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Phosphoethanolamine N-methyltransferase 2

Catalyzes N-methylation of phosphomonomethylethanolamine and phosphodimethylethanolamine, the two methylation steps required to convert phosphomonoethanolamine to phosphocholine¹. Unlike NMT1, NMT2 cannot utilize phosphoethanolamine as substrate in vitro². In association with NMT1, involved in the production of phosphatidylcholine in roots, essential for root development³. In association with NMT1 produce phosphocholine mainly for leaf growth maintenance⁴. Catalyzes the N-methylation of phosphoethanolamine to phosphomonomethylethanolamine in vitro.

AlphaFold DB , UniProt , Accession Q944H0, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene NMT2, Length 491 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	74	Confident	243 Å²	243	101.1 Å²	101.1	100%	1.197	53%	0.528	S	S	*	.				0	108.7	0	-71.8	-176.7	-101.4	0	0	106.7
2	A	41.6	Very low	76	Confident	81 Å²	81	92.7 Å²	92.7	67%	0.669	48%	0.484	S	S	*	.			trans	-65.7	132.4	170.6	0	0	0	0	0	107.5
3	T	49.5	Very low	77.5	Confident	92 Å²	92	93 Å²	93	56%	0.564	48%	0.479	S	S	*	.			trans	-59.5	136.9	173.9	38.4	0	0	0	0	109	Y5 K6	T3-Y5 PolarHBondContact O-N 3.23Å; T3-K6 PolarHBondContact O-N 3.15Å
4	P	61	Low	78.7	Confident	104 Å²	104	91.1 Å²	91.1	68%	0.675	48%	0.478	S	S	*	.	H	α-helix	trans	-48	-34.8	-176.1	-28.7	33.1	0	0	0	114.2	K6 E7 E8	P4-K6 VanDerWaalsContact C-N 3.29Å; P4-K6 PolarHBondContact O-N 2.91Å; P4-E7 PolarHBondContact O-N 3.14Å; P4-E8 PolarHBondContact O-N 3.45Å
5	Y	70.5	Confident	79.9	Confident	114 Å²	114	85.1 Å²	85.1	45%	0.447	45%	0.447	S	S	.	.	H	α-helix	trans	-59.3	-32.3	176.7	-59	-74.3	0	0	0	114.5	T3 R9 K135 E136	T3-Y5 PolarHBondContact O-N 3.23Å; Y5-R9 VanDerWaalsContact O-CG 3.27Å; Y5-R9 WeakPolarHBondContact O-CG 3.41Å; Y5-R9 PolarHBondContact O-N 2.88Å; Y5-K135 HydrophobicContact CE1-CB 4.27Å; Y5-K135 HydrophobicContact CE1-CG 4.09Å; Y5-K135 WeakPolarHBondContact OH-CG 3.16Å; Y5-E136 HydrophobicContact CD1-CG 4.42Å
6	K	82.2	Confident	80.9	Confident	122 Å²	122	81.9 Å²	81.9	53%	0.53	43%	0.427	S	S	.	.	H	α-helix	trans	-70.3	-38.6	-178.2	-170.5	178	178.5	-176.9	0	111.4	T3 P4 R9 D10	T3-K6 PolarHBondContact O-N 3.15Å; P4-K6 VanDerWaalsContact C-N 3.29Å; P4-K6 PolarHBondContact O-N 2.91Å; K6-R9 PolarHBondContact O-N 3.23Å; K6-D10 WeakPolarHBondContact O-CB 3.14Å; K6-D10 PolarHBondContact O-N 3.26Å
7	E	92.1	Very high	81.7	Confident	136 Å²	136	82.9 Å²	82.9	64%	0.636	43%	0.431	S	S	*	.	H	α-helix	trans	-65.8	-45.6	179.2	-173.4	171	-172.7	0	0	111.1	P4 R9 D10 I11	P4-E7 PolarHBondContact O-N 3.14Å; E7-R9 PolarHBondContact O-N 2.66Å; E7-D10 PolarHBondContact O-N 3.27Å; E7-I11 WeakPolarHBondContact O-CG1 3.29Å; E7-I11 WeakPolarHBondContact O-CG2 3.29Å; E7-I11 PolarHBondContact O-N 2.91Å
8	E	95.1	Very high	82.3	Confident	26 Å²	26	82.6 Å²	82.6	12%	0.121	43%	0.427	C	S	.	.	H	α-helix	trans	-56.1	-48.8	175.1	-176.6	67.2	-158.4	0	0	111.8	P4 D10 I11 Q12 E136 H175	P4-E8 PolarHBondContact O-N 3.45Å; E8-D10 PolarHBondContact O-N 3.44Å; E8-I11 WeakPolarHBondContact O-CG1 3.14Å; E8-I11 PolarHBondContact O-N 3.03Å; E8-Q12 HydrophobicContact CG-CG 4.4Å; E8-Q12 WeakPolarHBondContact O-CB 3.25Å; E8-Q12 WeakPolarHBondContact O-CG 3.46Å; E8-Q12 PolarHBondContact O-N 2.98Å; E8-Q12 WeakPolarHBondContact OE1-CG 3.33Å; E8-Q12 PolarHBondContact OE1-NE2 2.87Å; E8-E136 WeakPolarHBondContact CG-OE2 3.44Å; E8-H175 IonicContact OE1-CD2 3.73Å; E8-H175 IonicContact OE1-CE1 3.99Å; E8-H175 IonicContact OE1-NE2 2.97Å; E8-H175 PolarHBondContact OE1-NE2 3.11Å; E8-H175 IonicContact OE2-NE2 2.77Å
9	R	94.7	Very high	82.9	Confident	34 Å²	34	79.4 Å²	79.4	13%	0.128	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-42.6	178.7	-66.3	-62.4	95	-152.8	-5.3	112.4	Y5 K6 E7 K13 D107 T109 Y131 E136	Y5-R9 VanDerWaalsContact O-CG 3.27Å; Y5-R9 WeakPolarHBondContact O-CG 3.41Å; Y5-R9 PolarHBondContact O-N 2.88Å; K6-R9 PolarHBondContact O-N 3.23Å; E7-R9 PolarHBondContact O-N 2.66Å; R9-K13 WeakPolarHBondContact O-CB 3.47Å; R9-K13 PolarHBondContact O-N 2.9Å; R9-D107 WeakPolarHBondContact CD-OD2 3.45Å; R9-D107 IonicContact NH1-OD1 3.7Å; R9-D107 PolarHBondContact NH1-OD1 2.94Å; R9-D107 IonicContact NH1-OD2 3.26Å; R9-D107 PolarHBondContact NH1-OD2 2.9Å; R9-T109 VanDerWaalsContact CD-OG1 3.24Å; R9-T109 WeakPolarHBondContact CD-OG1 3.38Å; R9-Y131 PolarHBondContact NH2-O 2.99Å; R9-E136 IonicContact CZ-OE1 2.69Å; R9-E136 IonicContact CZ-OE2 2.71Å; R9-E136 IonicContact NE-OE1 2.78Å; R9-E136 PolarHBondContact NE-OE1 2.98Å; R9-E136 IonicContact NE-OE2 3.17Å; R9-E136 IonicContact NH2-OE1 2.92Å; R9-E136 PolarHBondContact NH2-OE1 3.13Å; R9-E136 IonicContact NH2-OE2 3.7Å; R9-E136 PolarHBondContact NH2-OE2 3.3Å
10	D	95	Very high	83.3	Confident	87 Å²	87	75.8 Å²	75.8	47%	0.465	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-46.5	-179.8	-72.5	-19.2	0	0	0	110.8	K6 E7 E8 S14	K6-D10 WeakPolarHBondContact O-CB 3.14Å; K6-D10 PolarHBondContact O-N 3.26Å; E7-D10 PolarHBondContact O-N 3.27Å; E8-D10 PolarHBondContact O-N 3.44Å; D10-S14 WeakPolarHBondContact O-CB 3.19Å; D10-S14 PolarHBondContact O-N 3.05Å; D10-S14 PolarHBondContact O-OG 3.28Å
11	I	96.3	Very high	83.6	Confident	73 Å²	73	76 Å²	76	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-42	-179.5	65.4	179.7	0	0	0	112.7	E7 E8 S14 Y15 P173	E7-I11 WeakPolarHBondContact O-CG1 3.29Å; E7-I11 WeakPolarHBondContact O-CG2 3.29Å; E7-I11 PolarHBondContact O-N 2.91Å; E8-I11 WeakPolarHBondContact O-CG1 3.14Å; E8-I11 PolarHBondContact O-N 3.03Å; I11-S14 PolarHBondContact O-N 3.49Å; I11-Y15 WeakPolarHBondContact O-CB 3.38Å; I11-Y15 PolarHBondContact O-N 2.96Å; I11-P173 HydrophobicContact CB-CB 4.35Å; I11-P173 HydrophobicContact CD1-CB 3.88Å; I11-P173 HydrophobicContact CG1-CB 4Å
12	Q	97.1	Very high	86.2	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-40.7	-179.5	-64	-70	6.1	0	0	110.9	E8 Y15 W16 Y131 P173	E8-Q12 HydrophobicContact CG-CG 4.4Å; E8-Q12 WeakPolarHBondContact O-CB 3.25Å; E8-Q12 WeakPolarHBondContact O-CG 3.46Å; E8-Q12 PolarHBondContact O-N 2.98Å; E8-Q12 WeakPolarHBondContact OE1-CG 3.33Å; E8-Q12 PolarHBondContact OE1-NE2 2.87Å; Q12-Y15 PolarHBondContact O-N 3.48Å; Q12-W16 PolarHBondContact O-N 3.45Å; Q12-W16 VanDerWaalsContact O-N 3.15Å; Q12-Y131 VanDerWaalsContact CG-O 3.28Å; Q12-Y131 WeakPolarHBondContact CG-O 3.28Å; Q12-P173 PolarHBondContact NE2-O 3.21Å
13	K	95.4	Very high	88.6	Confident	97 Å²	97	68.5 Å²	68.5	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-42.8	175.5	-170.9	172.7	-175.2	172.6	0	111.7	R9 Y15 W16 M17 F83 I84	R9-K13 WeakPolarHBondContact O-CB 3.47Å; R9-K13 PolarHBondContact O-N 2.9Å; K13-Y15 VanDerWaalsContact C-N 3.33Å; K13-Y15 PolarHBondContact O-N 3.1Å; K13-W16 PolarHBondContact O-N 3.27Å; K13-M17 HydrophobicContact CG-CE 4.35Å; K13-M17 HydrophobicContact CG-CG 4.46Å; K13-M17 WeakPolarHBondContact O-CB 3.39Å; K13-M17 VanDerWaalsContact O-CG 3.32Å; K13-M17 WeakPolarHBondContact O-CG 3.13Å; K13-M17 PolarHBondContact O-N 3.32Å; K13-F83 HydrophobicContact CB-CE2 3.9Å; K13-F83 HydrophobicContact CG-CD2 4.47Å; K13-F83 HydrophobicContact CG-CE2 4.18Å; K13-I84 HydrophobicContact CG-CD1 4.45Å
14	S	95.5	Very high	90.7	Very high	67 Å²	67	66.5 Å²	66.5	47%	0.469	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-43.2	174.9	-78.3	0	0	0	0	112.7	D10 I11 M17 E18	D10-S14 WeakPolarHBondContact O-CB 3.19Å; D10-S14 PolarHBondContact O-N 3.05Å; D10-S14 PolarHBondContact O-OG 3.28Å; I11-S14 PolarHBondContact O-N 3.49Å; S14-M17 PolarHBondContact O-N 2.59Å; S14-E18 PolarHBondContact O-N 2.85Å; S14-E18 VanDerWaalsContact O-N 3.13Å
15	Y	96.3	Very high	92	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-47.9	176.2	-178.9	-105.3	0	0	0	112.2	I11 Q12 K13 E18 H19 L30 Y131 R169 S171 P173	I11-Y15 WeakPolarHBondContact O-CB 3.38Å; I11-Y15 PolarHBondContact O-N 2.96Å; Q12-Y15 PolarHBondContact O-N 3.48Å; K13-Y15 VanDerWaalsContact C-N 3.33Å; K13-Y15 PolarHBondContact O-N 3.1Å; Y15-E18 PolarHBondContact O-N 2.98Å; Y15-H19 AromaticContact CD2-CD2 3.57Å; Y15-H19 AromaticContact CD2-NE2 3.72Å; Y15-H19 AromaticContact CE1-CD2 3.74Å; Y15-H19 AromaticContact CE2-CD2 3.22Å; Y15-H19 WeakPolarHBondContact CE2-CD2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.12Å; Y15-H19 WeakPolarHBondContact CE2-NE2 3.38Å; Y15-H19 AromaticContact CG-CD2 3.96Å; Y15-H19 AromaticContact CZ-CD2 3.3Å; Y15-H19 AromaticContact CZ-NE2 3.52Å; Y15-H19 PolarHBondContact O-CD2 2.88Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 2.61Å; Y15-L30 HydrophobicContact CE1-CD1 4.35Å; Y15-L30 WeakPolarHBondContact OH-CD1 3.37Å; Y15-Y131 HydrophobicContact CD1-CE1 4.29Å; Y15-Y131 AromaticContact CE1-CE1 3.94Å; Y15-Y131 HydrophobicContact CE1-CE1 3.94Å; Y15-R169 PolarHBondContact OH-NH1 3.21Å; Y15-R169 VanDerWaalsContact OH-NH1 3.08Å; Y15-S171 WeakPolarHBondContact CE2-O 3.22Å; Y15-P173 HydrophobicContact CD1-CG 4.48Å; Y15-P173 VanDerWaalsContact CD2-CD 3.42Å; Y15-P173 HydrophobicContact CD2-CG 4.21Å; Y15-P173 HydrophobicContact CG-CG 3.89Å
16	W	96	Very high	92.9	Very high	34 Å²	34	62.1 Å²	62.1	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-74.7	-27	-179.5	-82.7	110.3	0	0	0	114.1	Q12 K13 H19 S20 F83 I84 Y131	Q12-W16 PolarHBondContact O-N 3.45Å; Q12-W16 VanDerWaalsContact O-N 3.15Å; K13-W16 PolarHBondContact O-N 3.27Å; W16-H19 HydrophobicContact CE3-CB 4.47Å; W16-H19 PolarHBondContact O-N 3.43Å; W16-S20 WeakPolarHBondContact O-CB 3.11Å; W16-S20 PolarHBondContact O-N 3.28Å; W16-S20 PolarHBondContact O-OG 3.08Å; W16-F83 HydrophobicContact CB-CE1 3.6Å; W16-F83 HydrophobicContact CB-CZ 3.59Å; W16-F83 AromaticContact CD1-CE1 3.83Å; W16-F83 AromaticContact CD1-CZ 3.52Å; W16-F83 AromaticContact CG-CE1 3.74Å; W16-F83 HydrophobicContact CG-CE1 3.74Å; W16-F83 AromaticContact CG-CZ 3.75Å; W16-F83 HydrophobicContact CG-CZ 3.75Å; W16-I84 HydrophobicContact CB-CD1 3.88Å; W16-I84 HydrophobicContact CB-CG1 3.97Å; W16-Y131 AromaticContact CE2-CE1 3.95Å; W16-Y131 AromaticContact CE2-CE2 3.83Å; W16-Y131 AromaticContact CE2-CZ 3.75Å; W16-Y131 HydrophobicContact CH2-CE2 4.48Å; W16-Y131 AromaticContact CZ2-CD2 3.98Å; W16-Y131 HydrophobicContact CZ2-CD2 3.98Å; W16-Y131 AromaticContact CZ2-CE1 3.95Å; W16-Y131 HydrophobicContact CZ2-CE1 3.95Å; W16-Y131 AromaticContact CZ2-CE2 3.33Å; W16-Y131 HydrophobicContact CZ2-CE2 3.33Å; W16-Y131 AromaticContact CZ2-CZ 3.28Å; W16-Y131 WeakPolarHBondContact CZ2-OH 3.21Å; W16-Y131 AromaticContact NE1-CD1 3.35Å; W16-Y131 VanDerWaalsContact NE1-CD1 3.35Å; W16-Y131 AromaticContact NE1-CD2 3.51Å; W16-Y131 AromaticContact NE1-CE1 3.55Å; W16-Y131 AromaticContact NE1-CE2 3.72Å; W16-Y131 AromaticContact NE1-CG 3.32Å; W16-Y131 VanDerWaalsContact NE1-CG 3.32Å; W16-Y131 AromaticContact NE1-CZ 3.72Å
17	M	93.9	Very high	93.2	Very high	99 Å²	99	57.2 Å²	57.2	49%	0.488	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-40.2	168.5	-75.2	-172.1	-60.9	0	0	111.9	K13 S14 I84	K13-M17 HydrophobicContact CG-CE 4.35Å; K13-M17 HydrophobicContact CG-CG 4.46Å; K13-M17 WeakPolarHBondContact O-CB 3.39Å; K13-M17 VanDerWaalsContact O-CG 3.32Å; K13-M17 WeakPolarHBondContact O-CG 3.13Å; K13-M17 PolarHBondContact O-N 3.32Å; S14-M17 PolarHBondContact O-N 2.59Å; M17-I84 HydrophobicContact CG-CD1 4Å
18	E	93.6	Very high	93.1	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-48.1	174.1	178.3	175.6	178.1	0	0	111	S14 Y15 S20 S21	S14-E18 PolarHBondContact O-N 2.85Å; S14-E18 VanDerWaalsContact O-N 3.13Å; Y15-E18 PolarHBondContact O-N 2.98Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 2.87Å; E18-S21 PolarHBondContact O-OG 3.33Å
19	H	92.6	Very high	92.9	Very high	21 Å²	21	51.3 Å²	51.3	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-84.9	-1	-173.1	-68.9	-53.6	0	0	0	115.3	Y15 W16 A27 L30	Y15-H19 AromaticContact CD2-CD2 3.57Å; Y15-H19 AromaticContact CD2-NE2 3.72Å; Y15-H19 AromaticContact CE1-CD2 3.74Å; Y15-H19 AromaticContact CE2-CD2 3.22Å; Y15-H19 WeakPolarHBondContact CE2-CD2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.12Å; Y15-H19 WeakPolarHBondContact CE2-NE2 3.38Å; Y15-H19 AromaticContact CG-CD2 3.96Å; Y15-H19 AromaticContact CZ-CD2 3.3Å; Y15-H19 AromaticContact CZ-NE2 3.52Å; Y15-H19 PolarHBondContact O-CD2 2.88Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 2.61Å; W16-H19 HydrophobicContact CE3-CB 4.47Å; W16-H19 PolarHBondContact O-N 3.43Å; H19-A27 CarbonylContact O-C 3.31Å; H19-A27 WeakPolarHBondContact O-CB 3.39Å; H19-L30 HydrophobicContact CB-CD2 3.95Å; H19-L30 VanDerWaalsContact ND1-CD2 3.29Å; H19-L30 WeakPolarHBondContact ND1-CD2 3.46Å
20	S	90.5	Very high	92.8	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.049	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.6	173.9	-56.5	0	0	0	0	113	W16 E18 D22 L23	W16-S20 WeakPolarHBondContact O-CB 3.11Å; W16-S20 PolarHBondContact O-N 3.28Å; W16-S20 PolarHBondContact O-OG 3.08Å; E18-S20 VanDerWaalsContact C-N 3.32Å; E18-S20 PolarHBondContact O-N 2.87Å; S20-D22 VanDerWaalsContact C-N 3.32Å; S20-D22 PolarHBondContact O-N 3.29Å; S20-L23 WeakPolarHBondContact O-CD2 3.44Å; S20-L23 WeakPolarHBondContact O-CG 3.4Å; S20-L23 PolarHBondContact O-N 2.86Å
21	S	89.5	Confident	92.8	Very high	81 Å²	81	46.3 Å²	46.3	57%	0.566	25%	0.248	S	C	*	.	S	Bend	trans	-61.6	-39.1	-179	64.1	0	0	0	0	113.2	E18	E18-S21 PolarHBondContact O-OG 3.33Å
22	D	91.7	Very high	92.6	Very high	117 Å²	117	47.1 Å²	47.1	63%	0.626	26%	0.26	S	S	*	.	S	Bend	trans	-89.5	-13.5	-172.6	-62.9	-5.3	0	0	0	112.2	S20 T24 A27	S20-D22 VanDerWaalsContact C-N 3.32Å; S20-D22 PolarHBondContact O-N 3.29Å; D22-T24 HydrophobicContact CB-CG2 4.44Å; D22-T24 WeakPolarHBondContact O-CG2 3.46Å; D22-T24 PolarHBondContact O-N 3.38Å; D22-A27 HydrophobicContact CB-CB 4.09Å
23	L	92.7	Very high	92.4	Very high	49 Å²	49	52.9 Å²	52.9	26%	0.257	29%	0.285	S	S	.	.			trans	52	38.9	177.7	-60	172.2	0	0	0	113.7	S20 I64 A87 K90	S20-L23 WeakPolarHBondContact O-CD2 3.44Å; S20-L23 WeakPolarHBondContact O-CG 3.4Å; S20-L23 PolarHBondContact O-N 2.86Å; L23-I64 HydrophobicContact CB-CG2 4.29Å; L23-I64 HydrophobicContact CD2-CG2 4.07Å; L23-I64 WeakPolarHBondContact O-CD1 3.39Å; L23-A87 HydrophobicContact CD2-CB 4.37Å; L23-K90 HydrophobicContact CB-CG 4.33Å; L23-K90 HydrophobicContact CD1-CB 4.34Å; L23-K90 HydrophobicContact CD2-CB 4.39Å
24	T	92.5	Very high	92.3	Very high	50 Å²	50	48.3 Å²	48.3	31%	0.307	27%	0.266	S	S	.	.	S	Bend	trans	-115.3	164.4	176.8	68.9	0	0	0	0	112.3	D22 E26 A27 M28 I64	D22-T24 HydrophobicContact CB-CG2 4.44Å; D22-T24 WeakPolarHBondContact O-CG2 3.46Å; D22-T24 PolarHBondContact O-N 3.38Å; T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 WeakPolarHBondContact CB-OE2 3.41Å; T24-E26 PolarHBondContact O-N 3.42Å; T24-E26 PolarHBondContact OG1-OE2 3.18Å; T24-A27 PolarHBondContact O-N 2.97Å; T24-A27 WeakPolarHBondContact OG1-CB 3.21Å; T24-A27 PolarHBondContact OG1-N 3.31Å; T24-A27 VanDerWaalsContact OG1-N 3.11Å; T24-M28 PolarHBondContact O-N 3Å; T24-I64 VanDerWaalsContact C-CD1 3.48Å
25	V	87.9	Confident	92.1	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-38.8	173.5	173.4	0	0	0	0	110.2	A27 M28 M29 D38 I64 R66	V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 2.92Å; V25-M28 PolarHBondContact O-N 2.83Å; V25-M29 HydrophobicContact CG1-CG 3.86Å; V25-M29 VanDerWaalsContact O-CB 3.31Å; V25-M29 WeakPolarHBondContact O-CB 3.35Å; V25-M29 WeakPolarHBondContact O-CG 3.48Å; V25-M29 PolarHBondContact O-N 2.89Å; V25-D38 HydrophobicContact CG1-CB 3.97Å; V25-I64 HydrophobicContact CG2-CD1 4.36Å; V25-R66 HydrophobicContact CG2-CG 4.18Å
26	E	90.3	Very high	92	Very high	98 Å²	98	51.5 Å²	51.5	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-44.1	177.6	-65	72	-162.6	0	0	111.9	T24 M28 L30 A34	T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 WeakPolarHBondContact CB-OE2 3.41Å; T24-E26 PolarHBondContact O-N 3.42Å; T24-E26 PolarHBondContact OG1-OE2 3.18Å; E26-M28 PolarHBondContact O-N 2.74Å; E26-L30 PolarHBondContact O-N 2.9Å; E26-A34 HydrophobicContact CB-CB 4.3Å; E26-A34 HydrophobicContact CG-CB 4.16Å
27	A	89.6	Confident	91.9	Very high	18 Å²	18	50 Å²	50	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-40.9	179	0	0	0	0	0	112	H19 D22 T24 V25 L30	H19-A27 CarbonylContact O-C 3.31Å; H19-A27 WeakPolarHBondContact O-CB 3.39Å; D22-A27 HydrophobicContact CB-CB 4.09Å; T24-A27 PolarHBondContact O-N 2.97Å; T24-A27 WeakPolarHBondContact OG1-CB 3.21Å; T24-A27 PolarHBondContact OG1-N 3.31Å; T24-A27 VanDerWaalsContact OG1-N 3.11Å; V25-A27 VanDerWaalsContact C-N 3.35Å; V25-A27 PolarHBondContact O-N 2.92Å; A27-L30 WeakPolarHBondContact O-CD2 3.26Å
28	M	88.9	Confident	92	Very high	24 Å²	24	46.1 Å²	46.1	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-76.5	-33	179.9	-63.3	-165	-49.1	0	0	113.8	T24 V25 E26 I64 R66	T24-M28 PolarHBondContact O-N 3Å; V25-M28 PolarHBondContact O-N 2.83Å; E26-M28 PolarHBondContact O-N 2.74Å; M28-I64 HydrophobicContact CE-CB 4.37Å; M28-I64 HydrophobicContact CE-CD1 3.79Å; M28-I64 HydrophobicContact CE-CG1 3.49Å; M28-I64 VanDerWaalsContact CE-CG1 3.49Å; M28-I64 HydrophobicContact SD-CB 4.38Å; M28-I64 HydrophobicContact SD-CD1 4.4Å; M28-I64 HydrophobicContact SD-CG1 4.08Å; M28-I64 HydrophobicContact SD-CG2 3.99Å; M28-R66 HydrophobicContact CE-CG 3.8Å
29	M	90.6	Very high	92.1	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.069	27%	0.267	C	S	.	.	H	α-helix	trans	-78.2	-20.6	-178	-73.3	-77.9	-72.1	0	0	113.1	V25 D31 A34 L37 W127 Y212	V25-M29 HydrophobicContact CG1-CG 3.86Å; V25-M29 VanDerWaalsContact O-CB 3.31Å; V25-M29 WeakPolarHBondContact O-CB 3.35Å; V25-M29 WeakPolarHBondContact O-CG 3.48Å; V25-M29 PolarHBondContact O-N 2.89Å; M29-D31 PolarHBondContact O-N 2.93Å; M29-A34 HydrophobicContact CB-CB 3.53Å; M29-A34 HydrophobicContact CG-CB 4.05Å; M29-L37 HydrophobicContact CE-CB 3.66Å; M29-L37 HydrophobicContact CE-CD1 4.38Å; M29-W127 HydrophobicContact CE-CH2 4.19Å; M29-W127 HydrophobicContact SD-CH2 3.58Å; M29-W127 VanDerWaalsContact SD-CH2 3.58Å; M29-W127 HydrophobicContact SD-CZ3 3.54Å; M29-W127 VanDerWaalsContact SD-CZ3 3.54Å; M29-Y212 WeakPolarHBondContact CE-OH 3.33Å
30	L	92.8	Very high	92.2	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.047	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.6	177.2	-56.1	173.1	0	0	0	113.8	Y15 H19 E26 A27 G165 D166 S167	Y15-L30 HydrophobicContact CE1-CD1 4.35Å; Y15-L30 WeakPolarHBondContact OH-CD1 3.37Å; H19-L30 HydrophobicContact CB-CD2 3.95Å; H19-L30 VanDerWaalsContact ND1-CD2 3.29Å; H19-L30 WeakPolarHBondContact ND1-CD2 3.46Å; E26-L30 PolarHBondContact O-N 2.9Å; A27-L30 WeakPolarHBondContact O-CD2 3.26Å; L30-G165 CarbonylContact O-C 3.58Å; L30-G165 VanDerWaalsContact O-CA 3.26Å; L30-G165 WeakPolarHBondContact O-CA 3.34Å; L30-D166 PolarHBondContact O-N 3.42Å; L30-S167 VanDerWaalsContact O-CB 3.24Å; L30-S167 WeakPolarHBondContact O-CB 3.27Å; L30-S167 PolarHBondContact O-N 2.8Å; L30-S167 PolarHBondContact O-OG 3.06Å
31	D	94.1	Very high	92.5	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.043	28%	0.276	C	S	.	.	S	Bend	trans	-140.3	138.4	-175.7	-164.6	-81.4	0	0	0	111.6	M29 K33 A34 L37 G165 D166 S167 K216	M29-D31 PolarHBondContact O-N 2.93Å; D31-K33 PolarHBondContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CA 3.46Å; D31-K33 WeakPolarHBondContact OD1-CB 3.49Å; D31-K33 PolarHBondContact OD1-N 3.42Å; D31-A34 VanDerWaalsContact O-CB 3.3Å; D31-A34 WeakPolarHBondContact O-CB 3.11Å; D31-A34 PolarHBondContact O-N 2.87Å; D31-A34 VanDerWaalsContact O-N 3.1Å; D31-L37 HydrophobicContact CB-CD1 4.08Å; D31-G165 WeakPolarHBondContact OD2-CA 3.02Å; D31-D166 WeakPolarHBondContact CA-OD1 3.48Å; D31-S167 PolarHBondContact N-OG 3.33Å; D31-K216 IonicContact OD2-NZ 2.65Å; D31-K216 PolarHBondContact OD2-NZ 3.43Å
32	S	92.9	Very high	92.9	Very high	90 Å²	90	49.7 Å²	49.7	63%	0.629	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.1	179.2	68.7	0	0	0	0	113.7	D166	S32-D166 WeakPolarHBondContact CB-OD1 3.44Å; S32-D166 WeakPolarHBondContact CB-OD2 3.3Å; S32-D166 PolarHBondContact N-OD1 3.46Å; S32-D166 PolarHBondContact OG-OD1 3.11Å; S32-D166 PolarHBondContact OG-OD2 3.37Å
33	K	92.9	Very high	93.1	Very high	120 Å²	120	47.8 Å²	47.8	52%	0.522	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	26.3	176.2	-60.3	-171	178	-174.6	0	112.8	D31 S35 D36 L37	D31-K33 PolarHBondContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CA 3.46Å; D31-K33 WeakPolarHBondContact OD1-CB 3.49Å; D31-K33 PolarHBondContact OD1-N 3.42Å; K33-S35 VanDerWaalsContact C-N 3.26Å; K33-S35 PolarHBondContact O-N 3.5Å; K33-S35 VanDerWaalsContact O-N 3.15Å; K33-D36 PolarHBondContact O-N 3.45Å; K33-L37 PolarHBondContact O-N 2.82Å
34	A	92.6	Very high	93.2	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-48.5	-43.3	-178.1	0	0	0	0	0	113.9	E26 M29 D31 D36 L37 D38	E26-A34 HydrophobicContact CB-CB 4.3Å; E26-A34 HydrophobicContact CG-CB 4.16Å; M29-A34 HydrophobicContact CB-CB 3.53Å; M29-A34 HydrophobicContact CG-CB 4.05Å; D31-A34 VanDerWaalsContact O-CB 3.3Å; D31-A34 WeakPolarHBondContact O-CB 3.11Å; D31-A34 PolarHBondContact O-N 2.87Å; D31-A34 VanDerWaalsContact O-N 3.1Å; A34-D36 PolarHBondContact O-N 2.87Å; A34-L37 PolarHBondContact O-N 2.96Å; A34-D38 WeakPolarHBondContact O-CB 3.38Å; A34-D38 PolarHBondContact O-N 2.89Å
35	S	92.4	Very high	93.5	Very high	49 Å²	49	45 Å²	45	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-40.7	179.8	-171.8	0	0	0	0	113.2	K33 K39	K33-S35 VanDerWaalsContact C-N 3.26Å; K33-S35 PolarHBondContact O-N 3.5Å; K33-S35 VanDerWaalsContact O-N 3.15Å; S35-K39 WeakPolarHBondContact O-CD 3.47Å; S35-K39 VanDerWaalsContact O-CG 3.24Å; S35-K39 WeakPolarHBondContact O-CG 3.35Å; S35-K39 PolarHBondContact O-N 3.38Å
36	D	93.7	Very high	93.9	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	24%	0.236	S	C	.	.	H	α-helix	trans	-75.7	-40	-179.9	-65.7	-29.3	0	0	0	111.1	K33 A34 K39 E40	K33-D36 PolarHBondContact O-N 3.45Å; A34-D36 PolarHBondContact O-N 2.87Å; D36-K39 PolarHBondContact O-N 2.88Å; D36-K39 IonicContact OD1-NZ 2.65Å; D36-E40 PolarHBondContact O-N 3.29Å
37	L	94.3	Very high	94.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-49.3	173.3	-76.4	171.6	0	0	0	111.1	M29 D31 K33 A34 K39 E40 E41 Y212 N215 K216	M29-L37 HydrophobicContact CE-CB 3.66Å; M29-L37 HydrophobicContact CE-CD1 4.38Å; D31-L37 HydrophobicContact CB-CD1 4.08Å; K33-L37 PolarHBondContact O-N 2.82Å; A34-L37 PolarHBondContact O-N 2.96Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.06Å; L37-E40 PolarHBondContact O-N 2.82Å; L37-E41 VanDerWaalsContact O-CB 3.24Å; L37-E41 WeakPolarHBondContact O-CB 3.32Å; L37-E41 WeakPolarHBondContact O-CG 3.39Å; L37-E41 PolarHBondContact O-N 2.82Å; L37-Y212 HydrophobicContact CD1-CE1 4.21Å; L37-Y212 HydrophobicContact CD2-CD1 4.47Å; L37-Y212 HydrophobicContact CD2-CE1 4.34Å; L37-Y212 HydrophobicContact CD2-CE2 4.38Å; L37-N215 HydrophobicContact CD2-CB 3.59Å; L37-K216 HydrophobicContact CD1-CD 4.46Å; L37-K216 HydrophobicContact CD2-CG 4.35Å
38	D	95.9	Very high	94.3	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-39.1	-179.2	177.3	65.6	0	0	0	112.5	V25 A34 E40 R42 R66	V25-D38 HydrophobicContact CG1-CB 3.97Å; A34-D38 WeakPolarHBondContact O-CB 3.38Å; A34-D38 PolarHBondContact O-N 2.89Å; D38-E40 VanDerWaalsContact C-N 3.31Å; D38-E40 PolarHBondContact O-N 2.88Å; D38-R42 WeakPolarHBondContact O-CB 3.45Å; D38-R42 PolarHBondContact O-N 3.24Å; D38-R42 IonicContact OD1-CZ 2.69Å; D38-R42 IonicContact OD1-NE 2.7Å; D38-R42 PolarHBondContact OD1-NE 3.41Å; D38-R42 IonicContact OD1-NH2 3.14Å; D38-R42 PolarHBondContact OD1-NH2 3.25Å; D38-R42 IonicContact OD2-CZ 2.75Å; D38-R42 IonicContact OD2-NE 3.33Å; D38-R42 IonicContact OD2-NH2 3.95Å; D38-R42 PolarHBondContact OD2-NH2 2.93Å; D38-R66 IonicContact OD1-CZ 3.58Å; D38-R66 IonicContact OD1-NH1 2.88Å; D38-R66 PolarHBondContact OD1-NH1 3.09Å
39	K	95.5	Very high	94.6	Very high	132 Å²	132	45.6 Å²	45.6	57%	0.574	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-35.5	175.8	-76.1	168.4	-166.3	159.1	0	113.4	S35 D36 L37 P43	S35-K39 WeakPolarHBondContact O-CD 3.47Å; S35-K39 VanDerWaalsContact O-CG 3.24Å; S35-K39 WeakPolarHBondContact O-CG 3.35Å; S35-K39 PolarHBondContact O-N 3.38Å; D36-K39 PolarHBondContact O-N 2.88Å; D36-K39 IonicContact OD1-NZ 2.65Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 3.06Å; K39-P43 VanDerWaalsContact O-CD 3.3Å; K39-P43 WeakPolarHBondContact O-CD 3.42Å; K39-P43 WeakPolarHBondContact O-CG 3.49Å
40	E	95.2	Very high	94.8	Very high	71 Å²	71	45.5 Å²	45.5	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-89.3	-42.3	-179	-64.9	-167.5	174.1	0	0	112.1	D36 L37 D38 A211 K214 N215	D36-E40 PolarHBondContact O-N 3.29Å; L37-E40 PolarHBondContact O-N 2.82Å; D38-E40 VanDerWaalsContact C-N 3.31Å; D38-E40 PolarHBondContact O-N 2.88Å; E40-A211 HydrophobicContact CB-CB 3.89Å; E40-K214 IonicContact OE1-NZ 3.77Å; E40-K214 PolarHBondContact OE1-NZ 2.89Å; E40-K214 WeakPolarHBondContact OE2-CD 3.46Å; E40-K214 IonicContact OE2-NZ 3.84Å; E40-K214 PolarHBondContact OE2-NZ 3.29Å; E40-K214 VanDerWaalsContact OE2-NZ 3.07Å; E40-N215 PolarHBondContact OE2-ND2 2.55Å
41	E	96.1	Very high	94.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-81.7	-32.7	-171.6	79.2	94.6	-167.8	0	0	113	L37 E44 V45 R66 R157 I209 A211 Y212	L37-E41 VanDerWaalsContact O-CB 3.24Å; L37-E41 WeakPolarHBondContact O-CB 3.32Å; L37-E41 WeakPolarHBondContact O-CG 3.39Å; L37-E41 PolarHBondContact O-N 2.82Å; E41-E44 WeakPolarHBondContact O-CB 3.33Å; E41-E44 PolarHBondContact O-N 2.77Å; E41-V45 WeakPolarHBondContact O-CG2 3.42Å; E41-V45 PolarHBondContact O-N 2.86Å; E41-V45 WeakPolarHBondContact OE2-CG2 3.43Å; E41-R66 IonicContact OE1-CZ 3.9Å; E41-R66 IonicContact OE1-NH1 3.3Å; E41-R66 PolarHBondContact OE1-NH1 3.45Å; E41-R66 IonicContact OE1-NH2 3.35Å; E41-R66 PolarHBondContact OE1-NH2 3.01Å; E41-R157 IonicContact OE2-CZ 3.22Å; E41-R157 IonicContact OE2-NH1 3.39Å; E41-R157 PolarHBondContact OE2-NH1 3.2Å; E41-R157 IonicContact OE2-NH2 2.75Å; E41-I209 HydrophobicContact CB-CG2 4.29Å; E41-A211 HydrophobicContact CB-CB 3.65Å; E41-Y212 HydrophobicContact CB-CD2 4.39Å; E41-Y212 HydrophobicContact CB-CE2 4.02Å; E41-Y212 HydrophobicContact CG-CE2 4.12Å
42	R	97.2	Very high	95.1	Very high	58 Å²	58	50 Å²	50	22%	0.219	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-47.7	-177.7	-173.6	-163.3	-60.3	-164.9	-1.2	112.1	D38 E44 V45 L46 R66 F67	D38-R42 WeakPolarHBondContact O-CB 3.45Å; D38-R42 PolarHBondContact O-N 3.24Å; D38-R42 IonicContact OD1-CZ 2.69Å; D38-R42 IonicContact OD1-NE 2.7Å; D38-R42 PolarHBondContact OD1-NE 3.41Å; D38-R42 IonicContact OD1-NH2 3.14Å; D38-R42 PolarHBondContact OD1-NH2 3.25Å; D38-R42 IonicContact OD2-CZ 2.75Å; D38-R42 IonicContact OD2-NE 3.33Å; D38-R42 IonicContact OD2-NH2 3.95Å; D38-R42 PolarHBondContact OD2-NH2 2.93Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 PolarHBondContact O-N 3.35Å; R42-V45 PolarHBondContact O-N 3.4Å; R42-L46 HydrophobicContact CG-CD1 4.21Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 2.88Å; R42-R66 WeakPolarHBondContact CD-O 3.17Å; R42-R66 PolarHBondContact NH1-O 2.73Å; R42-F67 HydrophobicContact CB-CE1 4.2Å; R42-F67 HydrophobicContact CG-CD1 3.87Å; R42-F67 HydrophobicContact CG-CE1 3.49Å; R42-F67 VanDerWaalsContact CG-CE1 3.49Å; R42-F67 HydrophobicContact CG-CZ 4.21Å
43	P	97.3	Very high	95.4	Very high	76 Å²	76	52.6 Å²	52.6	49%	0.494	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-35.3	173.9	-21.4	34.3	0	0	0	112.5	K39 S47	K39-P43 VanDerWaalsContact O-CD 3.3Å; K39-P43 WeakPolarHBondContact O-CD 3.42Å; K39-P43 WeakPolarHBondContact O-CG 3.49Å; P43-S47 WeakPolarHBondContact O-CB 3.49Å; P43-S47 PolarHBondContact O-N 2.84Å
44	E	95.5	Very high	95.6	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-53.7	175.9	-177.3	-179.9	-174	0	0	110.9	E41 R42 L46 S47 L48 I209 G210 A211	E41-E44 WeakPolarHBondContact O-CB 3.33Å; E41-E44 PolarHBondContact O-N 2.77Å; R42-E44 VanDerWaalsContact C-N 3.28Å; R42-E44 PolarHBondContact O-N 3.35Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.05Å; E44-S47 WeakPolarHBondContact O-CB 3.33Å; E44-S47 PolarHBondContact O-N 2.81Å; E44-S47 PolarHBondContact O-OG 3.48Å; E44-L48 HydrophobicContact CG-CD1 4.35Å; E44-L48 WeakPolarHBondContact O-CG 3.37Å; E44-L48 PolarHBondContact O-N 2.8Å; E44-I209 VanDerWaalsContact OE2-CG2 3.26Å; E44-I209 WeakPolarHBondContact OE2-CG2 3.49Å; E44-G210 VanDerWaalsContact CD-N 3.35Å; E44-G210 WeakPolarHBondContact OE1-CA 3.22Å; E44-G210 PolarHBondContact OE1-N 2.97Å; E44-G210 PolarHBondContact OE2-N 3.08Å; E44-A211 WeakPolarHBondContact OE2-CB 3.26Å; E44-A211 PolarHBondContact OE2-N 2.83Å
45	V	97.1	Very high	95.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-45.8	178	170.5	0	0	0	0	110.9	E41 R42 S47 L48 I49 F67 F124 F155 I209	E41-V45 WeakPolarHBondContact O-CG2 3.42Å; E41-V45 PolarHBondContact O-N 2.86Å; E41-V45 WeakPolarHBondContact OE2-CG2 3.43Å; R42-V45 PolarHBondContact O-N 3.4Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 2.88Å; V45-L48 PolarHBondContact O-N 2.96Å; V45-L48 VanDerWaalsContact O-N 3.1Å; V45-I49 WeakPolarHBondContact O-CG1 3.27Å; V45-I49 PolarHBondContact O-N 2.97Å; V45-F67 HydrophobicContact CB-CE1 3.88Å; V45-F67 HydrophobicContact CB-CZ 4.09Å; V45-F67 HydrophobicContact CG1-CE1 3.73Å; V45-F67 HydrophobicContact CG1-CZ 3.85Å; V45-F67 HydrophobicContact CG2-CZ 4.49Å; V45-F124 HydrophobicContact CG1-CE2 3.81Å; V45-F124 HydrophobicContact CG1-CZ 3.94Å; V45-F155 HydrophobicContact CG1-CE1 4.04Å; V45-F155 HydrophobicContact CG1-CZ 4Å; V45-I209 HydrophobicContact CG2-CD1 4.17Å
46	L	97.4	Very high	96.2	Very high	35 Å²	35	51 Å²	51	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-33.2	177.1	-73.8	166.9	0	0	0	113.1	R42 E44 L48 I49 F67 E70	R42-L46 HydrophobicContact CG-CD1 4.21Å; R42-L46 WeakPolarHBondContact O-CG 3.44Å; R42-L46 PolarHBondContact O-N 2.88Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.05Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-I49 HydrophobicContact CD2-CD1 4Å; L46-F67 HydrophobicContact CD2-CD1 3.98Å; L46-F67 HydrophobicContact CG-CD1 3.97Å; L46-F67 HydrophobicContact CG-CE1 4.33Å; L46-E70 HydrophobicContact CD1-CB 3.84Å; L46-E70 HydrophobicContact CD1-CG 3.78Å; L46-E70 HydrophobicContact CD2-CB 3.87Å
47	S	95.1	Very high	96.5	Very high	94 Å²	94	47 Å²	47	66%	0.657	26%	0.259	S	S	*	.	H	α-helix	trans	-73.4	-20.8	177.9	77.8	0	0	0	0	113.5	P43 E44 V45	P43-S47 WeakPolarHBondContact O-CB 3.49Å; P43-S47 PolarHBondContact O-N 2.84Å; E44-S47 WeakPolarHBondContact O-CB 3.33Å; E44-S47 PolarHBondContact O-N 2.81Å; E44-S47 PolarHBondContact O-OG 3.48Å; V45-S47 VanDerWaalsContact C-N 3.26Å; V45-S47 PolarHBondContact O-N 2.88Å
48	L	92.8	Very high	96.7	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-88.9	-11.3	178.9	-64	172	0	0	0	112.8	E44 V45 L46 F155 K207 I209 I225	E44-L48 HydrophobicContact CG-CD1 4.35Å; E44-L48 WeakPolarHBondContact O-CG 3.37Å; E44-L48 PolarHBondContact O-N 2.8Å; V45-L48 PolarHBondContact O-N 2.96Å; V45-L48 VanDerWaalsContact O-N 3.1Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L48-F155 HydrophobicContact CB-CE2 3.9Å; L48-K207 HydrophobicContact CD1-CD 4.41Å; L48-K207 HydrophobicContact CD2-CD 3.94Å; L48-I209 HydrophobicContact CD1-CD1 3.95Å; L48-I225 WeakPolarHBondContact O-CD1 3.08Å
49	I	96	Very high	96.8	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.087	25%	0.254	C	S	.	.	S	Bend	trans	-69.5	128.8	-179.6	-55.8	-176.3	0	0	0	109.8	V45 L46 Y52 L71 L122 F124	V45-I49 WeakPolarHBondContact O-CG1 3.27Å; V45-I49 PolarHBondContact O-N 2.97Å; L46-I49 HydrophobicContact CD2-CD1 4Å; I49-Y52 HydrophobicContact CB-CD1 4.31Å; I49-Y52 HydrophobicContact CB-CE1 4.14Å; I49-Y52 HydrophobicContact CG2-CD1 3.51Å; I49-Y52 HydrophobicContact CG2-CE1 3.73Å; I49-Y52 HydrophobicContact CG2-CG 4.48Å; I49-L71 HydrophobicContact CD1-CD2 3.81Å; I49-L122 HydrophobicContact CG2-CD1 4.15Å; I49-L122 HydrophobicContact CG2-CD2 3.3Å; I49-L122 HydrophobicContact CG2-CG 4.37Å; I49-F124 HydrophobicContact CD1-CD2 3.75Å; I49-F124 HydrophobicContact CD1-CE2 3.65Å; I49-F124 HydrophobicContact CD1-CG 4.47Å; I49-F124 HydrophobicContact CD1-CZ 4.3Å; I49-F124 HydrophobicContact CG1-CD2 4.18Å; I49-F124 HydrophobicContact CG1-CE2 4.12Å
50	P	94.7	Very high	97	Very high	12 Å²	12	40 Å²	40	8%	0.078	23%	0.227	C	C	.	.			trans	-56.7	160.9	174.9	-27.5	36.9	0	0	0	113.3	Y52 Y153 I225	P50-Y52 VanDerWaalsContact O-CD1 3.31Å; P50-Y52 WeakPolarHBondContact O-CD1 3.42Å; P50-Y52 PolarHBondContact O-N 3.3Å; P50-Y153 HydrophobicContact CB-CD1 3.6Å; P50-Y153 HydrophobicContact CB-CD2 3.64Å; P50-Y153 HydrophobicContact CB-CE1 3.89Å; P50-Y153 HydrophobicContact CB-CE2 3.95Å; P50-Y153 HydrophobicContact CB-CG 3.46Å; P50-Y153 VanDerWaalsContact CB-CG 3.46Å; P50-Y153 HydrophobicContact CG-CD1 3.57Å; P50-Y153 HydrophobicContact CG-CD2 4.35Å; P50-Y153 HydrophobicContact CG-CE1 4.19Å; P50-Y153 HydrophobicContact CG-CG 3.66Å; P50-I225 HydrophobicContact CG-CG2 3.33Å
51	P	95.3	Very high	97.1	Very high	95 Å²	95	38 Å²	38	62%	0.617	23%	0.226	S	C	*	.			trans	-55.7	115.2	-177.1	-25.9	34.6	0	0	0	113.5	K55	P51-K55 PolarHBondContact O-NZ 2.94Å
52	Y	98	Very high	97.2	Very high	16 Å²	16	38.3 Å²	38.3	6%	0.063	23%	0.229	C	C	.	.			trans	-128	5.2	-177.5	70.1	-89.2	0	0	0	114.5	I49 P50 G54 K55 V57 L71 K74 A75 L122	I49-Y52 HydrophobicContact CB-CD1 4.31Å; I49-Y52 HydrophobicContact CB-CE1 4.14Å; I49-Y52 HydrophobicContact CG2-CD1 3.51Å; I49-Y52 HydrophobicContact CG2-CE1 3.73Å; I49-Y52 HydrophobicContact CG2-CG 4.48Å; P50-Y52 VanDerWaalsContact O-CD1 3.31Å; P50-Y52 WeakPolarHBondContact O-CD1 3.42Å; P50-Y52 PolarHBondContact O-N 3.3Å; Y52-G54 PolarHBondContact O-N 2.86Å; Y52-K55 VanDerWaalsContact O-CB 3.26Å; Y52-K55 WeakPolarHBondContact O-CB 3.43Å; Y52-K55 PolarHBondContact O-N 3.33Å; Y52-V57 HydrophobicContact CD2-CG2 3.85Å; Y52-V57 HydrophobicContact CG-CG2 4.34Å; Y52-L71 HydrophobicContact CE1-CD2 4.35Å; Y52-L71 HydrophobicContact CE2-CD2 3.99Å; Y52-K74 HydrophobicContact CD2-CB 4.28Å; Y52-K74 HydrophobicContact CE2-CB 3.52Å; Y52-K74 HydrophobicContact CE2-CD 4.38Å; Y52-A75 HydrophobicContact CD2-CB 4.13Å; Y52-A75 HydrophobicContact CE2-CB 4.37Å; Y52-L122 HydrophobicContact CD1-CD2 4Å; Y52-L122 HydrophobicContact CG-CD2 3.86Å
