; T318-Y326 CarbonylContact C-O 3.54Å; T318-Y326 WeakPolarHBondContact CA-O 3.17Å
319	G	89.4	Confident	93.6	Very high	26 Å²	26	41.9 Å²	41.9	27%	0.268	24%	0.239	S	C	.	.	S	Bend	trans	87.1	5.9	173.6	0	0	0	0	0	116	Y326	G319-Y326 PolarHBondContact N-O 2.97Å; G319-Y326 VanDerWaalsContact N-O 3.08Å
320	G	92.4	Very high	93.6	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	26%	0.256	C	S	.	.			trans	66.8	-167.9	171.7	0	0	0	0	0	115.1	Q322 L323 F324 G325 Y326 P327	G320-Q322 VanDerWaalsContact C-N 3.25Å; G320-Q322 PolarHBondContact O-N 2.79Å; G320-L323 PolarHBondContact O-N 2.74Å; G320-F324 PolarHBondContact O-N 3.06Å; G320-G325 CarbonylContact C-O 3.36Å; G320-G325 CarbonylContact O-C 3.6Å; G320-G325 WeakPolarHBondContact O-CA 3.3Å; G320-G325 PolarHBondContact O-N 3.44Å; G320-Y326 PolarHBondContact N-O 3.12Å; G320-P327 WeakPolarHBondContact CA-O 3.16Å
321	P	90	Very high	93.9	Very high	71 Å²	71	38.8 Å²	38.8	46%	0.461	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.3	-37.8	-171.2	-20.7	29.3	0	0	0	113.3	L323 F324 P327 D328	P321-L323 PolarHBondContact O-N 3.4Å; P321-F324 PolarHBondContact O-N 2.99Å; P321-P327 WeakPolarHBondContact CD-O 3.17Å; P321-D328 HydrophobicContact CG-CB 3.91Å
322	Q	88.9	Confident	94	Very high	96 Å²	96	38.7 Å²	38.7	45%	0.449	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.1	-178.8	-70	164.3	24.9	0	0	114	M1 G320	M1-Q322 VanDerWaalsContact N-CD 3.35Å; G320-Q322 VanDerWaalsContact C-N 3.25Å; G320-Q322 PolarHBondContact O-N 2.79Å
323	L	89.2	Confident	94.1	Very high	10 Å²	10	38 Å²	38	5%	0.052	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-105.6	12.2	173.9	-72.5	-168.4	0	0	0	114	F3 G320 P321 G325	F3-L323 HydrophobicContact CB-CD1 3.83Å; F3-L323 HydrophobicContact CB-CD2 3.75Å; F3-L323 HydrophobicContact CB-CG 3.63Å; F3-L323 HydrophobicContact CD1-CD1 3.01Å; F3-L323 HydrophobicContact CD1-CD2 4.11Å; F3-L323 HydrophobicContact CD1-CG 3.83Å; F3-L323 HydrophobicContact CD2-CD1 4.49Å; F3-L323 HydrophobicContact CE1-CD1 3.49Å; F3-L323 VanDerWaalsContact CE1-CD1 3.49Å; F3-L323 HydrophobicContact CG-CD1 3.55Å; F3-L323 HydrophobicContact CG-CD2 4.35Å; F3-L323 HydrophobicContact CG-CG 3.95Å; F3-L323 HydrophobicContact CZ-CD1 4.42Å; F3-L323 WeakPolarHBondContact O-CD2 3.44Å; G320-L323 PolarHBondContact O-N 2.74Å; P321-L323 PolarHBondContact O-N 3.4Å; L323-G325 PolarHBondContact O-N 3.18Å
324	F	92	Very high	94	Very high	111 Å²	111	41.3 Å²	41.3	49%	0.487	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	42.3	-169.2	-46.6	-85.3	0	0	0	109.9	K314 T315 S316 G320 P321	K314-F324 CarbonylContact C-O 3.16Å; K314-F324 WeakPolarHBondContact CA-O 3.46Å; K314-F324 VanDerWaalsContact CD-C 3.48Å; K314-F324 WeakPolarHBondContact CD-O 3.47Å; T315-F324 PolarHBondContact N-O 2.59Å; S316-F324 PolarHBondContact N-O 2.79Å; G320-F324 PolarHBondContact O-N 3.06Å; P321-F324 PolarHBondContact O-N 2.99Å
