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Muskelin

Component of the CTLH E3 ubiquitin-protein ligase complex that selectively accepts ubiquitin from UBE2H and mediates ubiquitination and subsequent proteasomal degradation of the transcription factor HBP1 (By similarity). Required for internalization of the GABA receptor GABRA1 from the cell membrane via endosomes and subsequent GABRA1 degradation¹. Acts as a mediator of cell spreading and cytoskeletal responses to the extracellular matrix component THBS1 (By similarity).

AlphaFold DB , UniProt , Accession Q99PV3, Species RAT (Rattus norvegicus, Rat), Gene Mkln1, Length 735 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	37.2	Very low	42.2	Very low	242 Å²	242	104.9 Å²	104.9	100%	1.192	78%	0.782	S	S	*	*				0	108.4	0	-72.1	-156	-76.2	0	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.01Å
2	A	37.3	Very low	45	Very low	105 Å²	105	110.7 Å²	110.7	87%	0.868	79%	0.785	S	S	*	*			trans	-74.3	113	172.7	0	0	0	0	0	107.7	G4	A2-G4 VanDerWaalsContact C-N 3.31Å; A2-G4 PolarHBondContact O-N 3.42Å
3	A	37.9	Very low	48.3	Very low	103 Å²	103	106.9 Å²	106.9	85%	0.851	76%	0.756	S	S	*	*			trans	-74.3	92.1	168.1	0	0	0	0	0	107.1	M1 G5	M1-A3 PolarHBondContact O-N 3.01Å; A3-G5 PolarHBondContact O-N 3.33Å
4	G	34.1	Very low	51.5	Low	73 Å²	73	107.3 Å²	107.3	75%	0.753	73%	0.733	S	S	*	*			trans	-63.2	105.2	165.3	0	0	0	0	0	107.8	A2 A6	A2-G4 VanDerWaalsContact C-N 3.31Å; A2-G4 PolarHBondContact O-N 3.42Å; G4-A6 PolarHBondContact O-N 3.06Å; G4-A6 VanDerWaalsContact O-N 3.07Å
5	G	34.5	Very low	54.5	Low	69 Å²	69	107.2 Å²	107.2	71%	0.711	72%	0.721	S	S	*	*			trans	-62.5	108.6	166.3	0	0	0	0	0	107.4	A3 V7	A3-G5 PolarHBondContact O-N 3.33Å; G5-V7 PolarHBondContact O-N 3.39Å
6	A	37	Very low	57.2	Low	96 Å²	96	100.8 Å²	100.8	79%	0.793	68%	0.677	S	S	*	*			trans	-58.1	113.5	165.2	0	0	0	0	0	106.7	G4 A8	G4-A6 PolarHBondContact O-N 3.06Å; G4-A6 VanDerWaalsContact O-N 3.07Å; A6-A8 PolarHBondContact O-N 2.69Å
7	V	37.7	Very low	59.6	Low	140 Å²	140	98.7 Å²	98.7	85%	0.848	66%	0.662	S	S	*	*			trans	-58.4	109.7	166	-178.6	0	0	0	0	104.9	G5 A9	G5-V7 PolarHBondContact O-N 3.39Å; V7-A9 PolarHBondContact O-N 3.07Å; V7-A9 VanDerWaalsContact O-N 3.11Å
8	A	40.2	Very low	61.7	Low	88 Å²	88	95.1 Å²	95.1	73%	0.727	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.4	121.5	177	0	0	0	0	0	107.5	A6 A10	A6-A8 PolarHBondContact O-N 2.69Å; A8-A10 PolarHBondContact O-N 3.4Å
9	A	46.4	Very low	63.6	Low	92 Å²	92	93.1 Å²	93.1	76%	0.76	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-53.2	136.3	176.8	0	0	0	0	0	108.8	V7	V7-A9 PolarHBondContact O-N 3.07Å; V7-A9 VanDerWaalsContact O-N 3.11Å
10	A	57.4	Low	65.3	Low	84 Å²	84	89.7 Å²	89.7	69%	0.694	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-54.9	139.2	174.1	0	0	0	0	0	108.8	A8 E12	A8-A10 PolarHBondContact O-N 3.4Å; A10-E12 PolarHBondContact O-N 3.21Å; A10-E12 VanDerWaalsContact O-N 3.16Å
11	P	64.5	Low	66.8	Low	62 Å²	62	88.7 Å²	88.7	40%	0.403	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-54.2	123.7	-179.6	-24.6	33.4	0	0	0	110.9	C13 I155 I160	P11-C13 PolarHBondContact O-N 3.24Å; P11-I155 HydrophobicContact CB-CD1 3.56Å; P11-I155 HydrophobicContact CB-CG1 3.96Å; P11-I155 HydrophobicContact CB-CG2 4.35Å; P11-I155 HydrophobicContact CG-CD1 4.16Å; P11-I160 HydrophobicContact CB-CD1 3.59Å; P11-I160 HydrophobicContact CG-CD1 3.65Å
12	E	76.4	Confident	69.6	Low	174 Å²	174	81.2 Å²	81.2	81%	0.813	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-68.5	121.1	179.5	-74	-176.3	170.8	0	0	110.4	A10 R14	A10-E12 PolarHBondContact O-N 3.21Å; A10-E12 VanDerWaalsContact O-N 3.16Å; E12-R14 PolarHBondContact O-N 2.84Å
13	C	87	Confident	72.5	Confident	62 Å²	62	80.3 Å²	80.3	42%	0.419	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-69.8	122.8	172.3	-169.2	0	0	0	0	109.2	P11 Q69 G154	P11-C13 PolarHBondContact O-N 3.24Å; C13-Q69 PolarHBondContact SG-OE1 2.91Å; C13-G154 PolarHBondContact SG-N 2.74Å
14	R	93.8	Very high	75.2	Confident	112 Å²	112	77.4 Å²	77.4	42%	0.423	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165.1	180	65.8	-176.7	177.1	-156.1	-6.5	112.7	E12 L16 S153 G154 D156	E12-R14 PolarHBondContact O-N 2.84Å; R14-L16 PolarHBondContact O-N 2.87Å; R14-S153 CarbonylContact O-C 3.51Å; R14-S153 WeakPolarHBondContact O-CA 3.48Å; R14-S153 WeakPolarHBondContact O-CB 3.4Å; R14-G154 PolarHBondContact N-O 2.97Å; R14-G154 PolarHBondContact O-N 3.4Å; R14-D156 IonicContact CZ-OD1 3.77Å; R14-D156 IonicContact NE-OD1 2.73Å; R14-D156 PolarHBondContact NE-OD1 3.48Å; R14-D156 PolarHBondContact NH2-O 2.82Å; R14-D156 IonicContact NH2-OD1 2.73Å; R14-D156 PolarHBondContact NH2-OD1 2.72Å; R14-D156 IonicContact NH2-OD2 3.74Å
15	L	96.5	Very high	78.2	Confident	106 Å²	106	74.7 Å²	74.7	56%	0.555	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	131.5	174.4	-170.4	72.4	0	0	0	110.4	P17 E151	L15-P17 WeakPolarHBondContact O-CD 3.5Å; L15-E151 HydrophobicContact CD1-CB 4.46Å; L15-E151 HydrophobicContact CD1-CG 3.41Å; L15-E151 VanDerWaalsContact CD1-CG 3.41Å
16	L	97.5	Very high	81.1	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.026	45%	0.448	C	S	.	.			trans	-104.5	110.3	-178.4	-61.8	178.6	0	0	0	110.4	R14 L62 A66 V68 L152 D156	R14-L16 PolarHBondContact O-N 2.87Å; L16-L62 HydrophobicContact CB-CD2 4.24Å; L16-A66 HydrophobicContact CD1-CB 3.8Å; L16-A66 HydrophobicContact CD2-CB 3.86Å; L16-A66 HydrophobicContact CG-CB 4.45Å; L16-V68 HydrophobicContact CD1-CB 4.38Å; L16-V68 HydrophobicContact CD1-CG1 4.32Å; L16-V68 HydrophobicContact CD1-CG2 3.96Å; L16-L152 HydrophobicContact CB-CB 4.15Å; L16-L152 PolarHBondContact N-O 3.38Å; L16-D156 HydrophobicContact CD2-CB 3.73Å
17	P	97.3	Very high	83.7	Confident	65 Å²	65	72.6 Å²	72.6	42%	0.422	42%	0.422	S	S	.	.			trans	-63.8	138.9	175.9	-20.3	32.4	0	0	0	111.8	L15 E63	L15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-E63 HydrophobicContact CB-CB 4.25Å; P17-E63 WeakPolarHBondContact CB-OE2 3.48Å; P17-E63 PolarHBondContact O-N 3.02Å
18	Y	98.1	Very high	86.1	Confident	34 Å²	34	70.3 Å²	70.3	13%	0.133	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161	177.4	72.2	-92.8	0	0	0	111.6	L20 I35 L36 L60 K61 V150 L152	Y18-L20 HydrophobicContact CE2-CD2 4.12Å; Y18-I35 HydrophobicContact CE2-CD1 4.36Å; Y18-L36 HydrophobicContact CD2-CD2 4.02Å; Y18-L36 HydrophobicContact CE2-CD2 3.41Å; Y18-L36 VanDerWaalsContact CE2-CD2 3.41Å; Y18-L60 HydrophobicContact CD2-CB 3.78Å; Y18-L60 HydrophobicContact CD2-CD1 3.98Å; Y18-L60 HydrophobicContact CD2-CD2 4.06Å; Y18-L60 HydrophobicContact CD2-CG 4.14Å; Y18-L60 HydrophobicContact CE2-CB 4.33Å; Y18-L60 HydrophobicContact CE2-CD1 3.79Å; Y18-L60 HydrophobicContact CE2-CD2 3.82Å; Y18-L60 HydrophobicContact CE2-CG 4.18Å; Y18-L60 HydrophobicContact CG-CB 4.31Å; Y18-L60 HydrophobicContact CG-CD1 4.47Å; Y18-K61 CarbonylContact C-O 3.47Å; Y18-K61 WeakPolarHBondContact CA-O 3.45Å; Y18-V150 WeakPolarHBondContact CE1-O 3.45Å; Y18-V150 WeakPolarHBondContact OH-CB 3.31Å; Y18-V150 PolarHBondContact OH-O 2.91Å; Y18-L152 HydrophobicContact CD1-CD1 3.97Å; Y18-L152 HydrophobicContact CD1-CG 4.26Å; Y18-L152 HydrophobicContact CE1-CG 4.46Å; Y18-L152 HydrophobicContact CG-CD1 4.31Å
19	A	97.7	Very high	88.4	Confident	56 Å²	56	70.4 Å²	70.4	46%	0.463	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	153.2	170.1	0	0	0	0	0	110.4	H21 L60 K61	A19-H21 PolarHBondContact O-N 3.34Å; A19-L60 WeakPolarHBondContact O-CA 3.27Å; A19-K61 PolarHBondContact N-O 2.65Å; A19-K61 PolarHBondContact O-N 2.99Å
20	L	97	Very high	90.7	Very high	26 Å²	26	68.7 Å²	68.7	14%	0.136	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.1	168.6	-81	-67.3	0	0	0	108.3	Y18 W23 P32 I35 L36 L58 L60	Y18-L20 HydrophobicContact CE2-CD2 4.12Å; L20-W23 HydrophobicContact CB-CE3 4.37Å; L20-W23 HydrophobicContact CB-CZ3 4.05Å; L20-P32 HydrophobicContact CD1-CB 3.9Å; L20-P32 HydrophobicContact CG-CB 4.03Å; L20-I35 HydrophobicContact CD1-CD1 3.98Å; L20-I35 HydrophobicContact CD1-CG1 4.45Å; L20-I35 HydrophobicContact CD2-CD1 4.21Å; L20-I35 HydrophobicContact CD2-CG1 4.01Å; L20-L36 HydrophobicContact CD2-CD1 4.06Å; L20-L36 HydrophobicContact CD2-CD2 3.67Å; L20-L36 HydrophobicContact CD2-CG 3.74Å; L20-L58 HydrophobicContact CD1-CD1 4.45Å; L20-L58 HydrophobicContact CD1-CD2 4.34Å; L20-L60 HydrophobicContact CD1-CD2 3.68Å
21	H	97	Very high	92.6	Very high	69 Å²	69	68 Å²	68	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-41.7	-174.9	174.5	78.7	0	0	0	112.7	A19 I59 K61 E95 F130	A19-H21 PolarHBondContact O-N 3.34Å; H21-I59 WeakPolarHBondContact CA-O 3.48Å; H21-I59 HydrophobicContact CB-CG2 4.45Å; H21-I59 WeakPolarHBondContact CB-O 3.39Å; H21-I59 PolarHBondContact N-O 3.13Å; H21-K61 HydrophobicContact CB-CB 3.64Å; H21-E95 IonicContact CD2-OE2 3.22Å; H21-E95 PolarHBondContact CD2-OE2 2.96Å; H21-E95 IonicContact CE1-OE2 3.44Å; H21-E95 IonicContact NE2-OE2 2.72Å; H21-E95 PolarHBondContact NE2-OE2 3.02Å; H21-F130 AromaticContact CD2-CE1 3.73Å; H21-F130 AromaticContact CE1-CE1 3.83Å; H21-F130 AromaticContact CG-CE1 3.87Å; H21-F130 AromaticContact ND1-CE1 3.91Å; H21-F130 AromaticContact NE2-CE1 3.69Å
22	K	97	Very high	94.1	Very high	85 Å²	85	65.1 Å²	65.1	37%	0.37	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156	178.5	-162	173.7	-175.4	172.9	0	110.3	Y57 I59 E95	K22-Y57 HydrophobicContact CG-CE2 4.21Å; K22-I59 HydrophobicContact CB-CB 4.01Å; K22-I59 HydrophobicContact CB-CD1 4.1Å; K22-I59 HydrophobicContact CB-CG1 4.17Å; K22-I59 HydrophobicContact CD-CD1 4.24Å; K22-I59 PolarHBondContact N-O 3.01Å; K22-I59 PolarHBondContact O-N 3.28Å; K22-E95 IonicContact NZ-OE1 2.74Å; K22-E95 PolarHBondContact NZ-OE1 3.14Å
23	W	97	Very high	95.1	Very high	86 Å²	86	60.7 Å²	60.7	33%	0.326	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.4	177.8	49.6	88.5	0	0	0	110.4	L20 F26 P32 Y57 L58	L20-W23 HydrophobicContact CB-CE3 4.37Å; L20-W23 HydrophobicContact CB-CZ3 4.05Å; W23-F26 AromaticContact CD1-CD1 3.99Å; W23-F26 AromaticContact NE1-CD1 3.71Å; W23-F26 AromaticContact NE1-CE1 3.88Å; W23-P32 HydrophobicContact CB-CG 4.13Å; W23-P32 HydrophobicContact CD2-CB 4Å; W23-P32 HydrophobicContact CD2-CG 3.5Å; W23-P32 HydrophobicContact CE3-CB 3.96Å; W23-P32 HydrophobicContact CE3-CG 3.98Å; W23-P32 HydrophobicContact CG-CB 4.27Å; W23-P32 HydrophobicContact CG-CG 3.55Å; W23-P32 HydrophobicContact CZ2-CG 4.38Å; W23-P32 HydrophobicContact CZ3-CB 4.47Å; W23-Y57 VanDerWaalsContact CA-O 3.31Å; W23-Y57 WeakPolarHBondContact CA-O 3.33Å; W23-L58 HydrophobicContact CB-CD2 3.51Å
24	S	95.8	Very high	95.6	Very high	41 Å²	41	59.8 Å²	59.8	29%	0.287	31%	0.314	S	S	.	.	S	Bend	trans	-77	-58.4	178.5	52.6	0	0	0	0	112.8	Q56 Y57	S24-Q56 VanDerWaalsContact OG-CA 3.3Å; S24-Q56 WeakPolarHBondContact OG-CA 3.21Å; S24-Q56 PolarHBondContact OG-OE1 3.37Å; S24-Y57 PolarHBondContact N-O 3.38Å; S24-Y57 PolarHBondContact OG-N 2.99Å; S24-Y57 PolarHBondContact OG-O 3.19Å
25	S	95.4	Very high	95.8	Very high	16 Å²	16	54.4 Å²	54.4	11%	0.112	29%	0.294	C	S	.	.			trans	-156.1	167	-175.7	70.7	0	0	0	0	109.8	W47 E50 Q56	S25-W47 PolarHBondContact O-NE1 2.85Å; S25-E50 PolarHBondContact OG-N 2.9Å; S25-Q56 PolarHBondContact OG-OE1 2.85Å
26	F	95.7	Very high	95.8	Very high	84 Å²	84	52.9 Å²	52.9	37%	0.368	29%	0.286	S	S	.	.			trans	-149.9	153.6	168.3	62.8	-89.2	0	0	0	110.6	W23 L31 P32 S48	W23-F26 AromaticContact CD1-CD1 3.99Å; W23-F26 AromaticContact NE1-CD1 3.71Å; W23-F26 AromaticContact NE1-CE1 3.88Å; F26-L31 HydrophobicContact CD2-CD2 3.76Å; F26-L31 HydrophobicContact CE2-CD2 3.56Å; F26-L31 HydrophobicContact CZ-CD2 4.19Å; F26-P32 HydrophobicContact CB-CG 4.47Å; F26-P32 HydrophobicContact CD1-CG 4.41Å; F26-S48 CarbonylContact C-O 3.51Å; F26-S48 WeakPolarHBondContact CA-O 3.3Å
27	S	91.7	Very high	95.7	Very high	37 Å²	37	56.3 Å²	56.3	26%	0.259	31%	0.307	S	S	.	.			trans	-102.4	124.8	178.3	-176.2	0	0	0	0	111.4	T29 Y30 S48	S27-T29 PolarHBondContact O-N 3.31Å; S27-Y30 WeakPolarHBondContact O-CB 3.44Å; S27-Y30 VanDerWaalsContact O-CD2 3.27Å; S27-Y30 WeakPolarHBondContact O-CD2 3.29Å; S27-Y30 PolarHBondContact O-N 2.86Å; S27-S48 PolarHBondContact N-O 2.63Å
28	S	88.1	Confident	95.6	Very high	92 Å²	92	55.3 Å²	55.3	64%	0.643	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	-122.8	168.5	-172.6	0	0	0	0	112.7	Y30	S28-Y30 VanDerWaalsContact C-N 3.35Å
29	T	89.8	Confident	95.5	Very high	90 Å²	90	59 Å²	59	55%	0.552	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.2	179.4	57.9	0	0	0	0	114.2	S27 L31 N34	S27-T29 PolarHBondContact O-N 3.31Å; T29-L31 PolarHBondContact O-N 3.48Å; T29-N34 PolarHBondContact O-ND2 3.19Å
30	Y	94.5	Very high	95.4	Very high	57 Å²	57	58.4 Å²	58.4	22%	0.224	31%	0.306	C	S	.	.			trans	-85.9	61.5	-179.6	-53.7	-63.5	0	0	0	111.4	S27 S28 R46 W47 S48	S27-Y30 WeakPolarHBondContact O-CB 3.44Å; S27-Y30 VanDerWaalsContact O-CD2 3.27Å; S27-Y30 WeakPolarHBondContact O-CD2 3.29Å; S27-Y30 PolarHBondContact O-N 2.86Å; S28-Y30 VanDerWaalsContact C-N 3.35Å; Y30-R46 CarbonylContact C-O 3.51Å; Y30-R46 VanDerWaalsContact C-O 3.32Å; Y30-R46 VanDerWaalsContact CA-O 3.25Å; Y30-R46 WeakPolarHBondContact CA-O 3.48Å; Y30-R46 WeakPolarHBondContact CB-O 3.38Å; Y30-R46 HydrophobicContact CD1-CG 3.51Å; Y30-R46 HydrophobicContact CE1-CG 4.14Å; Y30-R46 VanDerWaalsContact CE1-NE 3.25Å; Y30-R46 HydrophobicContact CG-CG 4.18Å; Y30-R46 VanDerWaalsContact CZ-NH2 3.33Å; Y30-R46 PolarHBondContact OH-NH2 3.04Å; Y30-W47 WeakPolarHBondContact O-CA 3.3Å; Y30-S48 PolarHBondContact O-N 3.13Å; Y30-S48 VanDerWaalsContact O-N 3.16Å
31	L	96.5	Very high	95.3	Very high	69 Å²	69	62.9 Å²	62.9	36%	0.361	33%	0.33	S	S	.	.			trans	-65.9	150.2	-174.3	-60.7	177	0	0	0	112.4	F26 T29 E33 N34 W47	F26-L31 HydrophobicContact CD2-CD2 3.76Å; F26-L31 HydrophobicContact CE2-CD2 3.56Å; F26-L31 HydrophobicContact CZ-CD2 4.19Å; T29-L31 PolarHBondContact O-N 3.48Å; L31-E33 WeakPolarHBondContact CB-OE2 3.36Å; L31-E33 PolarHBondContact O-N 3.14Å; L31-N34 PolarHBondContact N-ND2 3.08Å; L31-N34 WeakPolarHBondContact O-CB 3.29Å; L31-N34 PolarHBondContact O-N 3.22Å; L31-N34 PolarHBondContact O-ND2 3.38Å; L31-W47 WeakPolarHBondContact O-CA 3.32Å
32	P	97	Very high	95.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-52.6	-36.9	174.9	-27.4	36.1	0	0	0	114.2	L20 W23 F26 N34 I35 L58	L20-P32 HydrophobicContact CD1-CB 3.9Å; L20-P32 HydrophobicContact CG-CB 4.03Å; W23-P32 HydrophobicContact CB-CG 4.13Å; W23-P32 HydrophobicContact CD2-CB 4Å; W23-P32 HydrophobicContact CD2-CG 3.5Å; W23-P32 HydrophobicContact CE3-CB 3.96Å; W23-P32 HydrophobicContact CE3-CG 3.98Å; W23-P32 HydrophobicContact CG-CB 4.27Å; W23-P32 HydrophobicContact CG-CG 3.55Å; W23-P32 HydrophobicContact CZ2-CG 4.38Å; W23-P32 HydrophobicContact CZ3-CB 4.47Å; F26-P32 HydrophobicContact CB-CG 4.47Å; F26-P32 HydrophobicContact CD1-CG 4.41Å; P32-N34 PolarHBondContact O-N 3.21Å; P32-I35 WeakPolarHBondContact O-CG1 3.32Å; P32-I35 PolarHBondContact O-N 3.21Å; P32-L58 HydrophobicContact CB-CD2 4.04Å; P32-L58 HydrophobicContact CG-CD2 4.46Å
33	E	96.7	Very high	94.9	Very high	82 Å²	82	62.5 Å²	62.5	38%	0.383	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.4	-18.9	-176.4	-63	76.8	-168.8	0	0	113.3	L31 I35 L36	L31-E33 WeakPolarHBondContact CB-OE2 3.36Å; L31-E33 PolarHBondContact O-N 3.14Å; E33-I35 PolarHBondContact O-N 3.48Å; E33-I35 VanDerWaalsContact O-N 3.12Å; E33-L36 HydrophobicContact CB-CD1 4.41Å; E33-L36 WeakPolarHBondContact O-CB 3.29Å; E33-L36 WeakPolarHBondContact O-CG 3.32Å; E33-L36 PolarHBondContact O-N 3.02Å; E33-L36 VanDerWaalsContact O-N 3.16Å
34	N	97	Very high	94.7	Very high	42 Å²	42	60.9 Å²	60.9	23%	0.225	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-63.2	-19.4	-179.4	-70.3	-23.2	0	0	0	113.1	T29 L31 P32 L36 S44 R46	T29-N34 PolarHBondContact O-ND2 3.19Å; L31-N34 PolarHBondContact N-ND2 3.08Å; L31-N34 WeakPolarHBondContact O-CB 3.29Å; L31-N34 PolarHBondContact O-N 3.22Å; L31-N34 PolarHBondContact O-ND2 3.38Å; P32-N34 PolarHBondContact O-N 3.21Å; N34-L36 PolarHBondContact O-N 2.97Å; N34-S44 PolarHBondContact ND2-O 3.49Å; N34-S44 VanDerWaalsContact ND2-O 3.17Å; N34-R46 VanDerWaalsContact CB-C 3.45Å; N34-R46 WeakPolarHBondContact CB-O 3.22Å; N34-R46 PolarHBondContact ND2-O 3.25Å
35	I	97.6	Very high	94.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-73.4	-10.4	178.6	75.7	171	0	0	0	113.7	Y18 L20 P32 E33 V37 W47 L58 L60 I147 Y149 V150	Y18-I35 HydrophobicContact CE2-CD1 4.36Å; L20-I35 HydrophobicContact CD1-CD1 3.98Å; L20-I35 HydrophobicContact CD1-CG1 4.45Å; L20-I35 HydrophobicContact CD2-CD1 4.21Å; L20-I35 HydrophobicContact CD2-CG1 4.01Å; P32-I35 WeakPolarHBondContact O-CG1 3.32Å; P32-I35 PolarHBondContact O-N 3.21Å; E33-I35 PolarHBondContact O-N 3.48Å; E33-I35 VanDerWaalsContact O-N 3.12Å; I35-V37 VanDerWaalsContact C-N 3.32Å; I35-W47 HydrophobicContact CG2-CB 3.67Å; I35-L58 HydrophobicContact CD1-CD1 3.78Å; I35-L58 HydrophobicContact CG2-CD1 4.26Å; I35-L60 HydrophobicContact CD1-CD2 3.81Å; I35-I147 HydrophobicContact CB-CG2 4.32Å; I35-I147 HydrophobicContact CG2-CB 4.06Å; I35-I147 HydrophobicContact CG2-CG2 3.76Å; I35-I147 WeakPolarHBondContact CG2-O 3.47Å; I35-Y149 WeakPolarHBondContact O-CA 3.47Å; I35-Y149 VanDerWaalsContact O-CD2 3.24Å; I35-Y149 WeakPolarHBondContact O-CD2 3.47Å; I35-V150 HydrophobicContact CB-CG2 4.49Å; I35-V150 HydrophobicContact CD1-CB 4.12Å; I35-V150 HydrophobicContact CD1-CG2 3.95Å; I35-V150 PolarHBondContact O-N 3.06Å
36	L	96.9	Very high	94.7	Very high	73 Å²	73	59.2 Å²	59.2	38%	0.382	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-75.8	-20.9	-175.8	-66.2	172.6	0	0	0	113	Y18 L20 E33 N34	Y18-L36 HydrophobicContact CD2-CD2 4.02Å; Y18-L36 HydrophobicContact CE2-CD2 3.41Å; Y18-L36 VanDerWaalsContact CE2-CD2 3.41Å; L20-L36 HydrophobicContact CD2-CD1 4.06Å; L20-L36 HydrophobicContact CD2-CD2 3.67Å; L20-L36 HydrophobicContact CD2-CG 3.74Å; E33-L36 HydrophobicContact CB-CD1 4.41Å; E33-L36 WeakPolarHBondContact O-CB 3.29Å; E33-L36 WeakPolarHBondContact O-CG 3.32Å; E33-L36 PolarHBondContact O-N 3.02Å; E33-L36 VanDerWaalsContact O-N 3.16Å; N34-L36 PolarHBondContact O-N 2.97Å
37	V	95.7	Very high	94.8	Very high	77 Å²	77	55.2 Å²	55.2	47%	0.467	30%	0.302	S	S	.	.	S	Bend	trans	-127.2	124.8	-175	-170.4	0	0	0	0	109.5	I35 K39	I35-V37 VanDerWaalsContact C-N 3.32Å; V37-K39 HydrophobicContact CG1-CD 4.44Å; V37-K39 HydrophobicContact CG1-CG 3.99Å; V37-K39 PolarHBondContact O-N 3.13Å
38	D	96	Very high	95.1	Very high	45 Å²	45	53.7 Å²	53.7	24%	0.241	29%	0.291	C	S	.	.			trans	-77.9	104.7	177.7	-173.6	41.6	0	0	0	111.2	K112 Y149	D38-K112 WeakPolarHBondContact OD2-CE 3.29Å; D38-K112 IonicContact OD2-NZ 2.71Å; D38-K112 PolarHBondContact OD2-NZ 3.34Å; D38-Y149 HydrophobicContact CB-CD1 3.88Å; D38-Y149 HydrophobicContact CB-CD2 3.68Å; D38-Y149 HydrophobicContact CB-CE1 4.09Å; D38-Y149 HydrophobicContact CB-CE2 3.88Å; D38-Y149 HydrophobicContact CB-CG 3.65Å
39	K	96.2	Very high	95.5	Very high	110 Å²	110	49.3 Å²	49.3	48%	0.478	26%	0.261	S	S	.	.			trans	-126.8	74.9	176.2	-61.5	179.8	-179.8	174.1	0	110.3	V37 N41 D42	V37-K39 HydrophobicContact CG1-CD 4.44Å; V37-K39 HydrophobicContact CG1-CG 3.99Å; V37-K39 PolarHBondContact O-N 3.13Å; K39-N41 PolarHBondContact O-N 3.09Å; K39-D42 HydrophobicContact CB-CB 3.98Å; K39-D42 PolarHBondContact O-N 3.34Å
40	P	93.6	Very high	95.7	Very high	44 Å²	44	51.6 Å²	51.6	29%	0.286	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.4	-175.1	23.1	-34.6	0	0	0	113.6	K75 Y76 E77	P40-K75 WeakPolarHBondContact CB-O 3.5Å; P40-Y76 WeakPolarHBondContact O-CD2 3.43Å; P40-Y76 WeakPolarHBondContact O-CE2 3.38Å; P40-E77 WeakPolarHBondContact O-CG 3.38Å; P40-E77 PolarHBondContact O-N 2.83Å
41	N	95.2	Very high	95.6	Very high	121 Å²	121	50.6 Å²	50.6	65%	0.647	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.5	-178.9	-54.7	-10.6	0	0	0	113.4	K39 E77	K39-N41 PolarHBondContact O-N 3.09Å; N41-E77 PolarHBondContact OD1-OE2 3.49Å
42	D	94.4	Very high	95.3	Very high	59 Å²	59	49.5 Å²	49.5	32%	0.316	26%	0.261	S	S	.	.			trans	-112.1	104.8	-178.3	-177.6	-6.9	0	0	0	110.2	K39 S44 S45	K39-D42 HydrophobicContact CB-CB 3.98Å; K39-D42 PolarHBondContact O-N 3.34Å; D42-S44 PolarHBondContact O-N 3.39Å; D42-S44 VanDerWaalsContact O-N 3.12Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.21Å; D42-S44 PolarHBondContact OD1-OG 3.31Å; D42-S44 PolarHBondContact OD2-OG 2.96Å; D42-S45 WeakPolarHBondContact O-CB 3.08Å; D42-S45 PolarHBondContact O-N 2.96Å
43	Q	92.2	Very high	95	Very high	86 Å²	86	57.9 Å²	57.9	40%	0.402	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.2	-178.7	-166.1	178.4	14.2	0	0	113.1	Y76 W148	Q43-Y76 HydrophobicContact CB-CD2 4.39Å; Q43-Y76 HydrophobicContact CB-CE2 3.77Å; Q43-Y76 HydrophobicContact CG-CE1 4.5Å; Q43-Y76 HydrophobicContact CG-CE2 4.35Å; Q43-W148 HydrophobicContact CG-CH2 4.35Å; Q43-W148 HydrophobicContact CG-CZ3 4.42Å
44	S	93.2	Very high	94.6	Very high	53 Å²	53	58 Å²	58	37%	0.371	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-18.1	177.7	75.3	0	0	0	0	113.1	N34 D42 R46	N34-S44 PolarHBondContact ND2-O 3.49Å; N34-S44 VanDerWaalsContact ND2-O 3.17Å; D42-S44 PolarHBondContact O-N 3.39Å; D42-S44 VanDerWaalsContact O-N 3.12Å; D42-S44 WeakPolarHBondContact OD1-CB 3.48Å; D42-S44 PolarHBondContact OD1-N 3.21Å; D42-S44 PolarHBondContact OD1-OG 3.31Å; D42-S44 PolarHBondContact OD2-OG 2.96Å; S44-R46 PolarHBondContact O-N 3.46Å
45	S	95.3	Very high	94.4	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.049	32%	0.322	C	S	.	.	S	Bend	trans	-78.1	67.6	179.5	-162.6	0	0	0	0	111.7	D42	D42-S45 WeakPolarHBondContact O-CB 3.08Å; D42-S45 PolarHBondContact O-N 2.96Å
46	R	96.4	Very high	94.3	Very high	14 Å²	14	61.4 Å²	61.4	5%	0.053	33%	0.325	C	S	.	.	S	Bend	trans	-153	155.2	173.3	66.4	-174.4	-179	-172.5	-5	111.3	Y30 N34 S44 H80 I147 W148	Y30-R46 CarbonylContact C-O 3.51Å; Y30-R46 VanDerWaalsContact C-O 3.32Å; Y30-R46 VanDerWaalsContact CA-O 3.25Å; Y30-R46 WeakPolarHBondContact CA-O 3.48Å; Y30-R46 WeakPolarHBondContact CB-O 3.38Å; Y30-R46 HydrophobicContact CD1-CG 3.51Å; Y30-R46 HydrophobicContact CE1-CG 4.14Å; Y30-R46 VanDerWaalsContact CE1-NE 3.25Å; Y30-R46 HydrophobicContact CG-CG 4.18Å; Y30-R46 VanDerWaalsContact CZ-NH2 3.33Å; Y30-R46 PolarHBondContact OH-NH2 3.04Å; N34-R46 VanDerWaalsContact CB-C 3.45Å; N34-R46 WeakPolarHBondContact CB-O 3.22Å; N34-R46 PolarHBondContact ND2-O 3.25Å; S44-R46 PolarHBondContact O-N 3.46Å; R46-H80 PolarHBondContact NH1-CE1 2.95Å; R46-H80 PolarHBondContact NH1-NE2 3.16Å; R46-I147 CarbonylContact C-O 3.6Å; R46-I147 WeakPolarHBondContact CA-O 3.5Å; R46-I147 WeakPolarHBondContact CB-O 3.5Å; R46-W148 HydrophobicContact CB-CD2 3.98Å; R46-W148 HydrophobicContact CB-CE3 3.6Å; R46-W148 HydrophobicContact CB-CG 4.46Å; R46-W148 HydrophobicContact CB-CZ3 4.08Å; R46-W148 VanDerWaalsContact CD-CZ3 3.46Å; R46-W148 HydrophobicContact CG-CE3 4.22Å; R46-W148 HydrophobicContact CG-CZ3 4.18Å
47	W	97.6	Very high	94.3	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.3	153.2	170.9	69.8	0	0	0	109	S25 Y30 L31 I35 Q56 L58 P135 F145 S146 I147	S25-W47 PolarHBondContact O-NE1 2.85Å; Y30-W47 WeakPolarHBondContact O-CA 3.3Å; L31-W47 WeakPolarHBondContact O-CA 3.32Å; I35-W47 HydrophobicContact CG2-CB 3.67Å; W47-Q56 HydrophobicContact CH2-CB 4.4Å; W47-L58 HydrophobicContact CB-CD1 4.16Å; W47-L58 HydrophobicContact CD2-CD1 3.75Å; W47-L58 HydrophobicContact CD2-CD2 3.82Å; W47-L58 HydrophobicContact CD2-CG 3.89Å; W47-L58 HydrophobicContact CE3-CD1 3.8Å; W47-L58 HydrophobicContact CE3-CD2 4.47Å; W47-L58 HydrophobicContact CE3-CG 4.04Å; W47-L58 HydrophobicContact CG-CD1 3.94Å; W47-L58 HydrophobicContact CG-CD2 4Å; W47-L58 HydrophobicContact CG-CG 4.36Å; W47-L58 HydrophobicContact CH2-CG 4.36Å; W47-L58 HydrophobicContact CZ2-CD2 4.09Å; W47-L58 HydrophobicContact CZ2-CG 4.26Å; W47-L58 HydrophobicContact CZ3-CD1 4.42Å; W47-L58 HydrophobicContact CZ3-CG 4.27Å; W47-P135 HydrophobicContact CH2-CG 4Å; W47-P135 HydrophobicContact CZ3-CG 3.81Å; W47-F145 HydrophobicContact CH2-CB 4.5Å; W47-F145 HydrophobicContact CZ3-CB 4.27Å; W47-S146 VanDerWaalsContact O-CA 3.22Å; W47-S146 WeakPolarHBondContact O-CA 3.43Å; W47-I147 HydrophobicContact CE3-CB 3.96Å; W47-I147 HydrophobicContact CE3-CD1 3.72Å; W47-I147 HydrophobicContact CE3-CG1 3.76Å; W47-I147 HydrophobicContact CZ3-CD1 3.68Å; W47-I147 HydrophobicContact CZ3-CG1 3.95Å; W47-I147 PolarHBondContact N-O 3.04Å; W47-I147 PolarHBondContact O-N 2.89Å
48	S	96.8	Very high	94.4	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.4	167.5	-161.2	0	0	0	0	110.4	F26 S27 Y30 F145 S146	F26-S48 CarbonylContact C-O 3.51Å; F26-S48 WeakPolarHBondContact CA-O 3.3Å; S27-S48 PolarHBondContact N-O 2.63Å; Y30-S48 PolarHBondContact O-N 3.13Å; Y30-S48 VanDerWaalsContact O-N 3.16Å; S48-F145 CarbonylContact C-O 3.19Å; S48-F145 WeakPolarHBondContact CA-O 3.5Å; S48-F145 PolarHBondContact OG-O 3.14Å; S48-S146 PolarHBondContact OG-OG 3.07Å
49	S	96.4	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.			trans	-62.4	155.9	176.4	63	0	0	0	0	111.7	S51 N144 F145	S49-S51 VanDerWaalsContact CB-O 3.3Å; S49-S51 WeakPolarHBondContact CB-O 3.35Å; S49-S51 PolarHBondContact OG-O 3.31Å; S49-N144 WeakPolarHBondContact O-CB 3.27Å; S49-N144 VanDerWaalsContact O-CG 3.3Å; S49-N144 PolarHBondContact O-ND2 3.07Å; S49-F145 PolarHBondContact N-O 2.85Å; S49-F145 WeakPolarHBondContact OG-CD2 3.3Å; S49-F145 PolarHBondContact OG-N 3.12Å
50	E	94.4	Very high	94.6	Very high	138 Å²	138	49.3 Å²	49.3	65%	0.645	26%	0.26	S	S	*	.	S	Bend	trans	-71.8	-33.3	175.4	-173.1	176.1	-159.4	0	0	111.8	S25 N144	S25-E50 PolarHBondContact OG-N 2.9Å; E50-N144 VanDerWaalsContact C-ND2 3.31Å; E50-N144 PolarHBondContact O-ND2 3.16Å
51	S	92.5	Very high	94.9	Very high	37 Å²	37	51 Å²	51	26%	0.259	26%	0.263	S	S	.	.			trans	-136.2	168	176.3	72.7	0	0	0	0	111.8	S49 Y53 Q56 N144	S49-S51 VanDerWaalsContact CB-O 3.3Å; S49-S51 WeakPolarHBondContact CB-O 3.35Å; S49-S51 PolarHBondContact OG-O 3.31Å; S51-Y53 PolarHBondContact OG-N 3.12Å; S51-Q56 PolarHBondContact OG-NE2 3.24Å; S51-N144 VanDerWaalsContact C-OD1 3.25Å; S51-N144 VanDerWaalsContact CA-OD1 3.29Å; S51-N144 WeakPolarHBondContact CA-OD1 3.08Å
52	N	90.5	Very high	95	Very high	46 Å²	46	45.3 Å²	45.3	25%	0.246	23%	0.233	C	C	.	.	S	Bend	trans	-94.4	5.4	171.2	67.8	-18.3	0	0	0	113.1	P141 F143 N144 F145	N52-P141 PolarHBondContact ND2-O 3.13Å; N52-F143 WeakPolarHBondContact CB-O 3.21Å; N52-N144 PolarHBondContact N-OD1 3.32Å; N52-F145 HydrophobicContact CB-CE2 4.41Å; N52-F145 HydrophobicContact CB-CZ 4.26Å; N52-F145 WeakPolarHBondContact O-CE2 3.48Å; N52-F145 VanDerWaalsContact O-CZ 3.32Å; N52-F145 WeakPolarHBondContact O-CZ 3.43Å
53	Y	91	Very high	95.1	Very high	176 Å²	176	48.5 Å²	48.5	69%	0.69	25%	0.246	S	C	*	.	S	Bend	trans	-78.8	123.6	177.3	-75.8	-79	0	0	0	110.5	S51 Q56	S51-Y53 PolarHBondContact OG-N 3.12Å; Y53-Q56 WeakPolarHBondContact O-CG 3.28Å; Y53-Q56 PolarHBondContact O-NE2 3.38Å
54	P	88.4	Confident	95.3	Very high	86 Å²	86	49.9 Å²	49.9	56%	0.558	25%	0.247	S	C	*	.	S	Bend	trans	-68.8	153.9	173.6	28.9	-33.4	0	0	0	111.3
55	P	91.8	Very high	95.5	Very high	98 Å²	98	49.1 Å²	49.1	64%	0.636	24%	0.241	S	C	*	.	P	Polyproline II helix	cis	-82.4	128	0.4	31.9	-32.7	0	0	0	112.2
56	Q	96.2	Very high	95.6	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.065	24%	0.239	C	C	.	.			trans	-110.5	140.3	163.3	-60.8	-59.2	-33.8	0	0	108.6	S24 S25 W47 S51 Y53 P135 F145	S24-Q56 VanDerWaalsContact OG-CA 3.3Å; S24-Q56 WeakPolarHBondContact OG-CA 3.21Å; S24-Q56 PolarHBondContact OG-OE1 3.37Å; S25-Q56 PolarHBondContact OG-OE1 2.85Å; W47-Q56 HydrophobicContact CH2-CB 4.4Å; S51-Q56 PolarHBondContact OG-NE2 3.24Å; Y53-Q56 WeakPolarHBondContact O-CG 3.28Å; Y53-Q56 PolarHBondContact O-NE2 3.38Å; Q56-P135 WeakPolarHBondContact O-CD 3.44Å; Q56-F145 HydrophobicContact CB-CD2 3.62Å; Q56-F145 HydrophobicContact CB-CE2 3.85Å; Q56-F145 HydrophobicContact CG-CD2 3.6Å; Q56-F145 HydrophobicContact CG-CE2 3.58Å
57	Y	97.3	Very high	95.6	Very high	45 Å²	45	48.2 Å²	48.2	18%	0.176	24%	0.237	C	C	.	.			trans	-160.1	157	-177.5	65.7	-93.3	0	0	0	113.8	K22 W23 S24 I59 I133	K22-Y57 HydrophobicContact CG-CE2 4.21Å; W23-Y57 VanDerWaalsContact CA-O 3.31Å; W23-Y57 WeakPolarHBondContact CA-O 3.33Å; S24-Y57 PolarHBondContact N-O 3.38Å; S24-Y57 PolarHBondContact OG-N 2.99Å; S24-Y57 PolarHBondContact OG-O 3.19Å; Y57-I59 HydrophobicContact CD2-CD1 4.19Å; Y57-I59 HydrophobicContact CD2-CG1 3.7Å; Y57-I59 HydrophobicContact CE2-CD1 3.96Å; Y57-I59 HydrophobicContact CE2-CG1 3.88Å; Y57-I133 CarbonylContact C-O 3.6Å; Y57-I133 WeakPolarHBondContact CA-O 3.4Å; Y57-I133 WeakPolarHBondContact CB-O 3.47Å
58	L	98	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.5	161.3	-64.5	-178.1	0	0	0	108.8	L20 W23 P32 I35 W47 L60 K132 I133 I147	L20-L58 HydrophobicContact CD1-CD1 4.45Å; L20-L58 HydrophobicContact CD1-CD2 4.34Å; W23-L58 HydrophobicContact CB-CD2 3.51Å; P32-L58 HydrophobicContact CB-CD2 4.04Å; P32-L58 HydrophobicContact CG-CD2 4.46Å; I35-L58 HydrophobicContact CD1-CD1 3.78Å; I35-L58 HydrophobicContact CG2-CD1 4.26Å; W47-L58 HydrophobicContact CB-CD1 4.16Å; W47-L58 HydrophobicContact CD2-CD1 3.75Å; W47-L58 HydrophobicContact CD2-CD2 3.82Å; W47-L58 HydrophobicContact CD2-CG 3.89Å; W47-L58 HydrophobicContact CE3-CD1 3.8Å; W47-L58 HydrophobicContact CE3-CD2 4.47Å; W47-L58 HydrophobicContact CE3-CG 4.04Å; W47-L58 HydrophobicContact CG-CD1 3.94Å; W47-L58 HydrophobicContact CG-CD2 4Å; W47-L58 HydrophobicContact CG-CG 4.36Å; W47-L58 HydrophobicContact CH2-CG 4.36Å; W47-L58 HydrophobicContact CZ2-CD2 4.09Å; W47-L58 HydrophobicContact CZ2-CG 4.26Å; W47-L58 HydrophobicContact CZ3-CD1 4.42Å; W47-L58 HydrophobicContact CZ3-CG 4.27Å; L58-L60 HydrophobicContact CB-CD2 4.41Å; L58-K132 CarbonylContact O-C 3.58Å; L58-K132 VanDerWaalsContact O-CA 3.29Å; L58-K132 WeakPolarHBondContact O-CA 3.26Å; L58-I133 PolarHBondContact N-O 2.84Å; L58-I133 PolarHBondContact O-N 3.2Å; L58-I147 HydrophobicContact CD1-CD1 3.85Å; L58-I147 HydrophobicContact CG-CD1 4.43Å
59	I	98.2	Very high	95.5	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.9	170.2	-53	-171.5	0	0	0	107.8	H21 K22 Y57 M98 F130 I131 K132	H21-I59 WeakPolarHBondContact CA-O 3.48Å; H21-I59 HydrophobicContact CB-CG2 4.45Å; H21-I59 WeakPolarHBondContact CB-O 3.39Å; H21-I59 PolarHBondContact N-O 3.13Å; K22-I59 HydrophobicContact CB-CB 4.01Å; K22-I59 HydrophobicContact CB-CD1 4.1Å; K22-I59 HydrophobicContact CB-CG1 4.17Å; K22-I59 HydrophobicContact CD-CD1 4.24Å; K22-I59 PolarHBondContact N-O 3.01Å; K22-I59 PolarHBondContact O-N 3.28Å; Y57-I59 HydrophobicContact CD2-CD1 4.19Å; Y57-I59 HydrophobicContact CD2-CG1 3.7Å; Y57-I59 HydrophobicContact CE2-CD1 3.96Å; Y57-I59 HydrophobicContact CE2-CG1 3.88Å; I59-M98 HydrophobicContact CG2-CE 4.12Å; I59-F130 HydrophobicContact CG2-CB 4.28Å; I59-F130 HydrophobicContact CG2-CD1 4.08Å; I59-I131 CarbonylContact C-O 3.54Å; I59-I131 WeakPolarHBondContact CA-O 3.27Å; I59-K132 HydrophobicContact CD1-CD 4.34Å; I59-K132 HydrophobicContact CG1-CB 4.18Å; I59-K132 HydrophobicContact CG1-CD 4.35Å; I59-K132 HydrophobicContact CG1-CG 4.01Å
60	L	98.3	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.8	175.8	-42.6	-176.1	0	0	0	108	Y18 A19 L20 I35 L58 F130 I131 I133 V150 L152	Y18-L60 HydrophobicContact CD2-CB 3.78Å; Y18-L60 HydrophobicContact CD2-CD1 3.98Å; Y18-L60 HydrophobicContact CD2-CD2 4.06Å; Y18-L60 HydrophobicContact CD2-CG 4.14Å; Y18-L60 HydrophobicContact CE2-CB 4.33Å; Y18-L60 HydrophobicContact CE2-CD1 3.79Å; Y18-L60 HydrophobicContact CE2-CD2 3.82Å; Y18-L60 HydrophobicContact CE2-CG 4.18Å; Y18-L60 HydrophobicContact CG-CB 4.31Å; Y18-L60 HydrophobicContact CG-CD1 4.47Å; A19-L60 WeakPolarHBondContact O-CA 3.27Å; L20-L60 HydrophobicContact CD1-CD2 3.68Å; I35-L60 HydrophobicContact CD1-CD2 3.81Å; L58-L60 HydrophobicContact CB-CD2 4.41Å; L60-F130 CarbonylContact O-C 3.32Å; L60-F130 VanDerWaalsContact O-CA 3.26Å; L60-F130 WeakPolarHBondContact O-CA 3.18Å; L60-I131 HydrophobicContact CB-CB 4.33Å; L60-I131 PolarHBondContact N-O 2.77Å; L60-I131 PolarHBondContact O-N 3.44Å; L60-I133 HydrophobicContact CD1-CD1 4.03Å; L60-V150 HydrophobicContact CD1-CG1 3.87Å; L60-L152 HydrophobicContact CD1-CD1 4.11Å
61	K	98.4	Very high	95.4	Very high	80 Å²	80	44.8 Å²	44.8	35%	0.348	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.5	173.2	179.1	-178.5	-176	-179.4	0	108.4	Y18 A19 H21 F130	Y18-K61 CarbonylContact C-O 3.47Å; Y18-K61 WeakPolarHBondContact CA-O 3.45Å; A19-K61 PolarHBondContact N-O 2.65Å; A19-K61 PolarHBondContact O-N 2.99Å; H21-K61 HydrophobicContact CB-CB 3.64Å; K61-F130 HydrophobicContact CB-CD1 3.95Å; K61-F130 HydrophobicContact CB-CE1 3.9Å; K61-F130 HydrophobicContact CD-CE1 3.83Å; K61-F130 HydrophobicContact CD-CZ 4.31Å; K61-F130 HydrophobicContact CG-CD1 4.13Å; K61-F130 HydrophobicContact CG-CE1 3.72Å; K61-F130 HydrophobicContact CG-CZ 4.35Å
62	L	98.2	Very high	95.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	152.1	174.7	-59.8	176.2	0	0	0	110	L16 R64 A66 V68 C128 R129 L152	L16-L62 HydrophobicContact CB-CD2 4.24Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 WeakPolarHBondContact CB-O 3.25Å; L62-A66 HydrophobicContact CD1-CB 3.91Å; L62-V68 HydrophobicContact CD1-CG2 3.6Å; L62-C128 WeakPolarHBondContact CD1-O 3.33Å; L62-R129 PolarHBondContact N-O 2.99Å; L62-R129 PolarHBondContact O-NE 3.24Å; L62-R129 PolarHBondContact O-NH2 3.46Å; L62-L152 HydrophobicContact CD2-CD1 3.6Å
63	E	97.1	Very high	95.6	Very high	126 Å²	126	41.3 Å²	41.3	59%	0.589	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	-39	176.3	-172.8	179.4	171.1	0	0	111.8	P17 R129	P17-E63 HydrophobicContact CB-CB 4.25Å; P17-E63 WeakPolarHBondContact CB-OE2 3.48Å; P17-E63 PolarHBondContact O-N 3.02Å; E63-R129 VanDerWaalsContact C-NH1 3.28Å; E63-R129 PolarHBondContact O-NH1 3.44Å; E63-R129 PolarHBondContact O-NH2 3.2Å
64	R	95.7	Very high	95.8	Very high	115 Å²	115	33 Å²	33	43%	0.434	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.1	174.7	-67.9	-176.5	-68.6	-166.4	-2.5	109.8	L62 A66 D156	L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 WeakPolarHBondContact CB-O 3.25Å; R64-A66 PolarHBondContact O-N 2.95Å; R64-D156 IonicContact CZ-OD2 3.15Å; R64-D156 IonicContact NE-OD2 3.34Å; R64-D156 PolarHBondContact NE-OD2 3.36Å; R64-D156 IonicContact NH2-OD2 3.63Å; R64-D156 PolarHBondContact NH2-OD2 3.5Å
65	P	96.5	Very high	96	Very high	37 Å²	37	29 Å²	29	24%	0.24	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	138.9	166.9	-19.7	33.4	0	0	0	109.7	M93 C128 V161	P65-M93 HydrophobicContact CB-CE 4.09Å; P65-M93 HydrophobicContact CB-SD 4.33Å; P65-M93 HydrophobicContact CG-CE 4.08Å; P65-C128 WeakPolarHBondContact CA-O 3.44Å; P65-V161 HydrophobicContact CB-CG1 4.13Å
66	A	97.8	Very high	96.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154	-176.7	0	0	0	0	0	111.4	L16 L62 R64 V68 P127 C128 I155 D156	L16-A66 HydrophobicContact CD1-CB 3.8Å; L16-A66 HydrophobicContact CD2-CB 3.86Å; L16-A66 HydrophobicContact CG-CB 4.45Å; L62-A66 HydrophobicContact CD1-CB 3.91Å; R64-A66 PolarHBondContact O-N 2.95Å; A66-V68 PolarHBondContact O-N 3.46Å; A66-P127 CarbonylContact O-C 3.5Å; A66-P127 WeakPolarHBondContact O-CA 3.41Å; A66-C128 PolarHBondContact N-O 3.17Å; A66-C128 PolarHBondContact O-N 2.98Å; A66-I155 CarbonylContact C-O 3.51Å; A66-I155 VanDerWaalsContact CA-O 3.3Å; A66-I155 WeakPolarHBondContact CA-O 3.24Å; A66-I155 WeakPolarHBondContact CB-O 3.41Å; A66-D156 HydrophobicContact CB-CB 3.66Å
67	I	97.4	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	102.2	164.2	-48.1	-52.8	0	0	0	106.9	Q69 H119 M125 F126 P127 G154 I155 V161 C164	I67-Q69 HydrophobicContact CG2-CG 4.35Å; I67-Q69 PolarHBondContact O-N 3.2Å; I67-H119 HydrophobicContact CG2-CB 3.92Å; I67-M125 HydrophobicContact CD1-CB 3.95Å; I67-M125 HydrophobicContact CG1-CB 4.18Å; I67-M125 HydrophobicContact CG1-SD 4.35Å; I67-M125 HydrophobicContact CG2-CB 4.05Å; I67-M125 HydrophobicContact CG2-CG 4.27Å; I67-M125 HydrophobicContact CG2-SD 4.02Å; I67-F126 VanDerWaalsContact CD1-C 3.42Å; I67-F126 WeakPolarHBondContact CD1-O 3.35Å; I67-P127 HydrophobicContact CD1-CB 3.97Å; I67-G154 CarbonylContact O-C 3.51Å; I67-G154 VanDerWaalsContact O-CA 3.24Å; I67-G154 WeakPolarHBondContact O-CA 3.16Å; I67-I155 HydrophobicContact CB-CB 4.24Å; I67-I155 HydrophobicContact CG1-CB 4.46Å; I67-I155 PolarHBondContact N-O 2.96Å; I67-I155 PolarHBondContact O-N 2.72Å; I67-V161 HydrophobicContact CG1-CG2 4.37Å; I67-C164 HydrophobicContact CD1-CB 3.96Å
68	V	97.5	Very high	95.5	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.8	-179	-170.1	0	0	0	0	108.9	L16 L62 A66 L117 H119 C128 I131 L152	L16-V68 HydrophobicContact CD1-CB 4.38Å; L16-V68 HydrophobicContact CD1-CG1 4.32Å; L16-V68 HydrophobicContact CD1-CG2 3.96Å; L62-V68 HydrophobicContact CD1-CG2 3.6Å; A66-V68 PolarHBondContact O-N 3.46Å; V68-L117 HydrophobicContact CB-CD1 4.42Å; V68-L117 HydrophobicContact CG1-CD1 3.64Å; V68-H119 WeakPolarHBondContact O-CB 3.44Å; V68-C128 HydrophobicContact CG2-CB 4.16Å; V68-I131 HydrophobicContact CB-CD1 4.3Å; V68-I131 HydrophobicContact CG1-CD1 4.39Å; V68-I131 HydrophobicContact CG2-CD1 3.99Å; V68-I131 HydrophobicContact CG2-CG1 4.32Å; V68-L152 HydrophobicContact CG1-CB 4.38Å; V68-L152 HydrophobicContact CG1-CD2 4.13Å
69	Q	93.4	Very high	95	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-37.9	-175	-66.7	-179.9	-59.6	0	0	111.9	C13 I67 T116 L117 S153	C13-Q69 PolarHBondContact SG-OE1 2.91Å; I67-Q69 HydrophobicContact CG2-CG 4.35Å; I67-Q69 PolarHBondContact O-N 3.2Å; Q69-T116 CarbonylContact O-C 3.53Å; Q69-T116 WeakPolarHBondContact O-CA 3.22Å; Q69-L117 PolarHBondContact O-N 3.39Å; Q69-S153 PolarHBondContact N-O 3.22Å
70	N	93.6	Very high	94.6	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	-178.3	-47.2	-70.5	0	0	0	112.8	T114 F115 S153	N70-T114 HydrophobicContact CB-CG2 3.9Å; N70-F115 CarbonylContact C-O 3.58Å; N70-F115 VanDerWaalsContact CA-O 3.23Å; N70-F115 WeakPolarHBondContact CA-O 3.28Å; N70-S153 WeakPolarHBondContact CB-OG 3.48Å; N70-S153 PolarHBondContact N-O 3.04Å; N70-S153 PolarHBondContact ND2-OG 3.43Å; N70-S153 PolarHBondContact O-N 2.89Å
71	I	95	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.8	168	-174.6	166.7	0	0	0	109.8	F73 V89 L102 T114 F115 L117 I133 V150 E151 L152	I71-F73 HydrophobicContact CB-CE2 4.48Å; I71-F73 HydrophobicContact CD1-CE1 4.38Å; I71-F73 HydrophobicContact CD1-CE2 3.72Å; I71-F73 HydrophobicContact CD1-CZ 3.54Å; I71-F73 HydrophobicContact CG1-CD2 4.29Å; I71-F73 HydrophobicContact CG1-CE2 3.73Å; I71-F73 HydrophobicContact CG1-CZ 4.03Å; I71-F73 HydrophobicContact CG2-CE2 3.98Å; I71-V89 HydrophobicContact CD1-CG1 4.44Å; I71-V89 HydrophobicContact CD1-CG2 4.27Å; I71-L102 HydrophobicContact CG2-CD2 4.1Å; I71-T114 CarbonylContact O-C 3.51Å; I71-T114 WeakPolarHBondContact O-CA 3.36Å; I71-F115 HydrophobicContact CG2-CB 4Å; I71-F115 HydrophobicContact CG2-CD2 4.48Å; I71-F115 PolarHBondContact N-O 3.48Å; I71-F115 PolarHBondContact O-N 3.3Å; I71-L117 HydrophobicContact CB-CD1 4Å; I71-L117 HydrophobicContact CB-CD2 4.47Å; I71-L117 HydrophobicContact CB-CG 4.33Å; I71-L117 HydrophobicContact CG2-CD1 4.09Å; I71-L117 HydrophobicContact CG2-CD2 3.65Å; I71-L117 HydrophobicContact CG2-CG 3.94Å; I71-I133 HydrophobicContact CD1-CD1 3.95Å; I71-I133 HydrophobicContact CD1-CG1 4.26Å; I71-V150 HydrophobicContact CD1-CG1 3.92Å; I71-V150 HydrophobicContact CG1-CG1 3.94Å; I71-E151 CarbonylContact C-O 3.57Å; I71-E151 WeakPolarHBondContact CA-O 3.4Å; I71-L152 HydrophobicContact CB-CD2 3.86Å; I71-L152 HydrophobicContact CD1-CD2 3.87Å; I71-L152 HydrophobicContact CG1-CD2 3.68Å
72	T	94	Very high	94	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131	177.3	-59.1	0	0	0	0	109.6	K112 E113 T114 V150 E151	T72-K112 HydrophobicContact CG2-CB 4.44Å; T72-E113 CarbonylContact C-O 3.56Å; T72-E113 WeakPolarHBondContact CA-O 3.37Å; T72-T114 WeakPolarHBondContact CG2-OG1 3.48Å; T72-T114 WeakPolarHBondContact OG1-CG2 3.48Å; T72-T114 PolarHBondContact OG1-OG1 3.08Å; T72-V150 CarbonylContact O-C 3.48Å; T72-V150 WeakPolarHBondContact O-CA 3.31Å; T72-E151 PolarHBondContact N-O 3.44Å; T72-E151 PolarHBondContact O-N 3.3Å
73	F	95.1	Very high	93.7	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.5	173.2	-68.7	-90.4	0	0	0	110	I71 F87 L106 K112 E113 F115 I133 I147 Y149 V150	I71-F73 HydrophobicContact CB-CE2 4.48Å; I71-F73 HydrophobicContact CD1-CE1 4.38Å; I71-F73 HydrophobicContact CD1-CE2 3.72Å; I71-F73 HydrophobicContact CD1-CZ 3.54Å; I71-F73 HydrophobicContact CG1-CD2 4.29Å; I71-F73 HydrophobicContact CG1-CE2 3.73Å; I71-F73 HydrophobicContact CG1-CZ 4.03Å; I71-F73 HydrophobicContact CG2-CE2 3.98Å; F73-F87 HydrophobicContact CD2-CZ 4.32Å; F73-F87 AromaticContact CE2-CE2 3.69Å; F73-F87 HydrophobicContact CE2-CE2 3.69Å; F73-F87 AromaticContact CE2-CZ 3.68Å; F73-F87 HydrophobicContact CE2-CZ 3.68Å; F73-F87 HydrophobicContact CZ-CD2 4.31Å; F73-F87 AromaticContact CZ-CE2 3.73Å; F73-F87 HydrophobicContact CZ-CE2 3.73Å; F73-F87 HydrophobicContact CZ-CZ 4.05Å; F73-L106 HydrophobicContact CB-CD1 4.12Å; F73-L106 HydrophobicContact CB-CD2 3.72Å; F73-L106 HydrophobicContact CD1-CD1 4.25Å; F73-L106 HydrophobicContact CD2-CD2 3.88Å; F73-L106 HydrophobicContact CG-CD1 4.22Å; F73-L106 HydrophobicContact CG-CD2 3.8Å; F73-K112 WeakPolarHBondContact O-CA 3.46Å; F73-E113 PolarHBondContact N-O 3.29Å; F73-E113 PolarHBondContact O-N 3.4Å; F73-F115 AromaticContact CD2-CD2 3.96Å; F73-F115 HydrophobicContact CD2-CD2 3.96Å; F73-F115 AromaticContact CD2-CE2 3.91Å; F73-F115 HydrophobicContact CD2-CE2 3.91Å; F73-F115 HydrophobicContact CE2-CD2 4.19Å; F73-F115 HydrophobicContact CE2-CE2 4.37Å; F73-I133 HydrophobicContact CE1-CD1 4.15Å; F73-I133 HydrophobicContact CE1-CG2 4.36Å; F73-I133 HydrophobicContact CZ-CD1 4.27Å; F73-I133 HydrophobicContact CZ-CG2 4.33Å; F73-I147 HydrophobicContact CD1-CG2 4.28Å; F73-I147 HydrophobicContact CE1-CG2 4.38Å; F73-Y149 WeakPolarHBondContact CA-O 3.33Å; F73-V150 HydrophobicContact CD1-CG2 4.01Å; F73-V150 HydrophobicContact CE1-CG2 3.91Å
74	G	93.5	Very high	93.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	166.3	166.4	0	0	0	0	0	111.6	W148 Y149	G74-W148 WeakPolarHBondContact O-CB 3.5Å; G74-Y149 PolarHBondContact N-O 2.85Å; G74-Y149 VanDerWaalsContact N-O 3.08Å
75	K	92.4	Very high	93.1	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	15%	0.147	C	C	.	.			trans	-141.9	160.5	-177.1	-62.7	-171.6	-169.1	134.5	0	111	P40 K107 D109 N111 E113	P40-K75 WeakPolarHBondContact CB-O 3.5Å; K75-K107 WeakPolarHBondContact CE-O 3.39Å; K75-D109 WeakPolarHBondContact CD-O 3.35Å; K75-D109 IonicContact NZ-OD1 3.07Å; K75-D109 PolarHBondContact NZ-OD1 3.48Å; K75-N111 VanDerWaalsContact CD-O 3.28Å; K75-N111 WeakPolarHBondContact CD-O 3.33Å; K75-N111 VanDerWaalsContact CE-O 3.28Å; K75-N111 WeakPolarHBondContact CE-O 3.14Å; K75-N111 PolarHBondContact NZ-O 3.48Å; K75-E113 WeakPolarHBondContact CE-OE1 3.41Å; K75-E113 VanDerWaalsContact NZ-CD 3.34Å; K75-E113 IonicContact NZ-OE1 3.77Å; K75-E113 PolarHBondContact NZ-OE1 3.45Å
76	Y	94.2	Very high	92.9	Very high	27 Å²	27	31.8 Å²	31.8	11%	0.106	16%	0.156	C	C	.	.			trans	-64.6	149.9	169.3	-171.9	-125.4	0	0	0	111.4	P40 Q43 K78 Y110 W148	P40-Y76 WeakPolarHBondContact O-CD2 3.43Å; P40-Y76 WeakPolarHBondContact O-CE2 3.38Å; Q43-Y76 HydrophobicContact CB-CD2 4.39Å; Q43-Y76 HydrophobicContact CB-CE2 3.77Å; Q43-Y76 HydrophobicContact CG-CE1 4.5Å; Q43-Y76 HydrophobicContact CG-CE2 4.35Å; Y76-K78 HydrophobicContact CD1-CB 3.91Å; Y76-K78 WeakPolarHBondContact CD1-O 3.45Å; Y76-K78 HydrophobicContact CE1-CB 3.85Å; Y76-K78 HydrophobicContact CE1-CD 4.3Å; Y76-K78 HydrophobicContact CE1-CG 4.34Å; Y76-K78 PolarHBondContact O-N 3Å; Y76-Y110 WeakPolarHBondContact O-CA 3.37Å; Y76-Y110 WeakPolarHBondContact O-CB 3.4Å; Y76-W148 HydrophobicContact CD1-CH2 4.33Å; Y76-W148 HydrophobicContact CD2-CH2 4.37Å; Y76-W148 AromaticContact CD2-CZ3 3.96Å; Y76-W148 HydrophobicContact CD2-CZ3 3.96Å; Y76-W148 HydrophobicContact CG-CE3 4.45Å; Y76-W148 AromaticContact CG-CH2 3.85Å; Y76-W148 HydrophobicContact CG-CH2 3.85Å; Y76-W148 HydrophobicContact CG-CZ2 4.45Å; Y76-W148 AromaticContact CG-CZ3 3.86Å; Y76-W148 HydrophobicContact CG-CZ3 3.86Å
77	E	91.1	Very high	92.7	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-57.6	-15.5	180	58	159	-151	0	0	114.2	P40 N41 Y110	P40-E77 WeakPolarHBondContact O-CG 3.38Å; P40-E77 PolarHBondContact O-N 2.83Å; N41-E77 PolarHBondContact OD1-OE2 3.49Å; E77-Y110 WeakPolarHBondContact O-CB 3.27Å
78	K	89.6	Confident	92.7	Very high	124 Å²	124	34.6 Å²	34.6	54%	0.539	17%	0.168	S	C	.	.	S	Bend	trans	-124.7	149.4	176.6	-64.2	168.8	-168.9	164.3	0	110.5	Y76 H80	Y76-K78 HydrophobicContact CD1-CB 3.91Å; Y76-K78 WeakPolarHBondContact CD1-O 3.45Å; Y76-K78 HydrophobicContact CE1-CB 3.85Å; Y76-K78 HydrophobicContact CE1-CD 4.3Å; Y76-K78 HydrophobicContact CE1-CG 4.34Å; Y76-K78 PolarHBondContact O-N 3Å; K78-H80 PolarHBondContact O-N 2.88Å
79	T	88	Confident	92.6	Very high	85 Å²	85	34.5 Å²	34.5	52%	0.521	17%	0.167	S	C	.	.			trans	-47.2	131.9	168	-68.6	0	0	0	0	111.3	N108	T79-N108 HydrophobicContact CG2-CB 4.3Å; T79-N108 VanDerWaalsContact CG2-CG 3.45Å; T79-N108 WeakPolarHBondContact CG2-ND2 3.45Å; T79-N108 WeakPolarHBondContact CG2-O 3.47Å; T79-N108 WeakPolarHBondContact CG2-OD1 3.26Å; T79-N108 PolarHBondContact OG1-O 2.92Å
80	H	90.1	Very high	92.9	Very high	28 Å²	28	35.1 Å²	35.1	13%	0.13	17%	0.169	C	C	.	.			trans	-141.1	122.9	-176.2	-162.9	-71.1	0	0	0	111.7	R46 K78 C82 N83 N108 W148	R46-H80 PolarHBondContact NH1-CE1 2.95Å; R46-H80 PolarHBondContact NH1-NE2 3.16Å; K78-H80 PolarHBondContact O-N 2.88Å; H80-C82 PolarHBondContact CE1-SG 3.24Å; H80-C82 WeakPolarHBondContact ND1-CB 3.26Å; H80-C82 PolarHBondContact ND1-N 3.27Å; H80-C82 PolarHBondContact O-N 3.35Å; H80-N83 WeakPolarHBondContact O-CB 3.46Å; H80-N83 PolarHBondContact O-N 3.45Å; H80-N83 PolarHBondContact O-OD1 2.92Å; H80-N108 VanDerWaalsContact C-OD1 3.25Å; H80-N108 PolarHBondContact N-OD1 2.88Å; H80-N108 PolarHBondContact O-OD1 3.09Å; H80-W148 HydrophobicContact CB-CH2 4.45Å; H80-W148 HydrophobicContact CB-CZ2 3.78Å; H80-W148 AromaticContact CD2-CH2 3.85Å; H80-W148 AromaticContact CD2-CZ2 3.92Å; H80-W148 AromaticContact CG-CZ2 3.61Å; H80-W148 AromaticContact ND1-CZ2 3.98Å
81	V	91.2	Very high	93.1	Very high	55 Å²	55	33.4 Å²	33.4	33%	0.333	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.8	-174.3	-67.1	0	0	0	0	115.4	N83 W139 G140 F143	V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 2.98Å; V81-W139 CarbonylContact O-C 3.59Å; V81-W139 WeakPolarHBondContact O-CA 3.49Å; V81-W139 WeakPolarHBondContact O-CB 3.34Å; V81-W139 PolarHBondContact O-N 3.27Å; V81-W139 VanDerWaalsContact O-N 3.08Å; V81-G140 PolarHBondContact O-N 2.99Å; V81-F143 HydrophobicContact CB-CD2 4.25Å; V81-F143 HydrophobicContact CB-CE2 4.44Å; V81-F143 HydrophobicContact CB-CG 4.33Å; V81-F143 HydrophobicContact CG2-CB 4.43Å; V81-F143 HydrophobicContact CG2-CD1 3.48Å; V81-F143 VanDerWaalsContact CG2-CD1 3.48Å; V81-F143 HydrophobicContact CG2-CD2 3.78Å; V81-F143 HydrophobicContact CG2-CE1 3.49Å; V81-F143 VanDerWaalsContact CG2-CE1 3.49Å; V81-F143 HydrophobicContact CG2-CE2 3.79Å; V81-F143 HydrophobicContact CG2-CG 3.61Å; V81-F143 HydrophobicContact CG2-CZ 3.65Å
82	C	92.1	Very high	93.1	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.047	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.8	174.1	-61.2	0	0	0	0	114.9	H80 N144 S146	H80-C82 PolarHBondContact CE1-SG 3.24Å; H80-C82 WeakPolarHBondContact ND1-CB 3.26Å; H80-C82 PolarHBondContact ND1-N 3.27Å; H80-C82 PolarHBondContact O-N 3.35Å; C82-N144 VanDerWaalsContact CB-O 3.24Å; C82-N144 WeakPolarHBondContact CB-O 3.46Å; C82-N144 PolarHBondContact SG-O 2.72Å; C82-N144 VanDerWaalsContact SG-O 3.35Å; C82-S146 WeakPolarHBondContact CB-OG 3.29Å; C82-S146 PolarHBondContact O-N 2.97Å
83	N	92.5	Very high	93.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.167	C	C	.	.	S	Bend	trans	-56	144.5	175.1	-72.8	-0.1	0	0	0	110.3	H80 V81 K85 K107 S138 W139 W148	H80-N83 WeakPolarHBondContact O-CB 3.46Å; H80-N83 PolarHBondContact O-N 3.45Å; H80-N83 PolarHBondContact O-OD1 2.92Å; V81-N83 VanDerWaalsContact C-N 3.28Å; V81-N83 PolarHBondContact O-N 2.98Å; N83-K85 PolarHBondContact O-N 2.87Å; N83-K85 VanDerWaalsContact O-N 3.09Å; N83-K107 PolarHBondContact ND2-O 3.41Å; N83-S138 VanDerWaalsContact O-CA 3.31Å; N83-S138 WeakPolarHBondContact O-CA 3.47Å; N83-W139 PolarHBondContact O-N 3.31Å; N83-W139 VanDerWaalsContact O-N 3.1Å; N83-W148 PolarHBondContact OD1-NE1 2.92Å
84	L	93.2	Very high	93	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	99.3	-173.3	-54.2	-170.6	0	0	0	111.2	K86 F87 G105 L106 P135 L137 F145 I147	L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.35Å; L84-F87 HydrophobicContact CB-CB 4.4Å; L84-F87 HydrophobicContact CB-CD1 3.89Å; L84-F87 HydrophobicContact CD1-CB 3.94Å; L84-F87 HydrophobicContact CD1-CD1 4.22Å; L84-F87 HydrophobicContact CD1-CG 4.16Å; L84-G105 CarbonylContact O-C 3.57Å; L84-L106 HydrophobicContact CB-CD1 4.16Å; L84-L106 HydrophobicContact CB-CG 4.27Å; L84-L106 HydrophobicContact CG-CD1 4.33Å; L84-L106 WeakPolarHBondContact O-CA 3.33Å; L84-L106 WeakPolarHBondContact O-CB 3.45Å; L84-L106 PolarHBondContact O-N 3.1Å; L84-P135 HydrophobicContact CD1-CB 4.35Å; L84-P135 HydrophobicContact CD1-CG 3.99Å; L84-P135 HydrophobicContact CD2-CB 3.85Å; L84-P135 HydrophobicContact CD2-CG 4.02Å; L84-L137 CarbonylContact C-O 3.56Å; L84-F145 HydrophobicContact CD2-CB 3.7Å; L84-F145 HydrophobicContact CD2-CD1 4.04Å; L84-F145 HydrophobicContact CD2-CG 4.26Å; L84-I147 HydrophobicContact CD1-CD1 4.12Å; L84-I147 HydrophobicContact CD1-CG1 3.78Å; L84-I147 HydrophobicContact CG-CG1 4.41Å
85	K	88.3	Confident	92.8	Very high	81 Å²	81	41.6 Å²	41.6	35%	0.352	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-33	172.6	-177.8	175.8	174.1	-172	0	112.9	N83 G105 L137 W139	N83-K85 PolarHBondContact O-N 2.87Å; N83-K85 VanDerWaalsContact O-N 3.09Å; K85-G105 WeakPolarHBondContact O-CA 3.43Å; K85-L137 WeakPolarHBondContact CA-O 3.24Å; K85-L137 HydrophobicContact CB-CB 4.4Å; K85-L137 HydrophobicContact CB-CD2 4.46Å; K85-L137 HydrophobicContact CB-CG 4.26Å; K85-L137 HydrophobicContact CD-CD2 3.75Å; K85-L137 HydrophobicContact CD-CG 4.24Å; K85-L137 HydrophobicContact CG-CD2 4.18Å; K85-L137 PolarHBondContact N-O 3.1Å; K85-W139 HydrophobicContact CB-CD2 4.33Å; K85-W139 HydrophobicContact CB-CG 4.14Å; K85-W139 HydrophobicContact CD-CD2 4.38Å; K85-W139 HydrophobicContact CD-CE3 4.45Å; K85-W139 HydrophobicContact CG-CD2 4.39Å
86	K	91.4	Very high	92.6	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.426	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.9	171.6	-64.4	-170.5	173	-168.4	0	110.3	L84 S104 L136 L137	L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.35Å; K86-S104 CarbonylContact C-O 3.45Å; K86-S104 VanDerWaalsContact CA-O 3.31Å; K86-S104 WeakPolarHBondContact CA-O 3.49Å; K86-L136 HydrophobicContact CB-CB 4.01Å; K86-L136 WeakPolarHBondContact O-CA 3.29Å; K86-L136 PolarHBondContact O-N 3.16Å; K86-L137 HydrophobicContact CB-CB 3.82Å; K86-L137 HydrophobicContact CD-CD2 4.39Å; K86-L137 HydrophobicContact CG-CB 4.15Å; K86-L137 HydrophobicContact CG-CD2 4.38Å; K86-L137 PolarHBondContact N-O 3.08Å; K86-L137 PolarHBondContact O-N 2.67Å
87	F	94.1	Very high	92.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.4	174.1	67.2	-88.1	0	0	0	110.9	F73 L84 V89 L102 S104 L106 F115 V134	F73-F87 HydrophobicContact CD2-CZ 4.32Å; F73-F87 AromaticContact CE2-CE2 3.69Å; F73-F87 HydrophobicContact CE2-CE2 3.69Å; F73-F87 AromaticContact CE2-CZ 3.68Å; F73-F87 HydrophobicContact CE2-CZ 3.68Å; F73-F87 HydrophobicContact CZ-CD2 4.31Å; F73-F87 AromaticContact CZ-CE2 3.73Å; F73-F87 HydrophobicContact CZ-CE2 3.73Å; F73-F87 HydrophobicContact CZ-CZ 4.05Å; L84-F87 HydrophobicContact CB-CB 4.4Å; L84-F87 HydrophobicContact CB-CD1 3.89Å; L84-F87 HydrophobicContact CD1-CB 3.94Å; L84-F87 HydrophobicContact CD1-CD1 4.22Å; L84-F87 HydrophobicContact CD1-CG 4.16Å; F87-V89 HydrophobicContact CD2-CG2 3.93Å; F87-V89 HydrophobicContact CE2-CG2 3.77Å; F87-L102 HydrophobicContact CE2-CD2 3.93Å; F87-L102 HydrophobicContact CZ-CD2 4.31Å; F87-S104 PolarHBondContact N-O 2.76Å; F87-S104 PolarHBondContact O-N 3.35Å; F87-S104 VanDerWaalsContact O-O 3.06Å; F87-L106 HydrophobicContact CD1-CG 4.41Å; F87-L106 HydrophobicContact CE1-CD2 3.91Å; F87-L106 HydrophobicContact CE1-CG 3.8Å; F87-L106 HydrophobicContact CZ-CD2 4.25Å; F87-F115 HydrophobicContact CZ-CD2 4.46Å; F87-F115 HydrophobicContact CZ-CE2 4.12Å; F87-F115 HydrophobicContact CZ-CZ 4.38Å; F87-V134 CarbonylContact C-O 3.23Å; F87-V134 WeakPolarHBondContact CA-O 3.42Å; F87-V134 WeakPolarHBondContact CB-O 3.46Å
88	K	96	Very high	92.2	Very high	60 Å²	60	50.6 Å²	50.6	26%	0.261	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.9	170	-71.8	-177.1	171.3	-152.8	0	110.4	F90 E100 L102 V134 L136	K88-F90 HydrophobicContact CB-CD2 4.27Å; K88-F90 HydrophobicContact CB-CE2 3.49Å; K88-F90 VanDerWaalsContact CB-CE2 3.49Å; K88-F90 HydrophobicContact CB-CZ 3.95Å; K88-F90 HydrophobicContact CD-CE2 4.21Å; K88-F90 HydrophobicContact CD-CZ 3.83Å; K88-F90 HydrophobicContact CG-CE2 4.5Å; K88-E100 WeakPolarHBondContact CD-OE2 3.41Å; K88-E100 WeakPolarHBondContact CE-OE2 3.34Å; K88-E100 IonicContact NZ-OE1 2.75Å; K88-E100 IonicContact NZ-OE2 3.66Å; K88-E100 PolarHBondContact NZ-OE2 3.02Å; K88-L102 CarbonylContact C-O 3.47Å; K88-L102 VanDerWaalsContact CA-O 3.29Å; K88-L102 WeakPolarHBondContact CA-O 3.42Å; K88-V134 PolarHBondContact N-O 3.22Å; K88-V134 PolarHBondContact O-N 2.9Å; K88-L136 HydrophobicContact CD-CD1 4.16Å; K88-L136 HydrophobicContact CG-CD1 3.9Å
89	V	97	Very high	92.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.6	171	-173	0	0	0	0	107.7	I71 F87 L101 L102 L117 I131 K132	I71-V89 HydrophobicContact CD1-CG1 4.44Å; I71-V89 HydrophobicContact CD1-CG2 4.27Å; F87-V89 HydrophobicContact CD2-CG2 3.93Å; F87-V89 HydrophobicContact CE2-CG2 3.77Å; V89-L101 PolarHBondContact O-N 3.21Å; V89-L102 HydrophobicContact CB-CB 4.07Å; V89-L102 HydrophobicContact CG2-CB 4.24Å; V89-L102 HydrophobicContact CG2-CD2 4.06Å; V89-L102 PolarHBondContact N-O 3.29Å; V89-L102 PolarHBondContact O-N 2.75Å; V89-L117 HydrophobicContact CB-CD2 4.3Å; V89-L117 HydrophobicContact CG1-CD2 4.29Å; V89-I131 HydrophobicContact CG1-CG2 3.63Å; V89-K132 CarbonylContact C-O 3.6Å; V89-K132 WeakPolarHBondContact CA-O 3.43Å
90	F	98.1	Very high	92.7	Very high	47 Å²	47	46.5 Å²	46.5	21%	0.206	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.6	174.5	-56.9	-99.9	0	0	0	109.2	K88 M98 T99 E100 I131 K132 V134	K88-F90 HydrophobicContact CB-CD2 4.27Å; K88-F90 HydrophobicContact CB-CE2 3.49Å; K88-F90 VanDerWaalsContact CB-CE2 3.49Å; K88-F90 HydrophobicContact CB-CZ 3.95Å; K88-F90 HydrophobicContact CD-CE2 4.21Å; K88-F90 HydrophobicContact CD-CZ 3.83Å; K88-F90 HydrophobicContact CG-CE2 4.5Å; F90-M98 HydrophobicContact CB-CB 3.71Å; F90-M98 HydrophobicContact CB-CG 4.5Å; F90-M98 HydrophobicContact CB-SD 3.91Å; F90-T99 CarbonylContact C-O 3.53Å; F90-T99 WeakPolarHBondContact CA-O 3.29Å; F90-E100 HydrophobicContact CD1-CB 3.9Å; F90-E100 HydrophobicContact CD1-CG 4.47Å; F90-E100 HydrophobicContact CE1-CB 3.75Å; F90-E100 HydrophobicContact CE1-CG 4.12Å; F90-I131 CarbonylContact O-C 3.57Å; F90-I131 WeakPolarHBondContact O-CA 3.18Å; F90-K132 HydrophobicContact CB-CB 4.3Å; F90-K132 PolarHBondContact N-O 3.05Å; F90-K132 PolarHBondContact O-N 3.08Å; F90-V134 HydrophobicContact CD2-CG2 3.84Å; F90-V134 HydrophobicContact CE2-CB 4.21Å; F90-V134 HydrophobicContact CE2-CG2 3.7Å
91	G	97.6	Very high	92.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.3	172.8	0	0	0	0	0	113.1	M98 T99 C128 F130	G91-M98 WeakPolarHBondContact O-CA 3.4Å; G91-T99 PolarHBondContact N-O 3.23Å; G91-T99 PolarHBondContact O-N 3.48Å; G91-C128 VanDerWaalsContact C-SG 3.59Å; G91-F130 WeakPolarHBondContact CA-O 3.22Å
92	G	95.8	Very high	92.9	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	176.3	-179	0	0	0	0	0	112.4	R129 F130	G92-R129 PolarHBondContact O-N 3.21Å; G92-F130 PolarHBondContact N-O 3.19Å; G92-F130 VanDerWaalsContact N-O 3.11Å; G92-F130 PolarHBondContact O-N 3.42Å
93	M	94.7	Very high	92.8	Very high	38 Å²	38	47.4 Å²	47.4	19%	0.187	24%	0.237	C	C	.	.	S	Bend	trans	-78.7	-23.6	176	-68.4	-58.1	-60.1	0	0	112.8	P65 P127 R129 F130 L165	P65-M93 HydrophobicContact CB-CE 4.09Å; P65-M93 HydrophobicContact CB-SD 4.33Å; P65-M93 HydrophobicContact CG-CE 4.08Å; M93-P127 HydrophobicContact SD-CB 4.24Å; M93-P127 HydrophobicContact SD-CG 4.1Å; M93-R129 HydrophobicContact CE-CB 4Å; M93-R129 HydrophobicContact SD-CB 4.01Å; M93-F130 WeakPolarHBondContact O-CD2 3.46Å; M93-F130 VanDerWaalsContact O-CE2 3.27Å; M93-F130 WeakPolarHBondContact O-CE2 3.35Å; M93-L165 HydrophobicContact CE-CD1 3.59Å; M93-L165 HydrophobicContact CE-CD2 4.44Å; M93-L165 HydrophobicContact CG-CD1 3.9Å; M93-L165 HydrophobicContact SD-CD1 3.73Å
94	N	92.4	Very high	92.6	Very high	85 Å²	85	48.2 Å²	48.2	46%	0.455	24%	0.242	S	C	.	.	S	Bend	trans	-123.9	147.7	178.8	-65.9	-19.3	0	0	0	110.1	E96 N97	N94-E96 VanDerWaalsContact C-N 3.31Å; N94-E96 PolarHBondContact O-N 3.42Å; N94-N97 PolarHBondContact O-N 2.94Å
95	E	89.9	Confident	92.2	Very high	57 Å²	57	49.1 Å²	49.1	27%	0.266	25%	0.252	S	S	.	.	S	Bend	trans	-70.3	-26	-176.3	70.1	174.5	-134.6	0	0	114.6	H21 K22 M98	H21-E95 IonicContact CD2-OE2 3.22Å; H21-E95 PolarHBondContact CD2-OE2 2.96Å; H21-E95 IonicContact CE1-OE2 3.44Å; H21-E95 IonicContact NE2-OE2 2.72Å; H21-E95 PolarHBondContact NE2-OE2 3.02Å; K22-E95 IonicContact NZ-OE1 2.74Å; K22-E95 PolarHBondContact NZ-OE1 3.14Å; E95-M98 HydrophobicContact CB-CE 4.18Å
96	E	87	Confident	92.1	Very high	169 Å²	169	45.5 Å²	45.5	79%	0.79	24%	0.236	S	C	*	.	S	Bend	trans	-84	-25.8	-178.6	-62	175.1	174.2	0	0	112.3	N94	N94-E96 VanDerWaalsContact C-N 3.31Å; N94-E96 PolarHBondContact O-N 3.42Å
97	N	85.4	Confident	91.4	Very high	89 Å²	89	42.3 Å²	42.3	48%	0.476	22%	0.222	S	C	.	.	S	Bend	trans	-124.3	86.3	-172.4	-69	-59.7	0	0	0	109.8	N94	N94-N97 PolarHBondContact O-N 2.94Å
98	M	92.7	Very high	91	Very high	37 Å²	37	44.3 Å²	44.3	18%	0.182	23%	0.233	C	C	.	.			trans	-118.6	151.2	179.5	-59.8	-169.5	-173.2	0	0	111.6	I59 F90 G91 E95 F130 K132	I59-M98 HydrophobicContact CG2-CE 4.12Å; F90-M98 HydrophobicContact CB-CB 3.71Å; F90-M98 HydrophobicContact CB-CG 4.5Å; F90-M98 HydrophobicContact CB-SD 3.91Å; G91-M98 WeakPolarHBondContact O-CA 3.4Å; E95-M98 HydrophobicContact CB-CE 4.18Å; M98-F130 HydrophobicContact CE-CB 3.51Å; M98-F130 HydrophobicContact CE-CG 4.47Å; M98-K132 HydrophobicContact CE-CB 3.86Å; M98-K132 HydrophobicContact SD-CB 3.42Å; M98-K132 WeakPolarHBondContact SD-CB 3.34Å; M98-K132 HydrophobicContact SD-CD 4.35Å
99	T	91.6	Very high	90.4	Very high	47 Å²	47	42.9 Å²	42.9	29%	0.288	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.9	173.8	-54.1	0	0	0	0	109.4	F90 G91 L101	F90-T99 CarbonylContact C-O 3.53Å; F90-T99 WeakPolarHBondContact CA-O 3.29Å; G91-T99 PolarHBondContact N-O 3.23Å; G91-T99 PolarHBondContact O-N 3.48Å; T99-L101 WeakPolarHBondContact O-CD2 3.42Å; T99-L101 PolarHBondContact O-N 2.87Å
100	E	95	Very high	89.9	Confident	75 Å²	75	49.7 Å²	49.7	35%	0.35	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	119	170.2	-171.3	172	140.2	0	0	109.6	K88 F90 S103	K88-E100 WeakPolarHBondContact CD-OE2 3.41Å; K88-E100 WeakPolarHBondContact CE-OE2 3.34Å; K88-E100 IonicContact NZ-OE1 2.75Å; K88-E100 IonicContact NZ-OE2 3.66Å; K88-E100 PolarHBondContact NZ-OE2 3.02Å; F90-E100 HydrophobicContact CD1-CB 3.9Å; F90-E100 HydrophobicContact CD1-CG 4.47Å; F90-E100 HydrophobicContact CE1-CB 3.75Å; F90-E100 HydrophobicContact CE1-CG 4.12Å; E100-S103 VanDerWaalsContact OE1-CB 3.29Å; E100-S103 WeakPolarHBondContact OE1-CB 3.06Å
101	L	94.5	Very high	89.2	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-27.7	-179.7	-49.8	-174.3	0	0	0	112.4	V89 T99 L117 K118 F126 I131	V89-L101 PolarHBondContact O-N 3.21Å; T99-L101 WeakPolarHBondContact O-CD2 3.42Å; T99-L101 PolarHBondContact O-N 2.87Å; L101-L117 HydrophobicContact CB-CB 4.22Å; L101-L117 HydrophobicContact CB-CD2 4.09Å; L101-L117 HydrophobicContact CD1-CD1 4.29Å; L101-K118 WeakPolarHBondContact CD2-O 3.34Å; L101-K118 PolarHBondContact O-N 2.92Å; L101-F126 HydrophobicContact CD2-CE2 3.9Å; L101-F126 HydrophobicContact CD2-CZ 3.85Å; L101-I131 HydrophobicContact CD1-CD1 3.79Å
102	L	91.9	Very high	88.7	Confident	27 Å²	27	56.4 Å²	56.4	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	140.2	-177.4	177	69.3	0	0	0	110.3	I71 F87 K88 V89 F115 L117	I71-L102 HydrophobicContact CG2-CD2 4.1Å; F87-L102 HydrophobicContact CE2-CD2 3.93Å; F87-L102 HydrophobicContact CZ-CD2 4.31Å; K88-L102 CarbonylContact C-O 3.47Å; K88-L102 VanDerWaalsContact CA-O 3.29Å; K88-L102 WeakPolarHBondContact CA-O 3.42Å; V89-L102 HydrophobicContact CB-CB 4.07Å; V89-L102 HydrophobicContact CG2-CB 4.24Å; V89-L102 HydrophobicContact CG2-CD2 4.06Å; V89-L102 PolarHBondContact N-O 3.29Å; V89-L102 PolarHBondContact O-N 2.75Å; L102-F115 HydrophobicContact CD1-CB 4.36Å; L102-F115 HydrophobicContact CD2-CB 3.57Å; L102-F115 HydrophobicContact CD2-CD1 4.28Å; L102-F115 HydrophobicContact CD2-CD2 4.36Å; L102-F115 HydrophobicContact CD2-CG 3.83Å; L102-L117 HydrophobicContact CB-CD2 3.52Å; L102-L117 HydrophobicContact CD2-CD2 3.89Å; L102-L117 HydrophobicContact CG-CD2 4.29Å
103	S	90.4	Very high	88.2	Confident	72 Å²	72	57.1 Å²	57.1	50%	0.503	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.3	162.5	174.3	0	0	0	0	107.8	E100	E100-S103 VanDerWaalsContact OE1-CB 3.29Å; E100-S103 WeakPolarHBondContact OE1-CB 3.06Å