53	E	98.1	Very high	97.2	Very high	146 Å²	146	35.8 Å²	35.8	68%	0.682	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	129.5	179.3	-172.5	166.6	-158.3	0	0	111.4	K55 K74	E53-K55 WeakPolarHBondContact O-CG 3.08Å; E53-K55 PolarHBondContact O-N 2.95Å; E53-K74 CarbonylContact C-O 3.57Å; E53-K74 WeakPolarHBondContact CA-O 3.48Å
54	G	98.2	Very high	97.2	Very high	59 Å²	59	33.2 Å²	33.2	61%	0.608	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	5.7	-174.5	0	0	0	0	0	115.5	Y52 K74	Y52-G54 PolarHBondContact O-N 2.86Å; G54-K74 PolarHBondContact N-O 3.49Å
55	K	98.5	Very high	97.3	Very high	75 Å²	75	32 Å²	32	33%	0.326	20%	0.2	S	C	.	.	S	Bend	trans	-101.6	170.9	-175	-53.4	-160.1	-178.6	70.5	0	113.6	P51 Y52 E53 G76 E77 D121	P51-K55 PolarHBondContact O-NZ 2.94Å; Y52-K55 VanDerWaalsContact O-CB 3.26Å; Y52-K55 WeakPolarHBondContact O-CB 3.43Å; Y52-K55 PolarHBondContact O-N 3.33Å; E53-K55 WeakPolarHBondContact O-CG 3.08Å; E53-K55 PolarHBondContact O-N 2.95Å; K55-G76 PolarHBondContact O-N 3.28Å; K55-E77 PolarHBondContact O-N 3.25Å; K55-D121 HydrophobicContact CB-CB 3.57Å; K55-D121 HydrophobicContact CD-CB 3.7Å; K55-D121 HydrophobicContact CG-CB 4.23Å
56	S	98.7	Very high	97.2	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.5	175.8	-176.2	0	0	0	0	111.8	E77 S119 I120 D121 L122	S56-E77 WeakPolarHBondContact CB-OE1 3.41Å; S56-E77 WeakPolarHBondContact OG-CG 3.37Å; S56-E77 PolarHBondContact OG-OE1 2.91Å; S56-S119 PolarHBondContact OG-O 3.07Å; S56-I120 WeakPolarHBondContact OG-CD1 3.47Å; S56-D121 WeakPolarHBondContact CB-OD2 3.28Å; S56-D121 PolarHBondContact N-OD2 2.8Å; S56-D121 WeakPolarHBondContact O-CA 3.31Å; S56-D121 WeakPolarHBondContact O-CB 3.47Å; S56-D121 PolarHBondContact O-N 2.95Å; S56-L122 PolarHBondContact O-N 2.83Å
57	V	98.9	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.8	-177.1	-176.4	0	0	0	0	110.8	Y52 L71 A75 E77 V78 I79 L122	Y52-V57 HydrophobicContact CD2-CG2 3.85Å; Y52-V57 HydrophobicContact CG-CG2 4.34Å; V57-L71 HydrophobicContact CG1-CD1 4.36Å; V57-A75 HydrophobicContact CB-CB 4.35Å; V57-A75 HydrophobicContact CG2-CB 3.62Å; V57-E77 PolarHBondContact N-O 3.28Å; V57-V78 HydrophobicContact CB-CG2 4.35Å; V57-V78 CarbonylContact O-C 3.43Å; V57-V78 WeakPolarHBondContact O-CA 3.48Å; V57-I79 PolarHBondContact O-N 3.33Å; V57-L122 CarbonylContact C-O 3.51Å; V57-L122 VanDerWaalsContact CA-O 3.31Å; V57-L122 WeakPolarHBondContact CA-O 3.48Å; V57-L122 HydrophobicContact CG1-CD2 4.05Å; V57-L122 HydrophobicContact CG1-CG 4.31Å; V57-L122 HydrophobicContact CG2-CB 4.26Å; V57-L122 HydrophobicContact CG2-CD2 4.21Å
58	L	98.8	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	107.8	169	177.7	60.8	0	0	0	109.1	L60 I79 I115 I120 L122 I123 F124 W147	L58-L60 HydrophobicContact CD1-CD2 3.81Å; L58-L60 HydrophobicContact CD2-CD2 3.87Å; L58-L60 HydrophobicContact CD2-CG 4.37Å; L58-L60 HydrophobicContact CG-CD2 3.63Å; L58-L60 HydrophobicContact CG-CG 4.02Å; L58-I79 HydrophobicContact CD1-CB 3.69Å; L58-I79 HydrophobicContact CD1-CG2 3.63Å; L58-I115 HydrophobicContact CD1-CD1 4.29Å; L58-I115 HydrophobicContact CD2-CD1 4.42Å; L58-I115 HydrophobicContact CD2-CG1 4.12Å; L58-I115 HydrophobicContact CD2-CG2 4.27Å; L58-I120 HydrophobicContact CB-CD1 4.15Å; L58-I120 HydrophobicContact CB-CG1 4.17Å; L58-I120 HydrophobicContact CB-CG2 3.86Å; L58-I120 HydrophobicContact CD2-CG1 4.43Å; L58-L122 PolarHBondContact N-O 2.81Å; L58-I123 HydrophobicContact CB-CG1 4.37Å; L58-I123 HydrophobicContact CD2-CG1 4.41Å; L58-I123 CarbonylContact O-C 3.54Å; L58-I123 WeakPolarHBondContact O-CA 3.39Å; L58-F124 PolarHBondContact O-N 2.9Å; L58-W147 HydrophobicContact CD2-CE3 3.67Å; L58-W147 HydrophobicContact CD2-CZ3 3.84Å
59	E	98.8	Very high	97.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.2	173.6	177.2	178.8	-150.4	0	0	109.6	A62 T68 L71 I79 L81 F124	E59-A62 HydrophobicContact CG-CB 3.76Å; E59-T68 VanDerWaalsContact CD-OG1 3.29Å; E59-T68 PolarHBondContact OE1-N 3.43Å; E59-T68 PolarHBondContact OE1-OG1 3.48Å; E59-T68 VanDerWaalsContact OE2-CA 3.26Å; E59-T68 WeakPolarHBondContact OE2-CA 3.35Å; E59-T68 WeakPolarHBondContact OE2-CB 3.24Å; E59-T68 PolarHBondContact OE2-OG1 2.73Å; E59-L71 HydrophobicContact CB-CD1 4.15Å; E59-L71 HydrophobicContact CG-CD1 4.29Å; E59-I79 PolarHBondContact N-O 3.36Å; E59-L81 PolarHBondContact O-N 3.16Å; E59-F124 CarbonylContact C-O 3.41Å; E59-F124 WeakPolarHBondContact CA-O 3.26Å; E59-F124 HydrophobicContact CB-CD1 4.46Å; E59-F124 HydrophobicContact CG-CD1 4Å; E59-F124 HydrophobicContact CG-CE1 4.49Å
60	L	98.7	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.8	-178.9	-57.3	176.4	0	0	0	110.5	L58 L81 V108 I123 F124 S125 L128 M140 M144	L58-L60 HydrophobicContact CD1-CD2 3.81Å; L58-L60 HydrophobicContact CD2-CD2 3.87Å; L58-L60 HydrophobicContact CD2-CG 4.37Å; L58-L60 HydrophobicContact CG-CD2 3.63Å; L58-L60 HydrophobicContact CG-CG 4.02Å; L60-L81 HydrophobicContact CD2-CB 4.16Å; L60-L81 HydrophobicContact CD2-CD1 3.79Å; L60-L81 HydrophobicContact CD2-CD2 4.45Å; L60-L81 HydrophobicContact CD2-CG 4.38Å; L60-V108 HydrophobicContact CB-CG1 4.28Å; L60-V108 HydrophobicContact CD2-CG1 4.09Å; L60-I123 HydrophobicContact CD1-CG2 3.7Å; L60-I123 HydrophobicContact CG-CG2 4.24Å; L60-F124 PolarHBondContact N-O 3.32Å; L60-S125 WeakPolarHBondContact O-CB 3.47Å; L60-L128 HydrophobicContact CB-CD2 3.56Å; L60-L128 HydrophobicContact CD1-CD2 4.15Å; L60-M140 HydrophobicContact CD1-CE 3.54Å; L60-M144 HydrophobicContact CD1-CE 3.62Å
61	G	98.1	Very high	98	Very high	30 Å²	30	28.5 Å²	28.5	31%	0.309	17%	0.172	S	C	.	.	S	Bend	trans	72.1	45	-171.6	0	0	0	0	0	111.4	G63 L81	G61-G63 PolarHBondContact O-N 3.26Å; G61-L81 WeakPolarHBondContact CA-O 3.47Å; G61-L81 PolarHBondContact N-O 3.19Å
62	A	98.2	Very high	98.1	Very high	6 Å²	6	24.1 Å²	24.1	5%	0.05	14%	0.144	C	C	.	.			trans	-64.4	-19.5	-173.7	0	0	0	0	0	113.7	E59 I64 G65 A80 L81 D82 I88	E59-A62 HydrophobicContact CG-CB 3.76Å; A62-I64 PolarHBondContact O-N 3.48Å; A62-G65 PolarHBondContact O-N 2.99Å; A62-A80 HydrophobicContact CB-CB 3.99Å; A62-L81 PolarHBondContact N-O 3.49Å; A62-D82 PolarHBondContact N-OD2 3.04Å; A62-I88 HydrophobicContact CB-CD1 4.3Å
63	G	97	Very high	98.1	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-138.8	-175.4	0	0	0	0	0	111.7	G61 G65 D82 A87 N91	G61-G63 PolarHBondContact O-N 3.26Å; G63-G65 PolarHBondContact O-N 3.44Å; G63-D82 VanDerWaalsContact CA-OD2 3.31Å; G63-D82 WeakPolarHBondContact CA-OD2 3.46Å; G63-D82 PolarHBondContact N-OD2 3.12Å; G63-A87 CarbonylContact O-C 3.39Å; G63-N91 WeakPolarHBondContact O-CB 3.38Å; G63-N91 PolarHBondContact O-ND2 3.01Å
64	I	96.9	Very high	98.1	Very high	22 Å²	22	27.2 Å²	27.2	11%	0.113	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.8	176.4	76.9	-169.8	0	0	0	114.1	L23 T24 V25 M28 A62 A87 K90 N91	L23-I64 HydrophobicContact CB-CG2 4.29Å; L23-I64 HydrophobicContact CD2-CG2 4.07Å; L23-I64 WeakPolarHBondContact O-CD1 3.39Å; T24-I64 VanDerWaalsContact C-CD1 3.48Å; V25-I64 HydrophobicContact CG2-CD1 4.36Å; M28-I64 HydrophobicContact CE-CB 4.37Å; M28-I64 HydrophobicContact CE-CD1 3.79Å; M28-I64 HydrophobicContact CE-CG1 3.49Å; M28-I64 VanDerWaalsContact CE-CG1 3.49Å; M28-I64 HydrophobicContact SD-CB 4.38Å; M28-I64 HydrophobicContact SD-CD1 4.4Å; M28-I64 HydrophobicContact SD-CG1 4.08Å; M28-I64 HydrophobicContact SD-CG2 3.99Å; A62-I64 PolarHBondContact O-N 3.48Å; I64-A87 HydrophobicContact CG2-CB 4.39Å; I64-K90 HydrophobicContact CB-CB 4.34Å; I64-K90 HydrophobicContact CB-CG 3.82Å; I64-K90 HydrophobicContact CG2-CB 4.15Å; I64-K90 HydrophobicContact CG2-CG 3.89Å; I64-N91 WeakPolarHBondContact O-CA 3.37Å
65	G	97.2	Very high	98.1	Very high	13 Å²	13	24.8 Å²	24.8	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	46.8	171.9	0	0	0	0	0	116.7	A62 G63 F67 T68 N91	A62-G65 PolarHBondContact O-N 2.99Å; G63-G65 PolarHBondContact O-N 3.44Å; G65-F67 VanDerWaalsContact C-N 3.31Å; G65-F67 PolarHBondContact O-N 3.49Å; G65-T68 VanDerWaalsContact CA-OG1 3.28Å; G65-T68 WeakPolarHBondContact CA-OG1 3.34Å; G65-N91 VanDerWaalsContact CA-CG 3.41Å; G65-N91 WeakPolarHBondContact CA-ND2 3.35Å; G65-N91 WeakPolarHBondContact CA-OD1 3.42Å; G65-N91 PolarHBondContact N-ND2 3Å
66	R	96.4	Very high	98.1	Very high	20 Å²	20	23.3 Å²	23.3	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-36.3	175.4	-62.7	-167.3	-51.4	125.5	-0.3	112.9	V25 M28 D38 E41 R42 N126 W127	V25-R66 HydrophobicContact CG2-CG 4.18Å; M28-R66 HydrophobicContact CE-CG 3.8Å; D38-R66 IonicContact OD1-CZ 3.58Å; D38-R66 IonicContact OD1-NH1 2.88Å; D38-R66 PolarHBondContact OD1-NH1 3.09Å; E41-R66 IonicContact OE1-CZ 3.9Å; E41-R66 IonicContact OE1-NH1 3.3Å; E41-R66 PolarHBondContact OE1-NH1 3.45Å; E41-R66 IonicContact OE1-NH2 3.35Å; E41-R66 PolarHBondContact OE1-NH2 3.01Å; R42-R66 WeakPolarHBondContact CD-O 3.17Å; R42-R66 PolarHBondContact NH1-O 2.73Å; R66-N126 PolarHBondContact NH2-ND2 3.45Å; R66-W127 VanDerWaalsContact NH2-CZ3 3.29Å
67	F	98.3	Very high	98.1	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-26.9	179.8	-59.1	-77.7	0	0	0	112.8	R42 V45 L46 G65 G69 E70 L71 F124 N126	R42-F67 HydrophobicContact CB-CE1 4.2Å; R42-F67 HydrophobicContact CG-CD1 3.87Å; R42-F67 HydrophobicContact CG-CE1 3.49Å; R42-F67 VanDerWaalsContact CG-CE1 3.49Å; R42-F67 HydrophobicContact CG-CZ 4.21Å; V45-F67 HydrophobicContact CB-CE1 3.88Å; V45-F67 HydrophobicContact CB-CZ 4.09Å; V45-F67 HydrophobicContact CG1-CE1 3.73Å; V45-F67 HydrophobicContact CG1-CZ 3.85Å; V45-F67 HydrophobicContact CG2-CZ 4.49Å; L46-F67 HydrophobicContact CD2-CD1 3.98Å; L46-F67 HydrophobicContact CG-CD1 3.97Å; L46-F67 HydrophobicContact CG-CE1 4.33Å; G65-F67 VanDerWaalsContact C-N 3.31Å; G65-F67 PolarHBondContact O-N 3.49Å; F67-G69 VanDerWaalsContact C-N 3.33Å; F67-G69 PolarHBondContact O-N 2.99Å; F67-G69 VanDerWaalsContact O-N 3.16Å; F67-E70 WeakPolarHBondContact O-CB 3.16Å; F67-E70 PolarHBondContact O-N 2.87Å; F67-L71 HydrophobicContact CB-CD1 4.22Å; F67-L71 HydrophobicContact CB-CG 4.43Å; F67-L71 WeakPolarHBondContact O-CG 3.32Å; F67-L71 PolarHBondContact O-N 3.45Å; F67-F124 HydrophobicContact CB-CE1 3.75Å; F67-F124 HydrophobicContact CB-CZ 4.19Å; F67-F124 HydrophobicContact CD1-CE1 4.49Å; F67-F124 HydrophobicContact CD1-CZ 4.08Å; F67-F124 AromaticContact CD2-CE1 3.74Å; F67-F124 HydrophobicContact CD2-CE1 3.74Å; F67-F124 AromaticContact CD2-CZ 3.77Å; F67-F124 HydrophobicContact CD2-CZ 3.77Å; F67-F124 HydrophobicContact CE1-CZ 4.39Å; F67-F124 HydrophobicContact CE2-CE1 4.46Å; F67-F124 HydrophobicContact CE2-CZ 4.11Å; F67-F124 AromaticContact CG-CE1 3.76Å; F67-F124 HydrophobicContact CG-CE1 3.76Å; F67-F124 AromaticContact CG-CZ 3.75Å; F67-F124 HydrophobicContact CG-CZ 3.75Å; F67-F124 HydrophobicContact CZ-CZ 4.41Å; F67-N126 HydrophobicContact CE2-CB 3.91Å
68	T	98.6	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-47.2	-48.1	-174.6	-48.1	0	0	0	0	114.3	E59 G65 L71 A72 A80 N91 N95 I101 F103	E59-T68 VanDerWaalsContact CD-OG1 3.29Å; E59-T68 PolarHBondContact OE1-N 3.43Å; E59-T68 PolarHBondContact OE1-OG1 3.48Å; E59-T68 VanDerWaalsContact OE2-CA 3.26Å; E59-T68 WeakPolarHBondContact OE2-CA 3.35Å; E59-T68 WeakPolarHBondContact OE2-CB 3.24Å; E59-T68 PolarHBondContact OE2-OG1 2.73Å; G65-T68 VanDerWaalsContact CA-OG1 3.28Å; G65-T68 WeakPolarHBondContact CA-OG1 3.34Å; T68-L71 PolarHBondContact O-N 2.75Å; T68-A72 WeakPolarHBondContact O-CB 3.43Å; T68-A72 PolarHBondContact O-N 2.82Å; T68-A80 HydrophobicContact CG2-CB 3.87Å; T68-N91 PolarHBondContact OG1-ND2 2.95Å; T68-N95 HydrophobicContact CG2-CB 4.45Å; T68-I101 HydrophobicContact CG2-CD1 4.06Å; T68-I101 HydrophobicContact CG2-CG2 4.29Å; T68-F103 HydrophobicContact CG2-CE1 4.32Å
69	G	98.1	Very high	98.1	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-36.8	179.2	0	0	0	0	0	113.8	F67 A72 Q73 N95	F67-G69 VanDerWaalsContact C-N 3.33Å; F67-G69 PolarHBondContact O-N 2.99Å; F67-G69 VanDerWaalsContact O-N 3.16Å; G69-A72 PolarHBondContact O-N 3.2Å; G69-Q73 WeakPolarHBondContact O-CG 3.22Å; G69-Q73 PolarHBondContact O-N 2.95Å; G69-Q73 PolarHBondContact O-NE2 3.45Å; G69-N95 WeakPolarHBondContact CA-OD1 3.47Å
70	E	98	Very high	98.1	Very high	85 Å²	85	29 Å²	29	40%	0.397	16%	0.164	S	C	.	.	H	α-helix	trans	-69.6	-40.2	176.6	-64.6	-73.1	179.3	0	0	111.2	L46 F67 Q73	L46-E70 HydrophobicContact CD1-CB 3.84Å; L46-E70 HydrophobicContact CD1-CG 3.78Å; L46-E70 HydrophobicContact CD2-CB 3.87Å; F67-E70 WeakPolarHBondContact O-CB 3.16Å; F67-E70 PolarHBondContact O-N 2.87Å; E70-Q73 PolarHBondContact O-N 3.44Å; E70-Q73 PolarHBondContact OE2-NE2 3.39Å
71	L	98.6	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-45.6	173	-66	172.8	0	0	0	110.9	I49 Y52 V57 E59 F67 T68 Q73 K74 A75 V78 F124	I49-L71 HydrophobicContact CD1-CD2 3.81Å; Y52-L71 HydrophobicContact CE1-CD2 4.35Å; Y52-L71 HydrophobicContact CE2-CD2 3.99Å; V57-L71 HydrophobicContact CG1-CD1 4.36Å; E59-L71 HydrophobicContact CB-CD1 4.15Å; E59-L71 HydrophobicContact CG-CD1 4.29Å; F67-L71 HydrophobicContact CB-CD1 4.22Å; F67-L71 HydrophobicContact CB-CG 4.43Å; F67-L71 WeakPolarHBondContact O-CG 3.32Å; F67-L71 PolarHBondContact O-N 3.45Å; T68-L71 PolarHBondContact O-N 2.75Å; L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 3.06Å; L71-K74 PolarHBondContact O-N 3.23Å; L71-K74 VanDerWaalsContact O-N 3.17Å; L71-A75 VanDerWaalsContact O-CB 3.23Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 3.13Å; L71-V78 HydrophobicContact CB-CG2 4.32Å; L71-F124 HydrophobicContact CD1-CD1 3.8Å; L71-F124 HydrophobicContact CD1-CE1 4.21Å; L71-F124 HydrophobicContact CD1-CG 4.47Å
72	A	98.4	Very high	98.1	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-26.4	-177.7	0	0	0	0	0	114	T68 G69 K74 V78 Y98 N100 I101	T68-A72 WeakPolarHBondContact O-CB 3.43Å; T68-A72 PolarHBondContact O-N 2.82Å; G69-A72 PolarHBondContact O-N 3.2Å; A72-K74 PolarHBondContact O-N 2.86Å; A72-V78 HydrophobicContact CB-CG2 4.23Å; A72-Y98 HydrophobicContact CB-CD1 4.17Å; A72-Y98 HydrophobicContact CB-CD2 4.06Å; A72-Y98 HydrophobicContact CB-CG 3.86Å; A72-N100 PolarHBondContact O-ND2 3.37Å; A72-I101 HydrophobicContact CB-CD1 3.51Å; A72-I101 HydrophobicContact CB-CG1 3.61Å
73	Q	98	Very high	98.1	Very high	114 Å²	114	29.6 Å²	29.6	53%	0.533	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-26.5	175.2	-76.7	174.3	70.6	0	0	113.3	G69 E70 L71 Y98	G69-Q73 WeakPolarHBondContact O-CG 3.22Å; G69-Q73 PolarHBondContact O-N 2.95Å; G69-Q73 PolarHBondContact O-NE2 3.45Å; E70-Q73 PolarHBondContact O-N 3.44Å; E70-Q73 PolarHBondContact OE2-NE2 3.39Å; L71-Q73 VanDerWaalsContact C-N 3.28Å; L71-Q73 PolarHBondContact O-N 3.06Å; Q73-Y98 HydrophobicContact CG-CE1 3.84Å; Q73-Y98 VanDerWaalsContact CG-OH 3.25Å; Q73-Y98 WeakPolarHBondContact CG-OH 3.22Å
74	K	97.9	Very high	98	Very high	113 Å²	113	29.7 Å²	29.7	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-111.9	-36.3	-175.5	-76.6	179.3	160.1	-174.8	0	113.6	Y52 E53 G54 L71 A72	Y52-K74 HydrophobicContact CD2-CB 4.28Å; Y52-K74 HydrophobicContact CE2-CB 3.52Å; Y52-K74 HydrophobicContact CE2-CD 4.38Å; E53-K74 CarbonylContact C-O 3.57Å; E53-K74 WeakPolarHBondContact CA-O 3.48Å; G54-K74 PolarHBondContact N-O 3.49Å; L71-K74 PolarHBondContact O-N 3.23Å; L71-K74 VanDerWaalsContact O-N 3.17Å; A72-K74 PolarHBondContact O-N 2.86Å
75	A	98.5	Very high	98	Very high	7 Å²	7	34.3 Å²	34.3	6%	0.058	18%	0.178	C	C	.	.			trans	-69	149.6	-175.6	0	0	0	0	0	112.2	Y52 V57 L71 V78 N100	Y52-A75 HydrophobicContact CD2-CB 4.13Å; Y52-A75 HydrophobicContact CE2-CB 4.37Å; V57-A75 HydrophobicContact CB-CB 4.35Å; V57-A75 HydrophobicContact CG2-CB 3.62Å; L71-A75 VanDerWaalsContact O-CB 3.23Å; L71-A75 WeakPolarHBondContact O-CB 3.5Å; L71-A75 PolarHBondContact O-N 3.13Å; A75-V78 HydrophobicContact CB-CG2 3.55Å; A75-N100 PolarHBondContact O-ND2 2.82Å
76	G	98.3	Very high	98	Very high	44 Å²	44	36.2 Å²	36.2	45%	0.454	19%	0.189	S	C	.	.	S	Bend	trans	-69.7	-38.7	169.3	0	0	0	0	0	111.5	K55 N100	K55-G76 PolarHBondContact O-N 3.28Å; G76-N100 WeakPolarHBondContact O-CB 3.35Å
77	E	98.4	Very high	98.1	Very high	99 Å²	99	35.3 Å²	35.3	46%	0.463	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.9	173.3	61.3	-179.9	-164.7	0	0	110.7	K55 S56 V57 N100	K55-E77 PolarHBondContact O-N 3.25Å; S56-E77 WeakPolarHBondContact CB-OE1 3.41Å; S56-E77 WeakPolarHBondContact OG-CG 3.37Å; S56-E77 PolarHBondContact OG-OE1 2.91Å; V57-E77 PolarHBondContact N-O 3.28Å; E77-N100 CarbonylContact C-O 3.58Å; E77-N100 WeakPolarHBondContact CA-O 3.26Å
78	V	98.8	Very high	98	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.5	175.9	-175.6	0	0	0	0	109.5	V57 L71 A72 A75 N100 I101 K102	V57-V78 HydrophobicContact CB-CG2 4.35Å; V57-V78 CarbonylContact O-C 3.43Å; V57-V78 WeakPolarHBondContact O-CA 3.48Å; L71-V78 HydrophobicContact CB-CG2 4.32Å; A72-V78 HydrophobicContact CB-CG2 4.23Å; A75-V78 HydrophobicContact CB-CG2 3.55Å; V78-N100 PolarHBondContact N-O 2.82Å; V78-I101 HydrophobicContact CB-CG1 4.37Å; V78-I101 HydrophobicContact CB-CG2 4.43Å; V78-I101 CarbonylContact O-C 3.47Å; V78-I101 WeakPolarHBondContact O-CA 3.27Å; V78-K102 PolarHBondContact O-N 2.9Å
79	I	98.7	Very high	98	Very high	27 Å²	27	40.1 Å²	40.1	14%	0.138	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.2	163.6	-58.5	174.2	0	0	0	107.2	V57 L58 E59 K102 M104 I115 I120	V57-I79 PolarHBondContact O-N 3.33Å; L58-I79 HydrophobicContact CD1-CB 3.69Å; L58-I79 HydrophobicContact CD1-CG2 3.63Å; E59-I79 PolarHBondContact N-O 3.36Å; I79-K102 CarbonylContact C-O 3.55Å; I79-K102 WeakPolarHBondContact CA-O 3.4Å; I79-K102 HydrophobicContact CG1-CB 4.47Å; I79-M104 HydrophobicContact CG2-CE 4.34Å; I79-I115 HydrophobicContact CD1-CD1 4.42Å; I79-I120 HydrophobicContact CD1-CD1 4.41Å
80	A	98.7	Very high	98	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.9	174.5	0	0	0	0	0	109.4	A62 T68 I88 I101 K102 F103 M104	A62-A80 HydrophobicContact CB-CB 3.99Å; T68-A80 HydrophobicContact CG2-CB 3.87Å; A80-I88 HydrophobicContact CB-CD1 4.19Å; A80-I88 WeakPolarHBondContact O-CD1 3.4Å; A80-I101 HydrophobicContact CB-CG2 4.24Å; A80-K102 PolarHBondContact N-O 2.65Å; A80-F103 HydrophobicContact CB-CD1 4.01Å; A80-F103 HydrophobicContact CB-CE1 4.27Å; A80-F103 CarbonylContact O-C 3.5Å; A80-F103 WeakPolarHBondContact O-CA 3.49Å; A80-M104 PolarHBondContact O-N 3.21Å
81	L	98.6	Very high	98	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.7	-174.9	-174.7	167.5	0	0	0	110.6	E59 L60 G61 A62 M104 A106 V108 L113	E59-L81 PolarHBondContact O-N 3.16Å; L60-L81 HydrophobicContact CD2-CB 4.16Å; L60-L81 HydrophobicContact CD2-CD1 3.79Å; L60-L81 HydrophobicContact CD2-CD2 4.45Å; L60-L81 HydrophobicContact CD2-CG 4.38Å; G61-L81 WeakPolarHBondContact CA-O 3.47Å; G61-L81 PolarHBondContact N-O 3.19Å; A62-L81 PolarHBondContact N-O 3.49Å; L81-M104 WeakPolarHBondContact CA-O 3.21Å; L81-M104 HydrophobicContact CB-CE 4.4Å; L81-M104 HydrophobicContact CD1-CE 3.32Å; L81-M104 HydrophobicContact CG-CE 3.93Å; L81-A106 HydrophobicContact CD1-CB 4.26Å; L81-A106 HydrophobicContact CD2-CB 4.47Å; L81-A106 WeakPolarHBondContact CD2-O 3.47Å; L81-A106 HydrophobicContact CG-CB 4.25Å; L81-V108 HydrophobicContact CD2-CG1 3.65Å; L81-L113 HydrophobicContact CD1-CD1 3.86Å; L81-L113 HydrophobicContact CD1-CD2 3.93Å
82	D	98.5	Very high	98	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.2	167.2	-156	-76.6	0	0	0	110.3	A62 G63 I84 I88 M104 C105 A106	A62-D82 PolarHBondContact N-OD2 3.04Å; G63-D82 VanDerWaalsContact CA-OD2 3.31Å; G63-D82 WeakPolarHBondContact CA-OD2 3.46Å; G63-D82 PolarHBondContact N-OD2 3.12Å; D82-I84 PolarHBondContact OD1-N 3.06Å; D82-I88 HydrophobicContact CB-CB 4.12Å; D82-I88 HydrophobicContact CB-CD1 4.15Å; D82-M104 PolarHBondContact N-O 3.02Å; D82-M104 VanDerWaalsContact N-O 3.16Å; D82-C105 CarbonylContact O-C 3.36Å; D82-C105 WeakPolarHBondContact O-CA 3.33Å; D82-A106 CarbonylContact C-O 3.58Å; D82-A106 PolarHBondContact O-N 3.16Å
83	F	97.3	Very high	98	Very high	35 Å²	35	48.4 Å²	48.4	15%	0.154	25%	0.252	C	S	.	.	S	Bend	trans	-91.7	-8.5	178.4	79.8	-32	0	0	0	113.9	K13 W16 A106 D107	K13-F83 HydrophobicContact CB-CE2 3.9Å; K13-F83 HydrophobicContact CG-CD2 4.47Å; K13-F83 HydrophobicContact CG-CE2 4.18Å; W16-F83 HydrophobicContact CB-CE1 3.6Å; W16-F83 HydrophobicContact CB-CZ 3.59Å; W16-F83 AromaticContact CD1-CE1 3.83Å; W16-F83 AromaticContact CD1-CZ 3.52Å; W16-F83 AromaticContact CG-CE1 3.74Å; W16-F83 HydrophobicContact CG-CE1 3.74Å; W16-F83 AromaticContact CG-CZ 3.75Å; W16-F83 HydrophobicContact CG-CZ 3.75Å; F83-A106 WeakPolarHBondContact CA-O 3.45Å; F83-A106 WeakPolarHBondContact CB-O 3.19Å; F83-A106 PolarHBondContact N-O 3.47Å; F83-D107 HydrophobicContact CB-CB 4.27Å
84	I	97	Very high	98	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	25%	0.247	C	C	.	.			trans	-96.1	109.2	172.3	-55.3	-53.7	0	0	0	109.4	K13 W16 M17 D82 S86 A87 I88	K13-I84 HydrophobicContact CG-CD1 4.45Å; W16-I84 HydrophobicContact CB-CD1 3.88Å; W16-I84 HydrophobicContact CB-CG1 3.97Å; M17-I84 HydrophobicContact CG-CD1 4Å; D82-I84 PolarHBondContact OD1-N 3.06Å; I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 WeakPolarHBondContact CG2-OG 3.21Å; I84-S86 PolarHBondContact O-N 2.83Å; I84-A87 HydrophobicContact CB-CB 3.94Å; I84-A87 HydrophobicContact CG2-CB 4Å; I84-A87 WeakPolarHBondContact O-CB 3.39Å; I84-A87 PolarHBondContact O-N 2.88Å; I84-I88 PolarHBondContact O-N 3.04Å; I84-I88 VanDerWaalsContact O-N 3.12Å
85	E	96.8	Very high	98	Very high	120 Å²	120	41.4 Å²	41.4	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-56.6	-43.6	-176.1	-176.2	174.1	-161.2	0	0	112.9	A87 I88 Q89	E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 2.94Å; E85-I88 WeakPolarHBondContact O-CG2 3.44Å; E85-I88 PolarHBondContact O-N 3.05Å; E85-Q89 HydrophobicContact CG-CG 4.36Å; E85-Q89 WeakPolarHBondContact O-CB 3.44Å; E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.2Å; E85-Q89 PolarHBondContact OE1-NE2 3.07Å
86	S	97	Very high	98	Very high	52 Å²	52	43 Å²	43	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-65.2	-32.7	178.5	54.5	0	0	0	0	113	I84 K90	I84-S86 VanDerWaalsContact C-N 3.34Å; I84-S86 WeakPolarHBondContact CG2-OG 3.21Å; I84-S86 PolarHBondContact O-N 2.83Å; S86-K90 WeakPolarHBondContact O-CB 3.42Å; S86-K90 PolarHBondContact O-N 2.88Å
87	A	97.1	Very high	97.9	Very high	1 Å²	1	47 Å²	47	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-70.7	-47.2	178.1	0	0	0	0	0	111	L23 G63 I64 I84 E85 Q89 K90 N91	L23-A87 HydrophobicContact CD2-CB 4.37Å; G63-A87 CarbonylContact O-C 3.39Å; I64-A87 HydrophobicContact CG2-CB 4.39Å; I84-A87 HydrophobicContact CB-CB 3.94Å; I84-A87 HydrophobicContact CG2-CB 4Å; I84-A87 WeakPolarHBondContact O-CB 3.39Å; I84-A87 PolarHBondContact O-N 2.88Å; E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 PolarHBondContact O-N 2.94Å; A87-Q89 PolarHBondContact O-N 2.91Å; A87-K90 WeakPolarHBondContact O-CB 3.41Å; A87-K90 PolarHBondContact O-N 2.83Å; A87-N91 PolarHBondContact O-N 3.48Å
88	I	97.9	Very high	97.9	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-34.4	178.8	-159.7	67.7	0	0	0	112.3	A62 A80 D82 I84 E85 K90 N91 E92 F103 C105	A62-I88 HydrophobicContact CB-CD1 4.3Å; A80-I88 HydrophobicContact CB-CD1 4.19Å; A80-I88 WeakPolarHBondContact O-CD1 3.4Å; D82-I88 HydrophobicContact CB-CB 4.12Å; D82-I88 HydrophobicContact CB-CD1 4.15Å; I84-I88 PolarHBondContact O-N 3.04Å; I84-I88 VanDerWaalsContact O-N 3.12Å; E85-I88 WeakPolarHBondContact O-CG2 3.44Å; E85-I88 PolarHBondContact O-N 3.05Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-N91 HydrophobicContact CD1-CB 4.36Å; I88-N91 WeakPolarHBondContact O-CB 3.31Å; I88-N91 PolarHBondContact O-N 2.97Å; I88-E92 PolarHBondContact O-N 3.37Å; I88-F103 HydrophobicContact CD1-CD1 4.08Å; I88-F103 HydrophobicContact CG1-CB 4.09Å; I88-F103 HydrophobicContact CG1-CD1 4.32Å; I88-C105 HydrophobicContact CG2-CB 3.98Å
89	Q	97.9	Very high	97.9	Very high	101 Å²	101	55.2 Å²	55.2	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-39.3	171.3	-75.1	174.2	-2.7	0	0	111.6	E85 A87 N91 E92 S93	E85-Q89 HydrophobicContact CG-CG 4.36Å; E85-Q89 WeakPolarHBondContact O-CB 3.44Å; E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.2Å; E85-Q89 PolarHBondContact OE1-NE2 3.07Å; A87-Q89 PolarHBondContact O-N 2.91Å; Q89-N91 VanDerWaalsContact C-N 3.35Å; Q89-E92 PolarHBondContact O-N 3.16Å; Q89-S93 PolarHBondContact O-N 3.41Å
90	K	97.9	Very high	97.9	Very high	83 Å²	83	56 Å²	56	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-44	173	178.4	62.4	-179.6	174.5	0	110.9	L23 I64 S86 A87 I88 S93 V94	L23-K90 HydrophobicContact CB-CG 4.33Å; L23-K90 HydrophobicContact CD1-CB 4.34Å; L23-K90 HydrophobicContact CD2-CB 4.39Å; I64-K90 HydrophobicContact CB-CB 4.34Å; I64-K90 HydrophobicContact CB-CG 3.82Å; I64-K90 HydrophobicContact CG2-CB 4.15Å; I64-K90 HydrophobicContact CG2-CG 3.89Å; S86-K90 WeakPolarHBondContact O-CB 3.42Å; S86-K90 PolarHBondContact O-N 2.88Å; A87-K90 WeakPolarHBondContact O-CB 3.41Å; A87-K90 PolarHBondContact O-N 2.83Å; I88-K90 VanDerWaalsContact C-N 3.33Å; K90-S93 PolarHBondContact O-N 2.79Å; K90-S93 PolarHBondContact O-OG 2.89Å; K90-V94 WeakPolarHBondContact O-CG2 3.42Å; K90-V94 PolarHBondContact O-N 3.2Å
91	N	98.3	Very high	97.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-48.5	175.6	-166.3	-17.5	0	0	0	111.5	G63 I64 G65 T68 A87 I88 Q89 S93 V94 N95 F103	G63-N91 WeakPolarHBondContact O-CB 3.38Å; G63-N91 PolarHBondContact O-ND2 3.01Å; I64-N91 WeakPolarHBondContact O-CA 3.37Å; G65-N91 VanDerWaalsContact CA-CG 3.41Å; G65-N91 WeakPolarHBondContact CA-ND2 3.35Å; G65-N91 WeakPolarHBondContact CA-OD1 3.42Å; G65-N91 PolarHBondContact N-ND2 3Å; T68-N91 PolarHBondContact OG1-ND2 2.95Å; A87-N91 PolarHBondContact O-N 3.48Å; I88-N91 HydrophobicContact CD1-CB 4.36Å; I88-N91 WeakPolarHBondContact O-CB 3.31Å; I88-N91 PolarHBondContact O-N 2.97Å; Q89-N91 VanDerWaalsContact C-N 3.35Å; N91-S93 VanDerWaalsContact C-N 3.3Å; N91-S93 PolarHBondContact O-N 2.93Å; N91-V94 PolarHBondContact O-N 3.33Å; N91-V94 VanDerWaalsContact O-N 3.07Å; N91-N95 PolarHBondContact O-N 3.4Å; N91-N95 PolarHBondContact OD1-ND2 3.41Å; N91-F103 HydrophobicContact CB-CD1 4.42Å; N91-F103 HydrophobicContact CB-CE1 4.22Å
92	E	98.5	Very high	97.9	Very high	104 Å²	104	63.1 Å²	63.1	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-39.6	175.8	-176	169.2	-154	0	0	112.2	I88 Q89 V94 G96 F103	I88-E92 PolarHBondContact O-N 3.37Å; Q89-E92 PolarHBondContact O-N 3.16Å; E92-V94 VanDerWaalsContact C-N 3.25Å; E92-V94 PolarHBondContact O-N 3.03Å; E92-G96 WeakPolarHBondContact O-CA 3.28Å; E92-G96 PolarHBondContact O-N 3.35Å; E92-F103 HydrophobicContact CB-CB 4.39Å; E92-F103 HydrophobicContact CB-CD1 3.95Å; E92-F103 HydrophobicContact CB-CD2 3.76Å; E92-F103 HydrophobicContact CB-CE1 4.17Å; E92-F103 HydrophobicContact CB-CE2 4Å; E92-F103 HydrophobicContact CB-CG 3.75Å; E92-F103 HydrophobicContact CB-CZ 4.2Å; E92-F103 HydrophobicContact CG-CD2 3.57Å; E92-F103 HydrophobicContact CG-CE2 3.81Å; E92-F103 HydrophobicContact CG-CG 4.05Å; E92-F103 HydrophobicContact CG-CZ 4.46Å
93	S	97.9	Very high	97.9	Very high	85 Å²	85	64.1 Å²	64.1	59%	0.594	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-29.2	176.5	79.4	0	0	0	0	113.7	Q89 K90 N91	Q89-S93 PolarHBondContact O-N 3.41Å; K90-S93 PolarHBondContact O-N 2.79Å; K90-S93 PolarHBondContact O-OG 2.89Å; N91-S93 VanDerWaalsContact C-N 3.3Å; N91-S93 PolarHBondContact O-N 2.93Å
94	V	97.6	Very high	97.9	Very high	69 Å²	69	64.4 Å²	64.4	42%	0.418	33%	0.326	S	S	.	.	H	α-helix	trans	-89.8	-46.4	-178.7	175.1	0	0	0	0	110.6	K90 N91 E92 H97	K90-V94 WeakPolarHBondContact O-CG2 3.42Å; K90-V94 PolarHBondContact O-N 3.2Å; N91-V94 PolarHBondContact O-N 3.33Å; N91-V94 VanDerWaalsContact O-N 3.07Å; E92-V94 VanDerWaalsContact C-N 3.25Å; E92-V94 PolarHBondContact O-N 3.03Å; V94-H97 PolarHBondContact O-CE1 2.84Å; V94-H97 PolarHBondContact O-ND1 2.81Å
95	N	98.4	Very high	97.9	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.059	35%	0.346	C	S	.	.	H	α-helix	trans	-106.1	-5.6	-168.8	-64.7	-52.8	0	0	0	114.1	T68 G69 N91 H97 Y98 I101 F103	T68-N95 HydrophobicContact CG2-CB 4.45Å; G69-N95 WeakPolarHBondContact CA-OD1 3.47Å; N91-N95 PolarHBondContact O-N 3.4Å; N91-N95 PolarHBondContact OD1-ND2 3.41Å; N95-H97 PolarHBondContact O-N 2.85Å; N95-Y98 HydrophobicContact CB-CD2 4.39Å; N95-Y98 WeakPolarHBondContact O-CB 3.31Å; N95-Y98 WeakPolarHBondContact O-CD2 3.33Å; N95-Y98 PolarHBondContact O-N 2.55Å; N95-I101 HydrophobicContact CB-CD1 3.88Å; N95-F103 HydrophobicContact CB-CZ 4.1Å
96	G	97.6	Very high	98	Very high	42 Å²	42	62.6 Å²	62.6	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-6.9	-178.1	0	0	0	0	0	115.4	E92	E92-G96 WeakPolarHBondContact O-CA 3.28Å; E92-G96 PolarHBondContact O-N 3.35Å
97	H	98	Very high	98	Very high	128 Å²	128	61.7 Å²	61.7	59%	0.593	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.9	169.4	64.7	-86.2	0	0	0	112.8	V94 N95	V94-H97 PolarHBondContact O-CE1 2.84Å; V94-H97 PolarHBondContact O-ND1 2.81Å; N95-H97 PolarHBondContact O-N 2.85Å
98	Y	98.2	Very high	98	Very high	60 Å²	60	62 Å²	62	24%	0.235	32%	0.32	C	S	.	.	S	Bend	trans	-79.4	116.2	169.5	-69.9	-72.2	0	0	0	110.6	A72 Q73 N95 N100 I101	A72-Y98 HydrophobicContact CB-CD1 4.17Å; A72-Y98 HydrophobicContact CB-CD2 4.06Å; A72-Y98 HydrophobicContact CB-CG 3.86Å; Q73-Y98 HydrophobicContact CG-CE1 3.84Å; Q73-Y98 VanDerWaalsContact CG-OH 3.25Å; Q73-Y98 WeakPolarHBondContact CG-OH 3.22Å; N95-Y98 HydrophobicContact CB-CD2 4.39Å; N95-Y98 WeakPolarHBondContact O-CB 3.31Å; N95-Y98 WeakPolarHBondContact O-CD2 3.33Å; N95-Y98 PolarHBondContact O-N 2.55Å; Y98-N100 PolarHBondContact O-N 2.91Å; Y98-I101 HydrophobicContact CD2-CD1 4.01Å; Y98-I101 HydrophobicContact CG-CD1 4.13Å; Y98-I101 PolarHBondContact O-N 3.07Å
99	K	97.8	Very high	97.9	Very high	212 Å²	212	63.5 Å²	63.5	92%	0.922	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.6	-175.7	-63.5	-178.3	180	177.4	0	114.4
100	N	98.5	Very high	97.8	Very high	43 Å²	43	60.2 Å²	60.2	23%	0.23	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.8	-178.3	62.4	-33	0	0	0	112.9	A72 A75 G76 E77 V78 Y98	A72-N100 PolarHBondContact O-ND2 3.37Å; A75-N100 PolarHBondContact O-ND2 2.82Å; G76-N100 WeakPolarHBondContact O-CB 3.35Å; E77-N100 CarbonylContact C-O 3.58Å; E77-N100 WeakPolarHBondContact CA-O 3.26Å; V78-N100 PolarHBondContact N-O 2.82Å; Y98-N100 PolarHBondContact O-N 2.91Å
101	I	98.6	Very high	97.5	Very high	22 Å²	22	61.8 Å²	61.8	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.7	177.5	-48	175.3	0	0	0	110.9	T68 A72 V78 A80 N95 Y98 F103	T68-I101 HydrophobicContact CG2-CD1 4.06Å; T68-I101 HydrophobicContact CG2-CG2 4.29Å; A72-I101 HydrophobicContact CB-CD1 3.51Å; A72-I101 HydrophobicContact CB-CG1 3.61Å; V78-I101 HydrophobicContact CB-CG1 4.37Å; V78-I101 HydrophobicContact CB-CG2 4.43Å; V78-I101 CarbonylContact O-C 3.47Å; V78-I101 WeakPolarHBondContact O-CA 3.27Å; A80-I101 HydrophobicContact CB-CG2 4.24Å; N95-I101 HydrophobicContact CB-CD1 3.88Å; Y98-I101 HydrophobicContact CD2-CD1 4.01Å; Y98-I101 HydrophobicContact CG-CD1 4.13Å; Y98-I101 PolarHBondContact O-N 3.07Å; I101-F103 HydrophobicContact CB-CE2 3.93Å; I101-F103 HydrophobicContact CB-CZ 3.92Å; I101-F103 HydrophobicContact CD1-CZ 4.05Å; I101-F103 HydrophobicContact CG2-CD1 4.18Å; I101-F103 HydrophobicContact CG2-CD2 4.14Å; I101-F103 HydrophobicContact CG2-CE1 3.71Å; I101-F103 HydrophobicContact CG2-CE2 3.65Å; I101-F103 HydrophobicContact CG2-CG 4.38Å; I101-F103 HydrophobicContact CG2-CZ 3.41Å; I101-F103 VanDerWaalsContact CG2-CZ 3.41Å
102	K	98.4	Very high	97.4	Very high	129 Å²	129	68 Å²	68	56%	0.561	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.5	165	179.7	-179.1	176.2	-175.5	0	109.5	V78 I79 A80	V78-K102 PolarHBondContact O-N 2.9Å; I79-K102 CarbonylContact C-O 3.55Å; I79-K102 WeakPolarHBondContact CA-O 3.4Å; I79-K102 HydrophobicContact CG1-CB 4.47Å; A80-K102 PolarHBondContact N-O 2.65Å
103	F	98.6	Very high	97.2	Very high	35 Å²	35	63.6 Å²	63.6	15%	0.154	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	139.2	176	-58.7	-84.8	0	0	0	110.8	T68 A80 I88 N91 E92 N95 I101	T68-F103 HydrophobicContact CG2-CE1 4.32Å; A80-F103 HydrophobicContact CB-CD1 4.01Å; A80-F103 HydrophobicContact CB-CE1 4.27Å; A80-F103 CarbonylContact O-C 3.5Å; A80-F103 WeakPolarHBondContact O-CA 3.49Å; I88-F103 HydrophobicContact CD1-CD1 4.08Å; I88-F103 HydrophobicContact CG1-CB 4.09Å; I88-F103 HydrophobicContact CG1-CD1 4.32Å; N91-F103 HydrophobicContact CB-CD1 4.42Å; N91-F103 HydrophobicContact CB-CE1 4.22Å; E92-F103 HydrophobicContact CB-CB 4.39Å; E92-F103 HydrophobicContact CB-CD1 3.95Å; E92-F103 HydrophobicContact CB-CD2 3.76Å; E92-F103 HydrophobicContact CB-CE1 4.17Å; E92-F103 HydrophobicContact CB-CE2 4Å; E92-F103 HydrophobicContact CB-CG 3.75Å; E92-F103 HydrophobicContact CB-CZ 4.2Å; E92-F103 HydrophobicContact CG-CD2 3.57Å; E92-F103 HydrophobicContact CG-CE2 3.81Å; E92-F103 HydrophobicContact CG-CG 4.05Å; E92-F103 HydrophobicContact CG-CZ 4.46Å; N95-F103 HydrophobicContact CB-CZ 4.1Å; I101-F103 HydrophobicContact CB-CE2 3.93Å; I101-F103 HydrophobicContact CB-CZ 3.92Å; I101-F103 HydrophobicContact CD1-CZ 4.05Å; I101-F103 HydrophobicContact CG2-CD1 4.18Å; I101-F103 HydrophobicContact CG2-CD2 4.14Å; I101-F103 HydrophobicContact CG2-CE1 3.71Å; I101-F103 HydrophobicContact CG2-CE2 3.65Å; I101-F103 HydrophobicContact CG2-CG 4.38Å; I101-F103 HydrophobicContact CG2-CZ 3.41Å; I101-F103 VanDerWaalsContact CG2-CZ 3.41Å