325	G	95.5	Very high	94	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.			trans	-133	-172.2	-176.5	0	0	0	0	0	114.7	K314 S316 G320 L323	K314-G325 WeakPolarHBondContact CD-O 3.48Å; K314-G325 WeakPolarHBondContact CE-O 3.49Å; K314-G325 PolarHBondContact NZ-O 2.84Å; S316-G325 VanDerWaalsContact O-CA 3.22Å; S316-G325 WeakPolarHBondContact O-CA 3.36Å; G320-G325 CarbonylContact C-O 3.36Å; G320-G325 CarbonylContact O-C 3.6Å; G320-G325 WeakPolarHBondContact O-CA 3.3Å; G320-G325 PolarHBondContact O-N 3.44Å; L323-G325 PolarHBondContact O-N 3.18Å
326	Y	95.7	Very high	94.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-104.3	157.1	177.2	-65.8	-93.7	0	0	0	110.4	L229 Y232 Y268 P270 K314 T318 G319 G320 Y331	L229-Y326 HydrophobicContact CB-CD1 4.46Å; L229-Y326 HydrophobicContact CB-CD2 4.37Å; L229-Y326 HydrophobicContact CB-CG 4.18Å; L229-Y326 HydrophobicContact CD1-CD1 4.45Å; L229-Y326 HydrophobicContact CD1-CD2 3.89Å; L229-Y326 HydrophobicContact CD1-CE1 4.18Å; L229-Y326 HydrophobicContact CD1-CE2 3.58Å; L229-Y326 HydrophobicContact CD1-CG 4.32Å; L229-Y326 HydrophobicContact CD2-CD2 3.78Å; L229-Y326 HydrophobicContact CD2-CE2 4.14Å; L229-Y326 HydrophobicContact CD2-CG 4.38Å; L229-Y326 HydrophobicContact CG-CD2 4.22Å; L229-Y326 HydrophobicContact CG-CE2 4.38Å; Y232-Y326 HydrophobicContact CD2-CD1 4.2Å; Y232-Y326 HydrophobicContact CD2-CE1 4.33Å; Y232-Y326 HydrophobicContact CE2-CD1 4.02Å; Y232-Y326 AromaticContact CE2-CE1 3.99Å; Y232-Y326 HydrophobicContact CE2-CE1 3.99Å; Y268-Y326 PolarHBondContact O-OH 3Å; P270-Y326 WeakPolarHBondContact CD-OH 3.43Å; K314-Y326 HydrophobicContact CB-CD2 4.26Å; K314-Y326 HydrophobicContact CB-CE2 3.5Å; K314-Y326 HydrophobicContact CD-CE2 4.24Å; K314-Y326 HydrophobicContact CG-CD2 4.3Å; K314-Y326 HydrophobicContact CG-CE2 3.57Å; T318-Y326 CarbonylContact C-O 3.54Å; T318-Y326 WeakPolarHBondContact CA-O 3.17Å; G319-Y326 PolarHBondContact N-O 2.97Å; G319-Y326 VanDerWaalsContact N-O 3.08Å; G320-Y326 PolarHBondContact N-O 3.12Å; Y326-Y331 HydrophobicContact CE1-CD1 4.24Å; Y326-Y331 WeakPolarHBondContact OH-CE1 3.34Å
327	P	96.2	Very high	94.1	Very high	61 Å²	61	45.7 Å²	45.7	40%	0.396	26%	0.257	S	S	.	.			cis	-71.7	142.5	-3	30.9	-34.2	0	0	0	111.9	P230 S231 G320 P321	P230-P327 HydrophobicContact CB-CB 3.95Å; P230-P327 HydrophobicContact CB-CG 4.2Å; S231-P327 WeakPolarHBondContact OG-CB 3.45Å; G320-P327 WeakPolarHBondContact CA-O 3.16Å; P321-P327 WeakPolarHBondContact CD-O 3.17Å