104	S	87.9	Confident	87.8	Confident	17 Å²	17	59.3 Å²	59.3	12%	0.119	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-167.4	-171.8	-152.6	0	0	0	0	113.2	K86 F87 F115	K86-S104 CarbonylContact C-O 3.45Å; K86-S104 VanDerWaalsContact CA-O 3.31Å; K86-S104 WeakPolarHBondContact CA-O 3.49Å; F87-S104 PolarHBondContact N-O 2.76Å; F87-S104 PolarHBondContact O-N 3.35Å; F87-S104 VanDerWaalsContact O-O 3.06Å; S104-F115 WeakPolarHBondContact OG-CE1 3.29Å
105	G	85	Confident	87.5	Confident	20 Å²	20	56.2 Å²	56.2	21%	0.206	29%	0.289	C	S	.	.			trans	-154.2	140.3	177.9	0	0	0	0	0	111	L84 K85	L84-G105 CarbonylContact O-C 3.57Å; K85-G105 WeakPolarHBondContact O-CA 3.43Å
106	L	86.8	Confident	87.4	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.304	C	S	.	.			trans	-79.7	146	172.8	-59.2	-180	0	0	0	110.6	F73 L84 F87 E113 F115 W139	F73-L106 HydrophobicContact CB-CD1 4.12Å; F73-L106 HydrophobicContact CB-CD2 3.72Å; F73-L106 HydrophobicContact CD1-CD1 4.25Å; F73-L106 HydrophobicContact CD2-CD2 3.88Å; F73-L106 HydrophobicContact CG-CD1 4.22Å; F73-L106 HydrophobicContact CG-CD2 3.8Å; L84-L106 HydrophobicContact CB-CD1 4.16Å; L84-L106 HydrophobicContact CB-CG 4.27Å; L84-L106 HydrophobicContact CG-CD1 4.33Å; L84-L106 WeakPolarHBondContact O-CA 3.33Å; L84-L106 WeakPolarHBondContact O-CB 3.45Å; L84-L106 PolarHBondContact O-N 3.1Å; F87-L106 HydrophobicContact CD1-CG 4.41Å; F87-L106 HydrophobicContact CE1-CD2 3.91Å; F87-L106 HydrophobicContact CE1-CG 3.8Å; F87-L106 HydrophobicContact CZ-CD2 4.25Å; L106-E113 VanDerWaalsContact CA-OE1 3.29Å; L106-E113 WeakPolarHBondContact CA-OE1 3.4Å; L106-E113 HydrophobicContact CD2-CB 4.36Å; L106-F115 HydrophobicContact CD2-CE2 3.76Å; L106-F115 HydrophobicContact CD2-CZ 4.09Å; L106-W139 PolarHBondContact O-NE1 3.32Å
107	K	76.5	Confident	87.5	Confident	30 Å²	30	50.2 Å²	50.2	13%	0.13	27%	0.268	C	S	.	.			trans	-64.6	155.4	166.8	-61.1	172.9	-151.9	-161.4	0	111.8	K75 N83 D109 E113 D500 T502	K75-K107 WeakPolarHBondContact CE-O 3.39Å; N83-K107 PolarHBondContact ND2-O 3.41Å; K107-D109 VanDerWaalsContact C-N 3.28Å; K107-D109 WeakPolarHBondContact CB-OD1 3.34Å; K107-D109 WeakPolarHBondContact CD-OD2 3.32Å; K107-D109 PolarHBondContact O-N 3.27Å; K107-E113 WeakPolarHBondContact CE-OE2 3.42Å; K107-E113 WeakPolarHBondContact CG-OE2 3.36Å; K107-E113 PolarHBondContact N-OE1 3.03Å; K107-D500 VanDerWaalsContact CE-CG 3.41Å; K107-D500 WeakPolarHBondContact CE-OD2 3.37Å; K107-D500 IonicContact NZ-OD1 3.72Å; K107-D500 PolarHBondContact NZ-OD1 2.75Å; K107-D500 IonicContact NZ-OD2 2.88Å; K107-D500 PolarHBondContact NZ-OD2 2.89Å; K107-T502 HydrophobicContact CD-CG2 3.65Å; K107-T502 WeakPolarHBondContact CD-OG1 3.33Å; K107-T502 WeakPolarHBondContact CE-OG1 3.48Å; K107-T502 HydrophobicContact CG-CG2 4.14Å; K107-T502 WeakPolarHBondContact CG-OG1 3.32Å
108	N	85.5	Confident	87.8	Confident	42 Å²	42	51.3 Å²	51.3	23%	0.225	27%	0.268	C	S	.	.	S	Bend	trans	-92.9	55.6	170.6	-156.3	19.3	0	0	0	112.1	T79 H80 W139	T79-N108 HydrophobicContact CG2-CB 4.3Å; T79-N108 VanDerWaalsContact CG2-CG 3.45Å; T79-N108 WeakPolarHBondContact CG2-ND2 3.45Å; T79-N108 WeakPolarHBondContact CG2-O 3.47Å; T79-N108 WeakPolarHBondContact CG2-OD1 3.26Å; T79-N108 PolarHBondContact OG1-O 2.92Å; H80-N108 VanDerWaalsContact C-OD1 3.25Å; H80-N108 PolarHBondContact N-OD1 2.88Å; H80-N108 PolarHBondContact O-OD1 3.09Å; N108-W139 HydrophobicContact CB-CB 4.42Å; N108-W139 HydrophobicContact CB-CD2 3.63Å; N108-W139 HydrophobicContact CB-CE3 4.2Å; N108-W139 HydrophobicContact CB-CG 3.7Å; N108-W139 HydrophobicContact CB-CZ2 4.25Å
109	D	82.9	Confident	87.8	Confident	31 Å²	31	51 Å²	51	17%	0.166	27%	0.266	C	S	.	.	S	Bend	trans	-131.2	-165.9	175.5	65.2	8.1	0	0	0	110	K75 K107 N111	K75-D109 WeakPolarHBondContact CD-O 3.35Å; K75-D109 IonicContact NZ-OD1 3.07Å; K75-D109 PolarHBondContact NZ-OD1 3.48Å; K107-D109 VanDerWaalsContact C-N 3.28Å; K107-D109 WeakPolarHBondContact CB-OD1 3.34Å; K107-D109 WeakPolarHBondContact CD-OD2 3.32Å; K107-D109 PolarHBondContact O-N 3.27Å; D109-N111 PolarHBondContact OD1-N 3.23Å; D109-N111 PolarHBondContact OD2-ND2 2.94Å; D109-N111 VanDerWaalsContact OD2-ND2 3.14Å
110	Y	85.7	Confident	87.7	Confident	142 Å²	142	52.3 Å²	52.3	56%	0.557	27%	0.268	S	S	*	.	S	Bend	trans	-107	0.1	-177.7	56.3	-96.8	0	0	0	113.7	Y76 E77	Y76-Y110 WeakPolarHBondContact O-CA 3.37Å; Y76-Y110 WeakPolarHBondContact O-CB 3.4Å; E77-Y110 WeakPolarHBondContact O-CB 3.27Å
111	N	83.7	Confident	87.4	Confident	79 Å²	79	50.3 Å²	50.3	42%	0.422	26%	0.259	S	S	.	.	S	Bend	trans	-80.1	140.3	-177	-60.6	-58.5	0	0	0	110.6	K75 D109	K75-N111 VanDerWaalsContact CD-O 3.28Å; K75-N111 WeakPolarHBondContact CD-O 3.33Å; K75-N111 VanDerWaalsContact CE-O 3.28Å; K75-N111 WeakPolarHBondContact CE-O 3.14Å; K75-N111 PolarHBondContact NZ-O 3.48Å; D109-N111 PolarHBondContact OD1-N 3.23Å; D109-N111 PolarHBondContact OD2-ND2 2.94Å; D109-N111 VanDerWaalsContact OD2-ND2 3.14Å
112	K	87.8	Confident	86.8	Confident	109 Å²	109	56.2 Å²	56.2	47%	0.474	29%	0.291	S	S	.	.			trans	-62.9	149.3	169.6	-58.1	-169.3	177.9	178.9	0	110.3	D38 T72 F73	D38-K112 WeakPolarHBondContact OD2-CE 3.29Å; D38-K112 IonicContact OD2-NZ 2.71Å; D38-K112 PolarHBondContact OD2-NZ 3.34Å; T72-K112 HydrophobicContact CG2-CB 4.44Å; F73-K112 WeakPolarHBondContact O-CA 3.46Å
113	E	86.2	Confident	86.4	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.079	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130	176.1	-68	-178.3	-93.4	0	0	110.3	T72 F73 K75 L106 K107 F115	T72-E113 CarbonylContact C-O 3.56Å; T72-E113 WeakPolarHBondContact CA-O 3.37Å; F73-E113 PolarHBondContact N-O 3.29Å; F73-E113 PolarHBondContact O-N 3.4Å; K75-E113 WeakPolarHBondContact CE-OE1 3.41Å; K75-E113 VanDerWaalsContact NZ-CD 3.34Å; K75-E113 IonicContact NZ-OE1 3.77Å; K75-E113 PolarHBondContact NZ-OE1 3.45Å; L106-E113 VanDerWaalsContact CA-OE1 3.29Å; L106-E113 WeakPolarHBondContact CA-OE1 3.4Å; L106-E113 HydrophobicContact CD2-CB 4.36Å; K107-E113 WeakPolarHBondContact CE-OE2 3.42Å; K107-E113 WeakPolarHBondContact CG-OE2 3.36Å; K107-E113 PolarHBondContact N-OE1 3.03Å; E113-F115 HydrophobicContact CB-CE2 3.72Å; E113-F115 HydrophobicContact CB-CZ 3.96Å
114	T	86.4	Confident	86.5	Confident	84 Å²	84	62.7 Å²	62.7	52%	0.515	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.7	177	-58.3	0	0	0	0	109.6	N70 I71 T72	N70-T114 HydrophobicContact CB-CG2 3.9Å; I71-T114 CarbonylContact O-C 3.51Å; I71-T114 WeakPolarHBondContact O-CA 3.36Å; T72-T114 WeakPolarHBondContact CG2-OG1 3.48Å; T72-T114 WeakPolarHBondContact OG1-CG2 3.48Å; T72-T114 PolarHBondContact OG1-OG1 3.08Å
115	F	85.3	Confident	86.8	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.088	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.1	-179.6	-58.1	-90.4	0	0	0	110.4	N70 I71 F73 F87 L102 S104 L106 E113	N70-F115 CarbonylContact C-O 3.58Å; N70-F115 VanDerWaalsContact CA-O 3.23Å; N70-F115 WeakPolarHBondContact CA-O 3.28Å; I71-F115 HydrophobicContact CG2-CB 4Å; I71-F115 HydrophobicContact CG2-CD2 4.48Å; I71-F115 PolarHBondContact N-O 3.48Å; I71-F115 PolarHBondContact O-N 3.3Å; F73-F115 AromaticContact CD2-CD2 3.96Å; F73-F115 HydrophobicContact CD2-CD2 3.96Å; F73-F115 AromaticContact CD2-CE2 3.91Å; F73-F115 HydrophobicContact CD2-CE2 3.91Å; F73-F115 HydrophobicContact CE2-CD2 4.19Å; F73-F115 HydrophobicContact CE2-CE2 4.37Å; F87-F115 HydrophobicContact CZ-CD2 4.46Å; F87-F115 HydrophobicContact CZ-CE2 4.12Å; F87-F115 HydrophobicContact CZ-CZ 4.38Å; L102-F115 HydrophobicContact CD1-CB 4.36Å; L102-F115 HydrophobicContact CD2-CB 3.57Å; L102-F115 HydrophobicContact CD2-CD1 4.28Å; L102-F115 HydrophobicContact CD2-CD2 4.36Å; L102-F115 HydrophobicContact CD2-CG 3.83Å; S104-F115 WeakPolarHBondContact OG-CE1 3.29Å; L106-F115 HydrophobicContact CD2-CE2 3.76Å; L106-F115 HydrophobicContact CD2-CZ 4.09Å; E113-F115 HydrophobicContact CB-CE2 3.72Å; E113-F115 HydrophobicContact CB-CZ 3.96Å
116	T	87.2	Confident	87.2	Confident	97 Å²	97	63 Å²	63	60%	0.595	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.9	167.4	-47.3	0	0	0	0	109.8	Q69	Q69-T116 CarbonylContact O-C 3.53Å; Q69-T116 WeakPolarHBondContact O-CA 3.22Å
117	L	89.8	Confident	87.7	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-95.6	145.3	178.1	-66.2	-179.1	0	0	0	110.4	V68 Q69 I71 V89 L101 L102 H119	V68-L117 HydrophobicContact CB-CD1 4.42Å; V68-L117 HydrophobicContact CG1-CD1 3.64Å; Q69-L117 PolarHBondContact O-N 3.39Å; I71-L117 HydrophobicContact CB-CD1 4Å; I71-L117 HydrophobicContact CB-CD2 4.47Å; I71-L117 HydrophobicContact CB-CG 4.33Å; I71-L117 HydrophobicContact CG2-CD1 4.09Å; I71-L117 HydrophobicContact CG2-CD2 3.65Å; I71-L117 HydrophobicContact CG2-CG 3.94Å; V89-L117 HydrophobicContact CB-CD2 4.3Å; V89-L117 HydrophobicContact CG1-CD2 4.29Å; L101-L117 HydrophobicContact CB-CB 4.22Å; L101-L117 HydrophobicContact CB-CD2 4.09Å; L101-L117 HydrophobicContact CD1-CD1 4.29Å; L102-L117 HydrophobicContact CB-CD2 3.52Å; L102-L117 HydrophobicContact CD2-CD2 3.89Å; L102-L117 HydrophobicContact CG-CD2 4.29Å; L117-H119 PolarHBondContact O-N 2.77Å; L117-H119 VanDerWaalsContact O-N 3.13Å; L117-H119 PolarHBondContact O-ND1 3.25Å
118	K	90.8	Very high	88.7	Confident	112 Å²	112	61.5 Å²	61.5	49%	0.487	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.8	116.8	169	-179.6	-176.1	178.8	178.3	0	109.2	L101 F126	L101-K118 WeakPolarHBondContact CD2-O 3.34Å; L101-K118 PolarHBondContact O-N 2.92Å; K118-F126 HydrophobicContact CG-CE1 4.49Å; K118-F126 VanDerWaalsContact O-CZ 3.24Å; K118-F126 WeakPolarHBondContact O-CZ 3.38Å
119	H	92.9	Very high	89.3	Confident	30 Å²	30	62 Å²	62	14%	0.139	30%	0.299	C	S	.	.			trans	-133.1	8.3	-177	60.7	-86.8	0	0	0	113.6	I67 V68 L117 M125 F126	I67-H119 HydrophobicContact CG2-CB 3.92Å; V68-H119 WeakPolarHBondContact O-CB 3.44Å; L117-H119 PolarHBondContact O-N 2.77Å; L117-H119 VanDerWaalsContact O-N 3.13Å; L117-H119 PolarHBondContact O-ND1 3.25Å; H119-M125 VanDerWaalsContact O-CA 3.27Å; H119-M125 WeakPolarHBondContact O-CA 3.46Å; H119-F126 WeakPolarHBondContact O-CD1 3.42Å; H119-F126 PolarHBondContact O-N 3.24Å; H119-F126 VanDerWaalsContact O-N 3.09Å
120	K	90.8	Very high	90	Very high	76 Å²	76	61.6 Å²	61.6	33%	0.33	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151	177.9	-67.9	177.8	169.9	-170.6	0	112.7	E123 Q124 M125	K120-E123 IonicContact NZ-OE2 2.64Å; K120-E123 PolarHBondContact NZ-OE2 3.01Å; K120-Q124 CarbonylContact C-O 3.53Å; K120-Q124 WeakPolarHBondContact CA-O 3.36Å; K120-M125 HydrophobicContact CG-CG 3.99Å
121	I	86.9	Confident	90.6	Very high	32 Å²	32	54.9 Å²	54.9	16%	0.164	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.9	166.6	-62	166.3	0	0	0	105.8	E123 Q124 F126 W167 Y168 Y171	I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 3.33Å; I121-Q124 PolarHBondContact N-O 3.35Å; I121-Q124 WeakPolarHBondContact O-CA 3.2Å; I121-Q124 WeakPolarHBondContact O-CB 3.42Å; I121-Q124 PolarHBondContact O-N 3.37Å; I121-F126 HydrophobicContact CD1-CD1 3.94Å; I121-F126 HydrophobicContact CD1-CE1 4.29Å; I121-F126 HydrophobicContact CG1-CD1 3.84Å; I121-F126 HydrophobicContact CG1-CE1 3.99Å; I121-W167 HydrophobicContact CB-CH2 4.05Å; I121-W167 HydrophobicContact CG2-CH2 4.37Å; I121-Y168 HydrophobicContact CD1-CD2 4.43Å; I121-Y168 HydrophobicContact CD1-CE2 3.94Å; I121-Y171 HydrophobicContact CD1-CE1 4.26Å; I121-Y171 HydrophobicContact CG2-CE1 4.48Å; I121-Y171 HydrophobicContact CG2-CE2 4.47Å
122	D	82.1	Confident	91.3	Very high	135 Å²	135	54 Å²	54	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	47.1	-177.5	-55	-30.1	0	0	0	113.1	Q124	D122-Q124 PolarHBondContact O-N 3.32Å
123	E	84	Confident	91.8	Very high	140 Å²	140	48.8 Å²	48.8	65%	0.654	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	-3	-174	-64.9	-54.2	131.6	0	0	117.2	K120 I121	K120-E123 IonicContact NZ-OE2 2.64Å; K120-E123 PolarHBondContact NZ-OE2 3.01Å; I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 3.33Å
124	Q	91.6	Very high	92.3	Very high	95 Å²	95	48.9 Å²	48.9	44%	0.444	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130	175.2	-63.7	-69.3	-13.6	0	0	110.7	K120 I121 D122 W167	K120-Q124 CarbonylContact C-O 3.53Å; K120-Q124 WeakPolarHBondContact CA-O 3.36Å; I121-Q124 PolarHBondContact N-O 3.35Å; I121-Q124 WeakPolarHBondContact O-CA 3.2Å; I121-Q124 WeakPolarHBondContact O-CB 3.42Å; I121-Q124 PolarHBondContact O-N 3.37Å; D122-Q124 PolarHBondContact O-N 3.32Å; Q124-W167 HydrophobicContact CB-CD2 3.93Å; Q124-W167 HydrophobicContact CB-CE3 3.89Å; Q124-W167 HydrophobicContact CB-CH2 3.5Å; Q124-W167 VanDerWaalsContact CB-CH2 3.5Å; Q124-W167 HydrophobicContact CB-CZ2 3.48Å; Q124-W167 VanDerWaalsContact CB-CZ2 3.48Å; Q124-W167 HydrophobicContact CB-CZ3 3.69Å; Q124-W167 HydrophobicContact CG-CD2 4.29Å; Q124-W167 HydrophobicContact CG-CH2 4.29Å; Q124-W167 HydrophobicContact CG-CZ2 3.76Å
125	M	94.5	Very high	92.8	Very high	42 Å²	42	44.9 Å²	44.9	21%	0.207	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	144.9	177.5	-63.3	180	-177.7	0	0	111.3	I67 H119 K120 I155 C164	I67-M125 HydrophobicContact CD1-CB 3.95Å; I67-M125 HydrophobicContact CG1-CB 4.18Å; I67-M125 HydrophobicContact CG1-SD 4.35Å; I67-M125 HydrophobicContact CG2-CB 4.05Å; I67-M125 HydrophobicContact CG2-CG 4.27Å; I67-M125 HydrophobicContact CG2-SD 4.02Å; H119-M125 VanDerWaalsContact O-CA 3.27Å; H119-M125 WeakPolarHBondContact O-CA 3.46Å; K120-M125 HydrophobicContact CG-CG 3.99Å; M125-I155 HydrophobicContact CE-CD1 4.49Å; M125-I155 HydrophobicContact SD-CD1 4.14Å; M125-C164 WeakPolarHBondContact O-CB 3.4Å
126	F	94.9	Very high	93.2	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	23%	0.231	C	C	.	.			trans	-123.1	139.2	173.8	65.3	-92.4	0	0	0	111.7	I67 L101 K118 H119 I121 Y168	I67-F126 VanDerWaalsContact CD1-C 3.42Å; I67-F126 WeakPolarHBondContact CD1-O 3.35Å; L101-F126 HydrophobicContact CD2-CE2 3.9Å; L101-F126 HydrophobicContact CD2-CZ 3.85Å; K118-F126 HydrophobicContact CG-CE1 4.49Å; K118-F126 VanDerWaalsContact O-CZ 3.24Å; K118-F126 WeakPolarHBondContact O-CZ 3.38Å; H119-F126 WeakPolarHBondContact O-CD1 3.42Å; H119-F126 PolarHBondContact O-N 3.24Å; H119-F126 VanDerWaalsContact O-N 3.09Å; I121-F126 HydrophobicContact CD1-CD1 3.94Å; I121-F126 HydrophobicContact CD1-CE1 4.29Å; I121-F126 HydrophobicContact CG1-CD1 3.84Å; I121-F126 HydrophobicContact CG1-CE1 3.99Å; F126-Y168 HydrophobicContact CB-CD1 4.45Å; F126-Y168 HydrophobicContact CB-CD2 3.6Å; F126-Y168 HydrophobicContact CB-CE2 3.98Å; F126-Y168 HydrophobicContact CB-CG 3.87Å; F126-Y168 HydrophobicContact CG-CD2 4.41Å; F126-Y168 HydrophobicContact CG-CE2 4.32Å
127	P	96.3	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.217	C	C	.	.			trans	-84.1	152.6	-179.9	33.3	-34.5	0	0	0	112.5	A66 I67 M93 V161 L165	A66-P127 CarbonylContact O-C 3.5Å; A66-P127 WeakPolarHBondContact O-CA 3.41Å; I67-P127 HydrophobicContact CD1-CB 3.97Å; M93-P127 HydrophobicContact SD-CB 4.24Å; M93-P127 HydrophobicContact SD-CG 4.1Å; P127-V161 HydrophobicContact CB-CG1 4.1Å; P127-L165 HydrophobicContact CG-CB 3.84Å; P127-L165 HydrophobicContact CG-CD1 3.59Å; P127-L165 HydrophobicContact CG-CG 4.33Å
128	C	97.4	Very high	93.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.2	165.7	-65.3	0	0	0	0	109.5	L62 P65 A66 V68 G91 I131	L62-C128 WeakPolarHBondContact CD1-O 3.33Å; P65-C128 WeakPolarHBondContact CA-O 3.44Å; A66-C128 PolarHBondContact N-O 3.17Å; A66-C128 PolarHBondContact O-N 2.98Å; V68-C128 HydrophobicContact CG2-CB 4.16Å; G91-C128 VanDerWaalsContact C-SG 3.59Å; C128-I131 HydrophobicContact CB-CD1 3.99Å
129	R	97.4	Very high	93.4	Very high	53 Å²	53	43.5 Å²	43.5	20%	0.2	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-31.5	165	-179.9	61.1	-170.2	-159.7	11.9	111.4	L62 E63 G92 M93	L62-R129 PolarHBondContact N-O 2.99Å; L62-R129 PolarHBondContact O-NE 3.24Å; L62-R129 PolarHBondContact O-NH2 3.46Å; E63-R129 VanDerWaalsContact C-NH1 3.28Å; E63-R129 PolarHBondContact O-NH1 3.44Å; E63-R129 PolarHBondContact O-NH2 3.2Å; G92-R129 PolarHBondContact O-N 3.21Å; M93-R129 HydrophobicContact CE-CB 4Å; M93-R129 HydrophobicContact SD-CB 4.01Å
130	F	98.5	Very high	93.1	Very high	23 Å²	23	42.3 Å²	42.3	10%	0.101	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.4	-179	-60.7	-85.3	0	0	0	110.1	H21 I59 L60 K61 G91 G92 M93 M98	H21-F130 AromaticContact CD2-CE1 3.73Å; H21-F130 AromaticContact CE1-CE1 3.83Å; H21-F130 AromaticContact CG-CE1 3.87Å; H21-F130 AromaticContact ND1-CE1 3.91Å; H21-F130 AromaticContact NE2-CE1 3.69Å; I59-F130 HydrophobicContact CG2-CB 4.28Å; I59-F130 HydrophobicContact CG2-CD1 4.08Å; L60-F130 CarbonylContact O-C 3.32Å; L60-F130 VanDerWaalsContact O-CA 3.26Å; L60-F130 WeakPolarHBondContact O-CA 3.18Å; K61-F130 HydrophobicContact CB-CD1 3.95Å; K61-F130 HydrophobicContact CB-CE1 3.9Å; K61-F130 HydrophobicContact CD-CE1 3.83Å; K61-F130 HydrophobicContact CD-CZ 4.31Å; K61-F130 HydrophobicContact CG-CD1 4.13Å; K61-F130 HydrophobicContact CG-CE1 3.72Å; K61-F130 HydrophobicContact CG-CZ 4.35Å; G91-F130 WeakPolarHBondContact CA-O 3.22Å; G92-F130 PolarHBondContact N-O 3.19Å; G92-F130 VanDerWaalsContact N-O 3.11Å; G92-F130 PolarHBondContact O-N 3.42Å; M93-F130 WeakPolarHBondContact O-CD2 3.46Å; M93-F130 VanDerWaalsContact O-CE2 3.27Å; M93-F130 WeakPolarHBondContact O-CE2 3.35Å; M98-F130 HydrophobicContact CE-CB 3.51Å; M98-F130 HydrophobicContact CE-CG 4.47Å
131	I	98.5	Very high	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.5	173.2	-62.3	-64	0	0	0	107.8	I59 L60 V68 V89 F90 L101 C128 L152	I59-I131 CarbonylContact C-O 3.54Å; I59-I131 WeakPolarHBondContact CA-O 3.27Å; L60-I131 HydrophobicContact CB-CB 4.33Å; L60-I131 PolarHBondContact N-O 2.77Å; L60-I131 PolarHBondContact O-N 3.44Å; V68-I131 HydrophobicContact CB-CD1 4.3Å; V68-I131 HydrophobicContact CG1-CD1 4.39Å; V68-I131 HydrophobicContact CG2-CD1 3.99Å; V68-I131 HydrophobicContact CG2-CG1 4.32Å; V89-I131 HydrophobicContact CG1-CG2 3.63Å; F90-I131 CarbonylContact O-C 3.57Å; F90-I131 WeakPolarHBondContact O-CA 3.18Å; L101-I131 HydrophobicContact CD1-CD1 3.79Å; C128-I131 HydrophobicContact CB-CD1 3.99Å; I131-L152 HydrophobicContact CB-CD1 4.4Å; I131-L152 HydrophobicContact CG1-CD1 4.05Å
132	K	98.3	Very high	92.4	Very high	61 Å²	61	47.2 Å²	47.2	27%	0.265	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.2	179.1	177.8	-179.9	-177.6	-179.9	0	110.3	L58 I59 V89 F90 M98 V134	L58-K132 CarbonylContact O-C 3.58Å; L58-K132 VanDerWaalsContact O-CA 3.29Å; L58-K132 WeakPolarHBondContact O-CA 3.26Å; I59-K132 HydrophobicContact CD1-CD 4.34Å; I59-K132 HydrophobicContact CG1-CB 4.18Å; I59-K132 HydrophobicContact CG1-CD 4.35Å; I59-K132 HydrophobicContact CG1-CG 4.01Å; V89-K132 CarbonylContact C-O 3.6Å; V89-K132 WeakPolarHBondContact CA-O 3.43Å; F90-K132 HydrophobicContact CB-CB 4.3Å; F90-K132 PolarHBondContact N-O 3.05Å; F90-K132 PolarHBondContact O-N 3.08Å; M98-K132 HydrophobicContact CE-CB 3.86Å; M98-K132 HydrophobicContact SD-CB 3.42Å; M98-K132 WeakPolarHBondContact SD-CB 3.34Å; M98-K132 HydrophobicContact SD-CD 4.35Å; K132-V134 HydrophobicContact CD-CG2 4.12Å; K132-V134 HydrophobicContact CG-CG2 3.82Å
133	I	98.2	Very high	92.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.8	175.2	-54.4	169.7	0	0	0	107.8	Y57 L58 L60 I71 F73 P135 I147 V150	Y57-I133 CarbonylContact C-O 3.6Å; Y57-I133 WeakPolarHBondContact CA-O 3.4Å; Y57-I133 WeakPolarHBondContact CB-O 3.47Å; L58-I133 PolarHBondContact N-O 2.84Å; L58-I133 PolarHBondContact O-N 3.2Å; L60-I133 HydrophobicContact CD1-CD1 4.03Å; I71-I133 HydrophobicContact CD1-CD1 3.95Å; I71-I133 HydrophobicContact CD1-CG1 4.26Å; F73-I133 HydrophobicContact CE1-CD1 4.15Å; F73-I133 HydrophobicContact CE1-CG2 4.36Å; F73-I133 HydrophobicContact CZ-CD1 4.27Å; F73-I133 HydrophobicContact CZ-CG2 4.33Å; I133-P135 WeakPolarHBondContact O-CD 3.19Å; I133-I147 HydrophobicContact CB-CD1 4.42Å; I133-I147 HydrophobicContact CG2-CD1 3.8Å; I133-V150 HydrophobicContact CD1-CG1 4.13Å; I133-V150 HydrophobicContact CD1-CG2 3.81Å
134	V	97.3	Very high	93.3	Very high	18 Å²	18	41 Å²	41	11%	0.109	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	95.1	-176.9	-174.9	0	0	0	0	109.5	F87 K88 F90 K132 L136	F87-V134 CarbonylContact C-O 3.23Å; F87-V134 WeakPolarHBondContact CA-O 3.42Å; F87-V134 WeakPolarHBondContact CB-O 3.46Å; K88-V134 PolarHBondContact N-O 3.22Å; K88-V134 PolarHBondContact O-N 2.9Å; F90-V134 HydrophobicContact CD2-CG2 3.84Å; F90-V134 HydrophobicContact CE2-CB 4.21Å; F90-V134 HydrophobicContact CE2-CG2 3.7Å; K132-V134 HydrophobicContact CD-CG2 4.12Å; K132-V134 HydrophobicContact CG-CG2 3.82Å; V134-L136 HydrophobicContact CG1-CD2 4Å
135	P	96.2	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	135.6	165.8	-27.9	36.3	0	0	0	112.6	W47 Q56 L84 I133 F145 I147	W47-P135 HydrophobicContact CH2-CG 4Å; W47-P135 HydrophobicContact CZ3-CG 3.81Å; Q56-P135 WeakPolarHBondContact O-CD 3.44Å; L84-P135 HydrophobicContact CD1-CB 4.35Å; L84-P135 HydrophobicContact CD1-CG 3.99Å; L84-P135 HydrophobicContact CD2-CB 3.85Å; L84-P135 HydrophobicContact CD2-CG 4.02Å; I133-P135 WeakPolarHBondContact O-CD 3.19Å; P135-F145 HydrophobicContact CB-CB 3.66Å; P135-F145 HydrophobicContact CB-CD1 3.63Å; P135-F145 HydrophobicContact CB-CD2 3.61Å; P135-F145 HydrophobicContact CB-CE1 4.17Å; P135-F145 HydrophobicContact CB-CE2 4.14Å; P135-F145 HydrophobicContact CB-CG 3.32Å; P135-F145 HydrophobicContact CB-CZ 4.4Å; P135-F145 HydrophobicContact CG-CB 3.95Å; P135-F145 HydrophobicContact CG-CD2 4.41Å; P135-F145 HydrophobicContact CG-CG 4.14Å; P135-I147 HydrophobicContact CG-CD1 4.43Å
136	L	93	Very high	93.5	Very high	73 Å²	73	34.6 Å²	34.6	38%	0.382	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-34.8	179.2	-61	177.7	0	0	0	112.4	K86 K88 V134	K86-L136 HydrophobicContact CB-CB 4.01Å; K86-L136 WeakPolarHBondContact O-CA 3.29Å; K86-L136 PolarHBondContact O-N 3.16Å; K88-L136 HydrophobicContact CD-CD1 4.16Å; K88-L136 HydrophobicContact CG-CD1 3.9Å; V134-L136 HydrophobicContact CG1-CD2 4Å
137	L	91.9	Very high	93.6	Very high	61 Å²	61	34.5 Å²	34.5	32%	0.319	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	137.7	-179.1	-169.9	62.3	0	0	0	110.2	L84 K85 K86	L84-L137 CarbonylContact C-O 3.56Å; K85-L137 WeakPolarHBondContact CA-O 3.24Å; K85-L137 HydrophobicContact CB-CB 4.4Å; K85-L137 HydrophobicContact CB-CD2 4.46Å; K85-L137 HydrophobicContact CB-CG 4.26Å; K85-L137 HydrophobicContact CD-CD2 3.75Å; K85-L137 HydrophobicContact CD-CG 4.24Å; K85-L137 HydrophobicContact CG-CD2 4.18Å; K85-L137 PolarHBondContact N-O 3.1Å; K86-L137 HydrophobicContact CB-CB 3.82Å; K86-L137 HydrophobicContact CD-CD2 4.39Å; K86-L137 HydrophobicContact CG-CB 4.15Å; K86-L137 HydrophobicContact CG-CD2 4.38Å; K86-L137 PolarHBondContact N-O 3.08Å; K86-L137 PolarHBondContact O-N 2.67Å
138	S	92.6	Very high	93.7	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	167	169.4	54.3	0	0	0	0	110.6	N83 G140 F143	N83-S138 VanDerWaalsContact O-CA 3.31Å; N83-S138 WeakPolarHBondContact O-CA 3.47Å; S138-G140 VanDerWaalsContact C-N 3.35Å; S138-G140 PolarHBondContact OG-O 3.23Å; S138-F143 PolarHBondContact OG-O 2.88Å
139	W	87.5	Confident	93.7	Very high	65 Å²	65	36.2 Å²	36.2	25%	0.246	19%	0.189	C	C	.	.	S	Bend	trans	-68.5	-33.1	176.9	-83.5	92.8	0	0	0	113.3	V81 N83 K85 L106 N108 K504	V81-W139 CarbonylContact O-C 3.59Å; V81-W139 WeakPolarHBondContact O-CA 3.49Å; V81-W139 WeakPolarHBondContact O-CB 3.34Å; V81-W139 PolarHBondContact O-N 3.27Å; V81-W139 VanDerWaalsContact O-N 3.08Å; N83-W139 PolarHBondContact O-N 3.31Å; N83-W139 VanDerWaalsContact O-N 3.1Å; K85-W139 HydrophobicContact CB-CD2 4.33Å; K85-W139 HydrophobicContact CB-CG 4.14Å; K85-W139 HydrophobicContact CD-CD2 4.38Å; K85-W139 HydrophobicContact CD-CE3 4.45Å; K85-W139 HydrophobicContact CG-CD2 4.39Å; L106-W139 PolarHBondContact O-NE1 3.32Å; N108-W139 HydrophobicContact CB-CB 4.42Å; N108-W139 HydrophobicContact CB-CD2 3.63Å; N108-W139 HydrophobicContact CB-CE3 4.2Å; N108-W139 HydrophobicContact CB-CG 3.7Å; N108-W139 HydrophobicContact CB-CZ2 4.25Å; W139-K504 HydrophobicContact CH2-CD 4Å; W139-K504 HydrophobicContact CH2-CG 4.49Å; W139-K504 HydrophobicContact CZ3-CD 4.3Å
140	G	86.7	Confident	93.7	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	18%	0.18	C	C	.	.	S	Bend	trans	-89	115.8	168.9	0	0	0	0	0	110.7	V81 S138 S142 F143	V81-G140 PolarHBondContact O-N 2.99Å; S138-G140 VanDerWaalsContact C-N 3.35Å; S138-G140 PolarHBondContact OG-O 3.23Å; G140-S142 PolarHBondContact O-N 2.96Å; G140-F143 PolarHBondContact O-N 2.96Å
141	P	79.2	Confident	93.7	Very high	111 Å²	111	35.3 Å²	35.3	72%	0.721	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-25.4	-172.8	-29.2	35.3	0	0	0	116.1	N52	N52-P141 PolarHBondContact ND2-O 3.13Å
142	S	84.7	Confident	93.7	Very high	100 Å²	100	35.3 Å²	35.3	70%	0.699	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.8	11.1	-179.1	-50.6	0	0	0	0	114.2	G140	G140-S142 PolarHBondContact O-N 2.96Å
143	F	90.3	Very high	93.6	Very high	102 Å²	102	33.3 Å²	33.3	45%	0.447	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-94.8	141.8	-177.8	-79.5	-95.6	0	0	0	111.5	N52 V81 S138 G140	N52-F143 WeakPolarHBondContact CB-O 3.21Å; V81-F143 HydrophobicContact CB-CD2 4.25Å; V81-F143 HydrophobicContact CB-CE2 4.44Å; V81-F143 HydrophobicContact CB-CG 4.33Å; V81-F143 HydrophobicContact CG2-CB 4.43Å; V81-F143 HydrophobicContact CG2-CD1 3.48Å; V81-F143 VanDerWaalsContact CG2-CD1 3.48Å; V81-F143 HydrophobicContact CG2-CD2 3.78Å; V81-F143 HydrophobicContact CG2-CE1 3.49Å; V81-F143 VanDerWaalsContact CG2-CE1 3.49Å; V81-F143 HydrophobicContact CG2-CE2 3.79Å; V81-F143 HydrophobicContact CG2-CG 3.61Å; V81-F143 HydrophobicContact CG2-CZ 3.65Å; S138-F143 PolarHBondContact OG-O 2.88Å; G140-F143 PolarHBondContact O-N 2.96Å
144	N	93.5	Very high	93.5	Very high	42 Å²	42	33.3 Å²	33.3	23%	0.225	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-58.7	157.6	171.3	-66.4	-7.5	0	0	0	111.1	S49 E50 S51 N52 C82	S49-N144 WeakPolarHBondContact O-CB 3.27Å; S49-N144 VanDerWaalsContact O-CG 3.3Å; S49-N144 PolarHBondContact O-ND2 3.07Å; E50-N144 VanDerWaalsContact C-ND2 3.31Å; E50-N144 PolarHBondContact O-ND2 3.16Å; S51-N144 VanDerWaalsContact C-OD1 3.25Å; S51-N144 VanDerWaalsContact CA-OD1 3.29Å; S51-N144 WeakPolarHBondContact CA-OD1 3.08Å; N52-N144 PolarHBondContact N-OD1 3.32Å; C82-N144 VanDerWaalsContact CB-O 3.24Å; C82-N144 WeakPolarHBondContact CB-O 3.46Å; C82-N144 PolarHBondContact SG-O 2.72Å; C82-N144 VanDerWaalsContact SG-O 3.35Å
145	F	94.9	Very high	93.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-78.2	137	179	-54.6	-59.2	0	0	0	109.3	W47 S48 S49 N52 Q56 L84 P135	W47-F145 HydrophobicContact CH2-CB 4.5Å; W47-F145 HydrophobicContact CZ3-CB 4.27Å; S48-F145 CarbonylContact C-O 3.19Å; S48-F145 WeakPolarHBondContact CA-O 3.5Å; S48-F145 PolarHBondContact OG-O 3.14Å; S49-F145 PolarHBondContact N-O 2.85Å; S49-F145 WeakPolarHBondContact OG-CD2 3.3Å; S49-F145 PolarHBondContact OG-N 3.12Å; N52-F145 HydrophobicContact CB-CE2 4.41Å; N52-F145 HydrophobicContact CB-CZ 4.26Å; N52-F145 WeakPolarHBondContact O-CE2 3.48Å; N52-F145 VanDerWaalsContact O-CZ 3.32Å; N52-F145 WeakPolarHBondContact O-CZ 3.43Å; Q56-F145 HydrophobicContact CB-CD2 3.62Å; Q56-F145 HydrophobicContact CB-CE2 3.85Å; Q56-F145 HydrophobicContact CG-CD2 3.6Å; Q56-F145 HydrophobicContact CG-CE2 3.58Å; L84-F145 HydrophobicContact CD2-CB 3.7Å; L84-F145 HydrophobicContact CD2-CD1 4.04Å; L84-F145 HydrophobicContact CD2-CG 4.26Å; P135-F145 HydrophobicContact CB-CB 3.66Å; P135-F145 HydrophobicContact CB-CD1 3.63Å; P135-F145 HydrophobicContact CB-CD2 3.61Å; P135-F145 HydrophobicContact CB-CE1 4.17Å; P135-F145 HydrophobicContact CB-CE2 4.14Å; P135-F145 HydrophobicContact CB-CG 3.32Å; P135-F145 HydrophobicContact CB-CZ 4.4Å; P135-F145 HydrophobicContact CG-CB 3.95Å; P135-F145 HydrophobicContact CG-CD2 4.41Å; P135-F145 HydrophobicContact CG-CG 4.14Å
146	S	95.8	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	170.6	-62.7	0	0	0	0	111.8	W47 S48 C82	W47-S146 VanDerWaalsContact O-CA 3.22Å; W47-S146 WeakPolarHBondContact O-CA 3.43Å; S48-S146 PolarHBondContact OG-OG 3.07Å; C82-S146 WeakPolarHBondContact CB-OG 3.29Å; C82-S146 PolarHBondContact O-N 2.97Å
147	I	97.7	Very high	93.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.4	168.4	-62.8	172	0	0	0	106.4	I35 R46 W47 L58 F73 L84 I133 P135 V150	I35-I147 HydrophobicContact CB-CG2 4.32Å; I35-I147 HydrophobicContact CG2-CB 4.06Å; I35-I147 HydrophobicContact CG2-CG2 3.76Å; I35-I147 WeakPolarHBondContact CG2-O 3.47Å; R46-I147 CarbonylContact C-O 3.6Å; R46-I147 WeakPolarHBondContact CA-O 3.5Å; R46-I147 WeakPolarHBondContact CB-O 3.5Å; W47-I147 HydrophobicContact CE3-CB 3.96Å; W47-I147 HydrophobicContact CE3-CD1 3.72Å; W47-I147 HydrophobicContact CE3-CG1 3.76Å; W47-I147 HydrophobicContact CZ3-CD1 3.68Å; W47-I147 HydrophobicContact CZ3-CG1 3.95Å; W47-I147 PolarHBondContact N-O 3.04Å; W47-I147 PolarHBondContact O-N 2.89Å; L58-I147 HydrophobicContact CD1-CD1 3.85Å; L58-I147 HydrophobicContact CG-CD1 4.43Å; F73-I147 HydrophobicContact CD1-CG2 4.28Å; F73-I147 HydrophobicContact CE1-CG2 4.38Å; L84-I147 HydrophobicContact CD1-CD1 4.12Å; L84-I147 HydrophobicContact CD1-CG1 3.78Å; L84-I147 HydrophobicContact CG-CG1 4.41Å; I133-I147 HydrophobicContact CB-CD1 4.42Å; I133-I147 HydrophobicContact CG2-CD1 3.8Å; P135-I147 HydrophobicContact CG-CD1 4.43Å; I147-V150 HydrophobicContact CG2-CG2 3.45Å; I147-V150 VanDerWaalsContact CG2-CG2 3.45Å
148	W	97.3	Very high	93.6	Very high	8 Å²	8	32.6 Å²	32.6	3%	0.03	18%	0.181	C	C	.	.			trans	-90.2	-43.4	-173.2	-54.1	90.9	0	0	0	112.1	Q43 R46 G74 Y76 H80 N83	Q43-W148 HydrophobicContact CG-CH2 4.35Å; Q43-W148 HydrophobicContact CG-CZ3 4.42Å; R46-W148 HydrophobicContact CB-CD2 3.98Å; R46-W148 HydrophobicContact CB-CE3 3.6Å; R46-W148 HydrophobicContact CB-CG 4.46Å; R46-W148 HydrophobicContact CB-CZ3 4.08Å; R46-W148 VanDerWaalsContact CD-CZ3 3.46Å; R46-W148 HydrophobicContact CG-CE3 4.22Å; R46-W148 HydrophobicContact CG-CZ3 4.18Å; G74-W148 WeakPolarHBondContact O-CB 3.5Å; Y76-W148 HydrophobicContact CD1-CH2 4.33Å; Y76-W148 HydrophobicContact CD2-CH2 4.37Å; Y76-W148 AromaticContact CD2-CZ3 3.96Å; Y76-W148 HydrophobicContact CD2-CZ3 3.96Å; Y76-W148 HydrophobicContact CG-CE3 4.45Å; Y76-W148 AromaticContact CG-CH2 3.85Å; Y76-W148 HydrophobicContact CG-CH2 3.85Å; Y76-W148 HydrophobicContact CG-CZ2 4.45Å; Y76-W148 AromaticContact CG-CZ3 3.86Å; Y76-W148 HydrophobicContact CG-CZ3 3.86Å; H80-W148 HydrophobicContact CB-CH2 4.45Å; H80-W148 HydrophobicContact CB-CZ2 3.78Å; H80-W148 AromaticContact CD2-CH2 3.85Å; H80-W148 AromaticContact CD2-CZ2 3.92Å; H80-W148 AromaticContact CG-CZ2 3.61Å; H80-W148 AromaticContact ND1-CZ2 3.98Å; N83-W148 PolarHBondContact OD1-NE1 2.92Å
149	Y	98	Very high	93.7	Very high	30 Å²	30	39 Å²	39	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.4	179.8	168.9	-110.8	0	0	0	109.2	I35 D38 F73 G74 E151	I35-Y149 WeakPolarHBondContact O-CA 3.47Å; I35-Y149 VanDerWaalsContact O-CD2 3.24Å; I35-Y149 WeakPolarHBondContact O-CD2 3.47Å; D38-Y149 HydrophobicContact CB-CD1 3.88Å; D38-Y149 HydrophobicContact CB-CD2 3.68Å; D38-Y149 HydrophobicContact CB-CE1 4.09Å; D38-Y149 HydrophobicContact CB-CE2 3.88Å; D38-Y149 HydrophobicContact CB-CG 3.65Å; F73-Y149 WeakPolarHBondContact CA-O 3.33Å; G74-Y149 PolarHBondContact N-O 2.85Å; G74-Y149 VanDerWaalsContact N-O 3.08Å; Y149-E151 HydrophobicContact CE1-CB 3.54Å; Y149-E151 WeakPolarHBondContact OH-CB 3.5Å; Y149-E151 PolarHBondContact OH-OE2 3.42Å
150	V	98.2	Very high	94	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.7	171.2	177.9	0	0	0	0	109.9	Y18 I35 L60 I71 T72 F73 I133 I147 L152	Y18-V150 WeakPolarHBondContact CE1-O 3.45Å; Y18-V150 WeakPolarHBondContact OH-CB 3.31Å; Y18-V150 PolarHBondContact OH-O 2.91Å; I35-V150 HydrophobicContact CB-CG2 4.49Å; I35-V150 HydrophobicContact CD1-CB 4.12Å; I35-V150 HydrophobicContact CD1-CG2 3.95Å; I35-V150 PolarHBondContact O-N 3.06Å; L60-V150 HydrophobicContact CD1-CG1 3.87Å; I71-V150 HydrophobicContact CD1-CG1 3.92Å; I71-V150 HydrophobicContact CG1-CG1 3.94Å; T72-V150 CarbonylContact O-C 3.48Å; T72-V150 WeakPolarHBondContact O-CA 3.31Å; F73-V150 HydrophobicContact CD1-CG2 4.01Å; F73-V150 HydrophobicContact CE1-CG2 3.91Å; I133-V150 HydrophobicContact CD1-CG1 4.13Å; I133-V150 HydrophobicContact CD1-CG2 3.81Å; I147-V150 HydrophobicContact CG2-CG2 3.45Å; I147-V150 VanDerWaalsContact CG2-CG2 3.45Å; V150-L152 HydrophobicContact CG1-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CG 4.43Å
151	E	97.9	Very high	94.5	Very high	55 Å²	55	38.3 Å²	38.3	26%	0.257	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.5	172	157.2	174.5	130.9	0	0	109.5	L15 I71 T72 Y149	L15-E151 HydrophobicContact CD1-CB 4.46Å; L15-E151 HydrophobicContact CD1-CG 3.41Å; L15-E151 VanDerWaalsContact CD1-CG 3.41Å; I71-E151 CarbonylContact C-O 3.57Å; I71-E151 WeakPolarHBondContact CA-O 3.4Å; T72-E151 PolarHBondContact N-O 3.44Å; T72-E151 PolarHBondContact O-N 3.3Å; Y149-E151 HydrophobicContact CE1-CB 3.54Å; Y149-E151 WeakPolarHBondContact OH-CB 3.5Å; Y149-E151 PolarHBondContact OH-OE2 3.42Å
152	L	98	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.3	178.5	-62	175.5	0	0	0	108.2	L16 Y18 L60 L62 V68 I71 I131 V150	L16-L152 HydrophobicContact CB-CB 4.15Å; L16-L152 PolarHBondContact N-O 3.38Å; Y18-L152 HydrophobicContact CD1-CD1 3.97Å; Y18-L152 HydrophobicContact CD1-CG 4.26Å; Y18-L152 HydrophobicContact CE1-CG 4.46Å; Y18-L152 HydrophobicContact CG-CD1 4.31Å; L60-L152 HydrophobicContact CD1-CD1 4.11Å; L62-L152 HydrophobicContact CD2-CD1 3.6Å; V68-L152 HydrophobicContact CG1-CB 4.38Å; V68-L152 HydrophobicContact CG1-CD2 4.13Å; I71-L152 HydrophobicContact CB-CD2 3.86Å; I71-L152 HydrophobicContact CD1-CD2 3.87Å; I71-L152 HydrophobicContact CG1-CD2 3.68Å; I131-L152 HydrophobicContact CB-CD1 4.4Å; I131-L152 HydrophobicContact CG1-CD1 4.05Å; V150-L152 HydrophobicContact CG1-CD2 4.35Å; V150-L152 HydrophobicContact CG1-CG 4.43Å
153	S	96.7	Very high	95.8	Very high	19 Å²	19	36.3 Å²	36.3	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.7	173.9	67.2	0	0	0	0	112	R14 Q69 N70	R14-S153 CarbonylContact O-C 3.51Å; R14-S153 WeakPolarHBondContact O-CA 3.48Å; R14-S153 WeakPolarHBondContact O-CB 3.4Å; Q69-S153 PolarHBondContact N-O 3.22Å; N70-S153 WeakPolarHBondContact CB-OG 3.48Å; N70-S153 PolarHBondContact N-O 3.04Å; N70-S153 PolarHBondContact ND2-OG 3.43Å; N70-S153 PolarHBondContact O-N 2.89Å
154	G	96.1	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-150	-176	0	0	0	0	0	112.8	C13 R14 I67	C13-G154 PolarHBondContact SG-N 2.74Å; R14-G154 PolarHBondContact N-O 2.97Å; R14-G154 PolarHBondContact O-N 3.4Å; I67-G154 CarbonylContact O-C 3.51Å; I67-G154 VanDerWaalsContact O-CA 3.24Å; I67-G154 WeakPolarHBondContact O-CA 3.16Å
155	I	96.7	Very high	96	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.6	-173.2	-52.9	159.1	0	0	0	109	P11 A66 I67 M125 D157 I160 V161	P11-I155 HydrophobicContact CB-CD1 3.56Å; P11-I155 HydrophobicContact CB-CG1 3.96Å; P11-I155 HydrophobicContact CB-CG2 4.35Å; P11-I155 HydrophobicContact CG-CD1 4.16Å; A66-I155 CarbonylContact C-O 3.51Å; A66-I155 VanDerWaalsContact CA-O 3.3Å; A66-I155 WeakPolarHBondContact CA-O 3.24Å; A66-I155 WeakPolarHBondContact CB-O 3.41Å; I67-I155 HydrophobicContact CB-CB 4.24Å; I67-I155 HydrophobicContact CG1-CB 4.46Å; I67-I155 PolarHBondContact N-O 2.96Å; I67-I155 PolarHBondContact O-N 2.72Å; M125-I155 HydrophobicContact CE-CD1 4.49Å; M125-I155 HydrophobicContact SD-CD1 4.14Å; I155-D157 HydrophobicContact CG2-CB 4.15Å; I155-I160 HydrophobicContact CG2-CB 4.16Å; I155-I160 HydrophobicContact CG2-CD1 4.03Å; I155-I160 HydrophobicContact CG2-CG2 4.13Å; I155-V161 VanDerWaalsContact O-CG2 3.24Å; I155-V161 WeakPolarHBondContact O-CG2 3.41Å
156	D	95.3	Very high	96	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.192	C	C	.	.			trans	-114	20	169.7	72.1	-33.3	0	0	0	112.5	R14 L16 R64 A66 P158	R14-D156 IonicContact CZ-OD1 3.77Å; R14-D156 IonicContact NE-OD1 2.73Å; R14-D156 PolarHBondContact NE-OD1 3.48Å; R14-D156 PolarHBondContact NH2-O 2.82Å; R14-D156 IonicContact NH2-OD1 2.73Å; R14-D156 PolarHBondContact NH2-OD1 2.72Å; R14-D156 IonicContact NH2-OD2 3.74Å; L16-D156 HydrophobicContact CD2-CB 3.73Å; R64-D156 IonicContact CZ-OD2 3.15Å; R64-D156 IonicContact NE-OD2 3.34Å; R64-D156 PolarHBondContact NE-OD2 3.36Å; R64-D156 IonicContact NH2-OD2 3.63Å; R64-D156 PolarHBondContact NH2-OD2 3.5Å; A66-D156 HydrophobicContact CB-CB 3.66Å; D156-P158 VanDerWaalsContact O-CD 3.28Å; D156-P158 WeakPolarHBondContact O-CD 3.1Å
157	D	95.3	Very high	95.9	Very high	57 Å²	57	38.8 Å²	38.8	31%	0.305	21%	0.205	S	C	.	.			trans	-65.3	116.3	170.6	-173.8	-10.2	0	0	0	110	I155 D159 I160 V161	I155-D157 HydrophobicContact CG2-CB 4.15Å; D157-D159 PolarHBondContact O-N 3.02Å; D157-D159 PolarHBondContact OD1-N 2.9Å; D157-D159 VanDerWaalsContact OD1-N 3.1Å; D157-I160 HydrophobicContact CB-CD1 4.29Å; D157-I160 HydrophobicContact CB-CG1 4.46Å; D157-I160 PolarHBondContact O-N 3.39Å; D157-I160 VanDerWaalsContact O-N 3.09Å; D157-V161 WeakPolarHBondContact O-CB 3.5Å; D157-V161 VanDerWaalsContact O-CG2 3.31Å; D157-V161 WeakPolarHBondContact O-CG2 3.44Å; D157-V161 PolarHBondContact O-N 2.86Å
158	P	93.8	Very high	95.7	Very high	70 Å²	70	39.6 Å²	39.6	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-55.1	-32.8	-179.5	-26.1	36.1	0	0	0	114.3	D156 I160 Q162	D156-P158 VanDerWaalsContact O-CD 3.28Å; D156-P158 WeakPolarHBondContact O-CD 3.1Å; P158-I160 PolarHBondContact O-N 2.62Å; P158-Q162 WeakPolarHBondContact O-CB 3.39Å; P158-Q162 PolarHBondContact O-N 2.79Å
159	D	94.7	Very high	95.4	Very high	139 Å²	139	42.2 Å²	42.2	74%	0.743	23%	0.228	S	C	*	.	H	α-helix	trans	-67.8	-24.7	-177.8	-71.2	-24.1	0	0	0	112.2	D157 P163	D157-D159 PolarHBondContact O-N 3.02Å; D157-D159 PolarHBondContact OD1-N 2.9Å; D157-D159 VanDerWaalsContact OD1-N 3.1Å; D159-P163 WeakPolarHBondContact O-CD 3.4Å; D159-P163 WeakPolarHBondContact O-CG 3.4Å
160	I	94	Very high	95.2	Very high	49 Å²	49	47.3 Å²	47.3	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-97.2	-44.4	176.6	-59.7	173	0	0	0	110.6	P11 I155 D157 P158 P163 C164	P11-I160 HydrophobicContact CB-CD1 3.59Å; P11-I160 HydrophobicContact CG-CD1 3.65Å; I155-I160 HydrophobicContact CG2-CB 4.16Å; I155-I160 HydrophobicContact CG2-CD1 4.03Å; I155-I160 HydrophobicContact CG2-CG2 4.13Å; D157-I160 HydrophobicContact CB-CD1 4.29Å; D157-I160 HydrophobicContact CB-CG1 4.46Å; D157-I160 PolarHBondContact O-N 3.39Å; D157-I160 VanDerWaalsContact O-N 3.09Å; P158-I160 PolarHBondContact O-N 2.62Å; I160-P163 WeakPolarHBondContact O-CD 3.26Å; I160-C164 PolarHBondContact O-SG 2.85Å; I160-C164 VanDerWaalsContact O-SG 3.35Å
161	V	95.7	Very high	94.8	Very high	6 Å²	6	50 Å²	50	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-40.3	-174.5	172.2	0	0	0	0	112.3	P65 I67 P127 I155 D157 C164 L165	P65-V161 HydrophobicContact CB-CG1 4.13Å; I67-V161 HydrophobicContact CG1-CG2 4.37Å; P127-V161 HydrophobicContact CB-CG1 4.1Å; I155-V161 VanDerWaalsContact O-CG2 3.24Å; I155-V161 WeakPolarHBondContact O-CG2 3.41Å; D157-V161 WeakPolarHBondContact O-CB 3.5Å; D157-V161 VanDerWaalsContact O-CG2 3.31Å; D157-V161 WeakPolarHBondContact O-CG2 3.44Å; D157-V161 PolarHBondContact O-N 2.86Å; V161-C164 WeakPolarHBondContact O-CB 3.5Å; V161-C164 PolarHBondContact O-N 3.2Å; V161-L165 WeakPolarHBondContact O-CB 3.28Å; V161-L165 PolarHBondContact O-N 3.42Å
162	Q	95.3	Very high	94.4	Very high	95 Å²	95	52.2 Å²	52.2	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-43.4	-174.6	-172.5	64.9	55	0	0	112.8	P158 L165 N166	P158-Q162 WeakPolarHBondContact O-CB 3.39Å; P158-Q162 PolarHBondContact O-N 2.79Å; Q162-L165 PolarHBondContact O-N 2.76Å; Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact NE2-OD1 3.08Å; Q162-N166 VanDerWaalsContact O-CG 3.24Å; Q162-N166 PolarHBondContact O-N 2.82Å; Q162-N166 PolarHBondContact O-ND2 3.11Å
163	P	95.7	Very high	94.1	Very high	74 Å²	74	58.3 Å²	58.3	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-56.5	-45.7	169	-27.1	34.9	0	0	0	113.5	D159 I160 L165 N166 W167	D159-P163 WeakPolarHBondContact O-CD 3.4Å; D159-P163 WeakPolarHBondContact O-CG 3.4Å; I160-P163 WeakPolarHBondContact O-CD 3.26Å; P163-L165 VanDerWaalsContact C-N 3.34Å; P163-L165 PolarHBondContact O-N 3.22Å; P163-N166 PolarHBondContact O-N 3.29Å; P163-W167 WeakPolarHBondContact O-CB 3.46Å; P163-W167 PolarHBondContact O-N 2.85Å
164	C	95.6	Very high	94	Very high	16 Å²	16	62 Å²	62	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-40.5	177.5	-67.4	0	0	0	0	112.1	I67 M125 I160 V161 W167 Y168	I67-C164 HydrophobicContact CD1-CB 3.96Å; M125-C164 WeakPolarHBondContact O-CB 3.4Å; I160-C164 PolarHBondContact O-SG 2.85Å; I160-C164 VanDerWaalsContact O-SG 3.35Å; V161-C164 WeakPolarHBondContact O-CB 3.5Å; V161-C164 PolarHBondContact O-N 3.2Å; C164-W167 PolarHBondContact O-N 3.49Å; C164-Y168 VanDerWaalsContact O-CB 3.25Å; C164-Y168 WeakPolarHBondContact O-CB 3.34Å; C164-Y168 PolarHBondContact O-N 2.96Å
165	L	93.7	Very high	93.7	Very high	30 Å²	30	64 Å²	64	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-45.6	176.5	-176.1	63.1	0	0	0	112	M93 P127 V161 Q162 P163 Y168 S169	M93-L165 HydrophobicContact CE-CD1 3.59Å; M93-L165 HydrophobicContact CE-CD2 4.44Å; M93-L165 HydrophobicContact CG-CD1 3.9Å; M93-L165 HydrophobicContact SD-CD1 3.73Å; P127-L165 HydrophobicContact CG-CB 3.84Å; P127-L165 HydrophobicContact CG-CD1 3.59Å; P127-L165 HydrophobicContact CG-CG 4.33Å; V161-L165 WeakPolarHBondContact O-CB 3.28Å; V161-L165 PolarHBondContact O-N 3.42Å; Q162-L165 PolarHBondContact O-N 2.76Å; P163-L165 VanDerWaalsContact C-N 3.34Å; P163-L165 PolarHBondContact O-N 3.22Å; L165-Y168 PolarHBondContact O-N 3.44Å; L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 2.91Å; L165-S169 PolarHBondContact O-OG 3.5Å
166	N	94.3	Very high	93.5	Very high	82 Å²	82	66.3 Å²	66.3	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-43.3	178	-69.1	-17.7	0	0	0	111.4	Q162 P163 K170	Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact NE2-OD1 3.08Å; Q162-N166 VanDerWaalsContact O-CG 3.24Å; Q162-N166 PolarHBondContact O-N 2.82Å; Q162-N166 PolarHBondContact O-ND2 3.11Å; P163-N166 PolarHBondContact O-N 3.29Å; N166-K170 WeakPolarHBondContact O-CG 3.43Å; N166-K170 PolarHBondContact O-N 2.92Å
167	W	94.5	Very high	93.5	Very high	70 Å²	70	67.2 Å²	67.2	27%	0.265	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-50.7	174.7	172.1	84.3	0	0	0	111.2	I121 Q124 P163 C164 S169 K170 Y171	I121-W167 HydrophobicContact CB-CH2 4.05Å; I121-W167 HydrophobicContact CG2-CH2 4.37Å; Q124-W167 HydrophobicContact CB-CD2 3.93Å; Q124-W167 HydrophobicContact CB-CE3 3.89Å; Q124-W167 HydrophobicContact CB-CH2 3.5Å; Q124-W167 VanDerWaalsContact CB-CH2 3.5Å; Q124-W167 HydrophobicContact CB-CZ2 3.48Å; Q124-W167 VanDerWaalsContact CB-CZ2 3.48Å; Q124-W167 HydrophobicContact CB-CZ3 3.69Å; Q124-W167 HydrophobicContact CG-CD2 4.29Å; Q124-W167 HydrophobicContact CG-CH2 4.29Å; Q124-W167 HydrophobicContact CG-CZ2 3.76Å; P163-W167 WeakPolarHBondContact O-CB 3.46Å; P163-W167 PolarHBondContact O-N 2.85Å; C164-W167 PolarHBondContact O-N 3.49Å; W167-S169 VanDerWaalsContact C-N 3.3Å; W167-S169 PolarHBondContact O-N 2.88Å; W167-K170 PolarHBondContact O-N 3.12Å; W167-K170 VanDerWaalsContact O-N 3.16Å; W167-Y171 HydrophobicContact CH2-CD2 4.44Å; W167-Y171 HydrophobicContact CH2-CG 4.29Å; W167-Y171 HydrophobicContact CZ2-CD2 4.12Å; W167-Y171 HydrophobicContact CZ2-CG 4.26Å; W167-Y171 WeakPolarHBondContact O-CB 3.38Å; W167-Y171 PolarHBondContact O-N 2.85Å
168	Y	92.4	Very high	93.5	Very high	18 Å²	18	66.6 Å²	66.6	7%	0.071	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-37	-177.4	-176	-117.4	0	0	0	112.4	I121 F126 C164 L165 Y171 R172	I121-Y168 HydrophobicContact CD1-CD2 4.43Å; I121-Y168 HydrophobicContact CD1-CE2 3.94Å; F126-Y168 HydrophobicContact CB-CD1 4.45Å; F126-Y168 HydrophobicContact CB-CD2 3.6Å; F126-Y168 HydrophobicContact CB-CE2 3.98Å; F126-Y168 HydrophobicContact CB-CG 3.87Å; F126-Y168 HydrophobicContact CG-CD2 4.41Å; F126-Y168 HydrophobicContact CG-CE2 4.32Å; C164-Y168 VanDerWaalsContact O-CB 3.25Å; C164-Y168 WeakPolarHBondContact O-CB 3.34Å; C164-Y168 PolarHBondContact O-N 2.96Å; L165-Y168 PolarHBondContact O-N 3.44Å; Y168-Y171 HydrophobicContact CD2-CD1 4.47Å; Y168-Y171 PolarHBondContact O-N 2.99Å; Y168-R172 HydrophobicContact CE1-CG 4.3Å; Y168-R172 HydrophobicContact CE2-CG 4.2Å; Y168-R172 WeakPolarHBondContact O-CG 3.29Å; Y168-R172 PolarHBondContact O-N 2.78Å
169	S	91.8	Very high	93.5	Very high	64 Å²	64	64.7 Å²	64.7	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-45.3	175.5	-57.6	0	0	0	0	111.7	L165 W167 R172 E173	L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 2.91Å; L165-S169 PolarHBondContact O-OG 3.5Å; W167-S169 VanDerWaalsContact C-N 3.3Å; W167-S169 PolarHBondContact O-N 2.88Å; S169-R172 PolarHBondContact O-N 3.21Å; S169-E173 PolarHBondContact O-N 3.03Å
170	K	92.6	Very high	93.6	Very high	136 Å²	136	59.8 Å²	59.8	59%	0.591	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-41.6	175.4	-71.8	176.8	-179.4	-179.6	0	112.2	N166 W167 E173 Q174	N166-K170 WeakPolarHBondContact O-CG 3.43Å; N166-K170 PolarHBondContact O-N 2.92Å; W167-K170 PolarHBondContact O-N 3.12Å; W167-K170 VanDerWaalsContact O-N 3.16Å; K170-E173 PolarHBondContact O-N 3.42Å; K170-Q174 WeakPolarHBondContact O-CB 3.36Å; K170-Q174 VanDerWaalsContact O-CG 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.18Å; K170-Q174 PolarHBondContact O-N 2.9Å
171	Y	91	Very high	93.7	Very high	60 Å²	60	57.4 Å²	57.4	24%	0.235	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-47.6	176.5	173.5	-95.8	0	0	0	111.1	I121 W167 Y168 E173 Q174 E175	I121-Y171 HydrophobicContact CD1-CE1 4.26Å; I121-Y171 HydrophobicContact CG2-CE1 4.48Å; I121-Y171 HydrophobicContact CG2-CE2 4.47Å; W167-Y171 HydrophobicContact CH2-CD2 4.44Å; W167-Y171 HydrophobicContact CH2-CG 4.29Å; W167-Y171 HydrophobicContact CZ2-CD2 4.12Å; W167-Y171 HydrophobicContact CZ2-CG 4.26Å; W167-Y171 WeakPolarHBondContact O-CB 3.38Å; W167-Y171 PolarHBondContact O-N 2.85Å; Y168-Y171 HydrophobicContact CD2-CD1 4.47Å; Y168-Y171 PolarHBondContact O-N 2.99Å; Y171-E173 PolarHBondContact O-N 3.02Å; Y171-Q174 WeakPolarHBondContact O-CB 3.31Å; Y171-Q174 PolarHBondContact O-N 2.73Å; Y171-E175 HydrophobicContact CD1-CG 4.48Å; Y171-E175 HydrophobicContact CE1-CG 4.01Å; Y171-E175 HydrophobicContact CE2-CG 4.06Å; Y171-E175 PolarHBondContact O-N 3.25Å
172	R	89.7	Confident	93.6	Very high	101 Å²	101	57.8 Å²	57.8	38%	0.381	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-41.1	176.6	-72.9	-174.4	68.3	-159.2	1	112.8	Y168 S169 Q174 E175 A176	Y168-R172 HydrophobicContact CE1-CG 4.3Å; Y168-R172 HydrophobicContact CE2-CG 4.2Å; Y168-R172 WeakPolarHBondContact O-CG 3.29Å; Y168-R172 PolarHBondContact O-N 2.78Å; S169-R172 PolarHBondContact O-N 3.21Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; R172-E175 PolarHBondContact O-N 2.82Å; R172-A176 WeakPolarHBondContact O-CB 3.48Å; R172-A176 PolarHBondContact O-N 2.85Å
173	E	92.1	Very high	93.5	Very high	128 Å²	128	55 Å²	55	60%	0.598	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-42.8	175.4	-175.3	178.3	-171.6	0	0	111.2	S169 K170 Y171 A176 I177	S169-E173 PolarHBondContact O-N 3.03Å; K170-E173 PolarHBondContact O-N 3.42Å; Y171-E173 PolarHBondContact O-N 3.02Å; E173-A176 PolarHBondContact O-N 3.27Å; E173-I177 HydrophobicContact CG-CD1 4.12Å; E173-I177 WeakPolarHBondContact O-CG1 3.48Å; E173-I177 PolarHBondContact O-N 3.04Å
174	Q	92.7	Very high	93.4	Very high	95 Å²	95	53.9 Å²	53.9	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-48.7	176.6	-73.9	173.9	-11.2	0	0	112.1	K170 Y171 R172 A176 I177 R178 I202	K170-Q174 WeakPolarHBondContact O-CB 3.36Å; K170-Q174 VanDerWaalsContact O-CG 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.18Å; K170-Q174 PolarHBondContact O-N 2.9Å; Y171-Q174 WeakPolarHBondContact O-CB 3.31Å; Y171-Q174 PolarHBondContact O-N 2.73Å; R172-Q174 VanDerWaalsContact C-N 3.33Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.66Å; Q174-I177 PolarHBondContact O-N 3.1Å; Q174-R178 WeakPolarHBondContact O-CG 3.49Å; Q174-R178 PolarHBondContact O-N 2.87Å; Q174-I202 HydrophobicContact CB-CD1 4.3Å; Q174-I202 HydrophobicContact CG-CD1 3.87Å; Q174-I202 HydrophobicContact CG-CG1 4.47Å
175	E	91.2	Very high	93.3	Very high	44 Å²	44	54.1 Å²	54.1	21%	0.206	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-35.7	179.4	-70.7	-59.7	113.3	0	0	112.3	Y171 R172 R178 L179	Y171-E175 HydrophobicContact CD1-CG 4.48Å; Y171-E175 HydrophobicContact CE1-CG 4.01Å; Y171-E175 HydrophobicContact CE2-CG 4.06Å; Y171-E175 PolarHBondContact O-N 3.25Å; R172-E175 PolarHBondContact O-N 2.82Å; E175-R178 PolarHBondContact O-N 2.81Å; E175-R178 WeakPolarHBondContact OE1-CD 3.43Å; E175-R178 IonicContact OE1-CZ 2.75Å; E175-R178 IonicContact OE1-NE 3.02Å; E175-R178 IonicContact OE1-NH1 3.66Å; E175-R178 PolarHBondContact OE1-NH1 3.31Å; E175-L179 WeakPolarHBondContact O-CG 3.43Å; E175-L179 PolarHBondContact O-N 2.72Å
176	A	92.3	Very high	93.2	Very high	51 Å²	51	53.5 Å²	53.5	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-43.8	172.8	0	0	0	0	0	111.9	R172 E173 Q174 R178 L179 C180	R172-A176 WeakPolarHBondContact O-CB 3.48Å; R172-A176 PolarHBondContact O-N 2.85Å; E173-A176 PolarHBondContact O-N 3.27Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-A176 PolarHBondContact O-N 2.66Å; A176-R178 VanDerWaalsContact C-N 3.33Å; A176-R178 PolarHBondContact O-N 3Å; A176-L179 PolarHBondContact O-N 2.86Å; A176-C180 PolarHBondContact O-N 3.08Å; A176-C180 VanDerWaalsContact O-N 3.08Å; A176-C180 PolarHBondContact O-SG 3.47Å; A176-C180 VanDerWaalsContact O-SG 3.4Å
177	I	95.2	Very high	93	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.138	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-41.2	175.5	-69.3	163.6	0	0	0	110.6	E173 Q174 L179 C180 L181 L196 T200 I202	E173-I177 HydrophobicContact CG-CD1 4.12Å; E173-I177 WeakPolarHBondContact O-CG1 3.48Å; E173-I177 PolarHBondContact O-N 3.04Å; Q174-I177 PolarHBondContact O-N 3.1Å; I177-L179 VanDerWaalsContact C-N 3.35Å; I177-L179 PolarHBondContact O-N 2.85Å; I177-C180 WeakPolarHBondContact O-CB 3.38Å; I177-C180 PolarHBondContact O-N 3.09Å; I177-L181 HydrophobicContact CG2-CD1 4.18Å; I177-L181 HydrophobicContact CG2-CG 4.38Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 2.93Å; I177-L196 HydrophobicContact CG2-CD2 4.27Å; I177-L196 HydrophobicContact CG2-CG 4.28Å; I177-T200 HydrophobicContact CD1-CG2 3.86Å; I177-T200 HydrophobicContact CG1-CG2 4.45Å; I177-T200 HydrophobicContact CG2-CG2 4.04Å; I177-I202 HydrophobicContact CB-CD1 3.96Å; I177-I202 HydrophobicContact CD1-CD1 3.47Å; I177-I202 VanDerWaalsContact CD1-CD1 3.47Å; I177-I202 HydrophobicContact CG1-CD1 4.31Å; I177-I202 HydrophobicContact CG2-CB 4.15Å; I177-I202 HydrophobicContact CG2-CD1 3.89Å; I177-I202 HydrophobicContact CG2-CG2 4.27Å
178	R	95.6	Very high	92.8	Very high	44 Å²	44	50.7 Å²	50.7	17%	0.166	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-37.2	176.6	-69	177.1	71	-171.2	4.2	112.4	Q174 E175 A176 L181 K182 I202 L204 T723 P725	Q174-R178 WeakPolarHBondContact O-CG 3.49Å; Q174-R178 PolarHBondContact O-N 2.87Å; E175-R178 PolarHBondContact O-N 2.81Å; E175-R178 WeakPolarHBondContact OE1-CD 3.43Å; E175-R178 IonicContact OE1-CZ 2.75Å; E175-R178 IonicContact OE1-NE 3.02Å; E175-R178 IonicContact OE1-NH1 3.66Å; E175-R178 PolarHBondContact OE1-NH1 3.31Å; A176-R178 VanDerWaalsContact C-N 3.33Å; A176-R178 PolarHBondContact O-N 3Å; R178-L181 PolarHBondContact O-N 2.87Å; R178-K182 WeakPolarHBondContact O-CB 3.38Å; R178-K182 PolarHBondContact O-N 3.49Å; R178-I202 HydrophobicContact CG-CG2 3.58Å; R178-L204 PolarHBondContact NE-O 3.43Å; R178-L204 VanDerWaalsContact NE-O 3.09Å; R178-L204 PolarHBondContact NH2-O 3.2Å; R178-L204 WeakPolarHBondContact O-CD1 3.3Å; R178-T723 PolarHBondContact NH2-O 2.94Å; R178-P725 HydrophobicContact CB-CG 3.5Å
179	L	94.3	Very high	92.8	Very high	29 Å²	29	54.1 Å²	54.1	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-41.6	172.5	-77.3	168	0	0	0	111.9	E175 A176 I177 K182 H183 P725 G727 L732	E175-L179 WeakPolarHBondContact O-CG 3.43Å; E175-L179 PolarHBondContact O-N 2.72Å; A176-L179 PolarHBondContact O-N 2.86Å; I177-L179 VanDerWaalsContact C-N 3.35Å; I177-L179 PolarHBondContact O-N 2.85Å; L179-K182 PolarHBondContact O-N 2.72Å; L179-H183 WeakPolarHBondContact O-CB 3.38Å; L179-H183 PolarHBondContact O-N 3.47Å; L179-P725 HydrophobicContact CD2-CB 3.66Å; L179-P725 HydrophobicContact CD2-CG 4.34Å; L179-P725 HydrophobicContact CG-CB 4.03Å; L179-P725 HydrophobicContact CG-CG 4.29Å; L179-G727 VanDerWaalsContact CD2-O 3.26Å; L179-G727 WeakPolarHBondContact CD2-O 3.47Å; L179-L732 HydrophobicContact CD1-CD1 4.44Å
180	C	95.6	Very high	92.7	Very high	36 Å²	36	54.6 Å²	54.6	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.9	173.4	-66.1	0	0	0	0	111.9	A176 I177 K182 H183 F184 L196	A176-C180 PolarHBondContact O-N 3.08Å; A176-C180 VanDerWaalsContact O-N 3.08Å; A176-C180 PolarHBondContact O-SG 3.47Å; A176-C180 VanDerWaalsContact O-SG 3.4Å; I177-C180 WeakPolarHBondContact O-CB 3.38Å; I177-C180 PolarHBondContact O-N 3.09Å; C180-K182 VanDerWaalsContact C-N 3.34Å; C180-K182 PolarHBondContact O-N 3.02Å; C180-H183 PolarHBondContact O-N 3.26Å; C180-F184 HydrophobicContact CB-CE2 4.24Å; C180-F184 HydrophobicContact CB-CZ 4.47Å; C180-F184 WeakPolarHBondContact O-CD2 3.28Å; C180-F184 VanDerWaalsContact O-CG 3.22Å; C180-F184 WeakPolarHBondContact O-CG 3.45Å; C180-F184 PolarHBondContact O-N 2.82Å; C180-L196 HydrophobicContact CB-CD2 3.83Å
181	L	96.1	Very high	92.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-43.4	176.1	-71.3	174.2	0	0	0	111.6	I177 R178 F184 R185 F193 L196 Q197 L204	I177-L181 HydrophobicContact CG2-CD1 4.18Å; I177-L181 HydrophobicContact CG2-CG 4.38Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 2.93Å; R178-L181 PolarHBondContact O-N 2.87Å; L181-F184 PolarHBondContact O-N 3.5Å; L181-R185 WeakPolarHBondContact O-CB 3.36Å; L181-R185 PolarHBondContact O-N 3.34Å; L181-F193 HydrophobicContact CB-CD2 4.18Å; L181-F193 HydrophobicContact CB-CE2 3.93Å; L181-F193 HydrophobicContact CD2-CD2 3.85Å; L181-F193 HydrophobicContact CD2-CE2 4.01Å; L181-F193 HydrophobicContact CD2-CG 4.39Å; L181-F193 WeakPolarHBondContact CD2-O 3.42Å; L181-F193 VanDerWaalsContact O-CD2 3.28Å; L181-F193 WeakPolarHBondContact O-CD2 3.45Å; L181-L196 HydrophobicContact CD2-CB 4.04Å; L181-L196 HydrophobicContact CD2-CD2 3.96Å; L181-L196 HydrophobicContact CD2-CG 4.05Å; L181-L196 HydrophobicContact CG-CD2 4.15Å; L181-Q197 HydrophobicContact CD2-CB 3.95Å; L181-L204 HydrophobicContact CB-CB 4.24Å; L181-L204 HydrophobicContact CB-CD1 4.13Å; L181-L204 HydrophobicContact CB-CD2 4.47Å; L181-L204 HydrophobicContact CD1-CB 4.39Å
182	K	94.7	Very high	92.9	Very high	14 Å²	14	55.1 Å²	55.1	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-50.4	175.2	-176.1	-177.6	172.4	-173.4	0	110.7	R178 L179 C180 R185 Q186 L204 P724 P725 K726 G727 N728	R178-K182 WeakPolarHBondContact O-CB 3.38Å; R178-K182 PolarHBondContact O-N 3.49Å; L179-K182 PolarHBondContact O-N 2.72Å; C180-K182 VanDerWaalsContact C-N 3.34Å; C180-K182 PolarHBondContact O-N 3.02Å; K182-R185 PolarHBondContact O-N 2.96Å; K182-Q186 HydrophobicContact CG-CG 4.49Å; K182-Q186 WeakPolarHBondContact O-CB 3.48Å; K182-Q186 WeakPolarHBondContact O-CG 3.35Å; K182-Q186 PolarHBondContact O-N 2.73Å; K182-L204 HydrophobicContact CB-CD1 3.88Å; K182-P724 HydrophobicContact CD-CB 4.23Å; K182-P724 HydrophobicContact CG-CB 4.46Å; K182-P725 WeakPolarHBondContact CD-O 3.24Å; K182-P725 PolarHBondContact NZ-O 3.2Å; K182-K726 PolarHBondContact NZ-O 3.28Å; K182-G727 PolarHBondContact NZ-O 3.01Å; K182-N728 WeakPolarHBondContact CE-OD1 3.4Å; K182-N728 PolarHBondContact NZ-OD1 3.34Å
183	H	92.7	Very high	93.2	Very high	37 Å²	37	51.9 Å²	51.9	17%	0.171	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-48.9	180	-178.5	71.2	0	0	0	112	L179 C180 R185 Q186 H187 L729	L179-H183 WeakPolarHBondContact O-CB 3.38Å; L179-H183 PolarHBondContact O-N 3.47Å; C180-H183 PolarHBondContact O-N 3.26Å; H183-R185 VanDerWaalsContact C-N 3.29Å; H183-R185 PolarHBondContact O-N 3.35Å; H183-Q186 PolarHBondContact O-N 3.17Å; H183-H187 AromaticContact CE1-CD2 3.38Å; H183-H187 PolarHBondContact CE1-CD2 3.3Å; H183-H187 AromaticContact CE1-CE1 3.96Å; H183-H187 AromaticContact CE1-NE2 3.14Å; H183-H187 PolarHBondContact CE1-NE2 2.78Å; H183-H187 AromaticContact ND1-CD2 3.49Å; H183-H187 PolarHBondContact ND1-CD2 3.3Å; H183-H187 AromaticContact ND1-NE2 3.48Å; H183-H187 PolarHBondContact ND1-NE2 3.28Å; H183-H187 AromaticContact NE2-CD2 3.95Å; H183-H187 PolarHBondContact O-CD2 2.99Å; H183-H187 VanDerWaalsContact O-CD2 3.25Å; H183-H187 PolarHBondContact O-N 3.44Å; H183-L729 HydrophobicContact CB-CB 3.99Å; H183-L729 HydrophobicContact CB-CD2 3.97Å
184	F	94.3	Very high	93.3	Very high	50 Å²	50	51.8 Å²	51.8	22%	0.219	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-37.9	177.7	-62	-23.1	0	0	0	112.4	C180 L181 N188 Y189 A192 F193 L196	C180-F184 HydrophobicContact CB-CE2 4.24Å; C180-F184 HydrophobicContact CB-CZ 4.47Å; C180-F184 WeakPolarHBondContact O-CD2 3.28Å; C180-F184 VanDerWaalsContact O-CG 3.22Å; C180-F184 WeakPolarHBondContact O-CG 3.45Å; C180-F184 PolarHBondContact O-N 2.82Å; L181-F184 PolarHBondContact O-N 3.5Å; F184-N188 PolarHBondContact O-N 2.83Å; F184-Y189 HydrophobicContact CD1-CD2 4.04Å; F184-Y189 PolarHBondContact O-N 3.22Å; F184-A192 HydrophobicContact CD2-CB 3.96Å; F184-A192 HydrophobicContact CE2-CB 4.2Å; F184-A192 HydrophobicContact CG-CB 4.17Å; F184-F193 HydrophobicContact CB-CB 4.1Å; F184-L196 HydrophobicContact CD2-CD2 4.25Å; F184-L196 HydrophobicContact CE2-CD2 3.85Å
185	R	93.3	Very high	93.5	Very high	20 Å²	20	51.1 Å²	51.1	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-49.4	173.6	-171.1	171.6	69.4	172.4	-1.7	111.2	L181 K182 H183 H187 N188 F193 L204 E205 Y704 F711	L181-R185 WeakPolarHBondContact O-CB 3.36Å; L181-R185 PolarHBondContact O-N 3.34Å; K182-R185 PolarHBondContact O-N 2.96Å; H183-R185 VanDerWaalsContact C-N 3.29Å; H183-R185 PolarHBondContact O-N 3.35Å; R185-H187 PolarHBondContact O-N 3.1Å; R185-N188 PolarHBondContact O-N 2.84Å; R185-F193 HydrophobicContact CB-CD2 3.91Å; R185-F193 HydrophobicContact CB-CE2 3.94Å; R185-L204 HydrophobicContact CB-CD2 4.4Å; R185-E205 IonicContact CZ-OE1 3.42Å; R185-E205 IonicContact CZ-OE2 3.69Å; R185-E205 IonicContact NH1-OE1 3.58Å; R185-E205 PolarHBondContact NH1-OE1 3.01Å; R185-E205 IonicContact NH1-OE2 3.73Å; R185-E205 PolarHBondContact NH1-OE2 2.88Å; R185-E205 IonicContact NH2-OE1 3.25Å; R185-E205 IonicContact NH2-OE2 2.77Å; R185-E205 PolarHBondContact NH2-OE2 3.3Å; R185-Y704 PolarHBondContact O-OH 2.84Å; R185-F711 VanDerWaalsContact NH2-CE1 3.32Å
186	Q	91.2	Very high	93.8	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-30.8	179.9	-78	177	-36.3	0	0	113.4	K182 H183 F697 Y704 T708 D712	K182-Q186 HydrophobicContact CG-CG 4.49Å; K182-Q186 WeakPolarHBondContact O-CB 3.48Å; K182-Q186 WeakPolarHBondContact O-CG 3.35Å; K182-Q186 PolarHBondContact O-N 2.73Å; H183-Q186 PolarHBondContact O-N 3.17Å; Q186-F697 HydrophobicContact CB-CE1 3.74Å; Q186-F697 HydrophobicContact CB-CZ 4.4Å; Q186-F697 HydrophobicContact CG-CE1 4.2Å; Q186-F697 HydrophobicContact CG-CZ 4.43Å; Q186-F697 VanDerWaalsContact O-CD1 3.29Å; Q186-F697 WeakPolarHBondContact O-CD1 3.3Å; Q186-F697 VanDerWaalsContact O-CE1 3.26Å; Q186-F697 WeakPolarHBondContact O-CE1 3.25Å; Q186-Y704 WeakPolarHBondContact O-CE1 3.49Å; Q186-T708 HydrophobicContact CG-CG2 4.01Å; Q186-D712 PolarHBondContact NE2-OD2 3.3Å; Q186-D712 VanDerWaalsContact NE2-OD2 3.1Å
187	H	89.8	Confident	93.9	Very high	21 Å²	21	51.7 Å²	51.7	10%	0.097	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.4	176.3	-72.8	-100.9	0	0	0	114.1	H183 R185 Y189 G696 V700	H183-H187 AromaticContact CE1-CD2 3.38Å; H183-H187 PolarHBondContact CE1-CD2 3.3Å; H183-H187 AromaticContact CE1-CE1 3.96Å; H183-H187 AromaticContact CE1-NE2 3.14Å; H183-H187 PolarHBondContact CE1-NE2 2.78Å; H183-H187 AromaticContact ND1-CD2 3.49Å; H183-H187 PolarHBondContact ND1-CD2 3.3Å; H183-H187 AromaticContact ND1-NE2 3.48Å; H183-H187 PolarHBondContact ND1-NE2 3.28Å; H183-H187 AromaticContact NE2-CD2 3.95Å; H183-H187 PolarHBondContact O-CD2 2.99Å; H183-H187 VanDerWaalsContact O-CD2 3.25Å; H183-H187 PolarHBondContact O-N 3.44Å; R185-H187 PolarHBondContact O-N 3.1Å; H187-Y189 HydrophobicContact CB-CD1 4.13Å; H187-Y189 HydrophobicContact CB-CD2 3.76Å; H187-Y189 HydrophobicContact CB-CE1 3.95Å; H187-Y189 HydrophobicContact CB-CE2 3.55Å; H187-Y189 HydrophobicContact CB-CG 4.04Å; H187-Y189 VanDerWaalsContact O-CD1 3.29Å; H187-Y189 WeakPolarHBondContact O-CD1 3.32Å; H187-Y189 WeakPolarHBondContact O-CE1 3.33Å; H187-Y189 PolarHBondContact O-N 3.47Å; H187-G696 PolarHBondContact CE1-O 3.44Å; H187-G696 PolarHBondContact NE2-O 2.81Å; H187-V700 VanDerWaalsContact O-CG1 3.22Å; H187-V700 WeakPolarHBondContact O-CG1 3.24Å
188	N	90.8	Very high	94	Very high	71 Å²	71	58.8 Å²	58.8	38%	0.38	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.5	-177.4	-160.2	35.3	0	0	0	114.3	F184 R185 T190 V700 Y704	F184-N188 PolarHBondContact O-N 2.83Å; R185-N188 PolarHBondContact O-N 2.84Å; N188-T190 PolarHBondContact O-N 3.25Å; N188-V700 HydrophobicContact CB-CG1 3.9Å; N188-Y704 HydrophobicContact CB-CD1 4.47Å; N188-Y704 HydrophobicContact CB-CE1 3.96Å; N188-Y704 HydrophobicContact CB-CE2 4.01Å