104	M	98	Very high	97.1	Very high	41 Å²	41	68.4 Å²	68.4	20%	0.202	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	124	-179.1	-169.3	165	64.8	0	0	111.8	I79 A80 L81 D82 A106 L113 I115	I79-M104 HydrophobicContact CG2-CE 4.34Å; A80-M104 PolarHBondContact O-N 3.21Å; L81-M104 WeakPolarHBondContact CA-O 3.21Å; L81-M104 HydrophobicContact CB-CE 4.4Å; L81-M104 HydrophobicContact CD1-CE 3.32Å; L81-M104 HydrophobicContact CG-CE 3.93Å; D82-M104 PolarHBondContact N-O 3.02Å; D82-M104 VanDerWaalsContact N-O 3.16Å; M104-A106 HydrophobicContact CE-CB 4.38Å; M104-A106 HydrophobicContact CG-CB 4.18Å; M104-L113 HydrophobicContact CE-CD1 3.37Å; M104-L113 HydrophobicContact SD-CD1 4.28Å; M104-I115 HydrophobicContact CE-CD1 4.15Å
105	C	98	Very high	97.1	Very high	69 Å²	69	66.2 Å²	66.2	47%	0.466	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.2	169	-172.2	0	0	0	0	109.6	D82 I88	D82-C105 CarbonylContact O-C 3.36Å; D82-C105 WeakPolarHBondContact O-CA 3.33Å; I88-C105 HydrophobicContact CG2-CB 3.98Å
106	A	97.5	Very high	97	Very high	21 Å²	21	73.5 Å²	73.5	17%	0.174	38%	0.377	C	S	.	.			trans	-154.3	150.1	179.5	0	0	0	0	0	111.7	L81 D82 F83 M104 L113	L81-A106 HydrophobicContact CD1-CB 4.26Å; L81-A106 HydrophobicContact CD2-CB 4.47Å; L81-A106 WeakPolarHBondContact CD2-O 3.47Å; L81-A106 HydrophobicContact CG-CB 4.25Å; D82-A106 CarbonylContact C-O 3.58Å; D82-A106 PolarHBondContact O-N 3.16Å; F83-A106 WeakPolarHBondContact CA-O 3.45Å; F83-A106 WeakPolarHBondContact CB-O 3.19Å; F83-A106 PolarHBondContact N-O 3.47Å; M104-A106 HydrophobicContact CE-CB 4.38Å; M104-A106 HydrophobicContact CG-CB 4.18Å; A106-L113 HydrophobicContact CB-CD1 4.11Å
107	D	97.1	Very high	96.8	Very high	32 Å²	32	76.7 Å²	76.7	17%	0.171	38%	0.384	C	S	.	.			trans	-83.2	129.3	166.3	-168	-43.5	0	0	0	109.2	R9 F83 T109 S110	R9-D107 WeakPolarHBondContact CD-OD2 3.45Å; R9-D107 IonicContact NH1-OD1 3.7Å; R9-D107 PolarHBondContact NH1-OD1 2.94Å; R9-D107 IonicContact NH1-OD2 3.26Å; R9-D107 PolarHBondContact NH1-OD2 2.9Å; F83-D107 HydrophobicContact CB-CB 4.27Å; D107-T109 PolarHBondContact O-N 3.12Å; D107-T109 WeakPolarHBondContact OD1-CB 3.35Å; D107-T109 PolarHBondContact OD1-N 2.77Å; D107-T109 PolarHBondContact OD1-OG1 3.32Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 2.87Å
108	V	97.6	Very high	96.8	Very high	7 Å²	7	72.1 Å²	72.1	4%	0.042	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.4	-179.7	-60.4	0	0	0	0	113	L60 L81 S110 L128 L132 M140 R143	L60-V108 HydrophobicContact CB-CG1 4.28Å; L60-V108 HydrophobicContact CD2-CG1 4.09Å; L81-V108 HydrophobicContact CD2-CG1 3.65Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-L128 HydrophobicContact CG1-CD1 4.4Å; V108-L128 HydrophobicContact CG1-CD2 4.36Å; V108-L128 HydrophobicContact CG2-CD1 4.18Å; V108-L132 HydrophobicContact CG2-CD1 4.03Å; V108-L132 HydrophobicContact CG2-CD2 4.19Å; V108-M140 HydrophobicContact CB-CE 4.39Å; V108-M140 HydrophobicContact CB-SD 3.96Å; V108-M140 HydrophobicContact CG2-SD 4.31Å; V108-R143 PolarHBondContact O-NH1 3.36Å
109	T	96.4	Very high	96.7	Very high	40 Å²	40	70.7 Å²	70.7	25%	0.245	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.3	177.5	66.7	0	0	0	0	113	R9 D107 L132 E136	R9-T109 VanDerWaalsContact CD-OG1 3.24Å; R9-T109 WeakPolarHBondContact CD-OG1 3.38Å; D107-T109 PolarHBondContact O-N 3.12Å; D107-T109 WeakPolarHBondContact OD1-CB 3.35Å; D107-T109 PolarHBondContact OD1-N 2.77Å; D107-T109 PolarHBondContact OD1-OG1 3.32Å; T109-L132 HydrophobicContact CG2-CD1 4.24Å; T109-L132 HydrophobicContact CG2-CD2 3.83Å; T109-L132 HydrophobicContact CG2-CG 3.7Å; T109-E136 HydrophobicContact CG2-CB 4.03Å; T109-E136 HydrophobicContact CG2-CG 4Å
110	S	95.4	Very high	96.8	Very high	31 Å²	31	60.7 Å²	60.7	22%	0.217	33%	0.327	C	S	.	.			trans	-63	130.5	-175.3	178.3	0	0	0	0	111.1	D107 V108 D112 L113 R143	D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 2.87Å; V108-S110 VanDerWaalsContact C-N 3.31Å; S110-D112 PolarHBondContact O-N 2.86Å; S110-D112 PolarHBondContact OG-N 3.31Å; S110-D112 VanDerWaalsContact OG-N 3.14Å; S110-L113 WeakPolarHBondContact O-CB 3.32Å; S110-L113 PolarHBondContact O-N 3.17Å; S110-R143 PolarHBondContact O-NH1 3.36Å
111	P	92.2	Very high	96.8	Very high	117 Å²	117	60 Å²	60	76%	0.76	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.3	171.9	28.4	-34.7	0	0	0	112.1
112	D	94.2	Very high	96.8	Very high	129 Å²	129	59.1 Å²	59.1	69%	0.69	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.4	179.6	-62.1	-50.4	0	0	0	113.4	S110 K114	S110-D112 PolarHBondContact O-N 2.86Å; S110-D112 PolarHBondContact OG-N 3.31Å; S110-D112 VanDerWaalsContact OG-N 3.14Å; D112-K114 PolarHBondContact O-N 3.2Å
113	L	95.9	Very high	96.8	Very high	12 Å²	12	53 Å²	53	6%	0.063	29%	0.292	C	S	.	.			trans	-65	119.1	174.6	174.2	59.2	0	0	0	109.2	L81 M104 A106 S110 I115 R143 W147	L81-L113 HydrophobicContact CD1-CD1 3.86Å; L81-L113 HydrophobicContact CD1-CD2 3.93Å; M104-L113 HydrophobicContact CE-CD1 3.37Å; M104-L113 HydrophobicContact SD-CD1 4.28Å; A106-L113 HydrophobicContact CB-CD1 4.11Å; S110-L113 WeakPolarHBondContact O-CB 3.32Å; S110-L113 PolarHBondContact O-N 3.17Å; L113-I115 HydrophobicContact CD1-CD1 4.43Å; L113-I115 HydrophobicContact CD1-CG1 4.36Å; L113-I115 HydrophobicContact CG-CG1 4.46Å; L113-R143 PolarHBondContact O-NH2 2.84Å; L113-W147 HydrophobicContact CD2-CH2 3.78Å; L113-W147 HydrophobicContact CD2-CZ2 4.42Å; L113-W147 HydrophobicContact CG-CH2 4.31Å
114	K	94.8	Very high	96.8	Very high	187 Å²	187	51.4 Å²	51.4	81%	0.813	29%	0.285	S	S	*	.			trans	-113.8	102.2	-178.6	-68.1	179	-174.1	-179.6	0	110.7	D112	D112-K114 PolarHBondContact O-N 3.2Å
115	I	97	Very high	96.8	Very high	22 Å²	22	49.5 Å²	49.5	11%	0.113	28%	0.276	C	S	.	.			trans	-111	138.4	163.3	-54.7	-61.7	0	0	0	106.8	L58 I79 M104 L113 I120 W147	L58-I115 HydrophobicContact CD1-CD1 4.29Å; L58-I115 HydrophobicContact CD2-CD1 4.42Å; L58-I115 HydrophobicContact CD2-CG1 4.12Å; L58-I115 HydrophobicContact CD2-CG2 4.27Å; I79-I115 HydrophobicContact CD1-CD1 4.42Å; M104-I115 HydrophobicContact CE-CD1 4.15Å; L113-I115 HydrophobicContact CD1-CD1 4.43Å; L113-I115 HydrophobicContact CD1-CG1 4.36Å; L113-I115 HydrophobicContact CG-CG1 4.46Å; I115-I120 HydrophobicContact CG2-CD1 4.33Å; I115-I120 HydrophobicContact CG2-CG1 3.93Å; I115-W147 HydrophobicContact CB-CD2 3.71Å; I115-W147 HydrophobicContact CB-CE3 4.23Å; I115-W147 HydrophobicContact CB-CG 3.94Å; I115-W147 HydrophobicContact CB-CH2 4.47Å; I115-W147 HydrophobicContact CB-CZ2 3.95Å; I115-W147 HydrophobicContact CG1-CD2 4.21Å; I115-W147 HydrophobicContact CG1-CE3 4.26Å; I115-W147 HydrophobicContact CG1-CH2 4.05Å; I115-W147 HydrophobicContact CG1-CZ2 3.96Å; I115-W147 HydrophobicContact CG1-CZ3 4.19Å; I115-W147 HydrophobicContact CG2-CB 4.04Å; I115-W147 HydrophobicContact CG2-CD2 3.86Å; I115-W147 HydrophobicContact CG2-CE3 4.3Å; I115-W147 HydrophobicContact CG2-CG 3.72Å; I115-W147 PolarHBondContact O-NE1 3.35Å
116	K	96.2	Very high	96.9	Very high	164 Å²	164	46.9 Å²	46.9	71%	0.713	26%	0.257	S	S	*	.			trans	-75.9	133.8	-176.9	-180	-176.6	174.1	-173.9	0	109.6	S119	K116-S119 WeakPolarHBondContact O-CB 3.38Å; K116-S119 PolarHBondContact O-N 3.45Å; K116-S119 PolarHBondContact O-OG 3.24Å
117	D	95.4	Very high	96.9	Very high	109 Å²	109	47.4 Å²	47.4	58%	0.583	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	140	174.5	-69.7	-11.2	0	0	0	111.7	S119 G146	D117-S119 PolarHBondContact O-N 3.36Å; D117-G146 CarbonylContact C-O 3.58Å; D117-G146 WeakPolarHBondContact CA-O 3.47Å; D117-G146 WeakPolarHBondContact CB-O 3.26Å
118	G	95.9	Very high	97	Very high	33 Å²	33	46.7 Å²	46.7	34%	0.34	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	29.8	-177.7	0	0	0	0	0	114.4	G146 W147 K149	G118-G146 PolarHBondContact N-O 3.05Å; G118-W147 CarbonylContact C-O 3.55Å; G118-W147 WeakPolarHBondContact CA-O 3.32Å; G118-W147 PolarHBondContact N-O 3.47Å; G118-K149 WeakPolarHBondContact O-CG 3.23Å
119	S	97.5	Very high	97	Very high	30 Å²	30	46.3 Å²	46.3	21%	0.21	25%	0.249	C	C	.	.			trans	-101	-24.5	177.1	76	0	0	0	0	114	S56 K116 D117 W147 K149	S56-S119 PolarHBondContact OG-O 3.07Å; K116-S119 WeakPolarHBondContact O-CB 3.38Å; K116-S119 PolarHBondContact O-N 3.45Å; K116-S119 PolarHBondContact O-OG 3.24Å; D117-S119 PolarHBondContact O-N 3.36Å; S119-W147 PolarHBondContact N-O 3.21Å; S119-K149 WeakPolarHBondContact O-CE 3.25Å
120	I	98.6	Very high	97.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.2	-171.9	-55	-56	0	0	0	110.4	S56 L58 I79 I115 L122 I123 W147 V148 K149	S56-I120 WeakPolarHBondContact OG-CD1 3.47Å; L58-I120 HydrophobicContact CB-CD1 4.15Å; L58-I120 HydrophobicContact CB-CG1 4.17Å; L58-I120 HydrophobicContact CB-CG2 3.86Å; L58-I120 HydrophobicContact CD2-CG1 4.43Å; I79-I120 HydrophobicContact CD1-CD1 4.41Å; I115-I120 HydrophobicContact CG2-CD1 4.33Å; I115-I120 HydrophobicContact CG2-CG1 3.93Å; I120-L122 VanDerWaalsContact CG2-C 3.44Å; I120-L122 WeakPolarHBondContact CG2-O 3.21Å; I120-I123 HydrophobicContact CB-CG1 4.41Å; I120-I123 HydrophobicContact CG2-CG1 3.77Å; I120-W147 PolarHBondContact N-O 3.28Å; I120-V148 CarbonylContact O-C 3.52Å; I120-V148 VanDerWaalsContact O-CA 3.3Å; I120-V148 WeakPolarHBondContact O-CA 3.45Å; I120-K149 PolarHBondContact O-N 2.76Å
121	D	98.7	Very high	97.2	Very high	30 Å²	30	44 Å²	44	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-30.9	174.2	-61.7	-78.4	0	0	0	112.3	K55 S56 K149 G152 Y153	K55-D121 HydrophobicContact CB-CB 3.57Å; K55-D121 HydrophobicContact CD-CB 3.7Å; K55-D121 HydrophobicContact CG-CB 4.23Å; S56-D121 WeakPolarHBondContact CB-OD2 3.28Å; S56-D121 PolarHBondContact N-OD2 2.8Å; S56-D121 WeakPolarHBondContact O-CA 3.31Å; S56-D121 WeakPolarHBondContact O-CB 3.47Å; S56-D121 PolarHBondContact O-N 2.95Å; D121-K149 VanDerWaalsContact OD1-CD 3.32Å; D121-K149 WeakPolarHBondContact OD1-CD 3.49Å; D121-K149 IonicContact OD1-NZ 3.28Å; D121-K149 PolarHBondContact OD1-NZ 3.14Å; D121-K149 IonicContact OD2-NZ 3.43Å; D121-K149 PolarHBondContact OD2-NZ 2.84Å; D121-G152 CarbonylContact O-C 3.42Å; D121-G152 WeakPolarHBondContact O-CA 2.84Å; D121-Y153 PolarHBondContact O-N 3.14Å
122	L	98.8	Very high	97.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.1	176	171.5	68.2	0	0	0	110.7	I49 Y52 S56 V57 L58 I120 F124 Y153 F155	I49-L122 HydrophobicContact CG2-CD1 4.15Å; I49-L122 HydrophobicContact CG2-CD2 3.3Å; I49-L122 HydrophobicContact CG2-CG 4.37Å; Y52-L122 HydrophobicContact CD1-CD2 4Å; Y52-L122 HydrophobicContact CG-CD2 3.86Å; S56-L122 PolarHBondContact O-N 2.83Å; V57-L122 CarbonylContact C-O 3.51Å; V57-L122 VanDerWaalsContact CA-O 3.31Å; V57-L122 WeakPolarHBondContact CA-O 3.48Å; V57-L122 HydrophobicContact CG1-CD2 4.05Å; V57-L122 HydrophobicContact CG1-CG 4.31Å; V57-L122 HydrophobicContact CG2-CB 4.26Å; V57-L122 HydrophobicContact CG2-CD2 4.21Å; L58-L122 PolarHBondContact N-O 2.81Å; I120-L122 VanDerWaalsContact CG2-C 3.44Å; I120-L122 WeakPolarHBondContact CG2-O 3.21Å; L122-F124 HydrophobicContact CD2-CB 4.48Å; L122-F124 HydrophobicContact CG-CB 4.4Å; L122-Y153 CarbonylContact C-O 3.52Å; L122-Y153 WeakPolarHBondContact CA-O 3.21Å; L122-F155 HydrophobicContact CD1-CB 4.35Å
123	I	98.8	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.9	163	-58.7	175.7	0	0	0	107.5	L58 L60 I120 M144 W147 V148 Y153 I154 F155	L58-I123 HydrophobicContact CB-CG1 4.37Å; L58-I123 HydrophobicContact CD2-CG1 4.41Å; L58-I123 CarbonylContact O-C 3.54Å; L58-I123 WeakPolarHBondContact O-CA 3.39Å; L60-I123 HydrophobicContact CD1-CG2 3.7Å; L60-I123 HydrophobicContact CG-CG2 4.24Å; I120-I123 HydrophobicContact CB-CG1 4.41Å; I120-I123 HydrophobicContact CG2-CG1 3.77Å; I123-M144 HydrophobicContact CD1-CB 3.77Å; I123-M144 HydrophobicContact CD1-CG 3.98Å; I123-M144 WeakPolarHBondContact CD1-O 3.14Å; I123-M144 HydrophobicContact CG2-CE 4.16Å; I123-M144 HydrophobicContact CG2-CG 4.34Å; I123-M144 HydrophobicContact CG2-SD 4.46Å; I123-W147 HydrophobicContact CD1-CB 4.09Å; I123-W147 HydrophobicContact CD1-CE3 4.16Å; I123-V148 HydrophobicContact CD1-CB 4.36Å; I123-Y153 PolarHBondContact N-O 3Å; I123-I154 HydrophobicContact CB-CG1 4.3Å; I123-I154 HydrophobicContact CB-CG2 4.38Å; I123-I154 HydrophobicContact CD1-CG1 4.31Å; I123-I154 CarbonylContact O-C 3.58Å; I123-I154 WeakPolarHBondContact O-CA 3.35Å; I123-F155 PolarHBondContact O-N 3.45Å
124	F	98.8	Very high	97.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.2	-178.2	171.2	-100.2	0	0	0	110.4	V45 I49 L58 E59 L60 F67 L71 L122 N126 F155	V45-F124 HydrophobicContact CG1-CE2 3.81Å; V45-F124 HydrophobicContact CG1-CZ 3.94Å; I49-F124 HydrophobicContact CD1-CD2 3.75Å; I49-F124 HydrophobicContact CD1-CE2 3.65Å; I49-F124 HydrophobicContact CD1-CG 4.47Å; I49-F124 HydrophobicContact CD1-CZ 4.3Å; I49-F124 HydrophobicContact CG1-CD2 4.18Å; I49-F124 HydrophobicContact CG1-CE2 4.12Å; L58-F124 PolarHBondContact O-N 2.9Å; E59-F124 CarbonylContact C-O 3.41Å; E59-F124 WeakPolarHBondContact CA-O 3.26Å; E59-F124 HydrophobicContact CB-CD1 4.46Å; E59-F124 HydrophobicContact CG-CD1 4Å; E59-F124 HydrophobicContact CG-CE1 4.49Å; L60-F124 PolarHBondContact N-O 3.32Å; F67-F124 HydrophobicContact CB-CE1 3.75Å; F67-F124 HydrophobicContact CB-CZ 4.19Å; F67-F124 HydrophobicContact CD1-CE1 4.49Å; F67-F124 HydrophobicContact CD1-CZ 4.08Å; F67-F124 AromaticContact CD2-CE1 3.74Å; F67-F124 HydrophobicContact CD2-CE1 3.74Å; F67-F124 AromaticContact CD2-CZ 3.77Å; F67-F124 HydrophobicContact CD2-CZ 3.77Å; F67-F124 HydrophobicContact CE1-CZ 4.39Å; F67-F124 HydrophobicContact CE2-CE1 4.46Å; F67-F124 HydrophobicContact CE2-CZ 4.11Å; F67-F124 AromaticContact CG-CE1 3.76Å; F67-F124 HydrophobicContact CG-CE1 3.76Å; F67-F124 AromaticContact CG-CZ 3.75Å; F67-F124 HydrophobicContact CG-CZ 3.75Å; F67-F124 HydrophobicContact CZ-CZ 4.41Å; L71-F124 HydrophobicContact CD1-CD1 3.8Å; L71-F124 HydrophobicContact CD1-CE1 4.21Å; L71-F124 HydrophobicContact CD1-CG 4.47Å; L122-F124 HydrophobicContact CD2-CB 4.48Å; L122-F124 HydrophobicContact CG-CB 4.4Å; F124-N126 HydrophobicContact CZ-CB 4.02Å; F124-F155 WeakPolarHBondContact CA-O 3.1Å; F124-F155 HydrophobicContact CD2-CB 4.13Å; F124-F155 AromaticContact CD2-CD1 3.38Å; F124-F155 HydrophobicContact CD2-CD1 3.38Å; F124-F155 HydrophobicContact CD2-CE1 4.03Å; F124-F155 AromaticContact CD2-CG 3.92Å; F124-F155 HydrophobicContact CD2-CG 3.92Å; F124-F155 AromaticContact CE2-CD1 3.5Å; F124-F155 HydrophobicContact CE2-CD1 3.5Å; F124-F155 VanDerWaalsContact CE2-CD1 3.5Å; F124-F155 AromaticContact CE2-CE1 3.63Å; F124-F155 HydrophobicContact CE2-CE1 3.63Å; F124-F155 HydrophobicContact CE2-CG 4.31Å
125	S	98.7	Very high	97.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.2	168	63.7	0	0	0	0	111.3	L60 F155 F156 R157	L60-S125 WeakPolarHBondContact O-CB 3.47Å; S125-F155 PolarHBondContact N-O 3.29Å; S125-F156 VanDerWaalsContact O-CA 3.27Å; S125-F156 WeakPolarHBondContact O-CA 3.36Å; S125-F156 VanDerWaalsContact OG-CB 3.29Å; S125-F156 WeakPolarHBondContact OG-CB 3.29Å; S125-R157 PolarHBondContact O-N 3.02Å
126	N	98.4	Very high	97.8	Very high	14 Å²	14	31 Å²	31	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	98.5	176.3	179	92.2	0	0	0	109.3	R66 F67 F124 R157	R66-N126 PolarHBondContact NH2-ND2 3.45Å; F67-N126 HydrophobicContact CE2-CB 3.91Å; F124-N126 HydrophobicContact CZ-CB 4.02Å; N126-R157 VanDerWaalsContact OD1-CD 3.29Å; N126-R157 WeakPolarHBondContact OD1-CD 3.09Å; N126-R157 PolarHBondContact OD1-NH1 3.42Å
127	W	98.2	Very high	97.9	Very high	32 Å²	32	23.2 Å²	23.2	12%	0.121	13%	0.128	C	C	.	.	S	Bend	trans	69.8	84.9	-164.8	-54.8	-58.8	0	0	0	113.9	M29 R66 M130 Y131 R157 S159 Y212	M29-W127 HydrophobicContact CE-CH2 4.19Å; M29-W127 HydrophobicContact SD-CH2 3.58Å; M29-W127 VanDerWaalsContact SD-CH2 3.58Å; M29-W127 HydrophobicContact SD-CZ3 3.54Å; M29-W127 VanDerWaalsContact SD-CZ3 3.54Å; R66-W127 VanDerWaalsContact NH2-CZ3 3.29Å; W127-M130 HydrophobicContact CB-SD 3.84Å; W127-M130 HydrophobicContact CG-SD 3.98Å; W127-Y131 HydrophobicContact CB-CE2 4.14Å; W127-R157 WeakPolarHBondContact CA-O 3.33Å; W127-R157 PolarHBondContact N-O 3.25Å; W127-S159 PolarHBondContact NE1-OG 3.21Å; W127-Y212 HydrophobicContact CH2-CE2 4.49Å; W127-Y212 WeakPolarHBondContact CH2-OH 3.3Å; W127-Y212 HydrophobicContact CZ2-CE2 4.29Å; W127-Y212 AromaticContact CZ2-CZ 3.86Å; W127-Y212 VanDerWaalsContact CZ2-OH 3.27Å; W127-Y212 WeakPolarHBondContact CZ2-OH 3.37Å
128	L	98.6	Very high	98	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.084	12%	0.116	C	C	.	.			trans	-136.2	-54.6	178.3	177.5	66.6	0	0	0	112.1	L60 V108 M130 Y131 E158	L60-L128 HydrophobicContact CB-CD2 3.56Å; L60-L128 HydrophobicContact CD1-CD2 4.15Å; V108-L128 HydrophobicContact CG1-CD1 4.4Å; V108-L128 HydrophobicContact CG1-CD2 4.36Å; V108-L128 HydrophobicContact CG2-CD1 4.18Å; L128-M130 PolarHBondContact O-N 3.21Å; L128-Y131 WeakPolarHBondContact O-CD2 3.47Å; L128-Y131 PolarHBondContact O-N 3.15Å; L128-E158 PolarHBondContact N-OE1 3.4Å; L128-E158 VanDerWaalsContact N-OE1 3.11Å; L128-E158 PolarHBondContact N-OE2 3.13Å; L128-E158 VanDerWaalsContact N-OE2 3.09Å
129	L	98.5	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-67.3	-23.9	-170.5	-55.8	-179.9	0	0	0	112.3	Y131 L132 V137 M140 M144 F156 E158 R177 Y182 F186	L129-Y131 PolarHBondContact O-N 2.95Å; L129-L132 PolarHBondContact O-N 2.89Å; L129-V137 HydrophobicContact CB-CG1 4.47Å; L129-V137 HydrophobicContact CB-CG2 4.12Å; L129-V137 HydrophobicContact CD1-CG1 4.26Å; L129-V137 HydrophobicContact CD2-CG1 4.41Å; L129-M140 HydrophobicContact CD2-CG 4.36Å; L129-M144 HydrophobicContact CD2-CE 4.45Å; L129-F156 HydrophobicContact CD1-CB 4.39Å; L129-F156 HydrophobicContact CD1-CD1 4.25Å; L129-F156 HydrophobicContact CD1-CD2 3.71Å; L129-F156 HydrophobicContact CD1-CE1 4.44Å; L129-F156 HydrophobicContact CD1-CE2 3.93Å; L129-F156 HydrophobicContact CD1-CG 3.88Å; L129-F156 HydrophobicContact CD1-CZ 4.3Å; L129-E158 HydrophobicContact CB-CG 4.15Å; L129-E158 WeakPolarHBondContact CB-OE1 3.46Å; L129-E158 WeakPolarHBondContact CG-OE1 3.5Å; L129-E158 VanDerWaalsContact N-CD 3.32Å; L129-E158 PolarHBondContact N-OE1 3.22Å; L129-E158 PolarHBondContact N-OE2 3.35Å; L129-R177 PolarHBondContact O-NH1 3.18Å; L129-Y182 HydrophobicContact CB-CD1 4.31Å; L129-Y182 HydrophobicContact CB-CE1 3.68Å; L129-Y182 HydrophobicContact CD1-CD1 3.98Å; L129-Y182 HydrophobicContact CD1-CE1 4.2Å; L129-F186 HydrophobicContact CD1-CE2 3.61Å; L129-F186 HydrophobicContact CD1-CZ 3.77Å
130	M	98.4	Very high	97.9	Very high	4 Å²	4	22 Å²	22	2%	0.02	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-64.8	-11.1	170.9	64.7	-166.4	-76.9	0	0	114.2	W127 L128 E158 T174 H175 Y176	W127-M130 HydrophobicContact CB-SD 3.84Å; W127-M130 HydrophobicContact CG-SD 3.98Å; L128-M130 PolarHBondContact O-N 3.21Å; M130-E158 VanDerWaalsContact CG-OE2 3.25Å; M130-E158 WeakPolarHBondContact CG-OE2 3.25Å; M130-E158 PolarHBondContact N-OE2 2.94Å; M130-T174 HydrophobicContact CB-CG2 3.99Å; M130-T174 HydrophobicContact CE-CG2 3.15Å; M130-T174 HydrophobicContact CG-CG2 4.14Å; M130-T174 HydrophobicContact SD-CG2 4.49Å; M130-H175 PolarHBondContact O-N 3.49Å; M130-Y176 HydrophobicContact CE-CD1 4.39Å; M130-Y176 HydrophobicContact CE-CE1 3.8Å
131	Y	98.3	Very high	97.9	Very high	17 Å²	17	22 Å²	22	7%	0.067	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-107.9	14.3	175.6	-50.7	-69.9	0	0	0	113.2	R9 Q12 Y15 W16 W127 L128 L129 T174	R9-Y131 PolarHBondContact NH2-O 2.99Å; Q12-Y131 VanDerWaalsContact CG-O 3.28Å; Q12-Y131 WeakPolarHBondContact CG-O 3.28Å; Y15-Y131 HydrophobicContact CD1-CE1 4.29Å; Y15-Y131 AromaticContact CE1-CE1 3.94Å; Y15-Y131 HydrophobicContact CE1-CE1 3.94Å; W16-Y131 AromaticContact CE2-CE1 3.95Å; W16-Y131 AromaticContact CE2-CE2 3.83Å; W16-Y131 AromaticContact CE2-CZ 3.75Å; W16-Y131 HydrophobicContact CH2-CE2 4.48Å; W16-Y131 AromaticContact CZ2-CD2 3.98Å; W16-Y131 HydrophobicContact CZ2-CD2 3.98Å; W16-Y131 AromaticContact CZ2-CE1 3.95Å; W16-Y131 HydrophobicContact CZ2-CE1 3.95Å; W16-Y131 AromaticContact CZ2-CE2 3.33Å; W16-Y131 HydrophobicContact CZ2-CE2 3.33Å; W16-Y131 AromaticContact CZ2-CZ 3.28Å; W16-Y131 WeakPolarHBondContact CZ2-OH 3.21Å; W16-Y131 AromaticContact NE1-CD1 3.35Å; W16-Y131 VanDerWaalsContact NE1-CD1 3.35Å; W16-Y131 AromaticContact NE1-CD2 3.51Å; W16-Y131 AromaticContact NE1-CE1 3.55Å; W16-Y131 AromaticContact NE1-CE2 3.72Å; W16-Y131 AromaticContact NE1-CG 3.32Å; W16-Y131 VanDerWaalsContact NE1-CG 3.32Å; W16-Y131 AromaticContact NE1-CZ 3.72Å; W127-Y131 HydrophobicContact CB-CE2 4.14Å; L128-Y131 WeakPolarHBondContact O-CD2 3.47Å; L128-Y131 PolarHBondContact O-N 3.15Å; L129-Y131 PolarHBondContact O-N 2.95Å; Y131-T174 HydrophobicContact CE1-CG2 4.16Å
132	L	98.2	Very high	97.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.125	C	C	.	.	S	Bend	trans	-115.1	147.5	172.7	-86.8	63.6	0	0	0	108.4	V108 T109 L129 E136 V137 M140 H175 R177	V108-L132 HydrophobicContact CG2-CD1 4.03Å; V108-L132 HydrophobicContact CG2-CD2 4.19Å; T109-L132 HydrophobicContact CG2-CD1 4.24Å; T109-L132 HydrophobicContact CG2-CD2 3.83Å; T109-L132 HydrophobicContact CG2-CG 3.7Å; L129-L132 PolarHBondContact O-N 2.89Å; L132-E136 HydrophobicContact CB-CB 3.79Å; L132-E136 HydrophobicContact CD2-CB 3.98Å; L132-E136 HydrophobicContact CG-CB 3.86Å; L132-V137 HydrophobicContact CB-CG2 3.72Å; L132-M140 HydrophobicContact CD2-CB 4.06Å; L132-M140 HydrophobicContact CD2-CG 4.4Å; L132-H175 PolarHBondContact O-CD2 3.46Å; L132-R177 PolarHBondContact O-NH2 3.42Å
133	S	97.5	Very high	97.6	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.154	13%	0.134	C	C	.	.			trans	-66.5	163.7	166.1	60.5	0	0	0	0	111.1	K135 E136 V137 R177	S133-K135 PolarHBondContact O-N 3.3Å; S133-E136 PolarHBondContact N-OE2 2.89Å; S133-E136 PolarHBondContact O-N 3.35Å; S133-E136 VanDerWaalsContact OG-CG 3.26Å; S133-E136 WeakPolarHBondContact OG-CG 3.29Å; S133-E136 PolarHBondContact OG-N 3.48Å; S133-E136 PolarHBondContact OG-OE2 2.95Å; S133-V137 WeakPolarHBondContact O-CG2 3.38Å; S133-V137 PolarHBondContact O-N 2.82Å; S133-R177 VanDerWaalsContact C-NH2 3.32Å
134	D	97.3	Very high	97.6	Very high	78 Å²	78	28.2 Å²	28.2	42%	0.417	13%	0.134	S	C	.	.	H	α-helix	trans	-55.2	-42.3	-178.2	-68.6	3.5	0	0	0	112.1	E136 V137 E138 R177 F181	D134-E136 PolarHBondContact O-N 3.38Å; D134-V137 PolarHBondContact O-N 3.49Å; D134-E138 PolarHBondContact O-N 3.25Å; D134-R177 IonicContact OD1-CZ 3.07Å; D134-R177 VanDerWaalsContact OD1-CZ 3.22Å; D134-R177 IonicContact OD1-NE 2.71Å; D134-R177 PolarHBondContact OD1-NE 3.07Å; D134-R177 IonicContact OD1-NH2 2.8Å; D134-R177 PolarHBondContact OD1-NH2 3.07Å; D134-F181 HydrophobicContact CB-CE2 3.82Å; D134-F181 HydrophobicContact CB-CZ 3.74Å
135	K	95.8	Very high	97.5	Very high	83 Å²	83	28.1 Å²	28.1	36%	0.361	13%	0.134	S	C	.	.	H	α-helix	trans	-68.5	-35	178.3	-170.8	48.6	172.4	170	0	113.1	Y5 S133 V137 E138 L139	Y5-K135 HydrophobicContact CE1-CB 4.27Å; Y5-K135 HydrophobicContact CE1-CG 4.09Å; Y5-K135 WeakPolarHBondContact OH-CG 3.16Å; S133-K135 PolarHBondContact O-N 3.3Å; K135-V137 VanDerWaalsContact C-N 3.33Å; K135-E138 HydrophobicContact CD-CB 4.44Å; K135-E138 WeakPolarHBondContact CD-OE2 3.37Å; K135-E138 IonicContact NZ-OE2 3.81Å; K135-E138 PolarHBondContact NZ-OE2 3.4Å; K135-L139 HydrophobicContact CG-CD1 4.44Å; K135-L139 VanDerWaalsContact O-CG 3.31Å; K135-L139 WeakPolarHBondContact O-CG 3.44Å; K135-L139 PolarHBondContact O-N 3.42Å; K135-L139 VanDerWaalsContact O-N 3.09Å
136	E	97.5	Very high	97.4	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.047	14%	0.137	C	C	.	.	H	α-helix	trans	-69.1	-33.7	174.8	-72.4	165.5	152.4	0	0	111.4	Y5 E8 R9 T109 L132 S133 D134 M140	Y5-E136 HydrophobicContact CD1-CG 4.42Å; E8-E136 WeakPolarHBondContact CG-OE2 3.44Å; R9-E136 IonicContact CZ-OE1 2.69Å; R9-E136 IonicContact CZ-OE2 2.71Å; R9-E136 IonicContact NE-OE1 2.78Å; R9-E136 PolarHBondContact NE-OE1 2.98Å; R9-E136 IonicContact NE-OE2 3.17Å; R9-E136 IonicContact NH2-OE1 2.92Å; R9-E136 PolarHBondContact NH2-OE1 3.13Å; R9-E136 IonicContact NH2-OE2 3.7Å; R9-E136 PolarHBondContact NH2-OE2 3.3Å; T109-E136 HydrophobicContact CG2-CB 4.03Å; T109-E136 HydrophobicContact CG2-CG 4Å; L132-E136 HydrophobicContact CB-CB 3.79Å; L132-E136 HydrophobicContact CD2-CB 3.98Å; L132-E136 HydrophobicContact CG-CB 3.86Å; S133-E136 PolarHBondContact N-OE2 2.89Å; S133-E136 PolarHBondContact O-N 3.35Å; S133-E136 VanDerWaalsContact OG-CG 3.26Å; S133-E136 WeakPolarHBondContact OG-CG 3.29Å; S133-E136 PolarHBondContact OG-N 3.48Å; S133-E136 PolarHBondContact OG-OE2 2.95Å; D134-E136 PolarHBondContact O-N 3.38Å; E136-M140 VanDerWaalsContact O-CB 3.22Å; E136-M140 WeakPolarHBondContact O-CB 3.21Å; E136-M140 PolarHBondContact O-N 2.84Å
137	V	98.1	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.1	-44.8	173.8	179.9	0	0	0	0	111.1	L129 L132 S133 D134 K135 L139 M140 A141 F181 Y182 V185 F186	L129-V137 HydrophobicContact CB-CG1 4.47Å; L129-V137 HydrophobicContact CB-CG2 4.12Å; L129-V137 HydrophobicContact CD1-CG1 4.26Å; L129-V137 HydrophobicContact CD2-CG1 4.41Å; L132-V137 HydrophobicContact CB-CG2 3.72Å; S133-V137 WeakPolarHBondContact O-CG2 3.38Å; S133-V137 PolarHBondContact O-N 2.82Å; D134-V137 PolarHBondContact O-N 3.49Å; K135-V137 VanDerWaalsContact C-N 3.33Å; V137-L139 PolarHBondContact O-N 2.88Å; V137-M140 PolarHBondContact O-N 3.2Å; V137-A141 WeakPolarHBondContact O-CB 3.27Å; V137-A141 PolarHBondContact O-N 3.09Å; V137-F181 HydrophobicContact CB-CE1 4.02Å; V137-F181 HydrophobicContact CB-CZ 4.29Å; V137-F181 HydrophobicContact CG1-CE1 3.85Å; V137-F181 HydrophobicContact CG1-CZ 4.49Å; V137-F181 HydrophobicContact CG2-CE1 4.34Å; V137-Y182 HydrophobicContact CG1-CD1 4.42Å; V137-V185 HydrophobicContact CG1-CG1 4.2Å; V137-F186 HydrophobicContact CG1-CE2 4.36Å
138	E	96.5	Very high	97.4	Very high	70 Å²	70	26.6 Å²	26.6	33%	0.327	13%	0.129	S	C	.	.	H	α-helix	trans	-54.9	-52.2	173.8	-70.1	170	-167.8	0	0	111.7	D134 K135 M140 A141 E142 V185	D134-E138 PolarHBondContact O-N 3.25Å; K135-E138 HydrophobicContact CD-CB 4.44Å; K135-E138 WeakPolarHBondContact CD-OE2 3.37Å; K135-E138 IonicContact NZ-OE2 3.81Å; K135-E138 PolarHBondContact NZ-OE2 3.4Å; E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 2.93Å; E138-A141 PolarHBondContact O-N 3.11Å; E138-E142 PolarHBondContact O-N 3.47Å; E138-E142 VanDerWaalsContact O-N 3.13Å; E138-V185 HydrophobicContact CB-CG1 4.47Å; E138-V185 HydrophobicContact CG-CG1 4.21Å; E138-V185 HydrophobicContact CG-CG2 4.17Å
139	L	96.1	Very high	97.3	Very high	73 Å²	73	29.1 Å²	29.1	38%	0.382	14%	0.139	S	C	.	.	H	α-helix	trans	-63.1	-37.8	178.7	-68.6	171.8	0	0	0	111.8	K135 V137 E142 R143	K135-L139 HydrophobicContact CG-CD1 4.44Å; K135-L139 VanDerWaalsContact O-CG 3.31Å; K135-L139 WeakPolarHBondContact O-CG 3.44Å; K135-L139 PolarHBondContact O-N 3.42Å; K135-L139 VanDerWaalsContact O-N 3.09Å; V137-L139 PolarHBondContact O-N 2.88Å; L139-E142 PolarHBondContact O-N 2.58Å; L139-R143 VanDerWaalsContact O-CG 3.28Å; L139-R143 WeakPolarHBondContact O-CG 3.38Å; L139-R143 PolarHBondContact O-N 3.25Å; L139-R143 VanDerWaalsContact O-N 3.1Å
140	M	97.1	Very high	97.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-42.1	178.1	-169.5	65.7	-150.3	0	0	111.4	L60 V108 L129 L132 E136 V137 E138 E142 R143 M144 W147	L60-M140 HydrophobicContact CD1-CE 3.54Å; V108-M140 HydrophobicContact CB-CE 4.39Å; V108-M140 HydrophobicContact CB-SD 3.96Å; V108-M140 HydrophobicContact CG2-SD 4.31Å; L129-M140 HydrophobicContact CD2-CG 4.36Å; L132-M140 HydrophobicContact CD2-CB 4.06Å; L132-M140 HydrophobicContact CD2-CG 4.4Å; E136-M140 VanDerWaalsContact O-CB 3.22Å; E136-M140 WeakPolarHBondContact O-CB 3.21Å; E136-M140 PolarHBondContact O-N 2.84Å; V137-M140 PolarHBondContact O-N 3.2Å; E138-M140 VanDerWaalsContact C-N 3.3Å; E138-M140 PolarHBondContact O-N 2.93Å; M140-E142 PolarHBondContact O-N 3.5Å; M140-R143 PolarHBondContact O-N 2.78Å; M140-M144 HydrophobicContact CE-CE 3.72Å; M140-M144 HydrophobicContact CE-CG 3.65Å; M140-M144 HydrophobicContact CE-SD 4.43Å; M140-M144 HydrophobicContact CG-CE 3.79Å; M140-M144 HydrophobicContact CG-CG 4.3Å; M140-M144 HydrophobicContact CG-SD 4.28Å; M140-M144 VanDerWaalsContact O-CG 3.27Å; M140-M144 WeakPolarHBondContact O-CG 3.35Å; M140-M144 PolarHBondContact O-N 2.79Å; M140-W147 HydrophobicContact CE-CE3 4.29Å; M140-W147 HydrophobicContact CE-CH2 3.74Å; M140-W147 HydrophobicContact CE-CZ3 3.35Å
141	A	97.3	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-43.2	177.9	0	0	0	0	0	111.4	V137 E138 R143 M144 I145 V185 F186 C189	V137-A141 WeakPolarHBondContact O-CB 3.27Å; V137-A141 PolarHBondContact O-N 3.09Å; E138-A141 PolarHBondContact O-N 3.11Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 2.84Å; A141-M144 PolarHBondContact O-N 3.47Å; A141-I145 WeakPolarHBondContact O-CG2 3.37Å; A141-I145 PolarHBondContact O-N 3.23Å; A141-V185 HydrophobicContact CB-CG1 3.79Å; A141-F186 HydrophobicContact CB-CD1 4.1Å; A141-F186 HydrophobicContact CB-CD2 4.07Å; A141-F186 HydrophobicContact CB-CE1 3.93Å; A141-F186 HydrophobicContact CB-CE2 3.91Å; A141-F186 HydrophobicContact CB-CG 4.18Å; A141-F186 HydrophobicContact CB-CZ 3.84Å; A141-C189 WeakPolarHBondContact CB-SG 3.24Å
142	E	95.8	Very high	96.8	Very high	108 Å²	108	33.7 Å²	33.7	51%	0.505	18%	0.178	S	C	.	.	H	α-helix	trans	-59.3	-38.4	173.1	-72	176.8	-178.8	0	0	112.7	E138 L139 M140 I145 G146	E138-E142 PolarHBondContact O-N 3.47Å; E138-E142 VanDerWaalsContact O-N 3.13Å; L139-E142 PolarHBondContact O-N 2.58Å; M140-E142 PolarHBondContact O-N 3.5Å; E142-I145 WeakPolarHBondContact O-CG2 3.5Å; E142-G146 PolarHBondContact O-N 3.22Å
143	R	96.8	Very high	96.8	Very high	57 Å²	57	35.8 Å²	35.8	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-45.6	175.7	-67.6	179.1	80.5	173.9	19.4	112.1	V108 S110 L113 L139 M140 A141 I145 G146 W147	V108-R143 PolarHBondContact O-NH1 3.36Å; S110-R143 PolarHBondContact O-NH1 3.36Å; L113-R143 PolarHBondContact O-NH2 2.84Å; L139-R143 VanDerWaalsContact O-CG 3.28Å; L139-R143 WeakPolarHBondContact O-CG 3.38Å; L139-R143 PolarHBondContact O-N 3.25Å; L139-R143 VanDerWaalsContact O-N 3.1Å; M140-R143 PolarHBondContact O-N 2.78Å; A141-R143 VanDerWaalsContact C-N 3.31Å; A141-R143 PolarHBondContact O-N 2.84Å; R143-I145 VanDerWaalsContact C-N 3.34Å; R143-I145 PolarHBondContact O-N 2.87Å; R143-G146 WeakPolarHBondContact O-CA 3.31Å; R143-G146 PolarHBondContact O-N 3.42Å; R143-W147 HydrophobicContact CB-CD2 4.42Å; R143-W147 HydrophobicContact CB-CH2 4.27Å; R143-W147 HydrophobicContact CB-CZ2 3.94Å; R143-W147 VanDerWaalsContact CZ-CZ2 3.47Å; R143-W147 PolarHBondContact O-N 2.91Å
144	M	98.1	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-43.5	-179.1	-71.9	177.4	168.7	0	0	111.5	L60 I123 L129 M140 A141 G146 W147 V148 I154 F186	L60-M144 HydrophobicContact CD1-CE 3.62Å; I123-M144 HydrophobicContact CD1-CB 3.77Å; I123-M144 HydrophobicContact CD1-CG 3.98Å; I123-M144 WeakPolarHBondContact CD1-O 3.14Å; I123-M144 HydrophobicContact CG2-CE 4.16Å; I123-M144 HydrophobicContact CG2-CG 4.34Å; I123-M144 HydrophobicContact CG2-SD 4.46Å; L129-M144 HydrophobicContact CD2-CE 4.45Å; M140-M144 HydrophobicContact CE-CE 3.72Å; M140-M144 HydrophobicContact CE-CG 3.65Å; M140-M144 HydrophobicContact CE-SD 4.43Å; M140-M144 HydrophobicContact CG-CE 3.79Å; M140-M144 HydrophobicContact CG-CG 4.3Å; M140-M144 HydrophobicContact CG-SD 4.28Å; M140-M144 VanDerWaalsContact O-CG 3.27Å; M140-M144 WeakPolarHBondContact O-CG 3.35Å; M140-M144 PolarHBondContact O-N 2.79Å; A141-M144 PolarHBondContact O-N 3.47Å; M144-G146 VanDerWaalsContact C-N 3.29Å; M144-G146 PolarHBondContact O-N 3.17Å; M144-W147 PolarHBondContact O-N 2.96Å; M144-V148 WeakPolarHBondContact O-CG1 3.36Å; M144-V148 PolarHBondContact O-N 3.04Å; M144-V148 VanDerWaalsContact O-N 3.07Å; M144-I154 HydrophobicContact CB-CD1 3.64Å; M144-I154 HydrophobicContact CB-CG1 4.29Å; M144-I154 HydrophobicContact SD-CG2 3.83Å; M144-F186 HydrophobicContact SD-CE1 3.74Å; M144-F186 HydrophobicContact SD-CZ 3.86Å
145	I	96.5	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-32.7	175.4	-167.5	-177.2	0	0	0	111.8	A141 E142 R143 C189 T191 L201 K228	A141-I145 WeakPolarHBondContact O-CG2 3.37Å; A141-I145 PolarHBondContact O-N 3.23Å; E142-I145 WeakPolarHBondContact O-CG2 3.5Å; R143-I145 VanDerWaalsContact C-N 3.34Å; R143-I145 PolarHBondContact O-N 2.87Å; I145-C189 HydrophobicContact CD1-CB 4.26Å; I145-C189 HydrophobicContact CG2-CB 4.26Å; I145-T191 HydrophobicContact CD1-CG2 3.84Å; I145-T191 HydrophobicContact CG1-CG2 3.77Å; I145-T191 HydrophobicContact CG2-CG2 4.4Å; I145-L201 HydrophobicContact CB-CD1 4.45Å; I145-L201 HydrophobicContact CB-CD2 4.24Å; I145-L201 HydrophobicContact CB-CG 4.28Å; I145-L201 HydrophobicContact CD1-CD2 4.25Å; I145-L201 HydrophobicContact CD1-CG 3.97Å; I145-L201 HydrophobicContact CG1-CD2 3.86Å; I145-L201 HydrophobicContact CG1-CG 4.03Å; I145-K228 HydrophobicContact CG1-CD 4.19Å; I145-K228 HydrophobicContact CG1-CG 4.36Å; I145-K228 WeakPolarHBondContact O-CD 3.48Å; I145-K228 WeakPolarHBondContact O-CE 3.45Å; I145-K228 PolarHBondContact O-NZ 2.65Å
146	G	96.6	Very high	97	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	14%	0.142	C	C	.	.	H	α-helix	trans	-65.9	-46.6	173	0	0	0	0	0	112.9	D117 G118 E142 R143 M144	D117-G146 CarbonylContact C-O 3.58Å; D117-G146 WeakPolarHBondContact CA-O 3.47Å; D117-G146 WeakPolarHBondContact CB-O 3.26Å; G118-G146 PolarHBondContact N-O 3.05Å; E142-G146 PolarHBondContact O-N 3.22Å; R143-G146 WeakPolarHBondContact O-CA 3.31Å; R143-G146 PolarHBondContact O-N 3.42Å; M144-G146 VanDerWaalsContact C-N 3.29Å; M144-G146 PolarHBondContact O-N 3.17Å