328	D	95.8	Very high	94.2	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	26%	0.258	C	S	.	.			trans	-148.4	91.5	169.7	-177.5	-10.6	0	0	0	108	K314 P321 T330 Y331 R334	K314-D328 WeakPolarHBondContact CE-OD2 3.05Å; K314-D328 IonicContact NZ-OD2 2.79Å; K314-D328 PolarHBondContact NZ-OD2 3.37Å; P321-D328 HydrophobicContact CG-CB 3.91Å; D328-T330 PolarHBondContact O-N 3.36Å; D328-T330 VanDerWaalsContact O-N 3.15Å; D328-T330 PolarHBondContact OD1-N 2.99Å; D328-T330 VanDerWaalsContact OD1-N 3.16Å; D328-T330 PolarHBondContact OD1-OG1 3.01Å; D328-Y331 WeakPolarHBondContact O-CB 3.35Å; D328-Y331 PolarHBondContact O-N 2.98Å; D328-Y331 PolarHBondContact OD1-N 3.45Å; D328-R334 IonicContact OD2-NH2 3.64Å; D328-R334 PolarHBondContact OD2-NH2 3.19Å
329	P	94.4	Very high	94.3	Very high	105 Å²	105	42.4 Å²	42.4	68%	0.682	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.8	-173.7	25.8	-34	0	0	0	113.1
330	T	95.3	Very high	94.4	Very high	80 Å²	80	48 Å²	48	49%	0.491	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.2	-178	66.7	0	0	0	0	113.5	D328 L332 T333 R334	D328-T330 PolarHBondContact O-N 3.36Å; D328-T330 VanDerWaalsContact O-N 3.15Å; D328-T330 PolarHBondContact OD1-N 2.99Å; D328-T330 VanDerWaalsContact OD1-N 3.16Å; D328-T330 PolarHBondContact OD1-OG1 3.01Å; T330-L332 PolarHBondContact O-N 3.42Å; T330-T333 PolarHBondContact O-N 2.88Å; T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.33Å; T330-R334 PolarHBondContact O-N 2.94Å
331	Y	97.7	Very high	94.1	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-48.8	-168.3	167.3	-115	0	0	0	113.4	L269 H312 K314 Y326 D328 T333 R334 V335	L269-Y331 HydrophobicContact CD2-CE1 3.6Å; H312-Y331 WeakPolarHBondContact O-CE2 3.33Å; H312-Y331 PolarHBondContact O-OH 3.44Å; K314-Y331 HydrophobicContact CB-CE1 4.46Å; K314-Y331 HydrophobicContact CD-CD1 4.42Å; K314-Y331 HydrophobicContact CD-CD2 4.24Å; K314-Y331 HydrophobicContact CD-CE2 4.35Å; K314-Y331 HydrophobicContact CD-CG 4.25Å; K314-Y331 HydrophobicContact CG-CD1 3.71Å; K314-Y331 HydrophobicContact CG-CD2 4.03Å; K314-Y331 HydrophobicContact CG-CE1 3.48Å; K314-Y331 VanDerWaalsContact CG-CE1 3.48Å; K314-Y331 HydrophobicContact CG-CE2 3.79Å; K314-Y331 HydrophobicContact CG-CG 3.97Å; Y326-Y331 HydrophobicContact CE1-CD1 4.24Å; Y326-Y331 WeakPolarHBondContact OH-CE1 3.34Å; D328-Y331 WeakPolarHBondContact O-CB 3.35Å; D328-Y331 PolarHBondContact O-N 2.98Å; D328-Y331 PolarHBondContact OD1-N 3.45Å; Y331-T333 VanDerWaalsContact C-N 3.31Å; Y331-T333 PolarHBondContact O-N 2.91Å; Y331-R334 PolarHBondContact O-N 3.15Å; Y331-V335 HydrophobicContact CD2-CB 4.32Å; Y331-V335 HydrophobicContact CE2-CB 3.91Å; Y331-V335 HydrophobicContact CE2-CG1 4.26Å; Y331-V335 HydrophobicContact CE2-CG2 4.2Å; Y331-V335 WeakPolarHBondContact O-CB 3.39Å; Y331-V335 WeakPolarHBondContact O-CG1 3.46Å; Y331-V335 PolarHBondContact O-N 3.22Å