189	Y	92.3	Very high	94	Very high	91 Å²	91	65.2 Å²	65.2	36%	0.357	32%	0.322	S	S	.	.			trans	-82	66.5	175.2	-59.4	-25	0	0	0	110.5	F184 H187 E191 A192 F193 D699	F184-Y189 HydrophobicContact CD1-CD2 4.04Å; F184-Y189 PolarHBondContact O-N 3.22Å; H187-Y189 HydrophobicContact CB-CD1 4.13Å; H187-Y189 HydrophobicContact CB-CD2 3.76Å; H187-Y189 HydrophobicContact CB-CE1 3.95Å; H187-Y189 HydrophobicContact CB-CE2 3.55Å; H187-Y189 HydrophobicContact CB-CG 4.04Å; H187-Y189 VanDerWaalsContact O-CD1 3.29Å; H187-Y189 WeakPolarHBondContact O-CD1 3.32Å; H187-Y189 WeakPolarHBondContact O-CE1 3.33Å; H187-Y189 PolarHBondContact O-N 3.47Å; Y189-E191 PolarHBondContact O-N 2.99Å; Y189-A192 PolarHBondContact O-N 3.45Å; Y189-F193 WeakPolarHBondContact O-CB 3.41Å; Y189-F193 PolarHBondContact O-N 3.39Å; Y189-D699 PolarHBondContact OH-OD2 3.05Å
190	T	89.7	Confident	94.1	Very high	74 Å²	74	65.8 Å²	65.8	45%	0.454	33%	0.327	S	S	.	.	H	α-helix	trans	-57.1	-45.2	-171.2	52	0	0	0	0	113.6	N188 A192 F193 E194	N188-T190 PolarHBondContact O-N 3.25Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.37Å; T190-F193 WeakPolarHBondContact O-CB 2.96Å; T190-F193 PolarHBondContact O-N 3.1Å; T190-E194 WeakPolarHBondContact O-CB 3.38Å; T190-E194 WeakPolarHBondContact O-CG 3.43Å; T190-E194 PolarHBondContact O-N 3.25Å
191	E	93.8	Very high	94	Very high	166 Å²	166	73 Å²	73	78%	0.776	35%	0.354	S	S	*	.	H	α-helix	trans	-61.6	-42.1	179.4	-65.4	-175.1	180	0	0	112.2	Y189 S195	Y189-E191 PolarHBondContact O-N 2.99Å; E191-S195 WeakPolarHBondContact O-CB 3.36Å; E191-S195 PolarHBondContact O-N 3.32Å
192	A	94.6	Very high	93.9	Very high	40 Å²	40	74.3 Å²	74.3	33%	0.331	36%	0.361	S	S	.	.	H	α-helix	trans	-67.7	-43.1	177.6	0	0	0	0	0	111.2	F184 Y189 T190 L196	F184-A192 HydrophobicContact CD2-CB 3.96Å; F184-A192 HydrophobicContact CE2-CB 4.2Å; F184-A192 HydrophobicContact CG-CB 4.17Å; Y189-A192 PolarHBondContact O-N 3.45Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.37Å; A192-L196 VanDerWaalsContact O-CB 3.28Å; A192-L196 WeakPolarHBondContact O-CB 3.41Å; A192-L196 PolarHBondContact O-N 3.49Å
193	F	94.8	Very high	93.9	Very high	33 Å²	33	76.6 Å²	76.6	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-58.1	-55.3	176.1	178.6	-90.7	0	0	0	111.8	L181 F184 R185 Y189 T190 S195 L196 Q197 L204	L181-F193 HydrophobicContact CB-CD2 4.18Å; L181-F193 HydrophobicContact CB-CE2 3.93Å; L181-F193 HydrophobicContact CD2-CD2 3.85Å; L181-F193 HydrophobicContact CD2-CE2 4.01Å; L181-F193 HydrophobicContact CD2-CG 4.39Å; L181-F193 WeakPolarHBondContact CD2-O 3.42Å; L181-F193 VanDerWaalsContact O-CD2 3.28Å; L181-F193 WeakPolarHBondContact O-CD2 3.45Å; F184-F193 HydrophobicContact CB-CB 4.1Å; R185-F193 HydrophobicContact CB-CD2 3.91Å; R185-F193 HydrophobicContact CB-CE2 3.94Å; Y189-F193 WeakPolarHBondContact O-CB 3.41Å; Y189-F193 PolarHBondContact O-N 3.39Å; T190-F193 WeakPolarHBondContact O-CB 2.96Å; T190-F193 PolarHBondContact O-N 3.1Å; F193-S195 PolarHBondContact O-N 3.08Å; F193-L196 PolarHBondContact O-N 3.06Å; F193-Q197 VanDerWaalsContact O-CB 3.27Å; F193-Q197 WeakPolarHBondContact O-CB 3.47Å; F193-Q197 PolarHBondContact O-N 3.24Å; F193-L204 HydrophobicContact CE2-CB 4.47Å; F193-L204 HydrophobicContact CE2-CD2 3.87Å; F193-L204 HydrophobicContact CZ-CD2 4.4Å
194	E	94.8	Very high	94	Very high	126 Å²	126	75 Å²	75	59%	0.589	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-42.2	-177.6	-71.1	179.2	-176.7	0	0	112	T190 Q197 K198	T190-E194 WeakPolarHBondContact O-CB 3.38Å; T190-E194 WeakPolarHBondContact O-CG 3.43Å; T190-E194 PolarHBondContact O-N 3.25Å; E194-Q197 PolarHBondContact O-N 2.74Å; E194-K198 WeakPolarHBondContact O-CB 3.29Å; E194-K198 PolarHBondContact O-N 3.46Å
195	S	96.9	Very high	94.1	Very high	81 Å²	81	73 Å²	73	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-61.9	-48	178.5	-175.9	0	0	0	0	111.4	E191 F193 K199	E191-S195 WeakPolarHBondContact O-CB 3.36Å; E191-S195 PolarHBondContact O-N 3.32Å; F193-S195 PolarHBondContact O-N 3.08Å; S195-K199 VanDerWaalsContact O-CB 3.3Å; S195-K199 WeakPolarHBondContact O-CB 3.24Å; S195-K199 PolarHBondContact O-N 3.39Å
196	L	96.4	Very high	94.2	Very high	44 Å²	44	76.1 Å²	76.1	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-65.5	-45.6	178.8	-177.9	61.7	0	0	0	111.4	I177 C180 L181 F184 A192 F193 K198 K199 T200	I177-L196 HydrophobicContact CG2-CD2 4.27Å; I177-L196 HydrophobicContact CG2-CG 4.28Å; C180-L196 HydrophobicContact CB-CD2 3.83Å; L181-L196 HydrophobicContact CD2-CB 4.04Å; L181-L196 HydrophobicContact CD2-CD2 3.96Å; L181-L196 HydrophobicContact CD2-CG 4.05Å; L181-L196 HydrophobicContact CG-CD2 4.15Å; F184-L196 HydrophobicContact CD2-CD2 4.25Å; F184-L196 HydrophobicContact CE2-CD2 3.85Å; A192-L196 VanDerWaalsContact O-CB 3.28Å; A192-L196 WeakPolarHBondContact O-CB 3.41Å; A192-L196 PolarHBondContact O-N 3.49Å; F193-L196 PolarHBondContact O-N 3.06Å; L196-K198 PolarHBondContact O-N 3.32Å; L196-K199 PolarHBondContact O-N 2.82Å; L196-T200 HydrophobicContact CD1-CG2 3.66Å; L196-T200 HydrophobicContact CG-CG2 4.33Å; L196-T200 WeakPolarHBondContact O-CB 2.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.36Å; L196-T200 PolarHBondContact O-N 3.01Å; L196-T200 PolarHBondContact O-OG1 2.82Å
197	Q	95.6	Very high	94.5	Very high	63 Å²	63	79.8 Å²	79.8	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-45.1	178.7	-177.7	167.4	60.4	0	0	111.5	L181 F193 E194 K199 K201	L181-Q197 HydrophobicContact CD2-CB 3.95Å; F193-Q197 VanDerWaalsContact O-CB 3.27Å; F193-Q197 WeakPolarHBondContact O-CB 3.47Å; F193-Q197 PolarHBondContact O-N 3.24Å; E194-Q197 PolarHBondContact O-N 2.74Å; Q197-K199 PolarHBondContact O-N 3.08Å; Q197-K201 VanDerWaalsContact O-CA 3.27Å; Q197-K201 WeakPolarHBondContact O-CA 3.42Å; Q197-K201 PolarHBondContact O-N 2.95Å
198	K	95.8	Very high	94.9	Very high	177 Å²	177	80 Å²	80	77%	0.77	41%	0.408	S	S	*	.	H	α-helix	trans	-64	-40.6	178.2	-177.4	178.3	-179.2	177.6	0	112.2	E194 L196	E194-K198 WeakPolarHBondContact O-CB 3.29Å; E194-K198 PolarHBondContact O-N 3.46Å; L196-K198 PolarHBondContact O-N 3.32Å
199	K	96.6	Very high	95.2	Very high	178 Å²	178	76.6 Å²	76.6	77%	0.774	39%	0.39	S	S	*	.	H	α-helix	trans	-70.5	-42.8	-179	-178.4	61.6	176	-176.1	0	112.3	S195 L196 Q197	S195-K199 VanDerWaalsContact O-CB 3.3Å; S195-K199 WeakPolarHBondContact O-CB 3.24Å; S195-K199 PolarHBondContact O-N 3.39Å; L196-K199 PolarHBondContact O-N 2.82Å; Q197-K199 PolarHBondContact O-N 3.08Å
200	T	95.7	Very high	95.4	Very high	41 Å²	41	75.5 Å²	75.5	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-88.2	-24.4	-174.7	60.7	0	0	0	0	112.9	I177 L196 I202	I177-T200 HydrophobicContact CD1-CG2 3.86Å; I177-T200 HydrophobicContact CG1-CG2 4.45Å; I177-T200 HydrophobicContact CG2-CG2 4.04Å; L196-T200 HydrophobicContact CD1-CG2 3.66Å; L196-T200 HydrophobicContact CG-CG2 4.33Å; L196-T200 WeakPolarHBondContact O-CB 2.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.36Å; L196-T200 PolarHBondContact O-N 3.01Å; L196-T200 PolarHBondContact O-OG1 2.82Å; T200-I202 PolarHBondContact O-N 2.96Å; T200-I202 PolarHBondContact OG1-N 3.32Å
201	K	94.9	Very high	95.8	Very high	187 Å²	187	74.8 Å²	74.8	81%	0.813	39%	0.387	S	S	*	.			trans	58.2	24.7	-171.5	-54	-179.9	179	-179.7	0	113.2	Q197	Q197-K201 VanDerWaalsContact O-CA 3.27Å; Q197-K201 WeakPolarHBondContact O-CA 3.42Å; Q197-K201 PolarHBondContact O-N 2.95Å
202	I	94	Very high	96	Very high	29 Å²	29	66.9 Å²	66.9	15%	0.149	35%	0.35	C	S	.	.			trans	-93.8	127.2	177.2	-68.3	169.5	0	0	0	108.6	Q174 I177 R178 T200	Q174-I202 HydrophobicContact CB-CD1 4.3Å; Q174-I202 HydrophobicContact CG-CD1 3.87Å; Q174-I202 HydrophobicContact CG-CG1 4.47Å; I177-I202 HydrophobicContact CB-CD1 3.96Å; I177-I202 HydrophobicContact CD1-CD1 3.47Å; I177-I202 VanDerWaalsContact CD1-CD1 3.47Å; I177-I202 HydrophobicContact CG1-CD1 4.31Å; I177-I202 HydrophobicContact CG2-CB 4.15Å; I177-I202 HydrophobicContact CG2-CD1 3.89Å; I177-I202 HydrophobicContact CG2-CG2 4.27Å; R178-I202 HydrophobicContact CG-CG2 3.58Å; T200-I202 PolarHBondContact O-N 2.96Å; T200-I202 PolarHBondContact OG1-N 3.32Å
203	A	94.2	Very high	96.1	Very high	62 Å²	62	65.6 Å²	65.6	51%	0.512	34%	0.337	S	S	.	.			trans	-78.7	138.4	173.1	0	0	0	0	0	110
204	L	95.5	Very high	96.2	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	34%	0.342	C	S	.	.	S	Bend	trans	-67.9	-42.4	171.8	172.6	56.2	0	0	0	110.8	R178 L181 K182 R185 F193 P724	R178-L204 PolarHBondContact NE-O 3.43Å; R178-L204 VanDerWaalsContact NE-O 3.09Å; R178-L204 PolarHBondContact NH2-O 3.2Å; R178-L204 WeakPolarHBondContact O-CD1 3.3Å; L181-L204 HydrophobicContact CB-CB 4.24Å; L181-L204 HydrophobicContact CB-CD1 4.13Å; L181-L204 HydrophobicContact CB-CD2 4.47Å; L181-L204 HydrophobicContact CD1-CB 4.39Å; K182-L204 HydrophobicContact CB-CD1 3.88Å; R185-L204 HydrophobicContact CB-CD2 4.4Å; F193-L204 HydrophobicContact CE2-CB 4.47Å; F193-L204 HydrophobicContact CE2-CD2 3.87Å; F193-L204 HydrophobicContact CZ-CD2 4.4Å; L204-P724 HydrophobicContact CD1-CB 4.03Å; L204-P724 HydrophobicContact CD1-CG 4.49Å; L204-P724 HydrophobicContact CG-CB 4.43Å; L204-P724 HydrophobicContact CG-CG 4.38Å
205	E	95.5	Very high	96.4	Very high	9 Å²	9	62.3 Å²	62.3	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	-158.6	177.1	-170.8	62.6	-176.1	-161.6	0	0	110.4	R185 L209 T210 M722 P724	R185-E205 IonicContact CZ-OE1 3.42Å; R185-E205 IonicContact CZ-OE2 3.69Å; R185-E205 IonicContact NH1-OE1 3.58Å; R185-E205 PolarHBondContact NH1-OE1 3.01Å; R185-E205 IonicContact NH1-OE2 3.73Å; R185-E205 PolarHBondContact NH1-OE2 2.88Å; R185-E205 IonicContact NH2-OE1 3.25Å; R185-E205 IonicContact NH2-OE2 2.77Å; R185-E205 PolarHBondContact NH2-OE2 3.3Å; E205-L209 HydrophobicContact CB-CB 4.32Å; E205-L209 HydrophobicContact CB-CD1 4.37Å; E205-L209 VanDerWaalsContact CD-CB 3.4Å; E205-L209 HydrophobicContact CG-CB 3.92Å; E205-L209 WeakPolarHBondContact OE1-CB 3.4Å; E205-T210 VanDerWaalsContact OE1-CA 3.3Å; E205-T210 WeakPolarHBondContact OE1-CA 3.37Å; E205-T210 PolarHBondContact OE1-N 2.62Å; E205-M722 CarbonylContact C-O 3.58Å; E205-M722 WeakPolarHBondContact CA-O 3.28Å; E205-M722 VanDerWaalsContact CB-O 3.28Å; E205-M722 WeakPolarHBondContact CB-O 3.43Å; E205-P724 HydrophobicContact CB-CG 4.1Å; E205-P724 VanDerWaalsContact OE2-CD 3.24Å; E205-P724 WeakPolarHBondContact OE2-CD 3.38Å; E205-P724 WeakPolarHBondContact OE2-CG 3.17Å
206	H	96.2	Very high	96.4	Very high	85 Å²	85	58.5 Å²	58.5	39%	0.394	30%	0.296	S	S	.	.			trans	-64.7	143.1	176.4	-173.1	-94.1	0	0	0	111.9	M208 L209 T210 M722	H206-M208 VanDerWaalsContact ND1-CB 3.34Å; H206-M208 WeakPolarHBondContact ND1-CB 3.13Å; H206-M208 PolarHBondContact ND1-N 3.42Å; H206-M208 PolarHBondContact O-N 2.98Å; H206-L209 PolarHBondContact O-N 3.16Å; H206-T210 PolarHBondContact O-N 3.04Å; H206-M722 HydrophobicContact CB-CB 3.74Å; H206-M722 HydrophobicContact CB-CE 3.78Å; H206-M722 HydrophobicContact CB-CG 3.89Å; H206-M722 PolarHBondContact N-O 2.84Å; H206-M722 WeakPolarHBondContact ND1-CE 3.42Å
207	P	96.7	Very high	96.4	Very high	94 Å²	94	56.6 Å²	56.6	61%	0.61	29%	0.286	S	S	*	.	H	α-helix	trans	-52.8	-31.5	-177.6	-30	35.9	0	0	0	115.4	T210 D211	P207-T210 WeakPolarHBondContact O-CB 3.38Å; P207-T210 PolarHBondContact O-N 3.01Å; P207-D211 WeakPolarHBondContact O-CB 3.43Å; P207-D211 PolarHBondContact O-N 2.98Å
208	M	97.2	Very high	96.3	Very high	25 Å²	25	57.8 Å²	57.8	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-39.6	174.9	-173.7	175.8	-173.2	0	0	112.8	H206 T210 D211 M212 L228 A232 L237 F718 M722	H206-M208 VanDerWaalsContact ND1-CB 3.34Å; H206-M208 WeakPolarHBondContact ND1-CB 3.13Å; H206-M208 PolarHBondContact ND1-N 3.42Å; H206-M208 PolarHBondContact O-N 2.98Å; M208-T210 VanDerWaalsContact C-N 3.34Å; M208-D211 PolarHBondContact O-N 2.91Å; M208-M212 PolarHBondContact O-N 2.84Å; M208-L228 HydrophobicContact CE-CD1 3.71Å; M208-L228 HydrophobicContact CE-CG 3.82Å; M208-L228 WeakPolarHBondContact CE-O 3.35Å; M208-L228 HydrophobicContact CG-CD1 4.07Å; M208-L228 HydrophobicContact CG-CD2 4.45Å; M208-L228 HydrophobicContact CG-CG 4.3Å; M208-A232 HydrophobicContact CE-CB 3.47Å; M208-A232 VanDerWaalsContact CE-CB 3.47Å; M208-A232 HydrophobicContact SD-CB 4.4Å; M208-L237 HydrophobicContact CE-CD1 4.35Å; M208-L237 HydrophobicContact SD-CD1 3.51Å; M208-L237 VanDerWaalsContact SD-CD1 3.51Å; M208-F718 HydrophobicContact SD-CE1 4.31Å; M208-M722 HydrophobicContact CB-CE 4.48Å
209	L	97.4	Very high	96.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-34.9	176.2	-62.1	-175.1	0	0	0	110.4	E205 H206 D211 M212 H213 F711 V715 F718 M722 T723	E205-L209 HydrophobicContact CB-CB 4.32Å; E205-L209 HydrophobicContact CB-CD1 4.37Å; E205-L209 VanDerWaalsContact CD-CB 3.4Å; E205-L209 HydrophobicContact CG-CB 3.92Å; E205-L209 WeakPolarHBondContact OE1-CB 3.4Å; H206-L209 PolarHBondContact O-N 3.16Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 2.88Å; L209-M212 HydrophobicContact CD2-CE 3.84Å; L209-M212 WeakPolarHBondContact O-CB 3.34Å; L209-M212 PolarHBondContact O-N 3.32Å; L209-M212 VanDerWaalsContact O-N 3.15Å; L209-H213 PolarHBondContact O-N 3.3Å; L209-F711 HydrophobicContact CB-CZ 4.38Å; L209-F711 WeakPolarHBondContact O-CE2 3.16Å; L209-V715 HydrophobicContact CD1-CG1 4.33Å; L209-V715 HydrophobicContact CD1-CG2 4.3Å; L209-V715 HydrophobicContact CD2-CG2 4.34Å; L209-F718 HydrophobicContact CD2-CD1 3.89Å; L209-F718 HydrophobicContact CD2-CD2 3.82Å; L209-F718 HydrophobicContact CD2-CE1 3.92Å; L209-F718 HydrophobicContact CD2-CE2 3.86Å; L209-F718 HydrophobicContact CD2-CG 3.83Å; L209-F718 HydrophobicContact CD2-CZ 3.9Å; L209-M722 HydrophobicContact CD1-CB 4.19Å; L209-M722 WeakPolarHBondContact CD1-O 3.49Å; L209-T723 HydrophobicContact CD1-CG2 4.31Å
210	T	96.6	Very high	96.4	Very high	69 Å²	69	48 Å²	48	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-43.2	173.1	-54.5	0	0	0	0	111.2	E205 H206 P207 M208 H213 D214	E205-T210 VanDerWaalsContact OE1-CA 3.3Å; E205-T210 WeakPolarHBondContact OE1-CA 3.37Å; E205-T210 PolarHBondContact OE1-N 2.62Å; H206-T210 PolarHBondContact O-N 3.04Å; P207-T210 WeakPolarHBondContact O-CB 3.38Å; P207-T210 PolarHBondContact O-N 3.01Å; M208-T210 VanDerWaalsContact C-N 3.34Å; T210-H213 PolarHBondContact O-N 3.21Å; T210-D214 PolarHBondContact O-N 2.77Å
211	D	97.9	Very high	96.5	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	26%	0.262	S	S	.	.	H	α-helix	trans	-67.1	-37.3	175.5	-178.5	40.7	0	0	0	112	P207 M208 L209 D214 K215 L228	P207-D211 WeakPolarHBondContact O-CB 3.43Å; P207-D211 PolarHBondContact O-N 2.98Å; M208-D211 PolarHBondContact O-N 2.91Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 2.88Å; D211-D214 PolarHBondContact O-N 3.24Å; D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.09Å; D211-K215 VanDerWaalsContact OD1-CE 3.27Å; D211-K215 WeakPolarHBondContact OD1-CE 3.21Å; D211-K215 IonicContact OD1-NZ 2.87Å; D211-K215 PolarHBondContact OD1-NZ 2.94Å; D211-K215 IonicContact OD2-NZ 3.55Å; D211-K215 PolarHBondContact OD2-NZ 2.84Å; D211-L228 HydrophobicContact CB-CD2 4.44Å
212	M	97.8	Very high	96.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-43.6	172.2	-169.9	174	75.1	0	0	111.7	M208 L209 K215 L216 L228 I229 F711 L714 V715 F718	M208-M212 PolarHBondContact O-N 2.84Å; L209-M212 HydrophobicContact CD2-CE 3.84Å; L209-M212 WeakPolarHBondContact O-CB 3.34Å; L209-M212 PolarHBondContact O-N 3.32Å; L209-M212 VanDerWaalsContact O-N 3.15Å; M212-K215 PolarHBondContact O-N 3.08Å; M212-L216 WeakPolarHBondContact O-CB 3.31Å; M212-L216 PolarHBondContact O-N 2.8Å; M212-L228 HydrophobicContact CB-CD2 3.6Å; M212-L228 HydrophobicContact CG-CD2 4.24Å; M212-I229 HydrophobicContact SD-CD1 3.69Å; M212-I229 HydrophobicContact SD-CG1 4.5Å; M212-F711 HydrophobicContact CB-CE2 4.18Å; M212-F711 HydrophobicContact CE-CD2 3.49Å; M212-F711 VanDerWaalsContact CE-CD2 3.49Å; M212-F711 HydrophobicContact CE-CE2 3.37Å; M212-F711 HydrophobicContact CE-CG 4.46Å; M212-F711 HydrophobicContact CE-CZ 4.27Å; M212-F711 HydrophobicContact CG-CD2 4.31Å; M212-F711 HydrophobicContact CG-CE2 4.35Å; M212-L714 HydrophobicContact CE-CB 4.09Å; M212-L714 HydrophobicContact SD-CB 4.45Å; M212-V715 HydrophobicContact CE-CG2 3.7Å; M212-F718 HydrophobicContact CE-CE2 4.35Å; M212-F718 HydrophobicContact SD-CE2 4.24Å; M212-F718 HydrophobicContact SD-CZ 4.41Å
213	H	97.2	Very high	96.8	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-45.2	176.4	179.2	-78.2	0	0	0	111.5	L209 T210 V217 L218 F711	L209-H213 PolarHBondContact O-N 3.3Å; T210-H213 PolarHBondContact O-N 3.21Å; H213-V217 WeakPolarHBondContact O-CA 3.21Å; H213-V217 VanDerWaalsContact O-CB 3.24Å; H213-V217 WeakPolarHBondContact O-CB 3.46Å; H213-V217 PolarHBondContact O-N 2.84Å; H213-L218 PolarHBondContact O-N 3.2Å; H213-F711 HydrophobicContact CB-CD2 3.98Å; H213-F711 HydrophobicContact CB-CE2 3.58Å; H213-F711 HydrophobicContact CB-CZ 3.96Å
214	D	97.1	Very high	97	Very high	46 Å²	46	40.6 Å²	40.6	25%	0.246	22%	0.217	C	C	.	.	I	π-helix	trans	-59.6	-49.4	177	174.7	69.1	0	0	0	112	T210 D211 L218 K219	T210-D214 PolarHBondContact O-N 2.77Å; D211-D214 PolarHBondContact O-N 3.24Å; D214-L218 WeakPolarHBondContact O-CB 3.49Å; D214-L218 PolarHBondContact O-N 3.4Å; D214-K219 WeakPolarHBondContact O-CG 3.46Å; D214-K219 PolarHBondContact O-N 3.36Å; D214-K219 IonicContact OD1-NZ 3.22Å; D214-K219 WeakPolarHBondContact OD2-CE 3.49Å; D214-K219 IonicContact OD2-NZ 2.66Å; D214-K219 PolarHBondContact OD2-NZ 2.81Å
215	K	98.3	Very high	97.1	Very high	45 Å²	45	40.4 Å²	40.4	20%	0.196	22%	0.216	C	C	.	.	I	π-helix	trans	-63.8	-51	178.7	-74.2	164.4	175.7	154.5	0	112.3	D211 M212 G220 D221 A224 L228	D211-K215 WeakPolarHBondContact O-CG 3.28Å; D211-K215 PolarHBondContact O-N 3.09Å; D211-K215 VanDerWaalsContact OD1-CE 3.27Å; D211-K215 WeakPolarHBondContact OD1-CE 3.21Å; D211-K215 IonicContact OD1-NZ 2.87Å; D211-K215 PolarHBondContact OD1-NZ 2.94Å; D211-K215 IonicContact OD2-NZ 3.55Å; D211-K215 PolarHBondContact OD2-NZ 2.84Å; M212-K215 PolarHBondContact O-N 3.08Å; K215-G220 PolarHBondContact O-N 2.73Å; K215-D221 PolarHBondContact O-N 3.37Å; K215-A224 HydrophobicContact CD-CB 3.9Å; K215-A224 HydrophobicContact CG-CB 4.16Å; K215-L228 HydrophobicContact CD-CD2 4.45Å
216	L	97.8	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-76.8	-56.4	-173.9	-179.1	60.3	0	0	0	112.3	M212 G220 F222 C225 R707 L710 F711 L714	M212-L216 WeakPolarHBondContact O-CB 3.31Å; M212-L216 PolarHBondContact O-N 2.8Å; L216-G220 WeakPolarHBondContact O-CA 3.37Å; L216-G220 PolarHBondContact O-N 3.38Å; L216-F222 HydrophobicContact CD1-CD1 3.82Å; L216-F222 HydrophobicContact CD1-CE1 3.82Å; L216-C225 HydrophobicContact CB-CB 4.41Å; L216-R707 WeakPolarHBondContact O-CD 3.3Å; L216-L710 HydrophobicContact CD1-CD2 3.91Å; L216-L710 HydrophobicContact CD2-CB 4.48Å; L216-L710 HydrophobicContact CD2-CD2 4Å; L216-L710 HydrophobicContact CD2-CG 3.98Å; L216-L710 HydrophobicContact CG-CD2 4.47Å; L216-F711 HydrophobicContact CD2-CB 4.07Å; L216-L714 HydrophobicContact CD2-CD1 3.86Å
217	V	96	Very high	97.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.024	23%	0.229	C	C	.	.	I	π-helix	trans	-80.4	-52.3	-169.4	-173.8	0	0	0	0	111	H213 Y704 R707 T708 F711	H213-V217 WeakPolarHBondContact O-CA 3.21Å; H213-V217 VanDerWaalsContact O-CB 3.24Å; H213-V217 WeakPolarHBondContact O-CB 3.46Å; H213-V217 PolarHBondContact O-N 2.84Å; V217-Y704 HydrophobicContact CG1-CD2 3.89Å; V217-Y704 HydrophobicContact CG1-CE1 4.41Å; V217-Y704 HydrophobicContact CG1-CE2 3.7Å; V217-Y704 HydrophobicContact CG1-CG 4.35Å; V217-R707 HydrophobicContact CB-CB 4.39Å; V217-R707 HydrophobicContact CG1-CB 4.28Å; V217-R707 HydrophobicContact CG2-CB 4.32Å; V217-T708 WeakPolarHBondContact CG1-OG1 3.5Å; V217-F711 HydrophobicContact CG2-CB 3.84Å; V217-F711 HydrophobicContact CG2-CG 4.31Å
218	L	94.7	Very high	97.4	Very high	88 Å²	88	39.4 Å²	39.4	46%	0.461	20%	0.204	S	C	.	.	I	π-helix	trans	-78.4	-43.8	-173.5	-55.9	-177.5	0	0	0	112.5	H213 D214 Y704	H213-L218 PolarHBondContact O-N 3.2Å; D214-L218 WeakPolarHBondContact O-CB 3.49Å; D214-L218 PolarHBondContact O-N 3.4Å; L218-Y704 HydrophobicContact CD2-CE2 3.81Å
219	K	96.6	Very high	97.4	Very high	134 Å²	134	38.2 Å²	38.2	58%	0.583	20%	0.198	S	C	*	.	I	π-helix	trans	-95.1	-25.4	-174.5	-67.3	171.9	179.2	167.1	0	114.1	D214 D221	D214-K219 WeakPolarHBondContact O-CG 3.46Å; D214-K219 PolarHBondContact O-N 3.36Å; D214-K219 IonicContact OD1-NZ 3.22Å; D214-K219 WeakPolarHBondContact OD2-CE 3.49Å; D214-K219 IonicContact OD2-NZ 2.66Å; D214-K219 PolarHBondContact OD2-NZ 2.81Å; K219-D221 HydrophobicContact CB-CB 4.28Å; K219-D221 PolarHBondContact O-N 2.92Å
220	G	96.3	Very high	97.4	Very high	16 Å²	16	42 Å²	42	17%	0.165	22%	0.216	C	C	.	.			trans	65.3	26.8	-171.3	0	0	0	0	0	113	K215 L216 F222 R707	K215-G220 PolarHBondContact O-N 2.73Å; L216-G220 WeakPolarHBondContact O-CA 3.37Å; L216-G220 PolarHBondContact O-N 3.38Å; G220-F222 WeakPolarHBondContact O-CD2 3.37Å; G220-F222 WeakPolarHBondContact O-CE2 3.44Å; G220-F222 PolarHBondContact O-N 2.94Å; G220-F222 VanDerWaalsContact O-N 3.17Å; G220-R707 VanDerWaalsContact CA-NH1 3.26Å
221	D	98	Very high	97.5	Very high	69 Å²	69	44.4 Å²	44.4	37%	0.369	22%	0.221	S	C	.	.			trans	-86.1	79.6	176.7	-167.2	-17	0	0	0	109.7	K215 K219 D223 A224 C225	K215-D221 PolarHBondContact O-N 3.37Å; K219-D221 HydrophobicContact CB-CB 4.28Å; K219-D221 PolarHBondContact O-N 2.92Å; D221-D223 VanDerWaalsContact C-N 3.27Å; D221-D223 PolarHBondContact O-N 3.03Å; D221-D223 PolarHBondContact OD1-N 3.4Å; D221-A224 HydrophobicContact CB-CB 4.16Å; D221-A224 WeakPolarHBondContact OD1-CB 3.5Å; D221-A224 PolarHBondContact OD1-N 3.42Å; D221-A224 WeakPolarHBondContact OD2-CB 3.42Å; D221-C225 WeakPolarHBondContact O-CB 3.39Å; D221-C225 PolarHBondContact O-N 3.41Å
222	F	97.8	Very high	97.5	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-34.5	-179.2	-62.7	-81.9	0	0	0	112.5	L216 G220 C225 E226 I639 H642 R643	L216-F222 HydrophobicContact CD1-CD1 3.82Å; L216-F222 HydrophobicContact CD1-CE1 3.82Å; G220-F222 WeakPolarHBondContact O-CD2 3.37Å; G220-F222 WeakPolarHBondContact O-CE2 3.44Å; G220-F222 PolarHBondContact O-N 2.94Å; G220-F222 VanDerWaalsContact O-N 3.17Å; F222-C225 WeakPolarHBondContact O-CB 3.4Å; F222-C225 PolarHBondContact O-N 3.32Å; F222-E226 PolarHBondContact O-N 2.64Å; F222-I639 HydrophobicContact CB-CG2 3.9Å; F222-I639 HydrophobicContact CD1-CG2 3.78Å; F222-I639 HydrophobicContact CG-CG2 4.33Å; F222-H642 HydrophobicContact CE1-CB 4.42Å; F222-H642 AromaticContact CE1-CD2 3.97Å; F222-R643 HydrophobicContact CD1-CB 4.01Å; F222-R643 HydrophobicContact CD2-CB 3.92Å; F222-R643 HydrophobicContact CD2-CG 3.59Å; F222-R643 HydrophobicContact CE1-CB 4.14Å; F222-R643 HydrophobicContact CE2-CB 4.05Å; F222-R643 HydrophobicContact CE2-CG 3.84Å; F222-R643 HydrophobicContact CG-CB 3.91Å; F222-R643 HydrophobicContact CG-CG 3.99Å; F222-R643 HydrophobicContact CZ-CB 4.15Å; F222-R643 HydrophobicContact CZ-CG 4.44Å
223	D	98	Very high	97.4	Very high	72 Å²	72	41.8 Å²	41.8	39%	0.385	21%	0.207	S	C	.	.	H	α-helix	trans	-69.4	-46.6	-178	-61.3	-47.1	0	0	0	109.9	D221 C225 E226 E227 R643	D221-D223 VanDerWaalsContact C-N 3.27Å; D221-D223 PolarHBondContact O-N 3.03Å; D221-D223 PolarHBondContact OD1-N 3.4Å; D223-C225 VanDerWaalsContact C-N 3.27Å; D223-C225 PolarHBondContact O-N 3.22Å; D223-E226 PolarHBondContact O-N 2.86Å; D223-E227 PolarHBondContact O-N 2.98Å; D223-E227 VanDerWaalsContact O-N 3.1Å; D223-R643 VanDerWaalsContact CG-NH1 3.26Å; D223-R643 IonicContact OD1-CZ 3.31Å; D223-R643 IonicContact OD1-NH1 3.56Å; D223-R643 PolarHBondContact OD1-NH1 2.62Å; D223-R643 IonicContact OD1-NH2 3.78Å; D223-R643 IonicContact OD2-CZ 3.57Å; D223-R643 IonicContact OD2-NH1 2.72Å; D223-R643 PolarHBondContact OD2-NH1 3.28Å; D223-R643 IonicContact OD2-NH2 2.66Å; D223-R643 PolarHBondContact OD2-NH2 3.31Å
224	A	98.1	Very high	97.4	Very high	15 Å²	15	46.7 Å²	46.7	12%	0.124	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-30	173.8	0	0	0	0	0	113.2	K215 D221 L228	K215-A224 HydrophobicContact CD-CB 3.9Å; K215-A224 HydrophobicContact CG-CB 4.16Å; D221-A224 HydrophobicContact CB-CB 4.16Å; D221-A224 WeakPolarHBondContact OD1-CB 3.5Å; D221-A224 PolarHBondContact OD1-N 3.42Å; D221-A224 WeakPolarHBondContact OD2-CB 3.42Å; A224-L228 WeakPolarHBondContact O-CB 3.11Å; A224-L228 PolarHBondContact O-N 3.37Å; A224-L228 VanDerWaalsContact O-N 3.16Å
225	C	98.3	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-43.1	172.5	-173.3	0	0	0	0	111.6	L216 D221 F222 D223 L228 I229	L216-C225 HydrophobicContact CB-CB 4.41Å; D221-C225 WeakPolarHBondContact O-CB 3.39Å; D221-C225 PolarHBondContact O-N 3.41Å; F222-C225 WeakPolarHBondContact O-CB 3.4Å; F222-C225 PolarHBondContact O-N 3.32Å; D223-C225 VanDerWaalsContact C-N 3.27Å; D223-C225 PolarHBondContact O-N 3.22Å; C225-L228 PolarHBondContact O-N 2.83Å; C225-I229 WeakPolarHBondContact O-CG1 3.42Å; C225-I229 PolarHBondContact O-N 3.15Å
226	E	98	Very high	97.2	Very high	10 Å²	10	48 Å²	48	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-43.5	175.9	-73.6	-171.5	-158.7	0	0	112	F222 D223 L228 I229 E230 K636 I639 R640	F222-E226 PolarHBondContact O-N 2.64Å; D223-E226 PolarHBondContact O-N 2.86Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.26Å; E226-I229 PolarHBondContact O-N 3.24Å; E226-E230 WeakPolarHBondContact O-CB 3.38Å; E226-E230 PolarHBondContact O-N 2.88Å; E226-K636 HydrophobicContact CG-CG 4.07Å; E226-I639 HydrophobicContact CG-CB 4.36Å; E226-I639 HydrophobicContact CG-CD1 3.92Å; E226-I639 HydrophobicContact CG-CG2 3.96Å; E226-R640 WeakPolarHBondContact OE1-CG 3.25Å; E226-R640 IonicContact OE1-CZ 3.43Å; E226-R640 IonicContact OE1-NE 3.54Å; E226-R640 PolarHBondContact OE1-NE 2.8Å; E226-R640 IonicContact OE1-NH2 3.94Å; E226-R640 IonicContact OE2-CZ 2.73Å; E226-R640 IonicContact OE2-NE 2.82Å; E226-R640 PolarHBondContact OE2-NE 2.7Å; E226-R640 IonicContact OE2-NH2 2.69Å; E226-R640 PolarHBondContact OE2-NH2 3.5Å
227	E	98.1	Very high	97.1	Very high	140 Å²	140	49.8 Å²	49.8	65%	0.654	26%	0.256	S	S	*	.	H	α-helix	trans	-59.2	-39.6	176	-70.2	179.4	179.5	0	0	111.8	D223 E230 K231	D223-E227 PolarHBondContact O-N 2.98Å; D223-E227 VanDerWaalsContact O-N 3.1Å; E227-E230 PolarHBondContact O-N 3.07Å; E227-K231 PolarHBondContact O-N 3.26Å
228	L	97.8	Very high	97.2	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-39.6	178.2	-168.9	66.4	0	0	0	112.1	M208 D211 M212 K215 A224 C225 E226 K231 A232	M208-L228 HydrophobicContact CE-CD1 3.71Å; M208-L228 HydrophobicContact CE-CG 3.82Å; M208-L228 WeakPolarHBondContact CE-O 3.35Å; M208-L228 HydrophobicContact CG-CD1 4.07Å; M208-L228 HydrophobicContact CG-CD2 4.45Å; M208-L228 HydrophobicContact CG-CG 4.3Å; D211-L228 HydrophobicContact CB-CD2 4.44Å; M212-L228 HydrophobicContact CB-CD2 3.6Å; M212-L228 HydrophobicContact CG-CD2 4.24Å; K215-L228 HydrophobicContact CD-CD2 4.45Å; A224-L228 WeakPolarHBondContact O-CB 3.11Å; A224-L228 PolarHBondContact O-N 3.37Å; A224-L228 VanDerWaalsContact O-N 3.16Å; C225-L228 PolarHBondContact O-N 2.83Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.26Å; L228-K231 PolarHBondContact O-N 2.79Å; L228-A232 PolarHBondContact O-N 3.06Å
229	I	97.8	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-43.5	173.5	-68.6	-65.9	0	0	0	110.9	M212 C225 E226 K231 A232 V233 F238 L632 C635 I639 F718	M212-I229 HydrophobicContact SD-CD1 3.69Å; M212-I229 HydrophobicContact SD-CG1 4.5Å; C225-I229 WeakPolarHBondContact O-CG1 3.42Å; C225-I229 PolarHBondContact O-N 3.15Å; E226-I229 PolarHBondContact O-N 3.24Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 2.88Å; I229-A232 VanDerWaalsContact O-CB 3.31Å; I229-A232 WeakPolarHBondContact O-CB 3.33Å; I229-A232 PolarHBondContact O-N 3.03Å; I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 3.34Å; I229-F238 HydrophobicContact CG2-CZ 4.28Å; I229-L632 HydrophobicContact CG2-CD1 3.88Å; I229-C635 HydrophobicContact CG2-CB 3.75Å; I229-I639 HydrophobicContact CG1-CD1 4.14Å; I229-F718 HydrophobicContact CD1-CE2 3.95Å; I229-F718 HydrophobicContact CD1-CZ 3.98Å
230	E	97.8	Very high	96.8	Very high	79 Å²	79	45.8 Å²	45.8	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-43.5	177.5	-174.5	163.5	164.3	0	0	111.3	E226 E227 A232 V233 N234 L632 K636	E226-E230 WeakPolarHBondContact O-CB 3.38Å; E226-E230 PolarHBondContact O-N 2.88Å; E227-E230 PolarHBondContact O-N 3.07Å; E230-A232 PolarHBondContact O-N 3.14Å; E230-V233 PolarHBondContact O-N 2.92Å; E230-N234 WeakPolarHBondContact O-CB 3.16Å; E230-N234 VanDerWaalsContact O-CG 3.24Å; E230-N234 PolarHBondContact O-N 3.17Å; E230-N234 PolarHBondContact O-ND2 3.06Å; E230-N234 VanDerWaalsContact O-ND2 3.17Å; E230-L632 HydrophobicContact CB-CD1 4.06Å; E230-L632 HydrophobicContact CG-CD1 4.49Å; E230-L632 HydrophobicContact CG-CD2 4.12Å; E230-K636 IonicContact OE2-NZ 3.52Å; E230-K636 PolarHBondContact OE2-NZ 2.87Å
231	K	97.6	Very high	96.7	Very high	121 Å²	121	47.5 Å²	47.5	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-45.8	170.6	-174.2	-178.3	176.7	-174.2	0	112.1	E227 L228 I229 V233 N234 D235	E227-K231 PolarHBondContact O-N 3.26Å; L228-K231 PolarHBondContact O-N 2.79Å; I229-K231 VanDerWaalsContact C-N 3.3Å; I229-K231 PolarHBondContact O-N 2.88Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 3.48Å; K231-N234 PolarHBondContact O-N 2.82Å; K231-D235 WeakPolarHBondContact O-CB 3.36Å; K231-D235 VanDerWaalsContact O-CG 3.29Å; K231-D235 PolarHBondContact O-N 3.41Å
232	A	97.5	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-43	179.4	0	0	0	0	0	113	M208 L228 I229 E230 D235 G236 L237 F238 F718	M208-A232 HydrophobicContact CE-CB 3.47Å; M208-A232 VanDerWaalsContact CE-CB 3.47Å; M208-A232 HydrophobicContact SD-CB 4.4Å; L228-A232 PolarHBondContact O-N 3.06Å; I229-A232 VanDerWaalsContact O-CB 3.31Å; I229-A232 WeakPolarHBondContact O-CB 3.33Å; I229-A232 PolarHBondContact O-N 3.03Å; E230-A232 PolarHBondContact O-N 3.14Å; A232-D235 PolarHBondContact O-N 3.01Å; A232-G236 PolarHBondContact O-N 3.48Å; A232-L237 HydrophobicContact CB-CB 4.45Å; A232-L237 HydrophobicContact CB-CD1 4.07Å; A232-L237 WeakPolarHBondContact O-CB 3.5Å; A232-L237 PolarHBondContact O-N 3.33Å; A232-F238 HydrophobicContact CB-CE2 4.1Å; A232-F718 HydrophobicContact CB-CE1 3.55Å; A232-F718 HydrophobicContact CB-CZ 3.7Å
233	V	96.6	Very high	95.9	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-44	179.4	173.5	0	0	0	0	110.5	I229 E230 K231 D235 G236 F238 K628 L632	I229-V233 HydrophobicContact CG2-CG2 4.42Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 3.34Å; E230-V233 PolarHBondContact O-N 2.92Å; K231-V233 VanDerWaalsContact C-N 3.32Å; K231-V233 PolarHBondContact O-N 3.48Å; V233-D235 VanDerWaalsContact C-N 3.35Å; V233-G236 PolarHBondContact O-N 3.13Å; V233-G236 VanDerWaalsContact O-N 3.09Å; V233-F238 HydrophobicContact CG2-CD1 3.79Å; V233-F238 HydrophobicContact CG2-CD2 4.19Å; V233-F238 HydrophobicContact CG2-CE1 3.79Å; V233-F238 HydrophobicContact CG2-CE2 4.19Å; V233-F238 HydrophobicContact CG2-CG 4Å; V233-F238 HydrophobicContact CG2-CZ 3.99Å; V233-K628 HydrophobicContact CG1-CB 3.83Å; V233-K628 HydrophobicContact CG1-CD 4.5Å; V233-K628 HydrophobicContact CG1-CG 4.38Å; V233-L632 HydrophobicContact CG1-CB 4.43Å; V233-L632 HydrophobicContact CG2-CB 4.27Å; V233-L632 HydrophobicContact CG2-CD1 4.29Å
234	N	96.5	Very high	95.4	Very high	114 Å²	114	47.7 Å²	47.7	61%	0.61	24%	0.243	S	C	*	.	H	α-helix	trans	-64.3	-38.4	177.4	-71.1	-26.2	0	0	0	112.3	E230 K231 G236	E230-N234 WeakPolarHBondContact O-CB 3.16Å; E230-N234 VanDerWaalsContact O-CG 3.24Å; E230-N234 PolarHBondContact O-N 3.17Å; E230-N234 PolarHBondContact O-ND2 3.06Å; E230-N234 VanDerWaalsContact O-ND2 3.17Å; K231-N234 PolarHBondContact O-N 2.82Å; N234-G236 PolarHBondContact O-N 3.04Å
235	D	96.4	Very high	94.9	Very high	103 Å²	103	49.5 Å²	49.5	55%	0.551	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.8	175.3	-68.8	-13.6	0	0	0	112.7	K231 A232 V233 L237	K231-D235 WeakPolarHBondContact O-CB 3.36Å; K231-D235 VanDerWaalsContact O-CG 3.29Å; K231-D235 PolarHBondContact O-N 3.41Å; A232-D235 PolarHBondContact O-N 3.01Å; V233-D235 VanDerWaalsContact C-N 3.35Å; D235-L237 HydrophobicContact CB-CG 4.35Å
236	G	95.6	Very high	94.4	Very high	16 Å²	16	57.5 Å²	57.5	17%	0.165	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	15.4	174.9	0	0	0	0	0	115	A232 V233 N234 F238 N239	A232-G236 PolarHBondContact O-N 3.48Å; V233-G236 PolarHBondContact O-N 3.13Å; V233-G236 VanDerWaalsContact O-N 3.09Å; N234-G236 PolarHBondContact O-N 3.04Å; G236-F238 PolarHBondContact O-N 3.47Å; G236-N239 VanDerWaalsContact O-CB 3.28Å; G236-N239 WeakPolarHBondContact O-CB 3.5Å; G236-N239 PolarHBondContact O-N 2.75Å; G236-N239 VanDerWaalsContact O-N 3.11Å; G236-N239 PolarHBondContact O-ND2 3.31Å; G236-N239 VanDerWaalsContact O-ND2 3.13Å
237	L	96.3	Very high	94	Very high	38 Å²	38	58.2 Å²	58.2	20%	0.199	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.7	-177.6	-60.2	-178.1	0	0	0	112.9	M208 A232 D235 N239 F718 P719 M722	M208-L237 HydrophobicContact CE-CD1 4.35Å; M208-L237 HydrophobicContact SD-CD1 3.51Å; M208-L237 VanDerWaalsContact SD-CD1 3.51Å; A232-L237 HydrophobicContact CB-CB 4.45Å; A232-L237 HydrophobicContact CB-CD1 4.07Å; A232-L237 WeakPolarHBondContact O-CB 3.5Å; A232-L237 PolarHBondContact O-N 3.33Å; D235-L237 HydrophobicContact CB-CG 4.35Å; L237-N239 VanDerWaalsContact C-N 3.3Å; L237-N239 PolarHBondContact O-N 2.98Å; L237-F718 HydrophobicContact CB-CD1 4.13Å; L237-F718 HydrophobicContact CB-CE1 4.39Å; L237-F718 HydrophobicContact CD1-CD1 4.13Å; L237-F718 HydrophobicContact CD1-CE1 3.96Å; L237-P719 WeakPolarHBondContact O-CD 3.44Å; L237-P719 WeakPolarHBondContact O-CG 3.39Å; L237-M722 HydrophobicContact CD1-CE 3.88Å; L237-M722 HydrophobicContact CD1-SD 4.18Å; L237-M722 HydrophobicContact CD2-SD 3.93Å
238	F	96.2	Very high	93.7	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.5	178.7	-77.3	-146.9	0	0	0	112.9	I229 A232 V233 G236 Q240 Y241 I242 L631 F717 F718	I229-F238 HydrophobicContact CG2-CZ 4.28Å; A232-F238 HydrophobicContact CB-CE2 4.1Å; V233-F238 HydrophobicContact CG2-CD1 3.79Å; V233-F238 HydrophobicContact CG2-CD2 4.19Å; V233-F238 HydrophobicContact CG2-CE1 3.79Å; V233-F238 HydrophobicContact CG2-CE2 4.19Å; V233-F238 HydrophobicContact CG2-CG 4Å; V233-F238 HydrophobicContact CG2-CZ 3.99Å; G236-F238 PolarHBondContact O-N 3.47Å; F238-Q240 VanDerWaalsContact C-N 3.32Å; F238-Q240 PolarHBondContact O-N 2.88Å; F238-Y241 PolarHBondContact O-N 3.44Å; F238-Y241 VanDerWaalsContact O-N 3.15Å; F238-I242 HydrophobicContact CB-CD1 4.33Å; F238-I242 VanDerWaalsContact O-CG1 3.3Å; F238-I242 WeakPolarHBondContact O-CG1 3.44Å; F238-I242 PolarHBondContact O-N 3.33Å; F238-L631 HydrophobicContact CD1-CB 3.94Å; F238-L631 HydrophobicContact CD1-CD1 3.98Å; F238-L631 HydrophobicContact CE1-CB 4.25Å; F238-F717 HydrophobicContact CD1-CB 3.9Å; F238-F717 HydrophobicContact CD1-CG 4.49Å; F238-F717 HydrophobicContact CD2-CB 4.23Å; F238-F717 HydrophobicContact CE1-CB 3.49Å; F238-F717 VanDerWaalsContact CE1-CB 3.49Å; F238-F717 HydrophobicContact CE1-CD1 4.36Å; F238-F717 AromaticContact CE1-CG 3.91Å; F238-F717 HydrophobicContact CE1-CG 3.91Å; F238-F717 HydrophobicContact CE2-CB 3.85Å; F238-F717 HydrophobicContact CG-CB 4.26Å; F238-F717 HydrophobicContact CZ-CB 3.46Å; F238-F717 VanDerWaalsContact CZ-CB 3.46Å; F238-F717 HydrophobicContact CZ-CG 4.18Å; F238-F718 HydrophobicContact CE2-CD2 4.14Å; F238-F718 HydrophobicContact CE2-CE1 4.24Å; F238-F718 AromaticContact CE2-CE2 3.82Å; F238-F718 HydrophobicContact CE2-CE2 3.82Å; F238-F718 HydrophobicContact CE2-CG 4.49Å; F238-F718 AromaticContact CE2-CZ 3.89Å; F238-F718 HydrophobicContact CE2-CZ 3.89Å; F238-F718 HydrophobicContact CZ-CE2 4.32Å
239	N	93.2	Very high	93.5	Very high	78 Å²	78	60.6 Å²	60.6	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-38	-174.9	-68.5	-17.1	0	0	0	112.7	G236 L237 I242 S243 K628	G236-N239 VanDerWaalsContact O-CB 3.28Å; G236-N239 WeakPolarHBondContact O-CB 3.5Å; G236-N239 PolarHBondContact O-N 2.75Å; G236-N239 VanDerWaalsContact O-N 3.11Å; G236-N239 PolarHBondContact O-ND2 3.31Å; G236-N239 VanDerWaalsContact O-ND2 3.13Å; L237-N239 VanDerWaalsContact C-N 3.3Å; L237-N239 PolarHBondContact O-N 2.98Å; N239-I242 PolarHBondContact O-N 2.92Å; N239-S243 WeakPolarHBondContact O-CB 3.28Å; N239-S243 PolarHBondContact O-N 3.45Å; N239-S243 PolarHBondContact O-OG 3.38Å; N239-K628 WeakPolarHBondContact OD1-CE 3.31Å; N239-K628 PolarHBondContact OD1-NZ 3.06Å
240	Q	91.3	Very high	93.3	Very high	62 Å²	62	68.3 Å²	68.3	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-45.1	175.6	175	176.9	-28.7	0	0	111.1	F238 S243 Q244 D720	F238-Q240 VanDerWaalsContact C-N 3.32Å; F238-Q240 PolarHBondContact O-N 2.88Å; Q240-S243 PolarHBondContact O-N 2.92Å; Q240-S243 PolarHBondContact O-OG 3.43Å; Q240-Q244 WeakPolarHBondContact O-CG 3.16Å; Q240-Q244 PolarHBondContact O-N 2.79Å; Q240-D720 PolarHBondContact NE2-OD2 2.91Å
241	Y	93.3	Very high	93.2	Very high	52 Å²	52	65.7 Å²	65.7	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-48.6	177.5	177.7	-92.6	0	0	0	110.7	F238 S243 Q244 Q245 L631 N716 F717	F238-Y241 PolarHBondContact O-N 3.44Å; F238-Y241 VanDerWaalsContact O-N 3.15Å; Y241-S243 VanDerWaalsContact C-N 3.33Å; Y241-S243 PolarHBondContact O-N 2.86Å; Y241-Q244 PolarHBondContact O-N 2.94Å; Y241-Q244 VanDerWaalsContact O-N 3.12Å; Y241-Q245 HydrophobicContact CD1-CG 4.11Å; Y241-Q245 VanDerWaalsContact CE1-CD 3.42Å; Y241-Q245 HydrophobicContact CE1-CG 3.82Å; Y241-Q245 VanDerWaalsContact CE2-NE2 3.33Å; Y241-Q245 VanDerWaalsContact CZ-CD 3.48Å; Y241-Q245 VanDerWaalsContact O-CG 3.32Å; Y241-Q245 WeakPolarHBondContact O-CG 3.35Å; Y241-Q245 PolarHBondContact O-N 3.48Å; Y241-Q245 PolarHBondContact O-NE2 3.08Å; Y241-Q245 PolarHBondContact OH-OE1 2.98Å; Y241-L631 HydrophobicContact CD1-CD1 3.88Å; Y241-L631 HydrophobicContact CE1-CD1 4.2Å; Y241-L631 HydrophobicContact CE1-CD2 4.06Å; Y241-N716 WeakPolarHBondContact CD2-O 3.2Å; Y241-F717 WeakPolarHBondContact CB-O 3.47Å; Y241-F717 AromaticContact CD1-CD1 3.8Å; Y241-F717 HydrophobicContact CD1-CD1 3.8Å; Y241-F717 HydrophobicContact CD1-CE1 4.48Å; Y241-F717 HydrophobicContact CD2-CD1 4.26Å; Y241-F717 AromaticContact CE1-CD1 3.53Å; Y241-F717 HydrophobicContact CE1-CD1 3.53Å; Y241-F717 AromaticContact CE1-CE1 3.76Å; Y241-F717 HydrophobicContact CE1-CE1 3.76Å; Y241-F717 AromaticContact CE2-CD1 3.99Å; Y241-F717 HydrophobicContact CE2-CD1 3.99Å; Y241-F717 HydrophobicContact CE2-CE1 4.33Å; Y241-F717 HydrophobicContact CG-CD1 4.15Å; Y241-F717 AromaticContact CZ-CD1 3.62Å; Y241-F717 AromaticContact CZ-CE1 3.66Å
242	I	93	Very high	93.1	Very high	24 Å²	24	62.7 Å²	62.7	12%	0.123	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-46.9	178.2	-67.2	165.1	0	0	0	110.6	F238 N239 Q244 Q245 R625 K628 L631	F238-I242 HydrophobicContact CB-CD1 4.33Å; F238-I242 VanDerWaalsContact O-CG1 3.3Å; F238-I242 WeakPolarHBondContact O-CG1 3.44Å; F238-I242 PolarHBondContact O-N 3.33Å; N239-I242 PolarHBondContact O-N 2.92Å; I242-Q244 PolarHBondContact O-N 3.28Å; I242-Q245 WeakPolarHBondContact O-CB 3.25Å; I242-Q245 PolarHBondContact O-N 3.45Å; I242-Q245 VanDerWaalsContact O-N 3.09Å; I242-R625 HydrophobicContact CG2-CB 3.98Å; I242-R625 WeakPolarHBondContact O-CD 3.49Å; I242-R625 PolarHBondContact O-NE 3.44Å; I242-K628 HydrophobicContact CD1-CG 3.9Å; I242-L631 HydrophobicContact CD1-CD1 3.9Å; I242-L631 HydrophobicContact CG1-CD1 3.39Å
243	S	86.7	Confident	93.1	Very high	46 Å²	46	66.4 Å²	66.4	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-68.2	-18.7	-178.3	74.8	0	0	0	0	114	N239 Q240 Y241 R625	N239-S243 WeakPolarHBondContact O-CB 3.28Å; N239-S243 PolarHBondContact O-N 3.45Å; N239-S243 PolarHBondContact O-OG 3.38Å; Q240-S243 PolarHBondContact O-N 2.92Å; Q240-S243 PolarHBondContact O-OG 3.43Å; Y241-S243 VanDerWaalsContact C-N 3.33Å; Y241-S243 PolarHBondContact O-N 2.86Å; S243-R625 PolarHBondContact O-NH2 3.33Å; S243-R625 VanDerWaalsContact O-NH2 3.07Å
244	Q	86.4	Confident	93.1	Very high	83 Å²	83	67.2 Å²	67.2	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-89.4	-11.3	174.7	-69.7	174.9	-6.4	0	0	113.1	Q240 Y241 I242	Q240-Q244 WeakPolarHBondContact O-CG 3.16Å; Q240-Q244 PolarHBondContact O-N 2.79Å; Y241-Q244 PolarHBondContact O-N 2.94Å; Y241-Q244 VanDerWaalsContact O-N 3.12Å; I242-Q244 PolarHBondContact O-N 3.28Å
245	Q	88.4	Confident	92.9	Very high	52 Å²	52	67.2 Å²	67.2	24%	0.243	33%	0.331	C	S	.	.	S	Bend	trans	-72.3	148.7	177.5	-57.7	-47.3	-70	0	0	111.7	Y241 I242 R625 P626	Y241-Q245 HydrophobicContact CD1-CG 4.11Å; Y241-Q245 VanDerWaalsContact CE1-CD 3.42Å; Y241-Q245 HydrophobicContact CE1-CG 3.82Å; Y241-Q245 VanDerWaalsContact CE2-NE2 3.33Å; Y241-Q245 VanDerWaalsContact CZ-CD 3.48Å; Y241-Q245 VanDerWaalsContact O-CG 3.32Å; Y241-Q245 WeakPolarHBondContact O-CG 3.35Å; Y241-Q245 PolarHBondContact O-N 3.48Å; Y241-Q245 PolarHBondContact O-NE2 3.08Å; Y241-Q245 PolarHBondContact OH-OE1 2.98Å; I242-Q245 WeakPolarHBondContact O-CB 3.25Å; I242-Q245 PolarHBondContact O-N 3.45Å; I242-Q245 VanDerWaalsContact O-N 3.09Å; Q245-R625 HydrophobicContact CB-CG 4.47Å; Q245-R625 PolarHBondContact O-NE 3.16Å; Q245-R625 VanDerWaalsContact O-NE 3.11Å; Q245-P626 HydrophobicContact CB-CG 4.34Å; Q245-P626 HydrophobicContact CG-CG 4.17Å
246	E	87	Confident	92.8	Very high	168 Å²	168	63.6 Å²	63.6	79%	0.785	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-63.7	140.6	171	-63.5	-174.6	162.5	0	0	110.6
247	Y	90.8	Very high	92.5	Very high	25 Å²	25	68 Å²	68	10%	0.098	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.5	144.7	172.4	-75.4	-78.3	0	0	0	110.8	E526 I550 L623 R625	Y247-E526 PolarHBondContact OH-OE1 2.99Å; Y247-E526 PolarHBondContact OH-OE2 2.92Å; Y247-I550 HydrophobicContact CD2-CD1 3.18Å; Y247-I550 HydrophobicContact CE2-CD1 3.46Å; Y247-I550 VanDerWaalsContact CE2-CD1 3.46Å; Y247-I550 HydrophobicContact CG-CD1 3.94Å; Y247-L623 HydrophobicContact CD1-CB 3.57Å; Y247-L623 HydrophobicContact CE1-CB 3.93Å; Y247-L623 HydrophobicContact CG-CB 4.09Å; Y247-R625 HydrophobicContact CD1-CG 3.74Å; Y247-R625 HydrophobicContact CE1-CG 3.87Å; Y247-R625 VanDerWaalsContact CE2-CZ 3.44Å; Y247-R625 HydrophobicContact CG-CG 4.29Å; Y247-R625 PolarHBondContact OH-NH1 2.89Å; Y247-R625 VanDerWaalsContact OH-NH1 3.14Å
248	K	90.8	Very high	91.8	Very high	160 Å²	160	70.3 Å²	70.3	70%	0.696	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.8	165.1	-65.6	-173.3	177.3	-176.5	0	109.3	C624	K248-C624 PolarHBondContact N-O 2.82Å; K248-C624 PolarHBondContact O-N 2.92Å
249	P	93.3	Very high	90.6	Very high	46 Å²	46	74.7 Å²	74.7	30%	0.299	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.2	177	34.9	-37.6	0	0	0	110.3	V561 Y562 L621	P249-V561 HydrophobicContact CB-CG1 4.33Å; P249-V561 HydrophobicContact CG-CG1 4.43Å; P249-Y562 HydrophobicContact CB-CD1 3.92Å; P249-Y562 HydrophobicContact CG-CD1 3.96Å; P249-Y562 HydrophobicContact CG-CG 4.09Å; P249-L621 HydrophobicContact CB-CD1 3.62Å
250	R	93.9	Very high	89.4	Confident	163 Å²	163	75.7 Å²	75.7	62%	0.615	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	100.5	167.6	-173.9	-178.3	-64.2	-169.3	-1.1	109	L621 K622	R250-L621 WeakPolarHBondContact O-CA 3.34Å; R250-K622 PolarHBondContact N-O 3.07Å; R250-K622 PolarHBondContact O-N 3.02Å
251	W	95.3	Very high	87.9	Confident	23 Å²	23	75.7 Å²	75.7	9%	0.087	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.5	173.6	-71.1	105	0	0	0	110.7	Y562 E579 E580 P581 L600 W619 S620 L621	W251-Y562 AromaticContact CE2-CE1 3.98Å; W251-Y562 AromaticContact CZ2-CE1 3.82Å; W251-Y562 HydrophobicContact CZ2-CE1 3.82Å; W251-Y562 AromaticContact CZ2-CZ 3.87Å; W251-Y562 VanDerWaalsContact CZ2-OH 3.24Å; W251-Y562 WeakPolarHBondContact CZ2-OH 3.49Å; W251-Y562 AromaticContact NE1-CE1 3.51Å; W251-Y562 AromaticContact NE1-CZ 3.57Å; W251-E579 WeakPolarHBondContact CB-O 3.33Å; W251-E580 HydrophobicContact CB-CB 4.32Å; W251-E580 HydrophobicContact CG-CB 4.15Å; W251-P581 HydrophobicContact CD2-CG 3.79Å; W251-P581 HydrophobicContact CE3-CG 3.68Å; W251-P581 HydrophobicContact CG-CG 4.49Å; W251-P581 HydrophobicContact CH2-CG 3.95Å; W251-P581 HydrophobicContact CZ2-CG 4.02Å; W251-P581 HydrophobicContact CZ3-CG 3.76Å; W251-L600 HydrophobicContact CH2-CD2 4.03Å; W251-L600 HydrophobicContact CZ3-CB 4.26Å; W251-L600 HydrophobicContact CZ3-CD2 3.97Å; W251-W619 HydrophobicContact CB-CE3 4.33Å; W251-W619 HydrophobicContact CB-CZ3 4.49Å; W251-W619 HydrophobicContact CE3-CB 4.05Å; W251-W619 HydrophobicContact CZ3-CB 4.1Å; W251-S620 CarbonylContact C-O 3.54Å; W251-S620 WeakPolarHBondContact CA-O 3.4Å; W251-L621 HydrophobicContact CD2-CB 3.95Å; W251-L621 HydrophobicContact CD2-CD1 4Å; W251-L621 HydrophobicContact CD2-CG 4.47Å; W251-L621 HydrophobicContact CE3-CB 3.61Å; W251-L621 HydrophobicContact CG-CD1 4.32Å; W251-L621 HydrophobicContact CH2-CB 3.67Å; W251-L621 HydrophobicContact CH2-CD2 3.79Å; W251-L621 HydrophobicContact CH2-CG 4.22Å; W251-L621 HydrophobicContact CZ2-CB 4.01Å; W251-L621 HydrophobicContact CZ2-CD1 4.11Å; W251-L621 HydrophobicContact CZ2-CD2 3.63Å; W251-L621 HydrophobicContact CZ2-CG 4.13Å; W251-L621 HydrophobicContact CZ3-CB 3.46Å; W251-L621 VanDerWaalsContact CZ3-CB 3.46Å; W251-L621 HydrophobicContact CZ3-CD2 4.46Å; W251-L621 HydrophobicContact CZ3-CG 4.45Å
252	S	96.4	Very high	86.2	Confident	58 Å²	58	82.2 Å²	82.2	41%	0.406	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	122.3	170.9	-62.9	0	0	0	0	109.5	I254 S620	S252-I254 PolarHBondContact O-N 3.35Å; S252-S620 PolarHBondContact N-O 3.36Å; S252-S620 PolarHBondContact O-N 3.15Å; S252-S620 PolarHBondContact O-OG 3.07Å; S252-S620 VanDerWaalsContact O-OG 3.11Å
253	Q	96.7	Very high	84.6	Confident	79 Å²	79	84.7 Å²	84.7	37%	0.369	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131.7	175.2	-163.5	175.9	14.8	0	0	109.4	I255 W619	Q253-I255 HydrophobicContact CG-CD1 4.07Å; Q253-W619 HydrophobicContact CB-CD2 4.08Å; Q253-W619 HydrophobicContact CB-CE3 3.83Å; Q253-W619 HydrophobicContact CB-CH2 3.84Å; Q253-W619 HydrophobicContact CB-CZ2 4.08Å; Q253-W619 HydrophobicContact CB-CZ3 3.7Å; Q253-W619 HydrophobicContact CG-CD2 4.18Å; Q253-W619 HydrophobicContact CG-CE3 4.43Å; Q253-W619 HydrophobicContact CG-CH2 4.26Å; Q253-W619 HydrophobicContact CG-CZ2 3.99Å; Q253-W619 HydrophobicContact CG-CZ3 4.47Å; Q253-W619 VanDerWaalsContact N-CE3 3.34Å
254	I	96.6	Very high	83.5	Confident	20 Å²	20	87.5 Å²	87.5	10%	0.103	47%	0.469	C	S	.	.			trans	-93.5	121.3	177.6	-56.4	178.3	0	0	0	107.3	S252 P256 Y303 Y599 F618	S252-I254 PolarHBondContact O-N 3.35Å; I254-P256 WeakPolarHBondContact O-CD 3.38Å; I254-Y303 HydrophobicContact CG2-CE2 4.21Å; I254-Y303 VanDerWaalsContact CG2-OH 3.27Å; I254-Y303 WeakPolarHBondContact CG2-OH 3.48Å; I254-Y599 HydrophobicContact CD1-CD1 3.6Å; I254-Y599 HydrophobicContact CD1-CE1 3.73Å; I254-F618 HydrophobicContact CB-CB 4.32Å; I254-F618 HydrophobicContact CB-CD1 3.73Å; I254-F618 HydrophobicContact CB-CE1 4.4Å; I254-F618 HydrophobicContact CB-CG 4.22Å; I254-F618 HydrophobicContact CD1-CD1 3.78Å; I254-F618 HydrophobicContact CD1-CE1 3.68Å; I254-F618 HydrophobicContact CD1-CG 4.27Å; I254-F618 HydrophobicContact CD1-CZ 4.1Å; I254-F618 HydrophobicContact CG1-CD1 4.32Å; I254-F618 HydrophobicContact CG2-CD1 3.72Å; I254-F618 HydrophobicContact CG2-CE1 4.16Å; I254-F618 PolarHBondContact N-O 3.02Å
255	I	94.1	Very high	82.8	Confident	115 Å²	115	88.6 Å²	88.6	59%	0.59	48%	0.478	S	S	*	.			trans	-109	101.2	173	-52.6	-60.1	0	0	0	107.9	Q253 N308	Q253-I255 HydrophobicContact CG-CD1 4.07Å; I255-N308 PolarHBondContact O-ND2 2.93Å
256	P	92.9	Very high	82.8	Confident	26 Å²	26	87.5 Å²	87.5	17%	0.169	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-64.5	145.7	179.7	-21.2	33.8	0	0	0	111.9	I254 Y303 N308	I254-P256 WeakPolarHBondContact O-CD 3.38Å; P256-Y303 HydrophobicContact CB-CE2 4.39Å; P256-Y303 HydrophobicContact CG-CE2 4.27Å; P256-N308 WeakPolarHBondContact CA-O 3.43Å; P256-N308 WeakPolarHBondContact CA-OD1 3.12Å
257	K	90.3	Very high	83.1	Confident	109 Å²	109	85 Å²	85	47%	0.474	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.2	173.4	-59	171.4	-173.3	153.1	0	109.8	E307 N308 Q309	K257-E307 PolarHBondContact NZ-O 2.84Å; K257-N308 PolarHBondContact N-O 3.01Å; K257-Q309 HydrophobicContact CB-CG 3.81Å; K257-Q309 HydrophobicContact CD-CG 4.41Å
258	S	82.3	Confident	83.4	Confident	87 Å²	87	83.9 Å²	83.9	61%	0.608	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-95	122.3	174.1	-173.4	0	0	0	0	109.7	N266	S258-N266 PolarHBondContact OG-ND2 3.12Å
259	T	71.1	Confident	83.6	Confident	92 Å²	92	78 Å²	78	56%	0.564	44%	0.437	S	S	*	.			trans	-110.1	-21.1	-179	47.6	0	0	0	0	114.6
260	K	66.8	Low	83.8	Confident	100 Å²	100	80 Å²	80	44%	0.435	44%	0.444	S	S	.	.	S	Bend	trans	-100.3	149.3	-179.8	-49.8	-179.3	172.4	-179.6	0	111.6	E264 N266	K260-E264 HydrophobicContact CD-CB 4.07Å; K260-E264 WeakPolarHBondContact CD-OE2 3.3Å; K260-E264 WeakPolarHBondContact CE-OE2 3.24Å; K260-E264 IonicContact NZ-OE2 3.83Å; K260-E264 PolarHBondContact NZ-OE2 2.98Å; K260-N266 WeakPolarHBondContact CB-OD1 3.46Å; K260-N266 WeakPolarHBondContact CD-OD1 3.37Å; K260-N266 WeakPolarHBondContact CG-OD1 3.25Å; K260-N266 PolarHBondContact N-ND2 2.72Å; K260-N266 PolarHBondContact O-ND2 3.24Å
261	G	59.5	Low	84	Confident	61 Å²	61	72.4 Å²	72.4	63%	0.629	42%	0.415	S	S	*	.			trans	-61.7	169.7	174.2	0	0	0	0	0	112.9	G263	G261-G263 PolarHBondContact O-N 3.46Å
262	D	58.1	Low	84.1	Confident	189 Å²	189	71.4 Å²	71.4	100%	1.011	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	21.1	-163.6	-66.3	-32	0	0	0	118.5
263	G	59.3	Low	84	Confident	77 Å²	77	68.9 Å²	68.9	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-14.4	-175.1	0	0	0	0	0	117.6	G261	G261-G263 PolarHBondContact O-N 3.46Å
264	E	63.8	Low	84.1	Confident	105 Å²	105	65.1 Å²	65.1	49%	0.491	38%	0.377	S	S	.	.	S	Bend	trans	-115.3	137.7	176.6	-74.6	-169.5	-176.4	0	0	111.4	K260 N266	K260-E264 HydrophobicContact CD-CB 4.07Å; K260-E264 WeakPolarHBondContact CD-OE2 3.3Å; K260-E264 WeakPolarHBondContact CE-OE2 3.24Å; K260-E264 IonicContact NZ-OE2 3.83Å; K260-E264 PolarHBondContact NZ-OE2 2.98Å; E264-N266 PolarHBondContact O-N 3.38Å
265	D	72.7	Confident	84.2	Confident	106 Å²	106	64.4 Å²	64.4	57%	0.567	37%	0.374	S	S	*	.			trans	-59.8	117.8	170.5	-54.4	-53.1	0	0	0	109.1	R267 W301 R315	D265-R267 VanDerWaalsContact C-N 3.27Å; D265-W301 HydrophobicContact CB-CH2 4.3Å; D265-W301 WeakPolarHBondContact O-CH2 3.27Å; D265-R315 PolarHBondContact O-NH2 3.05Å; D265-R315 VanDerWaalsContact O-NH2 3.12Å; D265-R315 IonicContact OD2-NH1 3.27Å; D265-R315 PolarHBondContact OD2-NH1 2.92Å; D265-R315 VanDerWaalsContact OD2-NH1 3.07Å
266	N	86.8	Confident	84.5	Confident	29 Å²	29	59.1 Å²	59.1	16%	0.155	35%	0.346	C	S	.	.	S	Bend	trans	-87.8	4.5	177.6	-71.9	-39.2	0	0	0	113	S258 K260 E264 W310	S258-N266 PolarHBondContact OG-ND2 3.12Å; K260-N266 WeakPolarHBondContact CB-OD1 3.46Å; K260-N266 WeakPolarHBondContact CD-OD1 3.37Å; K260-N266 WeakPolarHBondContact CG-OD1 3.25Å; K260-N266 PolarHBondContact N-ND2 2.72Å; K260-N266 PolarHBondContact O-ND2 3.24Å; E264-N266 PolarHBondContact O-N 3.38Å; N266-W310 WeakPolarHBondContact O-CB 3.48Å
267	R	93.5	Very high	84.7	Confident	116 Å²	116	58.3 Å²	58.3	44%	0.438	34%	0.341	S	S	.	.	S	Bend	trans	-156.3	157.4	-179.2	64.4	-171.7	-175.5	95.6	9.3	110.7	D265 W310 D616	D265-R267 VanDerWaalsContact C-N 3.27Å; R267-W310 HydrophobicContact CB-CB 4.43Å; R267-W310 HydrophobicContact CB-CG 4.2Å; R267-D616 IonicContact CZ-OD2 3.43Å; R267-D616 PolarHBondContact NH1-O 2.93Å; R267-D616 IonicContact NH1-OD2 3.45Å; R267-D616 PolarHBondContact NH1-OD2 3.5Å; R267-D616 IonicContact NH2-OD2 3.85Å; R267-D616 PolarHBondContact NH2-OD2 3.44Å
268	P	97	Very high	85.1	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	32%	0.322	C	S	.	.			trans	-59.6	137.9	174.9	-14.8	23.9	0	0	0	111.6	L287 W301 W310 F601	P268-L287 HydrophobicContact CB-CD1 4.41Å; P268-L287 HydrophobicContact CB-CD2 4.2Å; P268-L287 HydrophobicContact CG-CD1 4.32Å; P268-L287 HydrophobicContact CG-CD2 4.42Å; P268-W301 HydrophobicContact CB-CD2 4.26Å; P268-W301 HydrophobicContact CB-CG 4.21Å; P268-W301 HydrophobicContact CG-CB 3.97Å; P268-W301 HydrophobicContact CG-CD2 3.76Å; P268-W301 HydrophobicContact CG-CE3 4.16Å; P268-W301 HydrophobicContact CG-CG 3.66Å; P268-W310 HydrophobicContact CG-CD2 3.78Å; P268-W310 HydrophobicContact CG-CE3 3.67Å; P268-W310 HydrophobicContact CG-CG 4.43Å; P268-W310 HydrophobicContact CG-CH2 4.17Å; P268-W310 HydrophobicContact CG-CZ2 4.26Å; P268-W310 HydrophobicContact CG-CZ3 3.88Å; P268-F601 HydrophobicContact CB-CE1 4.2Å; P268-F601 HydrophobicContact CB-CZ 3.88Å; P268-F601 HydrophobicContact CG-CZ 4.36Å
269	G	95.9	Very high	85.9	Confident	35 Å²	35	49.7 Å²	49.7	36%	0.361	29%	0.293	S	S	.	.			trans	-76	-177.2	173.9	0	0	0	0	0	114.6	R271	G269-R271 PolarHBondContact O-NE 3.3Å
270	M	97.3	Very high	87.1	Confident	90 Å²	90	46.3 Å²	46.3	44%	0.443	27%	0.272	S	S	.	.	S	Bend	trans	-58.9	132	-178.5	-59.4	162.6	76	0	0	111.7	D292 R614 L615 D616	M270-D292 VanDerWaalsContact O-CA 3.32Å; M270-D292 WeakPolarHBondContact O-CA 3.12Å; M270-D292 VanDerWaalsContact O-CB 3.31Å; M270-D292 WeakPolarHBondContact O-CB 3.29Å; M270-R614 HydrophobicContact CB-CB 3.89Å; M270-R614 WeakPolarHBondContact CE-O 3.06Å; M270-L615 WeakPolarHBondContact CA-O 3.49Å; M270-D616 HydrophobicContact CB-CB 4.42Å; M270-D616 HydrophobicContact CG-CB 3.95Å
271	R	98.3	Very high	88.5	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-161.4	155.5	-178.1	57.8	-172.1	77.7	-144.2	0.5	114	G269 H274 G289 W291 L297 D299 F601 G603 L615	G269-R271 PolarHBondContact O-NE 3.3Å; R271-H274 HydrophobicContact CG-CB 4.09Å; R271-H274 WeakPolarHBondContact CG-ND1 3.24Å; R271-G289 PolarHBondContact NH1-O 2.91Å; R271-W291 CarbonylContact C-O 3.46Å; R271-W291 VanDerWaalsContact CA-O 3.31Å; R271-W291 WeakPolarHBondContact CA-O 3.09Å; R271-L297 HydrophobicContact CB-CD1 4.07Å; R271-D299 IonicContact CZ-OD1 3.61Å; R271-D299 IonicContact CZ-OD2 2.8Å; R271-D299 IonicContact NH1-OD1 2.71Å; R271-D299 PolarHBondContact NH1-OD1 2.95Å; R271-D299 IonicContact NH1-OD2 3.01Å; R271-D299 PolarHBondContact NH1-OD2 3.35Å; R271-D299 IonicContact NH2-OD1 3.81Å; R271-D299 IonicContact NH2-OD2 2.87Å; R271-D299 PolarHBondContact NH2-OD2 3.4Å; R271-F601 HydrophobicContact CG-CD1 4.35Å; R271-F601 HydrophobicContact CG-CE1 3.83Å; R271-G603 PolarHBondContact O-N 3.29Å; R271-L615 PolarHBondContact N-O 2.96Å; R271-L615 VanDerWaalsContact N-O 3.07Å
272	G	96.5	Very high	90.2	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-138.6	155.2	167.4	0	0	0	0	0	110.8	H274 G290 W291 A586	G272-H274 PolarHBondContact O-N 3.4Å; G272-G290 CarbonylContact O-C 3.5Å; G272-G290 WeakPolarHBondContact O-CA 3.43Å; G272-W291 PolarHBondContact N-O 3.03Å; G272-W291 PolarHBondContact O-N 2.87Å; G272-A586 CarbonylContact C-O 3.54Å; G272-A586 WeakPolarHBondContact CA-O 3.48Å
273	G	96	Very high	92.1	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	68.9	11.7	-175.4	0	0	0	0	0	114.2	C328 A586	G273-C328 PolarHBondContact O-N 3.2Å; G273-A586 PolarHBondContact N-O 3.39Å
274	H	98.5	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.			trans	-72.5	165.1	168	63.4	-79.7	0	0	0	110	R271 G272 G289 F601	R271-H274 HydrophobicContact CG-CB 4.09Å; R271-H274 WeakPolarHBondContact CG-ND1 3.24Å; G272-H274 PolarHBondContact O-N 3.4Å; H274-G289 WeakPolarHBondContact CB-O 3.42Å; H274-F601 PolarHBondContact CE1-O 3.36Å; H274-F601 AromaticContact NE2-CD1 3.58Å; H274-F601 PolarHBondContact NE2-O 2.8Å
275	Q	98.6	Very high	95.7	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.8	175.5	-64.1	-60.3	-48.9	0	0	111.2	L287 F288 H329 M331	Q275-L287 WeakPolarHBondContact O-CA 2.84Å; Q275-F288 PolarHBondContact N-O 3.49Å; Q275-F288 VanDerWaalsContact N-O 3.14Å; Q275-F288 PolarHBondContact O-N 2.59Å; Q275-H329 WeakPolarHBondContact CG-NE2 3.42Å; Q275-H329 WeakPolarHBondContact CG-O 3.31Å; Q275-H329 PolarHBondContact NE2-O 2.74Å; Q275-M331 HydrophobicContact CB-CB 4.01Å; Q275-M331 HydrophobicContact CB-CG 3.69Å; Q275-M331 HydrophobicContact CB-SD 3.47Å; Q275-M331 WeakPolarHBondContact CB-SD 3.44Å; Q275-M331 HydrophobicContact CG-CG 4.38Å
276	M	98.7	Very high	96.9	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.4	172.9	-56.1	-171.5	-54.8	0	0	109.4	V285 Y286 L287 Q588 V590 Y599 F601	M276-V285 HydrophobicContact CB-CG1 4.18Å; M276-V285 HydrophobicContact CG-CG1 4.41Å; M276-V285 HydrophobicContact SD-CG1 3.83Å; M276-Y286 CarbonylContact C-O 3.55Å; M276-Y286 WeakPolarHBondContact CA-O 3.35Å; M276-Y286 WeakPolarHBondContact CB-O 3.49Å; M276-L287 HydrophobicContact CG-CB 4.05Å; M276-L287 HydrophobicContact CG-CD1 4.07Å; M276-L287 HydrophobicContact CG-CG 4.1Å; M276-L287 HydrophobicContact SD-CD1 4.11Å; M276-Q588 HydrophobicContact CB-CB 4.43Å; M276-Q588 HydrophobicContact CB-CG 3.65Å; M276-Q588 HydrophobicContact CE-CB 3.93Å; M276-Q588 HydrophobicContact CE-CG 3.87Å; M276-Q588 WeakPolarHBondContact CE-O 3.28Å; M276-Q588 HydrophobicContact CG-CB 4.1Å; M276-Q588 HydrophobicContact CG-CG 3.87Å; M276-Q588 PolarHBondContact O-NE2 2.98Å; M276-Q588 VanDerWaalsContact O-NE2 3.14Å; M276-V590 HydrophobicContact CB-CG1 3.69Å; M276-V590 HydrophobicContact CE-CG1 4.27Å; M276-V590 HydrophobicContact CE-CG2 4.08Å; M276-V590 WeakPolarHBondContact O-CG1 3.07Å; M276-Y599 WeakPolarHBondContact CE-O 3.15Å; M276-F601 HydrophobicContact CE-CB 4.01Å; M276-F601 HydrophobicContact SD-CB 3.6Å; M276-F601 VanDerWaalsContact SD-CB 3.6Å; M276-F601 HydrophobicContact SD-CG 4.48Å
277	V	98.7	Very high	97.5	Very high	9 Å²	9	27.7 Å²	27.7	6%	0.055	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.1	167.9	-65.3	0	0	0	0	108.1	V285 Y286 M331 I333 I340	V277-V285 CarbonylContact O-C 3.59Å; V277-V285 WeakPolarHBondContact O-CA 3.24Å; V277-Y286 HydrophobicContact CG2-CD2 4.45Å; V277-Y286 PolarHBondContact N-O 2.81Å; V277-Y286 VanDerWaalsContact N-O 3.07Å; V277-Y286 PolarHBondContact O-N 2.84Å; V277-M331 HydrophobicContact CG1-CB 3.72Å; V277-M331 HydrophobicContact CG2-CE 4.04Å; V277-I333 HydrophobicContact CB-CB 4.06Å; V277-I333 HydrophobicContact CB-CG2 4.02Å; V277-I333 HydrophobicContact CG1-CB 4.43Å; V277-I333 HydrophobicContact CG1-CG2 4.5Å; V277-I333 HydrophobicContact CG2-CB 4.17Å; V277-I340 HydrophobicContact CG2-CD1 3.77Å; V277-I340 HydrophobicContact CG2-CG1 3.98Å; V277-I340 HydrophobicContact CG2-CG2 4.11Å
278	I	98.4	Very high	97.7	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.082	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.3	178.8	-173.9	169.3	0	0	0	110	V280 T284 V285 V590 Y591 D592 Y599	I278-V280 HydrophobicContact CG1-CG1 4.42Å; I278-V280 HydrophobicContact CG2-CG1 3.99Å; I278-T284 WeakPolarHBondContact CA-O 3.49Å; I278-V285 HydrophobicContact CB-CG2 4.32Å; I278-V285 HydrophobicContact CD1-CG2 3.89Å; I278-V285 HydrophobicContact CG1-CG2 4.02Å; I278-V590 HydrophobicContact CB-CB 4.27Å; I278-V590 HydrophobicContact CB-CG2 4.11Å; I278-V590 HydrophobicContact CG2-CB 4.04Å; I278-V590 HydrophobicContact CG2-CG2 4.33Å; I278-Y591 WeakPolarHBondContact CG2-O 2.98Å; I278-D592 HydrophobicContact CD1-CB 3.87Å; I278-Y599 HydrophobicContact CD1-CD2 3.96Å; I278-Y599 HydrophobicContact CD1-CE2 3.89Å
279	D	98.1	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	101.7	161.9	-176.7	-25.9	0	0	0	108.2	Q281 T282 E283 T284 Y286 I333 I335 R338	D279-Q281 VanDerWaalsContact C-N 3.25Å; D279-Q281 PolarHBondContact O-N 3.01Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.4Å; D279-Q281 PolarHBondContact OD1-N 3.45Å; D279-T282 VanDerWaalsContact CG-OG1 3.22Å; D279-T282 PolarHBondContact OD1-N 2.85Å; D279-T282 VanDerWaalsContact OD1-N 3.13Å; D279-T282 PolarHBondContact OD2-OG1 3.46Å; D279-E283 VanDerWaalsContact O-CA 3.28Å; D279-E283 WeakPolarHBondContact O-CA 3.33Å; D279-E283 PolarHBondContact O-N 3.21Å; D279-T284 PolarHBondContact N-O 3.32Å; D279-T284 PolarHBondContact O-N 2.9Å; D279-Y286 HydrophobicContact CB-CE2 4.19Å; D279-I333 HydrophobicContact CB-CD1 4.13Å; D279-I335 HydrophobicContact CB-CD1 3.97Å; D279-I335 VanDerWaalsContact OD1-CD1 3.23Å; D279-I335 WeakPolarHBondContact OD1-CD1 3.16Å; D279-R338 IonicContact OD1-NH1 3.88Å; D279-R338 IonicContact OD2-CZ 3.66Å; D279-R338 VanDerWaalsContact OD2-CZ 3.29Å; D279-R338 IonicContact OD2-NH1 3.68Å; D279-R338 PolarHBondContact OD2-NH1 2.92Å; D279-R338 IonicContact OD2-NH2 2.72Å; D279-R338 PolarHBondContact OD2-NH2 2.68Å
280	V	96.3	Very high	97.9	Very high	20 Å²	20	20.4 Å²	20.4	12%	0.121	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.1	-176.8	-60.1	0	0	0	0	113	I278 I335	I278-V280 HydrophobicContact CG1-CG1 4.42Å; I278-V280 HydrophobicContact CG2-CG1 3.99Å; V280-I335 HydrophobicContact CG2-CD1 4.43Å; V280-I335 HydrophobicContact CG2-CG1 4.3Å
281	Q	96.2	Very high	98	Very high	132 Å²	132	19.1 Å²	19.1	62%	0.617	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-37.7	179.3	-64.2	-176	-8	0	0	111.4	D279 I335	D279-Q281 VanDerWaalsContact C-N 3.25Å; D279-Q281 PolarHBondContact O-N 3.01Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.4Å; D279-Q281 PolarHBondContact OD1-N 3.45Å; Q281-I335 HydrophobicContact CG-CG1 4.37Å
282	T	96.8	Very high	97.9	Very high	55 Å²	55	21.1 Å²	21.1	34%	0.337	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.7	177.5	67	0	0	0	0	113.6	D279 T284 R338	D279-T282 VanDerWaalsContact CG-OG1 3.22Å; D279-T282 PolarHBondContact OD1-N 2.85Å; D279-T282 VanDerWaalsContact OD1-N 3.13Å; D279-T282 PolarHBondContact OD2-OG1 3.46Å; T282-T284 VanDerWaalsContact C-N 3.32Å; T282-T284 PolarHBondContact O-N 3.05Å; T282-T284 PolarHBondContact O-OG1 2.94Å; T282-T284 WeakPolarHBondContact OG1-CB 3.35Å; T282-T284 PolarHBondContact OG1-OG1 3.38Å; T282-R338 VanDerWaalsContact CG2-NH1 3.33Å