147	W	97.9	Very high	97	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-69.6	-35.2	-176	-62.1	-16.3	0	0	0	114.3	L58 L113 I115 G118 S119 I120 I123 M140 R143 M144	L58-W147 HydrophobicContact CD2-CE3 3.67Å; L58-W147 HydrophobicContact CD2-CZ3 3.84Å; L113-W147 HydrophobicContact CD2-CH2 3.78Å; L113-W147 HydrophobicContact CD2-CZ2 4.42Å; L113-W147 HydrophobicContact CG-CH2 4.31Å; I115-W147 HydrophobicContact CB-CD2 3.71Å; I115-W147 HydrophobicContact CB-CE3 4.23Å; I115-W147 HydrophobicContact CB-CG 3.94Å; I115-W147 HydrophobicContact CB-CH2 4.47Å; I115-W147 HydrophobicContact CB-CZ2 3.95Å; I115-W147 HydrophobicContact CG1-CD2 4.21Å; I115-W147 HydrophobicContact CG1-CE3 4.26Å; I115-W147 HydrophobicContact CG1-CH2 4.05Å; I115-W147 HydrophobicContact CG1-CZ2 3.96Å; I115-W147 HydrophobicContact CG1-CZ3 4.19Å; I115-W147 HydrophobicContact CG2-CB 4.04Å; I115-W147 HydrophobicContact CG2-CD2 3.86Å; I115-W147 HydrophobicContact CG2-CE3 4.3Å; I115-W147 HydrophobicContact CG2-CG 3.72Å; I115-W147 PolarHBondContact O-NE1 3.35Å; G118-W147 CarbonylContact C-O 3.55Å; G118-W147 WeakPolarHBondContact CA-O 3.32Å; G118-W147 PolarHBondContact N-O 3.47Å; S119-W147 PolarHBondContact N-O 3.21Å; I120-W147 PolarHBondContact N-O 3.28Å; I123-W147 HydrophobicContact CD1-CB 4.09Å; I123-W147 HydrophobicContact CD1-CE3 4.16Å; M140-W147 HydrophobicContact CE-CE3 4.29Å; M140-W147 HydrophobicContact CE-CH2 3.74Å; M140-W147 HydrophobicContact CE-CZ3 3.35Å; R143-W147 HydrophobicContact CB-CD2 4.42Å; R143-W147 HydrophobicContact CB-CH2 4.27Å; R143-W147 HydrophobicContact CB-CZ2 3.94Å; R143-W147 VanDerWaalsContact CZ-CZ2 3.47Å; R143-W147 PolarHBondContact O-N 2.91Å; M144-W147 PolarHBondContact O-N 2.96Å
148	V	97.8	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.6	-178.5	75.8	0	0	0	0	111.4	I120 I123 M144 I154 K228	I120-V148 CarbonylContact O-C 3.52Å; I120-V148 VanDerWaalsContact O-CA 3.3Å; I120-V148 WeakPolarHBondContact O-CA 3.45Å; I123-V148 HydrophobicContact CD1-CB 4.36Å; M144-V148 WeakPolarHBondContact O-CG1 3.36Å; M144-V148 PolarHBondContact O-N 3.04Å; M144-V148 VanDerWaalsContact O-N 3.07Å; V148-I154 HydrophobicContact CG1-CD1 4.44Å; V148-I154 HydrophobicContact CG1-CG1 4.46Å; V148-K228 HydrophobicContact CG1-CB 3.74Å; V148-K228 HydrophobicContact CG1-CD 3.6Å; V148-K228 HydrophobicContact CG1-CG 4.31Å; V148-K228 VanDerWaalsContact O-CD 3.26Å; V148-K228 WeakPolarHBondContact O-CD 3.47Å; V148-K228 PolarHBondContact O-NZ 2.84Å
149	K	97.1	Very high	97	Very high	68 Å²	68	23.7 Å²	23.7	30%	0.296	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	153.3	173.9	-70.2	178.3	-155.3	159.6	0	111	G118 S119 I120 D121 G151 G152	G118-K149 WeakPolarHBondContact O-CG 3.23Å; S119-K149 WeakPolarHBondContact O-CE 3.25Å; I120-K149 PolarHBondContact O-N 2.76Å; D121-K149 VanDerWaalsContact OD1-CD 3.32Å; D121-K149 WeakPolarHBondContact OD1-CD 3.49Å; D121-K149 IonicContact OD1-NZ 3.28Å; D121-K149 PolarHBondContact OD1-NZ 3.14Å; D121-K149 IonicContact OD2-NZ 3.43Å; D121-K149 PolarHBondContact OD2-NZ 2.84Å; K149-G151 PolarHBondContact O-N 2.69Å; K149-G152 WeakPolarHBondContact O-CA 3.47Å; K149-G152 PolarHBondContact O-N 2.75Å
150	P	94.2	Very high	96.8	Very high	78 Å²	78	20.2 Å²	20.2	51%	0.506	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	129.4	162.4	-25.5	35.8	0	0	0	110.8	G152 F199	P150-G152 PolarHBondContact O-N 3.45Å; P150-F199 HydrophobicContact CB-CD1 4.24Å; P150-F199 HydrophobicContact CB-CE1 3.68Å; P150-F199 HydrophobicContact CB-CZ 4.32Å; P150-F199 HydrophobicContact CG-CD1 4.21Å; P150-F199 HydrophobicContact CG-CE1 3.56Å; P150-F199 HydrophobicContact CG-CE2 4.5Å; P150-F199 HydrophobicContact CG-CZ 3.73Å
151	G	93.2	Very high	96.4	Very high	35 Å²	35	22 Å²	22	36%	0.361	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-8.5	-173.9	0	0	0	0	0	115.4	K149 Y153 Q227 K228	K149-G151 PolarHBondContact O-N 2.69Å; G151-Y153 WeakPolarHBondContact O-CE2 3.45Å; G151-Q227 PolarHBondContact O-NE2 3.41Å; G151-K228 WeakPolarHBondContact CA-O 3.32Å; G151-K228 PolarHBondContact N-O 2.78Å
152	G	97.2	Very high	96.1	Very high	4 Å²	4	26.4 Å²	26.4	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	170.8	173.5	0	0	0	0	0	112.7	D121 K149 P150 Q227 K228	D121-G152 CarbonylContact O-C 3.42Å; D121-G152 WeakPolarHBondContact O-CA 2.84Å; K149-G152 WeakPolarHBondContact O-CA 3.47Å; K149-G152 PolarHBondContact O-N 2.75Å; P150-G152 PolarHBondContact O-N 3.45Å; G152-Q227 WeakPolarHBondContact O-CA 3.37Å; G152-K228 PolarHBondContact O-N 2.6Å
153	Y	98.1	Very high	96	Very high	48 Å²	48	24.5 Å²	24.5	19%	0.188	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153	-166.5	-60.8	-92.1	0	0	0	114.2	P50 D121 L122 I123 G151 V204 I225 W226 Q227	P50-Y153 HydrophobicContact CB-CD1 3.6Å; P50-Y153 HydrophobicContact CB-CD2 3.64Å; P50-Y153 HydrophobicContact CB-CE1 3.89Å; P50-Y153 HydrophobicContact CB-CE2 3.95Å; P50-Y153 HydrophobicContact CB-CG 3.46Å; P50-Y153 VanDerWaalsContact CB-CG 3.46Å; P50-Y153 HydrophobicContact CG-CD1 3.57Å; P50-Y153 HydrophobicContact CG-CD2 4.35Å; P50-Y153 HydrophobicContact CG-CE1 4.19Å; P50-Y153 HydrophobicContact CG-CG 3.66Å; D121-Y153 PolarHBondContact O-N 3.14Å; L122-Y153 CarbonylContact C-O 3.52Å; L122-Y153 WeakPolarHBondContact CA-O 3.21Å; I123-Y153 PolarHBondContact N-O 3Å; G151-Y153 WeakPolarHBondContact O-CE2 3.45Å; Y153-V204 HydrophobicContact CE1-CG2 4.31Å; Y153-I225 HydrophobicContact CD1-CG2 4.29Å; Y153-W226 CarbonylContact C-O 3.57Å; Y153-W226 WeakPolarHBondContact CA-O 3.28Å; Y153-W226 WeakPolarHBondContact CB-O 3.25Å; Y153-Q227 HydrophobicContact CD1-CB 3.84Å; Y153-Q227 HydrophobicContact CD1-CG 4.09Å; Y153-Q227 HydrophobicContact CE1-CB 3.75Å; Y153-Q227 HydrophobicContact CE1-CG 3.77Å; Y153-Q227 PolarHBondContact OH-NE2 3.12Å; Y153-Q227 VanDerWaalsContact OH-NE2 3.17Å
154	I	98.6	Very high	95.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.6	166.6	-56.5	163.1	0	0	0	107.4	I123 M144 V148 F156 F186 L201 I225 W226	I123-I154 HydrophobicContact CB-CG1 4.3Å; I123-I154 HydrophobicContact CB-CG2 4.38Å; I123-I154 HydrophobicContact CD1-CG1 4.31Å; I123-I154 CarbonylContact O-C 3.58Å; I123-I154 WeakPolarHBondContact O-CA 3.35Å; M144-I154 HydrophobicContact CB-CD1 3.64Å; M144-I154 HydrophobicContact CB-CG1 4.29Å; M144-I154 HydrophobicContact SD-CG2 3.83Å; V148-I154 HydrophobicContact CG1-CD1 4.44Å; V148-I154 HydrophobicContact CG1-CG1 4.46Å; I154-F156 HydrophobicContact CG2-CD1 4.18Å; I154-F186 HydrophobicContact CG2-CE1 4.16Å; I154-L201 HydrophobicContact CD1-CD1 3.74Å; I154-L201 HydrophobicContact CD1-CD2 3.75Å; I154-L201 HydrophobicContact CD1-CG 4.43Å; I154-I225 WeakPolarHBondContact O-CA 3.12Å; I154-W226 HydrophobicContact CB-CB 4.27Å; I154-W226 PolarHBondContact N-O 2.86Å; I154-W226 PolarHBondContact O-N 3.48Å
155	F	98.4	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.7	170.9	-179.3	-76.5	0	0	0	108.6	V45 L48 L122 I123 F124 S125 R157 C223 W224 I225	V45-F155 HydrophobicContact CG1-CE1 4.04Å; V45-F155 HydrophobicContact CG1-CZ 4Å; L48-F155 HydrophobicContact CB-CE2 3.9Å; L122-F155 HydrophobicContact CD1-CB 4.35Å; I123-F155 PolarHBondContact O-N 3.45Å; F124-F155 WeakPolarHBondContact CA-O 3.1Å; F124-F155 HydrophobicContact CD2-CB 4.13Å; F124-F155 AromaticContact CD2-CD1 3.38Å; F124-F155 HydrophobicContact CD2-CD1 3.38Å; F124-F155 HydrophobicContact CD2-CE1 4.03Å; F124-F155 AromaticContact CD2-CG 3.92Å; F124-F155 HydrophobicContact CD2-CG 3.92Å; F124-F155 AromaticContact CE2-CD1 3.5Å; F124-F155 HydrophobicContact CE2-CD1 3.5Å; F124-F155 VanDerWaalsContact CE2-CD1 3.5Å; F124-F155 AromaticContact CE2-CE1 3.63Å; F124-F155 HydrophobicContact CE2-CE1 3.63Å; F124-F155 HydrophobicContact CE2-CG 4.31Å; S125-F155 PolarHBondContact N-O 3.29Å; F155-R157 HydrophobicContact CE1-CB 4.05Å; F155-C223 HydrophobicContact CE1-CB 4.33Å; F155-C223 HydrophobicContact CE2-CB 4.07Å; F155-C223 HydrophobicContact CZ-CB 3.67Å; F155-W224 WeakPolarHBondContact CA-O 3.22Å; F155-I225 HydrophobicContact CD2-CD1 4.48Å; F155-I225 HydrophobicContact CD2-CG1 3.89Å; F155-I225 HydrophobicContact CE2-CG1 4.24Å
156	F	98.5	Very high	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	167	65	-97	0	0	0	111.6	S125 L129 I154 E158 Y182 F186 C223 W224 W226	S125-F156 VanDerWaalsContact O-CA 3.27Å; S125-F156 WeakPolarHBondContact O-CA 3.36Å; S125-F156 VanDerWaalsContact OG-CB 3.29Å; S125-F156 WeakPolarHBondContact OG-CB 3.29Å; L129-F156 HydrophobicContact CD1-CB 4.39Å; L129-F156 HydrophobicContact CD1-CD1 4.25Å; L129-F156 HydrophobicContact CD1-CD2 3.71Å; L129-F156 HydrophobicContact CD1-CE1 4.44Å; L129-F156 HydrophobicContact CD1-CE2 3.93Å; L129-F156 HydrophobicContact CD1-CG 3.88Å; L129-F156 HydrophobicContact CD1-CZ 4.3Å; I154-F156 HydrophobicContact CG2-CD1 4.18Å; F156-E158 HydrophobicContact CD2-CG 4.1Å; F156-Y182 HydrophobicContact CE2-CD1 4.34Å; F156-Y182 HydrophobicContact CE2-CG 4.15Å; F156-F186 HydrophobicContact CD1-CD1 4.44Å; F156-F186 AromaticContact CD1-CE1 3.92Å; F156-F186 HydrophobicContact CD1-CE1 3.92Å; F156-F186 HydrophobicContact CD1-CE2 4.23Å; F156-F186 AromaticContact CD1-CZ 3.8Å; F156-F186 HydrophobicContact CD1-CZ 3.8Å; F156-F186 AromaticContact CE1-CD1 3.67Å; F156-F186 HydrophobicContact CE1-CD1 3.67Å; F156-F186 AromaticContact CE1-CD2 3.67Å; F156-F186 HydrophobicContact CE1-CD2 3.67Å; F156-F186 AromaticContact CE1-CE1 3.54Å; F156-F186 HydrophobicContact CE1-CE1 3.54Å; F156-F186 AromaticContact CE1-CE2 3.53Å; F156-F186 HydrophobicContact CE1-CE2 3.53Å; F156-F186 AromaticContact CE1-CG 3.74Å; F156-F186 HydrophobicContact CE1-CG 3.74Å; F156-F186 AromaticContact CE1-CZ 3.47Å; F156-F186 HydrophobicContact CE1-CZ 3.47Å; F156-F186 VanDerWaalsContact CE1-CZ 3.47Å; F156-F186 HydrophobicContact CZ-CD1 4.48Å; F156-F186 AromaticContact CZ-CD2 3.71Å; F156-F186 HydrophobicContact CZ-CD2 3.71Å; F156-F186 HydrophobicContact CZ-CE1 4.5Å; F156-F186 AromaticContact CZ-CE2 3.72Å; F156-F186 HydrophobicContact CZ-CE2 3.72Å; F156-F186 HydrophobicContact CZ-CG 4.11Å; F156-F186 HydrophobicContact CZ-CZ 4.13Å; F156-C223 CarbonylContact O-C 3.51Å; F156-C223 VanDerWaalsContact O-CA 3.22Å; F156-C223 WeakPolarHBondContact O-CA 3.15Å; F156-W224 HydrophobicContact CD1-CB 4.28Å; F156-W224 HydrophobicContact CD2-CB 4.28Å; F156-W224 HydrophobicContact CD2-CD2 4.17Å; F156-W224 AromaticContact CD2-CE3 3.55Å; F156-W224 HydrophobicContact CD2-CE3 3.55Å; F156-W224 HydrophobicContact CD2-CG 4.5Å; F156-W224 HydrophobicContact CD2-CZ3 4.22Å; F156-W224 HydrophobicContact CE1-CB 3.83Å; F156-W224 HydrophobicContact CE1-CG 4.34Å; F156-W224 HydrophobicContact CE2-CB 3.83Å; F156-W224 AromaticContact CE2-CD2 3.38Å; F156-W224 HydrophobicContact CE2-CD2 3.38Å; F156-W224 AromaticContact CE2-CE3 3.13Å; F156-W224 HydrophobicContact CE2-CE3 3.13Å; F156-W224 AromaticContact CE2-CG 3.7Å; F156-W224 HydrophobicContact CE2-CG 3.7Å; F156-W224 AromaticContact CE2-CZ3 3.81Å; F156-W224 HydrophobicContact CE2-CZ3 3.81Å; F156-W224 HydrophobicContact CG-CB 4.5Å; F156-W224 HydrophobicContact CZ-CB 3.57Å; F156-W224 AromaticContact CZ-CD2 3.77Å; F156-W224 HydrophobicContact CZ-CD2 3.77Å; F156-W224 HydrophobicContact CZ-CE3 4Å; F156-W224 AromaticContact CZ-CG 3.6Å; F156-W224 HydrophobicContact CZ-CG 3.6Å; F156-W224 PolarHBondContact N-O 3.42Å; F156-W224 VanDerWaalsContact N-O 3.09Å; F156-W224 PolarHBondContact O-N 3.49Å; F156-W226 AromaticContact CE1-CD1 3.54Å; F156-W226 AromaticContact CE1-NE1 3.22Å; F156-W226 AromaticContact CZ-NE1 3.6Å
157	R	97.7	Very high	95	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.7	178.7	177.2	-82.9	-171.5	87.9	-1.2	109.8	E41 S125 N126 W127 F155 I209 Q221 I222 C223	E41-R157 IonicContact OE2-CZ 3.22Å; E41-R157 IonicContact OE2-NH1 3.39Å; E41-R157 PolarHBondContact OE2-NH1 3.2Å; E41-R157 IonicContact OE2-NH2 2.75Å; S125-R157 PolarHBondContact O-N 3.02Å; N126-R157 VanDerWaalsContact OD1-CD 3.29Å; N126-R157 WeakPolarHBondContact OD1-CD 3.09Å; N126-R157 PolarHBondContact OD1-NH1 3.42Å; W127-R157 WeakPolarHBondContact CA-O 3.33Å; W127-R157 PolarHBondContact N-O 3.25Å; F155-R157 HydrophobicContact CE1-CB 4.05Å; R157-I209 HydrophobicContact CG-CD1 4.27Å; R157-I209 HydrophobicContact CG-CG1 4.01Å; R157-Q221 VanDerWaalsContact NH2-OE1 3.12Å; R157-I222 CarbonylContact C-O 3.52Å; R157-I222 VanDerWaalsContact CA-O 3.27Å; R157-I222 WeakPolarHBondContact CA-O 3.16Å; R157-C223 HydrophobicContact CB-CB 3.83Å; R157-C223 HydrophobicContact CG-CB 4.06Å
158	E	97.6	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.4	-174.8	-55.1	-56.9	155.9	0	0	112.5	L128 L129 M130 F156 Y182 I222 W224	L128-E158 PolarHBondContact N-OE1 3.4Å; L128-E158 VanDerWaalsContact N-OE1 3.11Å; L128-E158 PolarHBondContact N-OE2 3.13Å; L128-E158 VanDerWaalsContact N-OE2 3.09Å; L129-E158 HydrophobicContact CB-CG 4.15Å; L129-E158 WeakPolarHBondContact CB-OE1 3.46Å; L129-E158 WeakPolarHBondContact CG-OE1 3.5Å; L129-E158 VanDerWaalsContact N-CD 3.32Å; L129-E158 PolarHBondContact N-OE1 3.22Å; L129-E158 PolarHBondContact N-OE2 3.35Å; M130-E158 VanDerWaalsContact CG-OE2 3.25Å; M130-E158 WeakPolarHBondContact CG-OE2 3.25Å; M130-E158 PolarHBondContact N-OE2 2.94Å; F156-E158 HydrophobicContact CD2-CG 4.1Å; E158-Y182 HydrophobicContact CB-CE2 4.01Å; E158-Y182 HydrophobicContact CG-CE1 4.2Å; E158-Y182 HydrophobicContact CG-CE2 4.22Å; E158-I222 PolarHBondContact N-O 3.17Å; E158-I222 PolarHBondContact O-N 3.2Å; E158-I222 VanDerWaalsContact O-N 3.15Å; E158-W224 HydrophobicContact CB-CZ3 4.37Å
159	S	96	Very high	94.3	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.6	165.3	-60.1	0	0	0	0	109.4	W127 Q221	W127-S159 PolarHBondContact NE1-OG 3.21Å; S159-Q221 PolarHBondContact OG-NE2 2.93Å; S159-Q221 PolarHBondContact OG-OE1 3.08Å
160	C	91.4	Very high	93.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.			trans	-96.5	160.8	178.2	-61.1	0	0	0	0	111.7	H162 R177 P179 N220 I222	C160-H162 PolarHBondContact O-N 3.48Å; C160-R177 CarbonylContact C-O 3.54Å; C160-R177 WeakPolarHBondContact CA-O 3.31Å; C160-R177 VanDerWaalsContact CB-O 3.31Å; C160-R177 WeakPolarHBondContact CB-O 3.35Å; C160-P179 HydrophobicContact CB-CG 3.94Å; C160-N220 PolarHBondContact N-O 3.09Å; C160-N220 WeakPolarHBondContact O-CB 3.32Å; C160-I222 HydrophobicContact CB-CD1 4.15Å
161	F	89.2	Confident	93.8	Very high	42 Å²	42	45.8 Å²	45.8	18%	0.184	23%	0.234	C	C	.	.	S	Bend	trans	64	-56.6	176	-48.7	-67.6	0	0	0	116.2	R177 E178 P179 N220 I222 E323 I326	F161-R177 PolarHBondContact N-O 3.47Å; F161-E178 HydrophobicContact CD1-CG 4.22Å; F161-E178 HydrophobicContact CE1-CB 4.17Å; F161-E178 HydrophobicContact CE1-CG 4.08Å; F161-P179 HydrophobicContact CE1-CG 4.21Å; F161-P179 HydrophobicContact CE2-CG 3.69Å; F161-P179 HydrophobicContact CZ-CG 3.41Å; F161-P179 VanDerWaalsContact CZ-CG 3.41Å; F161-N220 HydrophobicContact CD2-CB 4.36Å; F161-I222 HydrophobicContact CE2-CD1 4.35Å; F161-E323 HydrophobicContact CE1-CG 4.49Å; F161-I326 HydrophobicContact CD1-CD1 3.35Å; F161-I326 HydrophobicContact CD1-CG1 4.24Å; F161-I326 HydrophobicContact CD2-CD1 3.66Å; F161-I326 HydrophobicContact CD2-CG1 3.59Å; F161-I326 HydrophobicContact CD2-CG2 4.41Å; F161-I326 HydrophobicContact CE1-CD1 3.08Å; F161-I326 HydrophobicContact CE1-CG1 3.99Å; F161-I326 HydrophobicContact CE2-CD1 3.42Å; F161-I326 VanDerWaalsContact CE2-CD1 3.42Å; F161-I326 HydrophobicContact CE2-CG1 3.28Å; F161-I326 HydrophobicContact CG-CD1 3.62Å; F161-I326 HydrophobicContact CG-CG1 4.04Å; F161-I326 HydrophobicContact CZ-CD1 3.08Å; F161-I326 HydrophobicContact CZ-CG1 3.47Å; F161-I326 VanDerWaalsContact CZ-CG1 3.47Å
162	H	91.2	Very high	93.9	Very high	91 Å²	91	46.7 Å²	46.7	42%	0.421	23%	0.23	S	C	.	.	S	Bend	trans	-155.9	172.3	179.4	57.7	75.1	0	0	0	113	C160 Y176 N220	C160-H162 PolarHBondContact O-N 3.48Å; H162-Y176 VanDerWaalsContact C-CD1 3.43Å; H162-Y176 WeakPolarHBondContact O-CD1 3.2Å; H162-N220 PolarHBondContact CE1-ND2 3.09Å; H162-N220 PolarHBondContact NE2-ND2 2.8Å
163	Q	94.5	Very high	93.9	Very high	68 Å²	68	47.7 Å²	47.7	32%	0.318	24%	0.236	S	C	.	.			trans	-53.9	136.9	176.4	-174.6	177.3	-53.3	0	0	112.3	G165 N172 Y176	Q163-G165 WeakPolarHBondContact CG-O 3.2Å; Q163-G165 PolarHBondContact NE2-O 3.14Å; Q163-N172 PolarHBondContact OE1-ND2 2.92Å; Q163-Y176 VanDerWaalsContact CA-CZ 3.42Å; Q163-Y176 HydrophobicContact CB-CE1 4.25Å; Q163-Y176 HydrophobicContact CB-CE2 3.89Å
164	S	92.5	Very high	93.9	Very high	16 Å²	16	46 Å²	46	11%	0.112	23%	0.231	C	C	.	.			trans	-96.1	-50.9	176.9	179	0	0	0	0	112.8	Y212 K216 Q221	S164-Y212 WeakPolarHBondContact OG-CE1 3.48Å; S164-K216 WeakPolarHBondContact O-CE 3.47Å; S164-K216 PolarHBondContact O-NZ 2.84Å; S164-Q221 VanDerWaalsContact CB-NE2 3.28Å
165	G	90.8	Very high	93.9	Very high	10 Å²	10	48.5 Å²	48.5	10%	0.103	24%	0.242	C	C	.	.			trans	-66.6	150.9	-179.8	0	0	0	0	0	113.5	L30 D31 Q163	L30-G165 CarbonylContact O-C 3.58Å; L30-G165 VanDerWaalsContact O-CA 3.26Å; L30-G165 WeakPolarHBondContact O-CA 3.34Å; D31-G165 WeakPolarHBondContact OD2-CA 3.02Å; Q163-G165 WeakPolarHBondContact CG-O 3.2Å; Q163-G165 PolarHBondContact NE2-O 3.14Å
166	D	92.5	Very high	93.8	Very high	86 Å²	86	51 Å²	51	46%	0.46	25%	0.252	S	S	.	.			trans	-100.6	-0	-179.8	64.9	-3.4	0	0	0	114.1	L30 D31 S32	L30-D166 PolarHBondContact O-N 3.42Å; D31-D166 WeakPolarHBondContact CA-OD1 3.48Å; S32-D166 WeakPolarHBondContact CB-OD1 3.44Å; S32-D166 WeakPolarHBondContact CB-OD2 3.3Å; S32-D166 PolarHBondContact N-OD1 3.46Å; S32-D166 PolarHBondContact OG-OD1 3.11Å; S32-D166 PolarHBondContact OG-OD2 3.37Å
167	S	90.9	Very high	93.6	Very high	40 Å²	40	51.9 Å²	51.9	28%	0.28	26%	0.255	S	S	.	.			trans	-62.3	139.4	177.8	-68	0	0	0	0	111.6	L30 D31	L30-S167 VanDerWaalsContact O-CB 3.24Å; L30-S167 WeakPolarHBondContact O-CB 3.27Å; L30-S167 PolarHBondContact O-N 2.8Å; L30-S167 PolarHBondContact O-OG 3.06Å; D31-S167 PolarHBondContact N-OG 3.33Å
168	K	89.8	Confident	93.1	Very high	209 Å²	209	55.3 Å²	55.3	91%	0.909	27%	0.271	S	S	*	.			trans	-67.7	133.7	173.7	-71.1	-175.2	178.8	178.8	0	110.1
169	R	90	Very high	92.6	Very high	46 Å²	46	55.5 Å²	55.5	17%	0.174	27%	0.272	C	S	.	.			trans	-126.5	130.1	-178.5	-58.3	164.6	-167	-151.5	-4.8	108.7	Y15 N172 Y176	Y15-R169 PolarHBondContact OH-NH1 3.21Å; Y15-R169 VanDerWaalsContact OH-NH1 3.08Å; R169-N172 PolarHBondContact NH1-ND2 3.09Å; R169-Y176 PolarHBondContact NH1-OH 3.38Å
170	K	89.7	Confident	91.9	Very high	192 Å²	192	62 Å²	62	84%	0.835	30%	0.296	S	S	*	.	S	Bend	trans	-70.8	-36.5	176.5	-69.6	176.2	-176.6	166	0	111.6
171	S	92.1	Very high	91.8	Very high	67 Å²	67	64 Å²	64	47%	0.469	31%	0.305	S	S	.	.			trans	-138.2	153.6	172.8	66.5	0	0	0	0	108.6	Y15	Y15-S171 WeakPolarHBondContact CE2-O 3.22Å
172	N	95.8	Very high	92	Very high	54 Å²	54	62 Å²	62	29%	0.289	30%	0.296	S	S	.	.			trans	-145.4	95.9	177.3	-174.6	2.1	0	0	0	109.8	Q163 R169 T174 Y176	Q163-N172 PolarHBondContact OE1-ND2 2.92Å; R169-N172 PolarHBondContact NH1-ND2 3.09Å; N172-T174 PolarHBondContact O-N 3.28Å; N172-T174 WeakPolarHBondContact OD1-CB 3.29Å; N172-T174 PolarHBondContact OD1-N 2.92Å; N172-T174 VanDerWaalsContact OD1-N 3.14Å; N172-T174 PolarHBondContact OD1-OG1 2.89Å; N172-Y176 PolarHBondContact ND2-OH 2.75Å; N172-Y176 VanDerWaalsContact ND2-OH 3.08Å
173	P	96.9	Very high	91.8	Very high	24 Å²	24	58.2 Å²	58.2	16%	0.156	28%	0.279	C	S	.	.			trans	-84.4	11.3	178.5	35.4	-34.9	0	0	0	113.4	I11 Q12 Y15	I11-P173 HydrophobicContact CB-CB 4.35Å; I11-P173 HydrophobicContact CD1-CB 3.88Å; I11-P173 HydrophobicContact CG1-CB 4Å; Q12-P173 PolarHBondContact NE2-O 3.21Å; Y15-P173 HydrophobicContact CD1-CG 4.48Å; Y15-P173 VanDerWaalsContact CD2-CD 3.42Å; Y15-P173 HydrophobicContact CD2-CG 4.21Å; Y15-P173 HydrophobicContact CG-CG 3.89Å
174	T	97.7	Very high	91.3	Very high	14 Å²	14	60.8 Å²	60.8	9%	0.086	29%	0.289	C	S	.	.			trans	-68.1	133.7	-175.4	-55.3	0	0	0	0	112.3	M130 Y131 N172 Y176	M130-T174 HydrophobicContact CB-CG2 3.99Å; M130-T174 HydrophobicContact CE-CG2 3.15Å; M130-T174 HydrophobicContact CG-CG2 4.14Å; M130-T174 HydrophobicContact SD-CG2 4.49Å; Y131-T174 HydrophobicContact CE1-CG2 4.16Å; N172-T174 PolarHBondContact O-N 3.28Å; N172-T174 WeakPolarHBondContact OD1-CB 3.29Å; N172-T174 PolarHBondContact OD1-N 2.92Å; N172-T174 VanDerWaalsContact OD1-N 3.14Å; N172-T174 PolarHBondContact OD1-OG1 2.89Å; T174-Y176 HydrophobicContact CG2-CD1 3.95Å; T174-Y176 HydrophobicContact CG2-CD2 4.45Å; T174-Y176 HydrophobicContact CG2-CE1 3.41Å; T174-Y176 VanDerWaalsContact CG2-CE1 3.41Å; T174-Y176 HydrophobicContact CG2-CE2 3.99Å; T174-Y176 HydrophobicContact CG2-CG 4.42Å; T174-Y176 VanDerWaalsContact CG2-CZ 3.42Å; T174-Y176 PolarHBondContact O-N 3.31Å
175	H	98.2	Very high	91.3	Very high	53 Å²	53	60.7 Å²	60.7	25%	0.245	29%	0.288	C	S	.	.			trans	-89.9	97.4	175.3	-60.9	-79.9	0	0	0	111.4	E8 M130 L132 R177	E8-H175 IonicContact OE1-CD2 3.73Å; E8-H175 IonicContact OE1-CE1 3.99Å; E8-H175 IonicContact OE1-NE2 2.97Å; E8-H175 PolarHBondContact OE1-NE2 3.11Å; E8-H175 IonicContact OE2-NE2 2.77Å; M130-H175 PolarHBondContact O-N 3.49Å; L132-H175 PolarHBondContact O-CD2 3.46Å; H175-R177 HydrophobicContact CB-CG 4.32Å; H175-R177 PolarHBondContact O-N 3.28Å; H175-R177 VanDerWaalsContact O-N 3.17Å
176	Y	96.5	Very high	91.4	Very high	51 Å²	51	60.2 Å²	60.2	20%	0.2	28%	0.283	C	S	.	.			trans	-85.3	81.9	175.4	-57.9	-67.9	0	0	0	111.5	M130 H162 Q163 R169 N172 T174	M130-Y176 HydrophobicContact CE-CD1 4.39Å; M130-Y176 HydrophobicContact CE-CE1 3.8Å; H162-Y176 VanDerWaalsContact C-CD1 3.43Å; H162-Y176 WeakPolarHBondContact O-CD1 3.2Å; Q163-Y176 VanDerWaalsContact CA-CZ 3.42Å; Q163-Y176 HydrophobicContact CB-CE1 4.25Å; Q163-Y176 HydrophobicContact CB-CE2 3.89Å; R169-Y176 PolarHBondContact NH1-OH 3.38Å; N172-Y176 PolarHBondContact ND2-OH 2.75Å; N172-Y176 VanDerWaalsContact ND2-OH 3.08Å; T174-Y176 HydrophobicContact CG2-CD1 3.95Å; T174-Y176 HydrophobicContact CG2-CD2 4.45Å; T174-Y176 HydrophobicContact CG2-CE1 3.41Å; T174-Y176 VanDerWaalsContact CG2-CE1 3.41Å; T174-Y176 HydrophobicContact CG2-CE2 3.99Å; T174-Y176 HydrophobicContact CG2-CG 4.42Å; T174-Y176 VanDerWaalsContact CG2-CZ 3.42Å; T174-Y176 PolarHBondContact O-N 3.31Å
177	R	94	Very high	91	Very high	20 Å²	20	59 Å²	59	8%	0.075	28%	0.275	C	S	.	.			trans	-79.1	162.2	-175.5	-55.6	-172.3	178.5	83	2.1	112.7	L129 L132 S133 D134 C160 F161 H175 F181 Y182	L129-R177 PolarHBondContact O-NH1 3.18Å; L132-R177 PolarHBondContact O-NH2 3.42Å; S133-R177 VanDerWaalsContact C-NH2 3.32Å; D134-R177 IonicContact OD1-CZ 3.07Å; D134-R177 VanDerWaalsContact OD1-CZ 3.22Å; D134-R177 IonicContact OD1-NE 2.71Å; D134-R177 PolarHBondContact OD1-NE 3.07Å; D134-R177 IonicContact OD1-NH2 2.8Å; D134-R177 PolarHBondContact OD1-NH2 3.07Å; C160-R177 CarbonylContact C-O 3.54Å; C160-R177 WeakPolarHBondContact CA-O 3.31Å; C160-R177 VanDerWaalsContact CB-O 3.31Å; C160-R177 WeakPolarHBondContact CB-O 3.35Å; F161-R177 PolarHBondContact N-O 3.47Å; H175-R177 HydrophobicContact CB-CG 4.32Å; H175-R177 PolarHBondContact O-N 3.28Å; H175-R177 VanDerWaalsContact O-N 3.17Å; R177-F181 HydrophobicContact CB-CB 4.25Å; R177-F181 HydrophobicContact CB-CD1 4.46Å; R177-F181 HydrophobicContact CB-CG 4.5Å; R177-F181 HydrophobicContact CG-CD1 4.37Å; R177-Y182 HydrophobicContact CB-CE2 3.88Å; R177-Y182 PolarHBondContact NH1-OH 3.1Å
178	E	88.1	Confident	90.7	Very high	71 Å²	71	63.2 Å²	63.2	33%	0.332	29%	0.29	S	S	.	.			trans	-71	142.9	162.7	-61.8	175.6	-125.1	0	0	110.3	F161 R180 F181	F161-E178 HydrophobicContact CD1-CG 4.22Å; F161-E178 HydrophobicContact CE1-CB 4.17Å; F161-E178 HydrophobicContact CE1-CG 4.08Å; E178-R180 HydrophobicContact CB-CG 3.99Å; E178-R180 PolarHBondContact O-N 3.25Å; E178-R180 VanDerWaalsContact O-N 3.13Å; E178-R180 IonicContact OE1-CZ 3.9Å; E178-R180 IonicContact OE1-NE 2.76Å; E178-R180 IonicContact OE1-NH2 3.96Å; E178-R180 PolarHBondContact OE1-NH2 3.26Å; E178-R180 IonicContact OE2-CZ 2.58Å; E178-R180 IonicContact OE2-NE 3.9Å; E178-R180 PolarHBondContact OE2-NE 2.73Å; E178-R180 IonicContact OE2-NH2 3.25Å; E178-R180 PolarHBondContact OE2-NH2 2.77Å; E178-F181 WeakPolarHBondContact O-CB 3.07Å; E178-F181 PolarHBondContact O-N 2.79Å
179	P	86.1	Confident	90.6	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-54	-32.5	179.4	-29.8	37.6	0	0	0	114.2	C160 F161 F181 Y182 T183 I222 W224	C160-P179 HydrophobicContact CB-CG 3.94Å; F161-P179 HydrophobicContact CE1-CG 4.21Å; F161-P179 HydrophobicContact CE2-CG 3.69Å; F161-P179 HydrophobicContact CZ-CG 3.41Å; F161-P179 VanDerWaalsContact CZ-CG 3.41Å; P179-F181 PolarHBondContact O-N 3.18Å; P179-Y182 PolarHBondContact O-N 3.44Å; P179-T183 PolarHBondContact O-N 3.22Å; P179-T183 VanDerWaalsContact O-N 3.09Å; P179-T183 PolarHBondContact O-OG1 3.31Å; P179-T183 VanDerWaalsContact O-OG1 3.08Å; P179-I222 HydrophobicContact CB-CD1 4.11Å; P179-I222 HydrophobicContact CG-CD1 3.37Å; P179-W224 HydrophobicContact CB-CH2 4.25Å; P179-W224 HydrophobicContact CB-CZ2 3.79Å
180	R	81.1	Confident	90.5	Very high	144 Å²	144	57.9 Å²	57.9	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-28	177.9	66.5	176.3	175.1	110.7	7	113.1	E178 K184	E178-R180 HydrophobicContact CB-CG 3.99Å; E178-R180 PolarHBondContact O-N 3.25Å; E178-R180 VanDerWaalsContact O-N 3.13Å; E178-R180 IonicContact OE1-CZ 3.9Å; E178-R180 IonicContact OE1-NE 2.76Å; E178-R180 IonicContact OE1-NH2 3.96Å; E178-R180 PolarHBondContact OE1-NH2 3.26Å; E178-R180 IonicContact OE2-CZ 2.58Å; E178-R180 IonicContact OE2-NE 3.9Å; E178-R180 PolarHBondContact OE2-NE 2.73Å; E178-R180 IonicContact OE2-NH2 3.25Å; E178-R180 PolarHBondContact OE2-NH2 2.77Å; R180-K184 WeakPolarHBondContact O-CB 3.26Å; R180-K184 PolarHBondContact O-N 3.48Å
181	F	90.6	Very high	90.5	Very high	42 Å²	42	50.3 Å²	50.3	18%	0.184	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-54.6	175.6	173.5	-89.2	0	0	0	110.8	D134 V137 R177 E178 P179 T183 K184 V185	D134-F181 HydrophobicContact CB-CE2 3.82Å; D134-F181 HydrophobicContact CB-CZ 3.74Å; V137-F181 HydrophobicContact CB-CE1 4.02Å; V137-F181 HydrophobicContact CB-CZ 4.29Å; V137-F181 HydrophobicContact CG1-CE1 3.85Å; V137-F181 HydrophobicContact CG1-CZ 4.49Å; V137-F181 HydrophobicContact CG2-CE1 4.34Å; R177-F181 HydrophobicContact CB-CB 4.25Å; R177-F181 HydrophobicContact CB-CD1 4.46Å; R177-F181 HydrophobicContact CB-CG 4.5Å; R177-F181 HydrophobicContact CG-CD1 4.37Å; E178-F181 WeakPolarHBondContact O-CB 3.07Å; E178-F181 PolarHBondContact O-N 2.79Å; P179-F181 PolarHBondContact O-N 3.18Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.65Å; F181-K184 PolarHBondContact O-N 2.76Å; F181-V185 HydrophobicContact CD1-CG2 4.36Å; F181-V185 HydrophobicContact CD2-CG2 4.45Å; F181-V185 HydrophobicContact CE1-CG2 3.98Å; F181-V185 HydrophobicContact CE2-CG2 4.06Å; F181-V185 HydrophobicContact CZ-CG2 3.8Å; F181-V185 WeakPolarHBondContact O-CG2 3.35Å; F181-V185 PolarHBondContact O-N 3.43Å
182	Y	93.2	Very high	90.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-43.2	-179	-62	-64.4	0	0	0	111.2	L129 V137 F156 E158 R177 P179 K184 V185 F186 W224	L129-Y182 HydrophobicContact CB-CD1 4.31Å; L129-Y182 HydrophobicContact CB-CE1 3.68Å; L129-Y182 HydrophobicContact CD1-CD1 3.98Å; L129-Y182 HydrophobicContact CD1-CE1 4.2Å; V137-Y182 HydrophobicContact CG1-CD1 4.42Å; F156-Y182 HydrophobicContact CE2-CD1 4.34Å; F156-Y182 HydrophobicContact CE2-CG 4.15Å; E158-Y182 HydrophobicContact CB-CE2 4.01Å; E158-Y182 HydrophobicContact CG-CE1 4.2Å; E158-Y182 HydrophobicContact CG-CE2 4.22Å; R177-Y182 HydrophobicContact CB-CE2 3.88Å; R177-Y182 PolarHBondContact NH1-OH 3.1Å; P179-Y182 PolarHBondContact O-N 3.44Å; Y182-K184 PolarHBondContact O-N 3.01Å; Y182-V185 PolarHBondContact O-N 3.18Å; Y182-F186 WeakPolarHBondContact O-CD2 3.11Å; Y182-F186 PolarHBondContact O-N 2.92Å; Y182-F186 VanDerWaalsContact O-N 3.13Å; Y182-W224 AromaticContact CD2-CH2 3.57Å; Y182-W224 HydrophobicContact CD2-CH2 3.57Å; Y182-W224 HydrophobicContact CD2-CZ2 4.04Å; Y182-W224 HydrophobicContact CD2-CZ3 4.12Å; Y182-W224 HydrophobicContact CE2-CH2 4.38Å; Y182-W224 HydrophobicContact CG-CH2 4.2Å; Y182-W224 HydrophobicContact CG-CZ2 4.41Å
183	T	86	Confident	90	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-51.1	176.2	-63.4	0	0	0	0	111.7	P179 F181 Q187 M203 W224 V315	P179-T183 PolarHBondContact O-N 3.22Å; P179-T183 VanDerWaalsContact O-N 3.09Å; P179-T183 PolarHBondContact O-OG1 3.31Å; P179-T183 VanDerWaalsContact O-OG1 3.08Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 2.65Å; T183-Q187 WeakPolarHBondContact O-CB 3.38Å; T183-Q187 PolarHBondContact O-N 2.66Å; T183-M203 HydrophobicContact CG2-CE 3.6Å; T183-W224 PolarHBondContact OG1-NE1 3.03Å; T183-V315 HydrophobicContact CG2-CG1 3.2Å
184	K	84.7	Confident	89.4	Confident	123 Å²	123	60.1 Å²	60.1	54%	0.535	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-51.7	179.4	-178.4	-177	177.1	-173.6	0	111.9	R180 F181 Y182 F186 Q187 E188	R180-K184 WeakPolarHBondContact O-CB 3.26Å; R180-K184 PolarHBondContact O-N 3.48Å; F181-K184 PolarHBondContact O-N 2.76Å; Y182-K184 PolarHBondContact O-N 3.01Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.04Å; K184-Q187 PolarHBondContact O-N 3.35Å; K184-E188 VanDerWaalsContact CE-CD 3.45Å; K184-E188 WeakPolarHBondContact CE-OE1 3.2Å; K184-E188 WeakPolarHBondContact CE-OE2 3.37Å; K184-E188 HydrophobicContact CG-CG 4.31Å; K184-E188 IonicContact NZ-OE1 3.62Å; K184-E188 WeakPolarHBondContact O-CB 3.21Å; K184-E188 WeakPolarHBondContact O-CG 3.31Å; K184-E188 PolarHBondContact O-N 3.44Å
185	V	92.6	Very high	88.9	Confident	13 Å²	13	64.2 Å²	64.2	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-45.4	-175.6	169.8	0	0	0	0	111.6	V137 E138 A141 F181 Y182 C189	V137-V185 HydrophobicContact CG1-CG1 4.2Å; E138-V185 HydrophobicContact CB-CG1 4.47Å; E138-V185 HydrophobicContact CG-CG1 4.21Å; E138-V185 HydrophobicContact CG-CG2 4.17Å; A141-V185 HydrophobicContact CB-CG1 3.79Å; F181-V185 HydrophobicContact CD1-CG2 4.36Å; F181-V185 HydrophobicContact CD2-CG2 4.45Å; F181-V185 HydrophobicContact CE1-CG2 3.98Å; F181-V185 HydrophobicContact CE2-CG2 4.06Å; F181-V185 HydrophobicContact CZ-CG2 3.8Å; F181-V185 WeakPolarHBondContact O-CG2 3.35Å; F181-V185 PolarHBondContact O-N 3.43Å; Y182-V185 PolarHBondContact O-N 3.18Å; V185-C189 PolarHBondContact O-SG 3.09Å
186	F	92.9	Very high	88.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-75.7	-32	-179.8	-79.7	-102.5	0	0	0	112.6	L129 V137 A141 M144 I154 F156 Y182 K184 C189 L201 W226	L129-F186 HydrophobicContact CD1-CE2 3.61Å; L129-F186 HydrophobicContact CD1-CZ 3.77Å; V137-F186 HydrophobicContact CG1-CE2 4.36Å; A141-F186 HydrophobicContact CB-CD1 4.1Å; A141-F186 HydrophobicContact CB-CD2 4.07Å; A141-F186 HydrophobicContact CB-CE1 3.93Å; A141-F186 HydrophobicContact CB-CE2 3.91Å; A141-F186 HydrophobicContact CB-CG 4.18Å; A141-F186 HydrophobicContact CB-CZ 3.84Å; M144-F186 HydrophobicContact SD-CE1 3.74Å; M144-F186 HydrophobicContact SD-CZ 3.86Å; I154-F186 HydrophobicContact CG2-CE1 4.16Å; F156-F186 HydrophobicContact CD1-CD1 4.44Å; F156-F186 AromaticContact CD1-CE1 3.92Å; F156-F186 HydrophobicContact CD1-CE1 3.92Å; F156-F186 HydrophobicContact CD1-CE2 4.23Å; F156-F186 AromaticContact CD1-CZ 3.8Å; F156-F186 HydrophobicContact CD1-CZ 3.8Å; F156-F186 AromaticContact CE1-CD1 3.67Å; F156-F186 HydrophobicContact CE1-CD1 3.67Å; F156-F186 AromaticContact CE1-CD2 3.67Å; F156-F186 HydrophobicContact CE1-CD2 3.67Å; F156-F186 AromaticContact CE1-CE1 3.54Å; F156-F186 HydrophobicContact CE1-CE1 3.54Å; F156-F186 AromaticContact CE1-CE2 3.53Å; F156-F186 HydrophobicContact CE1-CE2 3.53Å; F156-F186 AromaticContact CE1-CG 3.74Å; F156-F186 HydrophobicContact CE1-CG 3.74Å; F156-F186 AromaticContact CE1-CZ 3.47Å; F156-F186 HydrophobicContact CE1-CZ 3.47Å; F156-F186 VanDerWaalsContact CE1-CZ 3.47Å; F156-F186 HydrophobicContact CZ-CD1 4.48Å; F156-F186 AromaticContact CZ-CD2 3.71Å; F156-F186 HydrophobicContact CZ-CD2 3.71Å; F156-F186 HydrophobicContact CZ-CE1 4.5Å; F156-F186 AromaticContact CZ-CE2 3.72Å; F156-F186 HydrophobicContact CZ-CE2 3.72Å; F156-F186 HydrophobicContact CZ-CG 4.11Å; F156-F186 HydrophobicContact CZ-CZ 4.13Å; Y182-F186 WeakPolarHBondContact O-CD2 3.11Å; Y182-F186 PolarHBondContact O-N 2.92Å; Y182-F186 VanDerWaalsContact O-N 3.13Å; K184-F186 VanDerWaalsContact C-N 3.33Å; K184-F186 PolarHBondContact O-N 3.04Å; F186-C189 WeakPolarHBondContact O-CB 3.45Å; F186-C189 PolarHBondContact O-N 2.65Å; F186-L201 HydrophobicContact CB-CD1 4.17Å; F186-L201 HydrophobicContact CD1-CD1 3.62Å; F186-L201 HydrophobicContact CG-CD1 4.37Å; F186-W226 HydrophobicContact CB-CD2 4.04Å; F186-W226 VanDerWaalsContact CB-CE2 3.46Å; F186-W226 HydrophobicContact CB-CH2 3.96Å; F186-W226 HydrophobicContact CB-CZ2 3.41Å; F186-W226 VanDerWaalsContact CB-CZ2 3.41Å; F186-W226 HydrophobicContact CB-CZ3 4.48Å; F186-W226 HydrophobicContact CG-CZ2 4.42Å; F186-W226 AromaticContact CG-NE1 3.94Å
187	Q	84.5	Confident	88	Confident	62 Å²	62	64.8 Å²	64.8	29%	0.29	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-33.1	176.6	-170.4	59.7	70.5	0	0	112.7	T183 K184 C189 L201 W226	T183-Q187 WeakPolarHBondContact O-CB 3.38Å; T183-Q187 PolarHBondContact O-N 2.66Å; K184-Q187 PolarHBondContact O-N 3.35Å; Q187-C189 VanDerWaalsContact C-N 3.27Å; Q187-C189 PolarHBondContact O-N 3.08Å; Q187-L201 PolarHBondContact NE2-O 3.32Å; Q187-W226 HydrophobicContact CB-CH2 4.01Å; Q187-W226 HydrophobicContact CB-CZ3 4.3Å
188	E	84.5	Confident	87.9	Confident	128 Å²	128	65.1 Å²	65.1	60%	0.598	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.1	178.2	-71.4	178.9	169.7	0	0	112.9	K184 Q190	K184-E188 VanDerWaalsContact CE-CD 3.45Å; K184-E188 WeakPolarHBondContact CE-OE1 3.2Å; K184-E188 WeakPolarHBondContact CE-OE2 3.37Å; K184-E188 HydrophobicContact CG-CG 4.31Å; K184-E188 IonicContact NZ-OE1 3.62Å; K184-E188 WeakPolarHBondContact O-CB 3.21Å; K184-E188 WeakPolarHBondContact O-CG 3.31Å; K184-E188 PolarHBondContact O-N 3.44Å; E188-Q190 PolarHBondContact O-N 2.92Å
189	C	87.9	Confident	88	Confident	8 Å²	8	62.4 Å²	62.4	5%	0.054	33%	0.329	C	S	.	.			trans	-68.4	124.7	179.4	-76.9	0	0	0	0	112.1	A141 I145 V185 F186 Q187 L201	A141-C189 WeakPolarHBondContact CB-SG 3.24Å; I145-C189 HydrophobicContact CD1-CB 4.26Å; I145-C189 HydrophobicContact CG2-CB 4.26Å; V185-C189 PolarHBondContact O-SG 3.09Å; F186-C189 WeakPolarHBondContact O-CB 3.45Å; F186-C189 PolarHBondContact O-N 2.65Å; Q187-C189 VanDerWaalsContact C-N 3.27Å; Q187-C189 PolarHBondContact O-N 3.08Å; C189-L201 HydrophobicContact CB-CD1 4.36Å