332	L	97.2	Very high	94	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-36.7	-175.4	-63.2	-180	0	0	0	111.6	Y232 L269 P270 E274 V278 T330 V335 Q336	Y232-L332 HydrophobicContact CE1-CD1 4.21Å; L269-L332 HydrophobicContact CD2-CD2 4.23Å; P270-L332 HydrophobicContact CG-CD1 3.97Å; E274-L332 HydrophobicContact CB-CD1 3.93Å; E274-L332 HydrophobicContact CG-CB 3.96Å; E274-L332 HydrophobicContact CG-CD1 3.76Å; E274-L332 HydrophobicContact CG-CG 4.46Å; E274-L332 VanDerWaalsContact OE1-CB 3.26Å; E274-L332 WeakPolarHBondContact OE1-CB 3.3Å; V278-L332 HydrophobicContact CB-CD2 4.44Å; V278-L332 HydrophobicContact CG2-CB 4.45Å; V278-L332 HydrophobicContact CG2-CD2 3.96Å; T330-L332 PolarHBondContact O-N 3.42Å; L332-V335 WeakPolarHBondContact O-CG1 3.46Å; L332-Q336 VanDerWaalsContact O-CG 3.25Å; L332-Q336 WeakPolarHBondContact O-CG 3.3Å; L332-Q336 PolarHBondContact O-N 2.85Å; L332-Q336 PolarHBondContact O-NE2 3.39Å
333	T	96.5	Very high	94	Very high	71 Å²	71	45.4 Å²	45.4	44%	0.436	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-52.1	172.9	-47.3	0	0	0	0	111.3	T330 Y331 V335 Q336 E337	T330-T333 PolarHBondContact O-N 2.88Å; Y331-T333 VanDerWaalsContact C-N 3.31Å; Y331-T333 PolarHBondContact O-N 2.91Å; T333-V335 PolarHBondContact O-N 3.38Å; T333-Q336 WeakPolarHBondContact O-CB 3.42Å; T333-Q336 PolarHBondContact O-N 3.39Å; T333-E337 PolarHBondContact O-N 2.79Å; T333-E337 VanDerWaalsContact O-N 3.12Å
334	R	96.7	Very high	94	Very high	75 Å²	75	45 Å²	45	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-40.6	-176.9	-176.7	168.4	46.9	80.3	-0.2	112.5	D328 T330 Y331 Q336 E337 E338	D328-R334 IonicContact OD2-NH2 3.64Å; D328-R334 PolarHBondContact OD2-NH2 3.19Å; T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.33Å; T330-R334 PolarHBondContact O-N 2.94Å; Y331-R334 PolarHBondContact O-N 3.15Å; R334-Q336 VanDerWaalsContact C-N 3.35Å; R334-Q336 PolarHBondContact O-N 3.45Å; R334-E337 WeakPolarHBondContact O-CB 3.49Å; R334-E337 PolarHBondContact O-N 2.97Å; R334-E338 IonicContact NH1-OE1 3.88Å; R334-E338 PolarHBondContact NH1-OE1 3.13Å; R334-E338 WeakPolarHBondContact O-CG 3.18Å; R334-E338 PolarHBondContact O-N 3.37Å
335	V	97.3	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-33.1	178.8	77.7	0	0	0	0	112.2	V278 F282 I311 H312 Y331 L332 T333 E337 E338 L339	V278-V335 HydrophobicContact CG1-CG1 3.7Å; V278-V335 HydrophobicContact CG2-CG1 3.95Å; F282-V335 HydrophobicContact CE1-CG2 3.56Å; F282-V335 HydrophobicContact CZ-CG2 3.75Å; I311-V335 HydrophobicContact CG2-CG2 4.08Å; H312-V335 WeakPolarHBondContact O-CG2 3.44Å; Y331-V335 HydrophobicContact CD2-CB 4.32Å; Y331-V335 HydrophobicContact CE2-CB 3.91Å; Y331-V335 HydrophobicContact CE2-CG1 4.26Å; Y331-V335 HydrophobicContact CE2-CG2 4.2Å; Y331-V335 WeakPolarHBondContact O-CB 3.39Å; Y331-V335 WeakPolarHBondContact O-CG1 3.46Å; Y331-V335 PolarHBondContact O-N 3.22Å; L332-V335 WeakPolarHBondContact O-CG1 3.46Å; T333-V335 PolarHBondContact O-N 3.38Å; V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 2.86Å; V335-E338 PolarHBondContact O-N 3Å; V335-L339 HydrophobicContact CG2-CD1 4.26Å; V335-L339 WeakPolarHBondContact O-CB 3.21Å; V335-L339 VanDerWaalsContact O-CD1 3.27Å; V335-L339 WeakPolarHBondContact O-CD1 3.33Å; V335-L339 WeakPolarHBondContact O-CG 3.35Å; V335-L339 PolarHBondContact O-N 3.5Å