283	E	97.8	Very high	97.9	Very high	55 Å²	55	21.2 Å²	21.2	26%	0.257	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	49.8	-172.1	-54.4	173.8	-105.5	0	0	111.9	D279 V305 H595	D279-E283 VanDerWaalsContact O-CA 3.28Å; D279-E283 WeakPolarHBondContact O-CA 3.33Å; D279-E283 PolarHBondContact O-N 3.21Å; E283-V305 HydrophobicContact CB-CB 3.78Å; E283-V305 HydrophobicContact CB-CG1 4.49Å; E283-V305 HydrophobicContact CB-CG2 4Å; E283-V305 WeakPolarHBondContact O-CB 3.44Å; E283-V305 WeakPolarHBondContact O-CG2 3.42Å; E283-V305 PolarHBondContact O-N 2.69Å; E283-H595 VanDerWaalsContact CD-CE1 3.41Å; E283-H595 IonicContact OE1-CE1 3.41Å; E283-H595 IonicContact OE2-CE1 3.28Å; E283-H595 IonicContact OE2-ND1 2.67Å
284	T	98.6	Very high	97.9	Very high	19 Å²	19	26 Å²	26	12%	0.117	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.7	-177.8	-56.8	0	0	0	0	110.9	I278 D279 T282 Y286 A302 Y303	I278-T284 WeakPolarHBondContact CA-O 3.49Å; D279-T284 PolarHBondContact N-O 3.32Å; D279-T284 PolarHBondContact O-N 2.9Å; T282-T284 VanDerWaalsContact C-N 3.32Å; T282-T284 PolarHBondContact O-N 3.05Å; T282-T284 PolarHBondContact O-OG1 2.94Å; T282-T284 WeakPolarHBondContact OG1-CB 3.35Å; T282-T284 PolarHBondContact OG1-OG1 3.38Å; T284-Y286 HydrophobicContact CG2-CD2 4.19Å; T284-Y286 HydrophobicContact CG2-CE1 4.29Å; T284-Y286 HydrophobicContact CG2-CE2 3.62Å; T284-A302 HydrophobicContact CG2-CB 3.82Å; T284-Y303 CarbonylContact C-O 3.57Å; T284-Y303 VanDerWaalsContact CA-O 3.31Å; T284-Y303 WeakPolarHBondContact CA-O 3.33Å
285	V	98.7	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.7	173.6	179.1	0	0	0	0	109.2	M276 V277 I278 A302 Y303 V590 Y599	M276-V285 HydrophobicContact CB-CG1 4.18Å; M276-V285 HydrophobicContact CG-CG1 4.41Å; M276-V285 HydrophobicContact SD-CG1 3.83Å; V277-V285 CarbonylContact O-C 3.59Å; V277-V285 WeakPolarHBondContact O-CA 3.24Å; I278-V285 HydrophobicContact CB-CG2 4.32Å; I278-V285 HydrophobicContact CD1-CG2 3.89Å; I278-V285 HydrophobicContact CG1-CG2 4.02Å; V285-A302 CarbonylContact O-C 3.58Å; V285-A302 WeakPolarHBondContact O-CA 3.05Å; V285-Y303 PolarHBondContact N-O 2.73Å; V285-Y303 PolarHBondContact O-N 3.09Å; V285-V590 HydrophobicContact CG1-CG2 4.18Å; V285-V590 HydrophobicContact CG2-CG2 4.21Å; V285-Y599 HydrophobicContact CG2-CD2 4.19Å; V285-Y599 HydrophobicContact CG2-CG 4.22Å
286	Y	98.8	Very high	97.8	Very high	15 Å²	15	33.8 Å²	33.8	6%	0.059	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.1	172.4	-65.4	-90.6	0	0	0	110.1	M276 V277 D279 T284 F300 W301 A302 I313 I340 Y364 I366	M276-Y286 CarbonylContact C-O 3.55Å; M276-Y286 WeakPolarHBondContact CA-O 3.35Å; M276-Y286 WeakPolarHBondContact CB-O 3.49Å; V277-Y286 HydrophobicContact CG2-CD2 4.45Å; V277-Y286 PolarHBondContact N-O 2.81Å; V277-Y286 VanDerWaalsContact N-O 3.07Å; V277-Y286 PolarHBondContact O-N 2.84Å; D279-Y286 HydrophobicContact CB-CE2 4.19Å; T284-Y286 HydrophobicContact CG2-CD2 4.19Å; T284-Y286 HydrophobicContact CG2-CE1 4.29Å; T284-Y286 HydrophobicContact CG2-CE2 3.62Å; Y286-F300 HydrophobicContact CD1-CE1 4.2Å; Y286-F300 HydrophobicContact CD1-CE2 4.19Å; Y286-F300 AromaticContact CD1-CZ 3.56Å; Y286-F300 HydrophobicContact CD1-CZ 3.56Å; Y286-F300 HydrophobicContact CE1-CZ 4.42Å; Y286-F300 HydrophobicContact CG-CZ 4.21Å; Y286-W301 CarbonylContact C-O 3.56Å; Y286-W301 VanDerWaalsContact CA-O 3.3Å; Y286-W301 WeakPolarHBondContact CA-O 3.49Å; Y286-A302 HydrophobicContact CD1-CB 3.97Å; Y286-A302 HydrophobicContact CE1-CB 3.87Å; Y286-I313 HydrophobicContact CD1-CD1 3.84Å; Y286-I313 HydrophobicContact CE1-CD1 3.73Å; Y286-I340 HydrophobicContact CD1-CD1 3.89Å; Y286-I340 HydrophobicContact CD2-CD1 3.7Å; Y286-I340 HydrophobicContact CE1-CD1 4.41Å; Y286-I340 HydrophobicContact CE2-CD1 4.26Å; Y286-I340 HydrophobicContact CG-CD1 3.5Å; Y286-I340 VanDerWaalsContact CG-CD1 3.5Å; Y286-Y364 HydrophobicContact CE1-CE1 4.39Å; Y286-I366 HydrophobicContact CE2-CD1 3.82Å; Y286-I366 HydrophobicContact CE2-CG1 4.43Å; Y286-I366 WeakPolarHBondContact OH-CG2 3.46Å
287	L	98.8	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.2	180	178.8	154.9	0	0	0	110	P268 Q275 M276 F300 W301 W310 F601	P268-L287 HydrophobicContact CB-CD1 4.41Å; P268-L287 HydrophobicContact CB-CD2 4.2Å; P268-L287 HydrophobicContact CG-CD1 4.32Å; P268-L287 HydrophobicContact CG-CD2 4.42Å; Q275-L287 WeakPolarHBondContact O-CA 2.84Å; M276-L287 HydrophobicContact CG-CB 4.05Å; M276-L287 HydrophobicContact CG-CD1 4.07Å; M276-L287 HydrophobicContact CG-CG 4.1Å; M276-L287 HydrophobicContact SD-CD1 4.11Å; L287-F300 WeakPolarHBondContact O-CA 3.36Å; L287-F300 WeakPolarHBondContact O-CD2 3.35Å; L287-W301 HydrophobicContact CB-CB 4.42Å; L287-W301 PolarHBondContact N-O 2.61Å; L287-W301 PolarHBondContact O-N 2.78Å; L287-W310 HydrophobicContact CB-CH2 4.27Å; L287-W310 HydrophobicContact CB-CZ3 4.06Å; L287-W310 HydrophobicContact CD1-CH2 4.21Å; L287-F601 HydrophobicContact CD1-CD1 3.35Å; L287-F601 HydrophobicContact CD1-CE1 3.62Å; L287-F601 HydrophobicContact CD1-CG 3.95Å; L287-F601 HydrophobicContact CD1-CZ 4.41Å
288	F	98.8	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.3	178.4	-176.8	-122.3	0	0	0	113.4	Q275 D299 F300 T317 P323 R326 H329 M331 T342	Q275-F288 PolarHBondContact N-O 3.49Å; Q275-F288 VanDerWaalsContact N-O 3.14Å; Q275-F288 PolarHBondContact O-N 2.59Å; F288-D299 WeakPolarHBondContact CD2-O 3.21Å; F288-F300 HydrophobicContact CB-CD2 3.78Å; F288-F300 HydrophobicContact CB-CE2 4.23Å; F288-F300 HydrophobicContact CD2-CB 4.03Å; F288-F300 HydrophobicContact CD2-CD2 4.06Å; F288-F300 HydrophobicContact CD2-CG 4.4Å; F288-F300 HydrophobicContact CG-CD2 4.27Å; F288-T317 HydrophobicContact CD2-CG2 4.31Å; F288-T317 HydrophobicContact CE2-CG2 3.81Å; F288-T317 WeakPolarHBondContact CE2-OG1 3.37Å; F288-T317 WeakPolarHBondContact CZ-OG1 3.46Å; F288-P323 HydrophobicContact CD1-CG 4.37Å; F288-P323 HydrophobicContact CE1-CB 3.86Å; F288-P323 HydrophobicContact CE1-CG 3.48Å; F288-P323 VanDerWaalsContact CE1-CG 3.48Å; F288-P323 HydrophobicContact CE2-CG 4.15Å; F288-P323 HydrophobicContact CZ-CB 3.81Å; F288-P323 HydrophobicContact CZ-CG 3.37Å; F288-R326 HydrophobicContact CE1-CG 3.78Å; F288-R326 HydrophobicContact CZ-CG 4.32Å; F288-H329 AromaticContact CD1-CE1 3.95Å; F288-H329 AromaticContact CD1-NE2 3.48Å; F288-H329 WeakPolarHBondContact CD1-NE2 3.32Å; F288-H329 PolarHBondContact O-CE1 3.02Å; F288-M331 HydrophobicContact CB-CE 4.04Å; F288-M331 HydrophobicContact CB-SD 3.52Å; F288-M331 VanDerWaalsContact CB-SD 3.52Å; F288-M331 HydrophobicContact CG-SD 4.49Å; F288-T342 HydrophobicContact CD1-CG2 4.15Å; F288-T342 HydrophobicContact CE1-CG2 4.15Å
289	G	98.5	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.			trans	59.6	-143.8	165.2	0	0	0	0	0	114.5	R271 H274 L297 D299	R271-G289 PolarHBondContact NH1-O 2.91Å; H274-G289 WeakPolarHBondContact CB-O 3.42Å; G289-L297 VanDerWaalsContact CA-O 3.23Å; G289-L297 WeakPolarHBondContact CA-O 3Å; G289-D299 PolarHBondContact N-O 2.87Å
290	G	98.3	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.			trans	100.2	-171.8	-172.3	0	0	0	0	0	112.6	G272 D296 L297 R326	G272-G290 CarbonylContact O-C 3.5Å; G272-G290 WeakPolarHBondContact O-CA 3.43Å; G290-D296 CarbonylContact O-C 3.56Å; G290-D296 WeakPolarHBondContact O-CA 3.4Å; G290-L297 PolarHBondContact O-N 3.13Å; G290-R326 PolarHBondContact N-O 3.32Å
291	W	98.1	Very high	97.9	Very high	63 Å²	63	34.3 Å²	34.3	24%	0.239	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-127.5	128.9	-177.5	-174.7	81.7	0	0	0	110.5	R271 G272 G293 Q295 K612 R614	R271-W291 CarbonylContact C-O 3.46Å; R271-W291 VanDerWaalsContact CA-O 3.31Å; R271-W291 WeakPolarHBondContact CA-O 3.09Å; G272-W291 PolarHBondContact N-O 3.03Å; G272-W291 PolarHBondContact O-N 2.87Å; W291-G293 VanDerWaalsContact CE3-CA 3.46Å; W291-G293 VanDerWaalsContact CH2-CA 3.43Å; W291-G293 WeakPolarHBondContact CH2-O 3.46Å; W291-G293 WeakPolarHBondContact CZ2-O 3.36Å; W291-Q295 WeakPolarHBondContact CA-O 3.41Å; W291-K612 HydrophobicContact CH2-CB 4.43Å; W291-K612 HydrophobicContact CH2-CG 4.12Å; W291-R614 WeakPolarHBondContact O-CG 3.28Å
292	D	97.7	Very high	98	Very high	44 Å²	44	28.6 Å²	28.6	24%	0.235	15%	0.152	C	C	.	.			trans	-87.3	-8.5	-170.5	66.3	8.2	0	0	0	115.4	M270 T294 Q295 L297 R614	M270-D292 VanDerWaalsContact O-CA 3.32Å; M270-D292 WeakPolarHBondContact O-CA 3.12Å; M270-D292 VanDerWaalsContact O-CB 3.31Å; M270-D292 WeakPolarHBondContact O-CB 3.29Å; D292-T294 WeakPolarHBondContact OD1-CA 3.38Å; D292-T294 PolarHBondContact OD1-N 2.79Å; D292-T294 PolarHBondContact OD1-OG1 3.46Å; D292-T294 PolarHBondContact OD2-OG1 3.04Å; D292-Q295 PolarHBondContact N-O 2.98Å; D292-Q295 VanDerWaalsContact N-O 3.1Å; D292-Q295 PolarHBondContact OD1-N 2.82Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.28Å; D292-L297 HydrophobicContact CB-CD1 4.27Å; D292-L297 HydrophobicContact CB-CD2 4.26Å; D292-L297 HydrophobicContact CB-CG 4.47Å; D292-R614 WeakPolarHBondContact O-CG 3.42Å
293	G	96	Very high	98.1	Very high	4 Å²	4	26.3 Å²	26.3	4%	0.041	14%	0.138	C	C	.	.	S	Bend	trans	122	-21.2	-167	0	0	0	0	0	113.1	W291 K612	W291-G293 VanDerWaalsContact CE3-CA 3.46Å; W291-G293 VanDerWaalsContact CH2-CA 3.43Å; W291-G293 WeakPolarHBondContact CH2-O 3.46Å; W291-G293 WeakPolarHBondContact CZ2-O 3.36Å; G293-K612 VanDerWaalsContact CA-O 3.22Å; G293-K612 WeakPolarHBondContact CA-O 3.43Å; G293-K612 VanDerWaalsContact O-CD 3.32Å; G293-K612 WeakPolarHBondContact O-CD 3.14Å
294	T	96	Very high	98.1	Very high	105 Å²	105	25.2 Å²	25.2	64%	0.644	14%	0.136	S	C	*	.	S	Bend	trans	-135.1	-44.3	-172.3	60.4	0	0	0	0	112.5	D292	D292-T294 WeakPolarHBondContact OD1-CA 3.38Å; D292-T294 PolarHBondContact OD1-N 2.79Å; D292-T294 PolarHBondContact OD1-OG1 3.46Å; D292-T294 PolarHBondContact OD2-OG1 3.04Å
295	Q	96.5	Very high	98	Very high	120 Å²	120	25.8 Å²	25.8	56%	0.561	14%	0.139	S	C	*	.	S	Bend	trans	-142.4	158.9	-174.6	63.4	-176.4	7	0	0	111.8	W291 D292 L297	W291-Q295 WeakPolarHBondContact CA-O 3.41Å; D292-Q295 PolarHBondContact N-O 2.98Å; D292-Q295 VanDerWaalsContact N-O 3.1Å; D292-Q295 PolarHBondContact OD1-N 2.82Å; D292-Q295 WeakPolarHBondContact OD2-CG 3.28Å; Q295-L297 HydrophobicContact CG-CD2 4.48Å
296	D	98.1	Very high	97.9	Very high	50 Å²	50	33.5 Å²	33.5	27%	0.267	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-74.5	149.6	168.4	-71.7	-47.8	0	0	0	110.3	G290 A325 S327	G290-D296 CarbonylContact O-C 3.56Å; G290-D296 WeakPolarHBondContact O-CA 3.4Å; D296-A325 HydrophobicContact CB-CB 4.04Å; D296-S327 WeakPolarHBondContact OD1-CB 3.46Å; D296-S327 PolarHBondContact OD1-N 3.34Å; D296-S327 PolarHBondContact OD1-OG 2.78Å
297	L	98.4	Very high	97.7	Very high	24 Å²	24	37 Å²	37	13%	0.126	19%	0.19	C	C	.	.			trans	-110.2	148.6	-176.3	-54.5	174.9	0	0	0	110.9	R271 G289 G290 D292 Q295 D299 A325 R326	R271-L297 HydrophobicContact CB-CD1 4.07Å; G289-L297 VanDerWaalsContact CA-O 3.23Å; G289-L297 WeakPolarHBondContact CA-O 3Å; G290-L297 PolarHBondContact O-N 3.13Å; D292-L297 HydrophobicContact CB-CD1 4.27Å; D292-L297 HydrophobicContact CB-CD2 4.26Å; D292-L297 HydrophobicContact CB-CG 4.47Å; Q295-L297 HydrophobicContact CG-CD2 4.48Å; L297-D299 WeakPolarHBondContact CB-OD1 3.33Å; L297-A325 VanDerWaalsContact O-CA 3.31Å; L297-A325 WeakPolarHBondContact O-CA 3.46Å; L297-R326 PolarHBondContact O-N 3.45Å; L297-R326 VanDerWaalsContact O-N 3.17Å
298	A	98.3	Very high	97.6	Very high	12 Å²	12	39 Å²	39	10%	0.099	20%	0.2	C	C	.	.			trans	-119.9	13	175.7	0	0	0	0	0	112.5	T317 A325	A298-T317 PolarHBondContact O-N 2.89Å; A298-T317 PolarHBondContact O-OG1 3.17Å; A298-A325 HydrophobicContact CB-CB 3.95Å
299	D	98.2	Very high	97.4	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.107	21%	0.21	C	C	.	.			trans	-81.2	142.1	-180	63	-22.2	0	0	0	111.3	R271 F288 G289 L297 W301 S314	R271-D299 IonicContact CZ-OD1 3.61Å; R271-D299 IonicContact CZ-OD2 2.8Å; R271-D299 IonicContact NH1-OD1 2.71Å; R271-D299 PolarHBondContact NH1-OD1 2.95Å; R271-D299 IonicContact NH1-OD2 3.01Å; R271-D299 PolarHBondContact NH1-OD2 3.35Å; R271-D299 IonicContact NH2-OD1 3.81Å; R271-D299 IonicContact NH2-OD2 2.87Å; R271-D299 PolarHBondContact NH2-OD2 3.4Å; F288-D299 WeakPolarHBondContact CD2-O 3.21Å; G289-D299 PolarHBondContact N-O 2.87Å; L297-D299 WeakPolarHBondContact CB-OD1 3.33Å; D299-W301 VanDerWaalsContact CG-NE1 3.3Å; D299-W301 PolarHBondContact OD2-NE1 2.63Å; D299-S314 WeakPolarHBondContact CA-O 3.39Å
300	F	98.6	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.1	-176.3	-173	-131.5	0	0	0	110.6	Y286 L287 F288 I313 S314 T317 M331 I340 Y364 W371	Y286-F300 HydrophobicContact CD1-CE1 4.2Å; Y286-F300 HydrophobicContact CD1-CE2 4.19Å; Y286-F300 AromaticContact CD1-CZ 3.56Å; Y286-F300 HydrophobicContact CD1-CZ 3.56Å; Y286-F300 HydrophobicContact CE1-CZ 4.42Å; Y286-F300 HydrophobicContact CG-CZ 4.21Å; L287-F300 WeakPolarHBondContact O-CA 3.36Å; L287-F300 WeakPolarHBondContact O-CD2 3.35Å; F288-F300 HydrophobicContact CB-CD2 3.78Å; F288-F300 HydrophobicContact CB-CE2 4.23Å; F288-F300 HydrophobicContact CD2-CB 4.03Å; F288-F300 HydrophobicContact CD2-CD2 4.06Å; F288-F300 HydrophobicContact CD2-CG 4.4Å; F288-F300 HydrophobicContact CG-CD2 4.27Å; F300-I313 HydrophobicContact CD1-CB 3.77Å; F300-I313 HydrophobicContact CD1-CD1 3.79Å; F300-I313 HydrophobicContact CD1-CG1 4.37Å; F300-I313 HydrophobicContact CD1-CG2 3.75Å; F300-I313 HydrophobicContact CE1-CB 4.37Å; F300-I313 HydrophobicContact CE1-CD1 3.56Å; F300-I313 HydrophobicContact CE1-CG2 4.2Å; F300-I313 HydrophobicContact CG-CB 4.47Å; F300-I313 HydrophobicContact CZ-CD1 4.21Å; F300-I313 WeakPolarHBondContact O-CB 3.43Å; F300-I313 PolarHBondContact O-N 2.68Å; F300-S314 PolarHBondContact N-O 3.29Å; F300-S314 PolarHBondContact O-N 2.94Å; F300-S314 VanDerWaalsContact O-N 3.15Å; F300-T317 HydrophobicContact CB-CG2 3.63Å; F300-T317 HydrophobicContact CG-CG2 4.41Å; F300-M331 HydrophobicContact CE2-CE 4.15Å; F300-I340 HydrophobicContact CZ-CD1 4.09Å; F300-Y364 HydrophobicContact CD1-CE2 4.46Å; F300-Y364 AromaticContact CE1-CD1 3.8Å; F300-Y364 HydrophobicContact CE1-CD1 3.8Å; F300-Y364 HydrophobicContact CE1-CD2 4.08Å; F300-Y364 AromaticContact CE1-CE1 3.59Å; F300-Y364 HydrophobicContact CE1-CE1 3.59Å; F300-Y364 AromaticContact CE1-CE2 3.9Å; F300-Y364 HydrophobicContact CE1-CE2 3.9Å; F300-Y364 HydrophobicContact CE1-CG 4.02Å; F300-Y364 AromaticContact CE1-CZ 3.64Å; F300-Y364 AromaticContact CZ-CD1 3.98Å; F300-Y364 HydrophobicContact CZ-CD1 3.98Å; F300-Y364 HydrophobicContact CZ-CE1 4.04Å; F300-Y364 HydrophobicContact CZ-CG 4.39Å; F300-W371 AromaticContact CD1-CZ2 3.88Å; F300-W371 HydrophobicContact CD1-CZ2 3.88Å; F300-W371 HydrophobicContact CD2-CZ2 4.27Å; F300-W371 AromaticContact CE1-CZ2 3.95Å; F300-W371 HydrophobicContact CE1-CZ2 3.95Å; F300-W371 HydrophobicContact CE2-CZ2 4.35Å; F300-W371 HydrophobicContact CG-CZ2 4.06Å; F300-W371 HydrophobicContact CZ-CZ2 4.19Å
301	W	98.5	Very high	97.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.9	-169.6	-63	83.5	0	0	0	111.6	D265 P268 Y286 L287 D299 W310 T311 C312	D265-W301 HydrophobicContact CB-CH2 4.3Å; D265-W301 WeakPolarHBondContact O-CH2 3.27Å; P268-W301 HydrophobicContact CB-CD2 4.26Å; P268-W301 HydrophobicContact CB-CG 4.21Å; P268-W301 HydrophobicContact CG-CB 3.97Å; P268-W301 HydrophobicContact CG-CD2 3.76Å; P268-W301 HydrophobicContact CG-CE3 4.16Å; P268-W301 HydrophobicContact CG-CG 3.66Å; Y286-W301 CarbonylContact C-O 3.56Å; Y286-W301 VanDerWaalsContact CA-O 3.3Å; Y286-W301 WeakPolarHBondContact CA-O 3.49Å; L287-W301 HydrophobicContact CB-CB 4.42Å; L287-W301 PolarHBondContact N-O 2.61Å; L287-W301 PolarHBondContact O-N 2.78Å; D299-W301 VanDerWaalsContact CG-NE1 3.3Å; D299-W301 PolarHBondContact OD2-NE1 2.63Å; W301-W310 HydrophobicContact CB-CE3 3.81Å; W301-W310 HydrophobicContact CB-CZ3 3.98Å; W301-W310 HydrophobicContact CE3-CB 4.2Å; W301-W310 HydrophobicContact CZ3-CB 4.5Å; W301-T311 WeakPolarHBondContact CA-O 3.39Å; W301-C312 HydrophobicContact CD2-CB 4.09Å; W301-C312 VanDerWaalsContact CE3-CA 3.46Å; W301-C312 HydrophobicContact CE3-CB 3.72Å; W301-C312 HydrophobicContact CH2-CB 3.67Å; W301-C312 HydrophobicContact CZ2-CB 4.04Å; W301-C312 HydrophobicContact CZ3-CB 3.5Å
302	A	98.2	Very high	97.1	Very high	12 Å²	12	44.1 Å²	44.1	10%	0.099	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.4	167.3	0	0	0	0	0	110.5	T284 V285 Y286 W310 T311 I313	T284-A302 HydrophobicContact CG2-CB 3.82Å; V285-A302 CarbonylContact O-C 3.58Å; V285-A302 WeakPolarHBondContact O-CA 3.05Å; Y286-A302 HydrophobicContact CD1-CB 3.97Å; Y286-A302 HydrophobicContact CE1-CB 3.87Å; A302-W310 CarbonylContact O-C 3.46Å; A302-W310 WeakPolarHBondContact O-CA 3.41Å; A302-T311 PolarHBondContact N-O 2.79Å; A302-T311 PolarHBondContact O-N 2.66Å; A302-I313 HydrophobicContact CB-CD1 3.67Å; A302-I313 HydrophobicContact CB-CG1 4.2Å
303	Y	98.4	Very high	97.1	Very high	8 Å²	8	43.8 Å²	43.8	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.9	169.7	173.8	-100	0	0	0	109.6	I254 P256 T284 V285 V305 N308 Q309 W310 F618	I254-Y303 HydrophobicContact CG2-CE2 4.21Å; I254-Y303 VanDerWaalsContact CG2-OH 3.27Å; I254-Y303 WeakPolarHBondContact CG2-OH 3.48Å; P256-Y303 HydrophobicContact CB-CE2 4.39Å; P256-Y303 HydrophobicContact CG-CE2 4.27Å; T284-Y303 CarbonylContact C-O 3.57Å; T284-Y303 VanDerWaalsContact CA-O 3.31Å; T284-Y303 WeakPolarHBondContact CA-O 3.33Å; V285-Y303 PolarHBondContact N-O 2.73Å; V285-Y303 PolarHBondContact O-N 3.09Å; Y303-V305 HydrophobicContact CD1-CG2 4.15Å; Y303-V305 HydrophobicContact CE1-CB 4.28Å; Y303-V305 HydrophobicContact CE1-CG2 3.8Å; Y303-N308 PolarHBondContact OH-OD1 3.22Å; Y303-Q309 WeakPolarHBondContact CA-O 3.3Å; Y303-W310 VanDerWaalsContact CB-CE3 3.49Å; Y303-W310 VanDerWaalsContact CB-CZ3 3.49Å; Y303-W310 AromaticContact CD2-CD1 3.92Å; Y303-W310 HydrophobicContact CD2-CD2 4.01Å; Y303-W310 AromaticContact CD2-CE2 3.81Å; Y303-W310 HydrophobicContact CD2-CG 4.06Å; Y303-W310 HydrophobicContact CD2-CZ2 4.34Å; Y303-W310 AromaticContact CD2-NE1 3.74Å; Y303-W310 HydrophobicContact CG-CD2 4.26Å; Y303-W310 HydrophobicContact CG-CH2 4.5Å; Y303-W310 HydrophobicContact CG-CZ2 4.19Å; Y303-F618 AromaticContact CD1-CE1 3.59Å; Y303-F618 HydrophobicContact CD1-CE1 3.59Å; Y303-F618 AromaticContact CD1-CZ 3.97Å; Y303-F618 HydrophobicContact CD1-CZ 3.97Å; Y303-F618 AromaticContact CD2-CE1 3.93Å; Y303-F618 HydrophobicContact CD2-CE1 3.93Å; Y303-F618 AromaticContact CE1-CE1 3.62Å; Y303-F618 HydrophobicContact CE1-CE1 3.62Å; Y303-F618 HydrophobicContact CE1-CZ 4.24Å; Y303-F618 HydrophobicContact CE2-CD1 4.43Å; Y303-F618 AromaticContact CE2-CE1 3.97Å; Y303-F618 HydrophobicContact CE2-CE1 3.97Å; Y303-F618 AromaticContact CG-CE1 3.74Å; Y303-F618 HydrophobicContact CG-CE1 3.74Å; Y303-F618 HydrophobicContact CG-CZ 4.32Å; Y303-F618 AromaticContact CZ-CE1 3.83Å
304	S	97.8	Very high	97.2	Very high	31 Å²	31	43.7 Å²	43.7	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120	169.9	175.6	0	0	0	0	109.7	E307 N308 Q309	S304-E307 PolarHBondContact OG-N 3.04Å; S304-N308 WeakPolarHBondContact O-CA 3.49Å; S304-N308 PolarHBondContact O-N 2.86Å; S304-Q309 PolarHBondContact N-O 3.4Å; S304-Q309 PolarHBondContact O-N 3.21Å
305	V	97.3	Very high	97.2	Very high	32 Å²	32	43.9 Å²	43.9	19%	0.194	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-45.4	175.6	175	0	0	0	0	110.7	E283 Y303 E307 N308 Y599	E283-V305 HydrophobicContact CB-CB 3.78Å; E283-V305 HydrophobicContact CB-CG1 4.49Å; E283-V305 HydrophobicContact CB-CG2 4Å; E283-V305 WeakPolarHBondContact O-CB 3.44Å; E283-V305 WeakPolarHBondContact O-CG2 3.42Å; E283-V305 PolarHBondContact O-N 2.69Å; Y303-V305 HydrophobicContact CD1-CG2 4.15Å; Y303-V305 HydrophobicContact CE1-CB 4.28Å; Y303-V305 HydrophobicContact CE1-CG2 3.8Å; V305-E307 PolarHBondContact O-N 3.37Å; V305-N308 PolarHBondContact O-N 3.45Å; V305-Y599 WeakPolarHBondContact CG1-OH 3.34Å; V305-Y599 HydrophobicContact CG2-CE1 4.1Å; V305-Y599 HydrophobicContact CG2-CE2 4.33Å; V305-Y599 VanDerWaalsContact CG2-OH 3.31Å; V305-Y599 WeakPolarHBondContact CG2-OH 3.22Å
306	K	96	Very high	97.2	Very high	162 Å²	162	40 Å²	40	70%	0.704	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-47.2	179.8	-177.3	-177.1	175.3	-174.3	0	112.6	N308	K306-N308 VanDerWaalsContact C-N 3.35Å
307	E	95.8	Very high	97.3	Very high	88 Å²	88	37.7 Å²	37.7	41%	0.411	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-17	-178	-59.1	-53.8	144.3	0	0	112.8	K257 S304 V305 Q309	K257-E307 PolarHBondContact NZ-O 2.84Å; S304-E307 PolarHBondContact OG-N 3.04Å; V305-E307 PolarHBondContact O-N 3.37Å; E307-Q309 HydrophobicContact CB-CB 4.31Å; E307-Q309 HydrophobicContact CB-CG 4.5Å
308	N	96.1	Very high	97.2	Very high	41 Å²	41	42 Å²	42	22%	0.219	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	51.8	-169.8	-178.3	30.4	0	0	0	111.4	I255 P256 K257 Y303 S304 V305 K306	I255-N308 PolarHBondContact O-ND2 2.93Å; P256-N308 WeakPolarHBondContact CA-O 3.43Å; P256-N308 WeakPolarHBondContact CA-OD1 3.12Å; K257-N308 PolarHBondContact N-O 3.01Å; Y303-N308 PolarHBondContact OH-OD1 3.22Å; S304-N308 WeakPolarHBondContact O-CA 3.49Å; S304-N308 PolarHBondContact O-N 2.86Å; V305-N308 PolarHBondContact O-N 3.45Å; K306-N308 VanDerWaalsContact C-N 3.35Å
309	Q	95.6	Very high	97.2	Very high	46 Å²	46	49.4 Å²	49.4	22%	0.215	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.1	-173.4	-75.3	-178.6	11.1	0	0	112	K257 Y303 S304 E307	K257-Q309 HydrophobicContact CB-CG 3.81Å; K257-Q309 HydrophobicContact CD-CG 4.41Å; Y303-Q309 WeakPolarHBondContact CA-O 3.3Å; S304-Q309 PolarHBondContact N-O 3.4Å; S304-Q309 PolarHBondContact O-N 3.21Å; E307-Q309 HydrophobicContact CB-CB 4.31Å; E307-Q309 HydrophobicContact CB-CG 4.5Å
310	W	96.7	Very high	97.1	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.045	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.5	166.1	-72.9	100.4	0	0	0	110.4	N266 R267 P268 L287 W301 A302 Y303 F601 F618	N266-W310 WeakPolarHBondContact O-CB 3.48Å; R267-W310 HydrophobicContact CB-CB 4.43Å; R267-W310 HydrophobicContact CB-CG 4.2Å; P268-W310 HydrophobicContact CG-CD2 3.78Å; P268-W310 HydrophobicContact CG-CE3 3.67Å; P268-W310 HydrophobicContact CG-CG 4.43Å; P268-W310 HydrophobicContact CG-CH2 4.17Å; P268-W310 HydrophobicContact CG-CZ2 4.26Å; P268-W310 HydrophobicContact CG-CZ3 3.88Å; L287-W310 HydrophobicContact CB-CH2 4.27Å; L287-W310 HydrophobicContact CB-CZ3 4.06Å; L287-W310 HydrophobicContact CD1-CH2 4.21Å; W301-W310 HydrophobicContact CB-CE3 3.81Å; W301-W310 HydrophobicContact CB-CZ3 3.98Å; W301-W310 HydrophobicContact CE3-CB 4.2Å; W301-W310 HydrophobicContact CZ3-CB 4.5Å; A302-W310 CarbonylContact O-C 3.46Å; A302-W310 WeakPolarHBondContact O-CA 3.41Å; Y303-W310 VanDerWaalsContact CB-CE3 3.49Å; Y303-W310 VanDerWaalsContact CB-CZ3 3.49Å; Y303-W310 AromaticContact CD2-CD1 3.92Å; Y303-W310 HydrophobicContact CD2-CD2 4.01Å; Y303-W310 AromaticContact CD2-CE2 3.81Å; Y303-W310 HydrophobicContact CD2-CG 4.06Å; Y303-W310 HydrophobicContact CD2-CZ2 4.34Å; Y303-W310 AromaticContact CD2-NE1 3.74Å; Y303-W310 HydrophobicContact CG-CD2 4.26Å; Y303-W310 HydrophobicContact CG-CH2 4.5Å; Y303-W310 HydrophobicContact CG-CZ2 4.19Å; W310-F601 HydrophobicContact CZ2-CD2 4.39Å; W310-F618 AromaticContact CZ2-CD1 3.92Å; W310-F618 HydrophobicContact CZ2-CD1 3.92Å; W310-F618 HydrophobicContact CZ2-CD2 4.43Å; W310-F618 AromaticContact CZ2-CE1 3.78Å; W310-F618 HydrophobicContact CZ2-CE1 3.78Å; W310-F618 HydrophobicContact CZ2-CE2 4.32Å; W310-F618 HydrophobicContact CZ2-CG 4.26Å; W310-F618 HydrophobicContact CZ2-CZ 4.02Å
311	T	95.6	Very high	97	Very high	85 Å²	85	58.4 Å²	58.4	52%	0.521	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.3	170.1	-60.8	0	0	0	0	108.2	W301 A302 I313	W301-T311 WeakPolarHBondContact CA-O 3.39Å; A302-T311 PolarHBondContact N-O 2.79Å; A302-T311 PolarHBondContact O-N 2.66Å; T311-I313 PolarHBondContact O-N 3.04Å
312	C	96	Very high	97	Very high	28 Å²	28	58.4 Å²	58.4	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.4	169	-171	0	0	0	0	107.9	W301 S314 R315	W301-C312 HydrophobicContact CD2-CB 4.09Å; W301-C312 VanDerWaalsContact CE3-CA 3.46Å; W301-C312 HydrophobicContact CE3-CB 3.72Å; W301-C312 HydrophobicContact CH2-CB 3.67Å; W301-C312 HydrophobicContact CZ2-CB 4.04Å; W301-C312 HydrophobicContact CZ3-CB 3.5Å; C312-S314 PolarHBondContact SG-O 3.02Å; C312-R315 WeakPolarHBondContact SG-CD 3.07Å; C312-R315 PolarHBondContact SG-NE 3.14Å
313	I	96.9	Very high	97	Very high	37 Å²	37	57.9 Å²	57.9	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-48.6	176.7	-64.1	171.7	0	0	0	109.2	Y286 F300 A302 T311 Y364 N369	Y286-I313 HydrophobicContact CD1-CD1 3.84Å; Y286-I313 HydrophobicContact CE1-CD1 3.73Å; F300-I313 HydrophobicContact CD1-CB 3.77Å; F300-I313 HydrophobicContact CD1-CD1 3.79Å; F300-I313 HydrophobicContact CD1-CG1 4.37Å; F300-I313 HydrophobicContact CD1-CG2 3.75Å; F300-I313 HydrophobicContact CE1-CB 4.37Å; F300-I313 HydrophobicContact CE1-CD1 3.56Å; F300-I313 HydrophobicContact CE1-CG2 4.2Å; F300-I313 HydrophobicContact CG-CB 4.47Å; F300-I313 HydrophobicContact CZ-CD1 4.21Å; F300-I313 WeakPolarHBondContact O-CB 3.43Å; F300-I313 PolarHBondContact O-N 2.68Å; A302-I313 HydrophobicContact CB-CD1 3.67Å; A302-I313 HydrophobicContact CB-CG1 4.2Å; T311-I313 PolarHBondContact O-N 3.04Å; I313-Y364 HydrophobicContact CG2-CE2 4.47Å; I313-N369 VanDerWaalsContact CG2-OD1 3.24Å; I313-N369 WeakPolarHBondContact CG2-OD1 3.25Å
314	S	97.4	Very high	97	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.2	175.6	-176.8	0	0	0	0	110.2	D299 F300 C312 D316 T317 E320	D299-S314 WeakPolarHBondContact CA-O 3.39Å; F300-S314 PolarHBondContact N-O 3.29Å; F300-S314 PolarHBondContact O-N 2.94Å; F300-S314 VanDerWaalsContact O-N 3.15Å; C312-S314 PolarHBondContact SG-O 3.02Å; S314-D316 VanDerWaalsContact OG-C 3.27Å; S314-D316 PolarHBondContact OG-N 2.85Å; S314-D316 PolarHBondContact OG-O 3Å; S314-T317 PolarHBondContact OG-N 3.19Å; S314-E320 VanDerWaalsContact CB-OE1 3.32Å; S314-E320 WeakPolarHBondContact CB-OE1 3.49Å; S314-E320 WeakPolarHBondContact CB-OE2 3.36Å; S314-E320 PolarHBondContact OG-OE1 2.88Å; S314-E320 PolarHBondContact OG-OE2 3.38Å
315	R	96.3	Very high	97	Very high	109 Å²	109	58.9 Å²	58.9	41%	0.411	29%	0.293	S	S	.	.	S	Bend	trans	-82.9	-20.4	172.6	-69.8	-73.3	-176.9	165.5	-3	112.1	D265 C312	D265-R315 PolarHBondContact O-NH2 3.05Å; D265-R315 VanDerWaalsContact O-NH2 3.12Å; D265-R315 IonicContact OD2-NH1 3.27Å; D265-R315 PolarHBondContact OD2-NH1 2.92Å; D265-R315 VanDerWaalsContact OD2-NH1 3.07Å; C312-R315 WeakPolarHBondContact SG-CD 3.07Å; C312-R315 PolarHBondContact SG-NE 3.14Å
316	D	97.9	Very high	97	Very high	39 Å²	39	57.3 Å²	57.3	21%	0.209	28%	0.284	C	S	.	.			trans	-159.1	90.8	-175.1	-176.1	-5.9	0	0	0	108.6	S314 E318 K319	S314-D316 VanDerWaalsContact OG-C 3.27Å; S314-D316 PolarHBondContact OG-N 2.85Å; S314-D316 PolarHBondContact OG-O 3Å; D316-E318 PolarHBondContact O-N 2.98Å; D316-E318 VanDerWaalsContact O-N 3.15Å; D316-E318 WeakPolarHBondContact OD1-CB 3.31Å; D316-E318 PolarHBondContact OD1-N 3.35Å; D316-K319 HydrophobicContact CB-CD 4.13Å; D316-K319 HydrophobicContact CB-CG 4.37Å; D316-K319 PolarHBondContact O-N 3.1Å; D316-K319 VanDerWaalsContact O-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CD 3.32Å; D316-K319 WeakPolarHBondContact OD2-CE 3.23Å; D316-K319 IonicContact OD2-NZ 3.93Å; D316-K319 PolarHBondContact OD2-NZ 2.9Å
317	T	98.5	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.9	-25	-176.9	47.3	0	0	0	0	113.1	F288 A298 F300 S314 K319 E320 G322 P323 W371	F288-T317 HydrophobicContact CD2-CG2 4.31Å; F288-T317 HydrophobicContact CE2-CG2 3.81Å; F288-T317 WeakPolarHBondContact CE2-OG1 3.37Å; F288-T317 WeakPolarHBondContact CZ-OG1 3.46Å; A298-T317 PolarHBondContact O-N 2.89Å; A298-T317 PolarHBondContact O-OG1 3.17Å; F300-T317 HydrophobicContact CB-CG2 3.63Å; F300-T317 HydrophobicContact CG-CG2 4.41Å; S314-T317 PolarHBondContact OG-N 3.19Å; T317-K319 VanDerWaalsContact C-N 3.26Å; T317-K319 PolarHBondContact O-N 3.01Å; T317-E320 CarbonylContact O-C 3.58Å; T317-E320 PolarHBondContact O-N 3.27Å; T317-G322 CarbonylContact O-C 3.47Å; T317-G322 WeakPolarHBondContact O-CA 3.16Å; T317-G322 PolarHBondContact O-N 2.96Å; T317-P323 PolarHBondContact OG1-O 3.33Å; T317-W371 HydrophobicContact CG2-CZ2 4.1Å
318	E	97.4	Very high	97.2	Very high	115 Å²	115	47.2 Å²	47.2	54%	0.537	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-63.4	-34.3	179	-165.5	171.5	169.2	0	0	112	D316 E320 N321 P323 S324	D316-E318 PolarHBondContact O-N 2.98Å; D316-E318 VanDerWaalsContact O-N 3.15Å; D316-E318 WeakPolarHBondContact OD1-CB 3.31Å; D316-E318 PolarHBondContact OD1-N 3.35Å; E318-E320 PolarHBondContact O-N 3.33Å; E318-N321 PolarHBondContact O-N 3.16Å; E318-P323 PolarHBondContact N-O 3.19Å; E318-S324 VanDerWaalsContact OE2-CB 3.3Å; E318-S324 WeakPolarHBondContact OE2-CB 3.39Å
319	K	97.6	Very high	97.3	Very high	167 Å²	167	45.4 Å²	45.4	73%	0.726	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-70	-12.7	175.5	-68.9	178.5	-180	126.4	0	113.4	D316 T317	D316-K319 HydrophobicContact CB-CD 4.13Å; D316-K319 HydrophobicContact CB-CG 4.37Å; D316-K319 PolarHBondContact O-N 3.1Å; D316-K319 VanDerWaalsContact O-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CD 3.32Å; D316-K319 WeakPolarHBondContact OD2-CE 3.23Å; D316-K319 IonicContact OD2-NZ 3.93Å; D316-K319 PolarHBondContact OD2-NZ 2.9Å; T317-K319 VanDerWaalsContact C-N 3.26Å; T317-K319 PolarHBondContact O-N 3.01Å
320	E	96.4	Very high	97.4	Very high	81 Å²	81	44.2 Å²	44.2	38%	0.379	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-114.5	26.2	-177.5	-64.8	171.1	-149	0	0	111.5	S314 T317 E318 G322	S314-E320 VanDerWaalsContact CB-OE1 3.32Å; S314-E320 WeakPolarHBondContact CB-OE1 3.49Å; S314-E320 WeakPolarHBondContact CB-OE2 3.36Å; S314-E320 PolarHBondContact OG-OE1 2.88Å; S314-E320 PolarHBondContact OG-OE2 3.38Å; T317-E320 CarbonylContact O-C 3.58Å; T317-E320 PolarHBondContact O-N 3.27Å; E318-E320 PolarHBondContact O-N 3.33Å; E320-G322 PolarHBondContact O-N 3.49Å
321	N	96.4	Very high	97.5	Very high	129 Å²	129	43.9 Å²	43.9	69%	0.69	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	18.6	-176	-51.6	-62	0	0	0	114.3	E318 Y362	E318-N321 PolarHBondContact O-N 3.16Å; N321-Y362 WeakPolarHBondContact O-CE1 3.37Å
322	G	98.3	Very high	97.7	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-91.3	-173.9	174	0	0	0	0	0	113.4	T317 E320 Y362 W371	T317-G322 CarbonylContact O-C 3.47Å; T317-G322 WeakPolarHBondContact O-CA 3.16Å; T317-G322 PolarHBondContact O-N 2.96Å; E320-G322 PolarHBondContact O-N 3.49Å; G322-Y362 WeakPolarHBondContact O-CE1 3.42Å; G322-Y362 PolarHBondContact O-OH 2.99Å; G322-W371 VanDerWaalsContact CA-CB 3.41Å; G322-W371 VanDerWaalsContact CA-CG 3.48Å
323	P	98.3	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-62	142.4	178.6	21.3	-31.1	0	0	0	112.5	F288 T317 E318 Y362 W371	F288-P323 HydrophobicContact CD1-CG 4.37Å; F288-P323 HydrophobicContact CE1-CB 3.86Å; F288-P323 HydrophobicContact CE1-CG 3.48Å; F288-P323 VanDerWaalsContact CE1-CG 3.48Å; F288-P323 HydrophobicContact CE2-CG 4.15Å; F288-P323 HydrophobicContact CZ-CB 3.81Å; F288-P323 HydrophobicContact CZ-CG 3.37Å; T317-P323 PolarHBondContact OG1-O 3.33Å; E318-P323 PolarHBondContact N-O 3.19Å; P323-Y362 HydrophobicContact CB-CD2 3.79Å; P323-Y362 HydrophobicContact CB-CE2 3.96Å; P323-Y362 HydrophobicContact CB-CG 4.2Å; P323-Y362 HydrophobicContact CG-CD2 4.48Å; P323-Y362 HydrophobicContact CG-CG 4.43Å; P323-W371 HydrophobicContact CG-CE3 4.19Å; P323-W371 HydrophobicContact CG-CH2 4.04Å; P323-W371 HydrophobicContact CG-CZ2 4.41Å; P323-W371 HydrophobicContact CG-CZ3 3.91Å
324	S	97.8	Very high	97.9	Very high	24 Å²	24	38.3 Å²	38.3	17%	0.168	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-61.7	166.5	166.2	72	0	0	0	0	112.4	E318 R326	E318-S324 VanDerWaalsContact OE2-CB 3.3Å; E318-S324 WeakPolarHBondContact OE2-CB 3.39Å; S324-R326 WeakPolarHBondContact O-CG 3.46Å; S324-R326 PolarHBondContact O-N 3.21Å; S324-R326 PolarHBondContact O-NE 2.86Å; S324-R326 PolarHBondContact OG-NH2 2.77Å
325	A	98.4	Very high	97.8	Very high	36 Å²	36	39.6 Å²	39.6	30%	0.298	20%	0.198	S	C	.	.	S	Bend	trans	-50.7	132.2	171.3	0	0	0	0	0	111.9	D296 L297 A298	D296-A325 HydrophobicContact CB-CB 4.04Å; L297-A325 VanDerWaalsContact O-CA 3.31Å; L297-A325 WeakPolarHBondContact O-CA 3.46Å; A298-A325 HydrophobicContact CB-CB 3.95Å
326	R	98.4	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-161.7	152.7	-175.6	58.4	-173.4	74	-155.4	-1.7	114.8	F288 G290 L297 S324 H329 G344 R345 D360	F288-R326 HydrophobicContact CE1-CG 3.78Å; F288-R326 HydrophobicContact CZ-CG 4.32Å; G290-R326 PolarHBondContact N-O 3.32Å; L297-R326 PolarHBondContact O-N 3.45Å; L297-R326 VanDerWaalsContact O-N 3.17Å; S324-R326 WeakPolarHBondContact O-CG 3.46Å; S324-R326 PolarHBondContact O-N 3.21Å; S324-R326 PolarHBondContact O-NE 2.86Å; S324-R326 PolarHBondContact OG-NH2 2.77Å; R326-H329 HydrophobicContact CG-CB 4.31Å; R326-H329 PolarHBondContact O-ND1 3.43Å; R326-G344 PolarHBondContact NH1-O 3.26Å; R326-R345 HydrophobicContact CB-CB 3.65Å; R326-D360 IonicContact CZ-OD1 2.64Å; R326-D360 IonicContact CZ-OD2 2.93Å; R326-D360 IonicContact NH1-OD1 3.8Å; R326-D360 PolarHBondContact NH1-OD1 3.46Å; R326-D360 IonicContact NH1-OD2 3.26Å; R326-D360 IonicContact NH2-OD1 2.95Å; R326-D360 PolarHBondContact NH2-OD1 2.56Å; R326-D360 IonicContact NH2-OD2 3.46Å; R326-D360 PolarHBondContact NH2-OD2 3.37Å
327	S	98	Very high	97.8	Very high	8 Å²	8	42 Å²	42	6%	0.056	21%	0.21	C	C	.	.	S	Bend	trans	-131.4	166.8	168.2	59.1	0	0	0	0	111.8	D296 H329 R345 Y346	D296-S327 WeakPolarHBondContact OD1-CB 3.46Å; D296-S327 PolarHBondContact OD1-N 3.34Å; D296-S327 PolarHBondContact OD1-OG 2.78Å; S327-H329 PolarHBondContact O-N 2.83Å; S327-R345 WeakPolarHBondContact O-CA 3.2Å; S327-Y346 PolarHBondContact O-N 2.96Å
328	C	97.1	Very high	97.8	Very high	30 Å²	30	44.3 Å²	44.3	20%	0.203	22%	0.218	C	C	.	.	S	Bend	trans	56.7	20.9	-178.2	-55.6	0	0	0	0	114.2	G273 F388 D389	G273-C328 PolarHBondContact O-N 3.2Å; C328-F388 HydrophobicContact CB-CB 3.99Å; C328-F388 HydrophobicContact CB-CD2 4.34Å; C328-F388 WeakPolarHBondContact O-CA 3.41Å; C328-D389 PolarHBondContact O-N 2.95Å
329	H	98.4	Very high	97.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.194	C	C	.	.			trans	-81.4	177.5	168.8	68.3	-87.1	0	0	0	109.7	Q275 F288 R326 S327 L343 G344	Q275-H329 WeakPolarHBondContact CG-NE2 3.42Å; Q275-H329 WeakPolarHBondContact CG-O 3.31Å; Q275-H329 PolarHBondContact NE2-O 2.74Å; F288-H329 AromaticContact CD1-CE1 3.95Å; F288-H329 AromaticContact CD1-NE2 3.48Å; F288-H329 WeakPolarHBondContact CD1-NE2 3.32Å; F288-H329 PolarHBondContact O-CE1 3.02Å; R326-H329 HydrophobicContact CG-CB 4.31Å; R326-H329 PolarHBondContact O-ND1 3.43Å; S327-H329 PolarHBondContact O-N 2.83Å; H329-L343 WeakPolarHBondContact CA-O 3.39Å; H329-L343 WeakPolarHBondContact CB-O 3.23Å; H329-G344 WeakPolarHBondContact CB-O 3.41Å
330	K	98.4	Very high	97.9	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.096	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.1	174.6	-166.3	74.5	-165.1	-175	0	111	T342 L343 M392	K330-T342 WeakPolarHBondContact O-CA 3.44Å; K330-L343 PolarHBondContact N-O 3.28Å; K330-L343 PolarHBondContact O-N 2.99Å; K330-M392 HydrophobicContact CB-CB 4.29Å; K330-M392 HydrophobicContact CB-CG 3.76Å; K330-M392 HydrophobicContact CB-SD 3.78Å; K330-M392 HydrophobicContact CG-CB 3.66Å; K330-M392 HydrophobicContact CG-CG 3.7Å; K330-M392 HydrophobicContact CG-SD 4.12Å
331	M	98.7	Very high	98	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.2	171.2	-66.6	166.5	73.7	0	0	110.8	Q275 V277 F288 F300 I340 Y341 T342	Q275-M331 HydrophobicContact CB-CB 4.01Å; Q275-M331 HydrophobicContact CB-CG 3.69Å; Q275-M331 HydrophobicContact CB-SD 3.47Å; Q275-M331 WeakPolarHBondContact CB-SD 3.44Å; Q275-M331 HydrophobicContact CG-CG 4.38Å; V277-M331 HydrophobicContact CG1-CB 3.72Å; V277-M331 HydrophobicContact CG2-CE 4.04Å; F288-M331 HydrophobicContact CB-CE 4.04Å; F288-M331 HydrophobicContact CB-SD 3.52Å; F288-M331 VanDerWaalsContact CB-SD 3.52Å; F288-M331 HydrophobicContact CG-SD 4.49Å; F300-M331 HydrophobicContact CE2-CE 4.15Å; M331-I340 HydrophobicContact CE-CG2 3.25Å; M331-Y341 WeakPolarHBondContact CA-O 3.39Å; M331-T342 HydrophobicContact CG-CG2 4.38Å
332	C	98.6	Very high	98.1	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.061	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.6	163.9	64.2	0	0	0	0	110	I340 Y341 M392 M394	C332-I340 WeakPolarHBondContact O-CA 3.47Å; C332-Y341 PolarHBondContact N-O 2.72Å; C332-Y341 VanDerWaalsContact N-O 3.1Å; C332-Y341 PolarHBondContact O-N 3.24Å; C332-M392 HydrophobicContact CB-CB 4.35Å; C332-M394 HydrophobicContact CB-CB 4.16Å
333	I	98.6	Very high	98.1	Very high	23 Å²	23	21.2 Å²	21.2	12%	0.118	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.8	-178.8	-173.9	169.9	0	0	0	110	V277 D279 I335 Q339 I340 I366 M394	V277-I333 HydrophobicContact CB-CB 4.06Å; V277-I333 HydrophobicContact CB-CG2 4.02Å; V277-I333 HydrophobicContact CG1-CB 4.43Å; V277-I333 HydrophobicContact CG1-CG2 4.5Å; V277-I333 HydrophobicContact CG2-CB 4.17Å; D279-I333 HydrophobicContact CB-CD1 4.13Å; I333-I335 HydrophobicContact CD1-CD1 4.28Å; I333-I335 PolarHBondContact O-N 2.8Å; I333-Q339 CarbonylContact C-O 3.52Å; I333-Q339 WeakPolarHBondContact CA-O 3.17Å; I333-I340 HydrophobicContact CB-CG1 4.38Å; I333-I340 HydrophobicContact CD1-CG1 4.11Å; I333-I340 HydrophobicContact CG1-CG1 4.06Å; I333-I366 HydrophobicContact CD1-CD1 3.86Å; I333-M394 WeakPolarHBondContact O-CB 3.33Å; I333-M394 VanDerWaalsContact O-CG 3.28Å; I333-M394 WeakPolarHBondContact O-CG 3.34Å
334	D	98.2	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	100.6	160.9	-173.2	-31.4	0	0	0	107.5	Q336 R337 R338 Q339 Y341 M394 H399	D334-Q336 VanDerWaalsContact C-N 3.3Å; D334-Q336 PolarHBondContact O-N 3.45Å; D334-Q336 PolarHBondContact OD1-N 3.31Å; D334-R337 HydrophobicContact CB-CB 4.33Å; D334-R337 PolarHBondContact O-N 2.84Å; D334-R337 PolarHBondContact OD1-N 2.69Å; D334-R337 VanDerWaalsContact OD2-CD 3.32Å; D334-R337 WeakPolarHBondContact OD2-CD 3.39Å; D334-R338 VanDerWaalsContact O-CA 3.29Å; D334-R338 WeakPolarHBondContact O-CA 3.31Å; D334-R338 PolarHBondContact O-N 3.1Å; D334-Q339 HydrophobicContact CB-CB 4.37Å; D334-Q339 PolarHBondContact N-O 2.91Å; D334-Q339 PolarHBondContact O-N 2.67Å; D334-Q339 VanDerWaalsContact O-N 3.08Å; D334-Y341 HydrophobicContact CB-CE2 4.16Å; D334-M394 HydrophobicContact CB-CE 3.5Å; D334-M394 VanDerWaalsContact CB-CE 3.5Å; D334-M394 HydrophobicContact CB-CG 4.22Å; D334-M394 HydrophobicContact CB-SD 3.94Å; D334-M394 VanDerWaalsContact CG-CE 3.42Å; D334-M394 WeakPolarHBondContact OD2-CE 3.28Å; D334-H399 IonicContact OD1-ND1 3.46Å; D334-H399 IonicContact OD2-CE1 2.65Å; D334-H399 IonicContact OD2-CG 3.38Å; D334-H399 IonicContact OD2-ND1 2.61Å; D334-H399 PolarHBondContact OD2-ND1 2.89Å
335	I	96.1	Very high	98.2	Very high	31 Å²	31	21 Å²	21	16%	0.159	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.1	-174.5	-164.7	63.1	0	0	0	112	D279 V280 Q281 I333 S396	D279-I335 HydrophobicContact CB-CD1 3.97Å; D279-I335 VanDerWaalsContact OD1-CD1 3.23Å; D279-I335 WeakPolarHBondContact OD1-CD1 3.16Å; V280-I335 HydrophobicContact CG2-CD1 4.43Å; V280-I335 HydrophobicContact CG2-CG1 4.3Å; Q281-I335 HydrophobicContact CG-CG1 4.37Å; I333-I335 HydrophobicContact CD1-CD1 4.28Å; I333-I335 PolarHBondContact O-N 2.8Å; I335-S396 PolarHBondContact N-OG 2.97Å
336	Q	96.7	Very high	98.1	Very high	119 Å²	119	23.1 Å²	23.1	56%	0.556	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.7	-179.3	-68.3	-171.7	0	0	0	111.4	D334 S396	D334-Q336 VanDerWaalsContact C-N 3.3Å; D334-Q336 PolarHBondContact O-N 3.45Å; D334-Q336 PolarHBondContact OD1-N 3.31Å; Q336-S396 PolarHBondContact OE1-O 3.28Å; Q336-S396 VanDerWaalsContact OE1-O 3.1Å
337	R	97.5	Very high	97.9	Very high	80 Å²	80	24.5 Å²	24.5	30%	0.302	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.8	177.8	-62.6	178.8	61.3	-170	0.6	113.7	D334 Q339 H399 C433	D334-R337 HydrophobicContact CB-CB 4.33Å; D334-R337 PolarHBondContact O-N 2.84Å; D334-R337 PolarHBondContact OD1-N 2.69Å; D334-R337 VanDerWaalsContact OD2-CD 3.32Å; D334-R337 WeakPolarHBondContact OD2-CD 3.39Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; R337-Q339 HydrophobicContact CB-CG 3.8Å; R337-Q339 WeakPolarHBondContact O-CG 3.27Å; R337-Q339 PolarHBondContact O-N 2.94Å; R337-Q339 PolarHBondContact O-NE2 3.31Å; R337-H399 VanDerWaalsContact CD-ND1 3.31Å; R337-H399 WeakPolarHBondContact CD-ND1 3.23Å; R337-C433 PolarHBondContact NH1-O 3.4Å
338	R	98.1	Very high	97.6	Very high	47 Å²	47	28 Å²	28	18%	0.177	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.6	-176.3	-57	172.5	58.3	68	13.9	111.6	D279 T282 D334 I366 D367	D279-R338 IonicContact OD1-NH1 3.88Å; D279-R338 IonicContact OD2-CZ 3.66Å; D279-R338 VanDerWaalsContact OD2-CZ 3.29Å; D279-R338 IonicContact OD2-NH1 3.68Å; D279-R338 PolarHBondContact OD2-NH1 2.92Å; D279-R338 IonicContact OD2-NH2 2.72Å; D279-R338 PolarHBondContact OD2-NH2 2.68Å; T282-R338 VanDerWaalsContact CG2-NH1 3.33Å; D334-R338 VanDerWaalsContact O-CA 3.29Å; D334-R338 WeakPolarHBondContact O-CA 3.31Å; D334-R338 PolarHBondContact O-N 3.1Å; R338-I366 HydrophobicContact CB-CB 4.18Å; R338-I366 HydrophobicContact CB-CD1 4.22Å; R338-I366 VanDerWaalsContact NH2-CG2 3.3Å; R338-I366 VanDerWaalsContact O-CB 3.25Å; R338-I366 WeakPolarHBondContact O-CB 3.31Å; R338-I366 WeakPolarHBondContact O-CD1 3.42Å; R338-I366 VanDerWaalsContact O-CG1 3.24Å; R338-I366 WeakPolarHBondContact O-CG1 3.42Å; R338-I366 PolarHBondContact O-N 3.12Å; R338-D367 WeakPolarHBondContact CD-OD1 3.2Å; R338-D367 IonicContact CZ-OD1 2.77Å; R338-D367 IonicContact NE-OD1 3.99Å; R338-D367 PolarHBondContact NE-OD1 2.81Å; R338-D367 IonicContact NE-OD2 2.81Å; R338-D367 IonicContact NH2-OD1 2.71Å
339	Q	98.6	Very high	97.1	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.3	-178.4	-56.1	-63.2	-55.4	0	0	111	I333 D334 R337 Y341 R363 Y364 D365	I333-Q339 CarbonylContact C-O 3.52Å; I333-Q339 WeakPolarHBondContact CA-O 3.17Å; D334-Q339 HydrophobicContact CB-CB 4.37Å; D334-Q339 PolarHBondContact N-O 2.91Å; D334-Q339 PolarHBondContact O-N 2.67Å; D334-Q339 VanDerWaalsContact O-N 3.08Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; R337-Q339 HydrophobicContact CB-CG 3.8Å; R337-Q339 WeakPolarHBondContact O-CG 3.27Å; R337-Q339 PolarHBondContact O-N 2.94Å; R337-Q339 PolarHBondContact O-NE2 3.31Å; Q339-Y341 HydrophobicContact CB-CE2 3.77Å; Q339-R363 HydrophobicContact CB-CG 4.01Å; Q339-R363 HydrophobicContact CG-CG 4.49Å; Q339-R363 VanDerWaalsContact OE1-CD 3.23Å; Q339-Y364 CarbonylContact C-O 3.6Å; Q339-Y364 WeakPolarHBondContact CA-O 3.02Å; Q339-Y364 PolarHBondContact OE1-O 3.49Å; Q339-D365 PolarHBondContact NE2-OD2 3.26Å; Q339-D365 PolarHBondContact OE1-OD2 3.34Å
340	I	98.8	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.1	177.5	-61	174.1	0	0	0	108.7	V277 Y286 F300 M331 C332 I333 R363 Y364 I366	V277-I340 HydrophobicContact CG2-CD1 3.77Å; V277-I340 HydrophobicContact CG2-CG1 3.98Å; V277-I340 HydrophobicContact CG2-CG2 4.11Å; Y286-I340 HydrophobicContact CD1-CD1 3.89Å; Y286-I340 HydrophobicContact CD2-CD1 3.7Å; Y286-I340 HydrophobicContact CE1-CD1 4.41Å; Y286-I340 HydrophobicContact CE2-CD1 4.26Å; Y286-I340 HydrophobicContact CG-CD1 3.5Å; Y286-I340 VanDerWaalsContact CG-CD1 3.5Å; F300-I340 HydrophobicContact CZ-CD1 4.09Å; M331-I340 HydrophobicContact CE-CG2 3.25Å; C332-I340 WeakPolarHBondContact O-CA 3.47Å; I333-I340 HydrophobicContact CB-CG1 4.38Å; I333-I340 HydrophobicContact CD1-CG1 4.11Å; I333-I340 HydrophobicContact CG1-CG1 4.06Å; I340-R363 CarbonylContact O-C 3.55Å; I340-R363 VanDerWaalsContact O-CA 3.25Å; I340-R363 WeakPolarHBondContact O-CA 3.31Å; I340-Y364 HydrophobicContact CD1-CD1 4.08Å; I340-Y364 PolarHBondContact N-O 3.05Å; I340-Y364 PolarHBondContact O-N 2.95Å; I340-I366 HydrophobicContact CD1-CD1 4.02Å; I340-I366 HydrophobicContact CD1-CG1 4.11Å; I340-I366 HydrophobicContact CG1-CD1 4.02Å; I340-I366 HydrophobicContact CG1-CG1 4.24Å
341	Y	98.8	Very high	96.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.8	178.5	-63.7	-97.3	0	0	0	110.3	M331 C332 D334 Q339 F361 Y362 R363 L374 I401 F431	M331-Y341 WeakPolarHBondContact CA-O 3.39Å; C332-Y341 PolarHBondContact N-O 2.72Å; C332-Y341 VanDerWaalsContact N-O 3.1Å; C332-Y341 PolarHBondContact O-N 3.24Å; D334-Y341 HydrophobicContact CB-CE2 4.16Å; Q339-Y341 HydrophobicContact CB-CE2 3.77Å; Y341-F361 HydrophobicContact CD1-CE1 4.2Å; Y341-F361 HydrophobicContact CD1-CE2 4.22Å; Y341-F361 AromaticContact CD1-CZ 3.57Å; Y341-F361 HydrophobicContact CD1-CZ 3.57Å; Y341-F361 HydrophobicContact CE1-CZ 4.47Å; Y341-F361 HydrophobicContact CG-CZ 4.21Å; Y341-Y362 WeakPolarHBondContact CA-O 3.2Å; Y341-R363 HydrophobicContact CD1-CB 4.01Å; Y341-R363 HydrophobicContact CD1-CG 4.04Å; Y341-R363 HydrophobicContact CE1-CB 3.96Å; Y341-R363 HydrophobicContact CE1-CG 3.72Å; Y341-R363 HydrophobicContact CE2-CG 4.37Å; Y341-R363 WeakPolarHBondContact OH-CD 3.4Å; Y341-L374 HydrophobicContact CD1-CD1 3.87Å; Y341-L374 HydrophobicContact CE1-CD1 3.71Å; Y341-I401 HydrophobicContact CD1-CD1 3.6Å; Y341-I401 HydrophobicContact CD2-CD1 3.67Å; Y341-I401 HydrophobicContact CE1-CD1 4.03Å; Y341-I401 HydrophobicContact CE2-CD1 4.12Å; Y341-I401 HydrophobicContact CG-CD1 3.39Å; Y341-F431 HydrophobicContact CE1-CE1 4.47Å
342	T	98.8	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.6	-176.3	-60	0	0	0	0	110.2	F288 K330 M331 F361 Y362	F288-T342 HydrophobicContact CD1-CG2 4.15Å; F288-T342 HydrophobicContact CE1-CG2 4.15Å; K330-T342 WeakPolarHBondContact O-CA 3.44Å; M331-T342 HydrophobicContact CG-CG2 4.38Å; T342-F361 VanDerWaalsContact O-CD2 3.3Å; T342-F361 WeakPolarHBondContact O-CD2 3.18Å; T342-Y362 PolarHBondContact N-O 3.44Å; T342-Y362 PolarHBondContact O-N 3.37Å
343	L	98.8	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.9	179.4	-174.4	64.6	0	0	0	111.9	H329 K330 F361 T378 P384 H390 M392 T403 W438	H329-L343 WeakPolarHBondContact CA-O 3.39Å; H329-L343 WeakPolarHBondContact CB-O 3.23Å; K330-L343 PolarHBondContact N-O 3.28Å; K330-L343 PolarHBondContact O-N 2.99Å; L343-F361 HydrophobicContact CB-CD2 3.91Å; L343-F361 HydrophobicContact CB-CE2 4.2Å; L343-F361 HydrophobicContact CD1-CB 4.03Å; L343-F361 HydrophobicContact CD1-CD2 3.84Å; L343-F361 HydrophobicContact CD1-CG 4.23Å; L343-F361 HydrophobicContact CG-CD2 4.38Å; L343-T378 HydrophobicContact CD1-CG2 4.05Å; L343-P384 HydrophobicContact CD2-CG 3.9Å; L343-H390 PolarHBondContact O-CE1 3.27Å; L343-M392 HydrophobicContact CB-CE 3.94Å; L343-M392 HydrophobicContact CB-SD 3.53Å; L343-M392 VanDerWaalsContact CB-SD 3.53Å; L343-M392 HydrophobicContact CD2-SD 4.43Å; L343-T403 HydrophobicContact CD2-CG2 4.05Å; L343-W438 HydrophobicContact CD2-CH2 4.06Å
344	G	98.5	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.			trans	80	171.8	170.9	0	0	0	0	0	114.2	R326 H329 V387	R326-G344 PolarHBondContact NH1-O 3.26Å; H329-G344 WeakPolarHBondContact CB-O 3.41Å; G344-V387 WeakPolarHBondContact CA-O 3.46Å
345	R	98	Very high	94.7	Very high	21 Å²	21	53.4 Å²	53.4	8%	0.079	28%	0.275	C	S	.	.			trans	-175.1	152.6	174.5	52.2	169.4	179.2	-101	-4.6	110.2	R326 S327 S356 K358 D360 L386 V387 L409	R326-R345 HydrophobicContact CB-CB 3.65Å; S327-R345 WeakPolarHBondContact O-CA 3.2Å; R345-S356 PolarHBondContact NH2-O 2.77Å; R345-K358 PolarHBondContact NH2-O 3.03Å; R345-D360 IonicContact CZ-OD1 2.76Å; R345-D360 IonicContact CZ-OD2 3.84Å; R345-D360 IonicContact NH1-OD1 3.07Å; R345-D360 PolarHBondContact NH1-OD1 2.86Å; R345-D360 IonicContact NH1-OD2 3.91Å; R345-D360 PolarHBondContact NH1-OD2 3.38Å; R345-L386 HydrophobicContact CG-CD1 3.63Å; R345-L386 HydrophobicContact CG-CD2 4.29Å; R345-L386 HydrophobicContact CG-CG 4.47Å; R345-V387 PolarHBondContact N-O 2.59Å; R345-V387 VanDerWaalsContact N-O 3.07Å; R345-L409 WeakPolarHBondContact O-CD1 3.34Å
346	Y	96.6	Very high	94.4	Very high	80 Å²	80	53.2 Å²	53.2	31%	0.314	28%	0.276	S	S	.	.			trans	-82.8	146.4	163.1	-179.1	-102.5	0	0	0	110.8	S327 F388	S327-Y346 PolarHBondContact O-N 2.96Å; Y346-F388 HydrophobicContact CD2-CD1 4.04Å; Y346-F388 AromaticContact CD2-CD2 3.83Å; Y346-F388 HydrophobicContact CD2-CD2 3.83Å; Y346-F388 HydrophobicContact CD2-CE1 4.05Å; Y346-F388 AromaticContact CD2-CE2 3.85Å; Y346-F388 HydrophobicContact CD2-CE2 3.85Å; Y346-F388 AromaticContact CD2-CG 3.92Å; Y346-F388 HydrophobicContact CD2-CG 3.92Å; Y346-F388 AromaticContact CD2-CZ 3.94Å; Y346-F388 HydrophobicContact CD2-CZ 3.94Å; Y346-F388 HydrophobicContact CE2-CE1 4.4Å; Y346-F388 HydrophobicContact CE2-CE2 4.28Å; Y346-F388 HydrophobicContact CE2-CZ 4.11Å
347	L	95	Very high	94.2	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.147	26%	0.256	C	S	.	.			trans	-135.5	135.6	170.8	-67.5	175.5	0	0	0	109.5	V351 R352 S356 L357 L386 L409	L347-V351 HydrophobicContact CB-CG2 4.14Å; L347-V351 HydrophobicContact CD2-CG2 4.31Å; L347-R352 HydrophobicContact CB-CG 4.3Å; L347-R352 VanDerWaalsContact O-CZ 3.28Å; L347-R352 PolarHBondContact O-NE 3.1Å; L347-R352 PolarHBondContact O-NH2 3.09Å; L347-S356 WeakPolarHBondContact CD1-O 3.49Å; L347-L357 HydrophobicContact CD1-CD2 4.38Å; L347-L386 HydrophobicContact CD1-CD2 3.9Å; L347-L409 HydrophobicContact CB-CD1 4.01Å; L347-L409 HydrophobicContact CD1-CD1 4.45Å; L347-L409 HydrophobicContact CG-CD1 4.23Å
348	D	91.1	Very high	94.2	Very high	83 Å²	83	48.6 Å²	48.6	44%	0.444	26%	0.258	S	S	.	.			trans	-62.3	148.3	172	-171.3	-92.4	0	0	0	111.3	S350 V351 R352	D348-S350 PolarHBondContact O-N 3.15Å; D348-S350 VanDerWaalsContact OD1-CB 3.32Å; D348-S350 WeakPolarHBondContact OD1-CB 3.36Å; D348-S350 PolarHBondContact OD1-N 3.15Å; D348-S350 PolarHBondContact OD1-OG 3.1Å; D348-V351 HydrophobicContact CB-CG2 4.5Å; D348-V351 VanDerWaalsContact O-CG2 3.23Å; D348-V351 WeakPolarHBondContact O-CG2 3.5Å; D348-V351 PolarHBondContact O-N 3.3Å; D348-R352 WeakPolarHBondContact O-CG 3.44Å
349	S	87.8	Confident	94.2	Very high	47 Å²	47	46.4 Å²	46.4	33%	0.329	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-57	-31.8	-178.9	179.5	0	0	0	0	112.9	V351 R352 N412	S349-V351 VanDerWaalsContact C-N 3.26Å; S349-V351 PolarHBondContact O-N 3.38Å; S349-R352 PolarHBondContact O-N 2.65Å; S349-N412 PolarHBondContact O-ND2 3.13Å; S349-N412 VanDerWaalsContact OG-CG 3.29Å; S349-N412 PolarHBondContact OG-ND2 3.01Å; S349-N412 PolarHBondContact OG-OD1 3.26Å
350	S	88.9	Confident	94.1	Very high	99 Å²	99	46.8 Å²	46.8	69%	0.692	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.8	-179.2	56.8	0	0	0	0	114.8	D348	D348-S350 PolarHBondContact O-N 3.15Å; D348-S350 VanDerWaalsContact OD1-CB 3.32Å; D348-S350 WeakPolarHBondContact OD1-CB 3.36Å; D348-S350 PolarHBondContact OD1-N 3.15Å; D348-S350 PolarHBondContact OD1-OG 3.1Å
351	V	90.1	Very high	94.1	Very high	74 Å²	74	46.8 Å²	46.8	45%	0.448	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-105.3	-1.2	-176.7	-62	0	0	0	0	113.6	L347 D348 S349 N353 S356	L347-V351 HydrophobicContact CB-CG2 4.14Å; L347-V351 HydrophobicContact CD2-CG2 4.31Å; D348-V351 HydrophobicContact CB-CG2 4.5Å; D348-V351 VanDerWaalsContact O-CG2 3.23Å; D348-V351 WeakPolarHBondContact O-CG2 3.5Å; D348-V351 PolarHBondContact O-N 3.3Å; S349-V351 VanDerWaalsContact C-N 3.26Å; S349-V351 PolarHBondContact O-N 3.38Å; V351-N353 PolarHBondContact O-N 3.18Å; V351-N353 PolarHBondContact O-ND2 3.35Å; V351-S356 PolarHBondContact O-OG 3.32Å; V351-S356 VanDerWaalsContact O-OG 3.12Å
352	R	92.2	Very high	94.1	Very high	45 Å²	45	48 Å²	48	17%	0.17	26%	0.257	C	S	.	.			trans	-76.7	119.4	-174.6	-63.1	178.9	-165.2	173.1	2.3	112.1	L347 D348 S349 L357 T410	L347-R352 HydrophobicContact CB-CG 4.3Å; L347-R352 VanDerWaalsContact O-CZ 3.28Å; L347-R352 PolarHBondContact O-NE 3.1Å; L347-R352 PolarHBondContact O-NH2 3.09Å; D348-R352 WeakPolarHBondContact O-CG 3.44Å; S349-R352 PolarHBondContact O-N 2.65Å; R352-L357 HydrophobicContact CB-CD2 4.25Å; R352-L357 HydrophobicContact CG-CD2 4.11Å; R352-T410 WeakPolarHBondContact CD-O 2.72Å
353	N	90.2	Very high	94.1	Very high	81 Å²	81	49.6 Å²	49.6	43%	0.433	26%	0.262	S	S	.	.			trans	-144.9	173	171.1	62.3	64.3	0	0	0	110.5	V351 K355 S356 L357 C411	V351-N353 PolarHBondContact O-N 3.18Å; V351-N353 PolarHBondContact O-ND2 3.35Å; N353-K355 PolarHBondContact O-N 2.89Å; N353-K355 VanDerWaalsContact O-N 3.08Å; N353-K355 WeakPolarHBondContact OD1-CA 3.34Å; N353-K355 WeakPolarHBondContact OD1-CB 3.36Å; N353-K355 PolarHBondContact OD1-N 3.48Å; N353-S356 PolarHBondContact N-OG 2.78Å; N353-S356 PolarHBondContact O-N 2.87Å; N353-S356 VanDerWaalsContact O-N 3.17Å; N353-S356 PolarHBondContact O-OG 3.45Å; N353-S356 VanDerWaalsContact O-OG 3.11Å; N353-S356 PolarHBondContact OD1-N 3.27Å; N353-L357 WeakPolarHBondContact O-CB 3.34Å; N353-L357 VanDerWaalsContact O-CG 3.29Å; N353-L357 WeakPolarHBondContact O-CG 2.87Å; N353-L357 PolarHBondContact O-N 2.89Å; N353-C411 VanDerWaalsContact C-SG 3.53Å
354	S	87.5	Confident	94.1	Very high	104 Å²	104	49.9 Å²	49.9	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.6	-176.5	-171.7	0	0	0	0	114
355	K	89.8	Confident	94.1	Very high	174 Å²	174	51.3 Å²	51.3	76%	0.757	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-43.2	178.5	-175.2	-179.3	177.7	-177.3	0	111.5	N353 L357 K358	N353-K355 PolarHBondContact O-N 2.89Å; N353-K355 VanDerWaalsContact O-N 3.08Å; N353-K355 WeakPolarHBondContact OD1-CA 3.34Å; N353-K355 WeakPolarHBondContact OD1-CB 3.36Å; N353-K355 PolarHBondContact OD1-N 3.48Å; K355-L357 PolarHBondContact O-N 2.77Å; K355-K358 PolarHBondContact O-N 2.88Å
356	S	90.4	Very high	94.1	Very high	27 Å²	27	51.1 Å²	51.1	19%	0.189	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.5	-178.6	74.3	0	0	0	0	113	R345 L347 V351 N353 K358	R345-S356 PolarHBondContact NH2-O 2.77Å; L347-S356 WeakPolarHBondContact CD1-O 3.49Å; V351-S356 PolarHBondContact O-OG 3.32Å; V351-S356 VanDerWaalsContact O-OG 3.12Å; N353-S356 PolarHBondContact N-OG 2.78Å; N353-S356 PolarHBondContact O-N 2.87Å; N353-S356 VanDerWaalsContact O-N 3.17Å; N353-S356 PolarHBondContact O-OG 3.45Å; N353-S356 VanDerWaalsContact O-OG 3.11Å; N353-S356 PolarHBondContact OD1-N 3.27Å; S356-K358 VanDerWaalsContact C-N 3.33Å
357	L	93.6	Very high	94.2	Very high	26 Å²	26	52.3 Å²	52.3	14%	0.136	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.7	179.8	-67.5	-176.8	0	0	0	114.7	L347 R352 N353 K355 S359 L386 L409 T410 C411	L347-L357 HydrophobicContact CD1-CD2 4.38Å; R352-L357 HydrophobicContact CB-CD2 4.25Å; R352-L357 HydrophobicContact CG-CD2 4.11Å; N353-L357 WeakPolarHBondContact O-CB 3.34Å; N353-L357 VanDerWaalsContact O-CG 3.29Å; N353-L357 WeakPolarHBondContact O-CG 2.87Å; N353-L357 PolarHBondContact O-N 2.89Å; K355-L357 PolarHBondContact O-N 2.77Å; L357-S359 PolarHBondContact O-N 3.14Å; L357-L386 HydrophobicContact CD2-CD2 4.12Å; L357-L386 VanDerWaalsContact O-CB 3.24Å; L357-L386 WeakPolarHBondContact O-CB 2.9Å; L357-L409 HydrophobicContact CD2-CB 3.61Å; L357-L409 HydrophobicContact CD2-CD1 4.5Å; L357-T410 VanDerWaalsContact CD1-C 3.47Å; L357-C411 HydrophobicContact CD1-CB 4.17Å; L357-C411 VanDerWaalsContact CD1-N 3.3Å; L357-C411 WeakPolarHBondContact CD1-SG 3.31Å
358	K	96.3	Very high	94.3	Very high	76 Å²	76	55 Å²	55	33%	0.33	30%	0.301	S	S	.	.			trans	-59.8	134.5	167.7	-74.2	-171.2	168.2	-165.5	0	110.3	R345 K355 S356 D360 E376 D377	R345-K358 PolarHBondContact NH2-O 3.03Å; K355-K358 PolarHBondContact O-N 2.88Å; S356-K358 VanDerWaalsContact C-N 3.33Å; K358-D360 PolarHBondContact O-N 2.61Å; K358-E376 WeakPolarHBondContact CB-O 3.34Å; K358-E376 IonicContact NZ-OE2 2.79Å; K358-E376 PolarHBondContact NZ-OE2 3.22Å; K358-D377 HydrophobicContact CB-CB 4.07Å; K358-D377 HydrophobicContact CD-CB 4.31Å; K358-D377 HydrophobicContact CG-CB 4.07Å
359	S	97.5	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.			trans	-91.7	89.6	-178.5	-172.5	0	0	0	0	110.5	L357 D377 T378	L357-S359 PolarHBondContact O-N 3.14Å; S359-D377 PolarHBondContact N-OD1 2.96Å; S359-D377 CarbonylContact O-C 3.6Å; S359-D377 VanDerWaalsContact O-CA 3.3Å; S359-D377 WeakPolarHBondContact O-CA 3.06Å; S359-T378 WeakPolarHBondContact CB-OG1 3.45Å; S359-T378 PolarHBondContact O-N 3.24Å; S359-T378 PolarHBondContact O-OG1 3.4Å; S359-T378 PolarHBondContact OG-OG1 3.11Å
360	D	98.2	Very high	95.1	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	31%	0.306	C	S	.	.			trans	-72.7	145.8	178.6	57.8	8.3	0	0	0	112.1	R326 R345 K358 Y362 L373 S375	R326-D360 IonicContact CZ-OD1 2.64Å; R326-D360 IonicContact CZ-OD2 2.93Å; R326-D360 IonicContact NH1-OD1 3.8Å; R326-D360 PolarHBondContact NH1-OD1 3.46Å; R326-D360 IonicContact NH1-OD2 3.26Å; R326-D360 IonicContact NH2-OD1 2.95Å; R326-D360 PolarHBondContact NH2-OD1 2.56Å; R326-D360 IonicContact NH2-OD2 3.46Å; R326-D360 PolarHBondContact NH2-OD2 3.37Å; R345-D360 IonicContact CZ-OD1 2.76Å; R345-D360 IonicContact CZ-OD2 3.84Å; R345-D360 IonicContact NH1-OD1 3.07Å; R345-D360 PolarHBondContact NH1-OD1 2.86Å; R345-D360 IonicContact NH1-OD2 3.91Å; R345-D360 PolarHBondContact NH1-OD2 3.38Å; K358-D360 PolarHBondContact O-N 2.61Å; D360-Y362 HydrophobicContact CB-CD2 4.4Å; D360-Y362 HydrophobicContact CB-CE2 3.7Å; D360-L373 HydrophobicContact CB-CD1 4.26Å; D360-S375 WeakPolarHBondContact CA-O 3.16Å
361	F	98.7	Very high	95.6	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.4	-179.2	-176.8	-134.3	0	0	0	111	Y341 T342 L343 L374 S375 T378 M392 I401 F431 W438	Y341-F361 HydrophobicContact CD1-CE1 4.2Å; Y341-F361 HydrophobicContact CD1-CE2 4.22Å; Y341-F361 AromaticContact CD1-CZ 3.57Å; Y341-F361 HydrophobicContact CD1-CZ 3.57Å; Y341-F361 HydrophobicContact CE1-CZ 4.47Å; Y341-F361 HydrophobicContact CG-CZ 4.21Å; T342-F361 VanDerWaalsContact O-CD2 3.3Å; T342-F361 WeakPolarHBondContact O-CD2 3.18Å; L343-F361 HydrophobicContact CB-CD2 3.91Å; L343-F361 HydrophobicContact CB-CE2 4.2Å; L343-F361 HydrophobicContact CD1-CB 4.03Å; L343-F361 HydrophobicContact CD1-CD2 3.84Å; L343-F361 HydrophobicContact CD1-CG 4.23Å; L343-F361 HydrophobicContact CG-CD2 4.38Å; F361-L374 HydrophobicContact CD1-CB 3.89Å; F361-L374 HydrophobicContact CD1-CD1 3.83Å; F361-L374 HydrophobicContact CD1-CG 4.47Å; F361-L374 HydrophobicContact CE1-CB 4.47Å; F361-L374 HydrophobicContact CE1-CD1 3.6Å; F361-L374 HydrophobicContact CZ-CD1 4.28Å; F361-L374 PolarHBondContact O-N 3.39Å; F361-S375 PolarHBondContact N-O 3.15Å; F361-S375 PolarHBondContact O-N 3Å; F361-T378 HydrophobicContact CB-CG2 3.51Å; F361-T378 HydrophobicContact CD1-CG2 4.5Å; F361-T378 HydrophobicContact CG-CG2 4.19Å; F361-M392 HydrophobicContact CE2-CE 4.07Å; F361-I401 HydrophobicContact CZ-CD1 3.94Å; F361-F431 HydrophobicContact CD1-CZ 4.42Å; F361-F431 AromaticContact CE1-CD1 3.89Å; F361-F431 HydrophobicContact CE1-CD1 3.89Å; F361-F431 HydrophobicContact CE1-CD2 4.33Å; F361-F431 AromaticContact CE1-CE1 3.65Å; F361-F431 HydrophobicContact CE1-CE1 3.65Å; F361-F431 HydrophobicContact CE1-CE2 4.11Å; F361-F431 HydrophobicContact CE1-CG 4.2Å; F361-F431 AromaticContact CE1-CZ 3.76Å; F361-F431 HydrophobicContact CE1-CZ 3.76Å; F361-F431 HydrophobicContact CZ-CD1 4.27Å; F361-F431 HydrophobicContact CZ-CE1 4.31Å; F361-W438 AromaticContact CD1-CZ2 3.93Å; F361-W438 HydrophobicContact CD1-CZ2 3.93Å; F361-W438 AromaticContact CE1-CZ2 3.87Å; F361-W438 HydrophobicContact CE1-CZ2 3.87Å; F361-W438 HydrophobicContact CG-CZ2 4.33Å; F361-W438 HydrophobicContact CZ-CZ2 4.22Å
362	Y	98.7	Very high	96	Very high	27 Å²	27	53 Å²	53	11%	0.106	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.8	-172.7	-69.8	-93.5	0	0	0	112	N321 G322 P323 Y341 T342 D360 M372 L373	N321-Y362 WeakPolarHBondContact O-CE1 3.37Å; G322-Y362 WeakPolarHBondContact O-CE1 3.42Å; G322-Y362 PolarHBondContact O-OH 2.99Å; P323-Y362 HydrophobicContact CB-CD2 3.79Å; P323-Y362 HydrophobicContact CB-CE2 3.96Å; P323-Y362 HydrophobicContact CB-CG 4.2Å; P323-Y362 HydrophobicContact CG-CD2 4.48Å; P323-Y362 HydrophobicContact CG-CG 4.43Å; Y341-Y362 WeakPolarHBondContact CA-O 3.2Å; T342-Y362 PolarHBondContact N-O 3.44Å; T342-Y362 PolarHBondContact O-N 3.37Å; D360-Y362 HydrophobicContact CB-CD2 4.4Å; D360-Y362 HydrophobicContact CB-CE2 3.7Å; Y362-M372 WeakPolarHBondContact CA-O 3.33Å; Y362-L373 HydrophobicContact CD1-CB 4.18Å; Y362-L373 HydrophobicContact CD1-CD1 4.09Å; Y362-L373 HydrophobicContact CD2-CD1 4.29Å; Y362-L373 HydrophobicContact CE1-CB 3.89Å; Y362-L373 HydrophobicContact CE1-CD1 3.65Å; Y362-L373 HydrophobicContact CE1-CG 4.35Å; Y362-L373 HydrophobicContact CE2-CD1 3.86Å; Y362-L373 HydrophobicContact CG-CD1 4.4Å
363	R	98.5	Very high	96.3	Very high	32 Å²	32	54.3 Å²	54.3	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.9	166.1	-173.5	-174.8	77.3	-153.2	-2.7	109.8	Q339 I340 Y341 W371 M372 L374	Q339-R363 HydrophobicContact CB-CG 4.01Å; Q339-R363 HydrophobicContact CG-CG 4.49Å; Q339-R363 VanDerWaalsContact OE1-CD 3.23Å; I340-R363 CarbonylContact O-C 3.55Å; I340-R363 VanDerWaalsContact O-CA 3.25Å; I340-R363 WeakPolarHBondContact O-CA 3.31Å; Y341-R363 HydrophobicContact CD1-CB 4.01Å; Y341-R363 HydrophobicContact CD1-CG 4.04Å; Y341-R363 HydrophobicContact CE1-CB 3.96Å; Y341-R363 HydrophobicContact CE1-CG 3.72Å; Y341-R363 HydrophobicContact CE2-CG 4.37Å; Y341-R363 WeakPolarHBondContact OH-CD 3.4Å; R363-W371 CarbonylContact O-C 3.46Å; R363-W371 WeakPolarHBondContact O-CA 3.15Å; R363-M372 PolarHBondContact N-O 3.2Å; R363-M372 PolarHBondContact NH2-SD 3.47Å; R363-M372 VanDerWaalsContact NH2-SD 3.43Å; R363-M372 PolarHBondContact O-N 3.2Å; R363-L374 HydrophobicContact CB-CD1 3.84Å; R363-L374 HydrophobicContact CB-CD2 4.34Å; R363-L374 HydrophobicContact CB-CG 4.06Å