190	Q	87	Confident	88.2	Confident	135 Å²	135	63 Å²	63	63%	0.631	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.5	171.5	-64.2	-176	-2.7	0	0	110.1	E188 F199 E200	E188-Q190 PolarHBondContact O-N 2.92Å; Q190-F199 CarbonylContact C-O 3.54Å; Q190-F199 WeakPolarHBondContact CA-O 3.16Å; Q190-E200 HydrophobicContact CG-CB 4.42Å
191	T	91.1	Very high	88.6	Confident	33 Å²	33	56.1 Å²	56.1	20%	0.202	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.5	173.1	-168.6	0	0	0	0	110.3	I145 S198 F199	I145-T191 HydrophobicContact CD1-CG2 3.84Å; I145-T191 HydrophobicContact CG1-CG2 3.77Å; I145-T191 HydrophobicContact CG2-CG2 4.4Å; T191-S198 WeakPolarHBondContact O-CA 3.26Å; T191-F199 HydrophobicContact CG2-CB 3.84Å; T191-F199 HydrophobicContact CG2-CD2 4.44Å; T191-F199 PolarHBondContact N-O 2.93Å; T191-F199 PolarHBondContact O-N 2.85Å
192	R	89.1	Confident	88.3	Confident	176 Å²	176	54.4 Å²	54.4	66%	0.664	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	135.5	172.9	-69.5	179.7	-176.2	-103.3	-2.1	109.1	N197 S198	R192-N197 VanDerWaalsContact CA-O 3.25Å; R192-N197 WeakPolarHBondContact CA-O 3.43Å; R192-S198 PolarHBondContact NH1-OG 3.01Å; R192-S198 VanDerWaalsContact NH1-OG 3.08Å
193	D	87.4	Confident	87.9	Confident	58 Å²	58	54.5 Å²	54.5	31%	0.31	30%	0.299	S	S	.	.			trans	-76.8	174.2	170.8	72	13.9	0	0	0	111.6	S195 G196 N197 F199	D193-S195 PolarHBondContact O-N 2.9Å; D193-S195 VanDerWaalsContact O-N 3.15Å; D193-S195 VanDerWaalsContact OD1-CA 3.29Å; D193-S195 WeakPolarHBondContact OD1-CA 3.3Å; D193-S195 VanDerWaalsContact OD1-CB 3.29Å; D193-S195 WeakPolarHBondContact OD1-CB 3.21Å; D193-S195 PolarHBondContact OD1-N 2.99Å; D193-G196 PolarHBondContact O-N 2.94Å; D193-G196 PolarHBondContact OD1-N 2.74Å; D193-N197 PolarHBondContact N-O 3.23Å; D193-N197 PolarHBondContact OD1-N 3.05Å; D193-N197 PolarHBondContact OD1-ND2 3.13Å; D193-N197 WeakPolarHBondContact OD2-CB 3.16Å; D193-N197 PolarHBondContact OD2-ND2 2.92Å; D193-F199 HydrophobicContact CB-CE2 3.89Å
194	A	84.1	Confident	87.8	Confident	117 Å²	117	56.8 Å²	56.8	97%	0.967	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.5	178	0	0	0	0	0	113.8	G196	A194-G196 VanDerWaalsContact C-N 3.35Å
195	S	87.6	Confident	87.7	Confident	100 Å²	100	51 Å²	51	70%	0.699	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.7	176	-53.7	0	0	0	0	112.4	D193	D193-S195 PolarHBondContact O-N 2.9Å; D193-S195 VanDerWaalsContact O-N 3.15Å; D193-S195 VanDerWaalsContact OD1-CA 3.29Å; D193-S195 WeakPolarHBondContact OD1-CA 3.3Å; D193-S195 VanDerWaalsContact OD1-CB 3.29Å; D193-S195 WeakPolarHBondContact OD1-CB 3.21Å; D193-S195 PolarHBondContact OD1-N 2.99Å
196	G	87.5	Confident	87.3	Confident	39 Å²	39	50.5 Å²	50.5	40%	0.402	29%	0.286	S	S	.	.			trans	87.8	0.6	-178.6	0	0	0	0	0	114.7	D193 A194 S198	D193-G196 PolarHBondContact O-N 2.94Å; D193-G196 PolarHBondContact OD1-N 2.74Å; A194-G196 VanDerWaalsContact C-N 3.35Å; G196-S198 PolarHBondContact O-N 3.39Å
197	N	88.3	Confident	87	Confident	76 Å²	76	51.9 Å²	51.9	41%	0.406	29%	0.292	S	S	.	.			trans	-67.1	131.6	177.5	-55.6	-50.8	0	0	0	109.1	R192 D193 F199	R192-N197 VanDerWaalsContact CA-O 3.25Å; R192-N197 WeakPolarHBondContact CA-O 3.43Å; D193-N197 PolarHBondContact N-O 3.23Å; D193-N197 PolarHBondContact OD1-N 3.05Å; D193-N197 PolarHBondContact OD1-ND2 3.13Å; D193-N197 WeakPolarHBondContact OD2-CB 3.16Å; D193-N197 PolarHBondContact OD2-ND2 2.92Å; N197-F199 HydrophobicContact CB-CE2 3.71Å; N197-F199 HydrophobicContact CB-CZ 3.89Å; N197-F199 WeakPolarHBondContact O-CD2 3.3Å; N197-F199 WeakPolarHBondContact O-CE2 3.17Å
198	S	90.8	Very high	87.1	Confident	27 Å²	27	49 Å²	49	19%	0.189	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.5	-179.3	-55.2	0	0	0	0	110.3	T191 R192 G196 V231	T191-S198 WeakPolarHBondContact O-CA 3.26Å; R192-S198 PolarHBondContact NH1-OG 3.01Å; R192-S198 VanDerWaalsContact NH1-OG 3.08Å; G196-S198 PolarHBondContact O-N 3.39Å; S198-V231 WeakPolarHBondContact O-CG2 3.42Å; S198-V231 PolarHBondContact O-N 3.48Å
199	F	91.5	Very high	87.3	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.066	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.7	177.2	-57.8	-89.5	0	0	0	110.1	P150 Q190 T191 D193 N197 K228 V229	P150-F199 HydrophobicContact CB-CD1 4.24Å; P150-F199 HydrophobicContact CB-CE1 3.68Å; P150-F199 HydrophobicContact CB-CZ 4.32Å; P150-F199 HydrophobicContact CG-CD1 4.21Å; P150-F199 HydrophobicContact CG-CE1 3.56Å; P150-F199 HydrophobicContact CG-CE2 4.5Å; P150-F199 HydrophobicContact CG-CZ 3.73Å; Q190-F199 CarbonylContact C-O 3.54Å; Q190-F199 WeakPolarHBondContact CA-O 3.16Å; T191-F199 HydrophobicContact CG2-CB 3.84Å; T191-F199 HydrophobicContact CG2-CD2 4.44Å; T191-F199 PolarHBondContact N-O 2.93Å; T191-F199 PolarHBondContact O-N 2.85Å; D193-F199 HydrophobicContact CB-CE2 3.89Å; N197-F199 HydrophobicContact CB-CE2 3.71Å; N197-F199 HydrophobicContact CB-CZ 3.89Å; N197-F199 WeakPolarHBondContact O-CD2 3.3Å; N197-F199 WeakPolarHBondContact O-CE2 3.17Å; F199-K228 HydrophobicContact CB-CD 4.35Å; F199-K228 HydrophobicContact CB-CG 3.94Å; F199-K228 HydrophobicContact CD1-CG 4.32Å; F199-K228 HydrophobicContact CG-CG 4.37Å; F199-V229 WeakPolarHBondContact CA-O 3.36Å; F199-V229 WeakPolarHBondContact CB-O 3.43Å
200	E	90.4	Very high	87.2	Confident	16 Å²	16	43.7 Å²	43.7	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	178.2	172.2	74.4	-160.2	88.6	0	0	109.9	Q190 K228 V229 V231 R239	Q190-E200 HydrophobicContact CG-CB 4.42Å; E200-K228 WeakPolarHBondContact O-CA 3.31Å; E200-V229 HydrophobicContact CG-CG2 3.99Å; E200-V229 PolarHBondContact N-O 3.35Å; E200-V229 PolarHBondContact O-N 3.43Å; E200-V231 WeakPolarHBondContact OE1-CA 3.36Å; E200-V231 WeakPolarHBondContact OE1-CG2 3.46Å; E200-R239 IonicContact OE1-CZ 2.75Å; E200-R239 VanDerWaalsContact OE1-CZ 3.3Å; E200-R239 IonicContact OE1-NE 3.4Å; E200-R239 IonicContact OE1-NH1 3.48Å; E200-R239 IonicContact OE1-NH2 3.49Å; E200-R239 PolarHBondContact OE1-NH2 2.75Å; E200-R239 IonicContact OE2-CZ 2.73Å; E200-R239 IonicContact OE2-NE 2.73Å; E200-R239 PolarHBondContact OE2-NE 3.04Å; E200-R239 IonicContact OE2-NH2 3.57Å; E200-R239 PolarHBondContact OE2-NH2 3.21Å
201	L	89.4	Confident	87.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.4	171	-63	179.6	0	0	0	110.5	I145 I154 F186 Q187 C189 W226 K228	I145-L201 HydrophobicContact CB-CD1 4.45Å; I145-L201 HydrophobicContact CB-CD2 4.24Å; I145-L201 HydrophobicContact CB-CG 4.28Å; I145-L201 HydrophobicContact CD1-CD2 4.25Å; I145-L201 HydrophobicContact CD1-CG 3.97Å; I145-L201 HydrophobicContact CG1-CD2 3.86Å; I145-L201 HydrophobicContact CG1-CG 4.03Å; I154-L201 HydrophobicContact CD1-CD1 3.74Å; I154-L201 HydrophobicContact CD1-CD2 3.75Å; I154-L201 HydrophobicContact CD1-CG 4.43Å; F186-L201 HydrophobicContact CB-CD1 4.17Å; F186-L201 HydrophobicContact CD1-CD1 3.62Å; F186-L201 HydrophobicContact CG-CD1 4.37Å; Q187-L201 PolarHBondContact NE2-O 3.32Å; C189-L201 HydrophobicContact CB-CD1 4.36Å; L201-W226 HydrophobicContact CB-CB 4.24Å; L201-W226 HydrophobicContact CB-CD2 4.23Å; L201-W226 HydrophobicContact CB-CE3 3.66Å; L201-W226 HydrophobicContact CB-CG 4.5Å; L201-W226 HydrophobicContact CB-CZ3 4.35Å; L201-W226 HydrophobicContact CD1-CB 4.34Å; L201-W226 HydrophobicContact CD1-CG 4.42Å; L201-W226 HydrophobicContact CD2-CB 4.31Å; L201-K228 HydrophobicContact CD2-CB 4.22Å
202	S	83.7	Confident	87.4	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.4	168.1	-178.4	0	0	0	0	110.1	V204 W226 Q227 K235	S202-V204 PolarHBondContact O-N 3Å; S202-W226 CarbonylContact O-C 3.55Å; S202-W226 WeakPolarHBondContact O-CA 3.46Å; S202-Q227 PolarHBondContact N-O 3.19Å; S202-Q227 PolarHBondContact O-N 3.14Å; S202-K235 WeakPolarHBondContact OG-CD 3.41Å; S202-K235 VanDerWaalsContact OG-CE 3.26Å; S202-K235 WeakPolarHBondContact OG-CE 3.45Å; S202-K235 PolarHBondContact OG-NZ 3.34Å
203	M	84.7	Confident	87	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.2	175.3	-161.2	-178.9	-67	0	0	109.6	T183 C206 W226 K235 V315 V336	T183-M203 HydrophobicContact CG2-CE 3.6Å; M203-C206 HydrophobicContact SD-CB 3.49Å; M203-C206 WeakPolarHBondContact SD-CB 3.33Å; M203-W226 HydrophobicContact CB-CD2 4.41Å; M203-W226 HydrophobicContact CB-CE3 3.83Å; M203-W226 HydrophobicContact CB-CH2 4.01Å; M203-W226 HydrophobicContact CB-CZ3 3.61Å; M203-W226 HydrophobicContact CE-CH2 3.22Å; M203-W226 HydrophobicContact CE-CZ2 3.32Å; M203-W226 HydrophobicContact CE-CZ3 4.05Å; M203-W226 HydrophobicContact CG-CE3 4.4Å; M203-W226 HydrophobicContact CG-CH2 4.32Å; M203-W226 HydrophobicContact CG-CZ2 4.42Å; M203-W226 HydrophobicContact CG-CZ3 4.31Å; M203-W226 VanDerWaalsContact N-CE3 3.31Å; M203-K235 PolarHBondContact O-NZ 2.93Å; M203-V315 HydrophobicContact CB-CG2 4.15Å; M203-V315 HydrophobicContact CE-CG1 3.6Å; M203-V315 HydrophobicContact CE-CG2 4.21Å; M203-V315 HydrophobicContact SD-CG1 4.18Å; M203-V315 HydrophobicContact SD-CG2 4.06Å; M203-V336 HydrophobicContact SD-CB 4.15Å; M203-V336 HydrophobicContact SD-CG1 4.42Å; M203-V336 HydrophobicContact SD-CG2 3.76Å
204	V	83.6	Confident	86.9	Confident	58 Å²	58	32.2 Å²	32.2	35%	0.352	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-24.3	176.6	179.7	0	0	0	0	111.1	Y153 S202 I225 Q227	Y153-V204 HydrophobicContact CE1-CG2 4.31Å; S202-V204 PolarHBondContact O-N 3Å; V204-I225 HydrophobicContact CB-CB 4.36Å; V204-I225 HydrophobicContact CB-CG2 4.03Å; V204-I225 HydrophobicContact CG1-CG2 4.42Å; V204-I225 PolarHBondContact N-O 2.83Å; V204-Q227 HydrophobicContact CG2-CB 3.6Å
205	G	82.4	Confident	87.1	Confident	3 Å²	3	29.1 Å²	29.1	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	147.8	174.1	0	0	0	0	0	111.7	W224 I225	G205-W224 CarbonylContact O-C 3.43Å; G205-W224 WeakPolarHBondContact O-CA 3.3Å; G205-I225 PolarHBondContact N-O 2.68Å; G205-I225 PolarHBondContact O-N 3.18Å
206	C	85.7	Confident	87	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	118.2	169.4	175	0	0	0	0	107.3	M203 C223 W224 E335 V336	M203-C206 HydrophobicContact SD-CB 3.49Å; M203-C206 WeakPolarHBondContact SD-CB 3.33Å; C206-C223 VanDerWaalsContact CA-O 3.26Å; C206-C223 WeakPolarHBondContact CA-O 3.41Å; C206-W224 PolarHBondContact SG-NE1 3.15Å; C206-W224 VanDerWaalsContact SG-NE1 3.45Å; C206-E335 WeakPolarHBondContact O-CA 3.5Å; C206-V336 HydrophobicContact CB-CG2 4.16Å
207	K	85.7	Confident	86.8	Confident	28 Å²	28	31.8 Å²	31.8	12%	0.122	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.2	-178.5	70	171.4	-71.2	153.3	0	112.8	L48 I222 C223 E333 F334 E335	L48-K207 HydrophobicContact CD1-CD 4.41Å; L48-K207 HydrophobicContact CD2-CD 3.94Å; K207-I222 WeakPolarHBondContact O-CA 3.46Å; K207-C223 PolarHBondContact N-O 3.5Å; K207-C223 PolarHBondContact O-N 2.85Å; K207-C223 PolarHBondContact O-SG 2.71Å; K207-E333 IonicContact NZ-OE2 2.91Å; K207-E333 PolarHBondContact NZ-OE2 2.82Å; K207-F334 WeakPolarHBondContact CA-O 3.34Å; K207-F334 WeakPolarHBondContact CB-O 3.43Å; K207-E335 HydrophobicContact CB-CB 4.49Å
208	C	86.4	Confident	86.3	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151.9	169.2	64.1	0	0	0	0	112.1	G210 V213 Q219 Q221	C208-G210 PolarHBondContact O-N 3.03Å; C208-V213 HydrophobicContact CB-CG2 4.33Å; C208-Q219 HydrophobicContact CB-CB 4.02Å; C208-Q219 WeakPolarHBondContact CB-O 3.33Å; C208-Q221 CarbonylContact C-O 3.51Å; C208-Q221 WeakPolarHBondContact CA-O 3.42Å
209	I	89.6	Confident	85.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.			trans	-80.1	109.7	173.1	-55.9	-56.5	0	0	0	108.9	E41 E44 V45 L48 R157 A211 Y212 V213 Q221 C223	E41-I209 HydrophobicContact CB-CG2 4.29Å; E44-I209 VanDerWaalsContact OE2-CG2 3.26Å; E44-I209 WeakPolarHBondContact OE2-CG2 3.49Å; V45-I209 HydrophobicContact CG2-CD1 4.17Å; L48-I209 HydrophobicContact CD1-CD1 3.95Å; R157-I209 HydrophobicContact CG-CD1 4.27Å; R157-I209 HydrophobicContact CG-CG1 4.01Å; I209-A211 VanDerWaalsContact C-N 3.29Å; I209-A211 HydrophobicContact CG2-CB 4.26Å; I209-A211 PolarHBondContact O-N 3.15Å; I209-Y212 HydrophobicContact CB-CD2 4.33Å; I209-Y212 HydrophobicContact CG2-CD2 3.94Å; I209-Y212 WeakPolarHBondContact O-CB 3.38Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-V213 PolarHBondContact O-N 3.44Å; I209-Q221 HydrophobicContact CB-CB 4Å; I209-Q221 HydrophobicContact CG1-CB 4.1Å; I209-Q221 PolarHBondContact N-O 2.89Å; I209-C223 HydrophobicContact CD1-CB 4.09Å
210	G	85.8	Confident	85.7	Confident	26 Å²	26	27.5 Å²	27.5	27%	0.268	14%	0.141	S	C	.	.	H	α-helix	trans	-57.9	-34.1	-175.7	0	0	0	0	0	113.9	E44 C208 Y212 V213 K214	E44-G210 VanDerWaalsContact CD-N 3.35Å; E44-G210 WeakPolarHBondContact OE1-CA 3.22Å; E44-G210 PolarHBondContact OE1-N 2.97Å; E44-G210 PolarHBondContact OE2-N 3.08Å; C208-G210 PolarHBondContact O-N 3.03Å; G210-Y212 PolarHBondContact O-N 3.43Å; G210-V213 WeakPolarHBondContact O-CB 3.25Å; G210-V213 PolarHBondContact O-N 3.02Å; G210-V213 VanDerWaalsContact O-N 3.15Å; G210-K214 WeakPolarHBondContact O-CB 3.38Å; G210-K214 PolarHBondContact O-N 3.24Å
211	A	91	Very high	85.8	Confident	6 Å²	6	26.7 Å²	26.7	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-37	172.7	0	0	0	0	0	111.9	E40 E41 E44 I209 N215	E40-A211 HydrophobicContact CB-CB 3.89Å; E41-A211 HydrophobicContact CB-CB 3.65Å; E44-A211 WeakPolarHBondContact OE2-CB 3.26Å; E44-A211 PolarHBondContact OE2-N 2.83Å; I209-A211 VanDerWaalsContact C-N 3.29Å; I209-A211 HydrophobicContact CG2-CB 4.26Å; I209-A211 PolarHBondContact O-N 3.15Å; A211-N215 VanDerWaalsContact O-CB 3.31Å; A211-N215 WeakPolarHBondContact O-CB 3.03Å; A211-N215 PolarHBondContact O-N 3.06Å; A211-N215 PolarHBondContact O-ND2 3.11Å
212	Y	89.7	Confident	85.8	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-78	-35.1	176.9	-81.8	-102.3	0	0	0	112.6	M29 L37 E41 W127 S164 I209 G210 K214 N215 K216 K217 Q221	M29-Y212 WeakPolarHBondContact CE-OH 3.33Å; L37-Y212 HydrophobicContact CD1-CE1 4.21Å; L37-Y212 HydrophobicContact CD2-CD1 4.47Å; L37-Y212 HydrophobicContact CD2-CE1 4.34Å; L37-Y212 HydrophobicContact CD2-CE2 4.38Å; E41-Y212 HydrophobicContact CB-CD2 4.39Å; E41-Y212 HydrophobicContact CB-CE2 4.02Å; E41-Y212 HydrophobicContact CG-CE2 4.12Å; W127-Y212 HydrophobicContact CH2-CE2 4.49Å; W127-Y212 WeakPolarHBondContact CH2-OH 3.3Å; W127-Y212 HydrophobicContact CZ2-CE2 4.29Å; W127-Y212 AromaticContact CZ2-CZ 3.86Å; W127-Y212 VanDerWaalsContact CZ2-OH 3.27Å; W127-Y212 WeakPolarHBondContact CZ2-OH 3.37Å; S164-Y212 WeakPolarHBondContact OG-CE1 3.48Å; I209-Y212 HydrophobicContact CB-CD2 4.33Å; I209-Y212 HydrophobicContact CG2-CD2 3.94Å; I209-Y212 WeakPolarHBondContact O-CB 3.38Å; I209-Y212 PolarHBondContact O-N 2.88Å; G210-Y212 PolarHBondContact O-N 3.43Å; Y212-K214 VanDerWaalsContact C-N 3.3Å; Y212-K214 PolarHBondContact O-N 3.48Å; Y212-N215 PolarHBondContact O-N 3.18Å; Y212-K216 HydrophobicContact CD1-CB 4.45Å; Y212-K216 HydrophobicContact CD1-CG 3.77Å; Y212-K216 HydrophobicContact CE1-CG 4.35Å; Y212-K216 WeakPolarHBondContact O-CA 3.27Å; Y212-K216 VanDerWaalsContact O-CB 3.3Å; Y212-K216 WeakPolarHBondContact O-CB 3.21Å; Y212-K216 PolarHBondContact O-N 3.37Å; Y212-K217 PolarHBondContact O-N 3.45Å; Y212-Q221 HydrophobicContact CD1-CB 4.43Å; Y212-Q221 HydrophobicContact CD1-CG 3.31Å; Y212-Q221 HydrophobicContact CD2-CB 4.27Å; Y212-Q221 HydrophobicContact CD2-CG 3.88Å; Y212-Q221 HydrophobicContact CE1-CG 3.83Å; Y212-Q221 HydrophobicContact CE2-CG 4.35Å; Y212-Q221 HydrophobicContact CG-CB 3.99Å; Y212-Q221 HydrophobicContact CG-CG 3.32Å
213	V	82.3	Confident	86.3	Confident	32 Å²	32	26.5 Å²	26.5	19%	0.194	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-48.2	170.7	-176.3	0	0	0	0	109.9	C208 I209 G210 K217 N218 Q219	C208-V213 HydrophobicContact CB-CG2 4.33Å; I209-V213 PolarHBondContact O-N 3.44Å; G210-V213 WeakPolarHBondContact O-CB 3.25Å; G210-V213 PolarHBondContact O-N 3.02Å; G210-V213 VanDerWaalsContact O-N 3.15Å; V213-K217 VanDerWaalsContact O-CA 3.3Å; V213-K217 WeakPolarHBondContact O-CA 3.34Å; V213-K217 PolarHBondContact O-N 3.05Å; V213-K217 VanDerWaalsContact O-N 3.14Å; V213-N218 WeakPolarHBondContact CA-O 3.14Å; V213-N218 PolarHBondContact N-O 3.49Å; V213-Q219 HydrophobicContact CG2-CB 4.49Å; V213-Q219 HydrophobicContact CG2-CG 4.04Å
214	K	84.2	Confident	86.7	Confident	119 Å²	119	26.4 Å²	26.4	52%	0.517	14%	0.136	S	C	.	.	H	α-helix	trans	-63.4	-48.2	179.7	-176.2	-176.7	167.3	-155.7	0	112.7	E40 G210 Y212 K217	E40-K214 IonicContact OE1-NZ 3.77Å; E40-K214 PolarHBondContact OE1-NZ 2.89Å; E40-K214 WeakPolarHBondContact OE2-CD 3.46Å; E40-K214 IonicContact OE2-NZ 3.84Å; E40-K214 PolarHBondContact OE2-NZ 3.29Å; E40-K214 VanDerWaalsContact OE2-NZ 3.07Å; G210-K214 WeakPolarHBondContact O-CB 3.38Å; G210-K214 PolarHBondContact O-N 3.24Å; Y212-K214 VanDerWaalsContact C-N 3.3Å; Y212-K214 PolarHBondContact O-N 3.48Å; K214-K217 VanDerWaalsContact O-CE 3.29Å; K214-K217 WeakPolarHBondContact O-CE 3.24Å; K214-K217 PolarHBondContact O-NZ 2.88Å
215	N	87.8	Confident	87.2	Confident	51 Å²	51	24.6 Å²	24.6	27%	0.273	12%	0.124	S	C	.	.	H	α-helix	trans	-91.5	-33.4	-169.9	-72	-73.3	0	0	0	114.4	L37 E40 A211 Y212	L37-N215 HydrophobicContact CD2-CB 3.59Å; E40-N215 PolarHBondContact OE2-ND2 2.55Å; A211-N215 VanDerWaalsContact O-CB 3.31Å; A211-N215 WeakPolarHBondContact O-CB 3.03Å; A211-N215 PolarHBondContact O-N 3.06Å; A211-N215 PolarHBondContact O-ND2 3.11Å; Y212-N215 PolarHBondContact O-N 3.18Å
216	K	87	Confident	87.7	Confident	53 Å²	53	24.5 Å²	24.5	23%	0.23	12%	0.122	C	C	.	.	H	α-helix	trans	-110.7	-4.6	-173.8	-56.9	-70.9	-66.8	-162	0	113.4	D31 L37 S164 Y212 N218	D31-K216 IonicContact OD2-NZ 2.65Å; D31-K216 PolarHBondContact OD2-NZ 3.43Å; L37-K216 HydrophobicContact CD1-CD 4.46Å; L37-K216 HydrophobicContact CD2-CG 4.35Å; S164-K216 WeakPolarHBondContact O-CE 3.47Å; S164-K216 PolarHBondContact O-NZ 2.84Å; Y212-K216 HydrophobicContact CD1-CB 4.45Å; Y212-K216 HydrophobicContact CD1-CG 3.77Å; Y212-K216 HydrophobicContact CE1-CG 4.35Å; Y212-K216 WeakPolarHBondContact O-CA 3.27Å; Y212-K216 VanDerWaalsContact O-CB 3.3Å; Y212-K216 WeakPolarHBondContact O-CB 3.21Å; Y212-K216 PolarHBondContact O-N 3.37Å; K216-N218 WeakPolarHBondContact CB-ND2 3.45Å; K216-N218 PolarHBondContact O-N 2.91Å; K216-N218 PolarHBondContact O-ND2 2.76Å; K216-N218 VanDerWaalsContact O-ND2 3.13Å
217	K	81.9	Confident	88	Confident	143 Å²	143	26.6 Å²	26.6	62%	0.622	13%	0.132	S	C	*	.	S	Bend	trans	54.6	38	176.6	-50.2	-53.9	-173.5	-169.6	0	112.6	Y212 V213 K214	Y212-K217 PolarHBondContact O-N 3.45Å; V213-K217 VanDerWaalsContact O-CA 3.3Å; V213-K217 WeakPolarHBondContact O-CA 3.34Å; V213-K217 PolarHBondContact O-N 3.05Å; V213-K217 VanDerWaalsContact O-N 3.14Å; K214-K217 VanDerWaalsContact O-CE 3.29Å; K214-K217 WeakPolarHBondContact O-CE 3.24Å; K214-K217 PolarHBondContact O-NZ 2.88Å
218	N	79	Confident	88.4	Confident	19 Å²	19	25.9 Å²	25.9	10%	0.102	13%	0.129	C	C	.	.			trans	-147.6	161.7	172.2	68	74.8	0	0	0	109.9	V213 K216 N220	V213-N218 WeakPolarHBondContact CA-O 3.14Å; V213-N218 PolarHBondContact N-O 3.49Å; K216-N218 WeakPolarHBondContact CB-ND2 3.45Å; K216-N218 PolarHBondContact O-N 2.91Å; K216-N218 PolarHBondContact O-ND2 2.76Å; K216-N218 VanDerWaalsContact O-ND2 3.13Å; N218-N220 WeakPolarHBondContact OD1-CB 3.28Å; N218-N220 PolarHBondContact OD1-N 3.21Å
219	Q	81.3	Confident	88.5	Confident	6 Å²	6	26.7 Å²	26.7	3%	0.028	13%	0.134	C	C	.	.			trans	-109.7	20.5	-174.3	-54	-173.1	1.8	0	0	112.4	C208 V213 Q221 I222 V332	C208-Q219 HydrophobicContact CB-CB 4.02Å; C208-Q219 WeakPolarHBondContact CB-O 3.33Å; V213-Q219 HydrophobicContact CG2-CB 4.49Å; V213-Q219 HydrophobicContact CG2-CG 4.04Å; Q219-Q221 VanDerWaalsContact C-N 3.27Å; Q219-Q221 PolarHBondContact O-N 3.2Å; Q219-I222 WeakPolarHBondContact O-CG1 3.43Å; Q219-V332 PolarHBondContact NE2-O 2.9Å
220	N	88.2	Confident	88.4	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.011	14%	0.141	C	C	.	.			trans	-82.9	-6.5	-165.7	-62.1	1.6	0	0	0	113.6	C160 F161 H162 N218 I222	C160-N220 PolarHBondContact N-O 3.09Å; C160-N220 WeakPolarHBondContact O-CB 3.32Å; F161-N220 HydrophobicContact CD2-CB 4.36Å; H162-N220 PolarHBondContact CE1-ND2 3.09Å; H162-N220 PolarHBondContact NE2-ND2 2.8Å; N218-N220 WeakPolarHBondContact OD1-CB 3.28Å; N218-N220 PolarHBondContact OD1-N 3.21Å; N220-I222 PolarHBondContact O-N 2.65Å
221	Q	91.8	Very high	88	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	99.5	174.7	-64.9	-54.8	-61	0	0	108.2	R157 S159 S164 C208 I209 Y212 Q219	R157-Q221 VanDerWaalsContact NH2-OE1 3.12Å; S159-Q221 PolarHBondContact OG-NE2 2.93Å; S159-Q221 PolarHBondContact OG-OE1 3.08Å; S164-Q221 VanDerWaalsContact CB-NE2 3.28Å; C208-Q221 CarbonylContact C-O 3.51Å; C208-Q221 WeakPolarHBondContact CA-O 3.42Å; I209-Q221 HydrophobicContact CB-CB 4Å; I209-Q221 HydrophobicContact CG1-CB 4.1Å; I209-Q221 PolarHBondContact N-O 2.89Å; Y212-Q221 HydrophobicContact CD1-CB 4.43Å; Y212-Q221 HydrophobicContact CD1-CG 3.31Å; Y212-Q221 HydrophobicContact CD2-CB 4.27Å; Y212-Q221 HydrophobicContact CD2-CG 3.88Å; Y212-Q221 HydrophobicContact CE1-CG 3.83Å; Y212-Q221 HydrophobicContact CE2-CG 4.35Å; Y212-Q221 HydrophobicContact CG-CB 3.99Å; Y212-Q221 HydrophobicContact CG-CG 3.32Å; Q219-Q221 VanDerWaalsContact C-N 3.27Å; Q219-Q221 PolarHBondContact O-N 3.2Å
222	I	90.1	Very high	87	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.2	-170.7	-62.2	164	0	0	0	108.5	R157 E158 C160 F161 P179 K207 Q219 N220 W224	R157-I222 CarbonylContact C-O 3.52Å; R157-I222 VanDerWaalsContact CA-O 3.27Å; R157-I222 WeakPolarHBondContact CA-O 3.16Å; E158-I222 PolarHBondContact N-O 3.17Å; E158-I222 PolarHBondContact O-N 3.2Å; E158-I222 VanDerWaalsContact O-N 3.15Å; C160-I222 HydrophobicContact CB-CD1 4.15Å; F161-I222 HydrophobicContact CE2-CD1 4.35Å; P179-I222 HydrophobicContact CB-CD1 4.11Å; P179-I222 HydrophobicContact CG-CD1 3.37Å; K207-I222 WeakPolarHBondContact O-CA 3.46Å; Q219-I222 WeakPolarHBondContact O-CG1 3.43Å; N220-I222 PolarHBondContact O-N 2.65Å; I222-W224 HydrophobicContact CB-CH2 3.75Å; I222-W224 HydrophobicContact CB-CZ2 4.43Å; I222-W224 HydrophobicContact CB-CZ3 3.83Å; I222-W224 HydrophobicContact CG2-CD2 4.23Å; I222-W224 HydrophobicContact CG2-CE3 4.02Å; I222-W224 HydrophobicContact CG2-CH2 3.5Å; I222-W224 HydrophobicContact CG2-CZ2 3.72Å; I222-W224 HydrophobicContact CG2-CZ3 3.68Å; I222-W224 WeakPolarHBondContact O-CZ3 3.45Å
223	C	94.5	Very high	85.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.6	171.5	66.2	0	0	0	0	111.1	F155 F156 R157 C206 K207 I209	F155-C223 HydrophobicContact CE1-CB 4.33Å; F155-C223 HydrophobicContact CE2-CB 4.07Å; F155-C223 HydrophobicContact CZ-CB 3.67Å; F156-C223 CarbonylContact O-C 3.51Å; F156-C223 VanDerWaalsContact O-CA 3.22Å; F156-C223 WeakPolarHBondContact O-CA 3.15Å; R157-C223 HydrophobicContact CB-CB 3.83Å; R157-C223 HydrophobicContact CG-CB 4.06Å; C206-C223 VanDerWaalsContact CA-O 3.26Å; C206-C223 WeakPolarHBondContact CA-O 3.41Å; K207-C223 PolarHBondContact N-O 3.5Å; K207-C223 PolarHBondContact O-N 2.85Å; K207-C223 PolarHBondContact O-SG 2.71Å; I209-C223 HydrophobicContact CD1-CB 4.09Å
224	W	92.9	Very high	84	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	143.2	173.5	-68.6	-102.7	0	0	0	110	F155 F156 E158 P179 Y182 T183 G205 C206 I222 W226	F155-W224 WeakPolarHBondContact CA-O 3.22Å; F156-W224 HydrophobicContact CD1-CB 4.28Å; F156-W224 HydrophobicContact CD2-CB 4.28Å; F156-W224 HydrophobicContact CD2-CD2 4.17Å; F156-W224 AromaticContact CD2-CE3 3.55Å; F156-W224 HydrophobicContact CD2-CE3 3.55Å; F156-W224 HydrophobicContact CD2-CG 4.5Å; F156-W224 HydrophobicContact CD2-CZ3 4.22Å; F156-W224 HydrophobicContact CE1-CB 3.83Å; F156-W224 HydrophobicContact CE1-CG 4.34Å; F156-W224 HydrophobicContact CE2-CB 3.83Å; F156-W224 AromaticContact CE2-CD2 3.38Å; F156-W224 HydrophobicContact CE2-CD2 3.38Å; F156-W224 AromaticContact CE2-CE3 3.13Å; F156-W224 HydrophobicContact CE2-CE3 3.13Å; F156-W224 AromaticContact CE2-CG 3.7Å; F156-W224 HydrophobicContact CE2-CG 3.7Å; F156-W224 AromaticContact CE2-CZ3 3.81Å; F156-W224 HydrophobicContact CE2-CZ3 3.81Å; F156-W224 HydrophobicContact CG-CB 4.5Å; F156-W224 HydrophobicContact CZ-CB 3.57Å; F156-W224 AromaticContact CZ-CD2 3.77Å; F156-W224 HydrophobicContact CZ-CD2 3.77Å; F156-W224 HydrophobicContact CZ-CE3 4Å; F156-W224 AromaticContact CZ-CG 3.6Å; F156-W224 HydrophobicContact CZ-CG 3.6Å; F156-W224 PolarHBondContact N-O 3.42Å; F156-W224 VanDerWaalsContact N-O 3.09Å; F156-W224 PolarHBondContact O-N 3.49Å; E158-W224 HydrophobicContact CB-CZ3 4.37Å; P179-W224 HydrophobicContact CB-CH2 4.25Å; P179-W224 HydrophobicContact CB-CZ2 3.79Å; Y182-W224 AromaticContact CD2-CH2 3.57Å; Y182-W224 HydrophobicContact CD2-CH2 3.57Å; Y182-W224 HydrophobicContact CD2-CZ2 4.04Å; Y182-W224 HydrophobicContact CD2-CZ3 4.12Å; Y182-W224 HydrophobicContact CE2-CH2 4.38Å; Y182-W224 HydrophobicContact CG-CH2 4.2Å; Y182-W224 HydrophobicContact CG-CZ2 4.41Å; T183-W224 PolarHBondContact OG1-NE1 3.03Å; G205-W224 CarbonylContact O-C 3.43Å; G205-W224 WeakPolarHBondContact O-CA 3.3Å; C206-W224 PolarHBondContact SG-NE1 3.15Å; C206-W224 VanDerWaalsContact SG-NE1 3.45Å; I222-W224 HydrophobicContact CB-CH2 3.75Å; I222-W224 HydrophobicContact CB-CZ2 4.43Å; I222-W224 HydrophobicContact CB-CZ3 3.83Å; I222-W224 HydrophobicContact CG2-CD2 4.23Å; I222-W224 HydrophobicContact CG2-CE3 4.02Å; I222-W224 HydrophobicContact CG2-CH2 3.5Å; I222-W224 HydrophobicContact CG2-CZ2 3.72Å; I222-W224 HydrophobicContact CG2-CZ3 3.68Å; I222-W224 WeakPolarHBondContact O-CZ3 3.45Å; W224-W226 AromaticContact CG-NE1 3.99Å
225	I	93.6	Very high	82.8	Confident	20 Å²	20	44.1 Å²	44.1	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.1	174.6	-50.8	177.1	0	0	0	106.7	L48 P50 Y153 I154 F155 V204 G205	L48-I225 WeakPolarHBondContact O-CD1 3.08Å; P50-I225 HydrophobicContact CG-CG2 3.33Å; Y153-I225 HydrophobicContact CD1-CG2 4.29Å; I154-I225 WeakPolarHBondContact O-CA 3.12Å; F155-I225 HydrophobicContact CD2-CD1 4.48Å; F155-I225 HydrophobicContact CD2-CG1 3.89Å; F155-I225 HydrophobicContact CE2-CG1 4.24Å; V204-I225 HydrophobicContact CB-CB 4.36Å; V204-I225 HydrophobicContact CB-CG2 4.03Å; V204-I225 HydrophobicContact CG1-CG2 4.42Å; V204-I225 PolarHBondContact N-O 2.83Å; G205-I225 PolarHBondContact N-O 2.68Å; G205-I225 PolarHBondContact O-N 3.18Å
226	W	92.6	Very high	81.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.7	177	-60.3	90.5	0	0	0	110	Y153 I154 F156 F186 Q187 L201 S202 M203 W224	Y153-W226 CarbonylContact C-O 3.57Å; Y153-W226 WeakPolarHBondContact CA-O 3.28Å; Y153-W226 WeakPolarHBondContact CB-O 3.25Å; I154-W226 HydrophobicContact CB-CB 4.27Å; I154-W226 PolarHBondContact N-O 2.86Å; I154-W226 PolarHBondContact O-N 3.48Å; F156-W226 AromaticContact CE1-CD1 3.54Å; F156-W226 AromaticContact CE1-NE1 3.22Å; F156-W226 AromaticContact CZ-NE1 3.6Å; F186-W226 HydrophobicContact CB-CD2 4.04Å; F186-W226 VanDerWaalsContact CB-CE2 3.46Å; F186-W226 HydrophobicContact CB-CH2 3.96Å; F186-W226 HydrophobicContact CB-CZ2 3.41Å; F186-W226 VanDerWaalsContact CB-CZ2 3.41Å; F186-W226 HydrophobicContact CB-CZ3 4.48Å; F186-W226 HydrophobicContact CG-CZ2 4.42Å; F186-W226 AromaticContact CG-NE1 3.94Å; Q187-W226 HydrophobicContact CB-CH2 4.01Å; Q187-W226 HydrophobicContact CB-CZ3 4.3Å; L201-W226 HydrophobicContact CB-CB 4.24Å; L201-W226 HydrophobicContact CB-CD2 4.23Å; L201-W226 HydrophobicContact CB-CE3 3.66Å; L201-W226 HydrophobicContact CB-CG 4.5Å; L201-W226 HydrophobicContact CB-CZ3 4.35Å; L201-W226 HydrophobicContact CD1-CB 4.34Å; L201-W226 HydrophobicContact CD1-CG 4.42Å; L201-W226 HydrophobicContact CD2-CB 4.31Å; S202-W226 CarbonylContact O-C 3.55Å; S202-W226 WeakPolarHBondContact O-CA 3.46Å; M203-W226 HydrophobicContact CB-CD2 4.41Å; M203-W226 HydrophobicContact CB-CE3 3.83Å; M203-W226 HydrophobicContact CB-CH2 4.01Å; M203-W226 HydrophobicContact CB-CZ3 3.61Å; M203-W226 HydrophobicContact CE-CH2 3.22Å; M203-W226 HydrophobicContact CE-CZ2 3.32Å; M203-W226 HydrophobicContact CE-CZ3 4.05Å; M203-W226 HydrophobicContact CG-CE3 4.4Å; M203-W226 HydrophobicContact CG-CH2 4.32Å; M203-W226 HydrophobicContact CG-CZ2 4.42Å; M203-W226 HydrophobicContact CG-CZ3 4.31Å; M203-W226 VanDerWaalsContact N-CE3 3.31Å; W224-W226 AromaticContact CG-NE1 3.99Å
227	Q	92.9	Very high	81.3	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.22	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.4	169.5	-172.1	178.9	28	0	0	109.7	G151 G152 Y153 S202 V204 V229	G151-Q227 PolarHBondContact O-NE2 3.41Å; G152-Q227 WeakPolarHBondContact O-CA 3.37Å; Y153-Q227 HydrophobicContact CD1-CB 3.84Å; Y153-Q227 HydrophobicContact CD1-CG 4.09Å; Y153-Q227 HydrophobicContact CE1-CB 3.75Å; Y153-Q227 HydrophobicContact CE1-CG 3.77Å; Y153-Q227 PolarHBondContact OH-NE2 3.12Å; Y153-Q227 VanDerWaalsContact OH-NE2 3.17Å; S202-Q227 PolarHBondContact N-O 3.19Å; S202-Q227 PolarHBondContact O-N 3.14Å; V204-Q227 HydrophobicContact CG2-CB 3.6Å; Q227-V229 HydrophobicContact CG-CG1 4.33Å; Q227-V229 PolarHBondContact O-N 3.23Å
228	K	93.9	Very high	80.9	Confident	12 Å²	12	41.4 Å²	41.4	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.8	172.8	-179.3	173.8	176.6	174.3	0	110	I145 V148 G151 G152 F199 E200 L201	I145-K228 HydrophobicContact CG1-CD 4.19Å; I145-K228 HydrophobicContact CG1-CG 4.36Å; I145-K228 WeakPolarHBondContact O-CD 3.48Å; I145-K228 WeakPolarHBondContact O-CE 3.45Å; I145-K228 PolarHBondContact O-NZ 2.65Å; V148-K228 HydrophobicContact CG1-CB 3.74Å; V148-K228 HydrophobicContact CG1-CD 3.6Å; V148-K228 HydrophobicContact CG1-CG 4.31Å; V148-K228 VanDerWaalsContact O-CD 3.26Å; V148-K228 WeakPolarHBondContact O-CD 3.47Å; V148-K228 PolarHBondContact O-NZ 2.84Å; G151-K228 WeakPolarHBondContact CA-O 3.32Å; G151-K228 PolarHBondContact N-O 2.78Å; G152-K228 PolarHBondContact O-N 2.6Å; F199-K228 HydrophobicContact CB-CD 4.35Å; F199-K228 HydrophobicContact CB-CG 3.94Å; F199-K228 HydrophobicContact CD1-CG 4.32Å; F199-K228 HydrophobicContact CG-CG 4.37Å; E200-K228 WeakPolarHBondContact O-CA 3.31Å; L201-K228 HydrophobicContact CD2-CB 4.22Å
229	V	89.2	Confident	80.7	Confident	18 Å²	18	43.1 Å²	43.1	11%	0.109	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.4	-177.8	-62.8	0	0	0	0	110.6	F199 E200 Q227	F199-V229 WeakPolarHBondContact CA-O 3.36Å; F199-V229 WeakPolarHBondContact CB-O 3.43Å; E200-V229 HydrophobicContact CG-CG2 3.99Å; E200-V229 PolarHBondContact N-O 3.35Å; E200-V229 PolarHBondContact O-N 3.43Å; Q227-V229 HydrophobicContact CG-CG1 4.33Å; Q227-V229 PolarHBondContact O-N 3.23Å
230	S	86.8	Confident	80.7	Confident	22 Å²	22	45.3 Å²	45.3	15%	0.154	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140.7	167.4	-178.6	0	0	0	0	108.8	E232 N233	S230-E232 PolarHBondContact O-N 3.4Å; S230-E232 VanDerWaalsContact O-N 3.16Å; S230-E232 PolarHBondContact OG-N 3.45Å; S230-N233 PolarHBondContact O-N 2.99Å
231	V	78.3	Confident	80.4	Confident	50 Å²	50	45.6 Å²	45.6	30%	0.303	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	175.1	177.6	0	0	0	0	111.1	S198 E200 R239	S198-V231 WeakPolarHBondContact O-CG2 3.42Å; S198-V231 PolarHBondContact O-N 3.48Å; E200-V231 WeakPolarHBondContact OE1-CA 3.36Å; E200-V231 WeakPolarHBondContact OE1-CG2 3.46Å; V231-R239 PolarHBondContact O-NH1 3.07Å
232	E	69.1	Low	79.9	Confident	170 Å²	170	46.4 Å²	46.4	79%	0.794	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.9	178.7	-59.9	179.3	177.7	0	0	114.2	S230 D234	S230-E232 PolarHBondContact O-N 3.4Å; S230-E232 VanDerWaalsContact O-N 3.16Å; S230-E232 PolarHBondContact OG-N 3.45Å; E232-D234 PolarHBondContact O-N 2.68Å
233	N	56.1	Low	79.4	Confident	100 Å²	100	51.9 Å²	51.9	54%	0.535	26%	0.261	S	S	.	.	S	Bend	trans	-87.9	106.3	-176.8	-80.2	-5.8	0	0	0	112.4	S230 K235	S230-N233 PolarHBondContact O-N 2.99Å; N233-K235 VanDerWaalsContact C-N 3.26Å; N233-K235 PolarHBondContact O-N 2.71Å
234	D	53.3	Low	78.9	Confident	149 Å²	149	55.8 Å²	55.8	80%	0.797	28%	0.284	S	S	*	.	S	Bend	trans	25.8	39.1	139.7	-143.8	11	0	0	0	120.1	E232	E232-D234 PolarHBondContact O-N 2.68Å
235	K	58.3	Low	78.4	Confident	63 Å²	63	56.4 Å²	56.4	27%	0.274	29%	0.287	S	S	.	.			trans	-114.2	31	156.2	-77.1	-164.6	175	-164.4	0	111.5	S202 M203 N233 F237 Q238 R239	S202-K235 WeakPolarHBondContact OG-CD 3.41Å; S202-K235 VanDerWaalsContact OG-CE 3.26Å; S202-K235 WeakPolarHBondContact OG-CE 3.45Å; S202-K235 PolarHBondContact OG-NZ 3.34Å; M203-K235 PolarHBondContact O-NZ 2.93Å; N233-K235 VanDerWaalsContact C-N 3.26Å; N233-K235 PolarHBondContact O-N 2.71Å; K235-F237 PolarHBondContact O-N 3.5Å; K235-Q238 PolarHBondContact O-N 2.83Å; K235-R239 PolarHBondContact O-N 2.81Å; K235-R239 VanDerWaalsContact O-N 3.11Å
236	D	66.2	Low	78.2	Confident	109 Å²	109	56.9 Å²	56.9	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-51.4	-32.2	173	-77.7	-8.7	0	0	0	110.9	F240	D236-F240 WeakPolarHBondContact O-CA 3.29Å; D236-F240 WeakPolarHBondContact O-CB 3.2Å; D236-F240 PolarHBondContact O-N 2.78Å
237	F	76.6	Confident	78	Confident	67 Å²	67	60.9 Å²	60.9	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-71.9	-50.4	179	-164.9	-117.2	0	0	0	114.4	K235 R239 F240 L241 L313 H360	K235-F237 PolarHBondContact O-N 3.5Å; F237-R239 VanDerWaalsContact C-N 3.29Å; F237-R239 PolarHBondContact O-N 2.97Å; F237-F240 HydrophobicContact CD2-CD1 4.29Å; F237-F240 HydrophobicContact CE2-CD1 4.14Å; F237-F240 WeakPolarHBondContact O-CB 3.3Å; F237-F240 PolarHBondContact O-N 3.47Å; F237-F240 VanDerWaalsContact O-N 3.14Å; F237-L241 HydrophobicContact CD1-CD1 4.12Å; F237-L241 HydrophobicContact CD1-CG 4.48Å; F237-L241 HydrophobicContact CE1-CD1 3.69Å; F237-L241 HydrophobicContact CE1-CD2 4.31Å; F237-L241 HydrophobicContact CE1-CG 4.1Å; F237-L241 HydrophobicContact CE2-CD2 4.27Å; F237-L241 HydrophobicContact CE2-CG 4.41Å; F237-L241 HydrophobicContact CZ-CD1 4.07Å; F237-L241 HydrophobicContact CZ-CD2 3.83Å; F237-L241 HydrophobicContact CZ-CG 4.02Å; F237-L241 WeakPolarHBondContact O-CG 3.1Å; F237-L241 PolarHBondContact O-N 2.95Å; F237-L313 HydrophobicContact CD1-CD2 3.62Å; F237-L313 HydrophobicContact CE1-CD2 4.03Å; F237-H360 HydrophobicContact CE1-CB 4.24Å; F237-H360 HydrophobicContact CZ-CB 3.72Å; F237-H360 AromaticContact CZ-CG 3.99Å; F237-H360 AromaticContact CZ-ND1 3.65Å