336	Q	96.6	Very high	93.1	Very high	41 Å²	41	45.5 Å²	45.5	19%	0.192	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-36.5	171.4	-74.5	173.9	85.8	0	0	111.5	E274 V278 L281 L332 T333 R334 R340	E274-Q336 PolarHBondContact OE1-NE2 2.6Å; V278-Q336 HydrophobicContact CG2-CG 3.88Å; L281-Q336 HydrophobicContact CD1-CG 3.98Å; L332-Q336 VanDerWaalsContact O-CG 3.25Å; L332-Q336 WeakPolarHBondContact O-CG 3.3Å; L332-Q336 PolarHBondContact O-N 2.85Å; L332-Q336 PolarHBondContact O-NE2 3.39Å; T333-Q336 WeakPolarHBondContact O-CB 3.42Å; T333-Q336 PolarHBondContact O-N 3.39Å; R334-Q336 VanDerWaalsContact C-N 3.35Å; R334-Q336 PolarHBondContact O-N 3.45Å; Q336-R340 VanDerWaalsContact O-CB 3.28Å; Q336-R340 WeakPolarHBondContact O-CB 3.44Å; Q336-R340 PolarHBondContact O-N 3.22Å
337	E	94.2	Very high	91.6	Very high	97 Å²	97	53.4 Å²	53.4	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-42.9	173.9	-66.5	170.1	171.8	0	0	112.5	T333 R334 V335 L339 R340 A341	T333-E337 PolarHBondContact O-N 2.79Å; T333-E337 VanDerWaalsContact O-N 3.12Å; R334-E337 WeakPolarHBondContact O-CB 3.49Å; R334-E337 PolarHBondContact O-N 2.97Å; V335-E337 VanDerWaalsContact C-N 3.3Å; V335-E337 PolarHBondContact O-N 2.86Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 3.03Å; E337-R340 PolarHBondContact O-N 2.8Å; E337-A341 WeakPolarHBondContact O-CB 3.27Å; E337-A341 PolarHBondContact O-N 3.35Å
338	E	94.7	Very high	91.4	Very high	35 Å²	35	53 Å²	53	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-44.3	174.8	-69.1	169.8	-169.2	0	0	111.4	H312 R334 V335 A341 K342	H312-E338 WeakPolarHBondContact CB-OE2 3.4Å; H312-E338 IonicContact CE1-OE1 3.15Å; H312-E338 IonicContact CG-OE1 2.74Å; H312-E338 IonicContact CG-OE2 3.39Å; H312-E338 PolarHBondContact N-OE2 3.07Å; H312-E338 IonicContact ND1-OE1 3.08Å; H312-E338 PolarHBondContact ND1-OE1 3.17Å; H312-E338 IonicContact ND1-OE2 2.7Å; H312-E338 PolarHBondContact ND1-OE2 2.97Å; H312-E338 VanDerWaalsContact ND1-OE2 3.09Å; R334-E338 IonicContact NH1-OE1 3.88Å; R334-E338 PolarHBondContact NH1-OE1 3.13Å; R334-E338 WeakPolarHBondContact O-CG 3.18Å; R334-E338 PolarHBondContact O-N 3.37Å; V335-E338 PolarHBondContact O-N 3Å; E338-A341 PolarHBondContact O-N 2.99Å; E338-K342 PolarHBondContact O-N 3.5Å