364	Y	98.8	Very high	96.6	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.1	165.7	175	-102.2	0	0	0	109.6	Y286 F300 I313 Q339 I340 I366 N369 T370 W371	Y286-Y364 HydrophobicContact CE1-CE1 4.39Å; F300-Y364 HydrophobicContact CD1-CE2 4.46Å; F300-Y364 AromaticContact CE1-CD1 3.8Å; F300-Y364 HydrophobicContact CE1-CD1 3.8Å; F300-Y364 HydrophobicContact CE1-CD2 4.08Å; F300-Y364 AromaticContact CE1-CE1 3.59Å; F300-Y364 HydrophobicContact CE1-CE1 3.59Å; F300-Y364 AromaticContact CE1-CE2 3.9Å; F300-Y364 HydrophobicContact CE1-CE2 3.9Å; F300-Y364 HydrophobicContact CE1-CG 4.02Å; F300-Y364 AromaticContact CE1-CZ 3.64Å; F300-Y364 AromaticContact CZ-CD1 3.98Å; F300-Y364 HydrophobicContact CZ-CD1 3.98Å; F300-Y364 HydrophobicContact CZ-CE1 4.04Å; F300-Y364 HydrophobicContact CZ-CG 4.39Å; I313-Y364 HydrophobicContact CG2-CE2 4.47Å; Q339-Y364 CarbonylContact C-O 3.6Å; Q339-Y364 WeakPolarHBondContact CA-O 3.02Å; Q339-Y364 PolarHBondContact OE1-O 3.49Å; I340-Y364 HydrophobicContact CD1-CD1 4.08Å; I340-Y364 PolarHBondContact N-O 3.05Å; I340-Y364 PolarHBondContact O-N 2.95Å; Y364-I366 HydrophobicContact CD1-CG1 3.97Å; Y364-I366 HydrophobicContact CE1-CB 4.29Å; Y364-I366 HydrophobicContact CE1-CG1 3.84Å; Y364-N369 WeakPolarHBondContact CE2-OD1 3.37Å; Y364-N369 PolarHBondContact OH-OD1 2.93Å; Y364-T370 WeakPolarHBondContact CA-O 3.38Å; Y364-T370 WeakPolarHBondContact CD2-O 3.25Å; Y364-W371 VanDerWaalsContact CB-CZ3 3.49Å; Y364-W371 AromaticContact CD2-CD1 3.85Å; Y364-W371 AromaticContact CD2-CD2 3.84Å; Y364-W371 HydrophobicContact CD2-CD2 3.84Å; Y364-W371 AromaticContact CD2-CE2 3.59Å; Y364-W371 AromaticContact CD2-CG 3.99Å; Y364-W371 HydrophobicContact CD2-CG 3.99Å; Y364-W371 HydrophobicContact CD2-CZ2 4.08Å; Y364-W371 AromaticContact CD2-NE1 3.58Å; Y364-W371 HydrophobicContact CG-CD2 4.23Å; Y364-W371 HydrophobicContact CG-CE3 4.5Å; Y364-W371 HydrophobicContact CG-CH2 4.36Å; Y364-W371 HydrophobicContact CG-CZ2 4.08Å
365	D	98.5	Very high	97.2	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.3	175.4	-176.2	-60.6	0	0	0	108.9	Q339 D367 T368 N369 T370	Q339-D365 PolarHBondContact NE2-OD2 3.26Å; Q339-D365 PolarHBondContact OE1-OD2 3.34Å; D365-D367 VanDerWaalsContact C-N 3.34Å; D365-D367 PolarHBondContact O-N 3.26Å; D365-D367 PolarHBondContact OD1-N 3.01Å; D365-T368 VanDerWaalsContact CB-OG1 3.24Å; D365-T368 WeakPolarHBondContact CB-OG1 3.32Å; D365-T368 WeakPolarHBondContact OD1-CB 3.3Å; D365-T368 WeakPolarHBondContact OD1-CG2 3.42Å; D365-T368 PolarHBondContact OD1-N 2.7Å; D365-T368 PolarHBondContact OD1-OG1 3.09Å; D365-N369 VanDerWaalsContact O-CA 3.28Å; D365-N369 WeakPolarHBondContact O-CA 3.49Å; D365-N369 PolarHBondContact O-N 3.12Å; D365-T370 PolarHBondContact N-O 3.45Å; D365-T370 PolarHBondContact O-N 3.48Å
366	I	98.4	Very high	97.5	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.087	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-38	-173.9	-64.9	170.7	0	0	0	111.2	Y286 I333 R338 I340 Y364	Y286-I366 HydrophobicContact CE2-CD1 3.82Å; Y286-I366 HydrophobicContact CE2-CG1 4.43Å; Y286-I366 WeakPolarHBondContact OH-CG2 3.46Å; I333-I366 HydrophobicContact CD1-CD1 3.86Å; R338-I366 HydrophobicContact CB-CB 4.18Å; R338-I366 HydrophobicContact CB-CD1 4.22Å; R338-I366 VanDerWaalsContact NH2-CG2 3.3Å; R338-I366 VanDerWaalsContact O-CB 3.25Å; R338-I366 WeakPolarHBondContact O-CB 3.31Å; R338-I366 WeakPolarHBondContact O-CD1 3.42Å; R338-I366 VanDerWaalsContact O-CG1 3.24Å; R338-I366 WeakPolarHBondContact O-CG1 3.42Å; R338-I366 PolarHBondContact O-N 3.12Å; I340-I366 HydrophobicContact CD1-CD1 4.02Å; I340-I366 HydrophobicContact CD1-CG1 4.11Å; I340-I366 HydrophobicContact CG1-CD1 4.02Å; I340-I366 HydrophobicContact CG1-CG1 4.24Å; Y364-I366 HydrophobicContact CD1-CG1 3.97Å; Y364-I366 HydrophobicContact CE1-CB 4.29Å; Y364-I366 HydrophobicContact CE1-CG1 3.84Å
367	D	98.1	Very high	97.9	Very high	106 Å²	106	45.2 Å²	45.2	57%	0.567	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-37.3	-172.8	-65.6	-33.8	0	0	0	112	R338 D365	R338-D367 WeakPolarHBondContact CD-OD1 3.2Å; R338-D367 IonicContact CZ-OD1 2.77Å; R338-D367 IonicContact NE-OD1 3.99Å; R338-D367 PolarHBondContact NE-OD1 2.81Å; R338-D367 IonicContact NE-OD2 2.81Å; R338-D367 IonicContact NH2-OD1 2.71Å; D365-D367 VanDerWaalsContact C-N 3.34Å; D365-D367 PolarHBondContact O-N 3.26Å; D365-D367 PolarHBondContact OD1-N 3.01Å
368	T	97.9	Very high	98.1	Very high	83 Å²	83	44 Å²	44	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.6	176.8	63	0	0	0	0	113.2	D365 T370	D365-T368 VanDerWaalsContact CB-OG1 3.24Å; D365-T368 WeakPolarHBondContact CB-OG1 3.32Å; D365-T368 WeakPolarHBondContact OD1-CB 3.3Å; D365-T368 WeakPolarHBondContact OD1-CG2 3.42Å; D365-T368 PolarHBondContact OD1-N 2.7Å; D365-T368 PolarHBondContact OD1-OG1 3.09Å; T368-T370 PolarHBondContact OG1-OG1 2.93Å
369	N	97.4	Very high	98.1	Very high	84 Å²	84	42.1 Å²	42.1	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	48.1	-174.8	-173.9	35.8	0	0	0	112.4	I313 Y364 D365	I313-N369 VanDerWaalsContact CG2-OD1 3.24Å; I313-N369 WeakPolarHBondContact CG2-OD1 3.25Å; Y364-N369 WeakPolarHBondContact CE2-OD1 3.37Å; Y364-N369 PolarHBondContact OH-OD1 2.93Å; D365-N369 VanDerWaalsContact O-CA 3.28Å; D365-N369 WeakPolarHBondContact O-CA 3.49Å; D365-N369 PolarHBondContact O-N 3.12Å
370	T	98.4	Very high	98.1	Very high	72 Å²	72	46 Å²	46	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.9	-178.3	60.6	0	0	0	0	112.9	Y364 D365 T368	Y364-T370 WeakPolarHBondContact CA-O 3.38Å; Y364-T370 WeakPolarHBondContact CD2-O 3.25Å; D365-T370 PolarHBondContact N-O 3.45Å; D365-T370 PolarHBondContact O-N 3.48Å; T368-T370 PolarHBondContact OG1-OG1 2.93Å
371	W	98.6	Very high	98.1	Very high	17 Å²	17	49.5 Å²	49.5	6%	0.064	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	146.2	168.1	-72	98.1	0	0	0	111.3	F300 T317 G322 P323 R363 Y364	F300-W371 AromaticContact CD1-CZ2 3.88Å; F300-W371 HydrophobicContact CD1-CZ2 3.88Å; F300-W371 HydrophobicContact CD2-CZ2 4.27Å; F300-W371 AromaticContact CE1-CZ2 3.95Å; F300-W371 HydrophobicContact CE1-CZ2 3.95Å; F300-W371 HydrophobicContact CE2-CZ2 4.35Å; F300-W371 HydrophobicContact CG-CZ2 4.06Å; F300-W371 HydrophobicContact CZ-CZ2 4.19Å; T317-W371 HydrophobicContact CG2-CZ2 4.1Å; G322-W371 VanDerWaalsContact CA-CB 3.41Å; G322-W371 VanDerWaalsContact CA-CG 3.48Å; P323-W371 HydrophobicContact CG-CE3 4.19Å; P323-W371 HydrophobicContact CG-CH2 4.04Å; P323-W371 HydrophobicContact CG-CZ2 4.41Å; P323-W371 HydrophobicContact CG-CZ3 3.91Å; R363-W371 CarbonylContact O-C 3.46Å; R363-W371 WeakPolarHBondContact O-CA 3.15Å; Y364-W371 VanDerWaalsContact CB-CZ3 3.49Å; Y364-W371 AromaticContact CD2-CD1 3.85Å; Y364-W371 AromaticContact CD2-CD2 3.84Å; Y364-W371 HydrophobicContact CD2-CD2 3.84Å; Y364-W371 AromaticContact CD2-CE2 3.59Å; Y364-W371 AromaticContact CD2-CG 3.99Å; Y364-W371 HydrophobicContact CD2-CG 3.99Å; Y364-W371 HydrophobicContact CD2-CZ2 4.08Å; Y364-W371 AromaticContact CD2-NE1 3.58Å; Y364-W371 HydrophobicContact CG-CD2 4.23Å; Y364-W371 HydrophobicContact CG-CE3 4.5Å; Y364-W371 HydrophobicContact CG-CH2 4.36Å; Y364-W371 HydrophobicContact CG-CZ2 4.08Å
372	M	98.1	Very high	98	Very high	88 Å²	88	51.5 Å²	51.5	43%	0.433	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.5	174.2	-179.2	175.4	-74.7	0	0	109.7	Y362 R363 L374	Y362-M372 WeakPolarHBondContact CA-O 3.33Å; R363-M372 PolarHBondContact N-O 3.2Å; R363-M372 PolarHBondContact NH2-SD 3.47Å; R363-M372 VanDerWaalsContact NH2-SD 3.43Å; R363-M372 PolarHBondContact O-N 3.2Å; M372-L374 HydrophobicContact CG-CD2 4.25Å; M372-L374 PolarHBondContact O-N 3.4Å; M372-L374 HydrophobicContact SD-CD2 4.17Å
373	L	98.4	Very high	98	Very high	73 Å²	73	50.6 Å²	50.6	38%	0.382	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	117.8	167.3	-179.5	66.4	0	0	0	108.9	D360 Y362 S375 E376	D360-L373 HydrophobicContact CB-CD1 4.26Å; Y362-L373 HydrophobicContact CD1-CB 4.18Å; Y362-L373 HydrophobicContact CD1-CD1 4.09Å; Y362-L373 HydrophobicContact CD2-CD1 4.29Å; Y362-L373 HydrophobicContact CE1-CB 3.89Å; Y362-L373 HydrophobicContact CE1-CD1 3.65Å; Y362-L373 HydrophobicContact CE1-CG 4.35Å; Y362-L373 HydrophobicContact CE2-CD1 3.86Å; Y362-L373 HydrophobicContact CG-CD1 4.4Å; L373-S375 WeakPolarHBondContact CD1-O 3.47Å; L373-E376 HydrophobicContact CD2-CG 3.92Å
374	L	98	Very high	98	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-34.3	177.1	-63.3	-178.2	0	0	0	112.1	Y341 F361 R363 M372 F431	Y341-L374 HydrophobicContact CD1-CD1 3.87Å; Y341-L374 HydrophobicContact CE1-CD1 3.71Å; F361-L374 HydrophobicContact CD1-CB 3.89Å; F361-L374 HydrophobicContact CD1-CD1 3.83Å; F361-L374 HydrophobicContact CD1-CG 4.47Å; F361-L374 HydrophobicContact CE1-CB 4.47Å; F361-L374 HydrophobicContact CE1-CD1 3.6Å; F361-L374 HydrophobicContact CZ-CD1 4.28Å; F361-L374 PolarHBondContact O-N 3.39Å; R363-L374 HydrophobicContact CB-CD1 3.84Å; R363-L374 HydrophobicContact CB-CD2 4.34Å; R363-L374 HydrophobicContact CB-CG 4.06Å; M372-L374 HydrophobicContact CG-CD2 4.25Å; M372-L374 PolarHBondContact O-N 3.4Å; M372-L374 HydrophobicContact SD-CD2 4.17Å; L374-F431 HydrophobicContact CD1-CE1 4.38Å; L374-F431 HydrophobicContact CD1-CZ 4.29Å
375	S	98.2	Very high	97.9	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.049	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	132.5	179.1	175.5	0	0	0	0	110.3	D360 F361 L373 D377 T378 D381	D360-S375 WeakPolarHBondContact CA-O 3.16Å; F361-S375 PolarHBondContact N-O 3.15Å; F361-S375 PolarHBondContact O-N 3Å; L373-S375 WeakPolarHBondContact CD1-O 3.47Å; S375-D377 VanDerWaalsContact C-N 3.33Å; S375-D377 PolarHBondContact OG-N 2.88Å; S375-D377 VanDerWaalsContact OG-N 3.15Å; S375-D377 PolarHBondContact OG-O 3.43Å; S375-T378 PolarHBondContact OG-N 3.38Å; S375-D381 WeakPolarHBondContact CB-OD2 3.29Å; S375-D381 PolarHBondContact OG-OD2 2.77Å
376	E	97.6	Very high	97.9	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	30%	0.304	S	S	*	.	S	Bend	trans	-70.7	-31	169.3	-77.1	-167.5	-170.7	0	0	112.5	K358 L373	K358-E376 WeakPolarHBondContact CB-O 3.34Å; K358-E376 IonicContact NZ-OE2 2.79Å; K358-E376 PolarHBondContact NZ-OE2 3.22Å; L373-E376 HydrophobicContact CD2-CG 3.92Å
377	D	97.8	Very high	97.9	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	30%	0.301	C	S	.	.			trans	-154.2	96.4	-178	-173.5	15.9	0	0	0	110.5	K358 S359 S375 A379 A380 D381	K358-D377 HydrophobicContact CB-CB 4.07Å; K358-D377 HydrophobicContact CD-CB 4.31Å; K358-D377 HydrophobicContact CG-CB 4.07Å; S359-D377 PolarHBondContact N-OD1 2.96Å; S359-D377 CarbonylContact O-C 3.6Å; S359-D377 VanDerWaalsContact O-CA 3.3Å; S359-D377 WeakPolarHBondContact O-CA 3.06Å; S375-D377 VanDerWaalsContact C-N 3.33Å; S375-D377 PolarHBondContact OG-N 2.88Å; S375-D377 VanDerWaalsContact OG-N 3.15Å; S375-D377 PolarHBondContact OG-O 3.43Å; D377-A379 PolarHBondContact O-N 2.98Å; D377-A379 PolarHBondContact OD1-N 3.29Å; D377-A380 HydrophobicContact CB-CB 4.25Å; D377-A380 WeakPolarHBondContact O-CB 3.27Å; D377-A380 PolarHBondContact O-N 2.87Å; D377-D381 PolarHBondContact O-N 3.47Å
378	T	98.4	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.3	-178.6	51.1	0	0	0	0	112.5	L343 S359 F361 S375 A380 D381 G382 G383 P384 W438	L343-T378 HydrophobicContact CD1-CG2 4.05Å; S359-T378 WeakPolarHBondContact CB-OG1 3.45Å; S359-T378 PolarHBondContact O-N 3.24Å; S359-T378 PolarHBondContact O-OG1 3.4Å; S359-T378 PolarHBondContact OG-OG1 3.11Å; F361-T378 HydrophobicContact CB-CG2 3.51Å; F361-T378 HydrophobicContact CD1-CG2 4.5Å; F361-T378 HydrophobicContact CG-CG2 4.19Å; S375-T378 PolarHBondContact OG-N 3.38Å; T378-A380 VanDerWaalsContact C-N 3.35Å; T378-D381 CarbonylContact O-C 3.56Å; T378-D381 PolarHBondContact O-N 3.36Å; T378-G382 PolarHBondContact O-N 3.5Å; T378-G383 CarbonylContact O-C 3.56Å; T378-G383 WeakPolarHBondContact O-CA 3.18Å; T378-G383 PolarHBondContact O-N 2.93Å; T378-P384 CarbonylContact C-O 3.55Å; T378-P384 PolarHBondContact OG1-O 2.88Å; T378-W438 HydrophobicContact CG2-CZ2 4Å
379	A	97.1	Very high	97.8	Very high	37 Å²	37	45.2 Å²	45.2	31%	0.306	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-37.7	175.9	0	0	0	0	0	112.8	D377 D381 G382 P384 K385	D377-A379 PolarHBondContact O-N 2.98Å; D377-A379 PolarHBondContact OD1-N 3.29Å; A379-D381 VanDerWaalsContact C-N 3.25Å; A379-D381 PolarHBondContact O-N 3.44Å; A379-G382 PolarHBondContact O-N 2.8Å; A379-P384 PolarHBondContact N-O 3.4Å; A379-K385 HydrophobicContact CB-CG 3.91Å
380	A	97.1	Very high	97.8	Very high	80 Å²	80	41.4 Å²	41.4	66%	0.661	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.5	176.3	0	0	0	0	0	111.7	D377 T378 G382	D377-A380 HydrophobicContact CB-CB 4.25Å; D377-A380 WeakPolarHBondContact O-CB 3.27Å; D377-A380 PolarHBondContact O-N 2.87Å; T378-A380 VanDerWaalsContact C-N 3.35Å; A380-G382 VanDerWaalsContact C-N 3.3Å; A380-G382 PolarHBondContact O-N 3.28Å
381	D	97.6	Very high	97.8	Very high	90 Å²	90	38.6 Å²	38.6	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	13.2	179.6	-59.3	-22.9	0	0	0	113.3	S375 D377 T378 A379 G383	S375-D381 WeakPolarHBondContact CB-OD2 3.29Å; S375-D381 PolarHBondContact OG-OD2 2.77Å; D377-D381 PolarHBondContact O-N 3.47Å; T378-D381 CarbonylContact O-C 3.56Å; T378-D381 PolarHBondContact O-N 3.36Å; A379-D381 VanDerWaalsContact C-N 3.25Å; A379-D381 PolarHBondContact O-N 3.44Å; D381-G383 VanDerWaalsContact C-N 3.32Å; D381-G383 PolarHBondContact O-N 2.95Å
382	G	97.3	Very high	97.8	Very high	44 Å²	44	38.1 Å²	38.1	45%	0.454	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	9.4	179.4	0	0	0	0	0	115.1	T378 A379 A380	T378-G382 PolarHBondContact O-N 3.5Å; A379-G382 PolarHBondContact O-N 2.8Å; A380-G382 VanDerWaalsContact C-N 3.3Å; A380-G382 PolarHBondContact O-N 3.28Å
383	G	98.3	Very high	97.8	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	20%	0.203	C	C	.	.	S	Bend	trans	-94.3	-166.7	174.8	0	0	0	0	0	114	T378 D381 W438	T378-G383 CarbonylContact O-C 3.56Å; T378-G383 WeakPolarHBondContact O-CA 3.18Å; T378-G383 PolarHBondContact O-N 2.93Å; D381-G383 VanDerWaalsContact C-N 3.32Å; D381-G383 PolarHBondContact O-N 2.95Å; G383-W438 VanDerWaalsContact CA-CB 3.45Å
384	P	98	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.1	152.4	-178.6	28.8	-35	0	0	0	111.9	L343 T378 A379 S426 F429 W438	L343-P384 HydrophobicContact CD2-CG 3.9Å; T378-P384 CarbonylContact C-O 3.55Å; T378-P384 PolarHBondContact OG1-O 2.88Å; A379-P384 PolarHBondContact N-O 3.4Å; P384-S426 WeakPolarHBondContact CB-OG 3.37Å; P384-F429 HydrophobicContact CB-CD2 4.02Å; P384-F429 HydrophobicContact CB-CE2 3.96Å; P384-F429 HydrophobicContact CB-CZ 4.45Å; P384-W438 HydrophobicContact CG-CH2 4.44Å; P384-W438 HydrophobicContact CG-CZ3 4.37Å
385	K	97.9	Very high	97.8	Very high	113 Å²	113	31 Å²	31	49%	0.491	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-69.5	173.1	165	-67	-178.7	-177.5	175.4	0	110.8	A379 V387 I408	A379-K385 HydrophobicContact CB-CG 3.91Å; K385-V387 VanDerWaalsContact O-CG1 3.28Å; K385-V387 WeakPolarHBondContact O-CG1 3.18Å; K385-V387 PolarHBondContact O-N 2.96Å; K385-V387 VanDerWaalsContact O-N 3.08Å; K385-I408 HydrophobicContact CB-CG1 4.48Å; K385-I408 HydrophobicContact CB-CG2 3.85Å; K385-I408 HydrophobicContact CD-CD1 4.44Å; K385-I408 HydrophobicContact CD-CG2 3.9Å
386	L	98.1	Very high	97.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	19%	0.19	C	C	.	.	S	Bend	trans	-63.5	116.5	178.3	-179.6	65	0	0	0	110.7	R345 L347 L357 L409	R345-L386 HydrophobicContact CG-CD1 3.63Å; R345-L386 HydrophobicContact CG-CD2 4.29Å; R345-L386 HydrophobicContact CG-CG 4.47Å; L347-L386 HydrophobicContact CD1-CD2 3.9Å; L357-L386 HydrophobicContact CD2-CD2 4.12Å; L357-L386 VanDerWaalsContact O-CB 3.24Å; L357-L386 WeakPolarHBondContact O-CB 2.9Å; L386-L409 HydrophobicContact CD2-CD1 3.77Å; L386-L409 HydrophobicContact CG-CD1 4.02Å; L386-L409 PolarHBondContact O-N 3.14Å
387	V	98.2	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.3	-173.3	-70	0	0	0	0	112	G344 R345 K385 H390 R407 I408	G344-V387 WeakPolarHBondContact CA-O 3.46Å; R345-V387 PolarHBondContact N-O 2.59Å; R345-V387 VanDerWaalsContact N-O 3.07Å; K385-V387 VanDerWaalsContact O-CG1 3.28Å; K385-V387 WeakPolarHBondContact O-CG1 3.18Å; K385-V387 PolarHBondContact O-N 2.96Å; K385-V387 VanDerWaalsContact O-N 3.08Å; V387-H390 HydrophobicContact CG2-CB 4.13Å; V387-R407 WeakPolarHBondContact CA-O 3.27Å; V387-I408 HydrophobicContact CG1-CG1 3.83Å
388	F	97.5	Very high	97.7	Very high	17 Å²	17	34.6 Å²	34.6	8%	0.075	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.6	170.5	71.6	-82.7	0	0	0	110.6	C328 Y346 H390 G406 R407 L409	C328-F388 HydrophobicContact CB-CB 3.99Å; C328-F388 HydrophobicContact CB-CD2 4.34Å; C328-F388 WeakPolarHBondContact O-CA 3.41Å; Y346-F388 HydrophobicContact CD2-CD1 4.04Å; Y346-F388 AromaticContact CD2-CD2 3.83Å; Y346-F388 HydrophobicContact CD2-CD2 3.83Å; Y346-F388 HydrophobicContact CD2-CE1 4.05Å; Y346-F388 AromaticContact CD2-CE2 3.85Å; Y346-F388 HydrophobicContact CD2-CE2 3.85Å; Y346-F388 AromaticContact CD2-CG 3.92Å; Y346-F388 HydrophobicContact CD2-CG 3.92Å; Y346-F388 AromaticContact CD2-CZ 3.94Å; Y346-F388 HydrophobicContact CD2-CZ 3.94Å; Y346-F388 HydrophobicContact CE2-CE1 4.4Å; Y346-F388 HydrophobicContact CE2-CE2 4.28Å; Y346-F388 HydrophobicContact CE2-CZ 4.11Å; F388-H390 PolarHBondContact O-N 3.11Å; F388-G406 CarbonylContact O-C 3.59Å; F388-G406 WeakPolarHBondContact O-CA 3.34Å; F388-R407 HydrophobicContact CD1-CB 4.23Å; F388-R407 WeakPolarHBondContact CD1-O 3.23Å; F388-R407 HydrophobicContact CE1-CB 3.62Å; F388-R407 HydrophobicContact CE1-CG 3.87Å; F388-R407 HydrophobicContact CZ-CB 3.83Å; F388-R407 HydrophobicContact CZ-CG 4.16Å; F388-R407 PolarHBondContact N-O 3.11Å; F388-R407 PolarHBondContact O-N 3.32Å; F388-L409 HydrophobicContact CD1-CD1 4.48Å; F388-L409 HydrophobicContact CD1-CD2 3.68Å; F388-L409 HydrophobicContact CD1-CG 3.94Å; F388-L409 HydrophobicContact CE1-CD2 3.53Å; F388-L409 HydrophobicContact CE1-CG 4.24Å
389	D	96.1	Very high	97.7	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	56.4	26.7	-175.7	-66.6	-36.2	0	0	0	114.2	C328 I457 G458	C328-D389 PolarHBondContact O-N 2.95Å; D389-I457 HydrophobicContact CB-CB 3.74Å; D389-I457 HydrophobicContact CB-CG2 3.98Å; D389-I457 WeakPolarHBondContact O-CA 3.18Å; D389-G458 PolarHBondContact O-N 2.88Å
390	H	97.7	Very high	97.8	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	20%	0.199	C	C	.	.			trans	-82.5	172.7	169.3	68.2	-72	0	0	0	110.8	L343 V387 F388 G405	L343-H390 PolarHBondContact O-CE1 3.27Å; V387-H390 HydrophobicContact CG2-CB 4.13Å; F388-H390 PolarHBondContact O-N 3.11Å; H390-G405 VanDerWaalsContact CB-O 3.25Å; H390-G405 WeakPolarHBondContact CB-O 3.31Å
391	Q	97.8	Very high	97.8	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	157.7	169.4	-62.1	-63.4	-36.1	0	0	111.9	T403 F404 H459 M461	Q391-T403 WeakPolarHBondContact O-CA 3.1Å; Q391-F404 PolarHBondContact N-O 2.95Å; Q391-F404 PolarHBondContact O-N 2.81Å; Q391-H459 VanDerWaalsContact CD-O 3.3Å; Q391-H459 WeakPolarHBondContact CG-NE2 3.44Å; Q391-H459 VanDerWaalsContact CG-O 3.26Å; Q391-H459 WeakPolarHBondContact CG-O 3.38Å; Q391-H459 PolarHBondContact NE2-O 2.97Å; Q391-M461 HydrophobicContact CB-CB 3.43Å; Q391-M461 VanDerWaalsContact CB-CB 3.43Å; Q391-M461 HydrophobicContact CB-CE 3.86Å; Q391-M461 HydrophobicContact CB-CG 4.41Å; Q391-M461 HydrophobicContact CB-SD 4.31Å; Q391-M461 HydrophobicContact CG-CB 3.83Å; Q391-M461 WeakPolarHBondContact O-CE 3.31Å
392	M	98.4	Very high	97.9	Very high	7 Å²	7	28 Å²	28	3%	0.034	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.7	177.1	-61.4	177.1	69.9	0	0	108.5	K330 C332 L343 F361 I401 Y402 T403	K330-M392 HydrophobicContact CB-CB 4.29Å; K330-M392 HydrophobicContact CB-CG 3.76Å; K330-M392 HydrophobicContact CB-SD 3.78Å; K330-M392 HydrophobicContact CG-CB 3.66Å; K330-M392 HydrophobicContact CG-CG 3.7Å; K330-M392 HydrophobicContact CG-SD 4.12Å; C332-M392 HydrophobicContact CB-CB 4.35Å; L343-M392 HydrophobicContact CB-CE 3.94Å; L343-M392 HydrophobicContact CB-SD 3.53Å; L343-M392 VanDerWaalsContact CB-SD 3.53Å; L343-M392 HydrophobicContact CD2-SD 4.43Å; F361-M392 HydrophobicContact CE2-CE 4.07Å; M392-I401 HydrophobicContact CE-CG2 3.61Å; M392-Y402 CarbonylContact C-O 3.57Å; M392-Y402 VanDerWaalsContact CA-O 3.22Å; M392-Y402 WeakPolarHBondContact CA-O 3.2Å; M392-T403 HydrophobicContact CE-CG2 4.17Å; M392-T403 HydrophobicContact CG-CG2 3.81Å
393	C	98	Very high	98	Very high	12 Å²	12	26 Å²	26	8%	0.081	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.4	172.6	-62.1	0	0	0	0	110.2	I401 Y402 M461 F463 L470	C393-I401 WeakPolarHBondContact O-CA 3.44Å; C393-Y402 PolarHBondContact N-O 2.92Å; C393-Y402 PolarHBondContact O-N 3.22Å; C393-M461 HydrophobicContact CB-CE 4.09Å; C393-M461 VanDerWaalsContact SG-C 3.51Å; C393-M461 VanDerWaalsContact SG-CE 3.55Å; C393-M461 PolarHBondContact SG-O 2.9Å; C393-F463 HydrophobicContact CB-CB 3.75Å; C393-L470 HydrophobicContact CB-CD2 4.12Å
394	M	98.3	Very high	97.9	Very high	23 Å²	23	25.7 Å²	25.7	11%	0.113	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.1	179.1	-174.1	76.3	-159.9	0	0	110.2	C332 I333 D334 H399 I401	C332-M394 HydrophobicContact CB-CB 4.16Å; I333-M394 WeakPolarHBondContact O-CB 3.33Å; I333-M394 VanDerWaalsContact O-CG 3.28Å; I333-M394 WeakPolarHBondContact O-CG 3.34Å; D334-M394 HydrophobicContact CB-CE 3.5Å; D334-M394 VanDerWaalsContact CB-CE 3.5Å; D334-M394 HydrophobicContact CB-CG 4.22Å; D334-M394 HydrophobicContact CB-SD 3.94Å; D334-M394 VanDerWaalsContact CG-CE 3.42Å; D334-M394 WeakPolarHBondContact OD2-CE 3.28Å; M394-H399 HydrophobicContact CE-CB 4.35Å; M394-I401 HydrophobicContact SD-CD1 4.31Å; M394-I401 HydrophobicContact SD-CG1 3.49Å; M394-I401 WeakPolarHBondContact SD-CG1 3.48Å
395	D	98.3	Very high	97.9	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	92.9	159.1	177.5	-6.3	0	0	0	107.4	E397 K398 H399 M400 Y402 F463 R468	D395-E397 PolarHBondContact O-N 2.87Å; D395-E397 PolarHBondContact OD1-N 3.16Å; D395-K398 PolarHBondContact OD1-N 3.31Å; D395-K398 WeakPolarHBondContact OD2-CB 3.39Å; D395-H399 VanDerWaalsContact O-CA 3.27Å; D395-H399 WeakPolarHBondContact O-CA 3.14Å; D395-H399 PolarHBondContact O-N 3.44Å; D395-M400 HydrophobicContact CB-CB 4.17Å; D395-M400 PolarHBondContact N-O 3.42Å; D395-M400 PolarHBondContact O-N 2.9Å; D395-Y402 HydrophobicContact CB-CE2 3.97Å; D395-F463 HydrophobicContact CB-CD1 4.06Å; D395-F463 HydrophobicContact CB-CE1 3.49Å; D395-F463 VanDerWaalsContact CB-CE1 3.49Å; D395-F463 HydrophobicContact CB-CZ 3.76Å; D395-R468 IonicContact OD1-NH1 2.78Å; D395-R468 IonicContact OD2-CZ 3.34Å; D395-R468 IonicContact OD2-NH1 3.66Å; D395-R468 PolarHBondContact OD2-NH1 3.02Å; D395-R468 IonicContact OD2-NH2 3.66Å; D395-R468 PolarHBondContact OD2-NH2 2.86Å; D395-R468 VanDerWaalsContact OD2-NH2 3.09Å
396	S	97.2	Very high	97.8	Very high	23 Å²	23	20.4 Å²	20.4	16%	0.161	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20	-176.5	-61.3	0	0	0	0	112.9	I335 Q336 H399	I335-S396 PolarHBondContact N-OG 2.97Å; Q336-S396 PolarHBondContact OE1-O 3.28Å; Q336-S396 VanDerWaalsContact OE1-O 3.1Å; S396-H399 PolarHBondContact O-CE1 3.32Å; S396-H399 VanDerWaalsContact O-CE1 3.23Å; S396-H399 PolarHBondContact O-ND1 2.81Å
397	E	97	Very high	97.7	Very high	129 Å²	129	25.1 Å²	25.1	60%	0.603	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-44.3	178.8	-174.3	-174.2	171.4	0	0	111.2	D395	D395-E397 PolarHBondContact O-N 2.87Å; D395-E397 PolarHBondContact OD1-N 3.16Å
398	K	97.5	Very high	97.6	Very high	93 Å²	93	26 Å²	26	40%	0.404	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.4	176.7	-61.9	-162.8	-175.6	168.8	0	113.9	D395 M400 R468 D491	D395-K398 PolarHBondContact OD1-N 3.31Å; D395-K398 WeakPolarHBondContact OD2-CB 3.39Å; K398-M400 VanDerWaalsContact C-N 3.31Å; K398-M400 HydrophobicContact CB-CG 3.94Å; K398-M400 PolarHBondContact O-N 2.7Å; K398-R468 VanDerWaalsContact CD-NH2 3.33Å; K398-R468 VanDerWaalsContact CE-NH2 3.29Å; K398-D491 IonicContact NZ-OD1 3.79Å; K398-D491 PolarHBondContact NZ-OD1 3.42Å; K398-D491 IonicContact NZ-OD2 2.73Å; K398-D491 PolarHBondContact NZ-OD2 3.36Å
399	H	98.2	Very high	97.5	Very high	27 Å²	27	25.7 Å²	25.7	13%	0.125	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	47.8	-172.6	-50.9	-62.5	0	0	0	112.9	D334 R337 M394 D395 S396 C433 Q434	D334-H399 IonicContact OD1-ND1 3.46Å; D334-H399 IonicContact OD2-CE1 2.65Å; D334-H399 IonicContact OD2-CG 3.38Å; D334-H399 IonicContact OD2-ND1 2.61Å; D334-H399 PolarHBondContact OD2-ND1 2.89Å; R337-H399 VanDerWaalsContact CD-ND1 3.31Å; R337-H399 WeakPolarHBondContact CD-ND1 3.23Å; M394-H399 HydrophobicContact CE-CB 4.35Å; D395-H399 VanDerWaalsContact O-CA 3.27Å; D395-H399 WeakPolarHBondContact O-CA 3.14Å; D395-H399 PolarHBondContact O-N 3.44Å; S396-H399 PolarHBondContact O-CE1 3.32Å; S396-H399 VanDerWaalsContact O-CE1 3.23Å; S396-H399 PolarHBondContact O-ND1 2.81Å; H399-C433 HydrophobicContact CB-CB 4.11Å; H399-C433 VanDerWaalsContact O-CB 3.22Å; H399-C433 WeakPolarHBondContact O-CB 3.32Å; H399-C433 PolarHBondContact O-N 3.25Å; H399-C433 PolarHBondContact O-SG 3.41Å; H399-C433 VanDerWaalsContact O-SG 3.33Å; H399-Q434 HydrophobicContact CB-CG 4.44Å; H399-Q434 PolarHBondContact CD2-NE2 3.37Å
400	M	98.6	Very high	97.3	Very high	31 Å²	31	27.8 Å²	27.8	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139	179.5	-64.3	-66.2	-59.2	0	0	110.8	D395 K398 Y402 A430 F431 N432	D395-M400 HydrophobicContact CB-CB 4.17Å; D395-M400 PolarHBondContact N-O 3.42Å; D395-M400 PolarHBondContact O-N 2.9Å; K398-M400 VanDerWaalsContact C-N 3.31Å; K398-M400 HydrophobicContact CB-CG 3.94Å; K398-M400 PolarHBondContact O-N 2.7Å; M400-Y402 HydrophobicContact CB-CE2 4.13Å; M400-A430 HydrophobicContact CE-CB 3.78Å; M400-F431 WeakPolarHBondContact CA-O 3.29Å; M400-N432 HydrophobicContact CE-CB 4.1Å; M400-N432 VanDerWaalsContact SD-CA 3.52Å; M400-N432 HydrophobicContact SD-CB 3.6Å; M400-N432 VanDerWaalsContact SD-CB 3.6Å
401	I	98.8	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.3	171.7	-62.1	167.9	0	0	0	108.4	Y341 F361 M392 C393 M394 T403 A430 F431	Y341-I401 HydrophobicContact CD1-CD1 3.6Å; Y341-I401 HydrophobicContact CD2-CD1 3.67Å; Y341-I401 HydrophobicContact CE1-CD1 4.03Å; Y341-I401 HydrophobicContact CE2-CD1 4.12Å; Y341-I401 HydrophobicContact CG-CD1 3.39Å; F361-I401 HydrophobicContact CZ-CD1 3.94Å; M392-I401 HydrophobicContact CE-CG2 3.61Å; C393-I401 WeakPolarHBondContact O-CA 3.44Å; M394-I401 HydrophobicContact SD-CD1 4.31Å; M394-I401 HydrophobicContact SD-CG1 3.49Å; M394-I401 WeakPolarHBondContact SD-CG1 3.48Å; I401-T403 HydrophobicContact CG2-CG2 3.88Å; I401-A430 CarbonylContact O-C 3.5Å; I401-A430 VanDerWaalsContact O-CA 3.28Å; I401-A430 WeakPolarHBondContact O-CA 3.43Å; I401-F431 HydrophobicContact CB-CB 4.24Å; I401-F431 HydrophobicContact CD1-CD1 4.05Å; I401-F431 PolarHBondContact N-O 2.97Å; I401-F431 PolarHBondContact O-N 3.49Å
402	Y	98.8	Very high	95.3	Very high	10 Å²	10	34.2 Å²	34.2	4%	0.039	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	172.3	-58.3	-79	0	0	0	109.7	M392 C393 D395 M400 F429 A430 L441 M461 F463 L470 V490	M392-Y402 CarbonylContact C-O 3.57Å; M392-Y402 VanDerWaalsContact CA-O 3.22Å; M392-Y402 WeakPolarHBondContact CA-O 3.2Å; C393-Y402 PolarHBondContact N-O 2.92Å; C393-Y402 PolarHBondContact O-N 3.22Å; D395-Y402 HydrophobicContact CB-CE2 3.97Å; M400-Y402 HydrophobicContact CB-CE2 4.13Å; Y402-F429 CarbonylContact C-O 3.44Å; Y402-F429 WeakPolarHBondContact CA-O 3.34Å; Y402-A430 HydrophobicContact CD1-CB 3.9Å; Y402-A430 HydrophobicContact CE1-CB 3.87Å; Y402-L441 HydrophobicContact CD1-CD1 4.09Å; Y402-L441 HydrophobicContact CE1-CD1 4.12Å; Y402-M461 VanDerWaalsContact O-CE 3.3Å; Y402-M461 WeakPolarHBondContact O-CE 3.33Å; Y402-F463 HydrophobicContact CE2-CD2 4.4Å; Y402-F463 HydrophobicContact CE2-CE2 4.23Å; Y402-L470 HydrophobicContact CD1-CD1 4.33Å; Y402-L470 HydrophobicContact CD2-CD2 4.13Å; Y402-L470 HydrophobicContact CG-CD1 4.02Å; Y402-L470 HydrophobicContact CG-CD2 4.21Å; Y402-V490 HydrophobicContact CD1-CG1 4.41Å; Y402-V490 HydrophobicContact CE1-CB 3.97Å; Y402-V490 HydrophobicContact CE1-CG1 3.97Å; Y402-V490 HydrophobicContact CE2-CB 4.45Å; Y402-V490 HydrophobicContact CE2-CG1 4.08Å; Y402-V490 HydrophobicContact CE2-CG2 4.5Å; Y402-V490 WeakPolarHBondContact OH-CG2 3.43Å
403	T	98.6	Very high	93.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	179	73.3	0	0	0	0	110.1	L343 Q391 M392 I401 L428 F429 W438	L343-T403 HydrophobicContact CD2-CG2 4.05Å; Q391-T403 WeakPolarHBondContact O-CA 3.1Å; M392-T403 HydrophobicContact CE-CG2 4.17Å; M392-T403 HydrophobicContact CG-CG2 3.81Å; I401-T403 HydrophobicContact CG2-CG2 3.88Å; T403-L428 CarbonylContact O-C 3.57Å; T403-L428 WeakPolarHBondContact O-CA 3.38Å; T403-F429 PolarHBondContact N-O 3.14Å; T403-F429 PolarHBondContact O-N 3.27Å; T403-W438 HydrophobicContact CG2-CH2 3.88Å; T403-W438 HydrophobicContact CG2-CZ3 3.86Å
404	F	98	Very high	91.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.8	-176	-177.1	-120	0	0	0	113.1	Q391 L428 I453 Q454 H459 M461 V472 F486	Q391-F404 PolarHBondContact N-O 2.95Å; Q391-F404 PolarHBondContact O-N 2.81Å; F404-L428 HydrophobicContact CB-CD1 3.91Å; F404-L428 HydrophobicContact CD2-CB 3.76Å; F404-L428 HydrophobicContact CD2-CD1 4.38Å; F404-L428 HydrophobicContact CE2-CB 4.39Å; F404-L428 HydrophobicContact CG-CD1 4.43Å; F404-I453 HydrophobicContact CD2-CD1 4Å; F404-I453 HydrophobicContact CE2-CB 4.36Å; F404-I453 HydrophobicContact CE2-CD1 3.43Å; F404-I453 VanDerWaalsContact CE2-CD1 3.43Å; F404-I453 HydrophobicContact CE2-CG1 3.87Å; F404-I453 HydrophobicContact CZ-CB 4.15Å; F404-I453 HydrophobicContact CZ-CD1 4.02Å; F404-I453 HydrophobicContact CZ-CG1 4.17Å; F404-Q454 VanDerWaalsContact CZ-O 3.32Å; F404-Q454 WeakPolarHBondContact CZ-O 3.38Å; F404-H459 AromaticContact CD1-NE2 3.51Å; F404-H459 PolarHBondContact O-CE1 3.47Å; F404-H459 VanDerWaalsContact O-CE1 3.3Å; F404-H459 PolarHBondContact O-NE2 3.2Å; F404-M461 HydrophobicContact CB-CE 4.36Å; F404-M461 HydrophobicContact CB-SD 3.48Å; F404-M461 WeakPolarHBondContact CB-SD 3.45Å; F404-M461 HydrophobicContact CG-SD 4.43Å; F404-V472 HydrophobicContact CD1-CG1 4.28Å; F404-V472 HydrophobicContact CD1-CG2 4.14Å; F404-V472 HydrophobicContact CE1-CG1 4.01Å; F404-V472 HydrophobicContact CE1-CG2 4.4Å; F404-F486 HydrophobicContact CE1-CZ 4.17Å; F404-F486 HydrophobicContact CZ-CZ 4.42Å
405	G	96.8	Very high	89.1	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.01	27%	0.266	C	S	.	.			trans	64.7	-153.8	174.5	0	0	0	0	0	112.4	H390 S426 R456	H390-G405 VanDerWaalsContact CB-O 3.25Å; H390-G405 WeakPolarHBondContact CB-O 3.31Å; G405-S426 VanDerWaalsContact CA-O 3.32Å; G405-S426 WeakPolarHBondContact CA-O 3.24Å; G405-S426 PolarHBondContact N-O 3.07Å; G405-S426 WeakPolarHBondContact O-CB 3.48Å; G405-R456 WeakPolarHBondContact CA-O 3.29Å
406	G	96.6	Very high	86.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.301	C	S	.	.			trans	87.2	150.1	-168.5	0	0	0	0	0	112.4	F388 F425 S426 R456	F388-G406 CarbonylContact O-C 3.59Å; F388-G406 WeakPolarHBondContact O-CA 3.34Å; G406-F425 VanDerWaalsContact O-CA 3.26Å; G406-F425 WeakPolarHBondContact O-CA 3.49Å; G406-S426 PolarHBondContact O-N 2.81Å; G406-R456 PolarHBondContact N-O 3.17Å
407	R	95.8	Very high	84.3	Confident	101 Å²	101	57.7 Å²	57.7	38%	0.381	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.3	176.5	179.7	175.9	178.7	177.2	4.9	109.5	V387 F388 F425 I457	V387-R407 WeakPolarHBondContact CA-O 3.27Å; F388-R407 HydrophobicContact CD1-CB 4.23Å; F388-R407 WeakPolarHBondContact CD1-O 3.23Å; F388-R407 HydrophobicContact CE1-CB 3.62Å; F388-R407 HydrophobicContact CE1-CG 3.87Å; F388-R407 HydrophobicContact CZ-CB 3.83Å; F388-R407 HydrophobicContact CZ-CG 4.16Å; F388-R407 PolarHBondContact N-O 3.11Å; F388-R407 PolarHBondContact O-N 3.32Å; R407-F425 HydrophobicContact CB-CD1 4.44Å; R407-F425 HydrophobicContact CB-CE1 4.38Å; R407-I457 HydrophobicContact CB-CG2 3.8Å; R407-I457 VanDerWaalsContact N-CG2 3.34Å
408	I	96.4	Very high	81.9	Confident	20 Å²	20	57.3 Å²	57.3	10%	0.103	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.3	177	-61.5	173.1	0	0	0	108.9	K385 V387 Q424 F425	K385-I408 HydrophobicContact CB-CG1 4.48Å; K385-I408 HydrophobicContact CB-CG2 3.85Å; K385-I408 HydrophobicContact CD-CD1 4.44Å; K385-I408 HydrophobicContact CD-CG2 3.9Å; V387-I408 HydrophobicContact CG1-CG1 3.83Å; I408-Q424 HydrophobicContact CB-CB 4.19Å; I408-Q424 HydrophobicContact CD1-CB 4.19Å; I408-Q424 PolarHBondContact N-O 3.31Å; I408-F425 WeakPolarHBondContact CD1-O 3.22Å
409	L	94.9	Very high	79.6	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.058	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-82.1	134.9	173.9	-66.3	178.1	0	0	0	110.9	R345 L347 L357 L386 F388	R345-L409 WeakPolarHBondContact O-CD1 3.34Å; L347-L409 HydrophobicContact CB-CD1 4.01Å; L347-L409 HydrophobicContact CD1-CD1 4.45Å; L347-L409 HydrophobicContact CG-CD1 4.23Å; L357-L409 HydrophobicContact CD2-CB 3.61Å; L357-L409 HydrophobicContact CD2-CD1 4.5Å; L386-L409 HydrophobicContact CD2-CD1 3.77Å; L386-L409 HydrophobicContact CG-CD1 4.02Å; L386-L409 PolarHBondContact O-N 3.14Å; F388-L409 HydrophobicContact CD1-CD1 4.48Å; F388-L409 HydrophobicContact CD1-CD2 3.68Å; F388-L409 HydrophobicContact CD1-CG 3.94Å; F388-L409 HydrophobicContact CE1-CD2 3.53Å; F388-L409 HydrophobicContact CE1-CG 4.24Å
410	T	90.8	Very high	77.6	Confident	72 Å²	72	66.6 Å²	66.6	44%	0.442	39%	0.388	S	S	.	.			trans	-122.1	154.1	-179.1	55.8	0	0	0	0	111.8	R352 L357	R352-T410 WeakPolarHBondContact CD-O 2.72Å; L357-T410 VanDerWaalsContact CD1-C 3.47Å
411	C	83.7	Confident	76.1	Confident	48 Å²	48	69.3 Å²	69.3	32%	0.324	41%	0.41	S	S	.	.			trans	-68.6	145.1	176.4	-81.5	0	0	0	0	111.2	N353 L357 G413	N353-C411 VanDerWaalsContact C-SG 3.53Å; L357-C411 HydrophobicContact CD1-CB 4.17Å; L357-C411 VanDerWaalsContact CD1-N 3.3Å; L357-C411 WeakPolarHBondContact CD1-SG 3.31Å; C411-G413 PolarHBondContact O-N 3.24Å
412	N	69.8	Low	75.2	Confident	103 Å²	103	77 Å²	77	55%	0.551	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	123.6	166.2	-72.6	9.9	0	0	0	109	S349	S349-N412 PolarHBondContact O-ND2 3.13Å; S349-N412 VanDerWaalsContact OG-CG 3.29Å; S349-N412 PolarHBondContact OG-ND2 3.01Å; S349-N412 PolarHBondContact OG-OD1 3.26Å
413	G	60.8	Low	74.7	Confident	68 Å²	68	78.4 Å²	78.4	70%	0.701	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	28	173.1	0	0	0	0	0	116.3	C411 V415	C411-G413 PolarHBondContact O-N 3.24Å; G413-V415 PolarHBondContact O-N 3.09Å; G413-V415 VanDerWaalsContact O-N 3.11Å
414	S	54.1	Low	74.4	Confident	85 Å²	85	82.7 Å²	82.7	59%	0.594	48%	0.476	S	S	*	.			trans	-54.4	121.7	158.1	58.8	0	0	0	0	107.9	D416	S414-D416 PolarHBondContact O-N 2.88Å
415	V	50.2	Low	74.3	Confident	146 Å²	146	83.2 Å²	83.2	89%	0.885	48%	0.478	S	S	*	.	S	Bend	trans	-64.5	-10.1	-170.6	-177.9	0	0	0	0	112.5	G413 D417	G413-V415 PolarHBondContact O-N 3.09Å; G413-V415 VanDerWaalsContact O-N 3.11Å; V415-D417 PolarHBondContact O-N 3.49Å
416	D	50.9	Low	74.3	Confident	143 Å²	143	83.4 Å²	83.4	77%	0.765	48%	0.48	S	S	*	.	S	Bend	trans	-88.1	106.5	169.8	-73.4	-36.6	0	0	0	112.4	S414	S414-D416 PolarHBondContact O-N 2.88Å
417	D	43.5	Very low	74.3	Confident	119 Å²	119	83.7 Å²	83.7	64%	0.636	48%	0.483	S	S	*	.			trans	97.8	97.1	145.6	-124.9	-18.4	0	0	0	119.8	V415 R419	V415-D417 PolarHBondContact O-N 3.49Å; D417-R419 PolarHBondContact O-N 3.26Å
418	S	47.3	Very low	74.4	Confident	120 Å²	120	79 Å²	79	84%	0.839	47%	0.465	S	S	*	.	S	Bend	trans	-52.9	24.9	161.2	42.9	0	0	0	0	117
419	R	48.8	Very low	74.5	Confident	215 Å²	215	79.1 Å²	79.1	81%	0.811	47%	0.465	S	S	*	.	S	Bend	trans	-147.3	96	168.9	-68.7	-174.3	-179.4	172.4	1.3	109.1	D417 S421	D417-R419 PolarHBondContact O-N 3.26Å; R419-S421 PolarHBondContact O-N 3.37Å
420	A	56	Low	74.7	Confident	101 Å²	101	78.8 Å²	78.8	84%	0.835	46%	0.464	S	S	*	.			trans	8.8	81.1	170.8	0	0	0	0	0	115.4	E422	A420-E422 PolarHBondContact O-N 2.9Å
421	S	66.8	Low	75	Confident	88 Å²	88	75.6 Å²	75.6	62%	0.615	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-46.7	125.9	172.4	179.2	0	0	0	0	110	R419	R419-S421 PolarHBondContact O-N 3.37Å
422	E	80.3	Confident	75.7	Confident	162 Å²	162	75.2 Å²	75.2	76%	0.757	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.1	179.9	-69.9	-167.2	154.1	0	0	110.6	A420 Q424	A420-E422 PolarHBondContact O-N 2.9Å; E422-Q424 PolarHBondContact O-N 2.84Å
423	P	88.3	Confident	77.1	Confident	38 Å²	38	70.5 Å²	70.5	25%	0.247	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-53.7	128.5	175.4	-25.5	34.6	0	0	0	112.2	F425	P423-F425 HydrophobicContact CB-CE2 3.88Å; P423-F425 HydrophobicContact CB-CZ 4.03Å; P423-F425 VanDerWaalsContact O-CD2 3.31Å; P423-F425 WeakPolarHBondContact O-CD2 3.3Å; P423-F425 WeakPolarHBondContact O-CE2 3.25Å
424	Q	92.5	Very high	78.7	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-88.9	147.3	172.8	-65.4	-178	-12.7	0	0	111.2	I408 E422	I408-Q424 HydrophobicContact CB-CB 4.19Å; I408-Q424 HydrophobicContact CD1-CB 4.19Å; I408-Q424 PolarHBondContact N-O 3.31Å; E422-Q424 PolarHBondContact O-N 2.84Å
425	F	95.5	Very high	80.7	Confident	12 Å²	12	73.2 Å²	73.2	5%	0.053	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-128.6	151.6	-178.3	-60.6	-96.2	0	0	0	111.3	G406 R407 I408 P423 S455 I457 R477	G406-F425 VanDerWaalsContact O-CA 3.26Å; G406-F425 WeakPolarHBondContact O-CA 3.49Å; R407-F425 HydrophobicContact CB-CD1 4.44Å; R407-F425 HydrophobicContact CB-CE1 4.38Å; I408-F425 WeakPolarHBondContact CD1-O 3.22Å; P423-F425 HydrophobicContact CB-CE2 3.88Å; P423-F425 HydrophobicContact CB-CZ 4.03Å; P423-F425 VanDerWaalsContact O-CD2 3.31Å; P423-F425 WeakPolarHBondContact O-CD2 3.3Å; P423-F425 WeakPolarHBondContact O-CE2 3.25Å; F425-S455 VanDerWaalsContact CB-CB 3.44Å; F425-I457 HydrophobicContact CD1-CG2 4.24Å; F425-I457 HydrophobicContact CE1-CG2 4Å; F425-R477 HydrophobicContact CD2-CG 4.47Å; F425-R477 HydrophobicContact CE1-CG 4.44Å; F425-R477 HydrophobicContact CE2-CG 3.81Å; F425-R477 HydrophobicContact CZ-CG 3.81Å
426	S	96.9	Very high	83	Confident	5 Å²	5	71 Å²	71	4%	0.035	39%	0.386	C	S	.	.			trans	-79.8	143.2	178.8	-156.2	0	0	0	0	112	P384 G405 G406 F429 S455	P384-S426 WeakPolarHBondContact CB-OG 3.37Å; G405-S426 VanDerWaalsContact CA-O 3.32Å; G405-S426 WeakPolarHBondContact CA-O 3.24Å; G405-S426 PolarHBondContact N-O 3.07Å; G405-S426 WeakPolarHBondContact O-CB 3.48Å; G406-S426 PolarHBondContact O-N 2.81Å; S426-F429 WeakPolarHBondContact OG-CE2 3.46Å; S426-S455 WeakPolarHBondContact O-CB 3.24Å; S426-S455 PolarHBondContact O-OG 2.7Å
427	G	96.6	Very high	85.2	Confident	6 Å²	6	67.7 Å²	67.7	6%	0.062	37%	0.371	C	S	.	.			trans	-72.4	-169.5	169.6	0	0	0	0	0	113.6	R442	G427-R442 CarbonylContact C-O 3.54Å; G427-R442 VanDerWaalsContact CA-O 3.23Å; G427-R442 WeakPolarHBondContact CA-O 3.2Å
428	L	98.1	Very high	87.8	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.2	171.9	177.4	66.6	0	0	0	109.8	T403 F404 L441 R442 I453 L470 Y488	T403-L428 CarbonylContact O-C 3.57Å; T403-L428 WeakPolarHBondContact O-CA 3.38Å; F404-L428 HydrophobicContact CB-CD1 3.91Å; F404-L428 HydrophobicContact CD2-CB 3.76Å; F404-L428 HydrophobicContact CD2-CD1 4.38Å; F404-L428 HydrophobicContact CE2-CB 4.39Å; F404-L428 HydrophobicContact CG-CD1 4.43Å; L428-L441 HydrophobicContact CB-CB 4.5Å; L428-L441 HydrophobicContact CD2-CB 4.1Å; L428-L441 HydrophobicContact CD2-CD1 4.08Å; L428-L441 HydrophobicContact CG-CB 4.1Å; L428-L441 HydrophobicContact CG-CD1 4.13Å; L428-L441 PolarHBondContact O-N 2.93Å; L428-R442 HydrophobicContact CB-CB 4.18Å; L428-R442 PolarHBondContact N-O 3.38Å; L428-R442 PolarHBondContact O-N 2.9Å; L428-I453 HydrophobicContact CB-CD1 3.65Å; L428-I453 HydrophobicContact CD2-CD1 4.02Å; L428-I453 HydrophobicContact CG-CD1 4.45Å; L428-L470 HydrophobicContact CD1-CD1 3.76Å; L428-L470 HydrophobicContact CD2-CD1 4.33Å; L428-Y488 HydrophobicContact CD2-CD1 3.78Å; L428-Y488 HydrophobicContact CD2-CD2 4.19Å; L428-Y488 HydrophobicContact CD2-CE1 3.52Å; L428-Y488 HydrophobicContact CD2-CE2 3.94Å; L428-Y488 HydrophobicContact CD2-CG 4.12Å
429	F	98.6	Very high	90.2	Very high	22 Å²	22	63.9 Å²	63.9	10%	0.096	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.8	175.3	-66.1	-101.7	0	0	0	110.8	P384 Y402 T403 S426 W438 K439 L440	P384-F429 HydrophobicContact CB-CD2 4.02Å; P384-F429 HydrophobicContact CB-CE2 3.96Å; P384-F429 HydrophobicContact CB-CZ 4.45Å; Y402-F429 CarbonylContact C-O 3.44Å; Y402-F429 WeakPolarHBondContact CA-O 3.34Å; T403-F429 PolarHBondContact N-O 3.14Å; T403-F429 PolarHBondContact O-N 3.27Å; S426-F429 WeakPolarHBondContact OG-CE2 3.46Å; F429-W438 HydrophobicContact CB-CE3 3.9Å; F429-W438 HydrophobicContact CB-CZ3 4.07Å; F429-K439 CarbonylContact C-O 3.56Å; F429-K439 WeakPolarHBondContact CA-O 3.27Å; F429-L440 HydrophobicContact CD1-CB 4Å; F429-L440 HydrophobicContact CD1-CD1 4.12Å; F429-L440 HydrophobicContact CD2-CD1 4.21Å; F429-L440 HydrophobicContact CE1-CB 3.8Å; F429-L440 HydrophobicContact CE1-CD1 3.76Å; F429-L440 HydrophobicContact CE1-CG 4.3Å; F429-L440 HydrophobicContact CE2-CD1 3.85Å; F429-L440 HydrophobicContact CG-CD1 4.34Å; F429-L440 HydrophobicContact CZ-CB 4.49Å; F429-L440 HydrophobicContact CZ-CD1 3.62Å
430	A	98.5	Very high	92.6	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.8	166.7	0	0	0	0	0	109.9	M400 I401 Y402 W438 K439 L441	M400-A430 HydrophobicContact CE-CB 3.78Å; I401-A430 CarbonylContact O-C 3.5Å; I401-A430 VanDerWaalsContact O-CA 3.28Å; I401-A430 WeakPolarHBondContact O-CA 3.43Å; Y402-A430 HydrophobicContact CD1-CB 3.9Å; Y402-A430 HydrophobicContact CE1-CB 3.87Å; A430-W438 CarbonylContact O-C 3.3Å; A430-W438 WeakPolarHBondContact O-CA 3.37Å; A430-K439 PolarHBondContact N-O 3.01Å; A430-K439 PolarHBondContact O-N 2.89Å; A430-L441 HydrophobicContact CB-CD1 3.87Å; A430-L441 HydrophobicContact CB-CD2 4.34Å; A430-L441 HydrophobicContact CB-CG 4.1Å
431	F	98.7	Very high	94.5	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.7	170.9	177.6	-102.2	0	0	0	109.6	Y341 F361 L374 M400 I401 C433 Q436 T437 W438	Y341-F431 HydrophobicContact CE1-CE1 4.47Å; F361-F431 HydrophobicContact CD1-CZ 4.42Å; F361-F431 AromaticContact CE1-CD1 3.89Å; F361-F431 HydrophobicContact CE1-CD1 3.89Å; F361-F431 HydrophobicContact CE1-CD2 4.33Å; F361-F431 AromaticContact CE1-CE1 3.65Å; F361-F431 HydrophobicContact CE1-CE1 3.65Å; F361-F431 HydrophobicContact CE1-CE2 4.11Å; F361-F431 HydrophobicContact CE1-CG 4.2Å; F361-F431 AromaticContact CE1-CZ 3.76Å; F361-F431 HydrophobicContact CE1-CZ 3.76Å; F361-F431 HydrophobicContact CZ-CD1 4.27Å; F361-F431 HydrophobicContact CZ-CE1 4.31Å; L374-F431 HydrophobicContact CD1-CE1 4.38Å; L374-F431 HydrophobicContact CD1-CZ 4.29Å; M400-F431 WeakPolarHBondContact CA-O 3.29Å; I401-F431 HydrophobicContact CB-CB 4.24Å; I401-F431 HydrophobicContact CD1-CD1 4.05Å; I401-F431 PolarHBondContact N-O 2.97Å; I401-F431 PolarHBondContact O-N 3.49Å; F431-C433 HydrophobicContact CE1-CB 4.4Å; F431-Q436 VanDerWaalsContact CE2-C 3.45Å; F431-Q436 HydrophobicContact CE2-CB 4.28Å; F431-Q436 HydrophobicContact CZ-CB 3.99Å; F431-Q436 HydrophobicContact CZ-CG 4.29Å; F431-T437 WeakPolarHBondContact CA-O 3.38Å; F431-W438 HydrophobicContact CB-CD2 3.86Å; F431-W438 HydrophobicContact CB-CE3 3.63Å; F431-W438 HydrophobicContact CB-CH2 3.71Å; F431-W438 HydrophobicContact CB-CZ2 3.95Å; F431-W438 HydrophobicContact CB-CZ3 3.56Å; F431-W438 AromaticContact CD2-CD1 3.79Å; F431-W438 AromaticContact CD2-CD2 3.69Å; F431-W438 HydrophobicContact CD2-CD2 3.69Å; F431-W438 AromaticContact CD2-CE2 3.44Å; F431-W438 VanDerWaalsContact CD2-CE2 3.44Å; F431-W438 HydrophobicContact CD2-CE3 4.36Å; F431-W438 AromaticContact CD2-CG 3.9Å; F431-W438 HydrophobicContact CD2-CG 3.9Å; F431-W438 AromaticContact CD2-CZ2 3.91Å; F431-W438 HydrophobicContact CD2-CZ2 3.91Å; F431-W438 AromaticContact CD2-NE1 3.5Å; F431-W438 AromaticContact CE2-NE1 3.84Å; F431-W438 HydrophobicContact CG-CD2 4.21Å; F431-W438 HydrophobicContact CG-CE3 4.45Å; F431-W438 HydrophobicContact CG-CH2 4.29Å; F431-W438 HydrophobicContact CG-CZ2 4.04Å
432	N	98.3	Very high	95.8	Very high	40 Å²	40	52 Å²	52	21%	0.214	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.3	173.8	-177.4	-48.3	0	0	0	109.8	M400 Q434 C435 Q436 T437	M400-N432 HydrophobicContact CE-CB 4.1Å; M400-N432 VanDerWaalsContact SD-CA 3.52Å; M400-N432 HydrophobicContact SD-CB 3.6Å; M400-N432 VanDerWaalsContact SD-CB 3.6Å; N432-Q434 VanDerWaalsContact C-N 3.25Å; N432-Q434 PolarHBondContact O-N 3.42Å; N432-Q434 WeakPolarHBondContact OD1-CA 3.37Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.44Å; N432-Q434 PolarHBondContact OD1-N 3.4Å; N432-C435 VanDerWaalsContact CB-SG 3.5Å; N432-C435 PolarHBondContact OD1-N 3.17Å; N432-C435 VanDerWaalsContact OD1-N 3.1Å; N432-C435 PolarHBondContact OD1-SG 2.89Å; N432-C435 VanDerWaalsContact OD1-SG 3.42Å; N432-Q436 VanDerWaalsContact O-CA 3.22Å; N432-Q436 WeakPolarHBondContact O-CA 3.45Å; N432-Q436 PolarHBondContact O-N 3.05Å; N432-T437 PolarHBondContact N-O 3.22Å
433	C	97.9	Very high	96.4	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.027	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.5	-175.3	-61.4	0	0	0	0	114.4	R337 H399 F431	R337-C433 PolarHBondContact NH1-O 3.4Å; H399-C433 HydrophobicContact CB-CB 4.11Å; H399-C433 VanDerWaalsContact O-CB 3.22Å; H399-C433 WeakPolarHBondContact O-CB 3.32Å; H399-C433 PolarHBondContact O-N 3.25Å; H399-C433 PolarHBondContact O-SG 3.41Å; H399-C433 VanDerWaalsContact O-SG 3.33Å; F431-C433 HydrophobicContact CE1-CB 4.4Å
434	Q	95.5	Very high	96.6	Very high	136 Å²	136	51 Å²	51	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-50.4	177.9	-66	179.8	-17.9	0	0	111	H399 N432	H399-Q434 HydrophobicContact CB-CG 4.44Å; H399-Q434 PolarHBondContact CD2-NE2 3.37Å; N432-Q434 VanDerWaalsContact C-N 3.25Å; N432-Q434 PolarHBondContact O-N 3.42Å; N432-Q434 WeakPolarHBondContact OD1-CA 3.37Å; N432-Q434 WeakPolarHBondContact OD1-CB 3.44Å; N432-Q434 PolarHBondContact OD1-N 3.4Å
435	C	96.3	Very high	96.1	Very high	74 Å²	74	47.4 Å²	47.4	50%	0.5	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.8	179.4	61.4	0	0	0	0	114.4	N432 T437	N432-C435 VanDerWaalsContact CB-SG 3.5Å; N432-C435 PolarHBondContact OD1-N 3.17Å; N432-C435 VanDerWaalsContact OD1-N 3.1Å; N432-C435 PolarHBondContact OD1-SG 2.89Å; N432-C435 VanDerWaalsContact OD1-SG 3.42Å; C435-T437 PolarHBondContact O-N 3.48Å; C435-T437 PolarHBondContact SG-OG1 3.38Å
436	Q	96.8	Very high	95.2	Very high	99 Å²	99	50.7 Å²	50.7	46%	0.463	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	43.8	178.5	-56.1	-173.6	17.1	0	0	114	F431 N432	F431-Q436 VanDerWaalsContact CE2-C 3.45Å; F431-Q436 HydrophobicContact CE2-CB 4.28Å; F431-Q436 HydrophobicContact CZ-CB 3.99Å; F431-Q436 HydrophobicContact CZ-CG 4.29Å; N432-Q436 VanDerWaalsContact O-CA 3.22Å; N432-Q436 WeakPolarHBondContact O-CA 3.45Å; N432-Q436 PolarHBondContact O-N 3.05Å
437	T	98.2	Very high	93.9	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.46	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.7	-179	57.4	0	0	0	0	111.6	F431 N432 C435	F431-T437 WeakPolarHBondContact CA-O 3.38Å; N432-T437 PolarHBondContact N-O 3.22Å; C435-T437 PolarHBondContact O-N 3.48Å; C435-T437 PolarHBondContact SG-OG1 3.38Å
438	W	98.6	Very high	92.2	Very high	23 Å²	23	59.2 Å²	59.2	9%	0.087	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.2	169.9	-69.9	97.9	0	0	0	111.8	L343 F361 T378 G383 P384 T403 F429 A430 F431	L343-W438 HydrophobicContact CD2-CH2 4.06Å; F361-W438 AromaticContact CD1-CZ2 3.93Å; F361-W438 HydrophobicContact CD1-CZ2 3.93Å; F361-W438 AromaticContact CE1-CZ2 3.87Å; F361-W438 HydrophobicContact CE1-CZ2 3.87Å; F361-W438 HydrophobicContact CG-CZ2 4.33Å; F361-W438 HydrophobicContact CZ-CZ2 4.22Å; T378-W438 HydrophobicContact CG2-CZ2 4Å; G383-W438 VanDerWaalsContact CA-CB 3.45Å; P384-W438 HydrophobicContact CG-CH2 4.44Å; P384-W438 HydrophobicContact CG-CZ3 4.37Å; T403-W438 HydrophobicContact CG2-CH2 3.88Å; T403-W438 HydrophobicContact CG2-CZ3 3.86Å; F429-W438 HydrophobicContact CB-CE3 3.9Å; F429-W438 HydrophobicContact CB-CZ3 4.07Å; A430-W438 CarbonylContact O-C 3.3Å; A430-W438 WeakPolarHBondContact O-CA 3.37Å; F431-W438 HydrophobicContact CB-CD2 3.86Å; F431-W438 HydrophobicContact CB-CE3 3.63Å; F431-W438 HydrophobicContact CB-CH2 3.71Å; F431-W438 HydrophobicContact CB-CZ2 3.95Å; F431-W438 HydrophobicContact CB-CZ3 3.56Å; F431-W438 AromaticContact CD2-CD1 3.79Å; F431-W438 AromaticContact CD2-CD2 3.69Å; F431-W438 HydrophobicContact CD2-CD2 3.69Å; F431-W438 AromaticContact CD2-CE2 3.44Å; F431-W438 VanDerWaalsContact CD2-CE2 3.44Å; F431-W438 HydrophobicContact CD2-CE3 4.36Å; F431-W438 AromaticContact CD2-CG 3.9Å; F431-W438 HydrophobicContact CD2-CG 3.9Å; F431-W438 AromaticContact CD2-CZ2 3.91Å; F431-W438 HydrophobicContact CD2-CZ2 3.91Å; F431-W438 AromaticContact CD2-NE1 3.5Å; F431-W438 AromaticContact CE2-NE1 3.84Å; F431-W438 HydrophobicContact CG-CD2 4.21Å; F431-W438 HydrophobicContact CG-CE3 4.45Å; F431-W438 HydrophobicContact CG-CH2 4.29Å; F431-W438 HydrophobicContact CG-CZ2 4.04Å
439	K	97.8	Very high	90.5	Very high	135 Å²	135	60.1 Å²	60.1	59%	0.587	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	126	170.6	-178.2	-176.6	175.6	-169.6	0	108.9	F429 A430 L441	F429-K439 CarbonylContact C-O 3.56Å; F429-K439 WeakPolarHBondContact CA-O 3.27Å; A430-K439 PolarHBondContact N-O 3.01Å; A430-K439 PolarHBondContact O-N 2.89Å; K439-L441 HydrophobicContact CD-CD2 3.9Å; K439-L441 HydrophobicContact CG-CD2 4.17Å
440	L	97.7	Very high	88.8	Confident	68 Å²	68	64.5 Å²	64.5	36%	0.356	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.8	166.6	177.5	62.8	0	0	0	109.1	F429 R442 E443	F429-L440 HydrophobicContact CD1-CB 4Å; F429-L440 HydrophobicContact CD1-CD1 4.12Å; F429-L440 HydrophobicContact CD2-CD1 4.21Å; F429-L440 HydrophobicContact CE1-CB 3.8Å; F429-L440 HydrophobicContact CE1-CD1 3.76Å; F429-L440 HydrophobicContact CE1-CG 4.3Å; F429-L440 HydrophobicContact CE2-CD1 3.85Å; F429-L440 HydrophobicContact CG-CD1 4.34Å; F429-L440 HydrophobicContact CZ-CB 4.49Å; F429-L440 HydrophobicContact CZ-CD1 3.62Å; L440-R442 WeakPolarHBondContact CD1-O 3.47Å; L440-E443 HydrophobicContact CD2-CG 3.82Å
441	L	96.7	Very high	87.4	Confident	37 Å²	37	69.7 Å²	69.7	19%	0.194	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-49.1	176.2	-60.4	-176.8	0	0	0	110.9	Y402 L428 A430 K439 Y488	Y402-L441 HydrophobicContact CD1-CD1 4.09Å; Y402-L441 HydrophobicContact CE1-CD1 4.12Å; L428-L441 HydrophobicContact CB-CB 4.5Å; L428-L441 HydrophobicContact CD2-CB 4.1Å; L428-L441 HydrophobicContact CD2-CD1 4.08Å; L428-L441 HydrophobicContact CG-CB 4.1Å; L428-L441 HydrophobicContact CG-CD1 4.13Å; L428-L441 PolarHBondContact O-N 2.93Å; A430-L441 HydrophobicContact CB-CD1 3.87Å; A430-L441 HydrophobicContact CB-CD2 4.34Å; A430-L441 HydrophobicContact CB-CG 4.1Å; K439-L441 HydrophobicContact CD-CD2 3.9Å; K439-L441 HydrophobicContact CG-CD2 4.17Å; L441-Y488 HydrophobicContact CD1-CE1 4.26Å
442	R	94.9	Very high	86.5	Confident	50 Å²	50	72.3 Å²	72.3	19%	0.189	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.8	-179.9	-64.4	-67.3	-173.4	131.9	1	110.8	G427 L428 L440 I453 Y488 D493	G427-R442 CarbonylContact C-O 3.54Å; G427-R442 VanDerWaalsContact CA-O 3.23Å; G427-R442 WeakPolarHBondContact CA-O 3.2Å; L428-R442 HydrophobicContact CB-CB 4.18Å; L428-R442 PolarHBondContact N-O 3.38Å; L428-R442 PolarHBondContact O-N 2.9Å; L440-R442 WeakPolarHBondContact CD1-O 3.47Å; R442-I453 HydrophobicContact CB-CD1 3.55Å; R442-I453 HydrophobicContact CB-CG1 3.86Å; R442-I453 HydrophobicContact CG-CD1 3.98Å; R442-I453 HydrophobicContact CG-CG1 4.34Å; R442-Y488 HydrophobicContact CG-CE2 4.15Å; R442-D493 IonicContact CZ-OD1 2.66Å; R442-D493 VanDerWaalsContact CZ-OD1 3.22Å; R442-D493 IonicContact CZ-OD2 2.69Å; R442-D493 IonicContact NE-OD1 3.53Å; R442-D493 PolarHBondContact NE-OD1 2.79Å; R442-D493 IonicContact NE-OD2 3.76Å; R442-D493 PolarHBondContact NH2-O 2.87Å; R442-D493 IonicContact NH2-OD1 3.74Å; R442-D493 PolarHBondContact NH2-OD1 3.21Å; R442-D493 IonicContact NH2-OD2 3.68Å; R442-D493 PolarHBondContact NH2-OD2 3.02Å
443	E	92.5	Very high	86	Confident	146 Å²	146	70.6 Å²	70.6	68%	0.682	39%	0.387	S	S	*	.			trans	-75.8	171	172.3	-70.6	-172.1	-169.2	0	0	112	L440 S445	L440-E443 HydrophobicContact CD2-CG 3.82Å; E443-S445 PolarHBondContact O-N 2.9Å
444	D	91.5	Very high	85.6	Confident	32 Å²	32	71.8 Å²	71.8	17%	0.171	39%	0.392	C	S	.	.			trans	-70.6	96.4	166.2	179.6	21.3	0	0	0	109.6	C446 S455 R477	D444-C446 PolarHBondContact O-N 3.08Å; D444-C446 PolarHBondContact OD1-N 2.79Å; D444-S455 WeakPolarHBondContact CB-OG 3.09Å; D444-S455 WeakPolarHBondContact OD1-CB 3.44Å; D444-S455 PolarHBondContact OD1-N 2.85Å; D444-R477 VanDerWaalsContact CG-NH1 3.28Å; D444-R477 IonicContact OD1-CZ 3.79Å; D444-R477 IonicContact OD1-NH1 2.72Å; D444-R477 PolarHBondContact OD1-NH1 2.82Å; D444-R477 IonicContact OD1-NH2 3.99Å; D444-R477 IonicContact OD2-CZ 2.88Å; D444-R477 IonicContact OD2-NH1 3.24Å; D444-R477 PolarHBondContact OD2-NH1 2.87Å; D444-R477 IonicContact OD2-NH2 3.34Å; D444-R477 PolarHBondContact OD2-NH2 2.82Å
445	S	82.4	Confident	85.6	Confident	20 Å²	20	65.3 Å²	65.3	14%	0.14	36%	0.362	C	S	.	.			trans	-60.5	-13.7	-178.6	63.1	0	0	0	0	115.3	E443 N447 A448 D452 I453	E443-S445 PolarHBondContact O-N 2.9Å; S445-N447 PolarHBondContact O-N 2.85Å; S445-N447 PolarHBondContact OG-N 3.23Å; S445-A448 VanDerWaalsContact O-CB 3.27Å; S445-A448 WeakPolarHBondContact O-CB 3.24Å; S445-A448 PolarHBondContact O-N 3.18Å; S445-A448 VanDerWaalsContact O-N 3.12Å; S445-D452 VanDerWaalsContact CB-CB 3.43Å; S445-I453 WeakPolarHBondContact CB-O 3.49Å; S445-I453 PolarHBondContact N-O 2.81Å; S445-I453 PolarHBondContact OG-O 2.89Å
446	C	77.4	Confident	85.5	Confident	80 Å²	80	61.9 Å²	61.9	54%	0.541	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	24.9	-169.8	-61.6	0	0	0	0	113.8	D444 R477	D444-C446 PolarHBondContact O-N 3.08Å; D444-C446 PolarHBondContact OD1-N 2.79Å; C446-R477 PolarHBondContact SG-NH2 3.11Å; C446-R477 VanDerWaalsContact SG-NH2 3.41Å
447	N	68.5	Low	85.3	Confident	108 Å²	108	58.2 Å²	58.2	58%	0.578	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	43.2	-176	-159	56.8	0	0	0	114	S445 G449	S445-N447 PolarHBondContact O-N 2.85Å; S445-N447 PolarHBondContact OG-N 3.23Å; N447-G449 VanDerWaalsContact C-N 3.34Å; N447-G449 PolarHBondContact O-N 2.91Å
448	A	61.9	Low	85	Confident	82 Å²	82	54.7 Å²	54.7	68%	0.678	30%	0.301	S	S	*	.			trans	-72.6	-17.1	-177.4	0	0	0	0	0	115.1	S445 D452	S445-A448 VanDerWaalsContact O-CB 3.27Å; S445-A448 WeakPolarHBondContact O-CB 3.24Å; S445-A448 PolarHBondContact O-N 3.18Å; S445-A448 VanDerWaalsContact O-N 3.12Å; A448-D452 WeakPolarHBondContact CB-OD2 3.32Å
449	G	62.2	Low	84.8	Confident	23 Å²	23	53.6 Å²	53.6	24%	0.237	30%	0.297	C	S	.	.	S	Bend	trans	-170.6	178.4	-176.5	0	0	0	0	0	114.8	N447 D452	N447-G449 VanDerWaalsContact C-N 3.34Å; N447-G449 PolarHBondContact O-N 2.91Å; G449-D452 PolarHBondContact N-OD2 3.38Å; G449-D452 WeakPolarHBondContact O-CB 3.08Å; G449-D452 PolarHBondContact O-N 3.43Å
450	P	61.8	Low	84.7	Confident	113 Å²	113	47.5 Å²	47.5	73%	0.734	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.4	-178.1	28.5	-33.8	0	0	0	114.1	D452	P450-D452 VanDerWaalsContact C-N 3.31Å
451	E	70.5	Confident	84.6	Confident	115 Å²	115	44.6 Å²	44.6	54%	0.537	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.8	176.5	-62	-169.5	162.5	0	0	112.8
452	D	79.1	Confident	84.7	Confident	58 Å²	58	43.7 Å²	43.7	31%	0.31	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-97.1	136.2	-174.1	-85.2	-35.9	0	0	0	111.6	S445 A448 G449 P450	S445-D452 VanDerWaalsContact CB-CB 3.43Å; A448-D452 WeakPolarHBondContact CB-OD2 3.32Å; G449-D452 PolarHBondContact N-OD2 3.38Å; G449-D452 WeakPolarHBondContact O-CB 3.08Å; G449-D452 PolarHBondContact O-N 3.43Å; P450-D452 VanDerWaalsContact C-N 3.31Å
453	I	87.8	Confident	84.8	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-93.1	124.7	174.4	66.4	177.1	0	0	0	110.1	F404 L428 R442 S445 F486 V495	F404-I453 HydrophobicContact CD2-CD1 4Å; F404-I453 HydrophobicContact CE2-CB 4.36Å; F404-I453 HydrophobicContact CE2-CD1 3.43Å; F404-I453 VanDerWaalsContact CE2-CD1 3.43Å; F404-I453 HydrophobicContact CE2-CG1 3.87Å; F404-I453 HydrophobicContact CZ-CB 4.15Å; F404-I453 HydrophobicContact CZ-CD1 4.02Å; F404-I453 HydrophobicContact CZ-CG1 4.17Å; L428-I453 HydrophobicContact CB-CD1 3.65Å; L428-I453 HydrophobicContact CD2-CD1 4.02Å; L428-I453 HydrophobicContact CG-CD1 4.45Å; R442-I453 HydrophobicContact CB-CD1 3.55Å; R442-I453 HydrophobicContact CB-CG1 3.86Å; R442-I453 HydrophobicContact CG-CD1 3.98Å; R442-I453 HydrophobicContact CG-CG1 4.34Å; S445-I453 WeakPolarHBondContact CB-O 3.49Å; S445-I453 PolarHBondContact N-O 2.81Å; S445-I453 PolarHBondContact OG-O 2.89Å; I453-F486 HydrophobicContact CB-CE2 4.13Å; I453-F486 HydrophobicContact CB-CZ 4.11Å; I453-F486 HydrophobicContact CG2-CD2 4.13Å; I453-F486 HydrophobicContact CG2-CE2 3.51Å; I453-F486 HydrophobicContact CG2-CZ 3.99Å; I453-V495 HydrophobicContact CG2-CG1 4.37Å; I453-V495 HydrophobicContact CG2-CG2 3.73Å
454	Q	89.8	Confident	85.1	Confident	29 Å²	29	35.3 Å²	35.3	14%	0.136	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-87.6	131	176.8	-180	-178.9	57.9	0	0	110.3	F404 R456	F404-Q454 VanDerWaalsContact CZ-O 3.32Å; F404-Q454 WeakPolarHBondContact CZ-O 3.38Å; Q454-R456 PolarHBondContact O-NE 3.48Å; Q454-R456 PolarHBondContact O-NH2 3.12Å
455	S	94.5	Very high	85.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-78.4	150.2	178.2	-63	0	0	0	0	112.6	F425 S426 D444 R477	F425-S455 VanDerWaalsContact CB-CB 3.44Å; S426-S455 WeakPolarHBondContact O-CB 3.24Å; S426-S455 PolarHBondContact O-OG 2.7Å; D444-S455 WeakPolarHBondContact CB-OG 3.09Å; D444-S455 WeakPolarHBondContact OD1-CB 3.44Å; D444-S455 PolarHBondContact OD1-N 2.85Å; S455-R477 PolarHBondContact O-NH1 2.83Å
456	R	94.2	Very high	86	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	24%	0.237	C	C	.	.			trans	-160.5	166.4	-168.3	65.8	-156	71	-161.9	3.7	112.4	G405 G406 Q454 H459 G474 L482 D484	G405-R456 WeakPolarHBondContact CA-O 3.29Å; G406-R456 PolarHBondContact N-O 3.17Å; Q454-R456 PolarHBondContact O-NE 3.48Å; Q454-R456 PolarHBondContact O-NH2 3.12Å; R456-H459 HydrophobicContact CG-CB 3.75Å; R456-H459 VanDerWaalsContact CG-ND1 3.34Å; R456-H459 WeakPolarHBondContact CG-ND1 3.44Å; R456-H459 PolarHBondContact O-CE1 3Å; R456-H459 PolarHBondContact O-ND1 3.38Å; R456-G474 VanDerWaalsContact CD-O 3.26Å; R456-G474 WeakPolarHBondContact CD-O 3.27Å; R456-L482 HydrophobicContact CB-CD1 3.72Å; R456-L482 HydrophobicContact CG-CD1 4.38Å; R456-D484 IonicContact CZ-OD1 3.34Å; R456-D484 IonicContact CZ-OD2 3.41Å; R456-D484 IonicContact NH1-OD1 3.15Å; R456-D484 PolarHBondContact NH1-OD1 3.45Å; R456-D484 IonicContact NH1-OD2 2.92Å; R456-D484 PolarHBondContact NH1-OD2 2.93Å; R456-D484 IonicContact NH2-OD2 2.83Å; R456-D484 PolarHBondContact NH2-OD2 3.21Å
457	I	94.5	Very high	86.9	Confident	22 Å²	22	39.9 Å²	39.9	11%	0.113	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-109.5	153.1	174.5	57.1	166.5	0	0	0	112.2	D389 R407 F425 H459 G475 Q476 F514	D389-I457 HydrophobicContact CB-CB 3.74Å; D389-I457 HydrophobicContact CB-CG2 3.98Å; D389-I457 WeakPolarHBondContact O-CA 3.18Å; R407-I457 HydrophobicContact CB-CG2 3.8Å; R407-I457 VanDerWaalsContact N-CG2 3.34Å; F425-I457 HydrophobicContact CD1-CG2 4.24Å; F425-I457 HydrophobicContact CE1-CG2 4Å; I457-H459 PolarHBondContact O-N 3.48Å; I457-H459 VanDerWaalsContact O-N 3.08Å; I457-G475 CarbonylContact O-C 3.59Å; I457-G475 WeakPolarHBondContact O-CA 3.42Å; I457-Q476 HydrophobicContact CG1-CB 4.14Å; I457-Q476 VanDerWaalsContact CG1-O 3.23Å; I457-Q476 WeakPolarHBondContact CG1-O 3.26Å; I457-Q476 PolarHBondContact N-O 2.85Å; I457-Q476 PolarHBondContact O-N 2.86Å; I457-F514 HydrophobicContact CB-CE2 4.24Å; I457-F514 HydrophobicContact CD1-CE2 3.7Å; I457-F514 HydrophobicContact CD1-CZ 4.16Å; I457-F514 HydrophobicContact CG1-CD2 4.47Å; I457-F514 HydrophobicContact CG1-CE2 3.82Å
458	G	91.9	Very high	88.2	Confident	2 Å²	2	36.1 Å²	36.1	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	63.4	18.4	169.6	0	0	0	0	0	115.3	D389 T515	D389-G458 PolarHBondContact O-N 2.88Å; G458-T515 PolarHBondContact O-N 3.23Å
459	H	94	Very high	90	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.			trans	-76.6	164.9	172.5	60.2	-79.1	0	0	0	110.9	Q391 F404 R456 I457 G474	Q391-H459 VanDerWaalsContact CD-O 3.3Å; Q391-H459 WeakPolarHBondContact CG-NE2 3.44Å; Q391-H459 VanDerWaalsContact CG-O 3.26Å; Q391-H459 WeakPolarHBondContact CG-O 3.38Å; Q391-H459 PolarHBondContact NE2-O 2.97Å; F404-H459 AromaticContact CD1-NE2 3.51Å; F404-H459 PolarHBondContact O-CE1 3.47Å; F404-H459 VanDerWaalsContact O-CE1 3.3Å; F404-H459 PolarHBondContact O-NE2 3.2Å; R456-H459 HydrophobicContact CG-CB 3.75Å; R456-H459 VanDerWaalsContact CG-ND1 3.34Å; R456-H459 WeakPolarHBondContact CG-ND1 3.44Å; R456-H459 PolarHBondContact O-CE1 3Å; R456-H459 PolarHBondContact O-ND1 3.38Å; I457-H459 PolarHBondContact O-N 3.48Å; I457-H459 VanDerWaalsContact O-N 3.08Å; H459-G474 WeakPolarHBondContact CB-O 3.41Å