238	Q	75.2	Confident	77.8	Confident	13 Å²	13	61.3 Å²	61.3	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-42	176.2	-177.9	175.8	46.9	0	0	110.9	K235 L241 D242 L313	K235-Q238 PolarHBondContact O-N 2.83Å; Q238-L241 WeakPolarHBondContact O-CB 3.38Å; Q238-L241 PolarHBondContact O-N 3.12Å; Q238-D242 PolarHBondContact O-N 3.11Å; Q238-L313 HydrophobicContact CB-CD1 4.18Å; Q238-L313 HydrophobicContact CB-CD2 4.31Å; Q238-L313 HydrophobicContact CB-CG 4.06Å; Q238-L313 HydrophobicContact CG-CD1 4.2Å; Q238-L313 HydrophobicContact CG-CG 4.14Å; Q238-L313 PolarHBondContact NE2-O 3.36Å
239	R	74	Confident	77.6	Confident	55 Å²	55	63 Å²	63	21%	0.208	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-40.3	174.9	-70.6	-172.6	-172.1	139.5	17.4	112.4	E200 V231 K235 F237 L241 D242 N243	E200-R239 IonicContact OE1-CZ 2.75Å; E200-R239 VanDerWaalsContact OE1-CZ 3.3Å; E200-R239 IonicContact OE1-NE 3.4Å; E200-R239 IonicContact OE1-NH1 3.48Å; E200-R239 IonicContact OE1-NH2 3.49Å; E200-R239 PolarHBondContact OE1-NH2 2.75Å; E200-R239 IonicContact OE2-CZ 2.73Å; E200-R239 IonicContact OE2-NE 2.73Å; E200-R239 PolarHBondContact OE2-NE 3.04Å; E200-R239 IonicContact OE2-NH2 3.57Å; E200-R239 PolarHBondContact OE2-NH2 3.21Å; V231-R239 PolarHBondContact O-NH1 3.07Å; K235-R239 PolarHBondContact O-N 2.81Å; K235-R239 VanDerWaalsContact O-N 3.11Å; F237-R239 VanDerWaalsContact C-N 3.29Å; F237-R239 PolarHBondContact O-N 2.97Å; R239-L241 VanDerWaalsContact C-N 3.32Å; R239-D242 PolarHBondContact O-N 3.13Å; R239-N243 WeakPolarHBondContact O-CB 3.46Å; R239-N243 PolarHBondContact O-N 2.85Å; R239-N243 PolarHBondContact O-ND2 3.26Å; R239-N243 VanDerWaalsContact O-ND2 3.09Å
240	F	80.8	Confident	77.8	Confident	52 Å²	52	62.2 Å²	62.2	23%	0.228	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-44.6	175.7	171	-97.2	0	0	0	110.6	D236 F237 V244 Q245 Q403	D236-F240 WeakPolarHBondContact O-CA 3.29Å; D236-F240 WeakPolarHBondContact O-CB 3.2Å; D236-F240 PolarHBondContact O-N 2.78Å; F237-F240 HydrophobicContact CD2-CD1 4.29Å; F237-F240 HydrophobicContact CE2-CD1 4.14Å; F237-F240 WeakPolarHBondContact O-CB 3.3Å; F237-F240 PolarHBondContact O-N 3.47Å; F237-F240 VanDerWaalsContact O-N 3.14Å; F240-V244 HydrophobicContact CD2-CB 3.98Å; F240-V244 HydrophobicContact CD2-CG1 4.41Å; F240-V244 HydrophobicContact CD2-CG2 3.73Å; F240-V244 HydrophobicContact CE2-CB 4.02Å; F240-V244 HydrophobicContact CE2-CG1 3.97Å; F240-V244 HydrophobicContact CE2-CG2 4.13Å; F240-V244 HydrophobicContact CG-CG2 4.47Å; F240-V244 WeakPolarHBondContact O-CA 3.38Å; F240-V244 WeakPolarHBondContact O-CB 3.5Å; F240-V244 PolarHBondContact O-N 3.5Å; F240-Q245 PolarHBondContact O-N 3.27Å; F240-Q403 WeakPolarHBondContact CZ-O 3.44Å
241	L	82	Confident	78.1	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.042	32%	0.315	C	S	.	.	I	π-helix	trans	-59	-57.7	174.1	-65.3	176.2	0	0	0	110.7	F237 Q238 R239 N243 Y246 L313	F237-L241 HydrophobicContact CD1-CD1 4.12Å; F237-L241 HydrophobicContact CD1-CG 4.48Å; F237-L241 HydrophobicContact CE1-CD1 3.69Å; F237-L241 HydrophobicContact CE1-CD2 4.31Å; F237-L241 HydrophobicContact CE1-CG 4.1Å; F237-L241 HydrophobicContact CE2-CD2 4.27Å; F237-L241 HydrophobicContact CE2-CG 4.41Å; F237-L241 HydrophobicContact CZ-CD1 4.07Å; F237-L241 HydrophobicContact CZ-CD2 3.83Å; F237-L241 HydrophobicContact CZ-CG 4.02Å; F237-L241 WeakPolarHBondContact O-CG 3.1Å; F237-L241 PolarHBondContact O-N 2.95Å; Q238-L241 WeakPolarHBondContact O-CB 3.38Å; Q238-L241 PolarHBondContact O-N 3.12Å; R239-L241 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 3.31Å; L241-Y246 HydrophobicContact CB-CD2 4.06Å; L241-Y246 HydrophobicContact CD2-CD2 3.61Å; L241-Y246 HydrophobicContact CD2-CE2 3.56Å; L241-Y246 HydrophobicContact CG-CD2 4.41Å; L241-Y246 CarbonylContact O-C 3.57Å; L241-Y246 WeakPolarHBondContact O-CA 3.44Å; L241-Y246 VanDerWaalsContact O-CB 3.3Å; L241-Y246 WeakPolarHBondContact O-CB 3.32Å; L241-Y246 PolarHBondContact O-N 3.37Å; L241-L313 HydrophobicContact CD1-CB 4Å; L241-L313 HydrophobicContact CD1-CD2 3.8Å; L241-L313 HydrophobicContact CD1-CG 4.03Å
242	D	81.2	Confident	79	Confident	18 Å²	18	61.9 Å²	61.9	10%	0.096	32%	0.316	C	S	.	.	I	π-helix	trans	-72.3	-23.9	-172.4	-76	-39.1	0	0	0	114.5	Q238 R239 K247 S314 V315 N316	Q238-D242 PolarHBondContact O-N 3.11Å; R239-D242 PolarHBondContact O-N 3.13Å; D242-K247 WeakPolarHBondContact O-CA 3.32Å; D242-K247 PolarHBondContact O-N 3.18Å; D242-S314 WeakPolarHBondContact OD1-CA 3.41Å; D242-S314 VanDerWaalsContact OD1-CB 3.31Å; D242-S314 WeakPolarHBondContact OD1-CB 3.48Å; D242-S314 PolarHBondContact OD1-OG 3.38Å; D242-V315 PolarHBondContact OD1-N 3.46Å; D242-V315 VanDerWaalsContact OD1-N 3.11Å; D242-V315 PolarHBondContact OD2-N 3.11Å; D242-N316 PolarHBondContact O-ND2 3.24Å; D242-N316 PolarHBondContact OD1-N 3.21Å; D242-N316 PolarHBondContact OD1-ND2 3.17Å
243	N	80.8	Confident	80.2	Confident	116 Å²	116	54.9 Å²	54.9	62%	0.62	28%	0.283	S	S	*	.	I	π-helix	trans	-105.9	-21.7	-176.8	-61.6	-46.9	0	0	0	114.3	R239 L241	R239-N243 WeakPolarHBondContact O-CB 3.46Å; R239-N243 PolarHBondContact O-N 2.85Å; R239-N243 PolarHBondContact O-ND2 3.26Å; R239-N243 VanDerWaalsContact O-ND2 3.09Å; L241-N243 PolarHBondContact O-N 3.31Å
244	V	82.9	Confident	82.2	Confident	82 Å²	82	51.6 Å²	51.6	50%	0.497	26%	0.263	S	S	.	.	I	π-helix	trans	-108.9	-73.7	-175.8	-171.5	0	0	0	0	110.6	F240	F240-V244 HydrophobicContact CD2-CB 3.98Å; F240-V244 HydrophobicContact CD2-CG1 4.41Å; F240-V244 HydrophobicContact CD2-CG2 3.73Å; F240-V244 HydrophobicContact CE2-CB 4.02Å; F240-V244 HydrophobicContact CE2-CG1 3.97Å; F240-V244 HydrophobicContact CE2-CG2 4.13Å; F240-V244 HydrophobicContact CG-CG2 4.47Å; F240-V244 WeakPolarHBondContact O-CA 3.38Å; F240-V244 WeakPolarHBondContact O-CB 3.5Å; F240-V244 PolarHBondContact O-N 3.5Å
245	Q	83.4	Confident	84.3	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.065	23%	0.23	C	C	.	.	I	π-helix	trans	-82.1	-39.5	-170.9	-177.4	167.1	-12.2	0	0	113	F240 Y254 Y406	F240-Q245 PolarHBondContact O-N 3.27Å; Q245-Y254 HydrophobicContact CG-CE2 4.43Å; Q245-Y406 PolarHBondContact NE2-OH 2.98Å
246	Y	88.1	Confident	86.1	Confident	30 Å²	30	45.9 Å²	45.9	12%	0.118	23%	0.23	C	C	.	.	S	Bend	trans	-120	37.1	-172.3	-53.3	-70.7	0	0	0	111.9	L241 I251 N316 M317 H360	L241-Y246 HydrophobicContact CB-CD2 4.06Å; L241-Y246 HydrophobicContact CD2-CD2 3.61Å; L241-Y246 HydrophobicContact CD2-CE2 3.56Å; L241-Y246 HydrophobicContact CG-CD2 4.41Å; L241-Y246 CarbonylContact O-C 3.57Å; L241-Y246 WeakPolarHBondContact O-CA 3.44Å; L241-Y246 VanDerWaalsContact O-CB 3.3Å; L241-Y246 WeakPolarHBondContact O-CB 3.32Å; L241-Y246 PolarHBondContact O-N 3.37Å; Y246-I251 HydrophobicContact CD1-CG1 4.49Å; Y246-I251 VanDerWaalsContact O-CD1 3.29Å; Y246-I251 WeakPolarHBondContact O-CD1 3.46Å; Y246-N316 PolarHBondContact O-ND2 3.49Å; Y246-M317 HydrophobicContact CD1-CE 3.25Å; Y246-M317 HydrophobicContact CE1-CE 3.68Å; Y246-M317 HydrophobicContact CG-CE 3.87Å; Y246-H360 AromaticContact CE2-CE1 3.81Å; Y246-H360 AromaticContact CE2-NE2 3.62Å; Y246-H360 AromaticContact CZ-NE2 3.75Å; Y246-H360 PolarHBondContact OH-NE2 2.91Å
247	K	88.9	Confident	87.6	Confident	84 Å²	84	40.9 Å²	40.9	37%	0.365	20%	0.203	S	C	.	.			trans	-57.9	151	159	66.9	179.3	-179.3	177.2	0	109.7	D242 S249 G250 I251	D242-K247 WeakPolarHBondContact O-CA 3.32Å; D242-K247 PolarHBondContact O-N 3.18Å; K247-S249 VanDerWaalsContact C-N 3.28Å; K247-S249 WeakPolarHBondContact CE-OG 3.48Å; K247-S249 PolarHBondContact O-N 3.44Å; K247-S249 VanDerWaalsContact O-N 3.13Å; K247-G250 CarbonylContact O-C 3.53Å; K247-G250 VanDerWaalsContact O-CA 3.25Å; K247-G250 WeakPolarHBondContact O-CA 3.48Å; K247-G250 PolarHBondContact O-N 3.03Å; K247-I251 PolarHBondContact O-N 3.29Å
248	S	88.2	Confident	88.6	Confident	55 Å²	55	38.6 Å²	38.6	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-53.8	-40.6	-173.3	-45.2	0	0	0	0	113.8	G250 I251 L252	S248-G250 VanDerWaalsContact C-N 3.33Å; S248-G250 PolarHBondContact O-N 3.02Å; S248-I251 PolarHBondContact O-N 3.34Å; S248-L252 WeakPolarHBondContact O-CG 3.46Å; S248-L252 PolarHBondContact O-N 2.67Å
249	S	90.6	Very high	89.7	Confident	49 Å²	49	38.9 Å²	38.9	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-67.6	-33.8	175	64.3	0	0	0	0	112.9	K247 R253	K247-S249 VanDerWaalsContact C-N 3.28Å; K247-S249 WeakPolarHBondContact CE-OG 3.48Å; K247-S249 PolarHBondContact O-N 3.44Å; K247-S249 VanDerWaalsContact O-N 3.13Å; S249-R253 WeakPolarHBondContact O-CB 3.47Å; S249-R253 VanDerWaalsContact O-CG 3.32Å; S249-R253 WeakPolarHBondContact O-CG 3.37Å; S249-R253 PolarHBondContact O-N 2.76Å
250	G	92.6	Very high	90.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-43.3	172.3	0	0	0	0	0	112.5	K247 S248 R253 Y254	K247-G250 CarbonylContact O-C 3.53Å; K247-G250 VanDerWaalsContact O-CA 3.25Å; K247-G250 WeakPolarHBondContact O-CA 3.48Å; K247-G250 PolarHBondContact O-N 3.03Å; S248-G250 VanDerWaalsContact C-N 3.33Å; S248-G250 PolarHBondContact O-N 3.02Å; G250-R253 VanDerWaalsContact O-CG 3.24Å; G250-R253 WeakPolarHBondContact O-CG 3.46Å; G250-Y254 WeakPolarHBondContact O-CB 3.39Å; G250-Y254 WeakPolarHBondContact O-CD2 3.15Å; G250-Y254 PolarHBondContact O-N 3.34Å
251	I	94.6	Very high	91.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-50.8	175.8	-65.8	171	0	0	0	110.6	Y246 K247 S248 R253 Y254 E255 V263 I293 N316 M317 F320	Y246-I251 HydrophobicContact CD1-CG1 4.49Å; Y246-I251 VanDerWaalsContact O-CD1 3.29Å; Y246-I251 WeakPolarHBondContact O-CD1 3.46Å; K247-I251 PolarHBondContact O-N 3.29Å; S248-I251 PolarHBondContact O-N 3.34Å; I251-R253 PolarHBondContact O-N 3.04Å; I251-Y254 PolarHBondContact O-N 3.36Å; I251-Y254 VanDerWaalsContact O-N 3.16Å; I251-E255 PolarHBondContact O-N 2.82Å; I251-V263 HydrophobicContact CG2-CG1 4.14Å; I251-I293 HydrophobicContact CG2-CD1 4.48Å; I251-I293 HydrophobicContact CG2-CG2 3.49Å; I251-I293 VanDerWaalsContact CG2-CG2 3.49Å; I251-N316 HydrophobicContact CD1-CB 3.5Å; I251-N316 VanDerWaalsContact CD1-CB 3.5Å; I251-M317 HydrophobicContact CD1-CE 4.09Å; I251-M317 HydrophobicContact CD1-CG 4.02Å; I251-M317 HydrophobicContact CD1-SD 3.68Å; I251-M317 HydrophobicContact CG1-CE 3.81Å; I251-M317 HydrophobicContact CG1-SD 3.91Å; I251-M317 HydrophobicContact CG2-SD 4.03Å; I251-F320 HydrophobicContact CB-CD2 4.5Å; I251-F320 HydrophobicContact CB-CE2 4.13Å; I251-F320 HydrophobicContact CD1-CD2 4.17Å; I251-F320 HydrophobicContact CD1-CE2 4.14Å; I251-F320 HydrophobicContact CG2-CD2 3.88Å; I251-F320 HydrophobicContact CG2-CE2 3.91Å
252	L	95.3	Very high	92.3	Very high	65 Å²	65	42.9 Å²	42.9	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-38.8	-177.9	-69	171.4	0	0	0	112.4	S248 E255 R256 F320 F457	S248-L252 WeakPolarHBondContact O-CG 3.46Å; S248-L252 PolarHBondContact O-N 2.67Å; L252-E255 PolarHBondContact O-N 3.31Å; L252-R256 PolarHBondContact O-N 3.47Å; L252-F320 HydrophobicContact CD1-CZ 4.08Å; L252-F320 HydrophobicContact CD2-CE1 3.83Å; L252-F320 HydrophobicContact CD2-CZ 3.84Å; L252-F320 HydrophobicContact CG-CE1 4.29Å; L252-F320 HydrophobicContact CG-CZ 3.8Å; L252-F457 HydrophobicContact CB-CE1 3.85Å; L252-F457 HydrophobicContact CB-CZ 4.33Å; L252-F457 WeakPolarHBondContact O-CZ 3.32Å
253	R	95.7	Very high	93.1	Very high	24 Å²	24	43.5 Å²	43.5	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-36.7	174.6	74.2	-175.3	-177.8	171.8	8.2	111.7	S249 G250 I251 R256 V257 F453 F457 D461 D464 I465	S249-R253 WeakPolarHBondContact O-CB 3.47Å; S249-R253 VanDerWaalsContact O-CG 3.32Å; S249-R253 WeakPolarHBondContact O-CG 3.37Å; S249-R253 PolarHBondContact O-N 2.76Å; G250-R253 VanDerWaalsContact O-CG 3.24Å; G250-R253 WeakPolarHBondContact O-CG 3.46Å; I251-R253 PolarHBondContact O-N 3.04Å; R253-R256 WeakPolarHBondContact O-CB 3.16Å; R253-R256 PolarHBondContact O-N 3.38Å; R253-V257 WeakPolarHBondContact O-CG2 3.28Å; R253-V257 PolarHBondContact O-N 3.31Å; R253-F453 HydrophobicContact CB-CZ 4.16Å; R253-F457 HydrophobicContact CB-CD1 3.95Å; R253-F457 HydrophobicContact CB-CE1 3.83Å; R253-F457 HydrophobicContact CB-CG 4.38Å; R253-F457 HydrophobicContact CB-CZ 4.18Å; R253-D461 VanDerWaalsContact CD-OD1 3.28Å; R253-D461 WeakPolarHBondContact CD-OD1 3.41Å; R253-D461 IonicContact CZ-OD1 2.64Å; R253-D461 IonicContact NE-OD1 3.84Å; R253-D461 IonicContact NH1-OD1 2.79Å; R253-D461 PolarHBondContact NH1-OD1 2.73Å; R253-D464 IonicContact CZ-OD2 3.04Å; R253-D464 IonicContact NH1-OD2 2.85Å; R253-D464 PolarHBondContact NH1-OD2 3.23Å; R253-D464 IonicContact NH2-OD2 3.02Å; R253-I465 HydrophobicContact CG-CD1 4.3Å
254	Y	97	Very high	93.9	Very high	30 Å²	30	38.7 Å²	38.7	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-43.8	173.3	-77.4	-44.5	0	0	0	111.7	Q245 G250 I251 R256 V257 F258 I465 W469	Q245-Y254 HydrophobicContact CG-CE2 4.43Å; G250-Y254 WeakPolarHBondContact O-CB 3.39Å; G250-Y254 WeakPolarHBondContact O-CD2 3.15Å; G250-Y254 PolarHBondContact O-N 3.34Å; I251-Y254 PolarHBondContact O-N 3.36Å; I251-Y254 VanDerWaalsContact O-N 3.16Å; Y254-R256 VanDerWaalsContact C-N 3.29Å; Y254-R256 PolarHBondContact O-N 2.75Å; Y254-V257 PolarHBondContact O-N 3.1Å; Y254-F258 AromaticContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CG-CE2 4.18Å; Y254-F258 WeakPolarHBondContact O-CD2 3.49Å; Y254-F258 PolarHBondContact O-N 3.43Å; Y254-I465 HydrophobicContact CD1-CD1 4.05Å; Y254-I465 HydrophobicContact CE1-CD1 4.08Å; Y254-W469 AromaticContact CD1-CH2 3.96Å; Y254-W469 HydrophobicContact CD1-CH2 3.96Å; Y254-W469 HydrophobicContact CD1-CZ3 4.21Å; Y254-W469 HydrophobicContact CE1-CH2 4.19Å; Y254-W469 HydrophobicContact CE1-CZ3 4.07Å
255	E	97.7	Very high	94.6	Very high	23 Å²	23	34.8 Å²	34.8	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-41.3	174.5	176.6	178.2	-143.9	0	0	112.4	I251 L252 V257 G259 G261 Y262 I293 R324	I251-E255 PolarHBondContact O-N 2.82Å; L252-E255 PolarHBondContact O-N 3.31Å; E255-V257 PolarHBondContact O-N 2.83Å; E255-G259 CarbonylContact O-C 3.57Å; E255-G259 VanDerWaalsContact O-C 3.31Å; E255-G259 WeakPolarHBondContact O-CA 3.37Å; E255-G259 PolarHBondContact O-N 3.26Å; E255-G261 PolarHBondContact OE1-N 2.85Å; E255-Y262 WeakPolarHBondContact CA-O 3.47Å; E255-I293 HydrophobicContact CB-CD1 4.01Å; E255-I293 HydrophobicContact CG-CD1 4.03Å; E255-R324 IonicContact OE1-CZ 3.83Å; E255-R324 IonicContact OE1-NH1 3.58Å; E255-R324 PolarHBondContact OE1-NH1 2.74Å; E255-R324 IonicContact OE1-NH2 2.92Å; E255-R324 PolarHBondContact OE1-NH2 2.86Å; E255-R324 IonicContact OE2-CZ 3.36Å; E255-R324 IonicContact OE2-NH1 2.65Å; E255-R324 IonicContact OE2-NH2 3.18Å; E255-R324 PolarHBondContact OE2-NH2 2.75Å
256	R	97.2	Very high	95.3	Very high	69 Å²	69	34.6 Å²	34.6	26%	0.26	18%	0.181	S	C	.	.	H	α-helix	trans	-55.3	-36.9	175.7	-179	59.5	60.8	92.6	2.4	112.3	L252 R253 Y254 F453 D456 F457	L252-R256 PolarHBondContact O-N 3.47Å; R253-R256 WeakPolarHBondContact O-CB 3.16Å; R253-R256 PolarHBondContact O-N 3.38Å; Y254-R256 VanDerWaalsContact C-N 3.29Å; Y254-R256 PolarHBondContact O-N 2.75Å; R256-F453 HydrophobicContact CB-CE2 4.02Å; R256-F453 HydrophobicContact CG-CD2 3.6Å; R256-F453 HydrophobicContact CG-CE2 3.58Å; R256-D456 IonicContact CZ-OD2 3.85Å; R256-D456 IonicContact NH1-OD2 2.77Å; R256-D456 PolarHBondContact NH1-OD2 3.01Å; R256-D456 IonicContact NH2-OD2 3.21Å; R256-D456 PolarHBondContact NH2-OD2 2.99Å; R256-F457 HydrophobicContact CB-CE2 3.78Å; R256-F457 HydrophobicContact CB-CZ 4Å; R256-F457 HydrophobicContact CG-CE2 3.88Å
257	V	97.6	Very high	95.7	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.024	18%	0.175	C	C	.	.	H	α-helix	trans	-81.4	-51.9	-177.9	-174.6	0	0	0	0	111.8	R253 Y254 E255 E442 V446 F453 I465 W469	R253-V257 WeakPolarHBondContact O-CG2 3.28Å; R253-V257 PolarHBondContact O-N 3.31Å; Y254-V257 PolarHBondContact O-N 3.1Å; E255-V257 PolarHBondContact O-N 2.83Å; V257-E442 HydrophobicContact CG1-CB 3.85Å; V257-E442 HydrophobicContact CG1-CG 4.36Å; V257-V446 HydrophobicContact CB-CG2 4.3Å; V257-V446 HydrophobicContact CG1-CG2 3.99Å; V257-V446 HydrophobicContact CG2-CG2 3.75Å; V257-F453 HydrophobicContact CG2-CE2 4.17Å; V257-I465 HydrophobicContact CG2-CD1 4.08Å; V257-I465 HydrophobicContact CG2-CG1 4.2Å; V257-I465 HydrophobicContact CG2-CG2 3.56Å; V257-W469 HydrophobicContact CB-CH2 4.11Å; V257-W469 HydrophobicContact CB-CZ2 4.06Å; V257-W469 HydrophobicContact CG1-CD2 4.33Å; V257-W469 HydrophobicContact CG1-CH2 3.75Å; V257-W469 HydrophobicContact CG1-CZ2 3.26Å; V257-W469 HydrophobicContact CG1-CZ3 4.46Å; V257-W469 HydrophobicContact CG2-CH2 4.43Å
258	F	97.8	Very high	96.2	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.088	18%	0.181	C	C	.	.	H	α-helix	trans	-75.5	-29.4	-175	-67.2	-61.3	0	0	0	113.3	Y254 V263 S264 G267 E442 W469	Y254-F258 AromaticContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CG-CE2 4.18Å; Y254-F258 WeakPolarHBondContact O-CD2 3.49Å; Y254-F258 PolarHBondContact O-N 3.43Å; F258-V263 WeakPolarHBondContact CE2-O 3.33Å; F258-S264 VanDerWaalsContact CD1-C 3.4Å; F258-S264 WeakPolarHBondContact CD1-O 3.33Å; F258-S264 WeakPolarHBondContact CG-O 3.46Å; F258-G267 WeakPolarHBondContact O-CA 3.48Å; F258-E442 VanDerWaalsContact CD1-OE1 3.26Å; F258-E442 WeakPolarHBondContact CD1-OE1 3.36Å; F258-W469 HydrophobicContact CD1-CZ2 4.22Å; F258-W469 HydrophobicContact CE1-CH2 4.11Å; F258-W469 AromaticContact CE1-CZ2 3.55Å; F258-W469 HydrophobicContact CE1-CZ2 3.55Å; F258-W469 AromaticContact CE2-CH2 3.91Å; F258-W469 HydrophobicContact CE2-CH2 3.91Å; F258-W469 HydrophobicContact CE2-CZ2 4.17Å; F258-W469 AromaticContact CZ-CH2 3.6Å; F258-W469 HydrophobicContact CZ-CH2 3.6Å; F258-W469 AromaticContact CZ-CZ2 3.53Å; F258-W469 HydrophobicContact CZ-CZ2 3.53Å
259	G	97.3	Very high	96.7	Very high	19 Å²	19	36.8 Å²	36.8	20%	0.196	19%	0.186	C	C	.	.			trans	118.3	153.3	-175.9	0	0	0	0	0	112.7	E255 G261 Y262	E255-G259 CarbonylContact O-C 3.57Å; E255-G259 VanDerWaalsContact O-C 3.31Å; E255-G259 WeakPolarHBondContact O-CA 3.37Å; E255-G259 PolarHBondContact O-N 3.26Å; G259-G261 PolarHBondContact O-N 3.18Å; G259-Y262 PolarHBondContact O-N 3.42Å
260	E	96.5	Very high	97	Very high	174 Å²	174	34.5 Å²	34.5	81%	0.813	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	126.3	-178.7	-175	-179.9	-178.7	0	0	112	Y262	E260-Y262 WeakPolarHBondContact O-CD2 3.42Å; E260-Y262 WeakPolarHBondContact O-CE2 3.33Å
261	G	96.9	Very high	97.3	Very high	9 Å²	9	34.5 Å²	34.5	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-7.1	-178.5	0	0	0	0	0	115.6	E255 G259 I293 G295	E255-G261 PolarHBondContact OE1-N 2.85Å; G259-G261 PolarHBondContact O-N 3.18Å; G261-I293 VanDerWaalsContact O-CG1 3.26Å; G261-I293 WeakPolarHBondContact O-CG1 3.29Å; G261-G295 WeakPolarHBondContact O-CA 3.44Å; G261-G295 PolarHBondContact O-N 2.98Å
262	Y	98.3	Very high	97.5	Very high	16 Å²	16	40.3 Å²	40.3	6%	0.063	20%	0.195	C	C	.	.			trans	-124.6	144.7	-170.4	-59.6	-81.6	0	0	0	113.5	E255 G259 E260 G267 F268 T271 G295	E255-Y262 WeakPolarHBondContact CA-O 3.47Å; G259-Y262 PolarHBondContact O-N 3.42Å; E260-Y262 WeakPolarHBondContact O-CD2 3.42Å; E260-Y262 WeakPolarHBondContact O-CE2 3.33Å; Y262-G267 VanDerWaalsContact CG-CA 3.47Å; Y262-F268 HydrophobicContact CD2-CB 4.42Å; Y262-F268 HydrophobicContact CE2-CB 3.71Å; Y262-F268 HydrophobicContact CE2-CD2 4.21Å; Y262-F268 HydrophobicContact CE2-CG 4.49Å; Y262-F268 WeakPolarHBondContact OH-CD2 3.5Å; Y262-T271 HydrophobicContact CE1-CG2 3.97Å; Y262-T271 VanDerWaalsContact CE1-OG1 3.25Å; Y262-T271 WeakPolarHBondContact CE1-OG1 3.4Å; Y262-G295 PolarHBondContact OH-O 3.05Å
263	V	97.8	Very high	97.7	Very high	31 Å²	31	40.3 Å²	40.3	19%	0.188	19%	0.193	C	C	.	.			trans	-125.6	21.6	176.2	-71	0	0	0	0	111.7	I251 F258 I293 M317	I251-V263 HydrophobicContact CG2-CG1 4.14Å; F258-V263 WeakPolarHBondContact CE2-O 3.33Å; V263-I293 HydrophobicContact CG1-CD1 3.95Å; V263-I293 HydrophobicContact CG1-CG1 4.38Å; V263-M317 HydrophobicContact CB-CE 4.13Å; V263-M317 HydrophobicContact CG1-CE 4.04Å; V263-M317 HydrophobicContact CG1-SD 4.33Å; V263-M317 HydrophobicContact CG2-CE 3.8Å; V263-M317 HydrophobicContact CG2-SD 4.24Å
264	S	97.2	Very high	97.8	Very high	14 Å²	14	39.1 Å²	39.1	10%	0.098	19%	0.189	C	C	.	.	S	Bend	trans	-145.7	166.9	-175.9	65.1	0	0	0	0	112.5	F258 G266 G267	F258-S264 VanDerWaalsContact CD1-C 3.4Å; F258-S264 WeakPolarHBondContact CD1-O 3.33Å; F258-S264 WeakPolarHBondContact CG-O 3.46Å; S264-G266 PolarHBondContact O-N 3.46Å; S264-G267 PolarHBondContact O-N 3.07Å
265	T	97.8	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	116.3	-166	-56.6	0	0	0	0	114.1	G267 T270 R355 D356 F435 V438 W483	T265-G267 PolarHBondContact O-N 3.46Å; T265-T270 WeakPolarHBondContact O-CG2 3.26Å; T265-T270 PolarHBondContact O-OG1 2.94Å; T265-R355 PolarHBondContact O-NH2 2.92Å; T265-D356 VanDerWaalsContact CB-OD2 3.29Å; T265-D356 WeakPolarHBondContact CB-OD2 3.22Å; T265-D356 PolarHBondContact N-OD2 3.26Å; T265-D356 PolarHBondContact OG1-OD2 3.27Å; T265-F435 HydrophobicContact CG2-CD2 3.5Å; T265-F435 VanDerWaalsContact CG2-CD2 3.5Å; T265-F435 HydrophobicContact CG2-CE2 3.91Å; T265-V438 HydrophobicContact CG2-CB 4.25Å; T265-V438 HydrophobicContact CG2-CG1 3.77Å; T265-W483 HydrophobicContact CG2-CD2 4.35Å; T265-W483 HydrophobicContact CG2-CE3 4.47Å; T265-W483 HydrophobicContact CG2-CH2 3.8Å; T265-W483 HydrophobicContact CG2-CZ2 3.7Å; T265-W483 HydrophobicContact CG2-CZ3 4.22Å
266	G	97.6	Very high	97.9	Very high	11 Å²	11	39.5 Å²	39.5	11%	0.113	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	4.2	170.6	0	0	0	0	0	115.7	S264 F268 E269 V438 E442	S264-G266 PolarHBondContact O-N 3.46Å; G266-F268 PolarHBondContact O-N 2.69Å; G266-E269 PolarHBondContact O-N 2.95Å; G266-V438 VanDerWaalsContact CA-CG1 3.47Å; G266-V438 VanDerWaalsContact N-CG1 3.34Å; G266-E442 WeakPolarHBondContact CA-OE1 3.38Å; G266-E442 PolarHBondContact N-OE1 3.4Å
267	G	98.2	Very high	97.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	48.3	-124.2	173.4	0	0	0	0	0	114.4	F258 Y262 S264 T265 E269 T270 T271	F258-G267 WeakPolarHBondContact O-CA 3.48Å; Y262-G267 VanDerWaalsContact CG-CA 3.47Å; S264-G267 PolarHBondContact O-N 3.07Å; T265-G267 PolarHBondContact O-N 3.46Å; G267-E269 VanDerWaalsContact C-N 3.34Å; G267-E269 PolarHBondContact O-N 3.26Å; G267-T270 PolarHBondContact O-OG1 3.22Å; G267-T271 WeakPolarHBondContact O-CB 3.24Å; G267-T271 PolarHBondContact O-N 2.96Å; G267-T271 PolarHBondContact O-OG1 3.42Å
268	F	98.1	Very high	97.9	Very high	109 Å²	109	39.7 Å²	39.7	48%	0.478	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-36.5	-176.4	-175.1	-102	0	0	0	113.6	Y262 G266 T271 K272 Y299	Y262-F268 HydrophobicContact CD2-CB 4.42Å; Y262-F268 HydrophobicContact CE2-CB 3.71Å; Y262-F268 HydrophobicContact CE2-CD2 4.21Å; Y262-F268 HydrophobicContact CE2-CG 4.49Å; Y262-F268 WeakPolarHBondContact OH-CD2 3.5Å; G266-F268 PolarHBondContact O-N 2.69Å; F268-T271 PolarHBondContact O-N 2.79Å; F268-K272 HydrophobicContact CE1-CD 4.38Å; F268-K272 WeakPolarHBondContact O-CB 3.26Å; F268-K272 PolarHBondContact O-N 3.4Å; F268-Y299 HydrophobicContact CD2-CD2 4.37Å; F268-Y299 AromaticContact CE2-CD2 3.45Å; F268-Y299 HydrophobicContact CE2-CD2 3.45Å; F268-Y299 VanDerWaalsContact CE2-CD2 3.45Å; F268-Y299 AromaticContact CE2-CE2 3.81Å; F268-Y299 HydrophobicContact CE2-CE2 3.81Å; F268-Y299 HydrophobicContact CE2-CG 4.19Å; F268-Y299 HydrophobicContact CZ-CD2 4.03Å; F268-Y299 AromaticContact CZ-CE2 3.92Å; F268-Y299 HydrophobicContact CZ-CE2 3.92Å
269	E	98.3	Very high	97.8	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-53.1	-175.3	-175.2	-169.2	152.9	0	0	111.3	G266 G267 K272 E273 R441	G266-E269 PolarHBondContact O-N 2.95Å; G267-E269 VanDerWaalsContact C-N 3.34Å; G267-E269 PolarHBondContact O-N 3.26Å; E269-K272 PolarHBondContact O-N 3.28Å; E269-E273 PolarHBondContact O-N 2.81Å; E269-E273 VanDerWaalsContact O-N 3.15Å; E269-R441 IonicContact OE1-NH2 2.78Å; E269-R441 PolarHBondContact OE1-NH2 3.34Å; E269-R441 IonicContact OE2-CZ 2.6Å; E269-R441 IonicContact OE2-NE 3.6Å; E269-R441 IonicContact OE2-NH2 3.8Å; E269-R441 PolarHBondContact OE2-NH2 3Å
270	T	98.4	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-34.9	-179.8	56.3	0	0	0	0	111.4	T265 G267 K272 E273 F274 R355 V438 W483	T265-T270 WeakPolarHBondContact O-CG2 3.26Å; T265-T270 PolarHBondContact O-OG1 2.94Å; G267-T270 PolarHBondContact O-OG1 3.22Å; T270-K272 PolarHBondContact O-N 2.96Å; T270-E273 PolarHBondContact O-N 3.26Å; T270-F274 HydrophobicContact CG2-CE2 4.45Å; T270-F274 WeakPolarHBondContact O-CD2 3.44Å; T270-F274 WeakPolarHBondContact O-CG 3.4Å; T270-F274 PolarHBondContact O-N 3.05Å; T270-R355 PolarHBondContact OG1-NH2 3.3Å; T270-V438 HydrophobicContact CG2-CG2 4.36Å; T270-W483 HydrophobicContact CG2-CH2 4.09Å
271	T	98.7	Very high	97.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-48.9	173.6	-61.1	0	0	0	0	111.3	Y262 G267 F268 E273 F274 V275 Y299 R355	Y262-T271 HydrophobicContact CE1-CG2 3.97Å; Y262-T271 VanDerWaalsContact CE1-OG1 3.25Å; Y262-T271 WeakPolarHBondContact CE1-OG1 3.4Å; G267-T271 WeakPolarHBondContact O-CB 3.24Å; G267-T271 PolarHBondContact O-N 2.96Å; G267-T271 PolarHBondContact O-OG1 3.42Å; F268-T271 PolarHBondContact O-N 2.79Å; T271-E273 VanDerWaalsContact C-N 3.31Å; T271-E273 PolarHBondContact O-N 3.47Å; T271-F274 PolarHBondContact O-N 3.2Å; T271-V275 HydrophobicContact CG2-CG2 4.04Å; T271-V275 VanDerWaalsContact O-CB 3.3Å; T271-V275 WeakPolarHBondContact O-CB 3.09Å; T271-V275 VanDerWaalsContact O-CG2 3.22Å; T271-V275 WeakPolarHBondContact O-CG2 3.42Å; T271-V275 PolarHBondContact O-N 2.83Å; T271-Y299 HydrophobicContact CG2-CD1 3.75Å; T271-Y299 HydrophobicContact CG2-CE1 4.35Å; T271-Y299 HydrophobicContact CG2-CG 4.42Å; T271-R355 PolarHBondContact OG1-NH1 3.19Å
272	K	98.4	Very high	97.9	Very high	121 Å²	121	44.1 Å²	44.1	53%	0.526	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-42.5	175.7	177.8	174.8	-178.4	-177.8	0	112.2	F268 E269 T270 A276	F268-K272 HydrophobicContact CE1-CD 4.38Å; F268-K272 WeakPolarHBondContact O-CB 3.26Å; F268-K272 PolarHBondContact O-N 3.4Å; E269-K272 PolarHBondContact O-N 3.28Å; T270-K272 PolarHBondContact O-N 2.96Å; K272-A276 WeakPolarHBondContact O-CB 3.35Å; K272-A276 PolarHBondContact O-N 3.26Å
273	E	98.5	Very high	97.6	Very high	65 Å²	65	46.6 Å²	46.6	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-48.4	177.4	-175	-171.8	171.7	0	0	112.1	E269 T270 T271 R431 Q434	E269-E273 PolarHBondContact O-N 2.81Å; E269-E273 VanDerWaalsContact O-N 3.15Å; T270-E273 PolarHBondContact O-N 3.26Å; T271-E273 VanDerWaalsContact C-N 3.31Å; T271-E273 PolarHBondContact O-N 3.47Å; E273-R431 IonicContact OE1-CZ 3.53Å; E273-R431 IonicContact OE1-NH1 3.63Å; E273-R431 PolarHBondContact OE1-NH1 3.25Å; E273-R431 IonicContact OE1-NH2 2.75Å; E273-R431 PolarHBondContact OE1-NH2 3.34Å; E273-R431 IonicContact OE2-NH1 2.83Å; E273-Q434 PolarHBondContact OE2-NE2 3.04Å
274	F	98.5	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-77.9	-40	-172.9	-57.9	-32.3	0	0	0	112.9	T270 T271 A276 K277 L382 T384 W483 L485	T270-F274 HydrophobicContact CG2-CE2 4.45Å; T270-F274 WeakPolarHBondContact O-CD2 3.44Å; T270-F274 WeakPolarHBondContact O-CG 3.4Å; T270-F274 PolarHBondContact O-N 3.05Å; T271-F274 PolarHBondContact O-N 3.2Å; F274-A276 PolarHBondContact O-N 3.27Å; F274-K277 WeakPolarHBondContact O-CB 3.31Å; F274-K277 PolarHBondContact O-N 2.83Å; F274-L382 HydrophobicContact CB-CD1 4.27Å; F274-L382 HydrophobicContact CB-CD2 3.97Å; F274-L382 VanDerWaalsContact O-CD1 3.31Å; F274-L382 WeakPolarHBondContact O-CD1 3.3Å; F274-T384 HydrophobicContact CD2-CG2 3.59Å; F274-T384 HydrophobicContact CE2-CG2 3.45Å; F274-T384 VanDerWaalsContact CE2-CG2 3.45Å; F274-T384 HydrophobicContact CG-CG2 4.34Å; F274-T384 HydrophobicContact CZ-CG2 4.09Å; F274-W483 AromaticContact CE2-CH2 3.54Å; F274-W483 HydrophobicContact CE2-CH2 3.54Å; F274-W483 AromaticContact CE2-CZ2 3.82Å; F274-W483 HydrophobicContact CE2-CZ2 3.82Å; F274-W483 AromaticContact CZ-CH2 3.4Å; F274-W483 HydrophobicContact CZ-CH2 3.4Å; F274-W483 VanDerWaalsContact CZ-CH2 3.4Å; F274-W483 HydrophobicContact CZ-CZ2 4.07Å; F274-W483 HydrophobicContact CZ-CZ3 4.03Å; F274-L485 HydrophobicContact CD1-CD1 4.12Å; F274-L485 HydrophobicContact CD1-CD2 3.91Å; F274-L485 HydrophobicContact CE1-CD1 4.43Å; F274-L485 HydrophobicContact CE1-CD2 3.91Å; F274-L485 HydrophobicContact CG-CD1 4.33Å
275	V	98.4	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-34.1	175.4	171.2	0	0	0	0	111	T271 K277 M278 L280 Y299 M300 F304	T271-V275 HydrophobicContact CG2-CG2 4.04Å; T271-V275 VanDerWaalsContact O-CB 3.3Å; T271-V275 WeakPolarHBondContact O-CB 3.09Å; T271-V275 VanDerWaalsContact O-CG2 3.22Å; T271-V275 WeakPolarHBondContact O-CG2 3.42Å; T271-V275 PolarHBondContact O-N 2.83Å; V275-K277 PolarHBondContact O-N 2.92Å; V275-K277 VanDerWaalsContact O-N 3.14Å; V275-M278 HydrophobicContact CB-SD 4.46Å; V275-M278 HydrophobicContact CG1-SD 4.44Å; V275-M278 HydrophobicContact CG2-CE 4.1Å; V275-M278 HydrophobicContact CG2-SD 4.35Å; V275-M278 WeakPolarHBondContact O-CB 3.39Å; V275-M278 PolarHBondContact O-N 3.16Å; V275-L280 HydrophobicContact CG1-CD1 3.81Å; V275-Y299 HydrophobicContact CB-CD1 4.42Å; V275-Y299 HydrophobicContact CB-CE1 3.84Å; V275-Y299 HydrophobicContact CG1-CD1 4.41Å; V275-Y299 HydrophobicContact CG1-CE1 3.85Å; V275-Y299 HydrophobicContact CG2-CD1 4.17Å; V275-Y299 HydrophobicContact CG2-CE1 4.07Å; V275-M300 HydrophobicContact CG1-CG 3.91Å; V275-M300 HydrophobicContact CG2-CG 3.76Å; V275-M300 HydrophobicContact CG2-SD 4.08Å; V275-F304 HydrophobicContact CG1-CD2 4.02Å; V275-F304 HydrophobicContact CG1-CE2 3.39Å; V275-F304 HydrophobicContact CG1-CZ 3.8Å
276	A	98	Very high	97.7	Very high	60 Å²	60	49.9 Å²	49.9	50%	0.496	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.9	-24	174.3	0	0	0	0	0	113.4	K272 F274 M278	K272-A276 WeakPolarHBondContact O-CB 3.35Å; K272-A276 PolarHBondContact O-N 3.26Å; F274-A276 PolarHBondContact O-N 3.27Å; A276-M278 VanDerWaalsContact C-N 3.32Å
277	K	98.1	Very high	97.8	Very high	70 Å²	70	49.3 Å²	49.3	30%	0.304	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-81.1	-9.8	177.7	-58	174.3	-179	-77.2	0	113.5	F274 V275 L382 L485 I487	F274-K277 WeakPolarHBondContact O-CB 3.31Å; F274-K277 PolarHBondContact O-N 2.83Å; V275-K277 PolarHBondContact O-N 2.92Å; V275-K277 VanDerWaalsContact O-N 3.14Å; K277-L382 HydrophobicContact CB-CD1 4.14Å; K277-L485 HydrophobicContact CD-CD2 4.02Å; K277-I487 HydrophobicContact CB-CD1 4.04Å; K277-I487 HydrophobicContact CD-CD1 3.63Å; K277-I487 HydrophobicContact CG-CD1 4.44Å
278	M	97	Very high	97.8	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.034	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-85.4	-13.4	-179.9	-60.3	171.9	-172.6	0	0	113.2	V275 A276 L280 M300 V351 Y353 L382	V275-M278 HydrophobicContact CB-SD 4.46Å; V275-M278 HydrophobicContact CG1-SD 4.44Å; V275-M278 HydrophobicContact CG2-CE 4.1Å; V275-M278 HydrophobicContact CG2-SD 4.35Å; V275-M278 WeakPolarHBondContact O-CB 3.39Å; V275-M278 PolarHBondContact O-N 3.16Å; A276-M278 VanDerWaalsContact C-N 3.32Å; M278-L280 HydrophobicContact CB-CD2 3.96Å; M278-L280 HydrophobicContact CB-CG 3.91Å; M278-L280 PolarHBondContact O-N 3.18Å; M278-L280 HydrophobicContact SD-CD1 4.34Å; M278-L280 HydrophobicContact SD-CD2 4.29Å; M278-L280 HydrophobicContact SD-CG 4.35Å; M278-M300 HydrophobicContact SD-SD 4.28Å; M278-V351 HydrophobicContact CB-CG2 4.48Å; M278-V351 HydrophobicContact CG-CG1 4.2Å; M278-V351 HydrophobicContact SD-CG1 3.9Å; M278-Y353 HydrophobicContact CE-CD1 4.5Å; M278-Y353 HydrophobicContact CE-CD2 3.02Å; M278-Y353 HydrophobicContact CE-CE2 3.36Å; M278-Y353 HydrophobicContact CE-CG 3.63Å; M278-L382 HydrophobicContact CE-CB 4.02Å; M278-L382 HydrophobicContact CE-CD1 4.06Å; M278-L382 HydrophobicContact CE-CD2 3.95Å; M278-L382 HydrophobicContact CE-CG 4.23Å; M278-L382 HydrophobicContact CG-CB 4.45Å; M278-L382 HydrophobicContact CG-CD1 4.03Å
279	D	96	Very high	97.8	Very high	102 Å²	102	44.4 Å²	44.4	55%	0.545	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	33	-176.8	-70.1	-48.5	0	0	0	114.5	K281	D279-K281 WeakPolarHBondContact O-CD 3.32Å; D279-K281 WeakPolarHBondContact O-CE 3.13Å; D279-K281 PolarHBondContact O-NZ 2.9Å
280	L	98.2	Very high	97.8	Very high	9 Å²	9	40.1 Å²	40.1	5%	0.047	23%	0.226	C	C	.	.			trans	-48	137.8	-175.2	-65.1	-179.6	0	0	0	113	V275 M278 V286 M300 F304 V306 V351	V275-L280 HydrophobicContact CG1-CD1 3.81Å; M278-L280 HydrophobicContact CB-CD2 3.96Å; M278-L280 HydrophobicContact CB-CG 3.91Å; M278-L280 PolarHBondContact O-N 3.18Å; M278-L280 HydrophobicContact SD-CD1 4.34Å; M278-L280 HydrophobicContact SD-CD2 4.29Å; M278-L280 HydrophobicContact SD-CG 4.35Å; L280-V286 HydrophobicContact CD2-CG2 3.81Å; L280-M300 HydrophobicContact CD1-CB 4.26Å; L280-M300 HydrophobicContact CD1-CG 4.09Å; L280-M300 HydrophobicContact CD1-SD 4.25Å; L280-F304 HydrophobicContact CB-CB 3.79Å; L280-F304 HydrophobicContact CB-CD1 3.77Å; L280-F304 HydrophobicContact CB-CG 3.82Å; L280-F304 HydrophobicContact CD1-CB 4.12Å; L280-F304 HydrophobicContact CD1-CD2 4.03Å; L280-F304 HydrophobicContact CD1-CG 3.99Å; L280-V306 HydrophobicContact CB-CG1 4.06Å; L280-V306 HydrophobicContact CD1-CG1 4.35Å; L280-V306 HydrophobicContact CD1-CG2 4.24Å; L280-V306 HydrophobicContact CD2-CG1 4.4Å; L280-V306 HydrophobicContact CG-CG1 4.5Å; L280-V351 HydrophobicContact CD2-CB 4.33Å; L280-V351 HydrophobicContact CD2-CG2 3.72Å
281	K	98	Very high	97.8	Very high	113 Å²	113	40.6 Å²	40.6	49%	0.491	23%	0.229	S	C	.	.			trans	-119.9	146.2	178.5	-52.7	-58.5	174.9	-136.3	0	110.6	D279 G283 Q284 V306	D279-K281 WeakPolarHBondContact O-CD 3.32Å; D279-K281 WeakPolarHBondContact O-CE 3.13Å; D279-K281 PolarHBondContact O-NZ 2.9Å; K281-G283 PolarHBondContact O-N 3.25Å; K281-Q284 HydrophobicContact CB-CG 4.14Å; K281-Q284 VanDerWaalsContact O-CB 3.32Å; K281-Q284 WeakPolarHBondContact O-CB 3.38Å; K281-Q284 WeakPolarHBondContact O-CG 3.39Å; K281-Q284 PolarHBondContact O-N 3.38Å; K281-Q284 VanDerWaalsContact O-N 3.12Å; K281-V306 WeakPolarHBondContact O-CG1 3.1Å