339	L	94.6	Very high	91.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-46.4	175.9	-74	159.5	0	0	0	111.5	L281 F282 A285 I311 V335 E337 A341 K342 G343 I344	L281-L339 HydrophobicContact CB-CD1 3.71Å; L281-L339 HydrophobicContact CD1-CD1 4.15Å; F282-L339 HydrophobicContact CD1-CD1 3.82Å; F282-L339 HydrophobicContact CD1-CD2 4.15Å; F282-L339 HydrophobicContact CE1-CD1 3.84Å; F282-L339 HydrophobicContact CE1-CD2 4.47Å; F282-L339 HydrophobicContact CE1-CG 4.49Å; A285-L339 HydrophobicContact CB-CD2 3.76Å; I311-L339 HydrophobicContact CD1-CD2 3.75Å; I311-L339 HydrophobicContact CG1-CD2 4.25Å; I311-L339 HydrophobicContact CG2-CD2 3.99Å; I311-L339 HydrophobicContact CG2-CG 4.24Å; V335-L339 HydrophobicContact CG2-CD1 4.26Å; V335-L339 WeakPolarHBondContact O-CB 3.21Å; V335-L339 VanDerWaalsContact O-CD1 3.27Å; V335-L339 WeakPolarHBondContact O-CD1 3.33Å; V335-L339 WeakPolarHBondContact O-CG 3.35Å; V335-L339 PolarHBondContact O-N 3.5Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 3.03Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 3.14Å; L339-K342 CarbonylContact O-C 3.45Å; L339-K342 WeakPolarHBondContact O-CA 3.19Å; L339-K342 PolarHBondContact O-N 3.4Å; L339-G343 PolarHBondContact O-N 3.12Å; L339-I344 CarbonylContact C-O 3.44Å; L339-I344 HydrophobicContact CB-CB 4.1Å; L339-I344 HydrophobicContact CB-CG2 4.34Å; L339-I344 HydrophobicContact CD2-CB 4.2Å; L339-I344 HydrophobicContact CD2-CG1 4.47Å; L339-I344 HydrophobicContact CD2-CG2 4.1Å; L339-I344 WeakPolarHBondContact O-CB 3.46Å; L339-I344 PolarHBondContact O-N 3.45Å
340	R	91	Very high	91	Very high	144 Å²	144	52.9 Å²	52.9	54%	0.543	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-40	175.6	-179.7	-178.7	59.3	78	1.7	111.8	Q336 E337 K342 G343 I344 T345	Q336-R340 VanDerWaalsContact O-CB 3.28Å; Q336-R340 WeakPolarHBondContact O-CB 3.44Å; Q336-R340 PolarHBondContact O-N 3.22Å; E337-R340 PolarHBondContact O-N 2.8Å; R340-K342 PolarHBondContact O-N 3.11Å; R340-G343 PolarHBondContact O-N 3.45Å; R340-I344 WeakPolarHBondContact CA-O 3.17Å; R340-I344 PolarHBondContact N-O 2.9Å; R340-T345 HydrophobicContact CG-CG2 4.17Å
341	A	86.7	Confident	90.7	Very high	68 Å²	68	51.3 Å²	51.3	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-64.1	-23.1	175.9	0	0	0	0	0	112.9	F205 E337 E338 L339	F205-A341 WeakPolarHBondContact CE2-O 3.47Å; E337-A341 WeakPolarHBondContact O-CB 3.27Å; E337-A341 PolarHBondContact O-N 3.35Å; E338-A341 PolarHBondContact O-N 2.99Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 3.14Å
342	K	88.2	Confident	90.3	Very high	29 Å²	29	54.4 Å²	54.4	13%	0.126	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	8.8	171.5	-74.1	173.7	178.9	-95.8	0	114	L209 L290 N309 D310 I311 E338 L339 R340 I344	L209-K342 WeakPolarHBondContact CD2-O 3.32Å; L290-K342 HydrophobicContact CD1-CB 4.45Å; N309-K342 WeakPolarHBondContact O-CE 3.15Å; N309-K342 PolarHBondContact O-NZ 3.28Å; N309-K342 PolarHBondContact OD1-NZ 3.15Å; D310-K342 WeakPolarHBondContact O-CE 3.42Å; I311-K342 HydrophobicContact CD1-CD 3.71Å; I311-K342 HydrophobicContact CG1-CD 3.52Å; E338-K342 PolarHBondContact O-N 3.5Å; L339-K342 CarbonylContact O-C 3.45Å; L339-K342 WeakPolarHBondContact O-CA 3.19Å; L339-K342 PolarHBondContact O-N 3.4Å; R340-K342 PolarHBondContact O-N 3.11Å; K342-I344 VanDerWaalsContact C-N 3.34Å