460	C	94.3	Very high	91.7	Very high	6 Å²	6	32 Å²	32	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.2	165.9	-60.5	0	0	0	0	109.7	V472 F473 Q516 A518	C460-V472 VanDerWaalsContact O-CA 3.3Å; C460-V472 WeakPolarHBondContact O-CA 3.13Å; C460-F473 HydrophobicContact CB-CB 4.37Å; C460-F473 PolarHBondContact N-O 2.82Å; C460-F473 PolarHBondContact O-N 3.07Å; C460-Q516 VanDerWaalsContact SG-CB 3.6Å; C460-Q516 PolarHBondContact SG-O 3.04Å; C460-A518 HydrophobicContact CB-CB 3.64Å; C460-A518 VanDerWaalsContact SG-CB 3.59Å
461	M	96.8	Very high	93.4	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.034	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.6	167.9	-172.5	176.7	77.4	0	0	108.5	Q391 C393 Y402 F404 L470 Y471 V472	Q391-M461 HydrophobicContact CB-CB 3.43Å; Q391-M461 VanDerWaalsContact CB-CB 3.43Å; Q391-M461 HydrophobicContact CB-CE 3.86Å; Q391-M461 HydrophobicContact CB-CG 4.41Å; Q391-M461 HydrophobicContact CB-SD 4.31Å; Q391-M461 HydrophobicContact CG-CB 3.83Å; Q391-M461 WeakPolarHBondContact O-CE 3.31Å; C393-M461 HydrophobicContact CB-CE 4.09Å; C393-M461 VanDerWaalsContact SG-C 3.51Å; C393-M461 VanDerWaalsContact SG-CE 3.55Å; C393-M461 PolarHBondContact SG-O 2.9Å; Y402-M461 VanDerWaalsContact O-CE 3.3Å; Y402-M461 WeakPolarHBondContact O-CE 3.33Å; F404-M461 HydrophobicContact CB-CE 4.36Å; F404-M461 HydrophobicContact CB-SD 3.48Å; F404-M461 WeakPolarHBondContact CB-SD 3.45Å; F404-M461 HydrophobicContact CG-SD 4.43Å; M461-L470 HydrophobicContact CG-CD2 4.4Å; M461-L470 HydrophobicContact SD-CD1 4.45Å; M461-L470 HydrophobicContact SD-CD2 4.45Å; M461-Y471 CarbonylContact C-O 3.51Å; M461-Y471 VanDerWaalsContact CA-O 3.24Å; M461-Y471 WeakPolarHBondContact CA-O 3.34Å; M461-V472 HydrophobicContact CB-CG2 4.34Å; M461-V472 HydrophobicContact CG-CG2 3.9Å; M461-V472 HydrophobicContact SD-CG2 4.41Å
462	L	97.9	Very high	94.5	Very high	19 Å²	19	22.2 Å²	22.2	10%	0.099	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.7	-177.2	-64.9	165.1	0	0	0	109.5	L470 Y471 A518 I520 I527	L462-L470 CarbonylContact O-C 3.59Å; L462-L470 VanDerWaalsContact O-CA 3.26Å; L462-L470 WeakPolarHBondContact O-CA 3.4Å; L462-Y471 PolarHBondContact N-O 2.89Å; L462-Y471 PolarHBondContact O-N 3.29Å; L462-A518 HydrophobicContact CD1-CB 3.63Å; L462-A518 HydrophobicContact CG-CB 4.26Å; L462-I520 HydrophobicContact CB-CB 4.26Å; L462-I520 HydrophobicContact CB-CD1 4.41Å; L462-I520 HydrophobicContact CB-CG2 4.37Å; L462-I520 HydrophobicContact CD1-CB 4.11Å; L462-I520 HydrophobicContact CD2-CB 4.36Å; L462-I520 HydrophobicContact CD2-CG2 4.39Å; L462-I520 HydrophobicContact CG-CB 4.48Å; L462-I527 HydrophobicContact CD1-CB 4.33Å; L462-I527 HydrophobicContact CD1-CD1 4.46Å; L462-I527 HydrophobicContact CD1-CG1 4.05Å; L462-I527 HydrophobicContact CD1-CG2 3.53Å
463	F	98.3	Very high	95.2	Very high	20 Å²	20	20 Å²	20	9%	0.088	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.6	173.5	179.5	-111.4	0	0	0	109.9	C393 D395 Y402 R468 L470 V490	C393-F463 HydrophobicContact CB-CB 3.75Å; D395-F463 HydrophobicContact CB-CD1 4.06Å; D395-F463 HydrophobicContact CB-CE1 3.49Å; D395-F463 VanDerWaalsContact CB-CE1 3.49Å; D395-F463 HydrophobicContact CB-CZ 3.76Å; Y402-F463 HydrophobicContact CE2-CD2 4.4Å; Y402-F463 HydrophobicContact CE2-CE2 4.23Å; F463-R468 HydrophobicContact CZ-CB 4.42Å; F463-L470 HydrophobicContact CB-CD2 4Å; F463-L470 HydrophobicContact CD2-CD2 3.92Å; F463-L470 HydrophobicContact CD2-CG 4.48Å; F463-L470 HydrophobicContact CG-CD2 4.43Å; F463-V490 HydrophobicContact CD2-CG1 4.47Å; F463-V490 HydrophobicContact CE2-CG1 4.11Å; F463-V490 HydrophobicContact CE2-CG2 4.11Å
464	H	98.1	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.9	173.8	-167.8	-50.9	0	0	0	109.5	K466 N467 R468 C469 Y471 I520 N525	H464-K466 PolarHBondContact ND1-N 2.91Å; H464-K466 PolarHBondContact O-N 2.92Å; H464-N467 HydrophobicContact CB-CB 4.3Å; H464-N467 PolarHBondContact ND1-N 2.74Å; H464-N467 PolarHBondContact O-N 3.22Å; H464-R468 VanDerWaalsContact O-CA 3.29Å; H464-R468 WeakPolarHBondContact O-CA 3.34Å; H464-R468 PolarHBondContact O-N 3.01Å; H464-C469 PolarHBondContact N-O 3.49Å; H464-Y471 HydrophobicContact CB-CD2 4.18Å; H464-Y471 HydrophobicContact CB-CE2 3.78Å; H464-I520 HydrophobicContact CB-CD1 3.85Å; H464-N525 PolarHBondContact NE2-OD1 3.11Å
465	S	95.9	Very high	95.3	Very high	48 Å²	48	18.4 Å²	18.4	34%	0.336	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-45.2	-173.9	53.7	0	0	0	0	113.8	R468	S465-R468 WeakPolarHBondContact O-CG 3.37Å
466	K	96.2	Very high	95	Very high	109 Å²	109	19.9 Å²	19.9	47%	0.474	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-46.1	-178.9	-55.6	-178.7	179.1	174.5	0	114.1	H464 R468 E523	H464-K466 PolarHBondContact ND1-N 2.91Å; H464-K466 PolarHBondContact O-N 2.92Å; K466-R468 VanDerWaalsContact C-N 3.28Å; K466-E523 WeakPolarHBondContact CE-OE1 3.49Å; K466-E523 IonicContact NZ-OE1 3.49Å; K466-E523 PolarHBondContact NZ-OE1 3.49Å; K466-E523 IonicContact NZ-OE2 3.04Å; K466-E523 PolarHBondContact NZ-OE2 2.72Å
467	N	95.8	Very high	94.7	Very high	71 Å²	71	21.6 Å²	21.6	38%	0.38	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.9	-178.6	-60.6	-11.2	0	0	0	112.6	H464 C469	H464-N467 HydrophobicContact CB-CB 4.3Å; H464-N467 PolarHBondContact ND1-N 2.74Å; H464-N467 PolarHBondContact O-N 3.22Å; N467-C469 PolarHBondContact O-N 3.17Å; N467-C469 VanDerWaalsContact O-N 3.16Å; N467-C469 PolarHBondContact O-SG 2.76Å
468	R	97.3	Very high	94.3	Very high	29 Å²	29	23.3 Å²	23.3	11%	0.109	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	38.2	-177.7	-59	-170.7	52.5	63.4	20.7	113.5	D395 K398 F463 H464 S465 K466 V490 D491	D395-R468 IonicContact OD1-NH1 2.78Å; D395-R468 IonicContact OD2-CZ 3.34Å; D395-R468 IonicContact OD2-NH1 3.66Å; D395-R468 PolarHBondContact OD2-NH1 3.02Å; D395-R468 IonicContact OD2-NH2 3.66Å; D395-R468 PolarHBondContact OD2-NH2 2.86Å; D395-R468 VanDerWaalsContact OD2-NH2 3.09Å; K398-R468 VanDerWaalsContact CD-NH2 3.33Å; K398-R468 VanDerWaalsContact CE-NH2 3.29Å; F463-R468 HydrophobicContact CZ-CB 4.42Å; H464-R468 VanDerWaalsContact O-CA 3.29Å; H464-R468 WeakPolarHBondContact O-CA 3.34Å; H464-R468 PolarHBondContact O-N 3.01Å; S465-R468 WeakPolarHBondContact O-CG 3.37Å; K466-R468 VanDerWaalsContact C-N 3.28Å; R468-V490 HydrophobicContact CB-CG2 4.27Å; R468-V490 VanDerWaalsContact NH2-CG2 3.35Å; R468-V490 VanDerWaalsContact O-CG2 3.27Å; R468-V490 WeakPolarHBondContact O-CG2 3.27Å; R468-V490 PolarHBondContact O-N 3.03Å; R468-V490 VanDerWaalsContact O-N 3.14Å; R468-D491 VanDerWaalsContact CD-OD2 3.29Å; R468-D491 WeakPolarHBondContact CD-OD2 3.17Å; R468-D491 IonicContact CZ-OD1 2.79Å; R468-D491 IonicContact CZ-OD2 3.5Å; R468-D491 VanDerWaalsContact NE-CG 3.26Å; R468-D491 IonicContact NE-OD1 3.67Å; R468-D491 PolarHBondContact NE-OD1 2.81Å; R468-D491 VanDerWaalsContact NE-OD1 3.15Å; R468-D491 IonicContact NE-OD2 2.73Å; R468-D491 PolarHBondContact NE-OD2 3.42Å; R468-D491 IonicContact NH2-OD1 3.65Å; R468-D491 PolarHBondContact NH2-OD1 3.47Å; R468-D491 IonicContact NH2-OD2 3.42Å
469	C	98	Very high	93.8	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.115	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.2	-179.3	-69.8	0	0	0	0	111.2	H464 N467 Y471 Y488	H464-C469 PolarHBondContact N-O 3.49Å; N467-C469 PolarHBondContact O-N 3.17Å; N467-C469 VanDerWaalsContact O-N 3.16Å; N467-C469 PolarHBondContact O-SG 2.76Å; C469-Y471 HydrophobicContact CB-CD2 4.38Å; C469-Y471 HydrophobicContact CB-CE2 3.86Å; C469-Y488 CarbonylContact C-O 3.59Å; C469-Y488 VanDerWaalsContact CA-O 3.26Å; C469-Y488 WeakPolarHBondContact CA-O 3.1Å
470	L	98.3	Very high	93.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135.8	161.6	-63	171	0	0	0	109	C393 Y402 L428 M461 L462 F463 S487 Y488 V490	C393-L470 HydrophobicContact CB-CD2 4.12Å; Y402-L470 HydrophobicContact CD1-CD1 4.33Å; Y402-L470 HydrophobicContact CD2-CD2 4.13Å; Y402-L470 HydrophobicContact CG-CD1 4.02Å; Y402-L470 HydrophobicContact CG-CD2 4.21Å; L428-L470 HydrophobicContact CD1-CD1 3.76Å; L428-L470 HydrophobicContact CD2-CD1 4.33Å; M461-L470 HydrophobicContact CG-CD2 4.4Å; M461-L470 HydrophobicContact SD-CD1 4.45Å; M461-L470 HydrophobicContact SD-CD2 4.45Å; L462-L470 CarbonylContact O-C 3.59Å; L462-L470 VanDerWaalsContact O-CA 3.26Å; L462-L470 WeakPolarHBondContact O-CA 3.4Å; F463-L470 HydrophobicContact CB-CD2 4Å; F463-L470 HydrophobicContact CD2-CD2 3.92Å; F463-L470 HydrophobicContact CD2-CG 4.48Å; F463-L470 HydrophobicContact CG-CD2 4.43Å; L470-S487 CarbonylContact O-C 3.5Å; L470-S487 WeakPolarHBondContact O-CA 3.34Å; L470-Y488 HydrophobicContact CD1-CD1 3.91Å; L470-Y488 HydrophobicContact CG-CD1 4.41Å; L470-Y488 PolarHBondContact N-O 2.92Å; L470-Y488 PolarHBondContact O-N 2.92Å; L470-V490 HydrophobicContact CD1-CG1 4.13Å; L470-V490 HydrophobicContact CG-CG1 3.83Å
471	Y	97.3	Very high	92.8	Very high	18 Å²	18	38.5 Å²	38.5	7%	0.071	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.4	173.4	-77.6	-95.1	0	0	0	108.7	M461 L462 H464 C469 F485 I498 I527 I553	M461-Y471 CarbonylContact C-O 3.51Å; M461-Y471 VanDerWaalsContact CA-O 3.24Å; M461-Y471 WeakPolarHBondContact CA-O 3.34Å; L462-Y471 PolarHBondContact N-O 2.89Å; L462-Y471 PolarHBondContact O-N 3.29Å; H464-Y471 HydrophobicContact CB-CD2 4.18Å; H464-Y471 HydrophobicContact CB-CE2 3.78Å; C469-Y471 HydrophobicContact CB-CD2 4.38Å; C469-Y471 HydrophobicContact CB-CE2 3.86Å; Y471-F485 AromaticContact CD1-CE2 3.77Å; Y471-F485 HydrophobicContact CD1-CE2 3.77Å; Y471-F485 AromaticContact CD1-CZ 3.8Å; Y471-F485 HydrophobicContact CD1-CZ 3.8Å; Y471-F485 HydrophobicContact CG-CE2 4.42Å; Y471-I498 HydrophobicContact CD1-CD1 3.7Å; Y471-I498 HydrophobicContact CE1-CD1 3.62Å; Y471-I527 HydrophobicContact CD1-CD1 3.64Å; Y471-I527 HydrophobicContact CD2-CD1 4.24Å; Y471-I527 HydrophobicContact CE1-CD1 4.29Å; Y471-I527 HydrophobicContact CG-CD1 3.6Å; Y471-I553 HydrophobicContact CE1-CD1 4.41Å; Y471-I553 HydrophobicContact CE1-CG1 4.4Å; Y471-I553 HydrophobicContact CE1-CG2 4.43Å; Y471-I553 HydrophobicContact CE2-CD1 4.33Å; Y471-I553 WeakPolarHBondContact OH-CG2 3.46Å
472	V	95.2	Very high	92.2	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.7	-177	176.3	0	0	0	0	110.3	F404 C460 M461 F485 F486	F404-V472 HydrophobicContact CD1-CG1 4.28Å; F404-V472 HydrophobicContact CD1-CG2 4.14Å; F404-V472 HydrophobicContact CE1-CG1 4.01Å; F404-V472 HydrophobicContact CE1-CG2 4.4Å; C460-V472 VanDerWaalsContact O-CA 3.3Å; C460-V472 WeakPolarHBondContact O-CA 3.13Å; M461-V472 HydrophobicContact CB-CG2 4.34Å; M461-V472 HydrophobicContact CG-CG2 3.9Å; M461-V472 HydrophobicContact SD-CG2 4.41Å; V472-F485 WeakPolarHBondContact O-CA 3.49Å; V472-F485 WeakPolarHBondContact O-CD2 3.26Å; V472-F486 HydrophobicContact CB-CD1 4.24Å; V472-F486 HydrophobicContact CB-CD2 4.25Å; V472-F486 HydrophobicContact CB-CE1 3.67Å; V472-F486 HydrophobicContact CB-CE2 3.69Å; V472-F486 HydrophobicContact CB-CZ 3.38Å; V472-F486 HydrophobicContact CG1-CD1 4.48Å; V472-F486 HydrophobicContact CG1-CE1 3.58Å; V472-F486 HydrophobicContact CG1-CE2 4.31Å; V472-F486 HydrophobicContact CG1-CZ 3.49Å; V472-F486 VanDerWaalsContact CG1-CZ 3.49Å; V472-F486 HydrophobicContact CG2-CE2 3.85Å; V472-F486 HydrophobicContact CG2-CZ 3.83Å; V472-F486 PolarHBondContact N-O 3.36Å; V472-F486 PolarHBondContact O-N 3.01Å; V472-F486 VanDerWaalsContact O-N 3.11Å
473	F	92.4	Very high	91.4	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.5	-177.2	177	-116.2	0	0	0	112.6	C460 F485 P510 Q516 W558	C460-F473 HydrophobicContact CB-CB 4.37Å; C460-F473 PolarHBondContact N-O 2.82Å; C460-F473 PolarHBondContact O-N 3.07Å; F473-F485 HydrophobicContact CB-CD2 3.81Å; F473-F485 HydrophobicContact CB-CE2 4.19Å; F473-F485 HydrophobicContact CB-CG 4.36Å; F473-F485 HydrophobicContact CD2-CB 3.74Å; F473-F485 HydrophobicContact CD2-CD2 4.26Å; F473-F485 AromaticContact CD2-CG 3.95Å; F473-F485 HydrophobicContact CD2-CG 3.95Å; F473-F485 HydrophobicContact CE2-CB 4.42Å; F473-F485 HydrophobicContact CG-CD2 4.44Å; F473-P510 HydrophobicContact CE1-CB 3.88Å; F473-P510 HydrophobicContact CE1-CG 3.83Å; F473-P510 HydrophobicContact CZ-CB 3.93Å; F473-P510 HydrophobicContact CZ-CG 3.84Å; F473-Q516 VanDerWaalsContact CE1-OE1 3.22Å; F473-W558 HydrophobicContact CD1-CH2 4.32Å; F473-W558 HydrophobicContact CD2-CZ2 4.32Å; F473-W558 HydrophobicContact CE1-CH2 4.29Å; F473-W558 HydrophobicContact CE1-CZ2 4.5Å; F473-W558 HydrophobicContact CE2-CZ2 4.25Å; F473-W558 HydrophobicContact CG-CZ2 4.47Å; F473-W558 HydrophobicContact CZ-CZ2 4.34Å
474	G	89.7	Confident	90.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.2	-150.2	167.8	0	0	0	0	0	114.8	R456 H459 L482 D484	R456-G474 VanDerWaalsContact CD-O 3.26Å; R456-G474 WeakPolarHBondContact CD-O 3.27Å; H459-G474 WeakPolarHBondContact CB-O 3.41Å; G474-L482 VanDerWaalsContact CA-O 3.29Å; G474-L482 WeakPolarHBondContact CA-O 3.3Å; G474-D484 PolarHBondContact N-O 3.2Å
475	G	91.1	Very high	90.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.7	-159.8	-178	0	0	0	0	0	113.3	I457 L482	I457-G475 CarbonylContact O-C 3.59Å; I457-G475 WeakPolarHBondContact O-CA 3.42Å; G475-L482 PolarHBondContact O-N 2.84Å
476	Q	88.6	Confident	90.2	Very high	31 Å²	31	38.6 Å²	38.6	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.4	-174.6	-178.3	179.6	-8.3	0	0	110.8	I457 S478 T480 Y481 F514	I457-Q476 HydrophobicContact CG1-CB 4.14Å; I457-Q476 VanDerWaalsContact CG1-O 3.23Å; I457-Q476 WeakPolarHBondContact CG1-O 3.26Å; I457-Q476 PolarHBondContact N-O 2.85Å; I457-Q476 PolarHBondContact O-N 2.86Å; Q476-S478 PolarHBondContact NE2-O 3.47Å; Q476-T480 CarbonylContact C-O 3.57Å; Q476-T480 WeakPolarHBondContact CA-O 3.34Å; Q476-T480 WeakPolarHBondContact CG-O 3.32Å; Q476-Y481 HydrophobicContact CB-CD1 4.49Å; Q476-F514 HydrophobicContact CB-CD2 4.07Å
477	R	87.9	Confident	90.2	Very high	37 Å²	37	33.9 Å²	33.9	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.5	167.4	-171.9	-179.6	178.1	89.8	-1.9	108.9	F425 D444 C446 S455 K479 T480 L482	F425-R477 HydrophobicContact CD2-CG 4.47Å; F425-R477 HydrophobicContact CE1-CG 4.44Å; F425-R477 HydrophobicContact CE2-CG 3.81Å; F425-R477 HydrophobicContact CZ-CG 3.81Å; D444-R477 VanDerWaalsContact CG-NH1 3.28Å; D444-R477 IonicContact OD1-CZ 3.79Å; D444-R477 IonicContact OD1-NH1 2.72Å; D444-R477 PolarHBondContact OD1-NH1 2.82Å; D444-R477 IonicContact OD1-NH2 3.99Å; D444-R477 IonicContact OD2-CZ 2.88Å; D444-R477 IonicContact OD2-NH1 3.24Å; D444-R477 PolarHBondContact OD2-NH1 2.87Å; D444-R477 IonicContact OD2-NH2 3.34Å; D444-R477 PolarHBondContact OD2-NH2 2.82Å; C446-R477 PolarHBondContact SG-NH2 3.11Å; C446-R477 VanDerWaalsContact SG-NH2 3.41Å; S455-R477 PolarHBondContact O-NH1 2.83Å; R477-K479 PolarHBondContact O-N 2.9Å; R477-K479 VanDerWaalsContact O-N 3.07Å; R477-T480 PolarHBondContact N-O 2.82Å; R477-T480 PolarHBondContact O-N 3.01Å; R477-L482 HydrophobicContact CB-CD1 4.17Å
478	S	85.2	Confident	90.2	Very high	59 Å²	59	30.8 Å²	30.8	41%	0.413	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-112.6	-175.3	-61.2	0	0	0	0	111.5	Q476	Q476-S478 PolarHBondContact NE2-O 3.47Å
479	K	82.3	Confident	90.2	Very high	198 Å²	198	31.5 Å²	31.5	86%	0.861	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2	177.9	-64.7	-179.3	-179.5	175.4	0	113.4	R477	R477-K479 PolarHBondContact O-N 2.9Å; R477-K479 VanDerWaalsContact O-N 3.07Å
480	T	82.6	Confident	90.2	Very high	88 Å²	88	31.6 Å²	31.6	54%	0.54	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.4	-173.1	-55.7	0	0	0	0	110	Q476 R477 L482	Q476-T480 CarbonylContact C-O 3.57Å; Q476-T480 WeakPolarHBondContact CA-O 3.34Å; Q476-T480 WeakPolarHBondContact CG-O 3.32Å; R477-T480 PolarHBondContact N-O 2.82Å; R477-T480 PolarHBondContact O-N 3.01Å; T480-L482 HydrophobicContact CG2-CD2 4.33Å
481	Y	83.3	Confident	90.1	Very high	41 Å²	41	35.9 Å²	35.9	16%	0.161	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.6	167.6	-68.6	-96.7	0	0	0	109	Q476 F514 K535	Q476-Y481 HydrophobicContact CB-CD1 4.49Å; Y481-F514 HydrophobicContact CD1-CB 4.3Å; Y481-F514 HydrophobicContact CE1-CB 3.6Å; Y481-K535 HydrophobicContact CD2-CD 4.42Å; Y481-K535 HydrophobicContact CE2-CD 3.52Å; Y481-K535 HydrophobicContact CE2-CG 4.34Å; Y481-K535 WeakPolarHBondContact OH-CD 3.29Å; Y481-K535 VanDerWaalsContact OH-CE 3.31Å; Y481-K535 WeakPolarHBondContact OH-CE 3.4Å; Y481-K535 PolarHBondContact OH-NZ 2.85Å; Y481-K535 VanDerWaalsContact OH-NZ 3.11Å
482	L	84.6	Confident	90	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	149.9	178	-57.9	178.8	0	0	0	108.8	R456 G474 G475 R477 T480 D484	R456-L482 HydrophobicContact CB-CD1 3.72Å; R456-L482 HydrophobicContact CG-CD1 4.38Å; G474-L482 VanDerWaalsContact CA-O 3.29Å; G474-L482 WeakPolarHBondContact CA-O 3.3Å; G475-L482 PolarHBondContact O-N 2.84Å; R477-L482 HydrophobicContact CB-CD1 4.17Å; T480-L482 HydrophobicContact CG2-CD2 4.33Å; L482-D484 WeakPolarHBondContact CB-OD1 3.24Å
483	N	82	Confident	89.9	Confident	43 Å²	43	41.6 Å²	41.6	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	16.6	175	57.8	-23	0	0	0	111.7	G501 T512	N483-G501 VanDerWaalsContact C-CA 3.49Å; N483-G501 PolarHBondContact ND2-O 2.75Å; N483-G501 VanDerWaalsContact O-CA 3.23Å; N483-G501 WeakPolarHBondContact O-CA 3.26Å; N483-G501 WeakPolarHBondContact OD1-CA 3.29Å; N483-G501 PolarHBondContact OD1-O 2.77Å; N483-T512 HydrophobicContact CB-CG2 3.42Å; N483-T512 VanDerWaalsContact CB-CG2 3.42Å; N483-T512 VanDerWaalsContact CG-CG2 3.41Å
484	D	85.9	Confident	89.9	Confident	28 Å²	28	45.7 Å²	45.7	15%	0.15	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	153.1	161.7	61.1	-38.9	0	0	0	109.8	R456 G474 L482 S499	R456-D484 IonicContact CZ-OD1 3.34Å; R456-D484 IonicContact CZ-OD2 3.41Å; R456-D484 IonicContact NH1-OD1 3.15Å; R456-D484 PolarHBondContact NH1-OD1 3.45Å; R456-D484 IonicContact NH1-OD2 2.92Å; R456-D484 PolarHBondContact NH1-OD2 2.93Å; R456-D484 IonicContact NH2-OD2 2.83Å; R456-D484 PolarHBondContact NH2-OD2 3.21Å; G474-D484 PolarHBondContact N-O 3.2Å; L482-D484 WeakPolarHBondContact CB-OD1 3.24Å; D484-S499 CarbonylContact C-O 3.51Å; D484-S499 WeakPolarHBondContact CA-O 3.17Å
485	F	89.9	Confident	89.9	Confident	2 Å²	2	46 Å²	46	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.4	-177.9	-170.6	-164.1	0	0	0	107.2	Y471 V472 F473 I498 S499 I527 Y551 W558	Y471-F485 AromaticContact CD1-CE2 3.77Å; Y471-F485 HydrophobicContact CD1-CE2 3.77Å; Y471-F485 AromaticContact CD1-CZ 3.8Å; Y471-F485 HydrophobicContact CD1-CZ 3.8Å; Y471-F485 HydrophobicContact CG-CE2 4.42Å; V472-F485 WeakPolarHBondContact O-CA 3.49Å; V472-F485 WeakPolarHBondContact O-CD2 3.26Å; F473-F485 HydrophobicContact CB-CD2 3.81Å; F473-F485 HydrophobicContact CB-CE2 4.19Å; F473-F485 HydrophobicContact CB-CG 4.36Å; F473-F485 HydrophobicContact CD2-CB 3.74Å; F473-F485 HydrophobicContact CD2-CD2 4.26Å; F473-F485 AromaticContact CD2-CG 3.95Å; F473-F485 HydrophobicContact CD2-CG 3.95Å; F473-F485 HydrophobicContact CE2-CB 4.42Å; F473-F485 HydrophobicContact CG-CD2 4.44Å; F485-I498 HydrophobicContact CB-CB 4.3Å; F485-I498 HydrophobicContact CD1-CB 3.92Å; F485-I498 HydrophobicContact CD1-CD1 4.06Å; F485-I498 HydrophobicContact CD1-CG2 3.55Å; F485-I498 HydrophobicContact CD2-CD1 4.06Å; F485-I498 HydrophobicContact CE1-CB 4.44Å; F485-I498 HydrophobicContact CE1-CD1 3.87Å; F485-I498 HydrophobicContact CE1-CG2 3.9Å; F485-I498 HydrophobicContact CE2-CD1 3.88Å; F485-I498 HydrophobicContact CG-CB 4.1Å; F485-I498 HydrophobicContact CG-CD1 4.17Å; F485-I498 HydrophobicContact CG-CG2 4.24Å; F485-I498 HydrophobicContact CZ-CD1 3.77Å; F485-I498 WeakPolarHBondContact O-CB 3.33Å; F485-I498 PolarHBondContact O-N 2.79Å; F485-S499 PolarHBondContact N-O 3.36Å; F485-S499 PolarHBondContact O-N 2.99Å; F485-I527 HydrophobicContact CE2-CD1 4.46Å; F485-I527 HydrophobicContact CZ-CD1 3.92Å; F485-Y551 HydrophobicContact CD1-CE2 4.42Å; F485-Y551 AromaticContact CE1-CD1 3.52Å; F485-Y551 HydrophobicContact CE1-CD1 3.52Å; F485-Y551 AromaticContact CE1-CD2 3.82Å; F485-Y551 HydrophobicContact CE1-CD2 3.82Å; F485-Y551 AromaticContact CE1-CE1 3.46Å; F485-Y551 HydrophobicContact CE1-CE1 3.46Å; F485-Y551 VanDerWaalsContact CE1-CE1 3.46Å; F485-Y551 AromaticContact CE1-CE2 3.79Å; F485-Y551 HydrophobicContact CE1-CE2 3.79Å; F485-Y551 AromaticContact CE1-CG 3.68Å; F485-Y551 HydrophobicContact CE1-CG 3.68Å; F485-Y551 AromaticContact CE1-CZ 3.62Å; F485-Y551 AromaticContact CZ-CD1 3.71Å; F485-Y551 HydrophobicContact CZ-CD1 3.71Å; F485-Y551 AromaticContact CZ-CE1 3.75Å; F485-Y551 HydrophobicContact CZ-CE1 3.75Å; F485-Y551 HydrophobicContact CZ-CG 4.23Å; F485-W558 AromaticContact CD1-CZ2 3.81Å; F485-W558 HydrophobicContact CD1-CZ2 3.81Å; F485-W558 AromaticContact CE1-CZ2 3.69Å; F485-W558 HydrophobicContact CE1-CZ2 3.69Å; F485-W558 HydrophobicContact CZ-CZ2 4.39Å
486	F	91.4	Very high	89.8	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158	178.5	61.6	-89	0	0	0	110.5	F404 I453 V472 V495 D496 I497	F404-F486 HydrophobicContact CE1-CZ 4.17Å; F404-F486 HydrophobicContact CZ-CZ 4.42Å; I453-F486 HydrophobicContact CB-CE2 4.13Å; I453-F486 HydrophobicContact CB-CZ 4.11Å; I453-F486 HydrophobicContact CG2-CD2 4.13Å; I453-F486 HydrophobicContact CG2-CE2 3.51Å; I453-F486 HydrophobicContact CG2-CZ 3.99Å; V472-F486 HydrophobicContact CB-CD1 4.24Å; V472-F486 HydrophobicContact CB-CD2 4.25Å; V472-F486 HydrophobicContact CB-CE1 3.67Å; V472-F486 HydrophobicContact CB-CE2 3.69Å; V472-F486 HydrophobicContact CB-CZ 3.38Å; V472-F486 HydrophobicContact CG1-CD1 4.48Å; V472-F486 HydrophobicContact CG1-CE1 3.58Å; V472-F486 HydrophobicContact CG1-CE2 4.31Å; V472-F486 HydrophobicContact CG1-CZ 3.49Å; V472-F486 VanDerWaalsContact CG1-CZ 3.49Å; V472-F486 HydrophobicContact CG2-CE2 3.85Å; V472-F486 HydrophobicContact CG2-CZ 3.83Å; V472-F486 PolarHBondContact N-O 3.36Å; V472-F486 PolarHBondContact O-N 3.01Å; V472-F486 VanDerWaalsContact O-N 3.11Å; F486-V495 HydrophobicContact CB-CG1 4.32Å; F486-V495 HydrophobicContact CD2-CG1 4.18Å; F486-D496 CarbonylContact C-O 3.49Å; F486-D496 VanDerWaalsContact CA-O 3.24Å; F486-D496 WeakPolarHBondContact CA-O 3.4Å; F486-D496 WeakPolarHBondContact CB-O 3.43Å; F486-I497 HydrophobicContact CB-CD1 3.74Å; F486-I497 HydrophobicContact CG-CD1 4.49Å
487	S	95.2	Very high	89.6	Confident	11 Å²	11	52.2 Å²	52.2	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	151.3	166.4	61	0	0	0	0	110.5	L470 V495 D496	L470-S487 CarbonylContact O-C 3.5Å; L470-S487 WeakPolarHBondContact O-CA 3.34Å; S487-V495 WeakPolarHBondContact O-CA 3.49Å; S487-D496 PolarHBondContact N-O 3.46Å; S487-D496 PolarHBondContact O-N 3.03Å
488	Y	96.5	Very high	89.5	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.7	174.9	169.8	-88.9	0	0	0	108.5	L428 L441 R442 C469 L470 V490 D493 H494 V495	L428-Y488 HydrophobicContact CD2-CD1 3.78Å; L428-Y488 HydrophobicContact CD2-CD2 4.19Å; L428-Y488 HydrophobicContact CD2-CE1 3.52Å; L428-Y488 HydrophobicContact CD2-CE2 3.94Å; L428-Y488 HydrophobicContact CD2-CG 4.12Å; L441-Y488 HydrophobicContact CD1-CE1 4.26Å; R442-Y488 HydrophobicContact CG-CE2 4.15Å; C469-Y488 CarbonylContact C-O 3.59Å; C469-Y488 VanDerWaalsContact CA-O 3.26Å; C469-Y488 WeakPolarHBondContact CA-O 3.1Å; L470-Y488 HydrophobicContact CD1-CD1 3.91Å; L470-Y488 HydrophobicContact CG-CD1 4.41Å; L470-Y488 PolarHBondContact N-O 2.92Å; L470-Y488 PolarHBondContact O-N 2.92Å; Y488-V490 HydrophobicContact CD1-CG1 4.01Å; Y488-V490 HydrophobicContact CE1-CB 4.28Å; Y488-V490 HydrophobicContact CE1-CG1 4.05Å; Y488-V490 PolarHBondContact O-N 3.25Å; Y488-D493 WeakPolarHBondContact CE2-OD1 3.46Å; Y488-D493 PolarHBondContact OH-OD1 3.41Å; Y488-D493 VanDerWaalsContact OH-OD1 3.08Å; Y488-H494 CarbonylContact C-O 3.56Å; Y488-H494 WeakPolarHBondContact CA-O 3.09Å; Y488-V495 HydrophobicContact CD2-CG2 3.86Å
489	D	97	Very high	89.3	Confident	44 Å²	44	49.4 Å²	49.4	24%	0.235	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	117	174.6	-179.1	-25	0	0	0	109.5	D491 S492 D493 H494	D489-D491 VanDerWaalsContact C-N 3.29Å; D489-D491 PolarHBondContact O-N 2.98Å; D489-D491 PolarHBondContact OD1-N 3.28Å; D489-S492 VanDerWaalsContact CB-OG 3.29Å; D489-S492 WeakPolarHBondContact CB-OG 3.31Å; D489-S492 PolarHBondContact OD1-N 3.11Å; D489-S492 PolarHBondContact OD2-OG 3.06Å; D489-D493 WeakPolarHBondContact O-CA 3.23Å; D489-D493 PolarHBondContact O-N 3Å; D489-H494 HydrophobicContact CB-CB 4.48Å; D489-H494 PolarHBondContact N-O 2.68Å
490	V	97.3	Very high	88.9	Confident	19 Å²	19	42.8 Å²	42.8	12%	0.115	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.8	-174.3	-51.2	0	0	0	0	113.7	Y402 F463 R468 L470 Y488	Y402-V490 HydrophobicContact CD1-CG1 4.41Å; Y402-V490 HydrophobicContact CE1-CB 3.97Å; Y402-V490 HydrophobicContact CE1-CG1 3.97Å; Y402-V490 HydrophobicContact CE2-CB 4.45Å; Y402-V490 HydrophobicContact CE2-CG1 4.08Å; Y402-V490 HydrophobicContact CE2-CG2 4.5Å; Y402-V490 WeakPolarHBondContact OH-CG2 3.43Å; F463-V490 HydrophobicContact CD2-CG1 4.47Å; F463-V490 HydrophobicContact CE2-CG1 4.11Å; F463-V490 HydrophobicContact CE2-CG2 4.11Å; R468-V490 HydrophobicContact CB-CG2 4.27Å; R468-V490 VanDerWaalsContact NH2-CG2 3.35Å; R468-V490 VanDerWaalsContact O-CG2 3.27Å; R468-V490 WeakPolarHBondContact O-CG2 3.27Å; R468-V490 PolarHBondContact O-N 3.03Å; R468-V490 VanDerWaalsContact O-N 3.14Å; L470-V490 HydrophobicContact CD1-CG1 4.13Å; L470-V490 HydrophobicContact CG-CG1 3.83Å; Y488-V490 HydrophobicContact CD1-CG1 4.01Å; Y488-V490 HydrophobicContact CE1-CB 4.28Å; Y488-V490 HydrophobicContact CE1-CG1 4.05Å; Y488-V490 PolarHBondContact O-N 3.25Å
491	D	96.8	Very high	88.2	Confident	92 Å²	92	39.1 Å²	39.1	49%	0.492	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-36.5	-179.2	-69.8	-14.2	0	0	0	111.4	K398 R468 D489	K398-D491 IonicContact NZ-OD1 3.79Å; K398-D491 PolarHBondContact NZ-OD1 3.42Å; K398-D491 IonicContact NZ-OD2 2.73Å; K398-D491 PolarHBondContact NZ-OD2 3.36Å; R468-D491 VanDerWaalsContact CD-OD2 3.29Å; R468-D491 WeakPolarHBondContact CD-OD2 3.17Å; R468-D491 IonicContact CZ-OD1 2.79Å; R468-D491 IonicContact CZ-OD2 3.5Å; R468-D491 VanDerWaalsContact NE-CG 3.26Å; R468-D491 IonicContact NE-OD1 3.67Å; R468-D491 PolarHBondContact NE-OD1 2.81Å; R468-D491 VanDerWaalsContact NE-OD1 3.15Å; R468-D491 IonicContact NE-OD2 2.73Å; R468-D491 PolarHBondContact NE-OD2 3.42Å; R468-D491 IonicContact NH2-OD1 3.65Å; R468-D491 PolarHBondContact NH2-OD1 3.47Å; R468-D491 IonicContact NH2-OD2 3.42Å; D489-D491 VanDerWaalsContact C-N 3.29Å; D489-D491 PolarHBondContact O-N 2.98Å; D489-D491 PolarHBondContact OD1-N 3.28Å
492	S	95.5	Very high	87	Confident	71 Å²	71	39.7 Å²	39.7	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-8.8	-178.9	71.3	0	0	0	0	115.4	D489 H494	D489-S492 VanDerWaalsContact CB-OG 3.29Å; D489-S492 WeakPolarHBondContact CB-OG 3.31Å; D489-S492 PolarHBondContact OD1-N 3.11Å; D489-S492 PolarHBondContact OD2-OG 3.06Å; S492-H494 VanDerWaalsContact C-N 3.27Å; S492-H494 PolarHBondContact O-N 3.34Å; S492-H494 WeakPolarHBondContact OG-CB 3.26Å
493	D	93.2	Very high	85.6	Confident	71 Å²	71	43.3 Å²	43.3	38%	0.38	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	39	-175.5	-171.9	27	0	0	0	112.5	R442 Y488 D489	R442-D493 IonicContact CZ-OD1 2.66Å; R442-D493 VanDerWaalsContact CZ-OD1 3.22Å; R442-D493 IonicContact CZ-OD2 2.69Å; R442-D493 IonicContact NE-OD1 3.53Å; R442-D493 PolarHBondContact NE-OD1 2.79Å; R442-D493 IonicContact NE-OD2 3.76Å; R442-D493 PolarHBondContact NH2-O 2.87Å; R442-D493 IonicContact NH2-OD1 3.74Å; R442-D493 PolarHBondContact NH2-OD1 3.21Å; R442-D493 IonicContact NH2-OD2 3.68Å; R442-D493 PolarHBondContact NH2-OD2 3.02Å; Y488-D493 WeakPolarHBondContact CE2-OD1 3.46Å; Y488-D493 PolarHBondContact OH-OD1 3.41Å; Y488-D493 VanDerWaalsContact OH-OD1 3.08Å; D489-D493 WeakPolarHBondContact O-CA 3.23Å; D489-D493 PolarHBondContact O-N 3Å
494	H	91.2	Very high	83.9	Confident	96 Å²	96	48.4 Å²	48.4	44%	0.444	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.4	179.7	-176.3	63.6	0	0	0	111.8	Y488 D489 S492	Y488-H494 CarbonylContact C-O 3.56Å; Y488-H494 WeakPolarHBondContact CA-O 3.09Å; D489-H494 HydrophobicContact CB-CB 4.48Å; D489-H494 PolarHBondContact N-O 2.68Å; S492-H494 VanDerWaalsContact C-N 3.27Å; S492-H494 PolarHBondContact O-N 3.34Å; S492-H494 WeakPolarHBondContact OG-CB 3.26Å
495	V	90.8	Very high	82.2	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	177.7	177.3	0	0	0	0	109.3	I453 F486 S487 Y488 I497	I453-V495 HydrophobicContact CG2-CG1 4.37Å; I453-V495 HydrophobicContact CG2-CG2 3.73Å; F486-V495 HydrophobicContact CB-CG1 4.32Å; F486-V495 HydrophobicContact CD2-CG1 4.18Å; S487-V495 WeakPolarHBondContact O-CA 3.49Å; Y488-V495 HydrophobicContact CD2-CG2 3.86Å; V495-I497 HydrophobicContact CG1-CD1 3.84Å
496	D	87.7	Confident	80.1	Confident	89 Å²	89	55.4 Å²	55.4	48%	0.476	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	172.5	-179.7	38.1	0	0	0	110.5	F486 S487 I498	F486-D496 CarbonylContact C-O 3.49Å; F486-D496 VanDerWaalsContact CA-O 3.24Å; F486-D496 WeakPolarHBondContact CA-O 3.4Å; F486-D496 WeakPolarHBondContact CB-O 3.43Å; S487-D496 PolarHBondContact N-O 3.46Å; S487-D496 PolarHBondContact O-N 3.03Å; D496-I498 PolarHBondContact O-N 3.04Å
497	I	86	Confident	78.2	Confident	72 Å²	72	57.7 Å²	57.7	37%	0.369	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	100	-177.6	-54.9	-59.6	0	0	0	109.2	F486 V495 D500	F486-I497 HydrophobicContact CB-CD1 3.74Å; F486-I497 HydrophobicContact CG-CD1 4.49Å; V495-I497 HydrophobicContact CG1-CD1 3.84Å; I497-D500 HydrophobicContact CG2-CB 4.19Å
498	I	85.6	Confident	76.7	Confident	19 Å²	19	63 Å²	63	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-43.9	177.5	-58.2	168.3	0	0	0	110.7	Y471 F485 D496 Y551 N556	Y471-I498 HydrophobicContact CD1-CD1 3.7Å; Y471-I498 HydrophobicContact CE1-CD1 3.62Å; F485-I498 HydrophobicContact CB-CB 4.3Å; F485-I498 HydrophobicContact CD1-CB 3.92Å; F485-I498 HydrophobicContact CD1-CD1 4.06Å; F485-I498 HydrophobicContact CD1-CG2 3.55Å; F485-I498 HydrophobicContact CD2-CD1 4.06Å; F485-I498 HydrophobicContact CE1-CB 4.44Å; F485-I498 HydrophobicContact CE1-CD1 3.87Å; F485-I498 HydrophobicContact CE1-CG2 3.9Å; F485-I498 HydrophobicContact CE2-CD1 3.88Å; F485-I498 HydrophobicContact CG-CB 4.1Å; F485-I498 HydrophobicContact CG-CD1 4.17Å; F485-I498 HydrophobicContact CG-CG2 4.24Å; F485-I498 HydrophobicContact CZ-CD1 3.77Å; F485-I498 WeakPolarHBondContact O-CB 3.33Å; F485-I498 PolarHBondContact O-N 2.79Å; D496-I498 PolarHBondContact O-N 3.04Å; I498-Y551 HydrophobicContact CG2-CE2 4.12Å; I498-Y551 WeakPolarHBondContact CG2-OH 3.27Å; I498-N556 WeakPolarHBondContact CG2-OD1 3.32Å
499	S	80.5	Confident	75.4	Confident	18 Å²	18	64.2 Å²	64.2	13%	0.126	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	132.8	175.8	179.6	0	0	0	0	109.2	D484 F485 G501	D484-S499 CarbonylContact C-O 3.51Å; D484-S499 WeakPolarHBondContact CA-O 3.17Å; F485-S499 PolarHBondContact N-O 3.36Å; F485-S499 PolarHBondContact O-N 2.99Å; S499-G501 VanDerWaalsContact C-N 3.27Å; S499-G501 PolarHBondContact O-N 3.03Å; S499-G501 PolarHBondContact OG-N 3.32Å
500	D	74.2	Confident	74.1	Confident	58 Å²	58	62.2 Å²	62.2	31%	0.31	35%	0.348	S	S	.	.			trans	-87.8	7.1	176.6	54.9	40.5	0	0	0	113.7	K107 I497 T502	K107-D500 VanDerWaalsContact CE-CG 3.41Å; K107-D500 WeakPolarHBondContact CE-OD2 3.37Å; K107-D500 IonicContact NZ-OD1 3.72Å; K107-D500 PolarHBondContact NZ-OD1 2.75Å; K107-D500 IonicContact NZ-OD2 2.88Å; K107-D500 PolarHBondContact NZ-OD2 2.89Å; I497-D500 HydrophobicContact CG2-CB 4.19Å; D500-T502 VanDerWaalsContact C-N 3.27Å; D500-T502 PolarHBondContact O-N 2.75Å; D500-T502 WeakPolarHBondContact OD1-CB 3.42Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.29Å; D500-T502 PolarHBondContact OD1-N 3.02Å; D500-T502 PolarHBondContact OD1-OG1 2.92Å
501	G	67.7	Low	72.6	Confident	11 Å²	11	64.1 Å²	64.1	11%	0.113	36%	0.357	C	S	.	.	S	Bend	trans	78	0.5	179.4	0	0	0	0	0	115.8	N483 S499	N483-G501 VanDerWaalsContact C-CA 3.49Å; N483-G501 PolarHBondContact ND2-O 2.75Å; N483-G501 VanDerWaalsContact O-CA 3.23Å; N483-G501 WeakPolarHBondContact O-CA 3.26Å; N483-G501 WeakPolarHBondContact OD1-CA 3.29Å; N483-G501 PolarHBondContact OD1-O 2.77Å; S499-G501 VanDerWaalsContact C-N 3.27Å; S499-G501 PolarHBondContact O-N 3.03Å; S499-G501 PolarHBondContact OG-N 3.32Å
502	T	57.3	Low	70.9	Confident	54 Å²	54	61.5 Å²	61.5	33%	0.331	34%	0.344	S	S	.	.			trans	-95.7	-14.3	-176.7	69.6	0	0	0	0	114.2	K107 D500 K504	K107-T502 HydrophobicContact CD-CG2 3.65Å; K107-T502 WeakPolarHBondContact CD-OG1 3.33Å; K107-T502 WeakPolarHBondContact CE-OG1 3.48Å; K107-T502 HydrophobicContact CG-CG2 4.14Å; K107-T502 WeakPolarHBondContact CG-OG1 3.32Å; D500-T502 VanDerWaalsContact C-N 3.27Å; D500-T502 PolarHBondContact O-N 2.75Å; D500-T502 WeakPolarHBondContact OD1-CB 3.42Å; D500-T502 WeakPolarHBondContact OD1-CG2 3.29Å; D500-T502 PolarHBondContact OD1-N 3.02Å; D500-T502 PolarHBondContact OD1-OG1 2.92Å; T502-K504 PolarHBondContact O-N 2.69Å
503	K	55.6	Low	69.4	Low	93 Å²	93	58.1 Å²	58.1	40%	0.404	32%	0.321	S	S	.	.			trans	-58.4	97.4	170.2	-70.1	-178.2	-179	171.4	0	109.1	D505	K503-D505 PolarHBondContact O-N 2.99Å
504	K	46.9	Very low	67.8	Low	150 Å²	150	56.4 Å²	56.4	65%	0.652	31%	0.31	S	S	*	.			trans	-75.4	37.3	170	-78.7	-163.8	180	-173.1	0	111.9	W139 T502 S506	W139-K504 HydrophobicContact CH2-CD 4Å; W139-K504 HydrophobicContact CH2-CG 4.49Å; W139-K504 HydrophobicContact CZ3-CD 4.3Å; T502-K504 PolarHBondContact O-N 2.69Å; K504-S506 PolarHBondContact O-N 2.72Å
505	D	49.2	Very low	66.5	Low	73 Å²	73	52.1 Å²	52.1	39%	0.39	29%	0.291	S	S	.	.			trans	-78.3	70.9	159.3	-75.9	-33	0	0	0	106.9	K503 G507 M508	K503-D505 PolarHBondContact O-N 2.99Å; D505-G507 PolarHBondContact O-N 3.02Å; D505-M508 HydrophobicContact CB-CB 4.28Å; D505-M508 HydrophobicContact CB-CG 4.49Å; D505-M508 PolarHBondContact O-N 2.85Å
506	S	47.4	Very low	66	Low	105 Å²	105	51.9 Å²	51.9	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-14.1	-176.5	50.4	0	0	0	0	113.8	K504	K504-S506 PolarHBondContact O-N 2.72Å
507	G	51.6	Low	66.2	Low	52 Å²	52	48.4 Å²	48.4	54%	0.536	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-21.1	174.3	0	0	0	0	0	115.3	D505	D505-G507 PolarHBondContact O-N 3.02Å
508	M	61.9	Low	66.6	Low	123 Å²	123	45.9 Å²	45.9	61%	0.606	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	7.3	-167.8	-58.6	-163	84.2	0	0	114.3	D505 W558	D505-M508 HydrophobicContact CB-CB 4.28Å; D505-M508 HydrophobicContact CB-CG 4.49Å; D505-M508 PolarHBondContact O-N 2.85Å; M508-W558 WeakPolarHBondContact O-CB 3.13Å
509	V	70.2	Confident	67.2	Low	30 Å²	30	45.4 Å²	45.4	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-137.6	152.7	173.9	-68.2	0	0	0	0	110.3	M511 W549 W558	V509-M511 PolarHBondContact O-N 2.66Å; V509-W549 VanDerWaalsContact O-CH2 3.25Å; V509-W549 WeakPolarHBondContact O-CH2 3.45Å; V509-W549 WeakPolarHBondContact O-CZ2 3.34Å; V509-W558 HydrophobicContact CG1-CG 4.24Å
510	P	69.4	Low	68	Low	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-53.9	137.2	171.4	-17.6	26	0	0	0	110.4	F473 W549 W558	F473-P510 HydrophobicContact CE1-CB 3.88Å; F473-P510 HydrophobicContact CE1-CG 3.83Å; F473-P510 HydrophobicContact CZ-CB 3.93Å; F473-P510 HydrophobicContact CZ-CG 3.84Å; P510-W549 HydrophobicContact CB-CD2 4.18Å; P510-W549 HydrophobicContact CB-CG 3.98Å; P510-W549 HydrophobicContact CG-CB 3.77Å; P510-W549 HydrophobicContact CG-CD2 3.86Å; P510-W549 HydrophobicContact CG-CE3 4.3Å; P510-W549 HydrophobicContact CG-CG 3.62Å; P510-W558 HydrophobicContact CG-CD2 4.13Å; P510-W558 HydrophobicContact CG-CE3 3.62Å; P510-W558 HydrophobicContact CG-CH2 3.88Å; P510-W558 HydrophobicContact CG-CZ2 4.35Å; P510-W558 HydrophobicContact CG-CZ3 3.48Å; P510-W558 VanDerWaalsContact CG-CZ3 3.48Å
511	M	66	Low	69.1	Low	59 Å²	59	43 Å²	43	29%	0.291	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-59.1	147	178.3	-68.9	-173.2	-71	0	0	110.9	V509 G513 Q516	V509-M511 PolarHBondContact O-N 2.66Å; M511-G513 PolarHBondContact O-N 2.76Å; M511-Q516 PolarHBondContact O-NE2 3.15Å
512	T	62.1	Low	70.4	Confident	37 Å²	37	42.7 Å²	42.7	23%	0.227	24%	0.239	C	C	.	.	S	Bend	trans	-54.2	122.3	169.3	46.9	0	0	0	0	109.8	N483	N483-T512 HydrophobicContact CB-CG2 3.42Å; N483-T512 VanDerWaalsContact CB-CG2 3.42Å; N483-T512 VanDerWaalsContact CG-CG2 3.41Å
513	G	63.1	Low	72.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	169.4	-176	0	0	0	0	0	112.6	M511 L533	M511-G513 PolarHBondContact O-N 2.76Å; G513-L533 VanDerWaalsContact CA-O 3.27Å; G513-L533 WeakPolarHBondContact CA-O 3.4Å
514	F	58.9	Low	73.9	Confident	36 Å²	36	44.5 Å²	44.5	16%	0.158	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.5	176.5	173.5	-113	0	0	0	109.2	I457 Q476 Y481 Q516 L533	I457-F514 HydrophobicContact CB-CE2 4.24Å; I457-F514 HydrophobicContact CD1-CE2 3.7Å; I457-F514 HydrophobicContact CD1-CZ 4.16Å; I457-F514 HydrophobicContact CG1-CD2 4.47Å; I457-F514 HydrophobicContact CG1-CE2 3.82Å; Q476-F514 HydrophobicContact CB-CD2 4.07Å; Y481-F514 HydrophobicContact CD1-CB 4.3Å; Y481-F514 HydrophobicContact CE1-CB 3.6Å; F514-Q516 PolarHBondContact O-N 3.01Å; F514-L533 HydrophobicContact CB-CD2 4.09Å; F514-L533 HydrophobicContact CD1-CD2 4.49Å
515	T	65.4	Low	76.3	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	62.7	29.5	-176.8	69.8	0	0	0	0	116.2	G458 F585	G458-T515 PolarHBondContact O-N 3.23Å; T515-F585 WeakPolarHBondContact OG1-CB 3.22Å
516	Q	78.5	Confident	78.5	Confident	3 Å²	3	36 Å²	36	1%	0.014	21%	0.208	C	C	.	.			trans	-61.5	143.8	170	-61.9	178.3	-7.5	0	0	109.6	C460 F473 M511 F514 V529 S531	C460-Q516 VanDerWaalsContact SG-CB 3.6Å; C460-Q516 PolarHBondContact SG-O 3.04Å; F473-Q516 VanDerWaalsContact CE1-OE1 3.22Å; M511-Q516 PolarHBondContact O-NE2 3.15Å; F514-Q516 PolarHBondContact O-N 3.01Å; Q516-V529 HydrophobicContact CB-CG1 4.24Å; Q516-S531 PolarHBondContact NE2-OG 3.42Å
517	R	92	Very high	80.8	Confident	16 Å²	16	31.2 Å²	31.2	6%	0.06	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	174.2	-68.5	-63.4	-177.9	-98.3	-0.4	108.3	L530 H587 Q588 L589	R517-L530 PolarHBondContact N-O 3.41Å; R517-L530 PolarHBondContact O-N 2.85Å; R517-H587 PolarHBondContact NE-O 2.84Å; R517-H587 PolarHBondContact NH2-O 3.08Å; R517-Q588 VanDerWaalsContact CD-OE1 3.28Å; R517-L589 HydrophobicContact CB-CB 3.91Å
518	A	95	Very high	82.9	Confident	19 Å²	19	28.8 Å²	28.8	16%	0.157	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.7	177.4	0	0	0	0	0	110.9	C460 L462 I527 H528 V529	C460-A518 HydrophobicContact CB-CB 3.64Å; C460-A518 VanDerWaalsContact SG-CB 3.59Å; L462-A518 HydrophobicContact CD1-CB 3.63Å; L462-A518 HydrophobicContact CG-CB 4.26Å; A518-I527 HydrophobicContact CB-CG2 4.49Å; A518-H528 CarbonylContact C-O 3.59Å; A518-H528 WeakPolarHBondContact CA-O 3.43Å; A518-H528 WeakPolarHBondContact CB-O 3.29Å; A518-V529 HydrophobicContact CB-CG2 3.91Å
519	T	97.3	Very high	84.4	Confident	10 Å²	10	23 Å²	23	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160.8	173.4	54.9	0	0	0	0	107.7	H528 L589 H598	T519-H528 PolarHBondContact N-O 3.11Å; T519-H528 PolarHBondContact O-N 2.91Å; T519-H528 WeakPolarHBondContact OG1-CB 3.22Å; T519-L589 HydrophobicContact CG2-CD2 4.29Å; T519-L589 HydrophobicContact CG2-CG 4.41Å; T519-H598 PolarHBondContact OG1-CD2 2.85Å; T519-H598 PolarHBondContact OG1-NE2 3.39Å
520	I	97.5	Very high	85.5	Confident	24 Å²	24	21.6 Å²	21.6	12%	0.123	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143	-178.5	-166.4	163.9	0	0	0	109.8	L462 H464 E526 I527 I553	L462-I520 HydrophobicContact CB-CB 4.26Å; L462-I520 HydrophobicContact CB-CD1 4.41Å; L462-I520 HydrophobicContact CB-CG2 4.37Å; L462-I520 HydrophobicContact CD1-CB 4.11Å; L462-I520 HydrophobicContact CD2-CB 4.36Å; L462-I520 HydrophobicContact CD2-CG2 4.39Å; L462-I520 HydrophobicContact CG-CB 4.48Å; H464-I520 HydrophobicContact CB-CD1 3.85Å; I520-E526 WeakPolarHBondContact CA-O 3.13Å; I520-I527 HydrophobicContact CB-CG1 4.43Å; I520-I527 HydrophobicContact CD1-CD1 4.3Å; I520-I527 HydrophobicContact CD1-CG1 3.86Å; I520-I527 HydrophobicContact CG1-CG1 3.88Å; I520-I553 HydrophobicContact CD1-CD1 4.37Å
521	D	97	Very high	86.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	99.6	166.1	-170	-35.6	0	0	0	108.4	E523 L524 N525 E526 Y591 K596	D521-E523 PolarHBondContact O-N 2.9Å; D521-E523 WeakPolarHBondContact OD1-CB 3.38Å; D521-E523 PolarHBondContact OD1-N 3.33Å; D521-L524 HydrophobicContact CB-CB 4.1Å; D521-L524 HydrophobicContact CB-CG 4.44Å; D521-L524 PolarHBondContact O-N 3.28Å; D521-L524 PolarHBondContact OD1-N 2.93Å; D521-L524 VanDerWaalsContact OD2-CD1 3.29Å; D521-L524 WeakPolarHBondContact OD2-CD1 3.41Å; D521-L524 WeakPolarHBondContact OD2-CG 3.23Å; D521-N525 WeakPolarHBondContact O-CA 3.33Å; D521-N525 PolarHBondContact O-N 2.82Å; D521-E526 PolarHBondContact N-O 2.87Å; D521-E526 PolarHBondContact O-N 3.33Å; D521-E526 VanDerWaalsContact O-N 3.17Å; D521-Y591 HydrophobicContact CB-CE1 3.84Å; D521-Y591 PolarHBondContact OD2-OH 2.99Å; D521-K596 VanDerWaalsContact CG-NZ 3.27Å; D521-K596 IonicContact OD1-NZ 3.69Å; D521-K596 PolarHBondContact OD1-NZ 3.2Å; D521-K596 VanDerWaalsContact OD1-NZ 3.15Å; D521-K596 VanDerWaalsContact OD2-CD 3.26Å; D521-K596 WeakPolarHBondContact OD2-CD 3.35Å; D521-K596 WeakPolarHBondContact OD2-CE 3.23Å; D521-K596 IonicContact OD2-NZ 2.72Å; D521-K596 PolarHBondContact OD2-NZ 3.49Å
522	P	95.2	Very high	86.7	Confident	6 Å²	6	18.8 Å²	18.8	4%	0.039	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.4	-177.6	30.3	-35.2	0	0	0	113.2	E593	P522-E593 VanDerWaalsContact CD-OE2 3.24Å; P522-E593 WeakPolarHBondContact CD-OE2 3.29Å; P522-E593 WeakPolarHBondContact CG-OE2 3.25Å
523	E	94.6	Very high	87.1	Confident	116 Å²	116	17.5 Å²	17.5	54%	0.542	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-41.9	173.1	-66.8	-56.8	132.4	0	0	111	K466 D521	K466-E523 WeakPolarHBondContact CE-OE1 3.49Å; K466-E523 IonicContact NZ-OE1 3.49Å; K466-E523 PolarHBondContact NZ-OE1 3.49Å; K466-E523 IonicContact NZ-OE2 3.04Å; K466-E523 PolarHBondContact NZ-OE2 2.72Å; D521-E523 PolarHBondContact O-N 2.9Å; D521-E523 WeakPolarHBondContact OD1-CB 3.38Å; D521-E523 PolarHBondContact OD1-N 3.33Å
524	L	93.3	Very high	87.1	Confident	68 Å²	68	17.7 Å²	17.7	36%	0.356	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.3	178	-60.6	-178.6	0	0	0	113.4	D521 E526	D521-L524 HydrophobicContact CB-CB 4.1Å; D521-L524 HydrophobicContact CB-CG 4.44Å; D521-L524 PolarHBondContact O-N 3.28Å; D521-L524 PolarHBondContact OD1-N 2.93Å; D521-L524 VanDerWaalsContact OD2-CD1 3.29Å; D521-L524 WeakPolarHBondContact OD2-CD1 3.41Å; D521-L524 WeakPolarHBondContact OD2-CG 3.23Å; L524-E526 HydrophobicContact CB-CB 4.13Å; L524-E526 HydrophobicContact CB-CG 3.86Å; L524-E526 PolarHBondContact O-N 3.34Å
525	N	95.7	Very high	87	Confident	39 Å²	39	19.5 Å²	19.5	21%	0.209	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	40.9	-168.9	-62	-73.8	0	0	0	111.7	H464 D521 I553 V554	H464-N525 PolarHBondContact NE2-OD1 3.11Å; D521-N525 WeakPolarHBondContact O-CA 3.33Å; D521-N525 PolarHBondContact O-N 2.82Å; N525-I553 HydrophobicContact CB-CB 4.15Å; N525-I553 HydrophobicContact CB-CD1 4.42Å; N525-I553 WeakPolarHBondContact O-CB 3.32Å; N525-I553 VanDerWaalsContact O-CG1 3.27Å; N525-I553 WeakPolarHBondContact O-CG1 3.43Å; N525-I553 PolarHBondContact O-N 3.41Å; N525-V554 HydrophobicContact CB-CG2 3.9Å
526	E	95.6	Very high	86.3	Confident	7 Å²	7	21.9 Å²	21.9	3%	0.033	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.4	-176.3	-71.3	178.1	171.4	0	0	110.5	Y247 I520 D521 L524 H528 I550 Y551 R625	Y247-E526 PolarHBondContact OH-OE1 2.99Å; Y247-E526 PolarHBondContact OH-OE2 2.92Å; I520-E526 WeakPolarHBondContact CA-O 3.13Å; D521-E526 PolarHBondContact N-O 2.87Å; D521-E526 PolarHBondContact O-N 3.33Å; D521-E526 VanDerWaalsContact O-N 3.17Å; L524-E526 HydrophobicContact CB-CB 4.13Å; L524-E526 HydrophobicContact CB-CG 3.86Å; L524-E526 PolarHBondContact O-N 3.34Å; E526-H528 IonicContact OE2-NE2 3.09Å; E526-H528 PolarHBondContact OE2-NE2 2.92Å; E526-I550 HydrophobicContact CB-CG2 4.01Å; E526-I550 HydrophobicContact CG-CG2 4.01Å; E526-Y551 CarbonylContact C-O 3.6Å; E526-Y551 WeakPolarHBondContact CA-O 3.15Å; E526-R625 IonicContact OE1-CZ 2.75Å; E526-R625 IonicContact OE1-NH1 3.4Å; E526-R625 IonicContact OE1-NH2 3.06Å; E526-R625 PolarHBondContact OE1-NH2 2.86Å
527	I	96.6	Very high	84.9	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	169.8	-70.2	167.3	0	0	0	108.6	L462 Y471 F485 A518 I520 V529 I550 Y551 I553	L462-I527 HydrophobicContact CD1-CB 4.33Å; L462-I527 HydrophobicContact CD1-CD1 4.46Å; L462-I527 HydrophobicContact CD1-CG1 4.05Å; L462-I527 HydrophobicContact CD1-CG2 3.53Å; Y471-I527 HydrophobicContact CD1-CD1 3.64Å; Y471-I527 HydrophobicContact CD2-CD1 4.24Å; Y471-I527 HydrophobicContact CE1-CD1 4.29Å; Y471-I527 HydrophobicContact CG-CD1 3.6Å; F485-I527 HydrophobicContact CE2-CD1 4.46Å; F485-I527 HydrophobicContact CZ-CD1 3.92Å; A518-I527 HydrophobicContact CB-CG2 4.49Å; I520-I527 HydrophobicContact CB-CG1 4.43Å; I520-I527 HydrophobicContact CD1-CD1 4.3Å; I520-I527 HydrophobicContact CD1-CG1 3.86Å; I520-I527 HydrophobicContact CG1-CG1 3.88Å; I527-V529 HydrophobicContact CG2-CG2 3.96Å; I527-I550 CarbonylContact O-C 3.58Å; I527-I550 WeakPolarHBondContact O-CA 3.26Å; I527-Y551 HydrophobicContact CB-CD1 4.45Å; I527-Y551 HydrophobicContact CD1-CD1 4.17Å; I527-Y551 PolarHBondContact N-O 2.83Å; I527-Y551 PolarHBondContact O-N 3.01Å; I527-I553 HydrophobicContact CD1-CD1 4.14Å; I527-I553 HydrophobicContact CD1-CG1 4.26Å; I527-I553 HydrophobicContact CG1-CD1 4.2Å; I527-I553 HydrophobicContact CG1-CG1 4.46Å
528	H	95.9	Very high	82.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122	-177.9	-59.4	152.1	0	0	0	110.1	A518 T519 E526 F548 W549 H598	A518-H528 CarbonylContact C-O 3.59Å; A518-H528 WeakPolarHBondContact CA-O 3.43Å; A518-H528 WeakPolarHBondContact CB-O 3.29Å; T519-H528 PolarHBondContact N-O 3.11Å; T519-H528 PolarHBondContact O-N 2.91Å; T519-H528 WeakPolarHBondContact OG1-CB 3.22Å; E526-H528 IonicContact OE2-NE2 3.09Å; E526-H528 PolarHBondContact OE2-NE2 2.92Å; H528-F548 HydrophobicContact CB-CE1 3.87Å; H528-F548 HydrophobicContact CB-CZ 3.68Å; H528-W549 CarbonylContact C-O 3.52Å; H528-W549 WeakPolarHBondContact CA-O 3.48Å; H528-H598 AromaticContact CG-CE1 3.97Å; H528-H598 AromaticContact CG-NE2 3.87Å; H528-H598 AromaticContact ND1-CE1 3.28Å; H528-H598 PolarHBondContact ND1-CE1 2.9Å; H528-H598 VanDerWaalsContact ND1-CE1 3.28Å; H528-H598 AromaticContact ND1-NE2 3.33Å; H528-H598 PolarHBondContact ND1-NE2 3.31Å
529	V	93.9	Very high	80.6	Confident	1 Å²	1	44 Å²	44	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.7	-177.2	-174.7	0	0	0	0	110.8	Q516 A518 I527 F548 W549 W558	Q516-V529 HydrophobicContact CB-CG1 4.24Å; A518-V529 HydrophobicContact CB-CG2 3.91Å; I527-V529 HydrophobicContact CG2-CG2 3.96Å; V529-F548 WeakPolarHBondContact O-CA 2.92Å; V529-W549 PolarHBondContact N-O 2.78Å; V529-W549 PolarHBondContact O-N 2.73Å; V529-W558 HydrophobicContact CB-CZ3 4.36Å; V529-W558 HydrophobicContact CG2-CH2 3.72Å; V529-W558 HydrophobicContact CG2-CZ3 3.78Å
530	L	93.1	Very high	78.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.1	165.2	179.2	59.6	0	0	0	109.2	R517 N546 F548 L589 L600	R517-L530 PolarHBondContact N-O 3.41Å; R517-L530 PolarHBondContact O-N 2.85Å; L530-N546 HydrophobicContact CD1-CB 4.36Å; L530-F548 HydrophobicContact CB-CD2 3.96Å; L530-F548 HydrophobicContact CB-CE2 4.28Å; L530-F548 HydrophobicContact CD1-CD2 4.16Å; L530-L589 HydrophobicContact CB-CD2 3.98Å; L530-L589 HydrophobicContact CD2-CD1 4.28Å; L530-L589 HydrophobicContact CD2-CD2 4.48Å; L530-L600 HydrophobicContact CD2-CD1 4.05Å; L530-L600 HydrophobicContact CD2-CD2 4.28Å
531	S	84.4	Confident	76.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132	173.3	-179.8	0	0	0	0	109.8	Q516 N546 S547	Q516-S531 PolarHBondContact NE2-OG 3.42Å; S531-N546 CarbonylContact O-C 3.54Å; S531-N546 VanDerWaalsContact O-CA 3.3Å; S531-N546 WeakPolarHBondContact O-CA 3.26Å; S531-S547 PolarHBondContact N-O 2.87Å; S531-S547 PolarHBondContact O-N 3.36Å
532	G	74.9	Confident	74.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-28.8	-175.7	0	0	0	0	0	115.5	V544 R545 R584	G532-V544 CarbonylContact O-C 3.57Å; G532-V544 WeakPolarHBondContact O-CA 3.26Å; G532-V544 WeakPolarHBondContact O-CG1 3.27Å; G532-R545 CarbonylContact C-O 3.43Å; G532-R545 VanDerWaalsContact C-O 3.3Å; G532-R545 WeakPolarHBondContact CA-O 3.38Å; G532-R545 PolarHBondContact O-N 2.73Å; G532-R545 VanDerWaalsContact O-O 3.11Å; G532-R584 VanDerWaalsContact CA-O 3.24Å; G532-R584 WeakPolarHBondContact CA-O 3.48Å
533	L	71.3	Confident	72.9	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.5	177.7	-167.3	93.9	0	0	0	109.2	G513 F514 V544 F585	G513-L533 VanDerWaalsContact CA-O 3.27Å; G513-L533 WeakPolarHBondContact CA-O 3.4Å; F514-L533 HydrophobicContact CB-CD2 4.09Å; F514-L533 HydrophobicContact CD1-CD2 4.49Å; L533-V544 HydrophobicContact CD1-CG2 4Å; L533-F585 HydrophobicContact CB-CB 4.15Å; L533-F585 HydrophobicContact CD1-CB 4.42Å; L533-F585 HydrophobicContact CD1-CD1 4.05Å; L533-F585 HydrophobicContact CD1-CG 4.24Å
534	S	62.7	Low	71.8	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.028	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131	173.2	66.3	0	0	0	0	110.4	N543	S534-N543 PolarHBondContact N-O 2.71Å; S534-N543 PolarHBondContact O-N 3.07Å; S534-N543 VanDerWaalsContact O-O 3.09Å; S534-N543 PolarHBondContact OG-O 2.71Å
535	K	56.7	Low	71.1	Confident	74 Å²	74	63.5 Å²	63.5	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.7	160.4	-87.2	-168	-177.1	159	0	108.2	Y481 K537 E542	Y481-K535 HydrophobicContact CD2-CD 4.42Å; Y481-K535 HydrophobicContact CE2-CD 3.52Å; Y481-K535 HydrophobicContact CE2-CG 4.34Å; Y481-K535 WeakPolarHBondContact OH-CD 3.29Å; Y481-K535 VanDerWaalsContact OH-CE 3.31Å; Y481-K535 WeakPolarHBondContact OH-CE 3.4Å; Y481-K535 PolarHBondContact OH-NZ 2.85Å; Y481-K535 VanDerWaalsContact OH-NZ 3.11Å; K535-K537 PolarHBondContact O-N 3.47Å; K535-E542 HydrophobicContact CD-CG 4.24Å; K535-E542 WeakPolarHBondContact CE-OE1 3.23Å; K535-E542 HydrophobicContact CG-CG 3.87Å; K535-E542 IonicContact NZ-OE1 3.85Å; K535-E542 PolarHBondContact NZ-OE1 2.91Å
536	D	50.8	Low	70.7	Confident	56 Å²	56	61.6 Å²	61.6	30%	0.299	27%	0.272	S	S	.	.			trans	-71.5	126.1	163.5	-163.2	-20.7	0	0	0	107.7	E538 K539	D536-E538 PolarHBondContact O-N 3.12Å; D536-E538 WeakPolarHBondContact OD1-CB 3.44Å; D536-E538 PolarHBondContact OD1-N 3.05Å; D536-K539 HydrophobicContact CB-CB 4.31Å
537	K	49.9	Very low	70.3	Confident	204 Å²	204	61.4 Å²	61.4	89%	0.887	27%	0.271	S	S	*	.	S	Bend	trans	-70.6	-22.2	175.8	-77	-173.9	177.1	179	0	111.3	K535	K535-K537 PolarHBondContact O-N 3.47Å
538	E	48.5	Very low	70.1	Confident	181 Å²	181	61.2 Å²	61.2	85%	0.846	27%	0.27	S	S	*	.	S	Bend	trans	-82.4	-29.1	-177	-61.4	-173.9	174.6	0	0	112.3	D536	D536-E538 PolarHBondContact O-N 3.12Å; D536-E538 WeakPolarHBondContact OD1-CB 3.44Å; D536-E538 PolarHBondContact OD1-N 3.05Å
539	K	48.5	Very low	69.9	Low	117 Å²	117	61.3 Å²	61.3	51%	0.509	27%	0.27	S	S	.	.	S	Bend	trans	-108.6	128.8	176.6	-62.5	-174.1	178.9	-173.9	0	109.6	D536 E541	D536-K539 HydrophobicContact CB-CB 4.31Å; K539-E541 PolarHBondContact O-N 3.08Å
540	R	50.2	Low	69.9	Low	264 Å²	264	61.4 Å²	61.4	100%	0.996	27%	0.27	S	S	*	.	S	Bend	trans	-63.4	-5.2	178.5	-73.9	-176.2	177.7	-177.3	-0.2	114.3
541	E	51.4	Low	69.8	Low	139 Å²	139	61.7 Å²	61.7	65%	0.65	27%	0.272	S	S	*	.	S	Bend	trans	-100.8	129.1	-173.9	-67.1	176.8	172.4	0	0	111.7	K539 N543	K539-E541 PolarHBondContact O-N 3.08Å; E541-N543 PolarHBondContact O-N 2.87Å; E541-N543 VanDerWaalsContact O-N 3.14Å
542	E	57.2	Low	70.2	Confident	111 Å²	111	62.9 Å²	62.9	52%	0.519	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	106	167.9	-72.2	179.7	-176.9	0	0	108.8	K535	K535-E542 HydrophobicContact CD-CG 4.24Å; K535-E542 WeakPolarHBondContact CE-OE1 3.23Å; K535-E542 HydrophobicContact CG-CG 3.87Å; K535-E542 IonicContact NZ-OE1 3.85Å; K535-E542 PolarHBondContact NZ-OE1 2.91Å
543	N	66.1	Low	71	Confident	27 Å²	27	63.9 Å²	63.9	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.8	176.9	-75.7	-32.9	0	0	0	109.5	S534 E541 R545	S534-N543 PolarHBondContact N-O 2.71Å; S534-N543 PolarHBondContact O-N 3.07Å; S534-N543 VanDerWaalsContact O-O 3.09Å; S534-N543 PolarHBondContact OG-O 2.71Å; E541-N543 PolarHBondContact O-N 2.87Å; E541-N543 VanDerWaalsContact O-N 3.14Å; N543-R545 HydrophobicContact CB-CG 4.47Å; N543-R545 PolarHBondContact O-N 3.07Å
544	V	70.8	Confident	71.8	Confident	12 Å²	12	68.6 Å²	68.6	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.9	170.2	-171.3	0	0	0	0	107.7	G532 L533 Q566 P583 F585	G532-V544 CarbonylContact O-C 3.57Å; G532-V544 WeakPolarHBondContact O-CA 3.26Å; G532-V544 WeakPolarHBondContact O-CG1 3.27Å; L533-V544 HydrophobicContact CD1-CG2 4Å; V544-Q566 PolarHBondContact O-NE2 3.06Å; V544-P583 HydrophobicContact CB-CB 4.15Å; V544-P583 VanDerWaalsContact CG1-C 3.45Å; V544-P583 HydrophobicContact CG1-CB 3.63Å; V544-P583 VanDerWaalsContact O-CB 3.25Å; V544-P583 WeakPolarHBondContact O-CB 3.37Å; V544-F585 HydrophobicContact CG2-CD1 4.44Å
545	R	79.2	Confident	72.7	Confident	80 Å²	80	74.5 Å²	74.5	30%	0.302	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.1	179.6	-67.9	-174.4	-178.3	-175.9	-1.4	108.6	G532 N543	G532-R545 CarbonylContact C-O 3.43Å; G532-R545 VanDerWaalsContact C-O 3.3Å; G532-R545 WeakPolarHBondContact CA-O 3.38Å; G532-R545 PolarHBondContact O-N 2.73Å; G532-R545 VanDerWaalsContact O-O 3.11Å; N543-R545 HydrophobicContact CB-CG 4.47Å; N543-R545 PolarHBondContact O-N 3.07Å
546	N	86.8	Confident	74	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.2	167.4	-71.3	-13.2	0	0	0	109.1	L530 S531 Y562 N564 P581 C582 P583 R584	L530-N546 HydrophobicContact CD1-CB 4.36Å; S531-N546 CarbonylContact O-C 3.54Å; S531-N546 VanDerWaalsContact O-CA 3.3Å; S531-N546 WeakPolarHBondContact O-CA 3.26Å; N546-Y562 HydrophobicContact CB-CE2 4.15Å; N546-N564 HydrophobicContact CB-CB 4.38Å; N546-N564 PolarHBondContact O-N 2.69Å; N546-P581 PolarHBondContact ND2-O 3.07Å; N546-C582 VanDerWaalsContact ND2-C 3.34Å; N546-C582 PolarHBondContact ND2-O 3.19Å; N546-P583 WeakPolarHBondContact OD1-CA 3.35Å; N546-R584 PolarHBondContact OD1-N 3.44Å
547	S	88.4	Confident	75.5	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.2	163.7	63.3	0	0	0	0	109.4	S531 W549 Y562	S531-S547 PolarHBondContact N-O 2.87Å; S531-S547 PolarHBondContact O-N 3.36Å; S547-W549 PolarHBondContact OG-NE1 2.8Å; S547-Y562 CarbonylContact C-O 3.55Å; S547-Y562 VanDerWaalsContact CA-O 3.23Å; S547-Y562 WeakPolarHBondContact CA-O 3.42Å
548	F	91.7	Very high	77.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.7	179.6	-161.8	-79.5	0	0	0	110.2	H528 V529 L530 I550 V561 Y562 L589 H598 L621 L623	H528-F548 HydrophobicContact CB-CE1 3.87Å; H528-F548 HydrophobicContact CB-CZ 3.68Å; V529-F548 WeakPolarHBondContact O-CA 2.92Å; L530-F548 HydrophobicContact CB-CD2 3.96Å; L530-F548 HydrophobicContact CB-CE2 4.28Å; L530-F548 HydrophobicContact CD1-CD2 4.16Å; F548-I550 HydrophobicContact CE1-CG1 4.27Å; F548-V561 HydrophobicContact CD1-CB 4.27Å; F548-V561 HydrophobicContact CD1-CG2 4.32Å; F548-V561 PolarHBondContact O-N 2.81Å; F548-Y562 HydrophobicContact CB-CD1 3.35Å; F548-Y562 HydrophobicContact CB-CE1 3.17Å; F548-Y562 HydrophobicContact CB-CG 4.38Å; F548-Y562 HydrophobicContact CD2-CE1 4.29Å; F548-Y562 HydrophobicContact CG-CD1 4.34Å; F548-Y562 HydrophobicContact CG-CE1 4.03Å; F548-Y562 PolarHBondContact N-O 3.08Å; F548-Y562 PolarHBondContact O-N 2.87Å; F548-L589 HydrophobicContact CE2-CD2 4.2Å; F548-H598 AromaticContact CZ-CE1 3.8Å; F548-H598 AromaticContact CZ-NE2 3.93Å; F548-L621 HydrophobicContact CD2-CD2 3.73Å; F548-L621 HydrophobicContact CE1-CD2 4.38Å; F548-L621 HydrophobicContact CE2-CD2 3.36Å; F548-L621 HydrophobicContact CG-CD2 4.36Å; F548-L621 HydrophobicContact CZ-CD2 3.71Å; F548-L623 HydrophobicContact CD1-CD2 4.18Å; F548-L623 HydrophobicContact CE1-CD1 3.75Å; F548-L623 HydrophobicContact CE1-CD2 3.8Å; F548-L623 HydrophobicContact CE1-CG 4.34Å; F548-L623 HydrophobicContact CZ-CD1 4.17Å; F548-L623 HydrophobicContact CZ-CD2 4.31Å
549	W	91.5	Very high	79	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.011	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149	-172.9	-64.3	79.8	0	0	0	110.3	V509 P510 H528 V529 S547 W558 S559 C560 K563	V509-W549 VanDerWaalsContact O-CH2 3.25Å; V509-W549 WeakPolarHBondContact O-CH2 3.45Å; V509-W549 WeakPolarHBondContact O-CZ2 3.34Å; P510-W549 HydrophobicContact CB-CD2 4.18Å; P510-W549 HydrophobicContact CB-CG 3.98Å; P510-W549 HydrophobicContact CG-CB 3.77Å; P510-W549 HydrophobicContact CG-CD2 3.86Å; P510-W549 HydrophobicContact CG-CE3 4.3Å; P510-W549 HydrophobicContact CG-CG 3.62Å; H528-W549 CarbonylContact C-O 3.52Å; H528-W549 WeakPolarHBondContact CA-O 3.48Å; V529-W549 PolarHBondContact N-O 2.78Å; V529-W549 PolarHBondContact O-N 2.73Å; S547-W549 PolarHBondContact OG-NE1 2.8Å; W549-W558 HydrophobicContact CB-CE3 3.92Å; W549-W558 HydrophobicContact CB-CZ3 3.98Å; W549-S559 CarbonylContact C-O 3.58Å; W549-S559 VanDerWaalsContact CA-O 3.31Å; W549-S559 WeakPolarHBondContact CA-O 3.25Å; W549-C560 HydrophobicContact CD2-CB 3.91Å; W549-C560 HydrophobicContact CE3-CB 3.66Å; W549-C560 HydrophobicContact CH2-CB 3.72Å; W549-C560 HydrophobicContact CZ2-CB 3.96Å; W549-C560 HydrophobicContact CZ3-CB 3.57Å; W549-K563 VanDerWaalsContact CZ2-CE 3.48Å
550	I	92.9	Very high	80.8	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.3	174.1	-58.5	178.9	0	0	0	107.8	Y247 E526 I527 F548 W558 S559 V561 L623	Y247-I550 HydrophobicContact CD2-CD1 3.18Å; Y247-I550 HydrophobicContact CE2-CD1 3.46Å; Y247-I550 VanDerWaalsContact CE2-CD1 3.46Å; Y247-I550 HydrophobicContact CG-CD1 3.94Å; E526-I550 HydrophobicContact CB-CG2 4.01Å; E526-I550 HydrophobicContact CG-CG2 4.01Å; I527-I550 CarbonylContact O-C 3.58Å; I527-I550 WeakPolarHBondContact O-CA 3.26Å; F548-I550 HydrophobicContact CE1-CG1 4.27Å; I550-W558 CarbonylContact O-C 3.58Å; I550-W558 WeakPolarHBondContact O-CA 3.24Å; I550-S559 PolarHBondContact N-O 3.35Å; I550-S559 PolarHBondContact O-N 3.01Å; I550-S559 PolarHBondContact O-OG 2.71Å; I550-V561 HydrophobicContact CB-CG2 4.47Å; I550-V561 HydrophobicContact CD1-CG2 3.45Å; I550-V561 VanDerWaalsContact CD1-CG2 3.45Å; I550-V561 HydrophobicContact CG1-CG2 3.57Å; I550-L623 HydrophobicContact CD1-CD1 3.91Å
551	Y	93	Very high	82.6	Confident	6 Å²	6	45.7 Å²	45.7	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.8	166.2	175.9	-105.2	0	0	0	109.4	F485 I498 E526 I527 I553 N556 S557 W558	F485-Y551 HydrophobicContact CD1-CE2 4.42Å; F485-Y551 AromaticContact CE1-CD1 3.52Å; F485-Y551 HydrophobicContact CE1-CD1 3.52Å; F485-Y551 AromaticContact CE1-CD2 3.82Å; F485-Y551 HydrophobicContact CE1-CD2 3.82Å; F485-Y551 AromaticContact CE1-CE1 3.46Å; F485-Y551 HydrophobicContact CE1-CE1 3.46Å; F485-Y551 VanDerWaalsContact CE1-CE1 3.46Å; F485-Y551 AromaticContact CE1-CE2 3.79Å; F485-Y551 HydrophobicContact CE1-CE2 3.79Å; F485-Y551 AromaticContact CE1-CG 3.68Å; F485-Y551 HydrophobicContact CE1-CG 3.68Å; F485-Y551 AromaticContact CE1-CZ 3.62Å; F485-Y551 AromaticContact CZ-CD1 3.71Å; F485-Y551 HydrophobicContact CZ-CD1 3.71Å; F485-Y551 AromaticContact CZ-CE1 3.75Å; F485-Y551 HydrophobicContact CZ-CE1 3.75Å; F485-Y551 HydrophobicContact CZ-CG 4.23Å; I498-Y551 HydrophobicContact CG2-CE2 4.12Å; I498-Y551 WeakPolarHBondContact CG2-OH 3.27Å; E526-Y551 CarbonylContact C-O 3.6Å; E526-Y551 WeakPolarHBondContact CA-O 3.15Å; I527-Y551 HydrophobicContact CB-CD1 4.45Å; I527-Y551 HydrophobicContact CD1-CD1 4.17Å; I527-Y551 PolarHBondContact N-O 2.83Å; I527-Y551 PolarHBondContact O-N 3.01Å; Y551-I553 HydrophobicContact CD1-CG1 3.85Å; Y551-I553 HydrophobicContact CE1-CB 4.16Å; Y551-I553 HydrophobicContact CE1-CG1 3.74Å; Y551-N556 PolarHBondContact OH-OD1 3.46Å; Y551-S557 WeakPolarHBondContact CA-O 3.49Å; Y551-W558 AromaticContact CD2-CD1 3.69Å; Y551-W558 AromaticContact CD2-CD2 3.89Å; Y551-W558 HydrophobicContact CD2-CD2 3.89Å; Y551-W558 AromaticContact CD2-CE2 3.62Å; Y551-W558 AromaticContact CD2-CG 3.95Å; Y551-W558 HydrophobicContact CD2-CG 3.95Å; Y551-W558 HydrophobicContact CD2-CZ2 4.16Å; Y551-W558 AromaticContact CD2-NE1 3.48Å; Y551-W558 HydrophobicContact CG-CD2 4.24Å; Y551-W558 AromaticContact CG-CE2 3.98Å; Y551-W558 HydrophobicContact CG-CH2 4.45Å; Y551-W558 HydrophobicContact CG-CZ2 4.1Å
552	D	91	Very high	84.2	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	113.9	170.1	-177.9	-39	0	0	0	108.1	V554 R555 N556 S557	D552-V554 VanDerWaalsContact C-N 3.34Å; D552-V554 PolarHBondContact OD1-N 3.44Å; D552-R555 HydrophobicContact CB-CB 4.09Å; D552-R555 HydrophobicContact CB-CG 4.5Å; D552-R555 PolarHBondContact OD1-N 3.14Å; D552-R555 WeakPolarHBondContact OD2-CD 3.48Å; D552-R555 WeakPolarHBondContact OD2-CG 3.45Å; D552-R555 IonicContact OD2-NE 3.87Å; D552-R555 PolarHBondContact OD2-NE 3.16Å; D552-N556 WeakPolarHBondContact O-CA 3.3Å; D552-N556 PolarHBondContact O-N 2.81Å; D552-S557 PolarHBondContact N-O 3.34Å; D552-S557 PolarHBondContact O-N 3.25Å