282	P	96.8	Very high	97.7	Very high	92 Å²	92	40.6 Å²	40.6	60%	0.597	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	135.6	175.2	-29.8	36.5	0	0	0	112.9	Q284 F304 D305	P282-Q284 VanDerWaalsContact C-N 3.3Å; P282-Q284 PolarHBondContact O-N 2.89Å; P282-F304 WeakPolarHBondContact CA-O 3.23Å; P282-D305 WeakPolarHBondContact CA-O 3.46Å; P282-D305 HydrophobicContact CB-CB 4.05Å; P282-D305 HydrophobicContact CG-CB 4.39Å
283	G	92.6	Very high	97.6	Very high	67 Å²	67	34.9 Å²	34.9	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-3.9	-179.8	0	0	0	0	0	115.9	K281 D305	K281-G283 PolarHBondContact O-N 3.25Å; G283-D305 PolarHBondContact N-O 3.45Å
284	Q	98	Very high	97.5	Very high	49 Å²	49	31.8 Å²	31.8	23%	0.229	19%	0.19	C	C	.	.			trans	-67.1	156.2	171	-75.4	-177.1	-36.1	0	0	111.7	K281 P282 V306 H307 D350	K281-Q284 HydrophobicContact CB-CG 4.14Å; K281-Q284 VanDerWaalsContact O-CB 3.32Å; K281-Q284 WeakPolarHBondContact O-CB 3.38Å; K281-Q284 WeakPolarHBondContact O-CG 3.39Å; K281-Q284 PolarHBondContact O-N 3.38Å; K281-Q284 VanDerWaalsContact O-N 3.12Å; P282-Q284 VanDerWaalsContact C-N 3.3Å; P282-Q284 PolarHBondContact O-N 2.89Å; Q284-V306 HydrophobicContact CB-CG1 4.04Å; Q284-V306 WeakPolarHBondContact O-CA 3.38Å; Q284-V306 WeakPolarHBondContact O-CB 3.36Å; Q284-H307 PolarHBondContact O-N 2.71Å; Q284-D350 HydrophobicContact CB-CB 3.91Å; Q284-D350 HydrophobicContact CG-CB 3.93Å
285	K	98	Very high	97.4	Very high	65 Å²	65	32.2 Å²	32.2	28%	0.283	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.4	178.1	-161.2	172.4	-176.8	165.3	0	110.9	H307 V309 E333 F349 D350 V351	K285-H307 CarbonylContact C-O 3.57Å; K285-H307 VanDerWaalsContact CA-O 3.31Å; K285-H307 WeakPolarHBondContact CA-O 3.42Å; K285-H307 VanDerWaalsContact CE-CD2 3.45Å; K285-H307 WeakPolarHBondContact CE-CD2 3.37Å; K285-V309 HydrophobicContact CD-CG2 4.42Å; K285-V309 HydrophobicContact CG-CG2 4.39Å; K285-E333 IonicContact NZ-OE1 3.69Å; K285-F349 HydrophobicContact CD-CD1 4.21Å; K285-F349 HydrophobicContact CD-CE1 4.26Å; K285-F349 HydrophobicContact CG-CD1 3.96Å; K285-F349 HydrophobicContact CG-CE1 4.33Å; K285-D350 PolarHBondContact N-OD2 3.2Å; K285-D350 PolarHBondContact O-N 3.37Å; K285-V351 PolarHBondContact O-N 3.48Å
286	V	98.7	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.4	179.4	-173.7	0	0	0	0	109.2	L280 M300 V306 H307 V308 V309 V351	L280-V286 HydrophobicContact CD2-CG2 3.81Å; V286-M300 HydrophobicContact CG1-CE 4.13Å; V286-M300 HydrophobicContact CG1-SD 4.03Å; V286-V306 HydrophobicContact CG2-CB 4.25Å; V286-V306 HydrophobicContact CG2-CG2 4.08Å; V286-H307 PolarHBondContact N-O 2.92Å; V286-V308 HydrophobicContact CB-CG1 4.45Å; V286-V308 HydrophobicContact CB-CG2 4.37Å; V286-V308 CarbonylContact O-C 3.59Å; V286-V308 WeakPolarHBondContact O-CA 3.47Å; V286-V309 PolarHBondContact O-N 3.22Å; V286-V351 WeakPolarHBondContact CA-O 3.44Å; V286-V351 HydrophobicContact CG1-CB 4.22Å; V286-V351 HydrophobicContact CG1-CG1 4.26Å; V286-V351 HydrophobicContact CG2-CB 4.24Å
287	L	98.7	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.1	164.3	175.5	67.2	0	0	0	108.4	V289 V309 I311 Y344 F349 V351 I352 Y353 W374	L287-V289 HydrophobicContact CD2-CG2 3.89Å; L287-V289 HydrophobicContact CG-CG2 3.89Å; L287-V309 CarbonylContact C-O 3.47Å; L287-V309 WeakPolarHBondContact CA-O 3.31Å; L287-V309 HydrophobicContact CD1-CB 4.35Å; L287-V309 HydrophobicContact CD1-CG1 4.22Å; L287-V309 WeakPolarHBondContact CD1-O 3.42Å; L287-I311 HydrophobicContact CD1-CD1 4.37Å; L287-I311 HydrophobicContact CD1-CG1 4.34Å; L287-I311 HydrophobicContact CD1-CG2 4.41Å; L287-Y344 HydrophobicContact CD1-CE2 3.99Å; L287-Y344 HydrophobicContact CD2-CE2 4.34Å; L287-F349 HydrophobicContact CB-CB 4.47Å; L287-F349 HydrophobicContact CB-CD1 3.67Å; L287-F349 HydrophobicContact CB-CD2 3.94Å; L287-F349 HydrophobicContact CB-CE1 3.77Å; L287-F349 HydrophobicContact CB-CE2 4.05Å; L287-F349 HydrophobicContact CB-CG 3.76Å; L287-F349 HydrophobicContact CB-CZ 3.96Å; L287-F349 HydrophobicContact CD1-CE1 4.31Å; L287-F349 HydrophobicContact CD1-CE2 4.44Å; L287-F349 HydrophobicContact CD1-CZ 4Å; L287-F349 HydrophobicContact CD2-CD2 4.14Å; L287-F349 HydrophobicContact CD2-CE2 3.84Å; L287-F349 HydrophobicContact CD2-CZ 4.24Å; L287-F349 HydrophobicContact CG-CE2 4.34Å; L287-F349 HydrophobicContact CG-CZ 4.29Å; L287-V351 PolarHBondContact N-O 3.04Å; L287-I352 HydrophobicContact CB-CG1 4.22Å; L287-I352 HydrophobicContact CD2-CG1 4.26Å; L287-I352 HydrophobicContact CD2-CG2 4.43Å; L287-I352 WeakPolarHBondContact O-CA 3.24Å; L287-Y353 PolarHBondContact O-N 3.42Å; L287-W374 HydrophobicContact CD2-CE3 3.64Å; L287-W374 HydrophobicContact CD2-CZ3 3.88Å
288	D	98.8	Very high	97.3	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.4	169.2	-165.8	-15.9	0	0	0	109.8	C291 D297 V308 V309 I311 Y353	D288-C291 HydrophobicContact CB-CB 4.11Å; D288-D297 WeakPolarHBondContact CB-OD1 3.41Å; D288-V308 HydrophobicContact CB-CG1 4.27Å; D288-V309 PolarHBondContact N-O 3.4Å; D288-I311 PolarHBondContact O-N 3.33Å; D288-Y353 WeakPolarHBondContact CA-O 3.47Å; D288-Y353 HydrophobicContact CB-CD1 4.18Å; D288-Y353 VanDerWaalsContact CG-CD1 3.45Å; D288-Y353 VanDerWaalsContact OD2-CD1 3.23Å; D288-Y353 WeakPolarHBondContact OD2-CD1 3.05Å; D288-Y353 WeakPolarHBondContact OD2-CE1 3.03Å
289	V	98.6	Very high	97.3	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.1	-179	-178.3	0	0	0	0	109.9	L287 I311 C339 I352 Y353 S354 T357 F371	L287-V289 HydrophobicContact CD2-CG2 3.89Å; L287-V289 HydrophobicContact CG-CG2 3.89Å; V289-I311 HydrophobicContact CG2-CD1 4.42Å; V289-I311 HydrophobicContact CG2-CG1 4.5Å; V289-C339 HydrophobicContact CG1-CB 3.55Å; V289-I352 HydrophobicContact CG2-CG2 4.3Å; V289-Y353 PolarHBondContact N-O 3.43Å; V289-S354 WeakPolarHBondContact O-CB 3.45Å; V289-S354 PolarHBondContact O-OG 3.09Å; V289-T357 WeakPolarHBondContact O-CB 3.5Å; V289-T357 PolarHBondContact O-OG1 3.15Å; V289-T357 VanDerWaalsContact O-OG1 3.07Å; V289-F371 HydrophobicContact CB-CZ 4.22Å; V289-F371 HydrophobicContact CG1-CZ 4.19Å; V289-F371 HydrophobicContact CG2-CE1 3.89Å; V289-F371 HydrophobicContact CG2-CZ 3.76Å
290	G	97.9	Very high	97.4	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	55.6	-167.7	0	0	0	0	0	111.3	G292 I311 D312	G290-G292 PolarHBondContact O-N 3.48Å; G290-G292 VanDerWaalsContact O-N 3.14Å; G290-I311 VanDerWaalsContact CA-O 3.25Å; G290-I311 WeakPolarHBondContact CA-O 3.31Å; G290-I311 PolarHBondContact N-O 2.93Å; G290-D312 WeakPolarHBondContact CA-OD2 3.26Å
291	C	97.6	Very high	97.3	Very high	10 Å²	10	23 Å²	23	7%	0.068	14%	0.14	C	C	.	.			trans	-65.9	-12.8	-176.2	64.1	0	0	0	0	113.6	D288 I293 G294 D297 G310 I311 I318 F334	D288-C291 HydrophobicContact CB-CB 4.11Å; C291-I293 PolarHBondContact O-N 3.07Å; C291-G294 PolarHBondContact O-N 3.06Å; C291-G294 VanDerWaalsContact O-N 3.14Å; C291-D297 WeakPolarHBondContact CB-OD2 3.43Å; C291-G310 VanDerWaalsContact SG-C 3.55Å; C291-I311 PolarHBondContact N-O 2.97Å; C291-I318 VanDerWaalsContact SG-CD1 3.52Å; C291-F334 HydrophobicContact CB-CD1 4.39Å; C291-F334 HydrophobicContact CB-CE1 4.15Å
292	G	96.6	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-128	180	0	0	0	0	0	111.8	G290 D312 M317	G290-G292 PolarHBondContact O-N 3.48Å; G290-G292 VanDerWaalsContact O-N 3.14Å; G292-D312 WeakPolarHBondContact CA-OD2 3.41Å; G292-D312 PolarHBondContact N-OD2 3.28Å; G292-M317 CarbonylContact O-C 3.58Å
293	I	95.7	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	13.3	-178.7	67.9	-171.1	0	0	0	114.2	I251 E255 G261 V263 C291 M317 F320 R324	I251-I293 HydrophobicContact CG2-CD1 4.48Å; I251-I293 HydrophobicContact CG2-CG2 3.49Å; I251-I293 VanDerWaalsContact CG2-CG2 3.49Å; E255-I293 HydrophobicContact CB-CD1 4.01Å; E255-I293 HydrophobicContact CG-CD1 4.03Å; G261-I293 VanDerWaalsContact O-CG1 3.26Å; G261-I293 WeakPolarHBondContact O-CG1 3.29Å; V263-I293 HydrophobicContact CG1-CD1 3.95Å; V263-I293 HydrophobicContact CG1-CG1 4.38Å; C291-I293 PolarHBondContact O-N 3.07Å; I293-M317 HydrophobicContact CG2-SD 3.6Å; I293-M317 VanDerWaalsContact CG2-SD 3.6Å; I293-F320 HydrophobicContact CB-CB 3.95Å; I293-F320 HydrophobicContact CG2-CB 3.61Å; I293-F320 HydrophobicContact CG2-CD2 4.07Å; I293-F320 HydrophobicContact CG2-CG 4.11Å; I293-R324 WeakPolarHBondContact O-CD 3.47Å
294	G	96.5	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	94.3	-6.7	164.1	0	0	0	0	0	117.5	C291 G296 D297 F298	C291-G294 PolarHBondContact O-N 3.06Å; C291-G294 VanDerWaalsContact O-N 3.14Å; G294-G296 VanDerWaalsContact C-N 3.31Å; G294-G296 PolarHBondContact O-N 3.36Å; G294-D297 VanDerWaalsContact CA-OD2 3.22Å; G294-D297 WeakPolarHBondContact CA-OD2 3.37Å; G294-D297 WeakPolarHBondContact O-CB 3.05Å; G294-D297 PolarHBondContact O-N 3.48Å; G294-D297 VanDerWaalsContact O-N 3.09Å; G294-F298 VanDerWaalsContact C-CD2 3.5Å; G294-F298 WeakPolarHBondContact O-CD2 3.37Å; G294-F298 WeakPolarHBondContact O-CE2 3.49Å; G294-F298 WeakPolarHBondContact O-CG 3.48Å; G294-F298 PolarHBondContact O-N 3.32Å
295	G	97.5	Very high	97.2	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-33.8	-171.2	0	0	0	0	0	114.4	G261 Y262 Y299	G261-G295 WeakPolarHBondContact O-CA 3.44Å; G261-G295 PolarHBondContact O-N 2.98Å; Y262-G295 PolarHBondContact OH-O 3.05Å; G295-Y299 WeakPolarHBondContact O-CB 3.43Å; G295-Y299 PolarHBondContact O-N 2.9Å
296	G	98.2	Very high	97.1	Very high	7 Å²	7	22.6 Å²	22.6	7%	0.072	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-43.1	173.3	0	0	0	0	0	112.2	G294 Y299 M300	G294-G296 VanDerWaalsContact C-N 3.31Å; G294-G296 PolarHBondContact O-N 3.36Å; G296-Y299 PolarHBondContact O-N 3.49Å; G296-M300 WeakPolarHBondContact O-CG 2.96Å; G296-M300 PolarHBondContact O-N 3.38Å
297	D	98	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-47.1	-179.5	-46.5	-93.3	0	0	0	111.9	D288 C291 G294 Y299 M300 A301 V308 V332 F334	D288-D297 WeakPolarHBondContact CB-OD1 3.41Å; C291-D297 WeakPolarHBondContact CB-OD2 3.43Å; G294-D297 VanDerWaalsContact CA-OD2 3.22Å; G294-D297 WeakPolarHBondContact CA-OD2 3.37Å; G294-D297 WeakPolarHBondContact O-CB 3.05Å; G294-D297 PolarHBondContact O-N 3.48Å; G294-D297 VanDerWaalsContact O-N 3.09Å; D297-Y299 VanDerWaalsContact C-N 3.34Å; D297-Y299 PolarHBondContact O-N 2.92Å; D297-M300 PolarHBondContact O-N 3.08Å; D297-A301 WeakPolarHBondContact O-CB 3.26Å; D297-A301 PolarHBondContact O-N 2.97Å; D297-V308 HydrophobicContact CB-CB 4.23Å; D297-V308 HydrophobicContact CB-CG1 3.78Å; D297-V308 WeakPolarHBondContact OD1-CG1 3.25Å; D297-V332 HydrophobicContact CB-CG1 3.82Å; D297-V332 HydrophobicContact CB-CG2 4.37Å; D297-F334 HydrophobicContact CB-CE1 4Å; D297-F334 HydrophobicContact CB-CZ 3.95Å
298	F	96	Very high	96.8	Very high	23 Å²	23	25 Å²	25	10%	0.101	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-46.7	176.3	-55.9	-39.7	0	0	0	110.8	G294 M300 A301 E302 R324 A325 L328 V332 F334	G294-F298 VanDerWaalsContact C-CD2 3.5Å; G294-F298 WeakPolarHBondContact O-CD2 3.37Å; G294-F298 WeakPolarHBondContact O-CE2 3.49Å; G294-F298 WeakPolarHBondContact O-CG 3.48Å; G294-F298 PolarHBondContact O-N 3.32Å; F298-M300 PolarHBondContact O-N 2.9Å; F298-A301 PolarHBondContact O-N 3.03Å; F298-E302 VanDerWaalsContact O-CB 3.31Å; F298-E302 WeakPolarHBondContact O-CB 3.5Å; F298-E302 VanDerWaalsContact O-CG 3.29Å; F298-E302 WeakPolarHBondContact O-CG 3.1Å; F298-E302 PolarHBondContact O-N 3.42Å; F298-R324 HydrophobicContact CE2-CB 3.63Å; F298-R324 HydrophobicContact CZ-CB 3.82Å; F298-A325 HydrophobicContact CE1-CB 3.77Å; F298-A325 HydrophobicContact CZ-CB 4Å; F298-L328 HydrophobicContact CB-CD1 4.45Å; F298-L328 HydrophobicContact CD1-CD1 3.39Å; F298-L328 HydrophobicContact CD2-CD1 4.3Å; F298-L328 HydrophobicContact CE1-CD1 3.59Å; F298-L328 HydrophobicContact CE2-CD1 4.48Å; F298-L328 HydrophobicContact CG-CD1 3.8Å; F298-L328 HydrophobicContact CZ-CD1 4.16Å; F298-V332 HydrophobicContact CD1-CG2 4.19Å; F298-V332 HydrophobicContact CE1-CG1 4.49Å; F298-F334 AromaticContact CE1-CE2 3.57Å; F298-F334 HydrophobicContact CE1-CE2 3.57Å; F298-F334 AromaticContact CE1-CZ 3.74Å; F298-F334 HydrophobicContact CE1-CZ 3.74Å; F298-F334 AromaticContact CZ-CE2 3.69Å; F298-F334 HydrophobicContact CZ-CE2 3.69Å; F298-F334 AromaticContact CZ-CZ 3.85Å; F298-F334 HydrophobicContact CZ-CZ 3.85Å
299	Y	97.8	Very high	96.6	Very high	20 Å²	20	24.9 Å²	24.9	8%	0.078	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-49	177.6	171.4	-106.1	0	0	0	112.2	F268 T271 V275 G295 G296 D297 N303 F304	F268-Y299 HydrophobicContact CD2-CD2 4.37Å; F268-Y299 AromaticContact CE2-CD2 3.45Å; F268-Y299 HydrophobicContact CE2-CD2 3.45Å; F268-Y299 VanDerWaalsContact CE2-CD2 3.45Å; F268-Y299 AromaticContact CE2-CE2 3.81Å; F268-Y299 HydrophobicContact CE2-CE2 3.81Å; F268-Y299 HydrophobicContact CE2-CG 4.19Å; F268-Y299 HydrophobicContact CZ-CD2 4.03Å; F268-Y299 AromaticContact CZ-CE2 3.92Å; F268-Y299 HydrophobicContact CZ-CE2 3.92Å; T271-Y299 HydrophobicContact CG2-CD1 3.75Å; T271-Y299 HydrophobicContact CG2-CE1 4.35Å; T271-Y299 HydrophobicContact CG2-CG 4.42Å; V275-Y299 HydrophobicContact CB-CD1 4.42Å; V275-Y299 HydrophobicContact CB-CE1 3.84Å; V275-Y299 HydrophobicContact CG1-CD1 4.41Å; V275-Y299 HydrophobicContact CG1-CE1 3.85Å; V275-Y299 HydrophobicContact CG2-CD1 4.17Å; V275-Y299 HydrophobicContact CG2-CE1 4.07Å; G295-Y299 WeakPolarHBondContact O-CB 3.43Å; G295-Y299 PolarHBondContact O-N 2.9Å; G296-Y299 PolarHBondContact O-N 3.49Å; D297-Y299 VanDerWaalsContact C-N 3.34Å; D297-Y299 PolarHBondContact O-N 2.92Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.47Å; Y299-N303 HydrophobicContact CE2-CB 4.21Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.33Å; Y299-N303 WeakPolarHBondContact O-CB 3.43Å; Y299-N303 PolarHBondContact O-N 3.45Å; Y299-N303 VanDerWaalsContact O-N 3.08Å; Y299-N303 PolarHBondContact O-ND2 3.22Å; Y299-F304 HydrophobicContact CE1-CE2 4.01Å
300	M	98.3	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-50.6	178.7	-73.7	-172.9	-69.7	0	0	111.4	V275 M278 L280 V286 G296 D297 F298 E302 F304 V306 V308 Y353	V275-M300 HydrophobicContact CG1-CG 3.91Å; V275-M300 HydrophobicContact CG2-CG 3.76Å; V275-M300 HydrophobicContact CG2-SD 4.08Å; M278-M300 HydrophobicContact SD-SD 4.28Å; L280-M300 HydrophobicContact CD1-CB 4.26Å; L280-M300 HydrophobicContact CD1-CG 4.09Å; L280-M300 HydrophobicContact CD1-SD 4.25Å; V286-M300 HydrophobicContact CG1-CE 4.13Å; V286-M300 HydrophobicContact CG1-SD 4.03Å; G296-M300 WeakPolarHBondContact O-CG 2.96Å; G296-M300 PolarHBondContact O-N 3.38Å; D297-M300 PolarHBondContact O-N 3.08Å; F298-M300 PolarHBondContact O-N 2.9Å; M300-E302 PolarHBondContact O-N 3.01Å; M300-F304 WeakPolarHBondContact O-CB 3.3Å; M300-F304 WeakPolarHBondContact O-CD2 3.3Å; M300-F304 PolarHBondContact O-N 3.02Å; M300-V306 HydrophobicContact CB-CG2 4.04Å; M300-V306 WeakPolarHBondContact O-CG2 3.42Å; M300-V308 HydrophobicContact CB-CG2 3.93Å; M300-V308 HydrophobicContact CE-CG1 3.97Å; M300-V308 HydrophobicContact CE-CG2 4.22Å; M300-Y353 HydrophobicContact CE-CD1 3.64Å; M300-Y353 HydrophobicContact CE-CE1 3.93Å; M300-Y353 HydrophobicContact CE-CG 4.5Å; M300-Y353 HydrophobicContact SD-CD1 4.19Å; M300-Y353 HydrophobicContact SD-CE1 4.44Å
301	A	95.5	Very high	96.4	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-65.4	-40.8	-176.4	0	0	0	0	0	112.6	D297 F298 D305 V308 C330 V332	D297-A301 WeakPolarHBondContact O-CB 3.26Å; D297-A301 PolarHBondContact O-N 2.97Å; F298-A301 PolarHBondContact O-N 3.03Å; A301-D305 WeakPolarHBondContact O-CA 3.34Å; A301-D305 PolarHBondContact O-N 3.16Å; A301-V308 HydrophobicContact CB-CG2 4.12Å; A301-C330 HydrophobicContact CB-CB 3.66Å; A301-V332 HydrophobicContact CB-CG2 3.5Å
302	E	94.9	Very high	96.2	Very high	116 Å²	116	24.7 Å²	24.7	54%	0.542	13%	0.127	S	C	.	.	H	α-helix	trans	-72.6	-37.4	-179.5	-71.2	-177.2	164.2	0	0	113.5	F298 M300 C330	F298-E302 VanDerWaalsContact O-CB 3.31Å; F298-E302 WeakPolarHBondContact O-CB 3.5Å; F298-E302 VanDerWaalsContact O-CG 3.29Å; F298-E302 WeakPolarHBondContact O-CG 3.1Å; F298-E302 PolarHBondContact O-N 3.42Å; M300-E302 PolarHBondContact O-N 3.01Å; E302-C330 HydrophobicContact CG-CB 3.71Å
303	N	96.7	Very high	95.9	Very high	97 Å²	97	25.9 Å²	25.9	52%	0.519	13%	0.132	S	C	.	.	H	α-helix	trans	-92.4	-21.3	-172.8	-70.1	-93.7	0	0	0	113.6	Y299	Y299-N303 WeakPolarHBondContact CD2-ND2 3.47Å; Y299-N303 HydrophobicContact CE2-CB 4.21Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.33Å; Y299-N303 WeakPolarHBondContact O-CB 3.43Å; Y299-N303 PolarHBondContact O-N 3.45Å; Y299-N303 VanDerWaalsContact O-N 3.08Å; Y299-N303 PolarHBondContact O-ND2 3.22Å
304	F	97.1	Very high	95.6	Very high	52 Å²	52	25.9 Å²	25.9	23%	0.228	13%	0.132	C	C	.	.	H	α-helix	trans	-123.4	-1.1	-174.5	-58.3	-90	0	0	0	114.2	V275 L280 P282 Y299 M300 V306	V275-F304 HydrophobicContact CG1-CD2 4.02Å; V275-F304 HydrophobicContact CG1-CE2 3.39Å; V275-F304 HydrophobicContact CG1-CZ 3.8Å; L280-F304 HydrophobicContact CB-CB 3.79Å; L280-F304 HydrophobicContact CB-CD1 3.77Å; L280-F304 HydrophobicContact CB-CG 3.82Å; L280-F304 HydrophobicContact CD1-CB 4.12Å; L280-F304 HydrophobicContact CD1-CD2 4.03Å; L280-F304 HydrophobicContact CD1-CG 3.99Å; P282-F304 WeakPolarHBondContact CA-O 3.23Å; Y299-F304 HydrophobicContact CE1-CE2 4.01Å; M300-F304 WeakPolarHBondContact O-CB 3.3Å; M300-F304 WeakPolarHBondContact O-CD2 3.3Å; M300-F304 PolarHBondContact O-N 3.02Å; F304-V306 HydrophobicContact CB-CG1 4.08Å; F304-V306 HydrophobicContact CB-CG2 4.47Å; F304-V306 PolarHBondContact O-N 2.86Å
305	D	93.9	Very high	94.9	Very high	111 Å²	111	26.1 Å²	26.1	59%	0.594	13%	0.134	S	C	*	.			trans	54.4	38.9	-178.5	-168.1	36.9	0	0	0	112.5	P282 G283 A301	P282-D305 WeakPolarHBondContact CA-O 3.46Å; P282-D305 HydrophobicContact CB-CB 4.05Å; P282-D305 HydrophobicContact CG-CB 4.39Å; G283-D305 PolarHBondContact N-O 3.45Å; A301-D305 WeakPolarHBondContact O-CA 3.34Å; A301-D305 PolarHBondContact O-N 3.16Å
306	V	96.5	Very high	94.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-95.4	159.1	175.2	-63.7	0	0	0	0	111	L280 K281 Q284 V286 M300 F304 V308	L280-V306 HydrophobicContact CB-CG1 4.06Å; L280-V306 HydrophobicContact CD1-CG1 4.35Å; L280-V306 HydrophobicContact CD1-CG2 4.24Å; L280-V306 HydrophobicContact CD2-CG1 4.4Å; L280-V306 HydrophobicContact CG-CG1 4.5Å; K281-V306 WeakPolarHBondContact O-CG1 3.1Å; Q284-V306 HydrophobicContact CB-CG1 4.04Å; Q284-V306 WeakPolarHBondContact O-CA 3.38Å; Q284-V306 WeakPolarHBondContact O-CB 3.36Å; V286-V306 HydrophobicContact CG2-CB 4.25Å; V286-V306 HydrophobicContact CG2-CG2 4.08Å; M300-V306 HydrophobicContact CB-CG2 4.04Å; M300-V306 WeakPolarHBondContact O-CG2 3.42Å; F304-V306 HydrophobicContact CB-CG1 4.08Å; F304-V306 HydrophobicContact CB-CG2 4.47Å; F304-V306 PolarHBondContact O-N 2.86Å; V306-V308 HydrophobicContact CG2-CG2 3.93Å
307	H	94	Very high	94.1	Very high	50 Å²	50	27.2 Å²	27.2	23%	0.231	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.3	168.6	179.2	40.8	0	0	0	110.5	Q284 K285 V286 S331 E333	Q284-H307 PolarHBondContact O-N 2.71Å; K285-H307 CarbonylContact C-O 3.57Å; K285-H307 VanDerWaalsContact CA-O 3.31Å; K285-H307 WeakPolarHBondContact CA-O 3.42Å; K285-H307 VanDerWaalsContact CE-CD2 3.45Å; K285-H307 WeakPolarHBondContact CE-CD2 3.37Å; V286-H307 PolarHBondContact N-O 2.92Å; H307-S331 CarbonylContact C-O 3.59Å; H307-S331 VanDerWaalsContact CA-O 3.24Å; H307-S331 WeakPolarHBondContact CA-O 3.45Å; H307-S331 PolarHBondContact ND1-O 2.72Å; H307-S331 PolarHBondContact ND1-OG 2.79Å; H307-E333 IonicContact NE2-OE1 3.01Å
308	V	96.3	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.6	179.8	-169.6	0	0	0	0	110.3	V286 D288 D297 M300 A301 V306 S331 V332 E333	V286-V308 HydrophobicContact CB-CG1 4.45Å; V286-V308 HydrophobicContact CB-CG2 4.37Å; V286-V308 CarbonylContact O-C 3.59Å; V286-V308 WeakPolarHBondContact O-CA 3.47Å; D288-V308 HydrophobicContact CB-CG1 4.27Å; D297-V308 HydrophobicContact CB-CB 4.23Å; D297-V308 HydrophobicContact CB-CG1 3.78Å; D297-V308 WeakPolarHBondContact OD1-CG1 3.25Å; M300-V308 HydrophobicContact CB-CG2 3.93Å; M300-V308 HydrophobicContact CE-CG1 3.97Å; M300-V308 HydrophobicContact CE-CG2 4.22Å; A301-V308 HydrophobicContact CB-CG2 4.12Å; V306-V308 HydrophobicContact CG2-CG2 3.93Å; V308-S331 PolarHBondContact N-O 3.04Å; V308-V332 HydrophobicContact CB-CG1 4.43Å; V308-V332 HydrophobicContact CB-CG2 4.29Å; V308-V332 CarbonylContact O-C 3.56Å; V308-V332 WeakPolarHBondContact O-CA 3.46Å; V308-E333 PolarHBondContact O-N 2.91Å
309	V	94.7	Very high	92.9	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	102.4	169.9	-176.4	0	0	0	0	107	K285 V286 L287 D288 E333 F349	K285-V309 HydrophobicContact CD-CG2 4.42Å; K285-V309 HydrophobicContact CG-CG2 4.39Å; V286-V309 PolarHBondContact O-N 3.22Å; L287-V309 CarbonylContact C-O 3.47Å; L287-V309 WeakPolarHBondContact CA-O 3.31Å; L287-V309 HydrophobicContact CD1-CB 4.35Å; L287-V309 HydrophobicContact CD1-CG1 4.22Å; L287-V309 WeakPolarHBondContact CD1-O 3.42Å; D288-V309 PolarHBondContact N-O 3.4Å; V309-E333 HydrophobicContact CB-CG 4.15Å; V309-E333 HydrophobicContact CG1-CG 4.03Å; V309-E333 HydrophobicContact CG2-CG 3.9Å; V309-E333 WeakPolarHBondContact CG2-OE1 3.31Å; V309-F349 HydrophobicContact CB-CE1 4.13Å; V309-F349 HydrophobicContact CG2-CE1 3.98Å
310	G	96.4	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.3	177.7	0	0	0	0	0	111.2	C291 E333 F334 E335	C291-G310 VanDerWaalsContact SG-C 3.55Å; G310-E333 PolarHBondContact N-O 3.47Å; G310-F334 CarbonylContact O-C 3.59Å; G310-F334 VanDerWaalsContact O-CA 3.31Å; G310-F334 WeakPolarHBondContact O-CA 3.48Å; G310-E335 PolarHBondContact O-N 2.91Å
311	I	95.5	Very high	92	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.9	170.7	65	173.3	0	0	0	111.2	L287 D288 V289 G290 C291 E335 A337 C339 Y344	L287-I311 HydrophobicContact CD1-CD1 4.37Å; L287-I311 HydrophobicContact CD1-CG1 4.34Å; L287-I311 HydrophobicContact CD1-CG2 4.41Å; D288-I311 PolarHBondContact O-N 3.33Å; V289-I311 HydrophobicContact CG2-CD1 4.42Å; V289-I311 HydrophobicContact CG2-CG1 4.5Å; G290-I311 VanDerWaalsContact CA-O 3.25Å; G290-I311 WeakPolarHBondContact CA-O 3.31Å; G290-I311 PolarHBondContact N-O 2.93Å; C291-I311 PolarHBondContact N-O 2.97Å; I311-E335 WeakPolarHBondContact CA-O 3.44Å; I311-E335 HydrophobicContact CG2-CB 4.24Å; I311-A337 HydrophobicContact CB-CB 4.25Å; I311-A337 HydrophobicContact CG2-CB 4.28Å; I311-C339 HydrophobicContact CD1-CB 3.86Å; I311-Y344 VanDerWaalsContact CG2-OH 3.26Å; I311-Y344 WeakPolarHBondContact CG2-OH 3.14Å
312	D	94.4	Very high	91.3	Very high	21 Å²	21	27.6 Å²	27.6	11%	0.112	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.9	171.8	-157.6	-64.7	0	0	0	109.4	G290 G292 S314 M317 I318 E335 V336 A337	G290-D312 WeakPolarHBondContact CA-OD2 3.26Å; G292-D312 WeakPolarHBondContact CA-OD2 3.41Å; G292-D312 PolarHBondContact N-OD2 3.28Å; D312-S314 WeakPolarHBondContact OD1-CB 3.31Å; D312-S314 PolarHBondContact OD1-N 2.99Å; D312-M317 HydrophobicContact CB-CB 4.27Å; D312-I318 HydrophobicContact CB-CD1 3.66Å; D312-I318 HydrophobicContact CB-CG1 3.87Å; D312-E335 PolarHBondContact N-O 2.94Å; D312-V336 CarbonylContact O-C 3.59Å; D312-V336 VanDerWaalsContact O-CA 3.25Å; D312-V336 WeakPolarHBondContact O-CA 3.31Å; D312-A337 CarbonylContact C-O 3.57Å; D312-A337 PolarHBondContact O-N 2.78Å
313	L	91	Very high	90.7	Very high	27 Å²	27	25.8 Å²	25.8	14%	0.141	13%	0.131	C	C	.	.	S	Bend	trans	-78.4	-28.2	177.2	-176.5	56.4	0	0	0	111.5	F237 Q238 L241 V315 D338	F237-L313 HydrophobicContact CD1-CD2 3.62Å; F237-L313 HydrophobicContact CE1-CD2 4.03Å; Q238-L313 HydrophobicContact CB-CD1 4.18Å; Q238-L313 HydrophobicContact CB-CD2 4.31Å; Q238-L313 HydrophobicContact CB-CG 4.06Å; Q238-L313 HydrophobicContact CG-CD1 4.2Å; Q238-L313 HydrophobicContact CG-CG 4.14Å; Q238-L313 PolarHBondContact NE2-O 3.36Å; L241-L313 HydrophobicContact CD1-CB 4Å; L241-L313 HydrophobicContact CD1-CD2 3.8Å; L241-L313 HydrophobicContact CD1-CG 4.03Å; L313-V315 PolarHBondContact O-N 3.29Å; L313-D338 HydrophobicContact CD1-CB 3.9Å
314	S	88.9	Confident	90.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.119	C	C	.	.			trans	-73.3	122	-179.3	169.7	0	0	0	0	111	D242 D312 N316 M317 I318	D242-S314 WeakPolarHBondContact OD1-CA 3.41Å; D242-S314 VanDerWaalsContact OD1-CB 3.31Å; D242-S314 WeakPolarHBondContact OD1-CB 3.48Å; D242-S314 PolarHBondContact OD1-OG 3.38Å; D312-S314 WeakPolarHBondContact OD1-CB 3.31Å; D312-S314 PolarHBondContact OD1-N 2.99Å; S314-N316 PolarHBondContact O-N 3.13Å; S314-N316 PolarHBondContact OG-N 3.25Å; S314-M317 PolarHBondContact O-N 2.9Å; S314-M317 WeakPolarHBondContact OG-CG 3.13Å; S314-M317 PolarHBondContact OG-N 2.97Å; S314-M317 VanDerWaalsContact OG-N 3.11Å; S314-I318 PolarHBondContact O-N 3.14Å
315	V	82	Confident	89.6	Confident	5 Å²	5	22 Å²	22	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-36.2	173.6	174.8	0	0	0	0	110.3	T183 M203 D242 L313 S319 V336	T183-V315 HydrophobicContact CG2-CG1 3.2Å; M203-V315 HydrophobicContact CB-CG2 4.15Å; M203-V315 HydrophobicContact CE-CG1 3.6Å; M203-V315 HydrophobicContact CE-CG2 4.21Å; M203-V315 HydrophobicContact SD-CG1 4.18Å; M203-V315 HydrophobicContact SD-CG2 4.06Å; D242-V315 PolarHBondContact OD1-N 3.46Å; D242-V315 VanDerWaalsContact OD1-N 3.11Å; D242-V315 PolarHBondContact OD2-N 3.11Å; L313-V315 PolarHBondContact O-N 3.29Å; V315-S319 VanDerWaalsContact O-CB 3.3Å; V315-S319 WeakPolarHBondContact O-CB 3.38Å; V315-S319 PolarHBondContact O-N 3.46Å; V315-S319 PolarHBondContact O-OG 3.31Å; V315-V336 HydrophobicContact CG2-CG1 4.11Å; V315-V336 HydrophobicContact CG2-CG2 4.41Å
316	N	85.5	Confident	88.5	Confident	34 Å²	34	19.2 Å²	19.2	18%	0.182	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-44.1	178	-66.9	-30.4	0	0	0	111.7	D242 Y246 I251 S314 S319 F320	D242-N316 PolarHBondContact O-ND2 3.24Å; D242-N316 PolarHBondContact OD1-N 3.21Å; D242-N316 PolarHBondContact OD1-ND2 3.17Å; Y246-N316 PolarHBondContact O-ND2 3.49Å; I251-N316 HydrophobicContact CD1-CB 3.5Å; I251-N316 VanDerWaalsContact CD1-CB 3.5Å; S314-N316 PolarHBondContact O-N 3.13Å; S314-N316 PolarHBondContact OG-N 3.25Å; N316-S319 PolarHBondContact O-N 2.6Å; N316-F320 WeakPolarHBondContact O-CD2 3.39Å; N316-F320 PolarHBondContact O-N 3.17Å
317	M	91.7	Very high	87.3	Confident	4 Å²	4	21.8 Å²	21.8	2%	0.02	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-54.6	178	-74.2	-63.3	-169.4	0	0	112	Y246 I251 V263 G292 I293 D312 S314 S319 F320 A321	Y246-M317 HydrophobicContact CD1-CE 3.25Å; Y246-M317 HydrophobicContact CE1-CE 3.68Å; Y246-M317 HydrophobicContact CG-CE 3.87Å; I251-M317 HydrophobicContact CD1-CE 4.09Å; I251-M317 HydrophobicContact CD1-CG 4.02Å; I251-M317 HydrophobicContact CD1-SD 3.68Å; I251-M317 HydrophobicContact CG1-CE 3.81Å; I251-M317 HydrophobicContact CG1-SD 3.91Å; I251-M317 HydrophobicContact CG2-SD 4.03Å; V263-M317 HydrophobicContact CB-CE 4.13Å; V263-M317 HydrophobicContact CG1-CE 4.04Å; V263-M317 HydrophobicContact CG1-SD 4.33Å; V263-M317 HydrophobicContact CG2-CE 3.8Å; V263-M317 HydrophobicContact CG2-SD 4.24Å; G292-M317 CarbonylContact O-C 3.58Å; I293-M317 HydrophobicContact CG2-SD 3.6Å; I293-M317 VanDerWaalsContact CG2-SD 3.6Å; D312-M317 HydrophobicContact CB-CB 4.27Å; S314-M317 PolarHBondContact O-N 2.9Å; S314-M317 WeakPolarHBondContact OG-CG 3.13Å; S314-M317 PolarHBondContact OG-N 2.97Å; S314-M317 VanDerWaalsContact OG-N 3.11Å; M317-S319 VanDerWaalsContact C-N 3.26Å; M317-S319 PolarHBondContact O-N 3.01Å; M317-F320 PolarHBondContact O-N 3.28Å; M317-F320 VanDerWaalsContact O-N 3.12Å; M317-A321 PolarHBondContact O-N 3.14Å
318	I	88	Confident	86.5	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-34.3	-179.7	-63.1	-62.6	0	0	0	111.6	C291 D312 S314 F320 A321 L322 F334 E335 V336	C291-I318 VanDerWaalsContact SG-CD1 3.52Å; D312-I318 HydrophobicContact CB-CD1 3.66Å; D312-I318 HydrophobicContact CB-CG1 3.87Å; S314-I318 PolarHBondContact O-N 3.14Å; I318-F320 VanDerWaalsContact C-N 3.35Å; I318-F320 PolarHBondContact O-N 3.36Å; I318-A321 PolarHBondContact O-N 2.78Å; I318-L322 HydrophobicContact CG2-CD1 3.75Å; I318-L322 HydrophobicContact CG2-CG 4Å; I318-L322 WeakPolarHBondContact O-CB 3.35Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.46Å; I318-L322 PolarHBondContact O-N 3.46Å; I318-F334 HydrophobicContact CD1-CB 4.15Å; I318-F334 HydrophobicContact CD1-CD1 4.48Å; I318-F334 HydrophobicContact CG2-CB 4.19Å; I318-E335 WeakPolarHBondContact CD1-O 3.47Å; I318-V336 HydrophobicContact CB-CG2 3.6Å; I318-V336 HydrophobicContact CG1-CB 4.44Å; I318-V336 HydrophobicContact CG1-CG2 3.68Å; I318-V336 HydrophobicContact CG2-CG2 3.79Å
319	S	81.3	Confident	85.6	Confident	20 Å²	20	31 Å²	31	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-45	175.2	-63.4	0	0	0	0	111.7	V315 N316 M317 E323	V315-S319 VanDerWaalsContact O-CB 3.3Å; V315-S319 WeakPolarHBondContact O-CB 3.38Å; V315-S319 PolarHBondContact O-N 3.46Å; V315-S319 PolarHBondContact O-OG 3.31Å; N316-S319 PolarHBondContact O-N 2.6Å; M317-S319 VanDerWaalsContact C-N 3.26Å; M317-S319 PolarHBondContact O-N 3.01Å; S319-E323 WeakPolarHBondContact O-CB 3.17Å; S319-E323 PolarHBondContact O-N 3.14Å; S319-E323 VanDerWaalsContact O-N 3.11Å
320	F	88.3	Confident	85	Confident	31 Å²	31	31.6 Å²	31.6	14%	0.136	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-41.9	173.9	-78	-64.8	0	0	0	112.4	I251 L252 I293 N316 M317 I318 E323 R324	I251-F320 HydrophobicContact CB-CD2 4.5Å; I251-F320 HydrophobicContact CB-CE2 4.13Å; I251-F320 HydrophobicContact CD1-CD2 4.17Å; I251-F320 HydrophobicContact CD1-CE2 4.14Å; I251-F320 HydrophobicContact CG2-CD2 3.88Å; I251-F320 HydrophobicContact CG2-CE2 3.91Å; L252-F320 HydrophobicContact CD1-CZ 4.08Å; L252-F320 HydrophobicContact CD2-CE1 3.83Å; L252-F320 HydrophobicContact CD2-CZ 3.84Å; L252-F320 HydrophobicContact CG-CE1 4.29Å; L252-F320 HydrophobicContact CG-CZ 3.8Å; I293-F320 HydrophobicContact CB-CB 3.95Å; I293-F320 HydrophobicContact CG2-CB 3.61Å; I293-F320 HydrophobicContact CG2-CD2 4.07Å; I293-F320 HydrophobicContact CG2-CG 4.11Å; N316-F320 WeakPolarHBondContact O-CD2 3.39Å; N316-F320 PolarHBondContact O-N 3.17Å; M317-F320 PolarHBondContact O-N 3.28Å; M317-F320 VanDerWaalsContact O-N 3.12Å; I318-F320 VanDerWaalsContact C-N 3.35Å; I318-F320 PolarHBondContact O-N 3.36Å; F320-E323 PolarHBondContact O-N 3.15Å; F320-R324 WeakPolarHBondContact O-CD 3.27Å; F320-R324 VanDerWaalsContact O-CG 3.29Å; F320-R324 WeakPolarHBondContact O-CG 3.47Å; F320-R324 PolarHBondContact O-N 3.27Å
321	A	89.9	Confident	84.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-45.5	179.6	0	0	0	0	0	111.8	M317 I318 E323 R324 A325 F334	M317-A321 PolarHBondContact O-N 3.14Å; I318-A321 PolarHBondContact O-N 2.78Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 3.44Å; A321-R324 PolarHBondContact O-N 3.26Å; A321-A325 WeakPolarHBondContact O-CB 3.42Å; A321-A325 PolarHBondContact O-N 3.12Å; A321-F334 HydrophobicContact CB-CD1 3.87Å; A321-F334 HydrophobicContact CB-CD2 3.7Å; A321-F334 HydrophobicContact CB-CE1 3.89Å; A321-F334 HydrophobicContact CB-CE2 3.7Å; A321-F334 HydrophobicContact CB-CG 3.78Å; A321-F334 HydrophobicContact CB-CZ 3.8Å
322	L	81.3	Confident	84.3	Confident	3 Å²	3	34 Å²	34	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-38.7	175.1	-72.1	171.7	0	0	0	112.3	I318 F334	I318-L322 HydrophobicContact CG2-CD1 3.75Å; I318-L322 HydrophobicContact CG2-CG 4Å; I318-L322 WeakPolarHBondContact O-CB 3.35Å; I318-L322 VanDerWaalsContact O-CG 3.3Å; I318-L322 WeakPolarHBondContact O-CG 3.46Å; I318-L322 PolarHBondContact O-N 3.46Å; L322-F334 HydrophobicContact CD2-CB 3.98Å; L322-F334 HydrophobicContact CD2-CD2 4.44Å; L322-F334 HydrophobicContact CG-CB 4.26Å
323	E	81.6	Confident	84	Confident	77 Å²	77	34.5 Å²	34.5	36%	0.36	18%	0.184	S	C	.	.	H	α-helix	trans	-65.4	-41.2	175.9	-172	-176.3	160.6	0	0	111.9	F161 S319 F320 A321 A325 I326	F161-E323 HydrophobicContact CE1-CG 4.49Å; S319-E323 WeakPolarHBondContact O-CB 3.17Å; S319-E323 PolarHBondContact O-N 3.14Å; S319-E323 VanDerWaalsContact O-N 3.11Å; F320-E323 PolarHBondContact O-N 3.15Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 3.44Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.46Å; E323-I326 HydrophobicContact CG-CD1 4.21Å; E323-I326 WeakPolarHBondContact O-CD1 3.44Å; E323-I326 WeakPolarHBondContact O-CG1 3.45Å; E323-I326 PolarHBondContact O-N 2.78Å
324	R	87.3	Confident	83.8	Confident	69 Å²	69	33.2 Å²	33.2	26%	0.26	18%	0.178	S	C	.	.	H	α-helix	trans	-75.7	-23.4	-179.5	-68.9	163	-175.1	-142.6	-4.2	113.3	E255 I293 F298 F320 A321 I326 L328	E255-R324 IonicContact OE1-CZ 3.83Å; E255-R324 IonicContact OE1-NH1 3.58Å; E255-R324 PolarHBondContact OE1-NH1 2.74Å; E255-R324 IonicContact OE1-NH2 2.92Å; E255-R324 PolarHBondContact OE1-NH2 2.86Å; E255-R324 IonicContact OE2-CZ 3.36Å; E255-R324 IonicContact OE2-NH1 2.65Å; E255-R324 IonicContact OE2-NH2 3.18Å; E255-R324 PolarHBondContact OE2-NH2 2.75Å; I293-R324 WeakPolarHBondContact O-CD 3.47Å; F298-R324 HydrophobicContact CE2-CB 3.63Å; F298-R324 HydrophobicContact CZ-CB 3.82Å; F320-R324 WeakPolarHBondContact O-CD 3.27Å; F320-R324 VanDerWaalsContact O-CG 3.29Å; F320-R324 WeakPolarHBondContact O-CG 3.47Å; F320-R324 PolarHBondContact O-N 3.27Å; A321-R324 PolarHBondContact O-N 3.26Å; R324-I326 PolarHBondContact O-N 3.24Å; R324-L328 WeakPolarHBondContact O-CD1 3.49Å
325	A	82.5	Confident	83.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.7	176.9	0	0	0	0	0	113.7	F298 A321 E323 G327 L328 F334	F298-A325 HydrophobicContact CE1-CB 3.77Å; F298-A325 HydrophobicContact CZ-CB 4Å; A321-A325 WeakPolarHBondContact O-CB 3.42Å; A321-A325 PolarHBondContact O-N 3.12Å; E323-A325 VanDerWaalsContact C-N 3.32Å; E323-A325 PolarHBondContact O-N 3.46Å; A325-G327 PolarHBondContact O-N 3.07Å; A325-L328 WeakPolarHBondContact O-CB 3.47Å; A325-L328 PolarHBondContact O-N 3.11Å; A325-F334 HydrophobicContact CB-CD2 4.42Å; A325-F334 HydrophobicContact CB-CE2 4.08Å