343	G	87.5	Confident	89.8	Confident	22 Å²	22	58 Å²	58	23%	0.227	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	12.5	179.7	0	0	0	0	0	114.5	L339 R340	L339-G343 PolarHBondContact O-N 3.12Å; R340-G343 PolarHBondContact O-N 3.45Å
344	I	91	Very high	89.4	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.294	C	S	.	.			trans	-93.8	104.3	176.7	-55.9	-55.7	0	0	0	109.4	L281 K284 A285 Q288 L290 L339 R340 K342	L281-I344 HydrophobicContact CB-CG2 4.09Å; L281-I344 HydrophobicContact CD2-CG2 4Å; L281-I344 WeakPolarHBondContact O-CG2 3.36Å; K284-I344 HydrophobicContact CB-CG2 4.11Å; K284-I344 HydrophobicContact CD-CG2 4.21Å; K284-I344 HydrophobicContact CG-CD1 4.23Å; K284-I344 HydrophobicContact CG-CG2 4.22Å; A285-I344 HydrophobicContact CB-CG1 4.06Å; Q288-I344 HydrophobicContact CB-CD1 4.37Å; Q288-I344 VanDerWaalsContact CD-CD1 3.42Å; Q288-I344 HydrophobicContact CG-CD1 4.36Å; L290-I344 HydrophobicContact CD1-CD1 3.82Å; L290-I344 HydrophobicContact CD1-CG1 4.04Å; L339-I344 CarbonylContact C-O 3.44Å; L339-I344 HydrophobicContact CB-CB 4.1Å; L339-I344 HydrophobicContact CB-CG2 4.34Å; L339-I344 HydrophobicContact CD2-CB 4.2Å; L339-I344 HydrophobicContact CD2-CG1 4.47Å; L339-I344 HydrophobicContact CD2-CG2 4.1Å; L339-I344 WeakPolarHBondContact O-CB 3.46Å; L339-I344 PolarHBondContact O-N 3.45Å; R340-I344 WeakPolarHBondContact CA-O 3.17Å; R340-I344 PolarHBondContact N-O 2.9Å; K342-I344 VanDerWaalsContact C-N 3.34Å
345	T	87.1	Confident	88.8	Confident	26 Å²	26	55.7 Å²	55.7	16%	0.16	29%	0.294	C	S	.	.			trans	-122.5	169.5	175.7	52.6	0	0	0	0	110.8	K284 R340 D347	K284-T345 PolarHBondContact NZ-O 2.79Å; R340-T345 HydrophobicContact CG-CG2 4.17Å; T345-D347 PolarHBondContact O-N 2.85Å
346	D	80	Confident	88.1	Confident	95 Å²	95	60.3 Å²	60.3	51%	0.508	32%	0.319	S	S	.	.			trans	-65	-30.1	176.3	-63.3	-49	0	0	0	112.2	K277 L281	K277-D346 WeakPolarHBondContact CE-OD1 3.34Å; K277-D346 WeakPolarHBondContact CE-OD2 3.49Å; K277-D346 IonicContact NZ-OD2 3.72Å; K277-D346 PolarHBondContact NZ-OD2 3.36Å; L281-D346 WeakPolarHBondContact CD2-OD1 3.49Å
347	D	65.6	Low	87.3	Confident	166 Å²	166	62.1 Å²	62.1	89%	0.888	33%	0.33	S	S	*	.			trans	-67.7	0	175.5	-36.3	-56.8	0	0	0	113.2	R204 K284 T345	R204-D347 IonicContact NH2-OD2 3.39Å; K284-D347 PolarHBondContact NZ-OXT 2.9Å; T345-D347 PolarHBondContact O-N 2.85Å

Retrieved 347 of 347 residues in 255.2 ms (Link to these results)

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