553	I	92.3	Very high	85.5	Confident	22 Å²	22	39.6 Å²	39.6	11%	0.113	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-37.8	-176	-62	169.5	0	0	0	110.8	Y471 I520 N525 I527 Y551	Y471-I553 HydrophobicContact CE1-CD1 4.41Å; Y471-I553 HydrophobicContact CE1-CG1 4.4Å; Y471-I553 HydrophobicContact CE1-CG2 4.43Å; Y471-I553 HydrophobicContact CE2-CD1 4.33Å; Y471-I553 WeakPolarHBondContact OH-CG2 3.46Å; I520-I553 HydrophobicContact CD1-CD1 4.37Å; N525-I553 HydrophobicContact CB-CB 4.15Å; N525-I553 HydrophobicContact CB-CD1 4.42Å; N525-I553 WeakPolarHBondContact O-CB 3.32Å; N525-I553 VanDerWaalsContact O-CG1 3.27Å; N525-I553 WeakPolarHBondContact O-CG1 3.43Å; N525-I553 PolarHBondContact O-N 3.41Å; I527-I553 HydrophobicContact CD1-CD1 4.14Å; I527-I553 HydrophobicContact CD1-CG1 4.26Å; I527-I553 HydrophobicContact CG1-CD1 4.2Å; I527-I553 HydrophobicContact CG1-CG1 4.46Å; Y551-I553 HydrophobicContact CD1-CG1 3.85Å; Y551-I553 HydrophobicContact CE1-CB 4.16Å; Y551-I553 HydrophobicContact CE1-CG1 3.74Å
554	V	87.8	Confident	86.1	Confident	110 Å²	110	38.7 Å²	38.7	67%	0.667	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-42.8	-176.8	179	0	0	0	0	110.7	N525 D552 N556	N525-V554 HydrophobicContact CB-CG2 3.9Å; D552-V554 VanDerWaalsContact C-N 3.34Å; D552-V554 PolarHBondContact OD1-N 3.44Å; V554-N556 VanDerWaalsContact C-N 3.29Å
555	R	82.3	Confident	85.9	Confident	127 Å²	127	43.7 Å²	43.7	48%	0.479	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.4	178	-61.7	-177.4	-171.2	-177.4	6.1	113.2	D552 S557	D552-R555 HydrophobicContact CB-CB 4.09Å; D552-R555 HydrophobicContact CB-CG 4.5Å; D552-R555 PolarHBondContact OD1-N 3.14Å; D552-R555 WeakPolarHBondContact OD2-CD 3.48Å; D552-R555 WeakPolarHBondContact OD2-CG 3.45Å; D552-R555 IonicContact OD2-NE 3.87Å; D552-R555 PolarHBondContact OD2-NE 3.16Å; R555-S557 VanDerWaalsContact C-N 3.29Å; R555-S557 PolarHBondContact O-N 2.8Å
556	N	83.2	Confident	84.7	Confident	93 Å²	93	44.6 Å²	44.6	50%	0.497	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	53.2	-172.5	-173.4	6.7	0	0	0	111.5	I498 Y551 D552 V554	I498-N556 WeakPolarHBondContact CG2-OD1 3.32Å; Y551-N556 PolarHBondContact OH-OD1 3.46Å; D552-N556 WeakPolarHBondContact O-CA 3.3Å; D552-N556 PolarHBondContact O-N 2.81Å; V554-N556 VanDerWaalsContact C-N 3.29Å
557	S	83	Confident	82.8	Confident	51 Å²	51	49 Å²	49	36%	0.357	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.9	-173.1	71.8	0	0	0	0	111.9	Y551 D552 R555	Y551-S557 WeakPolarHBondContact CA-O 3.49Å; D552-S557 PolarHBondContact N-O 3.34Å; D552-S557 PolarHBondContact O-N 3.25Å; R555-S557 VanDerWaalsContact C-N 3.29Å; R555-S557 PolarHBondContact O-N 2.8Å
558	W	86.1	Confident	80.8	Confident	26 Å²	26	52.1 Å²	52.1	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.3	174.8	-76.1	96.6	0	0	0	110.3	F473 F485 M508 V509 P510 V529 W549 I550 Y551	F473-W558 HydrophobicContact CD1-CH2 4.32Å; F473-W558 HydrophobicContact CD2-CZ2 4.32Å; F473-W558 HydrophobicContact CE1-CH2 4.29Å; F473-W558 HydrophobicContact CE1-CZ2 4.5Å; F473-W558 HydrophobicContact CE2-CZ2 4.25Å; F473-W558 HydrophobicContact CG-CZ2 4.47Å; F473-W558 HydrophobicContact CZ-CZ2 4.34Å; F485-W558 AromaticContact CD1-CZ2 3.81Å; F485-W558 HydrophobicContact CD1-CZ2 3.81Å; F485-W558 AromaticContact CE1-CZ2 3.69Å; F485-W558 HydrophobicContact CE1-CZ2 3.69Å; F485-W558 HydrophobicContact CZ-CZ2 4.39Å; M508-W558 WeakPolarHBondContact O-CB 3.13Å; V509-W558 HydrophobicContact CG1-CG 4.24Å; P510-W558 HydrophobicContact CG-CD2 4.13Å; P510-W558 HydrophobicContact CG-CE3 3.62Å; P510-W558 HydrophobicContact CG-CH2 3.88Å; P510-W558 HydrophobicContact CG-CZ2 4.35Å; P510-W558 HydrophobicContact CG-CZ3 3.48Å; P510-W558 VanDerWaalsContact CG-CZ3 3.48Å; V529-W558 HydrophobicContact CB-CZ3 4.36Å; V529-W558 HydrophobicContact CG2-CH2 3.72Å; V529-W558 HydrophobicContact CG2-CZ3 3.78Å; W549-W558 HydrophobicContact CB-CE3 3.92Å; W549-W558 HydrophobicContact CB-CZ3 3.98Å; I550-W558 CarbonylContact O-C 3.58Å; I550-W558 WeakPolarHBondContact O-CA 3.24Å; Y551-W558 AromaticContact CD2-CD1 3.69Å; Y551-W558 AromaticContact CD2-CD2 3.89Å; Y551-W558 HydrophobicContact CD2-CD2 3.89Å; Y551-W558 AromaticContact CD2-CE2 3.62Å; Y551-W558 AromaticContact CD2-CG 3.95Å; Y551-W558 HydrophobicContact CD2-CG 3.95Å; Y551-W558 HydrophobicContact CD2-CZ2 4.16Å; Y551-W558 AromaticContact CD2-NE1 3.48Å; Y551-W558 HydrophobicContact CG-CD2 4.24Å; Y551-W558 AromaticContact CG-CE2 3.98Å; Y551-W558 HydrophobicContact CG-CH2 4.45Å; Y551-W558 HydrophobicContact CG-CZ2 4.1Å
559	S	84.9	Confident	78.7	Confident	55 Å²	55	57.8 Å²	57.8	39%	0.385	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.9	170.1	57.3	0	0	0	0	109.8	W549 I550	W549-S559 CarbonylContact C-O 3.58Å; W549-S559 VanDerWaalsContact CA-O 3.31Å; W549-S559 WeakPolarHBondContact CA-O 3.25Å; I550-S559 PolarHBondContact N-O 3.35Å; I550-S559 PolarHBondContact O-N 3.01Å; I550-S559 PolarHBondContact O-OG 2.71Å
560	C	87	Confident	76.6	Confident	45 Å²	45	66.1 Å²	66.1	30%	0.304	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.7	172.9	-174.3	0	0	0	0	108.8	W549 K563	W549-C560 HydrophobicContact CD2-CB 3.91Å; W549-C560 HydrophobicContact CE3-CB 3.66Å; W549-C560 HydrophobicContact CH2-CB 3.72Å; W549-C560 HydrophobicContact CZ2-CB 3.96Å; W549-C560 HydrophobicContact CZ3-CB 3.57Å; C560-K563 WeakPolarHBondContact SG-CE 3.33Å; C560-K563 WeakPolarHBondContact SG-CG 3.39Å
561	V	88.3	Confident	74	Confident	22 Å²	22	72.5 Å²	72.5	13%	0.133	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-42.7	179.7	176.1	0	0	0	0	111.1	P249 F548 I550 L623	P249-V561 HydrophobicContact CB-CG1 4.33Å; P249-V561 HydrophobicContact CG-CG1 4.43Å; F548-V561 HydrophobicContact CD1-CB 4.27Å; F548-V561 HydrophobicContact CD1-CG2 4.32Å; F548-V561 PolarHBondContact O-N 2.81Å; I550-V561 HydrophobicContact CB-CG2 4.47Å; I550-V561 HydrophobicContact CD1-CG2 3.45Å; I550-V561 VanDerWaalsContact CD1-CG2 3.45Å; I550-V561 HydrophobicContact CG1-CG2 3.57Å; V561-L623 HydrophobicContact CG1-CD2 4.13Å
562	Y	85.5	Confident	71.8	Confident	22 Å²	22	80.3 Å²	80.3	9%	0.086	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	157.5	174.1	86.8	-92.2	0	0	0	112.7	P249 W251 N546 S547 F548	P249-Y562 HydrophobicContact CB-CD1 3.92Å; P249-Y562 HydrophobicContact CG-CD1 3.96Å; P249-Y562 HydrophobicContact CG-CG 4.09Å; W251-Y562 AromaticContact CE2-CE1 3.98Å; W251-Y562 AromaticContact CZ2-CE1 3.82Å; W251-Y562 HydrophobicContact CZ2-CE1 3.82Å; W251-Y562 AromaticContact CZ2-CZ 3.87Å; W251-Y562 VanDerWaalsContact CZ2-OH 3.24Å; W251-Y562 WeakPolarHBondContact CZ2-OH 3.49Å; W251-Y562 AromaticContact NE1-CE1 3.51Å; W251-Y562 AromaticContact NE1-CZ 3.57Å; N546-Y562 HydrophobicContact CB-CE2 4.15Å; S547-Y562 CarbonylContact C-O 3.55Å; S547-Y562 VanDerWaalsContact CA-O 3.23Å; S547-Y562 WeakPolarHBondContact CA-O 3.42Å; F548-Y562 HydrophobicContact CB-CD1 3.35Å; F548-Y562 HydrophobicContact CB-CE1 3.17Å; F548-Y562 HydrophobicContact CB-CG 4.38Å; F548-Y562 HydrophobicContact CD2-CE1 4.29Å; F548-Y562 HydrophobicContact CG-CD1 4.34Å; F548-Y562 HydrophobicContact CG-CE1 4.03Å; F548-Y562 PolarHBondContact N-O 3.08Å; F548-Y562 PolarHBondContact O-N 2.87Å
563	K	84	Confident	69.5	Low	99 Å²	99	84 Å²	84	43%	0.43	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.9	169	-58.3	-173.6	-177.1	176.1	0	108.7	W549 C560	W549-K563 VanDerWaalsContact CZ2-CE 3.48Å; C560-K563 WeakPolarHBondContact SG-CE 3.33Å; C560-K563 WeakPolarHBondContact SG-CG 3.39Å
564	N	78.5	Confident	67.1	Low	8 Å²	8	92 Å²	92	4%	0.043	50%	0.496	C	S	.	.			trans	-79	119.6	172.2	-163.9	-47.2	0	0	0	109.8	N546 E580	N546-N564 HydrophobicContact CB-CB 4.38Å; N546-N564 PolarHBondContact O-N 2.69Å; N564-E580 PolarHBondContact ND2-OE1 2.82Å
565	D	65.7	Low	65.1	Low	118 Å²	118	90.9 Å²	90.9	63%	0.631	49%	0.493	S	S	*	.			trans	-89.1	101.4	171.7	-88.4	-29.1	0	0	0	110.4	A567 A568	D565-A567 PolarHBondContact O-N 3.03Å; D565-A567 VanDerWaalsContact O-N 3.1Å; D565-A568 PolarHBondContact O-N 2.64Å
566	Q	54.2	Low	63.7	Low	99 Å²	99	94.1 Å²	94.1	46%	0.463	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-59	-22	174.1	-81.9	-161.1	-16.2	0	0	113.3	V544 A568 K569	V544-Q566 PolarHBondContact O-NE2 3.06Å; Q566-A568 PolarHBondContact O-N 3.32Å; Q566-A568 VanDerWaalsContact O-N 3.15Å; Q566-K569 PolarHBondContact O-N 3.45Å
567	A	48.5	Very low	62.4	Low	93 Å²	93	96.8 Å²	96.8	77%	0.769	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19.7	-179	0	0	0	0	0	113.8	D565	D565-A567 PolarHBondContact O-N 3.03Å; D565-A567 VanDerWaalsContact O-N 3.1Å
568	A	45.7	Very low	61.8	Low	67 Å²	67	99 Å²	99	55%	0.554	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-87.2	-19.1	-176	0	0	0	0	0	114.5	D565 Q566	D565-A568 PolarHBondContact O-N 2.64Å; Q566-A568 PolarHBondContact O-N 3.32Å; Q566-A568 VanDerWaalsContact O-N 3.15Å
569	K	48.1	Very low	61.7	Low	119 Å²	119	105.4 Å²	105.4	52%	0.517	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	5.8	-169.8	-74.8	-172.8	178.4	176.2	0	115.9	Q566 N571 E580	Q566-K569 PolarHBondContact O-N 3.45Å; K569-N571 PolarHBondContact O-N 3.06Å; K569-E580 IonicContact NZ-OE1 2.67Å
570	E	46.1	Very low	62	Low	178 Å²	178	104.9 Å²	104.9	83%	0.832	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-12.8	164	-72.2	-171.1	169.3	0	0	112.5	L572	E570-L572 PolarHBondContact O-N 3.3Å; E570-L572 VanDerWaalsContact O-N 3.15Å
571	N	39.6	Very low	62.3	Low	136 Å²	136	102.8 Å²	102.8	73%	0.727	54%	0.542	S	S	*	.			trans	-86.2	81	171.9	-72.3	-40.4	0	0	0	111.4	K569 S573	K569-N571 PolarHBondContact O-N 3.06Å; N571-S573 PolarHBondContact O-N 3.28Å
572	L	45.5	Very low	62.4	Low	171 Å²	171	103 Å²	103	90%	0.895	54%	0.544	S	S	*	.			trans	-67.7	34.2	-175.3	-114	118.8	0	0	0	116.5	E570	E570-L572 PolarHBondContact O-N 3.3Å; E570-L572 VanDerWaalsContact O-N 3.15Å
573	S	43.3	Very low	62.6	Low	104 Å²	104	102.8 Å²	102.8	73%	0.727	55%	0.545	S	S	*	.			trans	-131.8	18.9	-171.5	84	0	0	0	0	117.8	N571	N571-S573 PolarHBondContact O-N 3.28Å
574	K	41.6	Very low	63	Low	188 Å²	188	98.1 Å²	98.1	82%	0.817	53%	0.525	S	S	*	.	S	Bend	trans	-135.7	123.3	175.4	-68.9	-174.2	178.1	179.4	0	112.3
575	S	45.5	Very low	63.6	Low	87 Å²	87	99.9 Å²	99.9	61%	0.608	53%	0.532	S	S	*	.			trans	54.2	122.3	174.3	65.6	0	0	0	0	119	Q577	S575-Q577 PolarHBondContact O-N 3.27Å
576	L	53.5	Low	64.9	Low	195 Å²	195	95 Å²	95	100%	1.021	51%	0.508	S	S	*	.	S	Bend	trans	-62.9	-12	169.7	-78.5	154.1	0	0	0	113.9
577	Q	55.3	Low	66.8	Low	149 Å²	149	90.2 Å²	90.2	70%	0.696	49%	0.486	S	S	*	.	S	Bend	trans	-99.5	118.5	-178.8	-161.9	162.4	7.8	0	0	109.1	S575 E579	S575-Q577 PolarHBondContact O-N 3.27Å; Q577-E579 PolarHBondContact O-N 2.91Å
578	E	70.2	Confident	69.1	Low	98 Å²	98	86 Å²	86	46%	0.458	45%	0.45	S	S	.	.			trans	-67.8	121.1	172.3	-63.1	-171.7	166.4	0	0	108.3	E580 W619	E578-E580 VanDerWaalsContact C-N 3.27Å; E578-W619 HydrophobicContact CB-CH2 3.95Å; E578-W619 HydrophobicContact CB-CZ2 4.3Å; E578-W619 VanDerWaalsContact O-CH2 3.31Å; E578-W619 WeakPolarHBondContact O-CH2 3.36Å
579	E	85	Confident	71.5	Confident	161 Å²	161	83.2 Å²	83.2	75%	0.752	43%	0.426	S	S	*	.	S	Bend	trans	-76.1	-19	178.8	-65.3	-179	169.4	0	0	112.5	W251 Q577	W251-E579 WeakPolarHBondContact CB-O 3.33Å; Q577-E579 PolarHBondContact O-N 2.91Å
580	E	91.1	Very high	73.9	Confident	44 Å²	44	78 Å²	78	21%	0.206	40%	0.404	C	S	.	.	S	Bend	trans	-151.8	154.8	-175.3	53.4	163.4	-153.6	0	0	110.9	W251 N564 K569 E578 C582	W251-E580 HydrophobicContact CB-CB 4.32Å; W251-E580 HydrophobicContact CG-CB 4.15Å; N564-E580 PolarHBondContact ND2-OE1 2.82Å; K569-E580 IonicContact NZ-OE1 2.67Å; E578-E580 VanDerWaalsContact C-N 3.27Å; E580-C582 PolarHBondContact O-N 3.06Å
581	P	93.2	Very high	76.4	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-63.9	134.7	177.7	24.2	-33.2	0	0	0	111.8	W251 N546 R584 L600 W619	W251-P581 HydrophobicContact CD2-CG 3.79Å; W251-P581 HydrophobicContact CE3-CG 3.68Å; W251-P581 HydrophobicContact CG-CG 4.49Å; W251-P581 HydrophobicContact CH2-CG 3.95Å; W251-P581 HydrophobicContact CZ2-CG 4.02Å; W251-P581 HydrophobicContact CZ3-CG 3.76Å; N546-P581 PolarHBondContact ND2-O 3.07Å; P581-R584 VanDerWaalsContact CB-NH2 3.29Å; P581-L600 HydrophobicContact CB-CD2 3.79Å; P581-L600 HydrophobicContact CG-CD2 3.76Å; P581-W619 HydrophobicContact CB-CD2 4.08Å; P581-W619 HydrophobicContact CB-CG 4.13Å; P581-W619 HydrophobicContact CG-CD2 4.39Å; P581-W619 HydrophobicContact CG-CG 4.45Å
582	C	90.7	Very high	79.2	Confident	27 Å²	27	64.1 Å²	64.1	18%	0.182	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-57.8	154.5	172.5	70.9	0	0	0	0	112.9	N546 E580 R584	N546-C582 VanDerWaalsContact ND2-C 3.34Å; N546-C582 PolarHBondContact ND2-O 3.19Å; E580-C582 PolarHBondContact O-N 3.06Å; C582-R584 PolarHBondContact O-N 3.12Å; C582-R584 PolarHBondContact O-NE 3.46Å; C582-R584 PolarHBondContact SG-NH2 2.85Å; C582-R584 VanDerWaalsContact SG-NH2 3.42Å
583	P	89.1	Confident	81.5	Confident	17 Å²	17	59.5 Å²	59.5	11%	0.11	31%	0.308	C	S	.	.	S	Bend	trans	-51.4	130.4	173.4	-27.6	35.9	0	0	0	112.5	V544 N546 P605	V544-P583 HydrophobicContact CB-CB 4.15Å; V544-P583 VanDerWaalsContact CG1-C 3.45Å; V544-P583 HydrophobicContact CG1-CB 3.63Å; V544-P583 VanDerWaalsContact O-CB 3.25Å; V544-P583 WeakPolarHBondContact O-CB 3.37Å; N546-P583 WeakPolarHBondContact OD1-CA 3.35Å; P583-P605 WeakPolarHBondContact O-CA 3.4Å
584	R	91.8	Very high	84	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.			trans	-155.2	154.1	-174.2	64.8	-171.6	72.1	-161.5	-1.4	114.1	G532 N546 P581 C582 H587 G602 N604 L615 D617	G532-R584 VanDerWaalsContact CA-O 3.24Å; G532-R584 WeakPolarHBondContact CA-O 3.48Å; N546-R584 PolarHBondContact OD1-N 3.44Å; P581-R584 VanDerWaalsContact CB-NH2 3.29Å; C582-R584 PolarHBondContact O-N 3.12Å; C582-R584 PolarHBondContact O-NE 3.46Å; C582-R584 PolarHBondContact SG-NH2 2.85Å; C582-R584 VanDerWaalsContact SG-NH2 3.42Å; R584-H587 HydrophobicContact CG-CB 4.22Å; R584-H587 PolarHBondContact O-CE1 2.93Å; R584-H587 PolarHBondContact O-ND1 3.48Å; R584-G602 WeakPolarHBondContact CD-O 3.45Å; R584-G602 PolarHBondContact NH1-O 3.07Å; R584-N604 CarbonylContact C-O 3.6Å; R584-N604 WeakPolarHBondContact CA-O 3.34Å; R584-L615 HydrophobicContact CB-CD1 4.03Å; R584-D617 IonicContact CZ-OD1 3.82Å; R584-D617 IonicContact CZ-OD2 2.59Å; R584-D617 IonicContact NH1-OD1 2.63Å; R584-D617 PolarHBondContact NH1-OD1 2.93Å; R584-D617 IonicContact NH1-OD2 3.55Å; R584-D617 PolarHBondContact NH1-OD2 3.43Å; R584-D617 IonicContact NH2-OD1 2.61Å; R584-D617 IonicContact NH2-OD2 2.68Å; R584-D617 PolarHBondContact NH2-OD2 2.98Å
585	F	91.5	Very high	86.6	Confident	45 Å²	45	55.3 Å²	55.3	20%	0.197	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-127.6	172.9	172.1	72	-88.3	0	0	0	111.1	T515 L533 V544 H587 G603 N604	T515-F585 WeakPolarHBondContact OG1-CB 3.22Å; L533-F585 HydrophobicContact CB-CB 4.15Å; L533-F585 HydrophobicContact CD1-CB 4.42Å; L533-F585 HydrophobicContact CD1-CD1 4.05Å; L533-F585 HydrophobicContact CD1-CG 4.24Å; V544-F585 HydrophobicContact CG2-CD1 4.44Å; F585-H587 PolarHBondContact O-N 3.03Å; F585-G603 CarbonylContact O-C 3.47Å; F585-G603 VanDerWaalsContact O-CA 3.23Å; F585-G603 WeakPolarHBondContact O-CA 3.42Å; F585-N604 HydrophobicContact CD1-CB 4.02Å; F585-N604 VanDerWaalsContact CD1-O 3.27Å; F585-N604 WeakPolarHBondContact CD1-O 3.31Å; F585-N604 HydrophobicContact CD2-CB 4.36Å; F585-N604 HydrophobicContact CE1-CB 3.6Å; F585-N604 HydrophobicContact CE2-CB 3.97Å; F585-N604 HydrophobicContact CG-CB 4.38Å; F585-N604 HydrophobicContact CZ-CB 3.59Å; F585-N604 WeakPolarHBondContact CZ-ND2 3.45Å; F585-N604 PolarHBondContact N-O 3.33Å; F585-N604 PolarHBondContact O-N 3.37Å
586	A	92.5	Very high	89	Confident	15 Å²	15	54.6 Å²	54.6	12%	0.124	27%	0.269	C	S	.	.	S	Bend	trans	54.1	22.1	-177.1	0	0	0	0	0	114.8	G272 G273	G272-A586 CarbonylContact C-O 3.54Å; G272-A586 WeakPolarHBondContact CA-O 3.48Å; G273-A586 PolarHBondContact N-O 3.39Å
587	H	95.2	Very high	91.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.			trans	-82.2	178.8	171.4	61	-94.6	0	0	0	110.2	R517 R584 F585 L600 G602	R517-H587 PolarHBondContact NE-O 2.84Å; R517-H587 PolarHBondContact NH2-O 3.08Å; R584-H587 HydrophobicContact CG-CB 4.22Å; R584-H587 PolarHBondContact O-CE1 2.93Å; R584-H587 PolarHBondContact O-ND1 3.48Å; F585-H587 PolarHBondContact O-N 3.03Å; H587-L600 HydrophobicContact CB-CD1 3.84Å; H587-L600 WeakPolarHBondContact CD2-CD1 3.35Å; H587-G602 WeakPolarHBondContact CB-O 3.22Å
588	Q	96.8	Very high	93.2	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	168.1	-174.9	75.1	-25.8	0	0	111.4	M276 R517 V590 L600 F601	M276-Q588 HydrophobicContact CB-CB 4.43Å; M276-Q588 HydrophobicContact CB-CG 3.65Å; M276-Q588 HydrophobicContact CE-CB 3.93Å; M276-Q588 HydrophobicContact CE-CG 3.87Å; M276-Q588 WeakPolarHBondContact CE-O 3.28Å; M276-Q588 HydrophobicContact CG-CB 4.1Å; M276-Q588 HydrophobicContact CG-CG 3.87Å; M276-Q588 PolarHBondContact O-NE2 2.98Å; M276-Q588 VanDerWaalsContact O-NE2 3.14Å; R517-Q588 VanDerWaalsContact CD-OE1 3.28Å; Q588-V590 HydrophobicContact CG-CG1 4.49Å; Q588-L600 WeakPolarHBondContact O-CA 3.5Å; Q588-L600 WeakPolarHBondContact O-CD1 3.35Å; Q588-F601 PolarHBondContact N-O 3.14Å; Q588-F601 PolarHBondContact O-N 2.86Å; Q588-F601 VanDerWaalsContact O-N 3.12Å
589	L	97	Very high	94.6	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.2	174.9	-167.5	74.8	0	0	0	108.4	R517 T519 L530 F548 H598 Y599 L600	R517-L589 HydrophobicContact CB-CB 3.91Å; T519-L589 HydrophobicContact CG2-CD2 4.29Å; T519-L589 HydrophobicContact CG2-CG 4.41Å; L530-L589 HydrophobicContact CB-CD2 3.98Å; L530-L589 HydrophobicContact CD2-CD1 4.28Å; L530-L589 HydrophobicContact CD2-CD2 4.48Å; F548-L589 HydrophobicContact CE2-CD2 4.2Å; L589-H598 HydrophobicContact CD1-CB 3.91Å; L589-H598 HydrophobicContact CG-CB 4.37Å; L589-Y599 WeakPolarHBondContact CA-O 3.27Å; L589-L600 HydrophobicContact CD1-CB 3.83Å; L589-L600 HydrophobicContact CD1-CD1 4.37Å
590	V	98.1	Very high	95.2	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.4	169.5	-63.5	0	0	0	0	109.6	M276 I278 V285 Q588 H598 Y599	M276-V590 HydrophobicContact CB-CG1 3.69Å; M276-V590 HydrophobicContact CE-CG1 4.27Å; M276-V590 HydrophobicContact CE-CG2 4.08Å; M276-V590 WeakPolarHBondContact O-CG1 3.07Å; I278-V590 HydrophobicContact CB-CB 4.27Å; I278-V590 HydrophobicContact CB-CG2 4.11Å; I278-V590 HydrophobicContact CG2-CB 4.04Å; I278-V590 HydrophobicContact CG2-CG2 4.33Å; V285-V590 HydrophobicContact CG1-CG2 4.18Å; V285-V590 HydrophobicContact CG2-CG2 4.21Å; Q588-V590 HydrophobicContact CG-CG1 4.49Å; V590-H598 CarbonylContact O-C 3.56Å; V590-H598 VanDerWaalsContact O-CA 3.26Å; V590-H598 WeakPolarHBondContact O-CA 3.49Å; V590-Y599 HydrophobicContact CG2-CD2 4.37Å; V590-Y599 PolarHBondContact N-O 2.81Å; V590-Y599 PolarHBondContact O-N 2.78Å
591	Y	98.2	Very high	95.5	Very high	22 Å²	22	24.8 Å²	24.8	9%	0.086	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.7	-175.4	-177.8	-123.5	0	0	0	110.9	I278 D521 E593 K596 V597 H598	I278-Y591 WeakPolarHBondContact CG2-O 2.98Å; D521-Y591 HydrophobicContact CB-CE1 3.84Å; D521-Y591 PolarHBondContact OD2-OH 2.99Å; Y591-E593 HydrophobicContact CD1-CB 4.02Å; Y591-E593 HydrophobicContact CE1-CB 3.87Å; Y591-E593 PolarHBondContact O-N 2.88Å; Y591-K596 WeakPolarHBondContact OH-CA 3.43Å; Y591-K596 WeakPolarHBondContact OH-CD 3.38Å; Y591-V597 WeakPolarHBondContact CD2-O 3.32Å; Y591-H598 AromaticContact CD2-CD2 3.53Å; Y591-H598 AromaticContact CD2-CE1 3.33Å; Y591-H598 WeakPolarHBondContact CD2-CE1 3.22Å; Y591-H598 AromaticContact CD2-CG 3.72Å; Y591-H598 AromaticContact CD2-ND1 3.64Å; Y591-H598 AromaticContact CD2-NE2 3.27Å; Y591-H598 VanDerWaalsContact CD2-NE2 3.27Å; Y591-H598 WeakPolarHBondContact CD2-NE2 3.5Å; Y591-H598 AromaticContact CE2-CE1 3.4Å; Y591-H598 VanDerWaalsContact CE2-CE1 3.4Å; Y591-H598 WeakPolarHBondContact CE2-CE1 2.86Å; Y591-H598 AromaticContact CE2-ND1 3.8Å; Y591-H598 AromaticContact CE2-NE2 3.79Å; Y591-H598 AromaticContact CG-NE2 3.79Å
592	D	97.7	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	102.1	164.4	-173.9	-25.3	0	0	0	108.4	I278 L594 H595 K596 V597 Y599	I278-D592 HydrophobicContact CD1-CB 3.87Å; D592-L594 VanDerWaalsContact C-N 3.29Å; D592-L594 PolarHBondContact O-N 2.88Å; D592-L594 WeakPolarHBondContact OD1-CA 3.39Å; D592-L594 WeakPolarHBondContact OD1-CB 3.48Å; D592-L594 PolarHBondContact OD1-N 2.87Å; D592-H595 IonicContact OD1-CG 2.76Å; D592-H595 PolarHBondContact OD1-N 3.3Å; D592-H595 IonicContact OD1-ND1 3.56Å; D592-H595 PolarHBondContact OD1-ND1 3.29Å; D592-H595 IonicContact OD2-CE1 3.29Å; D592-H595 IonicContact OD2-CG 2.77Å; D592-H595 IonicContact OD2-ND1 2.61Å; D592-H595 PolarHBondContact OD2-ND1 3.18Å; D592-K596 WeakPolarHBondContact O-CA 3.47Å; D592-K596 PolarHBondContact O-N 3.22Å; D592-V597 PolarHBondContact N-O 2.81Å; D592-V597 PolarHBondContact O-N 3.12Å; D592-V597 VanDerWaalsContact O-N 3.12Å; D592-Y599 HydrophobicContact CB-CE2 4.23Å
593	E	94.9	Very high	95.9	Very high	75 Å²	75	23.5 Å²	23.5	35%	0.35	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.1	179.8	67.6	-177.5	167.9	0	0	113.6	P522 Y591 K596	P522-E593 VanDerWaalsContact CD-OE2 3.24Å; P522-E593 WeakPolarHBondContact CD-OE2 3.29Å; P522-E593 WeakPolarHBondContact CG-OE2 3.25Å; Y591-E593 HydrophobicContact CD1-CB 4.02Å; Y591-E593 HydrophobicContact CE1-CB 3.87Å; Y591-E593 PolarHBondContact O-N 2.88Å; E593-K596 VanDerWaalsContact O-CD 3.32Å; E593-K596 WeakPolarHBondContact O-CD 3.33Å; E593-K596 WeakPolarHBondContact O-CE 3.34Å; E593-K596 PolarHBondContact O-NZ 2.93Å
594	L	95.3	Very high	96.1	Very high	118 Å²	118	23 Å²	23	62%	0.618	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-44.8	178.2	-177.6	63.3	0	0	0	110.2	D592	D592-L594 VanDerWaalsContact C-N 3.29Å; D592-L594 PolarHBondContact O-N 2.88Å; D592-L594 WeakPolarHBondContact OD1-CA 3.39Å; D592-L594 WeakPolarHBondContact OD1-CB 3.48Å; D592-L594 PolarHBondContact OD1-N 2.87Å
595	H	96.5	Very high	96.1	Very high	85 Å²	85	23.7 Å²	23.7	39%	0.394	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.1	-178.3	-56.6	107	0	0	0	114	E283 D592 V597	E283-H595 VanDerWaalsContact CD-CE1 3.41Å; E283-H595 IonicContact OE1-CE1 3.41Å; E283-H595 IonicContact OE2-CE1 3.28Å; E283-H595 IonicContact OE2-ND1 2.67Å; D592-H595 IonicContact OD1-CG 2.76Å; D592-H595 PolarHBondContact OD1-N 3.3Å; D592-H595 IonicContact OD1-ND1 3.56Å; D592-H595 PolarHBondContact OD1-ND1 3.29Å; D592-H595 IonicContact OD2-CE1 3.29Å; D592-H595 IonicContact OD2-CG 2.77Å; D592-H595 IonicContact OD2-ND1 2.61Å; D592-H595 PolarHBondContact OD2-ND1 3.18Å; H595-V597 HydrophobicContact CB-CG2 4.08Å; H595-V597 VanDerWaalsContact O-CG2 3.29Å; H595-V597 WeakPolarHBondContact O-CG2 3.33Å
596	K	96.5	Very high	95.8	Very high	73 Å²	73	23.1 Å²	23.1	32%	0.317	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	46.7	179.3	-48.9	-63.5	178.3	-166.5	0	112.7	D521 Y591 D592 E593	D521-K596 VanDerWaalsContact CG-NZ 3.27Å; D521-K596 IonicContact OD1-NZ 3.69Å; D521-K596 PolarHBondContact OD1-NZ 3.2Å; D521-K596 VanDerWaalsContact OD1-NZ 3.15Å; D521-K596 VanDerWaalsContact OD2-CD 3.26Å; D521-K596 WeakPolarHBondContact OD2-CD 3.35Å; D521-K596 WeakPolarHBondContact OD2-CE 3.23Å; D521-K596 IonicContact OD2-NZ 2.72Å; D521-K596 PolarHBondContact OD2-NZ 3.49Å; Y591-K596 WeakPolarHBondContact OH-CA 3.43Å; Y591-K596 WeakPolarHBondContact OH-CD 3.38Å; D592-K596 WeakPolarHBondContact O-CA 3.47Å; D592-K596 PolarHBondContact O-N 3.22Å; E593-K596 VanDerWaalsContact O-CD 3.32Å; E593-K596 WeakPolarHBondContact O-CD 3.33Å; E593-K596 WeakPolarHBondContact O-CE 3.34Å; E593-K596 PolarHBondContact O-NZ 2.93Å
597	V	98.1	Very high	95.5	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.2	-177.1	-169.2	0	0	0	0	111.2	Y591 D592 H595 Y599 K622	Y591-V597 WeakPolarHBondContact CD2-O 3.32Å; D592-V597 PolarHBondContact N-O 2.81Å; D592-V597 PolarHBondContact O-N 3.12Å; D592-V597 VanDerWaalsContact O-N 3.12Å; H595-V597 HydrophobicContact CB-CG2 4.08Å; H595-V597 VanDerWaalsContact O-CG2 3.29Å; H595-V597 WeakPolarHBondContact O-CG2 3.33Å; V597-Y599 HydrophobicContact CB-CE2 4.17Å; V597-Y599 HydrophobicContact CG1-CE1 4.38Å; V597-Y599 HydrophobicContact CG1-CE2 4.06Å; V597-K622 HydrophobicContact CG1-CG 4.31Å; V597-K622 HydrophobicContact CG2-CD 4.36Å; V597-K622 HydrophobicContact CG2-CG 4.11Å
598	H	98.3	Very high	95	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.5	169	-63.1	84.5	0	0	0	111.3	T519 H528 F548 L589 V590 Y591 S620 L621	T519-H598 PolarHBondContact OG1-CD2 2.85Å; T519-H598 PolarHBondContact OG1-NE2 3.39Å; H528-H598 AromaticContact CG-CE1 3.97Å; H528-H598 AromaticContact CG-NE2 3.87Å; H528-H598 AromaticContact ND1-CE1 3.28Å; H528-H598 PolarHBondContact ND1-CE1 2.9Å; H528-H598 VanDerWaalsContact ND1-CE1 3.28Å; H528-H598 AromaticContact ND1-NE2 3.33Å; H528-H598 PolarHBondContact ND1-NE2 3.31Å; F548-H598 AromaticContact CZ-CE1 3.8Å; F548-H598 AromaticContact CZ-NE2 3.93Å; L589-H598 HydrophobicContact CD1-CB 3.91Å; L589-H598 HydrophobicContact CG-CB 4.37Å; V590-H598 CarbonylContact O-C 3.56Å; V590-H598 VanDerWaalsContact O-CA 3.26Å; V590-H598 WeakPolarHBondContact O-CA 3.49Å; Y591-H598 AromaticContact CD2-CD2 3.53Å; Y591-H598 AromaticContact CD2-CE1 3.33Å; Y591-H598 WeakPolarHBondContact CD2-CE1 3.22Å; Y591-H598 AromaticContact CD2-CG 3.72Å; Y591-H598 AromaticContact CD2-ND1 3.64Å; Y591-H598 AromaticContact CD2-NE2 3.27Å; Y591-H598 VanDerWaalsContact CD2-NE2 3.27Å; Y591-H598 WeakPolarHBondContact CD2-NE2 3.5Å; Y591-H598 AromaticContact CE2-CE1 3.4Å; Y591-H598 VanDerWaalsContact CE2-CE1 3.4Å; Y591-H598 WeakPolarHBondContact CE2-CE1 2.86Å; Y591-H598 AromaticContact CE2-ND1 3.8Å; Y591-H598 AromaticContact CE2-NE2 3.79Å; Y591-H598 AromaticContact CG-NE2 3.79Å; H598-S620 CarbonylContact O-C 3.52Å; H598-S620 VanDerWaalsContact O-CA 3.22Å; H598-S620 WeakPolarHBondContact O-CA 3.2Å; H598-L621 HydrophobicContact CB-CB 4.09Å; H598-L621 HydrophobicContact CB-CD2 4.5Å; H598-L621 PolarHBondContact N-O 2.97Å; H598-L621 PolarHBondContact O-N 2.96Å
599	Y	98.4	Very high	94.7	Very high	12 Å²	12	38.5 Å²	38.5	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.7	171.9	-62.3	-86.6	0	0	0	110.4	I254 M276 I278 V285 V305 L589 V590 D592 V597 F618 W619	I254-Y599 HydrophobicContact CD1-CD1 3.6Å; I254-Y599 HydrophobicContact CD1-CE1 3.73Å; M276-Y599 WeakPolarHBondContact CE-O 3.15Å; I278-Y599 HydrophobicContact CD1-CD2 3.96Å; I278-Y599 HydrophobicContact CD1-CE2 3.89Å; V285-Y599 HydrophobicContact CG2-CD2 4.19Å; V285-Y599 HydrophobicContact CG2-CG 4.22Å; V305-Y599 WeakPolarHBondContact CG1-OH 3.34Å; V305-Y599 HydrophobicContact CG2-CE1 4.1Å; V305-Y599 HydrophobicContact CG2-CE2 4.33Å; V305-Y599 VanDerWaalsContact CG2-OH 3.31Å; V305-Y599 WeakPolarHBondContact CG2-OH 3.22Å; L589-Y599 WeakPolarHBondContact CA-O 3.27Å; V590-Y599 HydrophobicContact CG2-CD2 4.37Å; V590-Y599 PolarHBondContact N-O 2.81Å; V590-Y599 PolarHBondContact O-N 2.78Å; D592-Y599 HydrophobicContact CB-CE2 4.23Å; V597-Y599 HydrophobicContact CB-CE2 4.17Å; V597-Y599 HydrophobicContact CG1-CE1 4.38Å; V597-Y599 HydrophobicContact CG1-CE2 4.06Å; Y599-F618 HydrophobicContact CD1-CE1 4.46Å; Y599-F618 HydrophobicContact CD1-CE2 4.25Å; Y599-F618 AromaticContact CD1-CZ 3.77Å; Y599-F618 HydrophobicContact CD1-CZ 3.77Å; Y599-F618 HydrophobicContact CG-CZ 4.27Å; Y599-W619 WeakPolarHBondContact CA-O 3.34Å
600	L	97.8	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.3	-177.2	170.2	68.6	0	0	0	109.9	W251 L530 P581 H587 Q588 L589 F618 W619	W251-L600 HydrophobicContact CH2-CD2 4.03Å; W251-L600 HydrophobicContact CZ3-CB 4.26Å; W251-L600 HydrophobicContact CZ3-CD2 3.97Å; L530-L600 HydrophobicContact CD2-CD1 4.05Å; L530-L600 HydrophobicContact CD2-CD2 4.28Å; P581-L600 HydrophobicContact CB-CD2 3.79Å; P581-L600 HydrophobicContact CG-CD2 3.76Å; H587-L600 HydrophobicContact CB-CD1 3.84Å; H587-L600 WeakPolarHBondContact CD2-CD1 3.35Å; Q588-L600 WeakPolarHBondContact O-CA 3.5Å; Q588-L600 WeakPolarHBondContact O-CD1 3.35Å; L589-L600 HydrophobicContact CD1-CB 3.83Å; L589-L600 HydrophobicContact CD1-CD1 4.37Å; L600-F618 WeakPolarHBondContact O-CA 3.08Å; L600-F618 VanDerWaalsContact O-CD2 3.28Å; L600-F618 WeakPolarHBondContact O-CD2 3.17Å; L600-W619 HydrophobicContact CB-CB 4.25Å; L600-W619 PolarHBondContact N-O 2.97Å; L600-W619 PolarHBondContact O-N 3.3Å
601	F	98.2	Very high	93.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142	176.4	-169.6	-97.8	0	0	0	112.9	P268 R271 H274 M276 L287 W310 Q588 D616 F618	P268-F601 HydrophobicContact CB-CE1 4.2Å; P268-F601 HydrophobicContact CB-CZ 3.88Å; P268-F601 HydrophobicContact CG-CZ 4.36Å; R271-F601 HydrophobicContact CG-CD1 4.35Å; R271-F601 HydrophobicContact CG-CE1 3.83Å; H274-F601 PolarHBondContact CE1-O 3.36Å; H274-F601 AromaticContact NE2-CD1 3.58Å; H274-F601 PolarHBondContact NE2-O 2.8Å; M276-F601 HydrophobicContact CE-CB 4.01Å; M276-F601 HydrophobicContact SD-CB 3.6Å; M276-F601 VanDerWaalsContact SD-CB 3.6Å; M276-F601 HydrophobicContact SD-CG 4.48Å; L287-F601 HydrophobicContact CD1-CD1 3.35Å; L287-F601 HydrophobicContact CD1-CE1 3.62Å; L287-F601 HydrophobicContact CD1-CG 3.95Å; L287-F601 HydrophobicContact CD1-CZ 4.41Å; W310-F601 HydrophobicContact CZ2-CD2 4.39Å; Q588-F601 PolarHBondContact N-O 3.14Å; Q588-F601 PolarHBondContact O-N 2.86Å; Q588-F601 VanDerWaalsContact O-N 3.12Å; F601-D616 WeakPolarHBondContact CE2-O 3.28Å; F601-D616 HydrophobicContact CZ-CB 4.26Å; F601-F618 HydrophobicContact CB-CD2 3.93Å; F601-F618 HydrophobicContact CB-CE2 4.34Å; F601-F618 HydrophobicContact CD2-CB 3.81Å; F601-F618 AromaticContact CD2-CD2 3.76Å; F601-F618 HydrophobicContact CD2-CD2 3.76Å; F601-F618 HydrophobicContact CD2-CG 4Å; F601-F618 HydrophobicContact CE2-CB 4.27Å; F601-F618 HydrophobicContact CG-CD2 4.33Å
602	G	96.9	Very high	93.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.4	-151.6	166.2	0	0	0	0	0	115.3	R584 H587 L615 D617	R584-G602 WeakPolarHBondContact CD-O 3.45Å; R584-G602 PolarHBondContact NH1-O 3.07Å; H587-G602 WeakPolarHBondContact CB-O 3.22Å; G602-L615 WeakPolarHBondContact CA-O 3.33Å; G602-D617 PolarHBondContact N-O 3.41Å
603	G	95	Very high	93.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.7	-163.6	-177.6	0	0	0	0	0	113.6	R271 F585 R614 L615	R271-G603 PolarHBondContact O-N 3.29Å; F585-G603 CarbonylContact O-C 3.47Å; F585-G603 VanDerWaalsContact O-CA 3.23Å; F585-G603 WeakPolarHBondContact O-CA 3.42Å; G603-R614 CarbonylContact O-C 3.55Å; G603-R614 VanDerWaalsContact O-CA 3.25Å; G603-R614 WeakPolarHBondContact O-CA 3.21Å; G603-R614 WeakPolarHBondContact O-CD 3.13Å; G603-L615 PolarHBondContact O-N 2.81Å
604	N	93.2	Very high	93.6	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-125.5	128.5	178.8	-180	-27.1	0	0	0	109.4	R584 F585 G606 P611 R614	R584-N604 CarbonylContact C-O 3.6Å; R584-N604 WeakPolarHBondContact CA-O 3.34Å; F585-N604 HydrophobicContact CD1-CB 4.02Å; F585-N604 VanDerWaalsContact CD1-O 3.27Å; F585-N604 WeakPolarHBondContact CD1-O 3.31Å; F585-N604 HydrophobicContact CD2-CB 4.36Å; F585-N604 HydrophobicContact CE1-CB 3.6Å; F585-N604 HydrophobicContact CE2-CB 3.97Å; F585-N604 HydrophobicContact CG-CB 4.38Å; F585-N604 HydrophobicContact CZ-CB 3.59Å; F585-N604 WeakPolarHBondContact CZ-ND2 3.45Å; F585-N604 PolarHBondContact N-O 3.33Å; F585-N604 PolarHBondContact O-N 3.37Å; N604-G606 VanDerWaalsContact C-N 3.25Å; N604-G606 PolarHBondContact O-N 2.67Å; N604-G606 PolarHBondContact OD1-N 2.83Å; N604-P611 PolarHBondContact ND2-O 2.89Å; N604-R614 PolarHBondContact ND2-NH1 2.92Å
605	P	91.3	Very high	93.7	Very high	15 Å²	15	45.1 Å²	45.1	10%	0.097	25%	0.251	C	S	.	.			trans	-76.3	-3.4	-177.4	32.2	-36.2	0	0	0	114.8	P583 K607 M613 L615	P583-P605 WeakPolarHBondContact O-CA 3.4Å; P605-K607 VanDerWaalsContact C-N 3.33Å; P605-K607 HydrophobicContact CB-CG 4.33Å; P605-K607 HydrophobicContact CG-CD 4.31Å; P605-K607 HydrophobicContact CG-CG 4.14Å; P605-K607 PolarHBondContact O-N 3.15Å; P605-M613 HydrophobicContact CG-CB 4.41Å; P605-M613 HydrophobicContact CG-CG 3.99Å; P605-M613 HydrophobicContact CG-SD 3.86Å; P605-L615 HydrophobicContact CB-CD1 4.41Å; P605-L615 HydrophobicContact CB-CD2 4.41Å; P605-L615 HydrophobicContact CG-CD2 4.21Å
606	G	86.7	Confident	93.7	Very high	32 Å²	32	43.1 Å²	43.1	33%	0.33	24%	0.243	S	C	.	.			trans	73.1	20.4	178.8	0	0	0	0	0	115.6	N604 S608	N604-G606 VanDerWaalsContact C-N 3.25Å; N604-G606 PolarHBondContact O-N 2.67Å; N604-G606 PolarHBondContact OD1-N 2.83Å; G606-S608 PolarHBondContact O-N 3.09Å
607	K	85.8	Confident	93.7	Very high	110 Å²	110	40.6 Å²	40.6	48%	0.478	23%	0.233	S	C	.	.			trans	-71.4	114.5	177.3	-66.8	-177.3	-177.8	178	0	110	P605 C609 S610 M613	P605-K607 VanDerWaalsContact C-N 3.33Å; P605-K607 HydrophobicContact CB-CG 4.33Å; P605-K607 HydrophobicContact CG-CD 4.31Å; P605-K607 HydrophobicContact CG-CG 4.14Å; P605-K607 PolarHBondContact O-N 3.15Å; K607-C609 PolarHBondContact O-N 3.23Å; K607-S610 WeakPolarHBondContact CB-OG 3.47Å; K607-S610 CarbonylContact O-C 3.53Å; K607-S610 PolarHBondContact O-N 2.83Å; K607-M613 HydrophobicContact CD-SD 4.04Å
608	S	84.9	Confident	93.7	Very high	121 Å²	121	40.6 Å²	40.6	85%	0.846	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.5	178.3	54.8	0	0	0	0	113.2	G606 S610	G606-S608 PolarHBondContact O-N 3.09Å; S608-S610 VanDerWaalsContact C-N 3.26Å; S608-S610 PolarHBondContact O-N 2.72Å
609	C	89.2	Confident	93.7	Very high	112 Å²	112	40.6 Å²	40.6	76%	0.757	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.7	174.8	61.3	0	0	0	0	114	K607	K607-C609 PolarHBondContact O-N 3.23Å
610	S	90.1	Very high	93.6	Very high	28 Å²	28	41 Å²	41	20%	0.196	24%	0.238	C	C	.	.			trans	-147	64.2	-176.4	50.5	0	0	0	0	112.2	K607 S608 K612 M613	K607-S610 WeakPolarHBondContact CB-OG 3.47Å; K607-S610 CarbonylContact O-C 3.53Å; K607-S610 PolarHBondContact O-N 2.83Å; S608-S610 VanDerWaalsContact C-N 3.26Å; S608-S610 PolarHBondContact O-N 2.72Å; S610-K612 PolarHBondContact O-N 2.9Å; S610-K612 VanDerWaalsContact O-N 3.12Å; S610-M613 WeakPolarHBondContact O-CB 3.47Å; S610-M613 PolarHBondContact O-N 3.23Å
611	P	88.7	Confident	93.6	Very high	86 Å²	86	41 Å²	41	56%	0.558	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.7	-173.2	25.9	-35.7	0	0	0	114.2	N604 M613 R614	N604-P611 PolarHBondContact ND2-O 2.89Å; P611-M613 VanDerWaalsContact C-N 3.33Å; P611-R614 PolarHBondContact O-NH1 2.87Å; P611-R614 VanDerWaalsContact O-NH1 3.08Å
612	K	93.9	Very high	93.6	Very high	133 Å²	133	46 Å²	46	58%	0.578	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.5	175.6	-65	-172.9	163.3	-166.4	0	113.3	W291 G293 S610 R614	W291-K612 HydrophobicContact CH2-CB 4.43Å; W291-K612 HydrophobicContact CH2-CG 4.12Å; G293-K612 VanDerWaalsContact CA-O 3.22Å; G293-K612 WeakPolarHBondContact CA-O 3.43Å; G293-K612 VanDerWaalsContact O-CD 3.32Å; G293-K612 WeakPolarHBondContact O-CD 3.14Å; S610-K612 PolarHBondContact O-N 2.9Å; S610-K612 VanDerWaalsContact O-N 3.12Å; K612-R614 PolarHBondContact O-N 2.81Å; K612-R614 PolarHBondContact O-NH1 3.04Å
613	M	95	Very high	93.5	Very high	69 Å²	69	47.3 Å²	47.3	34%	0.34	27%	0.266	S	S	.	.			trans	-59.3	134.8	179.5	-176.7	169.7	-80	0	0	110.5	P605 K607 S610 P611	P605-M613 HydrophobicContact CG-CB 4.41Å; P605-M613 HydrophobicContact CG-CG 3.99Å; P605-M613 HydrophobicContact CG-SD 3.86Å; K607-M613 HydrophobicContact CD-SD 4.04Å; S610-M613 WeakPolarHBondContact O-CB 3.47Å; S610-M613 PolarHBondContact O-N 3.23Å; P611-M613 VanDerWaalsContact C-N 3.33Å
614	R	96.6	Very high	93.4	Very high	31 Å²	31	49 Å²	49	12%	0.117	28%	0.278	C	S	.	.			trans	-123.4	162.9	172	-66	-61.2	179.8	-88.2	8.8	109.8	M270 W291 D292 G603 N604 P611 K612	M270-R614 HydrophobicContact CB-CB 3.89Å; M270-R614 WeakPolarHBondContact CE-O 3.06Å; W291-R614 WeakPolarHBondContact O-CG 3.28Å; D292-R614 WeakPolarHBondContact O-CG 3.42Å; G603-R614 CarbonylContact O-C 3.55Å; G603-R614 VanDerWaalsContact O-CA 3.25Å; G603-R614 WeakPolarHBondContact O-CA 3.21Å; G603-R614 WeakPolarHBondContact O-CD 3.13Å; N604-R614 PolarHBondContact ND2-NH1 2.92Å; P611-R614 PolarHBondContact O-NH1 2.87Å; P611-R614 VanDerWaalsContact O-NH1 3.08Å; K612-R614 PolarHBondContact O-N 2.81Å; K612-R614 PolarHBondContact O-NH1 3.04Å
615	L	96.8	Very high	93.3	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.131	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	157.5	178.4	-53.9	172.1	0	0	0	109.3	M270 R271 R584 G602 G603 P605 D617	M270-L615 WeakPolarHBondContact CA-O 3.49Å; R271-L615 PolarHBondContact N-O 2.96Å; R271-L615 VanDerWaalsContact N-O 3.07Å; R584-L615 HydrophobicContact CB-CD1 4.03Å; G602-L615 WeakPolarHBondContact CA-O 3.33Å; G603-L615 PolarHBondContact O-N 2.81Å; P605-L615 HydrophobicContact CB-CD1 4.41Å; P605-L615 HydrophobicContact CB-CD2 4.41Å; P605-L615 HydrophobicContact CG-CD2 4.21Å; L615-D617 WeakPolarHBondContact CB-OD1 3.28Å
616	D	96.6	Very high	93.3	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	11.5	177.9	68.3	-32.5	0	0	0	111.9	R267 M270 F601	R267-D616 IonicContact CZ-OD2 3.43Å; R267-D616 PolarHBondContact NH1-O 2.93Å; R267-D616 IonicContact NH1-OD2 3.45Å; R267-D616 PolarHBondContact NH1-OD2 3.5Å; R267-D616 IonicContact NH2-OD2 3.85Å; R267-D616 PolarHBondContact NH2-OD2 3.44Å; M270-D616 HydrophobicContact CB-CB 4.42Å; M270-D616 HydrophobicContact CG-CB 3.95Å; F601-D616 WeakPolarHBondContact CE2-O 3.28Å; F601-D616 HydrophobicContact CZ-CB 4.26Å
617	D	96.3	Very high	93.6	Very high	19 Å²	19	54.2 Å²	54.2	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	144.7	176.7	60.4	-26.6	0	0	0	110.6	R584 G602 L615 W619	R584-D617 IonicContact CZ-OD1 3.82Å; R584-D617 IonicContact CZ-OD2 2.59Å; R584-D617 IonicContact NH1-OD1 2.63Å; R584-D617 PolarHBondContact NH1-OD1 2.93Å; R584-D617 IonicContact NH1-OD2 3.55Å; R584-D617 PolarHBondContact NH1-OD2 3.43Å; R584-D617 IonicContact NH2-OD1 2.61Å; R584-D617 IonicContact NH2-OD2 2.68Å; R584-D617 PolarHBondContact NH2-OD2 2.98Å; G602-D617 PolarHBondContact N-O 3.41Å; L615-D617 WeakPolarHBondContact CB-OD1 3.28Å; D617-W619 PolarHBondContact OD2-NE1 3.08Å
618	F	97.6	Very high	94	Very high	6 Å²	6	53 Å²	53	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132	-176.1	-166.3	-147.8	0	0	0	110.2	I254 Y303 W310 Y599 L600 F601	I254-F618 HydrophobicContact CB-CB 4.32Å; I254-F618 HydrophobicContact CB-CD1 3.73Å; I254-F618 HydrophobicContact CB-CE1 4.4Å; I254-F618 HydrophobicContact CB-CG 4.22Å; I254-F618 HydrophobicContact CD1-CD1 3.78Å; I254-F618 HydrophobicContact CD1-CE1 3.68Å; I254-F618 HydrophobicContact CD1-CG 4.27Å; I254-F618 HydrophobicContact CD1-CZ 4.1Å; I254-F618 HydrophobicContact CG1-CD1 4.32Å; I254-F618 HydrophobicContact CG2-CD1 3.72Å; I254-F618 HydrophobicContact CG2-CE1 4.16Å; I254-F618 PolarHBondContact N-O 3.02Å; Y303-F618 AromaticContact CD1-CE1 3.59Å; Y303-F618 HydrophobicContact CD1-CE1 3.59Å; Y303-F618 AromaticContact CD1-CZ 3.97Å; Y303-F618 HydrophobicContact CD1-CZ 3.97Å; Y303-F618 AromaticContact CD2-CE1 3.93Å; Y303-F618 HydrophobicContact CD2-CE1 3.93Å; Y303-F618 AromaticContact CE1-CE1 3.62Å; Y303-F618 HydrophobicContact CE1-CE1 3.62Å; Y303-F618 HydrophobicContact CE1-CZ 4.24Å; Y303-F618 HydrophobicContact CE2-CD1 4.43Å; Y303-F618 AromaticContact CE2-CE1 3.97Å; Y303-F618 HydrophobicContact CE2-CE1 3.97Å; Y303-F618 AromaticContact CG-CE1 3.74Å; Y303-F618 HydrophobicContact CG-CE1 3.74Å; Y303-F618 HydrophobicContact CG-CZ 4.32Å; Y303-F618 AromaticContact CZ-CE1 3.83Å; W310-F618 AromaticContact CZ2-CD1 3.92Å; W310-F618 HydrophobicContact CZ2-CD1 3.92Å; W310-F618 HydrophobicContact CZ2-CD2 4.43Å; W310-F618 AromaticContact CZ2-CE1 3.78Å; W310-F618 HydrophobicContact CZ2-CE1 3.78Å; W310-F618 HydrophobicContact CZ2-CE2 4.32Å; W310-F618 HydrophobicContact CZ2-CG 4.26Å; W310-F618 HydrophobicContact CZ2-CZ 4.02Å; Y599-F618 HydrophobicContact CD1-CE1 4.46Å; Y599-F618 HydrophobicContact CD1-CE2 4.25Å; Y599-F618 AromaticContact CD1-CZ 3.77Å; Y599-F618 HydrophobicContact CD1-CZ 3.77Å; Y599-F618 HydrophobicContact CG-CZ 4.27Å; L600-F618 WeakPolarHBondContact O-CA 3.08Å; L600-F618 VanDerWaalsContact O-CD2 3.28Å; L600-F618 WeakPolarHBondContact O-CD2 3.17Å; F601-F618 HydrophobicContact CB-CD2 3.93Å; F601-F618 HydrophobicContact CB-CE2 4.34Å; F601-F618 HydrophobicContact CD2-CB 3.81Å; F601-F618 AromaticContact CD2-CD2 3.76Å; F601-F618 HydrophobicContact CD2-CD2 3.76Å; F601-F618 HydrophobicContact CD2-CG 4Å; F601-F618 HydrophobicContact CE2-CB 4.27Å; F601-F618 HydrophobicContact CG-CD2 4.33Å
619	W	97.9	Very high	94.5	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.3	-172.8	-65.2	83.2	0	0	0	111.6	W251 Q253 E578 P581 Y599 L600 D617	W251-W619 HydrophobicContact CB-CE3 4.33Å; W251-W619 HydrophobicContact CB-CZ3 4.49Å; W251-W619 HydrophobicContact CE3-CB 4.05Å; W251-W619 HydrophobicContact CZ3-CB 4.1Å; Q253-W619 HydrophobicContact CB-CD2 4.08Å; Q253-W619 HydrophobicContact CB-CE3 3.83Å; Q253-W619 HydrophobicContact CB-CH2 3.84Å; Q253-W619 HydrophobicContact CB-CZ2 4.08Å; Q253-W619 HydrophobicContact CB-CZ3 3.7Å; Q253-W619 HydrophobicContact CG-CD2 4.18Å; Q253-W619 HydrophobicContact CG-CE3 4.43Å; Q253-W619 HydrophobicContact CG-CH2 4.26Å; Q253-W619 HydrophobicContact CG-CZ2 3.99Å; Q253-W619 HydrophobicContact CG-CZ3 4.47Å; Q253-W619 VanDerWaalsContact N-CE3 3.34Å; E578-W619 HydrophobicContact CB-CH2 3.95Å; E578-W619 HydrophobicContact CB-CZ2 4.3Å; E578-W619 VanDerWaalsContact O-CH2 3.31Å; E578-W619 WeakPolarHBondContact O-CH2 3.36Å; P581-W619 HydrophobicContact CB-CD2 4.08Å; P581-W619 HydrophobicContact CB-CG 4.13Å; P581-W619 HydrophobicContact CG-CD2 4.39Å; P581-W619 HydrophobicContact CG-CG 4.45Å; Y599-W619 WeakPolarHBondContact CA-O 3.34Å; L600-W619 HydrophobicContact CB-CB 4.25Å; L600-W619 PolarHBondContact N-O 2.97Å; L600-W619 PolarHBondContact O-N 3.3Å; D617-W619 PolarHBondContact OD2-NE1 3.08Å
620	S	97.8	Very high	94.7	Very high	22 Å²	22	52 Å²	52	15%	0.154	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.9	162.4	56.9	0	0	0	0	110.6	W251 S252 H598	W251-S620 CarbonylContact C-O 3.54Å; W251-S620 WeakPolarHBondContact CA-O 3.4Å; S252-S620 PolarHBondContact N-O 3.36Å; S252-S620 PolarHBondContact O-N 3.15Å; S252-S620 PolarHBondContact O-OG 3.07Å; S252-S620 VanDerWaalsContact O-OG 3.11Å; H598-S620 CarbonylContact O-C 3.52Å; H598-S620 VanDerWaalsContact O-CA 3.22Å; H598-S620 WeakPolarHBondContact O-CA 3.2Å
621	L	97.7	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.4	168	163.8	72	0	0	0	109.4	P249 R250 W251 F548 H598 L623	P249-L621 HydrophobicContact CB-CD1 3.62Å; R250-L621 WeakPolarHBondContact O-CA 3.34Å; W251-L621 HydrophobicContact CD2-CB 3.95Å; W251-L621 HydrophobicContact CD2-CD1 4Å; W251-L621 HydrophobicContact CD2-CG 4.47Å; W251-L621 HydrophobicContact CE3-CB 3.61Å; W251-L621 HydrophobicContact CG-CD1 4.32Å; W251-L621 HydrophobicContact CH2-CB 3.67Å; W251-L621 HydrophobicContact CH2-CD2 3.79Å; W251-L621 HydrophobicContact CH2-CG 4.22Å; W251-L621 HydrophobicContact CZ2-CB 4.01Å; W251-L621 HydrophobicContact CZ2-CD1 4.11Å; W251-L621 HydrophobicContact CZ2-CD2 3.63Å; W251-L621 HydrophobicContact CZ2-CG 4.13Å; W251-L621 HydrophobicContact CZ3-CB 3.46Å; W251-L621 VanDerWaalsContact CZ3-CB 3.46Å; W251-L621 HydrophobicContact CZ3-CD2 4.46Å; W251-L621 HydrophobicContact CZ3-CG 4.45Å; F548-L621 HydrophobicContact CD2-CD2 3.73Å; F548-L621 HydrophobicContact CE1-CD2 4.38Å; F548-L621 HydrophobicContact CE2-CD2 3.36Å; F548-L621 HydrophobicContact CG-CD2 4.36Å; F548-L621 HydrophobicContact CZ-CD2 3.71Å; H598-L621 HydrophobicContact CB-CB 4.09Å; H598-L621 HydrophobicContact CB-CD2 4.5Å; H598-L621 PolarHBondContact N-O 2.97Å; H598-L621 PolarHBondContact O-N 2.96Å; L621-L623 HydrophobicContact CD1-CD2 4.23Å; L621-L623 HydrophobicContact CD2-CD2 4.06Å; L621-L623 HydrophobicContact CG-CD2 4.21Å
622	K	96.7	Very high	95.4	Very high	105 Å²	105	47.9 Å²	47.9	46%	0.457	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.7	165.4	-65.8	-173.5	178.1	-171.7	0	109.4	R250 V597	R250-K622 PolarHBondContact N-O 3.07Å; R250-K622 PolarHBondContact O-N 3.02Å; V597-K622 HydrophobicContact CG1-CG 4.31Å; V597-K622 HydrophobicContact CG2-CD 4.36Å; V597-K622 HydrophobicContact CG2-CG 4.11Å
623	L	94.7	Very high	95.6	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.147	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	111	173.3	-58.5	173.9	0	0	0	107.8	Y247 F548 I550 V561 L621	Y247-L623 HydrophobicContact CD1-CB 3.57Å; Y247-L623 HydrophobicContact CE1-CB 3.93Å; Y247-L623 HydrophobicContact CG-CB 4.09Å; F548-L623 HydrophobicContact CD1-CD2 4.18Å; F548-L623 HydrophobicContact CE1-CD1 3.75Å; F548-L623 HydrophobicContact CE1-CD2 3.8Å; F548-L623 HydrophobicContact CE1-CG 4.34Å; F548-L623 HydrophobicContact CZ-CD1 4.17Å; F548-L623 HydrophobicContact CZ-CD2 4.31Å; I550-L623 HydrophobicContact CD1-CD1 3.91Å; V561-L623 HydrophobicContact CG1-CD2 4.13Å; L621-L623 HydrophobicContact CD1-CD2 4.23Å; L621-L623 HydrophobicContact CD2-CD2 4.06Å; L621-L623 HydrophobicContact CG-CD2 4.21Å
624	C	93	Very high	95.6	Very high	37 Å²	37	43.3 Å²	43.3	25%	0.25	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.7	-172.4	-61.1	0	0	0	0	110.7	K248	K248-C624 PolarHBondContact N-O 2.82Å; K248-C624 PolarHBondContact O-N 2.92Å
625	R	92.2	Very high	95.7	Very high	64 Å²	64	41.9 Å²	41.9	24%	0.242	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-97.5	164.4	160.8	-80.5	163.8	168.6	153.4	9.1	109.3	I242 S243 Q245 Y247 E526 S627	I242-R625 HydrophobicContact CG2-CB 3.98Å; I242-R625 WeakPolarHBondContact O-CD 3.49Å; I242-R625 PolarHBondContact O-NE 3.44Å; S243-R625 PolarHBondContact O-NH2 3.33Å; S243-R625 VanDerWaalsContact O-NH2 3.07Å; Q245-R625 HydrophobicContact CB-CG 4.47Å; Q245-R625 PolarHBondContact O-NE 3.16Å; Q245-R625 VanDerWaalsContact O-NE 3.11Å; Y247-R625 HydrophobicContact CD1-CG 3.74Å; Y247-R625 HydrophobicContact CE1-CG 3.87Å; Y247-R625 VanDerWaalsContact CE2-CZ 3.44Å; Y247-R625 HydrophobicContact CG-CG 4.29Å; Y247-R625 PolarHBondContact OH-NH1 2.89Å; Y247-R625 VanDerWaalsContact OH-NH1 3.14Å; E526-R625 IonicContact OE1-CZ 2.75Å; E526-R625 IonicContact OE1-NH1 3.4Å; E526-R625 IonicContact OE1-NH2 3.06Å; E526-R625 PolarHBondContact OE1-NH2 2.86Å; R625-S627 PolarHBondContact O-N 2.94Å
626	P	91.6	Very high	95.8	Very high	38 Å²	38	42.6 Å²	42.6	25%	0.247	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-53.2	132.5	173.1	-26.7	36.4	0	0	0	111.5	Q245 Y630 L631	Q245-P626 HydrophobicContact CB-CG 4.34Å; Q245-P626 HydrophobicContact CG-CG 4.17Å; P626-Y630 HydrophobicContact CB-CD1 3.76Å; P626-Y630 HydrophobicContact CB-CE1 4.17Å; P626-L631 HydrophobicContact CB-CD2 4Å; P626-L631 HydrophobicContact CB-CG 4.11Å
627	S	92.7	Very high	95.8	Very high	60 Å²	60	41.2 Å²	41.2	42%	0.42	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-75.7	159.8	178	68.9	0	0	0	0	111.2	R625 D629 Y630 L631	R625-S627 PolarHBondContact O-N 2.94Å; S627-D629 VanDerWaalsContact C-N 3.27Å; S627-D629 PolarHBondContact O-N 2.77Å; S627-Y630 PolarHBondContact O-N 2.93Å; S627-Y630 WeakPolarHBondContact OG-CB 3.32Å; S627-Y630 PolarHBondContact OG-N 2.6Å; S627-Y630 VanDerWaalsContact OG-N 3.08Å; S627-L631 PolarHBondContact O-N 3.22Å
628	K	94.2	Very high	95.9	Very high	85 Å²	85	41.9 Å²	41.9	37%	0.37	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-43.2	172.5	-68.3	-175.7	179.9	-173.4	0	111.7	V233 N239 I242 Y630 L631 L632	V233-K628 HydrophobicContact CG1-CB 3.83Å; V233-K628 HydrophobicContact CG1-CD 4.5Å; V233-K628 HydrophobicContact CG1-CG 4.38Å; N239-K628 WeakPolarHBondContact OD1-CE 3.31Å; N239-K628 PolarHBondContact OD1-NZ 3.06Å; I242-K628 HydrophobicContact CD1-CG 3.9Å; K628-Y630 PolarHBondContact O-N 2.96Å; K628-L631 PolarHBondContact O-N 2.95Å; K628-L632 WeakPolarHBondContact O-CB 3.49Å; K628-L632 PolarHBondContact O-N 3.28Å
629	D	94.7	Very high	95.9	Very high	127 Å²	127	41.6 Å²	41.6	68%	0.679	20%	0.204	S	C	*	.	H	α-helix	trans	-64.2	-40.6	179	-56.4	-47.3	0	0	0	112	S627 R633	S627-D629 VanDerWaalsContact C-N 3.27Å; S627-D629 PolarHBondContact O-N 2.77Å; D629-R633 VanDerWaalsContact O-CB 3.27Å; D629-R633 WeakPolarHBondContact O-CB 3.31Å; D629-R633 PolarHBondContact O-N 2.63Å
630	Y	94.5	Very high	95.9	Very high	86 Å²	86	43.1 Å²	43.1	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-48.7	174.3	169.2	-93.6	0	0	0	111.1	P626 S627 K628 L632 R633 H634	P626-Y630 HydrophobicContact CB-CD1 3.76Å; P626-Y630 HydrophobicContact CB-CE1 4.17Å; S627-Y630 PolarHBondContact O-N 2.93Å; S627-Y630 WeakPolarHBondContact OG-CB 3.32Å; S627-Y630 PolarHBondContact OG-N 2.6Å; S627-Y630 VanDerWaalsContact OG-N 3.08Å; K628-Y630 PolarHBondContact O-N 2.96Å; Y630-L632 PolarHBondContact O-N 3Å; Y630-R633 PolarHBondContact O-N 3.38Å; Y630-H634 VanDerWaalsContact O-CB 3.32Å; Y630-H634 WeakPolarHBondContact O-CB 3.32Å; Y630-H634 PolarHBondContact O-N 3.14Å
631	L	95.7	Very high	95.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-38.3	-179.2	-68.2	-178.6	0	0	0	112.3	F238 Y241 I242 P626 S627 K628 H634 C635 F717	F238-L631 HydrophobicContact CD1-CB 3.94Å; F238-L631 HydrophobicContact CD1-CD1 3.98Å; F238-L631 HydrophobicContact CE1-CB 4.25Å; Y241-L631 HydrophobicContact CD1-CD1 3.88Å; Y241-L631 HydrophobicContact CE1-CD1 4.2Å; Y241-L631 HydrophobicContact CE1-CD2 4.06Å; I242-L631 HydrophobicContact CD1-CD1 3.9Å; I242-L631 HydrophobicContact CG1-CD1 3.39Å; P626-L631 HydrophobicContact CB-CD2 4Å; P626-L631 HydrophobicContact CB-CG 4.11Å; S627-L631 PolarHBondContact O-N 3.22Å; K628-L631 PolarHBondContact O-N 2.95Å; L631-H634 PolarHBondContact O-N 3.47Å; L631-C635 WeakPolarHBondContact O-CB 3.45Å; L631-C635 PolarHBondContact O-N 2.82Å; L631-C635 PolarHBondContact O-SG 2.86Å; L631-F717 HydrophobicContact CD2-CD1 4.37Å; L631-F717 HydrophobicContact CD2-CE1 4.14Å
632	L	97.5	Very high	95.7	Very high	22 Å²	22	46 Å²	46	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-48.6	173.6	178	56.8	0	0	0	110.8	I229 E230 V233 K628 Y630 H634 C635 K636	I229-L632 HydrophobicContact CG2-CD1 3.88Å; E230-L632 HydrophobicContact CB-CD1 4.06Å; E230-L632 HydrophobicContact CG-CD1 4.49Å; E230-L632 HydrophobicContact CG-CD2 4.12Å; V233-L632 HydrophobicContact CG1-CB 4.43Å; V233-L632 HydrophobicContact CG2-CB 4.27Å; V233-L632 HydrophobicContact CG2-CD1 4.29Å; K628-L632 WeakPolarHBondContact O-CB 3.49Å; K628-L632 PolarHBondContact O-N 3.28Å; Y630-L632 PolarHBondContact O-N 3Å; L632-H634 VanDerWaalsContact C-N 3.31Å; L632-H634 PolarHBondContact O-N 2.91Å; L632-C635 PolarHBondContact O-N 2.78Å; L632-K636 WeakPolarHBondContact O-CG 3.17Å; L632-K636 PolarHBondContact O-N 2.93Å
633	R	97.1	Very high	95.7	Very high	54 Å²	54	43.4 Å²	43.4	20%	0.204	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-43.4	176	-178.6	177.5	66.8	74.4	-6.2	111.4	D629 Y630 K636 Y637 T666 E674	D629-R633 VanDerWaalsContact O-CB 3.27Å; D629-R633 WeakPolarHBondContact O-CB 3.31Å; D629-R633 PolarHBondContact O-N 2.63Å; Y630-R633 PolarHBondContact O-N 3.38Å; R633-K636 PolarHBondContact O-N 3.34Å; R633-Y637 PolarHBondContact O-N 2.72Å; R633-T666 WeakPolarHBondContact CD-O 3.33Å; R633-T666 WeakPolarHBondContact CG-O 3.36Å; R633-T666 PolarHBondContact NH1-O 2.75Å; R633-E674 IonicContact CZ-OE1 3.33Å; R633-E674 IonicContact CZ-OE2 2.78Å; R633-E674 IonicContact NH1-OE1 3.66Å; R633-E674 PolarHBondContact NH1-OE1 3.37Å; R633-E674 IonicContact NH1-OE2 3.18Å; R633-E674 PolarHBondContact NH1-OE2 3.43Å; R633-E674 IonicContact NH2-OE1 2.81Å; R633-E674 PolarHBondContact NH2-OE1 3.47Å; R633-E674 IonicContact NH2-OE2 3.89Å; R633-E674 PolarHBondContact NH2-OE2 3Å
634	H	96.6	Very high	95.8	Very high	53 Å²	53	42.1 Å²	42.1	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178.2	-174.9	67.7	0	0	0	112.2	Y630 L631 L632 K636 Y637 L638 F717	Y630-H634 VanDerWaalsContact O-CB 3.32Å; Y630-H634 WeakPolarHBondContact O-CB 3.32Å; Y630-H634 PolarHBondContact O-N 3.14Å; L631-H634 PolarHBondContact O-N 3.47Å; L632-H634 VanDerWaalsContact C-N 3.31Å; L632-H634 PolarHBondContact O-N 2.91Å; H634-K636 PolarHBondContact O-N 3.1Å; H634-Y637 WeakPolarHBondContact O-CB 3.35Å; H634-Y637 PolarHBondContact O-N 3.47Å; H634-L638 WeakPolarHBondContact O-CG 3.37Å; H634-L638 PolarHBondContact O-N 2.95Å; H634-F717 AromaticContact CD2-CZ 3.9Å
635	C	97.9	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-44.3	174.2	-68.3	0	0	0	0	111.5	I229 L631 L632 Y637 L638 I639 L714	I229-C635 HydrophobicContact CG2-CB 3.75Å; L631-C635 WeakPolarHBondContact O-CB 3.45Å; L631-C635 PolarHBondContact O-N 2.82Å; L631-C635 PolarHBondContact O-SG 2.86Å; L632-C635 PolarHBondContact O-N 2.78Å; C635-Y637 VanDerWaalsContact C-N 3.32Å; C635-Y637 PolarHBondContact O-N 2.96Å; C635-L638 PolarHBondContact O-N 2.94Å; C635-I639 VanDerWaalsContact O-CG1 3.25Å; C635-I639 WeakPolarHBondContact O-CG1 3.49Å; C635-I639 PolarHBondContact O-N 3.06Å; C635-L714 HydrophobicContact CB-CD2 4.01Å
636	K	98.1	Very high	95.8	Very high	41 Å²	41	41.7 Å²	41.7	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-44	173.3	-70.9	-175.4	174.5	179.4	0	110.8	E226 E230 L632 R633 H634 L638 I639 R640 T666	E226-K636 HydrophobicContact CG-CG 4.07Å; E230-K636 IonicContact OE2-NZ 3.52Å; E230-K636 PolarHBondContact OE2-NZ 2.87Å; L632-K636 WeakPolarHBondContact O-CG 3.17Å; L632-K636 PolarHBondContact O-N 2.93Å; R633-K636 PolarHBondContact O-N 3.34Å; H634-K636 PolarHBondContact O-N 3.1Å; K636-L638 PolarHBondContact O-N 2.84Å; K636-I639 PolarHBondContact O-N 2.82Å; K636-R640 WeakPolarHBondContact O-CB 3.31Å; K636-R640 VanDerWaalsContact O-CG 3.23Å; K636-R640 WeakPolarHBondContact O-CG 3.47Å; K636-R640 PolarHBondContact O-N 3.05Å; K636-T666 HydrophobicContact CB-CG2 3.93Å
637	Y	97.6	Very high	95.9	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-48	174	170.2	-94.8	0	0	0	112.3	R633 H634 C635 I639 R640 K641 L663 T666 V667 L681	R633-Y637 PolarHBondContact O-N 2.72Å; H634-Y637 WeakPolarHBondContact O-CB 3.35Å; H634-Y637 PolarHBondContact O-N 3.47Å; C635-Y637 VanDerWaalsContact C-N 3.32Å; C635-Y637 PolarHBondContact O-N 2.96Å; Y637-I639 PolarHBondContact O-N 2.79Å; Y637-R640 PolarHBondContact O-N 2.71Å; Y637-K641 HydrophobicContact CE1-CD 4.01Å; Y637-K641 WeakPolarHBondContact O-CB 3.28Å; Y637-K641 PolarHBondContact O-N 2.76Å; Y637-L663 HydrophobicContact CD2-CD2 4.05Å; Y637-L663 HydrophobicContact CE2-CD2 3.91Å; Y637-T666 WeakPolarHBondContact CA-OG1 3.46Å; Y637-V667 HydrophobicContact CD2-CG2 3.72Å; Y637-V667 HydrophobicContact CE2-CG2 3.82Å; Y637-L681 HydrophobicContact CE2-CD1 4.3Å
638	L	97.8	Very high	95.9	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-45.4	178.6	-67.2	174.9	0	0	0	112.2	H634 C635 K636 H642 L710 T713 L714 F717	H634-L638 WeakPolarHBondContact O-CG 3.37Å; H634-L638 PolarHBondContact O-N 2.95Å; C635-L638 PolarHBondContact O-N 2.94Å; K636-L638 PolarHBondContact O-N 2.84Å; L638-H642 PolarHBondContact O-N 3.41Å; L638-H642 VanDerWaalsContact O-N 3.13Å; L638-L710 HydrophobicContact CB-CD1 3.91Å; L638-T713 HydrophobicContact CD1-CG2 4.11Å; L638-L714 HydrophobicContact CD1-CD2 4.31Å; L638-F717 HydrophobicContact CD1-CE2 4.24Å; L638-F717 HydrophobicContact CD1-CZ 4.49Å
639	I	98.2	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-49.6	179	-66.5	167	0	0	0	110.5	F222 E226 I229 C635 K636 Y637 H642 R643 L714	F222-I639 HydrophobicContact CB-CG2 3.9Å; F222-I639 HydrophobicContact CD1-CG2 3.78Å; F222-I639 HydrophobicContact CG-CG2 4.33Å; E226-I639 HydrophobicContact CG-CB 4.36Å; E226-I639 HydrophobicContact CG-CD1 3.92Å; E226-I639 HydrophobicContact CG-CG2 3.96Å; I229-I639 HydrophobicContact CG1-CD1 4.14Å; C635-I639 VanDerWaalsContact O-CG1 3.25Å; C635-I639 WeakPolarHBondContact O-CG1 3.49Å; C635-I639 PolarHBondContact O-N 3.06Å; K636-I639 PolarHBondContact O-N 2.82Å; Y637-I639 PolarHBondContact O-N 2.79Å; I639-H642 WeakPolarHBondContact O-CB 3.4Å; I639-H642 PolarHBondContact O-N 2.78Å; I639-R643 PolarHBondContact O-N 2.9Å; I639-L714 HydrophobicContact CD1-CD1 4.17Å; I639-L714 HydrophobicContact CG1-CD1 3.89Å; I639-L714 HydrophobicContact CG1-CD2 4.44Å
640	R	97.7	Very high	95.4	Very high	34 Å²	34	44.1 Å²	44.1	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-36.9	-179.4	-63.9	-166.6	-171.2	-171.1	-4.2	112.3	E226 K636 Y637 H642 R643 F644 Y658 D662 L663 I665	E226-R640 WeakPolarHBondContact OE1-CG 3.25Å; E226-R640 IonicContact OE1-CZ 3.43Å; E226-R640 IonicContact OE1-NE 3.54Å; E226-R640 PolarHBondContact OE1-NE 2.8Å; E226-R640 IonicContact OE1-NH2 3.94Å; E226-R640 IonicContact OE2-CZ 2.73Å; E226-R640 IonicContact OE2-NE 2.82Å; E226-R640 PolarHBondContact OE2-NE 2.7Å; E226-R640 IonicContact OE2-NH2 2.69Å; E226-R640 PolarHBondContact OE2-NH2 3.5Å; K636-R640 WeakPolarHBondContact O-CB 3.31Å; K636-R640 VanDerWaalsContact O-CG 3.23Å; K636-R640 WeakPolarHBondContact O-CG 3.47Å; K636-R640 PolarHBondContact O-N 3.05Å; Y637-R640 PolarHBondContact O-N 2.71Å; R640-H642 VanDerWaalsContact C-N 3.3Å; R640-H642 PolarHBondContact O-N 3.23Å; R640-R643 PolarHBondContact O-N 3.1Å; R640-F644 WeakPolarHBondContact O-CB 3.45Å; R640-F644 PolarHBondContact O-N 3.49Å; R640-Y658 HydrophobicContact CB-CE1 4.15Å; R640-Y658 WeakPolarHBondContact CB-OH 3.32Å; R640-Y658 WeakPolarHBondContact CG-OH 3.48Å; R640-Y658 WeakPolarHBondContact O-CE1 3.16Å; R640-D662 VanDerWaalsContact CD-O 3.31Å; R640-D662 WeakPolarHBondContact CD-O 3.42Å; R640-D662 PolarHBondContact NH1-O 2.89Å; R640-L663 HydrophobicContact CB-CB 4.49Å; R640-L663 HydrophobicContact CB-CD1 4.4Å; R640-L663 HydrophobicContact CB-CG 4.18Å; R640-I665 VanDerWaalsContact NH1-CD1 3.34Å
641	K	96.3	Very high	95.4	Very high	63 Å²	63	43.7 Å²	43.7	27%	0.274	20%	0.203	S	C	.	.	H	α-helix	trans	-56.6	-46.3	172.8	176.9	-179.4	171.5	178.4	0	111.2	Y637 F644 E645 L663 L681	Y637-K641 HydrophobicContact CE1-CD 4.01Å; Y637-K641 WeakPolarHBondContact O-CB 3.28Å; Y637-K641 PolarHBondContact O-N 2.76Å; K641-F644 WeakPolarHBondContact O-CB 3.41Å; K641-F644 PolarHBondContact O-N 3.33Å; K641-E645 WeakPolarHBondContact CE-OE1 3.19Å; K641-E645 WeakPolarHBondContact O-CG 3.36Å; K641-E645 PolarHBondContact O-N 3.17Å; K641-L663 HydrophobicContact CB-CD1 4.22Å; K641-L681 HydrophobicContact CD-CD2 4.03Å; K641-L681 HydrophobicContact CG-CD1 4.41Å; K641-L681 HydrophobicContact CG-CD2 3.99Å
642	H	95.5	Very high	95.2	Very high	18 Å²	18	46.5 Å²	46.5	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-46.7	177.2	-158.5	85.2	0	0	0	112.5	F222 L638 I639 R640 F644 E645 E646 Q706 L710	F222-H642 HydrophobicContact CE1-CB 4.42Å; F222-H642 AromaticContact CE1-CD2 3.97Å; L638-H642 PolarHBondContact O-N 3.41Å; L638-H642 VanDerWaalsContact O-N 3.13Å; I639-H642 WeakPolarHBondContact O-CB 3.4Å; I639-H642 PolarHBondContact O-N 2.78Å; R640-H642 VanDerWaalsContact C-N 3.3Å; R640-H642 PolarHBondContact O-N 3.23Å; H642-F644 PolarHBondContact O-N 3.25Å; H642-E645 PolarHBondContact O-N 3.46Å; H642-E645 VanDerWaalsContact O-N 3.1Å; H642-E646 IonicContact CD2-OE1 3.49Å; H642-E646 IonicContact NE2-OE1 3.93Å; H642-E646 PolarHBondContact O-N 2.98Å; H642-Q706 PolarHBondContact CE1-O 3.4Å; H642-Q706 VanDerWaalsContact CE1-O 3.23Å; H642-L710 HydrophobicContact CB-CD2 3.64Å
643	R	96	Very high	95	Very high	52 Å²	52	51.7 Å²	51.7	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-37.5	175.2	-169.7	-178.3	-169.8	177.2	5.8	112	F222 D223 I639 R640 K647 Y658	F222-R643 HydrophobicContact CD1-CB 4.01Å; F222-R643 HydrophobicContact CD2-CB 3.92Å; F222-R643 HydrophobicContact CD2-CG 3.59Å; F222-R643 HydrophobicContact CE1-CB 4.14Å; F222-R643 HydrophobicContact CE2-CB 4.05Å; F222-R643 HydrophobicContact CE2-CG 3.84Å; F222-R643 HydrophobicContact CG-CB 3.91Å; F222-R643 HydrophobicContact CG-CG 3.99Å; F222-R643 HydrophobicContact CZ-CB 4.15Å; F222-R643 HydrophobicContact CZ-CG 4.44Å; D223-R643 VanDerWaalsContact CG-NH1 3.26Å; D223-R643 IonicContact OD1-CZ 3.31Å; D223-R643 IonicContact OD1-NH1 3.56Å; D223-R643 PolarHBondContact OD1-NH1 2.62Å; D223-R643 IonicContact OD1-NH2 3.78Å; D223-R643 IonicContact OD2-CZ 3.57Å; D223-R643 IonicContact OD2-NH1 2.72Å; D223-R643 PolarHBondContact OD2-NH1 3.28Å; D223-R643 IonicContact OD2-NH2 2.66Å; D223-R643 PolarHBondContact OD2-NH2 3.31Å; I639-R643 PolarHBondContact O-N 2.9Å; R640-R643 PolarHBondContact O-N 3.1Å; R643-K647 HydrophobicContact CG-CD 4.43Å; R643-K647 WeakPolarHBondContact O-CB 3.48Å; R643-K647 VanDerWaalsContact O-CG 3.26Å; R643-K647 WeakPolarHBondContact O-CG 3.23Å; R643-K647 PolarHBondContact O-N 2.86Å; R643-Y658 HydrophobicContact CB-CE1 4.31Å; R643-Y658 WeakPolarHBondContact CD-OH 3.41Å; R643-Y658 HydrophobicContact CG-CE1 4.48Å
644	F	96.1	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-44.7	174.3	164.9	-104.4	0	0	0	111.6	R640 K641 H642 K647 A648 A655 Y658 L659 L663 L681 A684 L685	R640-F644 WeakPolarHBondContact O-CB 3.45Å; R640-F644 PolarHBondContact O-N 3.49Å; K641-F644 WeakPolarHBondContact O-CB 3.41Å; K641-F644 PolarHBondContact O-N 3.33Å; H642-F644 PolarHBondContact O-N 3.25Å; F644-K647 CarbonylContact O-C 3.42Å; F644-K647 PolarHBondContact O-N 2.61Å; F644-A648 HydrophobicContact CZ-CB 4.49Å; F644-A648 WeakPolarHBondContact O-CB 3.27Å; F644-A648 PolarHBondContact O-N 2.82Å; F644-A655 HydrophobicContact CD2-CB 4.07Å; F644-A655 WeakPolarHBondContact CD2-O 3.06Å; F644-A655 HydrophobicContact CE2-CB 3.95Å; F644-A655 WeakPolarHBondContact CE2-O 3.09Å; F644-Y658 HydrophobicContact CB-CD1 3.91Å; F644-Y658 HydrophobicContact CB-CE1 4.12Å; F644-L659 HydrophobicContact CD2-CB 3.85Å; F644-L659 HydrophobicContact CD2-CD1 4.36Å; F644-L659 HydrophobicContact CE1-CD1 4.41Å; F644-L659 HydrophobicContact CE2-CB 3.66Å; F644-L659 HydrophobicContact CE2-CD1 4.26Å; F644-L659 HydrophobicContact CE2-CD2 4.02Å; F644-L659 HydrophobicContact CE2-CG 4.2Å; F644-L659 HydrophobicContact CG-CD1 4.48Å; F644-L659 HydrophobicContact CZ-CB 4.38Å; F644-L659 HydrophobicContact CZ-CD1 4.28Å; F644-L659 HydrophobicContact CZ-CD2 3.94Å; F644-L659 HydrophobicContact CZ-CG 4.44Å; F644-L663 HydrophobicContact CB-CD1 3.76Å; F644-L663 HydrophobicContact CG-CD1 4.22Å; F644-L681 HydrophobicContact CD1-CB 4.45Å; F644-L681 HydrophobicContact CE1-CB 3.92Å; F644-L681 VanDerWaalsContact CE1-O 3.29Å; F644-L681 WeakPolarHBondContact CE1-O 3.49Å; F644-L681 WeakPolarHBondContact CZ-O 3.28Å; F644-A684 HydrophobicContact CE1-CB 3.9Å; F644-A684 HydrophobicContact CZ-CB 4.38Å; F644-L685 HydrophobicContact CE2-CD2 3.86Å; F644-L685 HydrophobicContact CE2-CG 4.32Å; F644-L685 HydrophobicContact CZ-CD2 4.02Å; F644-L685 HydrophobicContact CZ-CG 4.04Å
645	E	93.3	Very high	94.8	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-42.1	177.9	-71.8	171.8	172.9	0	0	111.8	K641 H642 A648 Q649	K641-E645 WeakPolarHBondContact CE-OE1 3.19Å; K641-E645 WeakPolarHBondContact O-CG 3.36Å; K641-E645 PolarHBondContact O-N 3.17Å; H642-E645 PolarHBondContact O-N 3.46Å; H642-E645 VanDerWaalsContact O-N 3.1Å; E645-A648 PolarHBondContact O-N 3.11Å; E645-Q649 WeakPolarHBondContact O-CG 3.47Å; E645-Q649 PolarHBondContact O-N 3.07Å
646	E	92.8	Very high	94.7	Very high	32 Å²	32	51.5 Å²	51.5	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-44.8	172.6	-71	-172.4	-167.8	0	0	111.8	H642 A648 Q649 M650 R707	H642-E646 IonicContact CD2-OE1 3.49Å; H642-E646 IonicContact NE2-OE1 3.93Å; H642-E646 PolarHBondContact O-N 2.98Å; E646-A648 VanDerWaalsContact C-N 3.33Å; E646-A648 PolarHBondContact O-N 3.1Å; E646-Q649 PolarHBondContact O-N 3.34Å; E646-M650 WeakPolarHBondContact O-CG 3.37Å; E646-M650 PolarHBondContact O-N 3Å; E646-R707 IonicContact OE1-CZ 3.84Å; E646-R707 IonicContact OE1-NE 3.45Å; E646-R707 PolarHBondContact OE1-NE 2.81Å; E646-R707 IonicContact OE1-NH2 3.07Å; E646-R707 PolarHBondContact OE1-NH2 3.47Å; E646-R707 IonicContact OE2-CZ 2.69Å; E646-R707 IonicContact OE2-NE 2.73Å; E646-R707 IonicContact OE2-NH2 3.39Å; E646-R707 PolarHBondContact OE2-NH2 3.15Å
647	K	93.7	Very high	94.6	Very high	60 Å²	60	56.2 Å²	56.2	26%	0.261	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.6	-77.1	177.4	172.7	-61.4	0	111.9	R643 F644 Q649 M650 D651 A655 Y658	R643-K647 HydrophobicContact CG-CD 4.43Å; R643-K647 WeakPolarHBondContact O-CB 3.48Å; R643-K647 VanDerWaalsContact O-CG 3.26Å; R643-K647 WeakPolarHBondContact O-CG 3.23Å; R643-K647 PolarHBondContact O-N 2.86Å; F644-K647 CarbonylContact O-C 3.42Å; F644-K647 PolarHBondContact O-N 2.61Å; K647-Q649 PolarHBondContact O-N 3.13Å; K647-M650 PolarHBondContact O-N 3.4Å; K647-M650 VanDerWaalsContact O-N 3.12Å; K647-D651 CarbonylContact O-C 3.46Å; K647-D651 VanDerWaalsContact O-C 3.23Å; K647-D651 PolarHBondContact O-N 3.43Å; K647-D651 VanDerWaalsContact O-O 3.12Å; K647-A655 HydrophobicContact CB-CB 3.74Å; K647-Y658 HydrophobicContact CD-CD1 4.26Å; K647-Y658 HydrophobicContact CD-CD2 4.3Å; K647-Y658 HydrophobicContact CD-CG 3.94Å
648	A	92.7	Very high	94.6	Very high	8 Å²	8	56.1 Å²	56.1	7%	0.066	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-32.1	-177.9	0	0	0	0	0	111.9	F644 E645 E646 P652 A655 L685	F644-A648 HydrophobicContact CZ-CB 4.49Å; F644-A648 WeakPolarHBondContact O-CB 3.27Å; F644-A648 PolarHBondContact O-N 2.82Å; E645-A648 PolarHBondContact O-N 3.11Å; E646-A648 VanDerWaalsContact C-N 3.33Å; E646-A648 PolarHBondContact O-N 3.1Å; A648-P652 WeakPolarHBondContact O-CG 3.45Å; A648-A655 VanDerWaalsContact CA-CB 3.48Å; A648-A655 HydrophobicContact CB-CB 4Å; A648-L685 HydrophobicContact CB-CD2 4.09Å
649	Q	89.1	Confident	94.5	Very high	125 Å²	125	55 Å²	55	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-73.7	-34.4	174.6	-65.6	177.8	11.8	0	0	112.8	E645 E646 K647	E645-Q649 WeakPolarHBondContact O-CG 3.47Å; E645-Q649 PolarHBondContact O-N 3.07Å; E646-Q649 PolarHBondContact O-N 3.34Å; K647-Q649 PolarHBondContact O-N 3.13Å
650	M	89.7	Confident	94.4	Very high	168 Å²	168	60.3 Å²	60.3	83%	0.828	30%	0.295	S	S	*	.	H	α-helix	trans	-91.2	-45.9	-173.5	-64.7	-63.9	-69.6	0	0	113.7	E646 K647	E646-M650 WeakPolarHBondContact O-CG 3.37Å; E646-M650 PolarHBondContact O-N 3Å; K647-M650 PolarHBondContact O-N 3.4Å; K647-M650 VanDerWaalsContact O-N 3.12Å
651	D	93.5	Very high	94.3	Very high	78 Å²	78	63.6 Å²	63.6	42%	0.417	32%	0.315	S	S	.	.			trans	-148.8	91.7	-179.1	177.8	-0.4	0	0	0	109.8	K647 L653 S654 A655	K647-D651 CarbonylContact O-C 3.46Å; K647-D651 VanDerWaalsContact O-C 3.23Å; K647-D651 PolarHBondContact O-N 3.43Å; K647-D651 VanDerWaalsContact O-O 3.12Å; D651-L653 PolarHBondContact O-N 3.33Å; D651-L653 VanDerWaalsContact O-N 3.16Å; D651-L653 PolarHBondContact OD1-N 2.85Å; D651-S654 VanDerWaalsContact CG-CB 3.44Å; D651-S654 PolarHBondContact O-N 2.95Å; D651-S654 PolarHBondContact OD1-N 3.01Å; D651-S654 VanDerWaalsContact OD1-N 3.08Å; D651-S654 WeakPolarHBondContact OD2-CB 3.29Å; D651-A655 WeakPolarHBondContact O-CB 3.37Å; D651-A655 PolarHBondContact O-N 3.43Å
652	P	92.2	Very high	94.3	Very high	62 Å²	62	63.8 Å²	63.8	40%	0.403	32%	0.319	S	S	.	.	H	α-helix	trans	-56.3	-30.4	179.4	-26.1	32.7	0	0	0	114.4	A648 L656 L685	A648-P652 WeakPolarHBondContact O-CG 3.45Å; P652-L656 WeakPolarHBondContact O-CB 3.47Å; P652-L656 PolarHBondContact O-N 3.42Å; P652-L685 HydrophobicContact CB-CD2 4.38Å; P652-L685 WeakPolarHBondContact O-CD2 3.24Å
653	L	92.8	Very high	94.3	Very high	131 Å²	131	62.9 Å²	62.9	69%	0.686	32%	0.315	S	S	*	.	H	α-helix	trans	-75.7	-41.6	-179.8	-76.1	163.1	0	0	0	111.4	D651 A655 K657	D651-L653 PolarHBondContact O-N 3.33Å; D651-L653 VanDerWaalsContact O-N 3.16Å; D651-L653 PolarHBondContact OD1-N 2.85Å; L653-A655 VanDerWaalsContact C-N 3.33Å; L653-K657 PolarHBondContact O-N 3.38Å
654	S	95	Very high	94.3	Very high	40 Å²	40	65.7 Å²	65.7	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-42.1	169.9	175.2	0	0	0	0	111.2	D651 L656 K657 Y658	D651-S654 VanDerWaalsContact CG-CB 3.44Å; D651-S654 PolarHBondContact O-N 2.95Å; D651-S654 PolarHBondContact OD1-N 3.01Å; D651-S654 VanDerWaalsContact OD1-N 3.08Å; D651-S654 WeakPolarHBondContact OD2-CB 3.29Å; S654-L656 VanDerWaalsContact C-N 3.35Å; S654-L656 PolarHBondContact O-N 2.91Å; S654-K657 PolarHBondContact O-N 3.42Å; S654-Y658 PolarHBondContact O-N 3.29Å
655	A	95.2	Very high	94.3	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-42.6	178.5	0	0	0	0	0	112.2	F644 K647 A648 D651 L653 K657 Y658 L659 L685	F644-A655 HydrophobicContact CD2-CB 4.07Å; F644-A655 WeakPolarHBondContact CD2-O 3.06Å; F644-A655 HydrophobicContact CE2-CB 3.95Å; F644-A655 WeakPolarHBondContact CE2-O 3.09Å; K647-A655 HydrophobicContact CB-CB 3.74Å; A648-A655 VanDerWaalsContact CA-CB 3.48Å; A648-A655 HydrophobicContact CB-CB 4Å; D651-A655 WeakPolarHBondContact O-CB 3.37Å; D651-A655 PolarHBondContact O-N 3.43Å; L653-A655 VanDerWaalsContact C-N 3.33Å; A655-K657 PolarHBondContact O-N 3.2Å; A655-Y658 WeakPolarHBondContact O-CB 3.38Å; A655-Y658 PolarHBondContact O-N 3.17Å; A655-L659 WeakPolarHBondContact O-CB 3.47Å; A655-L659 PolarHBondContact O-N 3.42Å; A655-L685 HydrophobicContact CB-CD2 3.69Å
656	L	95.4	Very high	94.5	Very high	63 Å²	63	68.4 Å²	68.4	33%	0.33	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.3	178.8	62.1	0	0	0	112	P652 S654 Y658 L659 Q660 L685	P652-L656 WeakPolarHBondContact O-CB 3.47Å; P652-L656 PolarHBondContact O-N 3.42Å; S654-L656 VanDerWaalsContact C-N 3.35Å; S654-L656 PolarHBondContact O-N 2.91Å; L656-Y658 VanDerWaalsContact C-N 3.3Å; L656-Y658 PolarHBondContact O-N 3.17Å; L656-L659 PolarHBondContact O-N 2.92Å; L656-Q660 HydrophobicContact CD1-CG 4.38Å; L656-Q660 VanDerWaalsContact O-CG 3.31Å; L656-Q660 WeakPolarHBondContact O-CG 3.44Å; L656-Q660 PolarHBondContact O-N 2.86Å; L656-L685 HydrophobicContact CB-CD1 4.11Å; L656-L685 HydrophobicContact CD1-CD1 3.8Å; L656-L685 HydrophobicContact CG-CD1 4.47Å
657	K	96.2	Very high	94.6	Very high	140 Å²	140	67.4 Å²	67.4	61%	0.609	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-40.5	175.7	-70.5	178.8	180	176.9	0	111.7	L653 S654 A655 Q660 N661	L653-K657 PolarHBondContact O-N 3.38Å; S654-K657 PolarHBondContact O-N 3.42Å; A655-K657 PolarHBondContact O-N 3.2Å; K657-Q660 PolarHBondContact O-N 2.87Å; K657-N661 WeakPolarHBondContact O-CB 3.31Å; K657-N661 PolarHBondContact O-N 2.9Å; K657-N661 PolarHBondContact O-ND2 2.77Å; K657-N661 VanDerWaalsContact O-ND2 3.12Å
658	Y	96.9	Very high	94.6	Very high	13 Å²	13	67.4 Å²	67.4	5%	0.051	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.8	-174.7	-96.2	0	0	0	112	R640 R643 F644 K647 S654 A655 L656 Q660 D662 L663	R640-Y658 HydrophobicContact CB-CE1 4.15Å; R640-Y658 WeakPolarHBondContact CB-OH 3.32Å; R640-Y658 WeakPolarHBondContact CG-OH 3.48Å; R640-Y658 WeakPolarHBondContact O-CE1 3.16Å; R643-Y658 HydrophobicContact CB-CE1 4.31Å; R643-Y658 WeakPolarHBondContact CD-OH 3.41Å; R643-Y658 HydrophobicContact CG-CE1 4.48Å; F644-Y658 HydrophobicContact CB-CD1 3.91Å; F644-Y658 HydrophobicContact CB-CE1 4.12Å; K647-Y658 HydrophobicContact CD-CD1 4.26Å; K647-Y658 HydrophobicContact CD-CD2 4.3Å; K647-Y658 HydrophobicContact CD-CG 3.94Å; S654-Y658 PolarHBondContact O-N 3.29Å; A655-Y658 WeakPolarHBondContact O-CB 3.38Å; A655-Y658 PolarHBondContact O-N 3.17Å; L656-Y658 VanDerWaalsContact C-N 3.3Å; L656-Y658 PolarHBondContact O-N 3.17Å; Y658-Q660 VanDerWaalsContact C-N 3.32Å; Y658-Q660 PolarHBondContact O-N 3.42Å; Y658-D662 HydrophobicContact CD2-CB 3.52Å; Y658-D662 WeakPolarHBondContact CD2-OD2 3.45Å; Y658-D662 HydrophobicContact CE1-CB 4.38Å; Y658-D662 HydrophobicContact CE2-CB 3.34Å; Y658-D662 HydrophobicContact CG-CB 4.12Å; Y658-D662 WeakPolarHBondContact O-CA 3.37Å; Y658-D662 WeakPolarHBondContact O-CB 3.23Å; Y658-D662 PolarHBondContact O-N 3.18Å; Y658-L663 PolarHBondContact O-N 2.97Å
659	L	96.2	Very high	94.7	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.047	35%	0.352	C	S	.	.	I	π-helix	trans	-59.1	-44.5	174.1	-177.1	65.1	0	0	0	111.6	F644 A655 L656 L663 Y664 F678 L681 A682	F644-L659 HydrophobicContact CD2-CB 3.85Å; F644-L659 HydrophobicContact CD2-CD1 4.36Å; F644-L659 HydrophobicContact CE1-CD1 4.41Å; F644-L659 HydrophobicContact CE2-CB 3.66Å; F644-L659 HydrophobicContact CE2-CD1 4.26Å; F644-L659 HydrophobicContact CE2-CD2 4.02Å; F644-L659 HydrophobicContact CE2-CG 4.2Å; F644-L659 HydrophobicContact CG-CD1 4.48Å; F644-L659 HydrophobicContact CZ-CB 4.38Å; F644-L659 HydrophobicContact CZ-CD1 4.28Å; F644-L659 HydrophobicContact CZ-CD2 3.94Å; F644-L659 HydrophobicContact CZ-CG 4.44Å; A655-L659 WeakPolarHBondContact O-CB 3.47Å; A655-L659 PolarHBondContact O-N 3.42Å; L656-L659 PolarHBondContact O-N 2.92Å; L659-L663 HydrophobicContact CD1-CB 4.31Å; L659-L663 HydrophobicContact CD1-CD1 4.12Å; L659-L663 HydrophobicContact CD1-CD2 4.12Å; L659-L663 HydrophobicContact CD1-CG 4.44Å; L659-Y664 PolarHBondContact O-N 2.89Å; L659-Y664 VanDerWaalsContact O-N 3.12Å; L659-F678 HydrophobicContact CD1-CD2 4.18Å; L659-F678 HydrophobicContact CD1-CE2 3.57Å; L659-F678 HydrophobicContact CD1-CZ 4.16Å; L659-F678 HydrophobicContact CG-CE2 4.13Å; L659-F678 HydrophobicContact CG-CZ 4.24Å; L659-L681 HydrophobicContact CD1-CB 4.02Å; L659-L681 HydrophobicContact CD1-CD1 4.13Å; L659-A682 HydrophobicContact CD2-CB 4.3Å
660	Q	95.6	Very high	94.9	Very high	111 Å²	111	69 Å²	69	52%	0.519	36%	0.357	S	S	.	.	I	π-helix	trans	-72.1	-34.7	-176.2	-73.3	174.6	-21.5	0	0	114	L656 K657 Y658 Y664	L656-Q660 HydrophobicContact CD1-CG 4.38Å; L656-Q660 VanDerWaalsContact O-CG 3.31Å; L656-Q660 WeakPolarHBondContact O-CG 3.44Å; L656-Q660 PolarHBondContact O-N 2.86Å; K657-Q660 PolarHBondContact O-N 2.87Å; Y658-Q660 VanDerWaalsContact C-N 3.32Å; Y658-Q660 PolarHBondContact O-N 3.42Å; Q660-Y664 WeakPolarHBondContact O-CB 3.21Å
661	N	95.4	Very high	95	Very high	103 Å²	103	63.7 Å²	63.7	55%	0.551	33%	0.332	S	S	*	.	I	π-helix	trans	-105.9	-50.1	-172.7	-61.1	-41.6	0	0	0	112.6	K657	K657-N661 WeakPolarHBondContact O-CB 3.31Å; K657-N661 PolarHBondContact O-N 2.9Å; K657-N661 PolarHBondContact O-ND2 2.77Å; K657-N661 VanDerWaalsContact O-ND2 3.12Å
662	D	96.6	Very high	94.9	Very high	66 Å²	66	65 Å²	65	35%	0.353	35%	0.345	S	S	.	.	I	π-helix	trans	-92.4	-43	-168.2	-56.7	-93.3	0	0	0	112.2	R640 Y658 I665	R640-D662 VanDerWaalsContact CD-O 3.31Å; R640-D662 WeakPolarHBondContact CD-O 3.42Å; R640-D662 PolarHBondContact NH1-O 2.89Å; Y658-D662 HydrophobicContact CD2-CB 3.52Å; Y658-D662 WeakPolarHBondContact CD2-OD2 3.45Å; Y658-D662 HydrophobicContact CE1-CB 4.38Å; Y658-D662 HydrophobicContact CE2-CB 3.34Å; Y658-D662 HydrophobicContact CG-CB 4.12Å; Y658-D662 WeakPolarHBondContact O-CA 3.37Å; Y658-D662 WeakPolarHBondContact O-CB 3.23Å; Y658-D662 PolarHBondContact O-N 3.18Å; D662-I665 WeakPolarHBondContact O-CG1 3.48Å
663	L	95.9	Very high	95	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-77.4	-40.4	178.9	-161.3	156.1	0	0	0	110.9	Y637 R640 K641 F644 Y658 L659 I665 T666 V667 F678 L681	Y637-L663 HydrophobicContact CD2-CD2 4.05Å; Y637-L663 HydrophobicContact CE2-CD2 3.91Å; R640-L663 HydrophobicContact CB-CB 4.49Å; R640-L663 HydrophobicContact CB-CD1 4.4Å; R640-L663 HydrophobicContact CB-CG 4.18Å; K641-L663 HydrophobicContact CB-CD1 4.22Å; F644-L663 HydrophobicContact CB-CD1 3.76Å; F644-L663 HydrophobicContact CG-CD1 4.22Å; Y658-L663 PolarHBondContact O-N 2.97Å; L659-L663 HydrophobicContact CD1-CB 4.31Å; L659-L663 HydrophobicContact CD1-CD1 4.12Å; L659-L663 HydrophobicContact CD1-CD2 4.12Å; L659-L663 HydrophobicContact CD1-CG 4.44Å; L663-I665 PolarHBondContact O-N 3.29Å; L663-I665 VanDerWaalsContact O-N 3.1Å; L663-T666 PolarHBondContact O-N 2.73Å; L663-T666 PolarHBondContact O-OG1 2.74Å; L663-V667 HydrophobicContact CD2-CG2 4.2Å; L663-F678 HydrophobicContact CD2-CD2 3.43Å; L663-F678 VanDerWaalsContact CD2-CD2 3.43Å; L663-F678 HydrophobicContact CD2-CE2 3.53Å; L663-L681 HydrophobicContact CD1-CD1 3.97Å; L663-L681 HydrophobicContact CD2-CD1 3.71Å
664	Y	96.7	Very high	95.1	Very high	110 Å²	110	64.4 Å²	64.4	43%	0.431	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-47.6	-40.8	179.3	176.3	-92.1	0	0	0	113.8	L659 Q660 T666 V667 H669 F678	L659-Y664 PolarHBondContact O-N 2.89Å; L659-Y664 VanDerWaalsContact O-N 3.12Å; Q660-Y664 WeakPolarHBondContact O-CB 3.21Å; Y664-T666 PolarHBondContact O-N 3.42Å; Y664-V667 PolarHBondContact O-N 2.97Å; Y664-H669 AromaticContact CD2-CE1 3.47Å; Y664-H669 VanDerWaalsContact CD2-CE1 3.47Å; Y664-H669 WeakPolarHBondContact CD2-CE1 3.3Å; Y664-H669 AromaticContact CD2-NE2 3.31Å; Y664-H669 VanDerWaalsContact CD2-NE2 3.31Å; Y664-H669 WeakPolarHBondContact CD2-NE2 3.23Å; Y664-H669 AromaticContact CE1-NE2 3.92Å; Y664-H669 AromaticContact CE2-CD2 3.76Å; Y664-H669 AromaticContact CE2-CE1 3.32Å; Y664-H669 WeakPolarHBondContact CE2-CE1 3.31Å; Y664-H669 AromaticContact CE2-ND1 3.95Å; Y664-H669 AromaticContact CE2-NE2 3.17Å; Y664-H669 WeakPolarHBondContact CE2-NE2 3.36Å; Y664-H669 AromaticContact CG-NE2 3.75Å; Y664-H669 AromaticContact CZ-CD2 3.67Å; Y664-H669 AromaticContact CZ-NE2 3.49Å; Y664-H669 PolarHBondContact O-NE2 2.79Å; Y664-F678 AromaticContact CD2-CE1 3.92Å; Y664-F678 HydrophobicContact CD2-CE1 3.92Å; Y664-F678 AromaticContact CD2-CZ 3.84Å; Y664-F678 HydrophobicContact CD2-CZ 3.84Å; Y664-F678 HydrophobicContact CG-CZ 4.42Å
665	I	96	Very high	95.1	Very high	113 Å²	113	63.7 Å²	63.7	58%	0.579	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-73.5	-12.3	-177	59.4	160.3	0	0	0	114.2	R640 D662 L663 V667	R640-I665 VanDerWaalsContact NH1-CD1 3.34Å; D662-I665 WeakPolarHBondContact O-CG1 3.48Å; L663-I665 PolarHBondContact O-N 3.29Å; L663-I665 VanDerWaalsContact O-N 3.1Å; I665-V667 VanDerWaalsContact C-N 3.35Å
666	T	96.3	Very high	95.1	Very high	5 Å²	5	70.2 Å²	70.2	3%	0.031	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-89.3	-3.9	176.6	65.3	0	0	0	0	113	R633 K636 Y637 L663 Y664	R633-T666 WeakPolarHBondContact CD-O 3.33Å; R633-T666 WeakPolarHBondContact CG-O 3.36Å; R633-T666 PolarHBondContact NH1-O 2.75Å; K636-T666 HydrophobicContact CB-CG2 3.93Å; Y637-T666 WeakPolarHBondContact CA-OG1 3.46Å; L663-T666 PolarHBondContact O-N 2.73Å; L663-T666 PolarHBondContact O-OG1 2.74Å; Y664-T666 PolarHBondContact O-N 3.42Å
667	V	95.9	Very high	95	Very high	10 Å²	10	72.3 Å²	72.3	6%	0.061	36%	0.364	C	S	.	.	S	Bend	trans	-104.4	133.7	-175.6	178.6	0	0	0	0	109.6	Y637 L663 Y664 I665 H669 E674 F678	Y637-V667 HydrophobicContact CD2-CG2 3.72Å; Y637-V667 HydrophobicContact CE2-CG2 3.82Å; L663-V667 HydrophobicContact CD2-CG2 4.2Å; Y664-V667 PolarHBondContact O-N 2.97Å; I665-V667 VanDerWaalsContact C-N 3.35Å; V667-H669 PolarHBondContact O-CD2 3.12Å; V667-H669 VanDerWaalsContact O-CD2 3.26Å; V667-H669 PolarHBondContact O-N 3.07Å; V667-E674 HydrophobicContact CG1-CB 4.04Å; V667-F678 HydrophobicContact CG1-CB 3.96Å; V667-F678 HydrophobicContact CG1-CG 4.37Å; V667-F678 HydrophobicContact CG2-CB 4Å; V667-F678 HydrophobicContact CG2-CD2 3.71Å; V667-F678 HydrophobicContact CG2-CE2 4.48Å; V667-F678 HydrophobicContact CG2-CG 4.02Å
668	D	93.9	Very high	94.9	Very high	61 Å²	61	66.9 Å²	66.9	33%	0.326	34%	0.34	S	S	.	.			trans	-82.7	96.8	170	-174.8	-6.3	0	0	0	109.5	S670 D671 E674	D668-S670 VanDerWaalsContact CG-OG 3.3Å; D668-S670 PolarHBondContact O-N 3.49Å; D668-S670 VanDerWaalsContact O-N 3.11Å; D668-S670 VanDerWaalsContact OD1-CB 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.37Å; D668-S670 PolarHBondContact OD1-N 3.07Å; D668-S670 PolarHBondContact OD1-OG 3.12Å; D668-S670 PolarHBondContact OD2-OG 2.73Å; D668-D671 HydrophobicContact CB-CB 4.42Å; D668-D671 WeakPolarHBondContact O-CB 3.45Å; D668-D671 PolarHBondContact O-N 3.42Å; D668-E674 PolarHBondContact N-OE2 3.45Å
669	H	93.4	Very high	94.8	Very high	66 Å²	66	72.2 Å²	72.2	31%	0.306	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.4	-179.9	-60.9	-80	0	0	0	113.7	Y664 V667 T675 F678	Y664-H669 AromaticContact CD2-CE1 3.47Å; Y664-H669 VanDerWaalsContact CD2-CE1 3.47Å; Y664-H669 WeakPolarHBondContact CD2-CE1 3.3Å; Y664-H669 AromaticContact CD2-NE2 3.31Å; Y664-H669 VanDerWaalsContact CD2-NE2 3.31Å; Y664-H669 WeakPolarHBondContact CD2-NE2 3.23Å; Y664-H669 AromaticContact CE1-NE2 3.92Å; Y664-H669 AromaticContact CE2-CD2 3.76Å; Y664-H669 AromaticContact CE2-CE1 3.32Å; Y664-H669 WeakPolarHBondContact CE2-CE1 3.31Å; Y664-H669 AromaticContact CE2-ND1 3.95Å; Y664-H669 AromaticContact CE2-NE2 3.17Å; Y664-H669 WeakPolarHBondContact CE2-NE2 3.36Å; Y664-H669 AromaticContact CG-NE2 3.75Å; Y664-H669 AromaticContact CZ-CD2 3.67Å; Y664-H669 AromaticContact CZ-NE2 3.49Å; Y664-H669 PolarHBondContact O-NE2 2.79Å; V667-H669 PolarHBondContact O-CD2 3.12Å; V667-H669 VanDerWaalsContact O-CD2 3.26Å; V667-H669 PolarHBondContact O-N 3.07Å; H669-T675 WeakPolarHBondContact CA-OG1 3.22Å; H669-T675 PolarHBondContact O-OG1 2.83Å; H669-F678 AromaticContact CE1-CD1 3.82Å; H669-F678 AromaticContact CE1-CE1 3.98Å
670	S	93.3	Very high	94.7	Very high	100 Å²	100	76.9 Å²	76.9	70%	0.699	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-17.1	167.2	77.3	0	0	0	0	112.7	D668 P672	D668-S670 VanDerWaalsContact CG-OG 3.3Å; D668-S670 PolarHBondContact O-N 3.49Å; D668-S670 VanDerWaalsContact O-N 3.11Å; D668-S670 VanDerWaalsContact OD1-CB 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.37Å; D668-S670 PolarHBondContact OD1-N 3.07Å; D668-S670 PolarHBondContact OD1-OG 3.12Å; D668-S670 PolarHBondContact OD2-OG 2.73Å; S670-P672 WeakPolarHBondContact O-CD 3.38Å
671	D	91.8	Very high	94.6	Very high	56 Å²	56	72.3 Å²	72.3	30%	0.299	37%	0.369	S	S	.	.	S	Bend	trans	-89.4	115.6	173.3	-171	-45.6	0	0	0	110.2	D668 E673 E674 T675	D668-D671 HydrophobicContact CB-CB 4.42Å; D668-D671 WeakPolarHBondContact O-CB 3.45Å; D668-D671 PolarHBondContact O-N 3.42Å; D671-E673 VanDerWaalsContact C-N 3.29Å; D671-E673 PolarHBondContact O-N 2.87Å; D671-E673 WeakPolarHBondContact OD1-CA 3.38Å; D671-E673 WeakPolarHBondContact OD1-CB 3.37Å; D671-E673 PolarHBondContact OD1-N 3.49Å; D671-E674 HydrophobicContact CB-CB 4.08Å; D671-E674 HydrophobicContact CB-CG 4.02Å; D671-E674 PolarHBondContact OD1-N 3.1Å; D671-T675 VanDerWaalsContact O-CB 3.31Å; D671-T675 WeakPolarHBondContact O-CB 3.47Å; D671-T675 PolarHBondContact O-N 2.99Å; D671-T675 PolarHBondContact O-OG1 3.29Å
672	P	92.7	Very high	94.4	Very high	106 Å²	106	69.2 Å²	69.2	69%	0.688	36%	0.358	S	S	*	.	H	α-helix	trans	-62.7	-30.2	-179.7	-22.9	34.3	0	0	0	114.5	S670 K676	S670-P672 WeakPolarHBondContact O-CD 3.38Å; P672-K676 VanDerWaalsContact O-CB 3.31Å; P672-K676 WeakPolarHBondContact O-CB 3.31Å; P672-K676 PolarHBondContact O-N 3.33Å; P672-K676 VanDerWaalsContact O-N 3.08Å
673	E	93.4	Very high	94.2	Very high	149 Å²	149	69.1 Å²	69.1	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-73.8	-50.6	180	-63	-173.9	169.1	0	0	110.1	D671 T675 K676 E677	D671-E673 VanDerWaalsContact C-N 3.29Å; D671-E673 PolarHBondContact O-N 2.87Å; D671-E673 WeakPolarHBondContact OD1-CA 3.38Å; D671-E673 WeakPolarHBondContact OD1-CB 3.37Å; D671-E673 PolarHBondContact OD1-N 3.49Å; E673-T675 VanDerWaalsContact C-N 3.28Å; E673-T675 PolarHBondContact O-N 3.49Å; E673-K676 PolarHBondContact O-N 2.79Å; E673-K676 VanDerWaalsContact O-N 3.16Å; E673-E677 WeakPolarHBondContact O-CG 3.32Å; E673-E677 PolarHBondContact O-N 3.03Å
674	E	94.4	Very high	93.8	Very high	31 Å²	31	69.9 Å²	69.9	15%	0.145	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-41.3	176.3	-65.3	-164.8	-167.4	0	0	111.4	R633 V667 D668 D671 K676 E677 F678	R633-E674 IonicContact CZ-OE1 3.33Å; R633-E674 IonicContact CZ-OE2 2.78Å; R633-E674 IonicContact NH1-OE1 3.66Å; R633-E674 PolarHBondContact NH1-OE1 3.37Å; R633-E674 IonicContact NH1-OE2 3.18Å; R633-E674 PolarHBondContact NH1-OE2 3.43Å; R633-E674 IonicContact NH2-OE1 2.81Å; R633-E674 PolarHBondContact NH2-OE1 3.47Å; R633-E674 IonicContact NH2-OE2 3.89Å; R633-E674 PolarHBondContact NH2-OE2 3Å; V667-E674 HydrophobicContact CG1-CB 4.04Å; D668-E674 PolarHBondContact N-OE2 3.45Å; D671-E674 HydrophobicContact CB-CB 4.08Å; D671-E674 HydrophobicContact CB-CG 4.02Å; D671-E674 PolarHBondContact OD1-N 3.1Å; E674-K676 VanDerWaalsContact C-N 3.35Å; E674-K676 PolarHBondContact O-N 2.94Å; E674-E677 PolarHBondContact O-N 3.22Å; E674-F678 WeakPolarHBondContact O-CB 3.39Å; E674-F678 PolarHBondContact O-N 2.73Å
675	T	95.1	Very high	93.5	Very high	25 Å²	25	65.9 Å²	65.9	15%	0.153	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-44.6	176.8	-59.5	0	0	0	0	111.5	H669 D671 E673 F678 Q679	H669-T675 WeakPolarHBondContact CA-OG1 3.22Å; H669-T675 PolarHBondContact O-OG1 2.83Å; D671-T675 VanDerWaalsContact O-CB 3.31Å; D671-T675 WeakPolarHBondContact O-CB 3.47Å; D671-T675 PolarHBondContact O-N 2.99Å; D671-T675 PolarHBondContact O-OG1 3.29Å; E673-T675 VanDerWaalsContact C-N 3.28Å; E673-T675 PolarHBondContact O-N 3.49Å; T675-F678 PolarHBondContact O-N 3.41Å; T675-Q679 VanDerWaalsContact O-CG 3.25Å; T675-Q679 WeakPolarHBondContact O-CG 3.22Å; T675-Q679 PolarHBondContact O-N 2.82Å
676	K	95.1	Very high	93.1	Very high	137 Å²	137	68.7 Å²	68.7	60%	0.596	36%	0.363	S	S	*	.	H	α-helix	trans	-66.3	-44.5	179.2	-177.8	-177.8	177.6	-173.3	0	111.3	P672 E673 E674 F678 Q679 L680	P672-K676 VanDerWaalsContact O-CB 3.31Å; P672-K676 WeakPolarHBondContact O-CB 3.31Å; P672-K676 PolarHBondContact O-N 3.33Å; P672-K676 VanDerWaalsContact O-N 3.08Å; E673-K676 PolarHBondContact O-N 2.79Å; E673-K676 VanDerWaalsContact O-N 3.16Å; E674-K676 VanDerWaalsContact C-N 3.35Å; E674-K676 PolarHBondContact O-N 2.94Å; K676-F678 VanDerWaalsContact C-N 3.33Å; K676-F678 PolarHBondContact O-N 3.49Å; K676-Q679 PolarHBondContact O-N 3.39Å; K676-L680 HydrophobicContact CG-CD1 4.47Å; K676-L680 WeakPolarHBondContact O-CG 3.13Å; K676-L680 PolarHBondContact O-N 2.8Å; K676-L680 VanDerWaalsContact O-N 3.08Å
677	E	94	Very high	92.4	Very high	108 Å²	108	75.5 Å²	75.5	51%	0.505	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-44.6	176.2	-72.7	-169.7	172.8	0	0	111.6	E673 E674 Q679 L680 L681	E673-E677 WeakPolarHBondContact O-CG 3.32Å; E673-E677 PolarHBondContact O-N 3.03Å; E674-E677 PolarHBondContact O-N 3.22Å; E677-Q679 PolarHBondContact O-N 3.4Å; E677-L680 PolarHBondContact O-N 3.42Å; E677-L681 PolarHBondContact O-N 3.39Å
678	F	95.2	Very high	90.8	Very high	25 Å²	25	80.6 Å²	80.6	11%	0.11	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-46.7	174.7	173	-104.3	0	0	0	112.4	L659 L663 Y664 V667 H669 E674 T675 K676 L680 L681	L659-F678 HydrophobicContact CD1-CD2 4.18Å; L659-F678 HydrophobicContact CD1-CE2 3.57Å; L659-F678 HydrophobicContact CD1-CZ 4.16Å; L659-F678 HydrophobicContact CG-CE2 4.13Å; L659-F678 HydrophobicContact CG-CZ 4.24Å; L663-F678 HydrophobicContact CD2-CD2 3.43Å; L663-F678 VanDerWaalsContact CD2-CD2 3.43Å; L663-F678 HydrophobicContact CD2-CE2 3.53Å; Y664-F678 AromaticContact CD2-CE1 3.92Å; Y664-F678 HydrophobicContact CD2-CE1 3.92Å; Y664-F678 AromaticContact CD2-CZ 3.84Å; Y664-F678 HydrophobicContact CD2-CZ 3.84Å; Y664-F678 HydrophobicContact CG-CZ 4.42Å; V667-F678 HydrophobicContact CG1-CB 3.96Å; V667-F678 HydrophobicContact CG1-CG 4.37Å; V667-F678 HydrophobicContact CG2-CB 4Å; V667-F678 HydrophobicContact CG2-CD2 3.71Å; V667-F678 HydrophobicContact CG2-CE2 4.48Å; V667-F678 HydrophobicContact CG2-CG 4.02Å; H669-F678 AromaticContact CE1-CD1 3.82Å; H669-F678 AromaticContact CE1-CE1 3.98Å; E674-F678 WeakPolarHBondContact O-CB 3.39Å; E674-F678 PolarHBondContact O-N 2.73Å; T675-F678 PolarHBondContact O-N 3.41Å; K676-F678 VanDerWaalsContact C-N 3.33Å; K676-F678 PolarHBondContact O-N 3.49Å; F678-L680 VanDerWaalsContact C-N 3.27Å; F678-L680 PolarHBondContact O-N 2.83Å; F678-L681 HydrophobicContact CD2-CD1 4.3Å; F678-L681 VanDerWaalsContact O-CB 3.28Å; F678-L681 WeakPolarHBondContact O-CB 3.43Å; F678-L681 PolarHBondContact O-N 2.98Å; F678-L681 VanDerWaalsContact O-N 3.1Å
679	Q	94	Very high	89.3	Confident	126 Å²	126	80.7 Å²	80.7	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-60.9	-35.7	178.6	-73.8	170.9	2.6	0	0	112.5	T675 K676 E677 L681 A682	T675-Q679 VanDerWaalsContact O-CG 3.25Å; T675-Q679 WeakPolarHBondContact O-CG 3.22Å; T675-Q679 PolarHBondContact O-N 2.82Å; K676-Q679 PolarHBondContact O-N 3.39Å; E677-Q679 PolarHBondContact O-N 3.4Å; Q679-L681 VanDerWaalsContact C-N 3.26Å; Q679-L681 PolarHBondContact O-N 3.5Å; Q679-A682 PolarHBondContact O-N 3.18Å
680	L	94.2	Very high	87.5	Confident	107 Å²	107	82.8 Å²	82.8	56%	0.56	47%	0.466	S	S	*	.	H	α-helix	trans	-68.2	-22.5	177.8	-70.4	171.7	0	0	0	113.1	K676 E677 F678 A682 S683	K676-L680 HydrophobicContact CG-CD1 4.47Å; K676-L680 WeakPolarHBondContact O-CG 3.13Å; K676-L680 PolarHBondContact O-N 2.8Å; K676-L680 VanDerWaalsContact O-N 3.08Å; E677-L680 PolarHBondContact O-N 3.42Å; F678-L680 VanDerWaalsContact C-N 3.27Å; F678-L680 PolarHBondContact O-N 2.83Å; L680-A682 PolarHBondContact O-N 2.97Å; L680-S683 WeakPolarHBondContact O-CB 3.49Å; L680-S683 PolarHBondContact O-N 3.08Å; L680-S683 VanDerWaalsContact O-N 3.1Å; L680-S683 PolarHBondContact O-OG 3.48Å
681	L	93.6	Very high	85.9	Confident	14 Å²	14	86 Å²	86	7%	0.073	48%	0.475	C	S	.	.	H	α-helix	trans	-61.3	-28.7	177.2	-63.7	177.9	0	0	0	112.5	Y637 K641 F644 L659 L663 E677 F678 Q679 S683 A684	Y637-L681 HydrophobicContact CE2-CD1 4.3Å; K641-L681 HydrophobicContact CD-CD2 4.03Å; K641-L681 HydrophobicContact CG-CD1 4.41Å; K641-L681 HydrophobicContact CG-CD2 3.99Å; F644-L681 HydrophobicContact CD1-CB 4.45Å; F644-L681 HydrophobicContact CE1-CB 3.92Å; F644-L681 VanDerWaalsContact CE1-O 3.29Å; F644-L681 WeakPolarHBondContact CE1-O 3.49Å; F644-L681 WeakPolarHBondContact CZ-O 3.28Å; L659-L681 HydrophobicContact CD1-CB 4.02Å; L659-L681 HydrophobicContact CD1-CD1 4.13Å; L663-L681 HydrophobicContact CD1-CD1 3.97Å; L663-L681 HydrophobicContact CD2-CD1 3.71Å; E677-L681 PolarHBondContact O-N 3.39Å; F678-L681 HydrophobicContact CD2-CD1 4.3Å; F678-L681 VanDerWaalsContact O-CB 3.28Å; F678-L681 WeakPolarHBondContact O-CB 3.43Å; F678-L681 PolarHBondContact O-N 2.98Å; F678-L681 VanDerWaalsContact O-N 3.1Å; Q679-L681 VanDerWaalsContact C-N 3.26Å; Q679-L681 PolarHBondContact O-N 3.5Å; L681-S683 PolarHBondContact O-N 3.04Å; L681-S683 VanDerWaalsContact O-N 3.08Å; L681-A684 VanDerWaalsContact O-CB 3.29Å; L681-A684 WeakPolarHBondContact O-CB 3.34Å; L681-A684 PolarHBondContact O-N 3.37Å
682	A	91.7	Very high	84.5	Confident	38 Å²	38	86.1 Å²	86.1	31%	0.314	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-57.9	-26	176.9	0	0	0	0	0	112.7	L659 Q679 L680 A684 L685	L659-A682 HydrophobicContact CD2-CB 4.3Å; Q679-A682 PolarHBondContact O-N 3.18Å; L680-A682 PolarHBondContact O-N 2.97Å; A682-A684 PolarHBondContact O-N 3.2Å; A682-L685 WeakPolarHBondContact O-CB 3.29Å; A682-L685 PolarHBondContact O-N 2.85Å
683	S	91.2	Very high	82.9	Confident	64 Å²	64	86.3 Å²	86.3	45%	0.448	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.5	175.6	69	0	0	0	0	113.4	L680 L681 L685 F686	L680-S683 WeakPolarHBondContact O-CB 3.49Å; L680-S683 PolarHBondContact O-N 3.08Å; L680-S683 VanDerWaalsContact O-N 3.1Å; L680-S683 PolarHBondContact O-OG 3.48Å; L681-S683 PolarHBondContact O-N 3.04Å; L681-S683 VanDerWaalsContact O-N 3.08Å; S683-L685 PolarHBondContact O-N 3.49Å; S683-F686 PolarHBondContact O-N 2.76Å; S683-F686 VanDerWaalsContact O-N 3.13Å
684	A	88.2	Confident	81.2	Confident	17 Å²	17	80.8 Å²	80.8	14%	0.14	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-63.9	-24.7	-180	0	0	0	0	0	112.8	F644 L681 A682 F686 K687	F644-A684 HydrophobicContact CE1-CB 3.9Å; F644-A684 HydrophobicContact CZ-CB 4.38Å; L681-A684 VanDerWaalsContact O-CB 3.29Å; L681-A684 WeakPolarHBondContact O-CB 3.34Å; L681-A684 PolarHBondContact O-N 3.37Å; A682-A684 PolarHBondContact O-N 3.2Å; A684-F686 PolarHBondContact O-N 2.96Å; A684-K687 PolarHBondContact O-N 2.89Å
685	L	89.2	Confident	79.5	Confident	25 Å²	25	86.4 Å²	86.4	13%	0.131	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-64.1	-18.3	176.1	-64.1	171.7	0	0	0	113.5	F644 A648 P652 A655 L656 A682 S683	F644-L685 HydrophobicContact CE2-CD2 3.86Å; F644-L685 HydrophobicContact CE2-CG 4.32Å; F644-L685 HydrophobicContact CZ-CD2 4.02Å; F644-L685 HydrophobicContact CZ-CG 4.04Å; A648-L685 HydrophobicContact CB-CD2 4.09Å; P652-L685 HydrophobicContact CB-CD2 4.38Å; P652-L685 WeakPolarHBondContact O-CD2 3.24Å; A655-L685 HydrophobicContact CB-CD2 3.69Å; L656-L685 HydrophobicContact CB-CD1 4.11Å; L656-L685 HydrophobicContact CD1-CD1 3.8Å; L656-L685 HydrophobicContact CG-CD1 4.47Å; A682-L685 WeakPolarHBondContact O-CB 3.29Å; A682-L685 PolarHBondContact O-N 2.85Å; S683-L685 PolarHBondContact O-N 3.49Å
686	F	88.3	Confident	78	Confident	173 Å²	173	88 Å²	88	76%	0.759	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-115.5	0.4	-174.5	-53.8	-77.1	0	0	0	113.3	S683 A684 S688	S683-F686 PolarHBondContact O-N 2.76Å; S683-F686 VanDerWaalsContact O-N 3.13Å; A684-F686 PolarHBondContact O-N 2.96Å; F686-S688 PolarHBondContact O-N 3.07Å
687	K	80.8	Confident	76.6	Confident	147 Å²	147	83 Å²	83	64%	0.639	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-70.7	121.8	177.2	-70.2	-175.3	179.8	-176.2	0	109.2	A684	A684-K687 PolarHBondContact O-N 2.89Å
688	S	64.3	Low	75.2	Confident	117 Å²	117	82.7 Å²	82.7	82%	0.818	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-76.6	136.6	162.5	47.8	0	0	0	0	107.8	F686	F686-S688 PolarHBondContact O-N 3.07Å
689	G	60.9	Low	74.1	Confident	64 Å²	64	86.7 Å²	86.7	66%	0.66	51%	0.514	S	S	*	.	S	Bend	trans	-53.6	155.8	-161.7	0	0	0	0	0	116.7
690	S	56.4	Low	73.5	Confident	109 Å²	109	81.9 Å²	81.9	76%	0.762	49%	0.494	S	S	*	.			trans	89.6	44.7	161.2	75.4	0	0	0	0	121.4	F692	S690-F692 VanDerWaalsContact C-N 3.31Å
691	D	59.6	Low	73.1	Confident	168 Å²	168	82.1 Å²	82.1	90%	0.898	50%	0.495	S	S	*	.			trans	-90.9	20.3	160	-86.6	-9.9	0	0	0	113.6
692	F	61.8	Low	72.7	Confident	58 Å²	58	84.3 Å²	84.3	25%	0.254	51%	0.505	S	S	.	.			trans	-101.2	115.9	175.4	-174	-106.8	0	0	0	110.3	S690 A694 H702 A705 Q706	S690-F692 VanDerWaalsContact C-N 3.31Å; F692-A694 HydrophobicContact CD1-CB 3.9Å; F692-A694 HydrophobicContact CE1-CB 3.39Å; F692-A694 HydrophobicContact CZ-CB 4.26Å; F692-H702 WeakPolarHBondContact CB-NE2 3.49Å; F692-H702 AromaticContact CD1-CD2 3.5Å; F692-H702 VanDerWaalsContact CD1-CD2 3.5Å; F692-H702 WeakPolarHBondContact CD1-CD2 3.3Å; F692-H702 AromaticContact CD1-CE1 3.8Å; F692-H702 AromaticContact CD1-NE2 3.38Å; F692-H702 WeakPolarHBondContact CD1-NE2 3.25Å; F692-H702 AromaticContact CG-CE1 3.89Å; F692-H702 AromaticContact CG-NE2 3.48Å; F692-H702 WeakPolarHBondContact CG-NE2 3.24Å; F692-A705 HydrophobicContact CE1-CB 4.3Å; F692-Q706 HydrophobicContact CD1-CG 4.27Å; F692-Q706 HydrophobicContact CD2-CG 4.3Å; F692-Q706 HydrophobicContact CE1-CG 3.86Å; F692-Q706 HydrophobicContact CE2-CG 3.92Å; F692-Q706 HydrophobicContact CG-CG 4.47Å; F692-Q706 HydrophobicContact CZ-CG 3.69Å
693	T	59.6	Low	72.6	Confident	111 Å²	111	84.6 Å²	84.6	68%	0.681	50%	0.503	S	S	*	.			trans	-97	105.7	166.7	-50.1	0	0	0	0	107.6	L695	T693-L695 HydrophobicContact CG2-CD2 4.38Å; T693-L695 HydrophobicContact CG2-CG 4.19Å; T693-L695 PolarHBondContact O-N 2.72Å
694	A	57.4	Low	72.6	Confident	32 Å²	32	82.7 Å²	82.7	26%	0.264	49%	0.486	S	S	.	.			trans	-73.5	72.2	177.3	0	0	0	0	0	110.2	F692 G696 F697 A705	F692-A694 HydrophobicContact CD1-CB 3.9Å; F692-A694 HydrophobicContact CE1-CB 3.39Å; F692-A694 HydrophobicContact CZ-CB 4.26Å; A694-G696 PolarHBondContact O-N 3.08Å; A694-G696 VanDerWaalsContact O-N 3.09Å; A694-F697 HydrophobicContact CB-CB 3.96Å; A694-F697 PolarHBondContact O-N 2.94Å; A694-F697 VanDerWaalsContact O-N 3.13Å; A694-A705 HydrophobicContact CB-CB 4.39Å
695	L	59	Low	72.8	Confident	150 Å²	150	81.9 Å²	81.9	79%	0.785	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	116.7	176.9	-75.3	165.7	0	0	0	109	T693	T693-L695 HydrophobicContact CG2-CD2 4.38Å; T693-L695 HydrophobicContact CG2-CG 4.19Å; T693-L695 PolarHBondContact O-N 2.72Å
696	G	63.1	Low	72.9	Confident	57 Å²	57	81.8 Å²	81.8	59%	0.588	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-4	179.2	0	0	0	0	0	116	H187 A694	H187-G696 PolarHBondContact CE1-O 3.44Å; H187-G696 PolarHBondContact NE2-O 2.81Å; A694-G696 PolarHBondContact O-N 3.08Å; A694-G696 VanDerWaalsContact O-N 3.09Å
697	F	66.3	Low	73.2	Confident	32 Å²	32	75.3 Å²	75.3	14%	0.14	45%	0.449	C	S	.	.			trans	-121.5	43	-174.9	-70.5	-79.8	0	0	0	112.1	Q186 A694 D699 V700 A705 T708	Q186-F697 HydrophobicContact CB-CE1 3.74Å; Q186-F697 HydrophobicContact CB-CZ 4.4Å; Q186-F697 HydrophobicContact CG-CE1 4.2Å; Q186-F697 HydrophobicContact CG-CZ 4.43Å; Q186-F697 VanDerWaalsContact O-CD1 3.29Å; Q186-F697 WeakPolarHBondContact O-CD1 3.3Å; Q186-F697 VanDerWaalsContact O-CE1 3.26Å; Q186-F697 WeakPolarHBondContact O-CE1 3.25Å; A694-F697 HydrophobicContact CB-CB 3.96Å; A694-F697 PolarHBondContact O-N 2.94Å; A694-F697 VanDerWaalsContact O-N 3.13Å; F697-D699 PolarHBondContact O-N 3.11Å; F697-V700 HydrophobicContact CB-CG2 3.56Å; F697-V700 HydrophobicContact CD1-CG2 3.81Å; F697-V700 HydrophobicContact CG-CG2 4.12Å; F697-V700 WeakPolarHBondContact O-CG2 3.38Å; F697-V700 PolarHBondContact O-N 3.17Å; F697-A705 HydrophobicContact CB-CB 3.83Å; F697-A705 HydrophobicContact CD1-CB 4.21Å; F697-A705 HydrophobicContact CD2-CB 4.2Å; F697-A705 HydrophobicContact CG-CB 3.85Å; F697-T708 HydrophobicContact CE1-CG2 4Å; F697-T708 HydrophobicContact CZ-CG2 4Å
698	S	64	Low	73.8	Confident	102 Å²	102	68.4 Å²	68.4	71%	0.713	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.2	-169.2	59.6	0	0	0	0	115.3
699	D	72.8	Confident	75.2	Confident	109 Å²	109	67.8 Å²	67.8	58%	0.583	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	3.9	-167.5	-61.1	-3.1	0	0	0	113.5	Y189 F697	Y189-D699 PolarHBondContact OH-OD2 3.05Å; F697-D699 PolarHBondContact O-N 3.11Å
700	V	81.5	Confident	76.9	Confident	26 Å²	26	65.4 Å²	65.4	16%	0.158	38%	0.376	C	S	.	.	S	Bend	trans	-113.1	155.7	-177.9	-66.3	0	0	0	0	112.1	H187 N188 F697 Y704 A705	H187-V700 VanDerWaalsContact O-CG1 3.22Å; H187-V700 WeakPolarHBondContact O-CG1 3.24Å; N188-V700 HydrophobicContact CB-CG1 3.9Å; F697-V700 HydrophobicContact CB-CG2 3.56Å; F697-V700 HydrophobicContact CD1-CG2 3.81Å; F697-V700 HydrophobicContact CG-CG2 4.12Å; F697-V700 WeakPolarHBondContact O-CG2 3.38Å; F697-V700 PolarHBondContact O-N 3.17Å; V700-Y704 HydrophobicContact CB-CD1 4.04Å; V700-Y704 HydrophobicContact CG1-CD1 4.15Å; V700-Y704 HydrophobicContact CG1-CE1 4.47Å; V700-Y704 HydrophobicContact CG2-CD1 4.23Å; V700-A705 HydrophobicContact CG2-CB 4.02Å
701	D	85.1	Confident	78.8	Confident	111 Å²	111	60.2 Å²	60.2	59%	0.594	34%	0.339	S	S	*	.			trans	-55.9	140.2	171	-172.7	-8.4	0	0	0	110.1	T703 Y704 A705	D701-T703 VanDerWaalsContact C-N 3.25Å; D701-T703 PolarHBondContact O-N 3.26Å; D701-T703 PolarHBondContact OD1-N 2.76Å; D701-Y704 WeakPolarHBondContact O-CA 3.37Å; D701-Y704 WeakPolarHBondContact O-CB 3.11Å; D701-Y704 PolarHBondContact O-N 2.92Å; D701-A705 PolarHBondContact O-N 3.41Å
702	H	85.1	Confident	80.4	Confident	60 Å²	60	54.2 Å²	54.2	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-53.6	-42.2	175.9	-175.6	-68	0	0	0	112.1	F692 Y704 A705 Q706	F692-H702 WeakPolarHBondContact CB-NE2 3.49Å; F692-H702 AromaticContact CD1-CD2 3.5Å; F692-H702 VanDerWaalsContact CD1-CD2 3.5Å; F692-H702 WeakPolarHBondContact CD1-CD2 3.3Å; F692-H702 AromaticContact CD1-CE1 3.8Å; F692-H702 AromaticContact CD1-NE2 3.38Å; F692-H702 WeakPolarHBondContact CD1-NE2 3.25Å; F692-H702 AromaticContact CG-CE1 3.89Å; F692-H702 AromaticContact CG-NE2 3.48Å; F692-H702 WeakPolarHBondContact CG-NE2 3.24Å; H702-Y704 VanDerWaalsContact C-N 3.32Å; H702-Y704 PolarHBondContact O-N 3.37Å; H702-A705 PolarHBondContact O-N 2.87Å; H702-Q706 PolarHBondContact CE1-NE2 2.87Å; H702-Q706 PolarHBondContact CE1-OE1 2.93Å; H702-Q706 PolarHBondContact ND1-OE1 2.71Å; H702-Q706 VanDerWaalsContact O-CB 3.29Å; H702-Q706 WeakPolarHBondContact O-CB 3.4Å; H702-Q706 WeakPolarHBondContact O-CG 3.36Å; H702-Q706 PolarHBondContact O-N 2.9Å
703	T	89.5	Confident	82	Confident	45 Å²	45	54.2 Å²	54.2	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-40.7	176.8	-61.4	0	0	0	0	111.5	D701 R707	D701-T703 VanDerWaalsContact C-N 3.25Å; D701-T703 PolarHBondContact O-N 3.26Å; D701-T703 PolarHBondContact OD1-N 2.76Å; T703-R707 WeakPolarHBondContact O-CB 3.45Å; T703-R707 VanDerWaalsContact O-CG 3.29Å; T703-R707 WeakPolarHBondContact O-CG 3.34Å; T703-R707 PolarHBondContact O-N 3.21Å
704	Y	92.1	Very high	83.8	Confident	23 Å²	23	48.9 Å²	48.9	9%	0.09	28%	0.28	C	S	.	.	H	α-helix	trans	-63.4	-47.9	177	-174.2	-83.9	0	0	0	111.6	R185 Q186 N188 V217 L218 V700 D701 H702 Q706 R707 T708	R185-Y704 PolarHBondContact O-OH 2.84Å; Q186-Y704 WeakPolarHBondContact O-CE1 3.49Å; N188-Y704 HydrophobicContact CB-CD1 4.47Å; N188-Y704 HydrophobicContact CB-CE1 3.96Å; N188-Y704 HydrophobicContact CB-CE2 4.01Å; V217-Y704 HydrophobicContact CG1-CD2 3.89Å; V217-Y704 HydrophobicContact CG1-CE1 4.41Å; V217-Y704 HydrophobicContact CG1-CE2 3.7Å; V217-Y704 HydrophobicContact CG1-CG 4.35Å; L218-Y704 HydrophobicContact CD2-CE2 3.81Å; V700-Y704 HydrophobicContact CB-CD1 4.04Å; V700-Y704 HydrophobicContact CG1-CD1 4.15Å; V700-Y704 HydrophobicContact CG1-CE1 4.47Å; V700-Y704 HydrophobicContact CG2-CD1 4.23Å; D701-Y704 WeakPolarHBondContact O-CA 3.37Å; D701-Y704 WeakPolarHBondContact O-CB 3.11Å; D701-Y704 PolarHBondContact O-N 2.92Å; H702-Y704 VanDerWaalsContact C-N 3.32Å; H702-Y704 PolarHBondContact O-N 3.37Å; Y704-Q706 PolarHBondContact O-N 3.4Å; Y704-R707 PolarHBondContact O-N 3Å; Y704-T708 WeakPolarHBondContact CE1-OG1 3.43Å; Y704-T708 WeakPolarHBondContact O-CB 3.5Å; Y704-T708 PolarHBondContact O-N 3.18Å; Y704-T708 PolarHBondContact O-OG1 3.07Å
705	A	91.1	Very high	85.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45.9	179	0	0	0	0	0	111.8	F692 A694 F697 V700 D701 H702 T708 Q709	F692-A705 HydrophobicContact CE1-CB 4.3Å; A694-A705 HydrophobicContact CB-CB 4.39Å; F697-A705 HydrophobicContact CB-CB 3.83Å; F697-A705 HydrophobicContact CD1-CB 4.21Å; F697-A705 HydrophobicContact CD2-CB 4.2Å; F697-A705 HydrophobicContact CG-CB 3.85Å; V700-A705 HydrophobicContact CG2-CB 4.02Å; D701-A705 PolarHBondContact O-N 3.41Å; H702-A705 PolarHBondContact O-N 2.87Å; A705-T708 WeakPolarHBondContact O-CB 3.21Å; A705-T708 PolarHBondContact O-N 2.92Å; A705-Q709 PolarHBondContact O-N 3.12Å
706	Q	91.4	Very high	87.4	Confident	22 Å²	22	45.1 Å²	45.1	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-46.1	179.1	-82.3	-166	-41.4	0	0	112.7	H642 F692 H702 Y704 T708 Q709 L710	H642-Q706 PolarHBondContact CE1-O 3.4Å; H642-Q706 VanDerWaalsContact CE1-O 3.23Å; F692-Q706 HydrophobicContact CD1-CG 4.27Å; F692-Q706 HydrophobicContact CD2-CG 4.3Å; F692-Q706 HydrophobicContact CE1-CG 3.86Å; F692-Q706 HydrophobicContact CE2-CG 3.92Å; F692-Q706 HydrophobicContact CG-CG 4.47Å; F692-Q706 HydrophobicContact CZ-CG 3.69Å; H702-Q706 PolarHBondContact CE1-NE2 2.87Å; H702-Q706 PolarHBondContact CE1-OE1 2.93Å; H702-Q706 PolarHBondContact ND1-OE1 2.71Å; H702-Q706 VanDerWaalsContact O-CB 3.29Å; H702-Q706 WeakPolarHBondContact O-CB 3.4Å; H702-Q706 WeakPolarHBondContact O-CG 3.36Å; H702-Q706 PolarHBondContact O-N 2.9Å; Y704-Q706 PolarHBondContact O-N 3.4Å; Q706-T708 VanDerWaalsContact C-N 3.32Å; Q706-T708 PolarHBondContact O-N 2.94Å; Q706-Q709 WeakPolarHBondContact O-CB 3.48Å; Q706-Q709 PolarHBondContact O-N 3.49Å; Q706-L710 PolarHBondContact O-N 2.61Å; Q706-L710 VanDerWaalsContact O-N 3.09Å
707	R	95.5	Very high	88.9	Confident	37 Å²	37	43 Å²	43	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-66.3	-36	176.1	-69.4	171.8	177.6	-176.1	1.5	112.1	L216 V217 G220 E646 T703 Y704 Q709 L710 F711	L216-R707 WeakPolarHBondContact O-CD 3.3Å; V217-R707 HydrophobicContact CB-CB 4.39Å; V217-R707 HydrophobicContact CG1-CB 4.28Å; V217-R707 HydrophobicContact CG2-CB 4.32Å; G220-R707 VanDerWaalsContact CA-NH1 3.26Å; E646-R707 IonicContact OE1-CZ 3.84Å; E646-R707 IonicContact OE1-NE 3.45Å; E646-R707 PolarHBondContact OE1-NE 2.81Å; E646-R707 IonicContact OE1-NH2 3.07Å; E646-R707 PolarHBondContact OE1-NH2 3.47Å; E646-R707 IonicContact OE2-CZ 2.69Å; E646-R707 IonicContact OE2-NE 2.73Å; E646-R707 IonicContact OE2-NH2 3.39Å; E646-R707 PolarHBondContact OE2-NH2 3.15Å; T703-R707 WeakPolarHBondContact O-CB 3.45Å; T703-R707 VanDerWaalsContact O-CG 3.29Å; T703-R707 WeakPolarHBondContact O-CG 3.34Å; T703-R707 PolarHBondContact O-N 3.21Å; Y704-R707 PolarHBondContact O-N 3Å; R707-Q709 VanDerWaalsContact C-N 3.34Å; R707-L710 PolarHBondContact O-N 2.64Å; R707-F711 WeakPolarHBondContact O-CB 3.43Å; R707-F711 PolarHBondContact O-N 2.7Å
708	T	93.9	Very high	90.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-40.4	174.5	-58.8	0	0	0	0	111.2	Q186 V217 F697 Y704 A705 Q706 L710 F711 D712	Q186-T708 HydrophobicContact CG-CG2 4.01Å; V217-T708 WeakPolarHBondContact CG1-OG1 3.5Å; F697-T708 HydrophobicContact CE1-CG2 4Å; F697-T708 HydrophobicContact CZ-CG2 4Å; Y704-T708 WeakPolarHBondContact CE1-OG1 3.43Å; Y704-T708 WeakPolarHBondContact O-CB 3.5Å; Y704-T708 PolarHBondContact O-N 3.18Å; Y704-T708 PolarHBondContact O-OG1 3.07Å; A705-T708 WeakPolarHBondContact O-CB 3.21Å; A705-T708 PolarHBondContact O-N 2.92Å; Q706-T708 VanDerWaalsContact C-N 3.32Å; Q706-T708 PolarHBondContact O-N 2.94Å; T708-L710 PolarHBondContact O-N 2.83Å; T708-F711 WeakPolarHBondContact O-CB 3.42Å; T708-F711 PolarHBondContact O-N 3.29Å; T708-D712 PolarHBondContact O-N 3.15Å
709	Q	92.9	Very high	91.8	Very high	105 Å²	105	37.7 Å²	37.7	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-40.1	174.9	-173.4	-179.1	6.8	0	0	112.4	A705 Q706 R707 D712 T713	A705-Q709 PolarHBondContact O-N 3.12Å; Q706-Q709 WeakPolarHBondContact O-CB 3.48Å; Q706-Q709 PolarHBondContact O-N 3.49Å; R707-Q709 VanDerWaalsContact C-N 3.34Å; Q709-D712 PolarHBondContact O-N 2.95Å; Q709-T713 PolarHBondContact O-N 3.5Å; Q709-T713 PolarHBondContact O-OG1 3.47Å
710	L	96.1	Very high	92.5	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-44.5	172.9	174.1	62.4	0	0	0	111.1	L216 L638 H642 Q706 R707 T708 D712 T713 L714	L216-L710 HydrophobicContact CD1-CD2 3.91Å; L216-L710 HydrophobicContact CD2-CB 4.48Å; L216-L710 HydrophobicContact CD2-CD2 4Å; L216-L710 HydrophobicContact CD2-CG 3.98Å; L216-L710 HydrophobicContact CG-CD2 4.47Å; L638-L710 HydrophobicContact CB-CD1 3.91Å; H642-L710 HydrophobicContact CB-CD2 3.64Å; Q706-L710 PolarHBondContact O-N 2.61Å; Q706-L710 VanDerWaalsContact O-N 3.09Å; R707-L710 PolarHBondContact O-N 2.64Å; T708-L710 PolarHBondContact O-N 2.83Å; L710-D712 PolarHBondContact O-N 3.31Å; L710-T713 WeakPolarHBondContact O-CB 3.19Å; L710-T713 PolarHBondContact O-N 2.83Å; L710-T713 VanDerWaalsContact O-N 3.17Å; L710-L714 HydrophobicContact CD1-CD1 4.14Å; L710-L714 HydrophobicContact CD1-CG 4.12Å; L710-L714 HydrophobicContact CG-CD1 4.04Å; L710-L714 HydrophobicContact CG-CG 4.43Å; L710-L714 WeakPolarHBondContact O-CG 3.12Å; L710-L714 PolarHBondContact O-N 2.79Å
711	F	96.7	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-51.1	174.8	172.1	-92.5	0	0	0	111.3	R185 L209 M212 H213 L216 V217 R707 T708 T713 L714 V715	R185-F711 VanDerWaalsContact NH2-CE1 3.32Å; L209-F711 HydrophobicContact CB-CZ 4.38Å; L209-F711 WeakPolarHBondContact O-CE2 3.16Å; M212-F711 HydrophobicContact CB-CE2 4.18Å; M212-F711 HydrophobicContact CE-CD2 3.49Å; M212-F711 VanDerWaalsContact CE-CD2 3.49Å; M212-F711 HydrophobicContact CE-CE2 3.37Å; M212-F711 HydrophobicContact CE-CG 4.46Å; M212-F711 HydrophobicContact CE-CZ 4.27Å; M212-F711 HydrophobicContact CG-CD2 4.31Å; M212-F711 HydrophobicContact CG-CE2 4.35Å; H213-F711 HydrophobicContact CB-CD2 3.98Å; H213-F711 HydrophobicContact CB-CE2 3.58Å; H213-F711 HydrophobicContact CB-CZ 3.96Å; L216-F711 HydrophobicContact CD2-CB 4.07Å; V217-F711 HydrophobicContact CG2-CB 3.84Å; V217-F711 HydrophobicContact CG2-CG 4.31Å; R707-F711 WeakPolarHBondContact O-CB 3.43Å; R707-F711 PolarHBondContact O-N 2.7Å; T708-F711 WeakPolarHBondContact O-CB 3.42Å; T708-F711 PolarHBondContact O-N 3.29Å; F711-T713 PolarHBondContact O-N 3.32Å; F711-L714 PolarHBondContact O-N 2.5Å; F711-L714 VanDerWaalsContact O-N 3.07Å; F711-V715 HydrophobicContact CD1-CG2 3.95Å; F711-V715 HydrophobicContact CD2-CG2 4.27Å; F711-V715 HydrophobicContact CE1-CG2 3.48Å; F711-V715 VanDerWaalsContact CE1-CG2 3.48Å; F711-V715 HydrophobicContact CE2-CG2 3.84Å; F711-V715 HydrophobicContact CG-CG2 4.32Å; F711-V715 HydrophobicContact CZ-CG2 3.43Å; F711-V715 VanDerWaalsContact CZ-CG2 3.43Å; F711-V715 WeakPolarHBondContact O-CB 3.13Å; F711-V715 VanDerWaalsContact O-CG2 3.28Å; F711-V715 WeakPolarHBondContact O-CG2 3.15Å; F711-V715 PolarHBondContact O-N 2.89Å
712	D	93.7	Very high	93.4	Very high	42 Å²	42	34.9 Å²	34.9	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-34.2	178.5	-74	-19.6	0	0	0	111.7	Q186 T708 Q709 L710 N716	Q186-D712 PolarHBondContact NE2-OD2 3.3Å; Q186-D712 VanDerWaalsContact NE2-OD2 3.1Å; T708-D712 PolarHBondContact O-N 3.15Å; Q709-D712 PolarHBondContact O-N 2.95Å; L710-D712 PolarHBondContact O-N 3.31Å; D712-N716 PolarHBondContact O-ND2 2.78Å; D712-N716 VanDerWaalsContact O-ND2 3.14Å
713	T	95.5	Very high	93.9	Very high	58 Å²	58	32.4 Å²	32.4	36%	0.356	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-47.1	173.5	-56.1	0	0	0	0	111.6	L638 Q709 L710 F711 N716	L638-T713 HydrophobicContact CD1-CG2 4.11Å; Q709-T713 PolarHBondContact O-N 3.5Å; Q709-T713 PolarHBondContact O-OG1 3.47Å; L710-T713 WeakPolarHBondContact O-CB 3.19Å; L710-T713 PolarHBondContact O-N 2.83Å; L710-T713 VanDerWaalsContact O-N 3.17Å; F711-T713 PolarHBondContact O-N 3.32Å; T713-N716 WeakPolarHBondContact O-CB 3.46Å; T713-N716 PolarHBondContact O-N 3.39Å
714	L	97.4	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-34.9	-179.1	-68.7	171.2	0	0	0	112.6	M212 L216 C635 L638 I639 L710 F711 N716 F717 F718	M212-L714 HydrophobicContact CE-CB 4.09Å; M212-L714 HydrophobicContact SD-CB 4.45Å; L216-L714 HydrophobicContact CD2-CD1 3.86Å; C635-L714 HydrophobicContact CB-CD2 4.01Å; L638-L714 HydrophobicContact CD1-CD2 4.31Å; I639-L714 HydrophobicContact CD1-CD1 4.17Å; I639-L714 HydrophobicContact CG1-CD1 3.89Å; I639-L714 HydrophobicContact CG1-CD2 4.44Å; L710-L714 HydrophobicContact CD1-CD1 4.14Å; L710-L714 HydrophobicContact CD1-CG 4.12Å; L710-L714 HydrophobicContact CG-CD1 4.04Å; L710-L714 HydrophobicContact CG-CG 4.43Å; L710-L714 WeakPolarHBondContact O-CG 3.12Å; L710-L714 PolarHBondContact O-N 2.79Å; F711-L714 PolarHBondContact O-N 2.5Å; F711-L714 VanDerWaalsContact O-N 3.07Å; L714-N716 PolarHBondContact O-N 2.75Å; L714-F717 HydrophobicContact CD2-CE2 4.45Å; L714-F717 VanDerWaalsContact O-CD2 3.3Å; L714-F717 WeakPolarHBondContact O-CD2 3.48Å; L714-F717 PolarHBondContact O-N 2.82Å; L714-F718 WeakPolarHBondContact O-CD2 3.24Å
715	V	96.3	Very high	94	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-30.4	177.2	163.3	0	0	0	0	112.2	L209 M212 F711 F717 F718 T723	L209-V715 HydrophobicContact CD1-CG1 4.33Å; L209-V715 HydrophobicContact CD1-CG2 4.3Å; L209-V715 HydrophobicContact CD2-CG2 4.34Å; M212-V715 HydrophobicContact CE-CG2 3.7Å; F711-V715 HydrophobicContact CD1-CG2 3.95Å; F711-V715 HydrophobicContact CD2-CG2 4.27Å; F711-V715 HydrophobicContact CE1-CG2 3.48Å; F711-V715 VanDerWaalsContact CE1-CG2 3.48Å; F711-V715 HydrophobicContact CE2-CG2 3.84Å; F711-V715 HydrophobicContact CG-CG2 4.32Å; F711-V715 HydrophobicContact CZ-CG2 3.43Å; F711-V715 VanDerWaalsContact CZ-CG2 3.43Å; F711-V715 WeakPolarHBondContact O-CB 3.13Å; F711-V715 VanDerWaalsContact O-CG2 3.28Å; F711-V715 WeakPolarHBondContact O-CG2 3.15Å; F711-V715 PolarHBondContact O-N 2.89Å; V715-F717 PolarHBondContact O-N 3.43Å; V715-F717 VanDerWaalsContact O-N 3.14Å; V715-F718 WeakPolarHBondContact O-CB 3.44Å; V715-F718 PolarHBondContact O-N 3.17Å; V715-T723 HydrophobicContact CG1-CG2 3.44Å; V715-T723 VanDerWaalsContact CG1-CG2 3.44Å; V715-T723 WeakPolarHBondContact O-CG2 3.44Å
716	N	94.6	Very high	93.8	Very high	95 Å²	95	36.9 Å²	36.9	51%	0.508	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.1	179.6	-68.6	-44.8	0	0	0	113.9	Y241 D712 T713 L714 F718	Y241-N716 WeakPolarHBondContact CD2-O 3.2Å; D712-N716 PolarHBondContact O-ND2 2.78Å; D712-N716 VanDerWaalsContact O-ND2 3.14Å; T713-N716 WeakPolarHBondContact O-CB 3.46Å; T713-N716 PolarHBondContact O-N 3.39Å; L714-N716 PolarHBondContact O-N 2.75Å; N716-F718 VanDerWaalsContact C-N 3.27Å
717	F	96	Very high	93.5	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.053	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.3	175.6	-59.7	-73.6	0	0	0	113.4	F238 Y241 L631 H634 L638 L714 V715	F238-F717 HydrophobicContact CD1-CB 3.9Å; F238-F717 HydrophobicContact CD1-CG 4.49Å; F238-F717 HydrophobicContact CD2-CB 4.23Å; F238-F717 HydrophobicContact CE1-CB 3.49Å; F238-F717 VanDerWaalsContact CE1-CB 3.49Å; F238-F717 HydrophobicContact CE1-CD1 4.36Å; F238-F717 AromaticContact CE1-CG 3.91Å; F238-F717 HydrophobicContact CE1-CG 3.91Å; F238-F717 HydrophobicContact CE2-CB 3.85Å; F238-F717 HydrophobicContact CG-CB 4.26Å; F238-F717 HydrophobicContact CZ-CB 3.46Å; F238-F717 VanDerWaalsContact CZ-CB 3.46Å; F238-F717 HydrophobicContact CZ-CG 4.18Å; Y241-F717 WeakPolarHBondContact CB-O 3.47Å; Y241-F717 AromaticContact CD1-CD1 3.8Å; Y241-F717 HydrophobicContact CD1-CD1 3.8Å; Y241-F717 HydrophobicContact CD1-CE1 4.48Å; Y241-F717 HydrophobicContact CD2-CD1 4.26Å; Y241-F717 AromaticContact CE1-CD1 3.53Å; Y241-F717 HydrophobicContact CE1-CD1 3.53Å; Y241-F717 AromaticContact CE1-CE1 3.76Å; Y241-F717 HydrophobicContact CE1-CE1 3.76Å; Y241-F717 AromaticContact CE2-CD1 3.99Å; Y241-F717 HydrophobicContact CE2-CD1 3.99Å; Y241-F717 HydrophobicContact CE2-CE1 4.33Å; Y241-F717 HydrophobicContact CG-CD1 4.15Å; Y241-F717 AromaticContact CZ-CD1 3.62Å; Y241-F717 AromaticContact CZ-CE1 3.66Å; L631-F717 HydrophobicContact CD2-CD1 4.37Å; L631-F717 HydrophobicContact CD2-CE1 4.14Å; H634-F717 AromaticContact CD2-CZ 3.9Å; L638-F717 HydrophobicContact CD1-CE2 4.24Å; L638-F717 HydrophobicContact CD1-CZ 4.49Å; L714-F717 HydrophobicContact CD2-CE2 4.45Å; L714-F717 VanDerWaalsContact O-CD2 3.3Å; L714-F717 WeakPolarHBondContact O-CD2 3.48Å; L714-F717 PolarHBondContact O-N 2.82Å; V715-F717 PolarHBondContact O-N 3.43Å; V715-F717 VanDerWaalsContact O-N 3.14Å
718	F	96.7	Very high	93	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	-94.6	161.6	-178.5	-70.7	-99.3	0	0	0	112.3	M208 L209 M212 I229 A232 L237 F238 L714 V715 N716 M722 T723	M208-F718 HydrophobicContact SD-CE1 4.31Å; L209-F718 HydrophobicContact CD2-CD1 3.89Å; L209-F718 HydrophobicContact CD2-CD2 3.82Å; L209-F718 HydrophobicContact CD2-CE1 3.92Å; L209-F718 HydrophobicContact CD2-CE2 3.86Å; L209-F718 HydrophobicContact CD2-CG 3.83Å; L209-F718 HydrophobicContact CD2-CZ 3.9Å; M212-F718 HydrophobicContact CE-CE2 4.35Å; M212-F718 HydrophobicContact SD-CE2 4.24Å; M212-F718 HydrophobicContact SD-CZ 4.41Å; I229-F718 HydrophobicContact CD1-CE2 3.95Å; I229-F718 HydrophobicContact CD1-CZ 3.98Å; A232-F718 HydrophobicContact CB-CE1 3.55Å; A232-F718 HydrophobicContact CB-CZ 3.7Å; L237-F718 HydrophobicContact CB-CD1 4.13Å; L237-F718 HydrophobicContact CB-CE1 4.39Å; L237-F718 HydrophobicContact CD1-CD1 4.13Å; L237-F718 HydrophobicContact CD1-CE1 3.96Å; F238-F718 HydrophobicContact CE2-CD2 4.14Å; F238-F718 HydrophobicContact CE2-CE1 4.24Å; F238-F718 AromaticContact CE2-CE2 3.82Å; F238-F718 HydrophobicContact CE2-CE2 3.82Å; F238-F718 HydrophobicContact CE2-CG 4.49Å; F238-F718 AromaticContact CE2-CZ 3.89Å; F238-F718 HydrophobicContact CE2-CZ 3.89Å; F238-F718 HydrophobicContact CZ-CE2 4.32Å; L714-F718 WeakPolarHBondContact O-CD2 3.24Å; V715-F718 WeakPolarHBondContact O-CB 3.44Å; V715-F718 PolarHBondContact O-N 3.17Å; N716-F718 VanDerWaalsContact C-N 3.27Å; F718-M722 HydrophobicContact CD1-CE 3.89Å; F718-M722 HydrophobicContact CD1-SD 4.46Å; F718-M722 HydrophobicContact CE1-CE 4.43Å; F718-T723 HydrophobicContact CB-CG2 4.15Å
719	P	93.6	Very high	92.6	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.104	23%	0.227	C	C	.	.			trans	-59.6	139.1	176.2	-24	37.2	0	0	0	112.1	L237 S721 M722 T723	L237-P719 WeakPolarHBondContact O-CD 3.44Å; L237-P719 WeakPolarHBondContact O-CG 3.39Å; P719-S721 PolarHBondContact O-N 3.5Å; P719-M722 HydrophobicContact CB-CG 4.36Å; P719-M722 HydrophobicContact CB-SD 4.48Å; P719-M722 HydrophobicContact CG-CG 4.48Å; P719-M722 HydrophobicContact CG-SD 3.97Å; P719-M722 WeakPolarHBondContact O-CB 3.38Å; P719-M722 PolarHBondContact O-N 3.41Å; P719-T723 WeakPolarHBondContact O-CG2 3.28Å; P719-T723 PolarHBondContact O-N 3.24Å
720	D	88.9	Confident	92.2	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.6	-180	-72.7	-35.8	0	0	0	113.6	Q240 M722 T723 K726	Q240-D720 PolarHBondContact NE2-OD2 2.91Å; D720-M722 PolarHBondContact O-N 3.44Å; D720-T723 PolarHBondContact O-OG1 2.78Å; D720-K726 WeakPolarHBondContact OD1-CE 3.37Å; D720-K726 IonicContact OD1-NZ 3.36Å; D720-K726 PolarHBondContact OD1-NZ 3.27Å; D720-K726 IonicContact OD2-NZ 3.22Å
721	S	90.5	Very high	91.5	Very high	105 Å²	105	44 Å²	44	73%	0.734	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.2	175.8	58.5	0	0	0	0	113.8	P719	P719-S721 PolarHBondContact O-N 3.5Å
722	M	94.7	Very high	90.7	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.069	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-28.7	179.1	-67.1	-177.9	54.7	0	0	112.6	E205 H206 M208 L209 L237 F718 P719 D720	E205-M722 CarbonylContact C-O 3.58Å; E205-M722 WeakPolarHBondContact CA-O 3.28Å; E205-M722 VanDerWaalsContact CB-O 3.28Å; E205-M722 WeakPolarHBondContact CB-O 3.43Å; H206-M722 HydrophobicContact CB-CB 3.74Å; H206-M722 HydrophobicContact CB-CE 3.78Å; H206-M722 HydrophobicContact CB-CG 3.89Å; H206-M722 PolarHBondContact N-O 2.84Å; H206-M722 WeakPolarHBondContact ND1-CE 3.42Å; M208-M722 HydrophobicContact CB-CE 4.48Å; L209-M722 HydrophobicContact CD1-CB 4.19Å; L209-M722 WeakPolarHBondContact CD1-O 3.49Å; L237-M722 HydrophobicContact CD1-CE 3.88Å; L237-M722 HydrophobicContact CD1-SD 4.18Å; L237-M722 HydrophobicContact CD2-SD 3.93Å; F718-M722 HydrophobicContact CD1-CE 3.89Å; F718-M722 HydrophobicContact CD1-SD 4.46Å; F718-M722 HydrophobicContact CE1-CE 4.43Å; P719-M722 HydrophobicContact CB-CG 4.36Å; P719-M722 HydrophobicContact CB-SD 4.48Å; P719-M722 HydrophobicContact CG-CG 4.48Å; P719-M722 HydrophobicContact CG-SD 3.97Å; P719-M722 WeakPolarHBondContact O-CB 3.38Å; P719-M722 PolarHBondContact O-N 3.41Å; D720-M722 PolarHBondContact O-N 3.44Å
723	T	94.9	Very high	89.9	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.055	30%	0.3	C	S	.	.	S	Bend	trans	-80.9	158.2	-166.6	62	0	0	0	0	112.9	R178 L209 V715 F718 P719 D720	R178-T723 PolarHBondContact NH2-O 2.94Å; L209-T723 HydrophobicContact CD1-CG2 4.31Å; V715-T723 HydrophobicContact CG1-CG2 3.44Å; V715-T723 VanDerWaalsContact CG1-CG2 3.44Å; V715-T723 WeakPolarHBondContact O-CG2 3.44Å; F718-T723 HydrophobicContact CB-CG2 4.15Å; P719-T723 WeakPolarHBondContact O-CG2 3.28Å; P719-T723 PolarHBondContact O-N 3.24Å; D720-T723 PolarHBondContact O-OG1 2.78Å
724	P	93.3	Very high	88.9	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.058	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-54.9	161	160.8	-26.2	36.7	0	0	0	112.5	K182 L204 E205 K726	K182-P724 HydrophobicContact CD-CB 4.23Å; K182-P724 HydrophobicContact CG-CB 4.46Å; L204-P724 HydrophobicContact CD1-CB 4.03Å; L204-P724 HydrophobicContact CD1-CG 4.49Å; L204-P724 HydrophobicContact CG-CB 4.43Å; L204-P724 HydrophobicContact CG-CG 4.38Å; E205-P724 HydrophobicContact CB-CG 4.1Å; E205-P724 VanDerWaalsContact OE2-CD 3.24Å; E205-P724 WeakPolarHBondContact OE2-CD 3.38Å; E205-P724 WeakPolarHBondContact OE2-CG 3.17Å; P724-K726 PolarHBondContact O-N 3.15Å
725	P	90.9	Very high	87.3	Confident	14 Å²	14	68.4 Å²	68.4	9%	0.091	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-53.1	135.4	170	-24.7	34	0	0	0	112	R178 L179 K182	R178-P725 HydrophobicContact CB-CG 3.5Å; L179-P725 HydrophobicContact CD2-CB 3.66Å; L179-P725 HydrophobicContact CD2-CG 4.34Å; L179-P725 HydrophobicContact CG-CB 4.03Å; L179-P725 HydrophobicContact CG-CG 4.29Å; K182-P725 WeakPolarHBondContact CD-O 3.24Å; K182-P725 PolarHBondContact NZ-O 3.2Å
726	K	86.9	Confident	86.8	Confident	139 Å²	139	71.5 Å²	71.5	60%	0.604	40%	0.399	S	S	*	.	S	Bend	trans	-66.5	-38	-179.3	-68.3	-173.9	178.4	173.5	0	112.8	K182 D720 P724	K182-K726 PolarHBondContact NZ-O 3.28Å; D720-K726 WeakPolarHBondContact OD1-CE 3.37Å; D720-K726 IonicContact OD1-NZ 3.36Å; D720-K726 PolarHBondContact OD1-NZ 3.27Å; D720-K726 IonicContact OD2-NZ 3.22Å; P724-K726 PolarHBondContact O-N 3.15Å
727	G	84.3	Confident	86.4	Confident	35 Å²	35	70.2 Å²	70.2	36%	0.361	39%	0.393	S	S	.	.	S	Bend	trans	-69	165.8	177.4	0	0	0	0	0	113.3	L179 K182	L179-G727 VanDerWaalsContact CD2-O 3.26Å; L179-G727 WeakPolarHBondContact CD2-O 3.47Å; K182-G727 PolarHBondContact NZ-O 3.01Å
728	N	85	Confident	85.9	Confident	54 Å²	54	73.4 Å²	73.4	29%	0.289	41%	0.412	S	S	.	.			trans	-113	149.5	171.6	-55.6	-61.7	0	0	0	110.5	K182 V730 D731	K182-N728 WeakPolarHBondContact CE-OD1 3.4Å; K182-N728 PolarHBondContact NZ-OD1 3.34Å; N728-V730 HydrophobicContact CB-CG2 3.85Å; N728-V730 PolarHBondContact O-N 3.14Å; N728-D731 WeakPolarHBondContact CB-OD2 3.16Å; N728-D731 PolarHBondContact N-OD2 3.35Å; N728-D731 PolarHBondContact ND2-OD2 3.21Å; N728-D731 WeakPolarHBondContact O-CB 3.32Å; N728-D731 PolarHBondContact O-N 3.42Å
729	L	85.8	Confident	85.2	Confident	51 Å²	51	77.4 Å²	77.4	27%	0.267	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.5	179.5	-175	63.8	0	0	0	112	H183 D731 L732	H183-L729 HydrophobicContact CB-CB 3.99Å; H183-L729 HydrophobicContact CB-CD2 3.97Å; L729-D731 VanDerWaalsContact C-N 3.27Å; L729-D731 PolarHBondContact O-N 3.33Å; L729-L732 HydrophobicContact CD1-CD1 4.13Å; L729-L732 WeakPolarHBondContact O-CB 3.45Å; L729-L732 PolarHBondContact O-N 2.53Å
730	V	84	Confident	84.7	Confident	85 Å²	85	81.2 Å²	81.2	52%	0.515	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27.1	177.8	-63.6	0	0	0	0	113.3	N728 L732 I733	N728-V730 HydrophobicContact CB-CG2 3.85Å; N728-V730 PolarHBondContact O-N 3.14Å; V730-L732 PolarHBondContact O-N 2.64Å; V730-I733 PolarHBondContact O-N 2.71Å; V730-I733 VanDerWaalsContact O-N 3.13Å
731	D	81.3	Confident	84.4	Confident	105 Å²	105	82.1 Å²	82.1	56%	0.561	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-70	-13.1	179.9	-55.5	-31.3	0	0	0	112.1	N728 L729 I733	N728-D731 WeakPolarHBondContact CB-OD2 3.16Å; N728-D731 PolarHBondContact N-OD2 3.35Å; N728-D731 PolarHBondContact ND2-OD2 3.21Å; N728-D731 WeakPolarHBondContact O-CB 3.32Å; N728-D731 PolarHBondContact O-N 3.42Å; L729-D731 VanDerWaalsContact C-N 3.27Å; L729-D731 PolarHBondContact O-N 3.33Å; D731-I733 VanDerWaalsContact C-N 3.32Å
732	L	79.6	Confident	84	Confident	117 Å²	117	80.4 Å²	80.4	61%	0.613	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-81.4	-12	175.7	-60	-179.5	0	0	0	113	L179 L729 V730 T734	L179-L732 HydrophobicContact CD1-CD1 4.44Å; L729-L732 HydrophobicContact CD1-CD1 4.13Å; L729-L732 WeakPolarHBondContact O-CB 3.45Å; L729-L732 PolarHBondContact O-N 2.53Å; V730-L732 PolarHBondContact O-N 2.64Å; L732-T734 PolarHBondContact O-N 2.9Å
733	I	78.5	Confident	83.2	Confident	123 Å²	123	85.5 Å²	85.5	63%	0.631	47%	0.47	S	S	*	.			trans	-82.1	107.6	175.2	-52.5	-56.9	0	0	0	108.2	V730 D731	V730-I733 PolarHBondContact O-N 2.71Å; V730-I733 VanDerWaalsContact O-N 3.13Å; D731-I733 VanDerWaalsContact C-N 3.32Å
734	T	72.7	Confident	82.2	Confident	135 Å²	135	91.9 Å²	91.9	83%	0.828	51%	0.505	S	S	*	.			trans	-79.2	123	169.3	49.7	0	0	0	0	108.6	L732	L732-T734 PolarHBondContact O-N 2.9Å
735	L	63.8	Low	81.2	Confident	236 Å²	236	99.5 Å²	99.5	100%	1.236	55%	0.545	S	S	*	.			trans	-87.3	0	173.5	-74	172.2	0	0	0	111.3

Retrieved 735 of 735 residues in 1516.6 ms (Link to these results)

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