326	I	71.7	Confident	84	Confident	53 Å²	53	34.3 Å²	34.3	27%	0.272	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	129.5	179.3	-55.7	159.8	0	0	0	110.3	F161 E323 R324 L328	F161-I326 HydrophobicContact CD1-CD1 3.35Å; F161-I326 HydrophobicContact CD1-CG1 4.24Å; F161-I326 HydrophobicContact CD2-CD1 3.66Å; F161-I326 HydrophobicContact CD2-CG1 3.59Å; F161-I326 HydrophobicContact CD2-CG2 4.41Å; F161-I326 HydrophobicContact CE1-CD1 3.08Å; F161-I326 HydrophobicContact CE1-CG1 3.99Å; F161-I326 HydrophobicContact CE2-CD1 3.42Å; F161-I326 VanDerWaalsContact CE2-CD1 3.42Å; F161-I326 HydrophobicContact CE2-CG1 3.28Å; F161-I326 HydrophobicContact CG-CD1 3.62Å; F161-I326 HydrophobicContact CG-CG1 4.04Å; F161-I326 HydrophobicContact CZ-CD1 3.08Å; F161-I326 HydrophobicContact CZ-CG1 3.47Å; F161-I326 VanDerWaalsContact CZ-CG1 3.47Å; E323-I326 HydrophobicContact CG-CD1 4.21Å; E323-I326 WeakPolarHBondContact O-CD1 3.44Å; E323-I326 WeakPolarHBondContact O-CG1 3.45Å; E323-I326 PolarHBondContact O-N 2.78Å; R324-I326 PolarHBondContact O-N 3.24Å; I326-L328 PolarHBondContact O-N 3.24Å; I326-L328 VanDerWaalsContact O-N 3.13Å
327	G	70.9	Confident	84.2	Confident	57 Å²	57	33.1 Å²	33.1	59%	0.588	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	-6.8	176	0	0	0	0	0	114.2	A325	A325-G327 PolarHBondContact O-N 3.07Å
328	L	76.8	Confident	84.1	Confident	45 Å²	45	35.3 Å²	35.3	24%	0.236	19%	0.189	C	C	.	.			trans	-68.9	140.1	170.9	-58.5	-171.6	0	0	0	109.9	F298 R324 A325 I326	F298-L328 HydrophobicContact CB-CD1 4.45Å; F298-L328 HydrophobicContact CD1-CD1 3.39Å; F298-L328 HydrophobicContact CD2-CD1 4.3Å; F298-L328 HydrophobicContact CE1-CD1 3.59Å; F298-L328 HydrophobicContact CE2-CD1 4.48Å; F298-L328 HydrophobicContact CG-CD1 3.8Å; F298-L328 HydrophobicContact CZ-CD1 4.16Å; R324-L328 WeakPolarHBondContact O-CD1 3.49Å; A325-L328 WeakPolarHBondContact O-CB 3.47Å; A325-L328 PolarHBondContact O-N 3.11Å; I326-L328 PolarHBondContact O-N 3.24Å; I326-L328 VanDerWaalsContact O-N 3.13Å
329	K	77.9	Confident	84.4	Confident	198 Å²	198	35.7 Å²	35.7	86%	0.861	19%	0.192	S	C	*	.			trans	-95.8	-7.2	177.6	-65	-178.4	-177.9	174.9	0	112.6
330	C	82.1	Confident	85	Confident	16 Å²	16	38.2 Å²	38.2	11%	0.108	21%	0.206	C	C	.	.	S	Bend	trans	-71.8	154.9	179.2	65.7	0	0	0	0	111.1	A301 E302 V332	A301-C330 HydrophobicContact CB-CB 3.66Å; E302-C330 HydrophobicContact CG-CB 3.71Å; C330-V332 PolarHBondContact O-N 3.23Å; C330-V332 VanDerWaalsContact O-N 3.16Å
331	S	87.6	Confident	85.1	Confident	50 Å²	50	41.5 Å²	41.5	35%	0.35	23%	0.23	S	C	.	.			trans	-89.3	78	-171.8	-166.2	0	0	0	0	111.5	H307 V308	H307-S331 CarbonylContact C-O 3.59Å; H307-S331 VanDerWaalsContact CA-O 3.24Å; H307-S331 WeakPolarHBondContact CA-O 3.45Å; H307-S331 PolarHBondContact ND1-O 2.72Å; H307-S331 PolarHBondContact ND1-OG 2.79Å; V308-S331 PolarHBondContact N-O 3.04Å
332	V	89.6	Confident	85.1	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	178.9	-174.9	0	0	0	0	110.5	Q219 D297 F298 A301 V308 C330 F334	Q219-V332 PolarHBondContact NE2-O 2.9Å; D297-V332 HydrophobicContact CB-CG1 3.82Å; D297-V332 HydrophobicContact CB-CG2 4.37Å; F298-V332 HydrophobicContact CD1-CG2 4.19Å; F298-V332 HydrophobicContact CE1-CG1 4.49Å; A301-V332 HydrophobicContact CB-CG2 3.5Å; V308-V332 HydrophobicContact CB-CG1 4.43Å; V308-V332 HydrophobicContact CB-CG2 4.29Å; V308-V332 CarbonylContact O-C 3.56Å; V308-V332 WeakPolarHBondContact O-CA 3.46Å; C330-V332 PolarHBondContact O-N 3.23Å; C330-V332 VanDerWaalsContact O-N 3.16Å; V332-F334 HydrophobicContact CG1-CD1 4.41Å; V332-F334 HydrophobicContact CG1-CD2 4.16Å; V332-F334 HydrophobicContact CG1-CE1 3.84Å; V332-F334 HydrophobicContact CG1-CE2 3.56Å; V332-F334 HydrophobicContact CG1-CZ 3.37Å
333	E	87.5	Confident	85.5	Confident	31 Å²	31	49.2 Å²	49.2	15%	0.145	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	165.7	63.8	176	169.6	0	0	110	K207 K285 H307 V308 V309 G310	K207-E333 IonicContact NZ-OE2 2.91Å; K207-E333 PolarHBondContact NZ-OE2 2.82Å; K285-E333 IonicContact NZ-OE1 3.69Å; H307-E333 IonicContact NE2-OE1 3.01Å; V308-E333 PolarHBondContact O-N 2.91Å; V309-E333 HydrophobicContact CB-CG 4.15Å; V309-E333 HydrophobicContact CG1-CG 4.03Å; V309-E333 HydrophobicContact CG2-CG 3.9Å; V309-E333 WeakPolarHBondContact CG2-OE1 3.31Å; G310-E333 PolarHBondContact N-O 3.47Å
334	F	87.9	Confident	86.2	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.1	178.5	-66.4	-65.2	0	0	0	111.3	K207 C291 D297 F298 G310 I318 A321 L322 A325 V332	K207-F334 WeakPolarHBondContact CA-O 3.34Å; K207-F334 WeakPolarHBondContact CB-O 3.43Å; C291-F334 HydrophobicContact CB-CD1 4.39Å; C291-F334 HydrophobicContact CB-CE1 4.15Å; D297-F334 HydrophobicContact CB-CE1 4Å; D297-F334 HydrophobicContact CB-CZ 3.95Å; F298-F334 AromaticContact CE1-CE2 3.57Å; F298-F334 HydrophobicContact CE1-CE2 3.57Å; F298-F334 AromaticContact CE1-CZ 3.74Å; F298-F334 HydrophobicContact CE1-CZ 3.74Å; F298-F334 AromaticContact CZ-CE2 3.69Å; F298-F334 HydrophobicContact CZ-CE2 3.69Å; F298-F334 AromaticContact CZ-CZ 3.85Å; F298-F334 HydrophobicContact CZ-CZ 3.85Å; G310-F334 CarbonylContact O-C 3.59Å; G310-F334 VanDerWaalsContact O-CA 3.31Å; G310-F334 WeakPolarHBondContact O-CA 3.48Å; I318-F334 HydrophobicContact CD1-CB 4.15Å; I318-F334 HydrophobicContact CD1-CD1 4.48Å; I318-F334 HydrophobicContact CG2-CB 4.19Å; A321-F334 HydrophobicContact CB-CD1 3.87Å; A321-F334 HydrophobicContact CB-CD2 3.7Å; A321-F334 HydrophobicContact CB-CE1 3.89Å; A321-F334 HydrophobicContact CB-CE2 3.7Å; A321-F334 HydrophobicContact CB-CG 3.78Å; A321-F334 HydrophobicContact CB-CZ 3.8Å; L322-F334 HydrophobicContact CD2-CB 3.98Å; L322-F334 HydrophobicContact CD2-CD2 4.44Å; L322-F334 HydrophobicContact CG-CB 4.26Å; A325-F334 HydrophobicContact CB-CD2 4.42Å; A325-F334 HydrophobicContact CB-CE2 4.08Å; V332-F334 HydrophobicContact CG1-CD1 4.41Å; V332-F334 HydrophobicContact CG1-CD2 4.16Å; V332-F334 HydrophobicContact CG1-CE1 3.84Å; V332-F334 HydrophobicContact CG1-CE2 3.56Å; V332-F334 HydrophobicContact CG1-CZ 3.37Å
335	E	88.4	Confident	86.6	Confident	25 Å²	25	48.5 Å²	48.5	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.7	177.6	-172.3	-178.3	172.4	0	0	111.9	C206 K207 G310 I311 D312 I318 A337 K342	C206-E335 WeakPolarHBondContact O-CA 3.5Å; K207-E335 HydrophobicContact CB-CB 4.49Å; G310-E335 PolarHBondContact O-N 2.91Å; I311-E335 WeakPolarHBondContact CA-O 3.44Å; I311-E335 HydrophobicContact CG2-CB 4.24Å; D312-E335 PolarHBondContact N-O 2.94Å; I318-E335 WeakPolarHBondContact CD1-O 3.47Å; E335-A337 HydrophobicContact CG-CB 4.28Å; E335-A337 PolarHBondContact O-N 2.87Å; E335-K342 IonicContact OE1-NZ 3.85Å; E335-K342 PolarHBondContact OE1-NZ 2.87Å; E335-K342 WeakPolarHBondContact OE2-CE 3.33Å; E335-K342 IonicContact OE2-NZ 3.18Å; E335-K342 PolarHBondContact OE2-NZ 2.84Å
336	V	87.2	Confident	87.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.5	164.2	178.7	0	0	0	0	108.8	M203 C206 D312 V315 I318	M203-V336 HydrophobicContact SD-CB 4.15Å; M203-V336 HydrophobicContact SD-CG1 4.42Å; M203-V336 HydrophobicContact SD-CG2 3.76Å; C206-V336 HydrophobicContact CB-CG2 4.16Å; D312-V336 CarbonylContact O-C 3.59Å; D312-V336 VanDerWaalsContact O-CA 3.25Å; D312-V336 WeakPolarHBondContact O-CA 3.31Å; V315-V336 HydrophobicContact CG2-CG1 4.11Å; V315-V336 HydrophobicContact CG2-CG2 4.41Å; I318-V336 HydrophobicContact CB-CG2 3.6Å; I318-V336 HydrophobicContact CG1-CB 4.44Å; I318-V336 HydrophobicContact CG1-CG2 3.68Å; I318-V336 HydrophobicContact CG2-CG2 3.79Å
337	A	88.2	Confident	88.6	Confident	10 Å²	10	53.8 Å²	53.8	8%	0.083	31%	0.307	C	S	.	.			trans	-153.5	143.3	-179.5	0	0	0	0	0	112.8	I311 D312 E335 K342	I311-A337 HydrophobicContact CB-CB 4.25Å; I311-A337 HydrophobicContact CG2-CB 4.28Å; D312-A337 CarbonylContact C-O 3.57Å; D312-A337 PolarHBondContact O-N 2.78Å; E335-A337 HydrophobicContact CG-CB 4.28Å; E335-A337 PolarHBondContact O-N 2.87Å; A337-K342 HydrophobicContact CB-CB 4.44Å; A337-K342 HydrophobicContact CB-CD 4.2Å; A337-K342 HydrophobicContact CB-CG 4.39Å
338	D	89.9	Confident	89.9	Confident	49 Å²	49	52.4 Å²	52.4	26%	0.262	29%	0.289	S	S	.	.			trans	-81.8	115.6	168.2	-177	-17.6	0	0	0	109.5	L313 T340 T341 K342	L313-D338 HydrophobicContact CD1-CB 3.9Å; D338-T340 PolarHBondContact O-N 2.78Å; D338-T340 VanDerWaalsContact O-N 3.12Å; D338-T340 WeakPolarHBondContact OD1-CB 3.37Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.36Å; D338-T340 PolarHBondContact OD1-N 2.67Å; D338-T340 PolarHBondContact OD1-OG1 2.7Å; D338-T340 PolarHBondContact OD2-OG1 2.69Å; D338-T341 PolarHBondContact O-N 2.79Å; D338-T341 VanDerWaalsContact O-N 3.14Å; D338-T341 PolarHBondContact O-OG1 3.08Å; D338-K342 VanDerWaalsContact O-CB 3.28Å; D338-K342 WeakPolarHBondContact O-CB 3.35Å; D338-K342 PolarHBondContact O-N 3Å
339	C	94.7	Very high	90.9	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.068	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.9	-179	67.4	0	0	0	0	113.9	V289 I311 L367	V289-C339 HydrophobicContact CG1-CB 3.55Å; I311-C339 HydrophobicContact CD1-CB 3.86Å; C339-L367 HydrophobicContact CB-CD1 4.2Å; C339-L367 WeakPolarHBondContact O-CD1 3.32Å
340	T	93.4	Very high	91.9	Very high	72 Å²	72	42.3 Å²	42.3	44%	0.442	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.8	179.2	71.8	0	0	0	0	113.1	D338 I361	D338-T340 PolarHBondContact O-N 2.78Å; D338-T340 VanDerWaalsContact O-N 3.12Å; D338-T340 WeakPolarHBondContact OD1-CB 3.37Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.36Å; D338-T340 PolarHBondContact OD1-N 2.67Å; D338-T340 PolarHBondContact OD1-OG1 2.7Å; D338-T340 PolarHBondContact OD2-OG1 2.69Å; T340-I361 HydrophobicContact CG2-CD1 3.93Å; T340-I361 HydrophobicContact CG2-CG2 3.75Å
341	T	89.8	Confident	92.7	Very high	101 Å²	101	41.7 Å²	41.7	62%	0.62	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-21.4	-177.9	63.7	0	0	0	0	113.8	D338	D338-T341 PolarHBondContact O-N 2.79Å; D338-T341 VanDerWaalsContact O-N 3.14Å; D338-T341 PolarHBondContact O-OG1 3.08Å
342	K	90.2	Very high	93.3	Very high	53 Å²	53	39.3 Å²	39.3	23%	0.23	22%	0.223	C	C	.	.			trans	-56.2	145.7	174.2	-176.5	62.3	171.1	-172	0	109.9	E335 A337 D338 Y344 W374	E335-K342 IonicContact OE1-NZ 3.85Å; E335-K342 PolarHBondContact OE1-NZ 2.87Å; E335-K342 WeakPolarHBondContact OE2-CE 3.33Å; E335-K342 IonicContact OE2-NZ 3.18Å; E335-K342 PolarHBondContact OE2-NZ 2.84Å; A337-K342 HydrophobicContact CB-CB 4.44Å; A337-K342 HydrophobicContact CB-CD 4.2Å; A337-K342 HydrophobicContact CB-CG 4.39Å; D338-K342 VanDerWaalsContact O-CB 3.28Å; D338-K342 WeakPolarHBondContact O-CB 3.35Å; D338-K342 PolarHBondContact O-N 3Å; K342-Y344 HydrophobicContact CD-CE2 4.48Å; K342-Y344 WeakPolarHBondContact CE-OH 3.37Å; K342-Y344 HydrophobicContact CG-CD2 4.16Å; K342-Y344 HydrophobicContact CG-CE2 3.56Å; K342-W374 HydrophobicContact CB-CH2 4.47Å; K342-W374 WeakPolarHBondContact O-CH2 3.48Å; K342-W374 WeakPolarHBondContact O-CZ2 3.36Å
343	T	91.2	Very high	93.7	Very high	112 Å²	112	39.3 Å²	39.3	69%	0.687	22%	0.223	S	C	*	.			trans	-123.4	131.9	174.1	60	0	0	0	0	110.7
344	Y	94.7	Very high	94.2	Very high	37 Å²	37	37.8 Å²	37.8	15%	0.145	22%	0.216	C	C	.	.			trans	-116.6	155.8	164.4	-66.1	-76.3	0	0	0	110.1	L287 I311 K342 F349 W374	L287-Y344 HydrophobicContact CD1-CE2 3.99Å; L287-Y344 HydrophobicContact CD2-CE2 4.34Å; I311-Y344 VanDerWaalsContact CG2-OH 3.26Å; I311-Y344 WeakPolarHBondContact CG2-OH 3.14Å; K342-Y344 HydrophobicContact CD-CE2 4.48Å; K342-Y344 WeakPolarHBondContact CE-OH 3.37Å; K342-Y344 HydrophobicContact CG-CD2 4.16Å; K342-Y344 HydrophobicContact CG-CE2 3.56Å; Y344-F349 HydrophobicContact CD1-CE2 4.16Å; Y344-F349 AromaticContact CD1-CZ 3.78Å; Y344-F349 HydrophobicContact CD1-CZ 3.78Å; Y344-F349 AromaticContact CD2-CE2 3.82Å; Y344-F349 HydrophobicContact CD2-CE2 3.82Å; Y344-F349 HydrophobicContact CD2-CZ 4.01Å; Y344-F349 AromaticContact CE1-CZ 3.99Å; Y344-F349 HydrophobicContact CE1-CZ 3.99Å; Y344-F349 HydrophobicContact CE2-CE2 4.38Å; Y344-F349 HydrophobicContact CE2-CZ 4.21Å; Y344-F349 AromaticContact CG-CE2 3.69Å; Y344-F349 HydrophobicContact CG-CE2 3.69Å; Y344-F349 AromaticContact CG-CZ 3.79Å; Y344-F349 HydrophobicContact CG-CZ 3.79Å; Y344-W374 AromaticContact CD2-CD2 3.87Å; Y344-W374 HydrophobicContact CD2-CD2 3.87Å; Y344-W374 AromaticContact CD2-CE2 3.91Å; Y344-W374 AromaticContact CD2-CE3 3.79Å; Y344-W374 HydrophobicContact CD2-CE3 3.79Å; Y344-W374 AromaticContact CD2-CH2 3.87Å; Y344-W374 HydrophobicContact CD2-CH2 3.87Å; Y344-W374 AromaticContact CD2-CZ2 3.94Å; Y344-W374 HydrophobicContact CD2-CZ2 3.94Å; Y344-W374 AromaticContact CD2-CZ3 3.78Å; Y344-W374 HydrophobicContact CD2-CZ3 3.78Å; Y344-W374 HydrophobicContact CE2-CE3 4.49Å; Y344-W374 HydrophobicContact CE2-CH2 4.32Å; Y344-W374 HydrophobicContact CE2-CZ3 4.17Å; Y344-W374 HydrophobicContact CG-CD2 4.48Å; Y344-W374 PolarHBondContact O-NE1 3.18Å
345	P	96.4	Very high	94.8	Very high	94 Å²	94	38.4 Å²	38.4	61%	0.61	22%	0.219	S	C	*	.			trans	-55.9	148.6	168.2	-22.9	33.5	0	0	0	111.5	S348	P345-S348 WeakPolarHBondContact O-CB 3.37Å; P345-S348 PolarHBondContact O-OG 2.75Å
346	D	98	Very high	95.2	Very high	88 Å²	88	37.9 Å²	37.9	47%	0.471	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	144.8	173.3	-65.8	-0.8	0	0	0	110.1	S348 K373	D346-S348 PolarHBondContact O-N 3.07Å; D346-K373 VanDerWaalsContact CA-O 3.31Å; D346-K373 WeakPolarHBondContact CA-O 3.3Å; D346-K373 WeakPolarHBondContact OD1-CE 3.33Å; D346-K373 IonicContact OD1-NZ 2.76Å
347	N	98.4	Very high	95.8	Very high	75 Å²	75	38.9 Å²	38.9	40%	0.401	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	40.1	179.6	-41.9	-59.3	0	0	0	114.3	K373 W374 L375 K376 P377 K490	N347-K373 PolarHBondContact N-O 3.02Å; N347-W374 CarbonylContact C-O 3.58Å; N347-W374 WeakPolarHBondContact CA-O 3.45Å; N347-W374 PolarHBondContact N-O 2.87Å; N347-L375 PolarHBondContact OD1-O 3.21Å; N347-K376 HydrophobicContact CB-CG 4.06Å; N347-K376 WeakPolarHBondContact O-CG 3.48Å; N347-P377 WeakPolarHBondContact OD1-CD 3.3Å; N347-K490 PolarHBondContact OD1-NZ 3.39Å
348	S	98.1	Very high	96.3	Very high	28 Å²	28	38.4 Å²	38.4	20%	0.196	22%	0.219	C	C	.	.			trans	-81.3	-34.1	179.1	-72.2	0	0	0	0	114	P345 D346 W374	P345-S348 WeakPolarHBondContact O-CB 3.37Å; P345-S348 PolarHBondContact O-OG 2.75Å; D346-S348 PolarHBondContact O-N 3.07Å; S348-W374 PolarHBondContact N-O 2.71Å
349	F	98.7	Very high	96.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.7	-167.4	-53.2	-77.3	0	0	0	112.7	K285 L287 V309 Y344 I352 W374 L375 K376	K285-F349 HydrophobicContact CD-CD1 4.21Å; K285-F349 HydrophobicContact CD-CE1 4.26Å; K285-F349 HydrophobicContact CG-CD1 3.96Å; K285-F349 HydrophobicContact CG-CE1 4.33Å; L287-F349 HydrophobicContact CB-CB 4.47Å; L287-F349 HydrophobicContact CB-CD1 3.67Å; L287-F349 HydrophobicContact CB-CD2 3.94Å; L287-F349 HydrophobicContact CB-CE1 3.77Å; L287-F349 HydrophobicContact CB-CE2 4.05Å; L287-F349 HydrophobicContact CB-CG 3.76Å; L287-F349 HydrophobicContact CB-CZ 3.96Å; L287-F349 HydrophobicContact CD1-CE1 4.31Å; L287-F349 HydrophobicContact CD1-CE2 4.44Å; L287-F349 HydrophobicContact CD1-CZ 4Å; L287-F349 HydrophobicContact CD2-CD2 4.14Å; L287-F349 HydrophobicContact CD2-CE2 3.84Å; L287-F349 HydrophobicContact CD2-CZ 4.24Å; L287-F349 HydrophobicContact CG-CE2 4.34Å; L287-F349 HydrophobicContact CG-CZ 4.29Å; V309-F349 HydrophobicContact CB-CE1 4.13Å; V309-F349 HydrophobicContact CG2-CE1 3.98Å; Y344-F349 HydrophobicContact CD1-CE2 4.16Å; Y344-F349 AromaticContact CD1-CZ 3.78Å; Y344-F349 HydrophobicContact CD1-CZ 3.78Å; Y344-F349 AromaticContact CD2-CE2 3.82Å; Y344-F349 HydrophobicContact CD2-CE2 3.82Å; Y344-F349 HydrophobicContact CD2-CZ 4.01Å; Y344-F349 AromaticContact CE1-CZ 3.99Å; Y344-F349 HydrophobicContact CE1-CZ 3.99Å; Y344-F349 HydrophobicContact CE2-CE2 4.38Å; Y344-F349 HydrophobicContact CE2-CZ 4.21Å; Y344-F349 AromaticContact CG-CE2 3.69Å; Y344-F349 HydrophobicContact CG-CE2 3.69Å; Y344-F349 AromaticContact CG-CZ 3.79Å; Y344-F349 HydrophobicContact CG-CZ 3.79Å; F349-I352 HydrophobicContact CB-CG1 4.34Å; F349-W374 HydrophobicContact CD2-CB 4Å; F349-W374 HydrophobicContact CE2-CB 4.27Å; F349-W374 PolarHBondContact N-O 3.33Å; F349-W374 VanDerWaalsContact N-O 3.11Å; F349-L375 CarbonylContact O-C 3.57Å; F349-K376 WeakPolarHBondContact O-CB 3.5Å; F349-K376 WeakPolarHBondContact O-CG 3.36Å; F349-K376 PolarHBondContact O-N 3.45Å
350	D	98.8	Very high	96.7	Very high	29 Å²	29	36.4 Å²	36.4	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-33.2	172.4	-57.8	-81.9	0	0	0	110.8	Q284 K285 K376 G379 K380	Q284-D350 HydrophobicContact CB-CB 3.91Å; Q284-D350 HydrophobicContact CG-CB 3.93Å; K285-D350 PolarHBondContact N-OD2 3.2Å; K285-D350 PolarHBondContact O-N 3.37Å; D350-K376 VanDerWaalsContact OD1-CD 3.26Å; D350-K376 WeakPolarHBondContact OD1-CD 3.26Å; D350-K376 IonicContact OD1-NZ 2.89Å; D350-K376 PolarHBondContact OD1-NZ 2.99Å; D350-K376 IonicContact OD2-NZ 3.32Å; D350-K376 PolarHBondContact OD2-NZ 3.31Å; D350-G379 CarbonylContact O-C 3.58Å; D350-G379 WeakPolarHBondContact O-CA 3.4Å; D350-K380 PolarHBondContact O-N 2.93Å
351	V	98.8	Very high	96.9	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.5	174.6	178.8	0	0	0	0	110.7	M278 L280 K285 V286 L287 K380	M278-V351 HydrophobicContact CB-CG2 4.48Å; M278-V351 HydrophobicContact CG-CG1 4.2Å; M278-V351 HydrophobicContact SD-CG1 3.9Å; L280-V351 HydrophobicContact CD2-CB 4.33Å; L280-V351 HydrophobicContact CD2-CG2 3.72Å; K285-V351 PolarHBondContact O-N 3.48Å; V286-V351 WeakPolarHBondContact CA-O 3.44Å; V286-V351 HydrophobicContact CG1-CB 4.22Å; V286-V351 HydrophobicContact CG1-CG1 4.26Å; V286-V351 HydrophobicContact CG2-CB 4.24Å; L287-V351 PolarHBondContact N-O 3.04Å; V351-K380 CarbonylContact C-O 3.49Å; V351-K380 VanDerWaalsContact CA-O 3.23Å; V351-K380 WeakPolarHBondContact CA-O 3.15Å; V351-K380 HydrophobicContact CG2-CB 4.48Å
352	I	98.9	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.5	162.8	-64.7	171.1	0	0	0	107.9	L287 V289 F349 F371 W374 L375 K380 V381 L382	L287-I352 HydrophobicContact CB-CG1 4.22Å; L287-I352 HydrophobicContact CD2-CG1 4.26Å; L287-I352 HydrophobicContact CD2-CG2 4.43Å; L287-I352 WeakPolarHBondContact O-CA 3.24Å; V289-I352 HydrophobicContact CG2-CG2 4.3Å; F349-I352 HydrophobicContact CB-CG1 4.34Å; I352-F371 HydrophobicContact CD1-CB 3.77Å; I352-F371 HydrophobicContact CD1-CD1 4.21Å; I352-F371 HydrophobicContact CD1-CG 4.04Å; I352-F371 WeakPolarHBondContact CD1-O 3.37Å; I352-F371 HydrophobicContact CG2-CD1 4.24Å; I352-F371 HydrophobicContact CG2-CD2 3.95Å; I352-F371 HydrophobicContact CG2-CE1 4.26Å; I352-F371 HydrophobicContact CG2-CE2 3.97Å; I352-F371 HydrophobicContact CG2-CG 4.09Å; I352-F371 HydrophobicContact CG2-CZ 4.13Å; I352-W374 HydrophobicContact CD1-CB 4.15Å; I352-L375 HydrophobicContact CB-CD1 4.41Å; I352-L375 HydrophobicContact CD1-CB 4.12Å; I352-L375 HydrophobicContact CD1-CD1 4.18Å; I352-L375 HydrophobicContact CG1-CD1 3.88Å; I352-K380 PolarHBondContact N-O 3.22Å; I352-V381 HydrophobicContact CB-CG2 4.29Å; I352-V381 HydrophobicContact CG2-CG2 4.34Å; I352-V381 CarbonylContact O-C 3.55Å; I352-V381 VanDerWaalsContact O-CA 3.3Å; I352-V381 WeakPolarHBondContact O-CA 3.11Å; I352-L382 PolarHBondContact O-N 3.2Å
353	Y	98.9	Very high	97.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.9	-176.2	175.9	-124.1	0	0	0	109.9	M278 L287 D288 V289 M300 R355 L382	M278-Y353 HydrophobicContact CE-CD1 4.5Å; M278-Y353 HydrophobicContact CE-CD2 3.02Å; M278-Y353 HydrophobicContact CE-CE2 3.36Å; M278-Y353 HydrophobicContact CE-CG 3.63Å; L287-Y353 PolarHBondContact O-N 3.42Å; D288-Y353 WeakPolarHBondContact CA-O 3.47Å; D288-Y353 HydrophobicContact CB-CD1 4.18Å; D288-Y353 VanDerWaalsContact CG-CD1 3.45Å; D288-Y353 VanDerWaalsContact OD2-CD1 3.23Å; D288-Y353 WeakPolarHBondContact OD2-CD1 3.05Å; D288-Y353 WeakPolarHBondContact OD2-CE1 3.03Å; V289-Y353 PolarHBondContact N-O 3.43Å; M300-Y353 HydrophobicContact CE-CD1 3.64Å; M300-Y353 HydrophobicContact CE-CE1 3.93Å; M300-Y353 HydrophobicContact CE-CG 4.5Å; M300-Y353 HydrophobicContact SD-CD1 4.19Å; M300-Y353 HydrophobicContact SD-CE1 4.44Å; Y353-R355 HydrophobicContact CD1-CG 4.49Å; Y353-R355 HydrophobicContact CD2-CG 4.33Å; Y353-R355 HydrophobicContact CE1-CG 3.64Å; Y353-R355 HydrophobicContact CE2-CG 3.49Å; Y353-R355 VanDerWaalsContact CE2-CG 3.49Å; Y353-R355 VanDerWaalsContact CZ-CD 3.46Å; Y353-R355 VanDerWaalsContact OH-CD 3.26Å; Y353-R355 WeakPolarHBondContact OH-CD 3.29Å; Y353-R355 WeakPolarHBondContact OH-CG 3.39Å; Y353-R355 PolarHBondContact OH-NH1 2.93Å; Y353-L382 CarbonylContact C-O 3.46Å; Y353-L382 WeakPolarHBondContact CA-O 3.18Å; Y353-L382 HydrophobicContact CD2-CD2 3.74Å; Y353-L382 HydrophobicContact CE2-CD2 3.74Å
354	S	98.8	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	139.1	172.5	-170.5	0	0	0	0	110.6	V289 T357 L382 I383 T384	V289-S354 WeakPolarHBondContact O-CB 3.45Å; V289-S354 PolarHBondContact O-OG 3.09Å; S354-T357 WeakPolarHBondContact OG-CB 3.43Å; S354-L382 PolarHBondContact N-O 3.06Å; S354-I383 WeakPolarHBondContact O-CA 3.48Å; S354-T384 PolarHBondContact O-N 3.45Å
355	R	98.7	Very high	98.1	Very high	14 Å²	14	31.5 Å²	31.5	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	105.7	-175.1	-68.4	-63.1	-57.8	-71.9	-5.8	112.2	T265 T270 T271 Y353 T357 T384	T265-R355 PolarHBondContact O-NH2 2.92Å; T270-R355 PolarHBondContact OG1-NH2 3.3Å; T271-R355 PolarHBondContact OG1-NH1 3.19Å; Y353-R355 HydrophobicContact CD1-CG 4.49Å; Y353-R355 HydrophobicContact CD2-CG 4.33Å; Y353-R355 HydrophobicContact CE1-CG 3.64Å; Y353-R355 HydrophobicContact CE2-CG 3.49Å; Y353-R355 VanDerWaalsContact CE2-CG 3.49Å; Y353-R355 VanDerWaalsContact CZ-CD 3.46Å; Y353-R355 VanDerWaalsContact OH-CD 3.26Å; Y353-R355 WeakPolarHBondContact OH-CD 3.29Å; Y353-R355 WeakPolarHBondContact OH-CG 3.39Å; Y353-R355 PolarHBondContact OH-NH1 2.93Å; R355-T357 PolarHBondContact O-N 3.42Å; R355-T357 PolarHBondContact O-OG1 2.95Å; R355-T384 VanDerWaalsContact CD-OG1 3.29Å; R355-T384 WeakPolarHBondContact CD-OG1 3.47Å; R355-T384 PolarHBondContact NE-OG1 2.94Å
356	D	98.4	Very high	98.2	Very high	14 Å²	14	28.3 Å²	28.3	8%	0.075	16%	0.155	C	C	.	.	S	Bend	trans	53.3	39.6	175.5	-54.5	-9.2	0	0	0	111.4	T265 L359 T384 Y386 W483	T265-D356 VanDerWaalsContact CB-OD2 3.29Å; T265-D356 WeakPolarHBondContact CB-OD2 3.22Å; T265-D356 PolarHBondContact N-OD2 3.26Å; T265-D356 PolarHBondContact OG1-OD2 3.27Å; D356-L359 WeakPolarHBondContact O-CD2 3.15Å; D356-T384 PolarHBondContact N-O 3.27Å; D356-T384 WeakPolarHBondContact OD1-CB 3.22Å; D356-T384 PolarHBondContact OD1-OG1 2.9Å; D356-Y386 HydrophobicContact CB-CE1 4.43Å; D356-W483 PolarHBondContact OD1-NE1 3.13Å
357	T	98.4	Very high	98.2	Very high	23 Å²	23	24.3 Å²	24.3	14%	0.141	13%	0.134	C	C	.	.			trans	-111.7	-37.1	-177.6	-52.3	0	0	0	0	112.5	V289 S354 R355 L359 H360	V289-T357 WeakPolarHBondContact O-CB 3.5Å; V289-T357 PolarHBondContact O-OG1 3.15Å; V289-T357 VanDerWaalsContact O-OG1 3.07Å; S354-T357 WeakPolarHBondContact OG-CB 3.43Å; R355-T357 PolarHBondContact O-N 3.42Å; R355-T357 PolarHBondContact O-OG1 2.95Å; T357-L359 WeakPolarHBondContact O-CD2 3.17Å; T357-L359 PolarHBondContact O-N 3Å; T357-H360 WeakPolarHBondContact O-CB 3.35Å; T357-H360 PolarHBondContact O-CD2 2.78Å; T357-H360 PolarHBondContact O-N 2.61Å; T357-H360 VanDerWaalsContact O-N 3.12Å
358	I	98.5	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-77.1	-11.7	-165.4	-66.2	160.6	0	0	0	112.3	H360 I361 K364 L367 F368 F371 I383 D385 Y414	I358-H360 PolarHBondContact O-N 3.47Å; I358-H360 VanDerWaalsContact O-N 3.11Å; I358-I361 HydrophobicContact CG2-CB 4.34Å; I358-I361 HydrophobicContact CG2-CG1 4.49Å; I358-I361 WeakPolarHBondContact O-CB 3.45Å; I358-I361 PolarHBondContact O-N 3.15Å; I358-K364 HydrophobicContact CG2-CD 3.97Å; I358-K364 HydrophobicContact CG2-CG 3.77Å; I358-K364 VanDerWaalsContact O-CE 3.31Å; I358-K364 WeakPolarHBondContact O-CE 3.19Å; I358-K364 PolarHBondContact O-NZ 2.7Å; I358-K364 VanDerWaalsContact O-NZ 3.08Å; I358-L367 HydrophobicContact CD1-CD2 4.46Å; I358-L367 HydrophobicContact CG1-CD2 4.13Å; I358-L367 HydrophobicContact CG2-CD2 4.34Å; I358-F368 HydrophobicContact CD1-CE1 4.25Å; I358-F368 HydrophobicContact CG2-CE1 4.21Å; I358-F368 HydrophobicContact CG2-CZ 4.28Å; I358-F371 HydrophobicContact CD1-CE2 4.11Å; I358-F371 HydrophobicContact CD1-CZ 4.49Å; I358-I383 HydrophobicContact CD1-CB 4.47Å; I358-I383 HydrophobicContact CD1-CD1 3.73Å; I358-I383 HydrophobicContact CD1-CG1 3.87Å; I358-I383 HydrophobicContact CD1-CG2 3.74Å; I358-D385 WeakPolarHBondContact CA-OD2 3.29Å; I358-D385 WeakPolarHBondContact CB-OD2 3.27Å; I358-Y414 WeakPolarHBondContact CB-OH 3.47Å; I358-Y414 WeakPolarHBondContact CG2-OH 3.23Å
359	L	98.1	Very high	98.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-55.7	-23.7	165.8	76.6	-177.2	0	0	0	113.1	D356 T357 D385 Y386 Y406 D407 L408	D356-L359 WeakPolarHBondContact O-CD2 3.15Å; T357-L359 WeakPolarHBondContact O-CD2 3.17Å; T357-L359 PolarHBondContact O-N 3Å; L359-D385 WeakPolarHBondContact CB-OD1 3.38Å; L359-D385 VanDerWaalsContact N-CG 3.28Å; L359-D385 PolarHBondContact N-OD1 2.8Å; L359-D385 PolarHBondContact N-OD2 3.48Å; L359-Y386 HydrophobicContact CD1-CD2 3.65Å; L359-Y386 HydrophobicContact CD1-CE2 4.46Å; L359-Y386 HydrophobicContact CD1-CG 3.7Å; L359-Y406 HydrophobicContact CB-CD1 4.36Å; L359-Y406 HydrophobicContact CB-CG 4.37Å; L359-Y406 HydrophobicContact CD1-CD1 3.93Å; L359-Y406 HydrophobicContact CD1-CD2 3.91Å; L359-Y406 HydrophobicContact CD1-CE1 3.67Å; L359-Y406 HydrophobicContact CD1-CE2 3.62Å; L359-Y406 HydrophobicContact CD1-CG 4.06Å; L359-Y406 HydrophobicContact CG-CD1 3.71Å; L359-Y406 HydrophobicContact CG-CD2 4.44Å; L359-Y406 HydrophobicContact CG-CE1 3.76Å; L359-Y406 HydrophobicContact CG-CE2 4.46Å; L359-Y406 HydrophobicContact CG-CG 4.08Å; L359-Y406 CarbonylContact O-C 3.55Å; L359-Y406 VanDerWaalsContact O-CA 3.28Å; L359-Y406 WeakPolarHBondContact O-CA 3.35Å; L359-D407 PolarHBondContact O-N 3.19Å; L359-L408 HydrophobicContact CB-CD2 3.87Å
360	H	96.3	Very high	98.2	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-80.7	-14.8	176.3	-74.2	-67.9	0	0	0	113.6	F237 Y246 T357 I358 Y406	F237-H360 HydrophobicContact CE1-CB 4.24Å; F237-H360 HydrophobicContact CZ-CB 3.72Å; F237-H360 AromaticContact CZ-CG 3.99Å; F237-H360 AromaticContact CZ-ND1 3.65Å; Y246-H360 AromaticContact CE2-CE1 3.81Å; Y246-H360 AromaticContact CE2-NE2 3.62Å; Y246-H360 AromaticContact CZ-NE2 3.75Å; Y246-H360 PolarHBondContact OH-NE2 2.91Å; T357-H360 WeakPolarHBondContact O-CB 3.35Å; T357-H360 PolarHBondContact O-CD2 2.78Å; T357-H360 PolarHBondContact O-N 2.61Å; T357-H360 VanDerWaalsContact O-N 3.12Å; I358-H360 PolarHBondContact O-N 3.47Å; I358-H360 VanDerWaalsContact O-N 3.11Å; H360-Y406 AromaticContact CE1-CE1 3.46Å; H360-Y406 VanDerWaalsContact CE1-CE1 3.46Å; H360-Y406 WeakPolarHBondContact CE1-CE1 3.24Å; H360-Y406 AromaticContact ND1-CE1 3.84Å; H360-Y406 AromaticContact NE2-CE1 3.91Å
361	I	96.8	Very high	98.2	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.077	13%	0.133	C	C	.	.			trans	-98.1	122.6	-171.9	-51.7	-54.1	0	0	0	110.4	T340 I358 K364 L367	T340-I361 HydrophobicContact CG2-CD1 3.93Å; T340-I361 HydrophobicContact CG2-CG2 3.75Å; I358-I361 HydrophobicContact CG2-CB 4.34Å; I358-I361 HydrophobicContact CG2-CG1 4.49Å; I358-I361 WeakPolarHBondContact O-CB 3.45Å; I358-I361 PolarHBondContact O-N 3.15Å; I361-K364 PolarHBondContact O-NZ 3.46Å; I361-L367 HydrophobicContact CB-CD2 4.44Å; I361-L367 HydrophobicContact CG1-CD2 4.14Å; I361-L367 HydrophobicContact CG2-CB 4.44Å; I361-L367 HydrophobicContact CG2-CD2 4.11Å
362	Q	96	Very high	98.2	Very high	123 Å²	123	28.6 Å²	28.6	58%	0.575	14%	0.144	S	C	*	.	S	Bend	trans	-78.5	-37.3	-175.3	-53.5	-58.8	-58.3	0	0	113.1	G405	Q362-G405 PolarHBondContact NE2-O 3.11Å
363	D	97.5	Very high	98.2	Very high	88 Å²	88	33.8 Å²	33.8	47%	0.471	17%	0.166	S	C	.	.			trans	-106.9	71.1	177.4	-167.9	-14.2	0	0	0	110.9	P365 A366 L367	D363-P365 WeakPolarHBondContact OD1-CD 3.23Å; D363-A366 HydrophobicContact CB-CB 4.11Å; D363-A366 PolarHBondContact O-N 3.23Å; D363-A366 VanDerWaalsContact OD1-CB 3.31Å; D363-A366 WeakPolarHBondContact OD1-CB 3.35Å; D363-A366 PolarHBondContact OD1-N 3.41Å; D363-A366 WeakPolarHBondContact OD2-CB 3.33Å; D363-L367 PolarHBondContact O-N 2.89Å; D363-L367 VanDerWaalsContact O-N 3.16Å
364	K	98.7	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-55.8	-43	175.4	-62.7	179.5	176.5	48.4	0	112.7	I358 I361 A366 L367 F368 D407 Y414 M417	I358-K364 HydrophobicContact CG2-CD 3.97Å; I358-K364 HydrophobicContact CG2-CG 3.77Å; I358-K364 VanDerWaalsContact O-CE 3.31Å; I358-K364 WeakPolarHBondContact O-CE 3.19Å; I358-K364 PolarHBondContact O-NZ 2.7Å; I358-K364 VanDerWaalsContact O-NZ 3.08Å; I361-K364 PolarHBondContact O-NZ 3.46Å; K364-A366 VanDerWaalsContact C-N 3.34Å; K364-A366 PolarHBondContact O-N 3.29Å; K364-L367 PolarHBondContact O-N 2.92Å; K364-F368 HydrophobicContact CB-CE2 3.95Å; K364-F368 HydrophobicContact CB-CZ 3.89Å; K364-F368 HydrophobicContact CG-CZ 4.47Å; K364-F368 WeakPolarHBondContact O-CD2 3.43Å; K364-F368 VanDerWaalsContact O-CG 3.27Å; K364-F368 WeakPolarHBondContact O-CG 3.27Å; K364-F368 PolarHBondContact O-N 2.69Å; K364-D407 WeakPolarHBondContact CE-O 3.34Å; K364-D407 PolarHBondContact NZ-O 3.13Å; K364-D407 IonicContact NZ-OD2 2.66Å; K364-D407 PolarHBondContact NZ-OD2 2.96Å; K364-Y414 HydrophobicContact CD-CD2 4.36Å; K364-Y414 HydrophobicContact CD-CE2 3.87Å; K364-M417 HydrophobicContact CB-CE 4.29Å; K364-M417 HydrophobicContact CB-SD 4.1Å; K364-M417 HydrophobicContact CD-CE 4Å
365	P	98.6	Very high	98.2	Very high	45 Å²	45	33.9 Å²	33.9	29%	0.292	17%	0.167	S	C	.	.	H	α-helix	trans	-57.9	-40.8	176.2	-27	36	0	0	0	113.9	D363 R369 M417	D363-P365 WeakPolarHBondContact OD1-CD 3.23Å; P365-R369 WeakPolarHBondContact O-CG 3.47Å; P365-R369 PolarHBondContact O-N 3.28Å; P365-R369 PolarHBondContact O-NH1 2.79Å; P365-M417 HydrophobicContact CG-CG 4.27Å; P365-M417 HydrophobicContact CG-SD 3.73Å
366	A	98.4	Very high	98.2	Very high	28 Å²	28	36.2 Å²	36.2	23%	0.231	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-48.2	174.5	0	0	0	0	0	111.7	D363 K364 F368 R369 T370	D363-A366 HydrophobicContact CB-CB 4.11Å; D363-A366 PolarHBondContact O-N 3.23Å; D363-A366 VanDerWaalsContact OD1-CB 3.31Å; D363-A366 WeakPolarHBondContact OD1-CB 3.35Å; D363-A366 PolarHBondContact OD1-N 3.41Å; D363-A366 WeakPolarHBondContact OD2-CB 3.33Å; K364-A366 VanDerWaalsContact C-N 3.34Å; K364-A366 PolarHBondContact O-N 3.29Å; A366-F368 VanDerWaalsContact C-N 3.33Å; A366-F368 PolarHBondContact O-N 2.95Å; A366-R369 VanDerWaalsContact CA-NH2 3.28Å; A366-R369 PolarHBondContact O-N 3.47Å; A366-T370 PolarHBondContact O-N 3.49Å; A366-T370 PolarHBondContact O-OG1 2.91Å
367	L	98.6	Very high	98.2	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-45.2	178.3	-176.6	64.2	0	0	0	112.1	C339 I358 I361 D363 K364 R369 T370 F371	C339-L367 HydrophobicContact CB-CD1 4.2Å; C339-L367 WeakPolarHBondContact O-CD1 3.32Å; I358-L367 HydrophobicContact CD1-CD2 4.46Å; I358-L367 HydrophobicContact CG1-CD2 4.13Å; I358-L367 HydrophobicContact CG2-CD2 4.34Å; I361-L367 HydrophobicContact CB-CD2 4.44Å; I361-L367 HydrophobicContact CG1-CD2 4.14Å; I361-L367 HydrophobicContact CG2-CB 4.44Å; I361-L367 HydrophobicContact CG2-CD2 4.11Å; D363-L367 PolarHBondContact O-N 2.89Å; D363-L367 VanDerWaalsContact O-N 3.16Å; K364-L367 PolarHBondContact O-N 2.92Å; L367-R369 PolarHBondContact O-N 3.39Å; L367-T370 WeakPolarHBondContact O-CA 3.42Å; L367-T370 WeakPolarHBondContact O-CB 3.34Å; L367-T370 PolarHBondContact O-N 3.19Å; L367-T370 PolarHBondContact O-OG1 3.37Å; L367-F371 HydrophobicContact CD1-CD1 4.13Å; L367-F371 HydrophobicContact CD1-CE1 3.48Å; L367-F371 VanDerWaalsContact CD1-CE1 3.48Å; L367-F371 HydrophobicContact CD1-CZ 3.87Å; L367-F371 HydrophobicContact CD2-CE1 4.28Å; L367-F371 HydrophobicContact CD2-CE2 4.27Å; L367-F371 HydrophobicContact CD2-CZ 3.77Å; L367-F371 HydrophobicContact CG-CD1 4.27Å; L367-F371 HydrophobicContact CG-CE1 3.73Å; L367-F371 HydrophobicContact CG-CE2 4.17Å; L367-F371 HydrophobicContact CG-CZ 3.67Å; L367-F371 PolarHBondContact O-N 3.25Å
368	F	98.8	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-34.9	-179.1	-60.7	-19.7	0	0	0	113	I358 K364 A366 T370 F371 F372 I383 Y414 M417 L418 A421 F423	I358-F368 HydrophobicContact CD1-CE1 4.25Å; I358-F368 HydrophobicContact CG2-CE1 4.21Å; I358-F368 HydrophobicContact CG2-CZ 4.28Å; K364-F368 HydrophobicContact CB-CE2 3.95Å; K364-F368 HydrophobicContact CB-CZ 3.89Å; K364-F368 HydrophobicContact CG-CZ 4.47Å; K364-F368 WeakPolarHBondContact O-CD2 3.43Å; K364-F368 VanDerWaalsContact O-CG 3.27Å; K364-F368 WeakPolarHBondContact O-CG 3.27Å; K364-F368 PolarHBondContact O-N 2.69Å; A366-F368 VanDerWaalsContact C-N 3.33Å; A366-F368 PolarHBondContact O-N 2.95Å; F368-T370 VanDerWaalsContact C-N 3.26Å; F368-T370 PolarHBondContact O-N 3.05Å; F368-F371 HydrophobicContact CD1-CD2 4.07Å; F368-F371 HydrophobicContact CD1-CE2 4.3Å; F368-F371 PolarHBondContact O-N 2.95Å; F368-F372 PolarHBondContact O-N 3.42Å; F368-I383 HydrophobicContact CE1-CD1 3.94Å; F368-Y414 HydrophobicContact CE1-CE1 4.3Å; F368-Y414 HydrophobicContact CE2-CD1 4.24Å; F368-Y414 AromaticContact CE2-CE1 3.83Å; F368-Y414 HydrophobicContact CE2-CE1 3.83Å; F368-Y414 HydrophobicContact CZ-CD1 4.18Å; F368-Y414 AromaticContact CZ-CE1 3.34Å; F368-Y414 HydrophobicContact CZ-CE1 3.34Å; F368-Y414 AromaticContact CZ-CZ 3.56Å; F368-Y414 WeakPolarHBondContact CZ-OH 3.33Å; F368-M417 HydrophobicContact CD2-CB 3.84Å; F368-M417 HydrophobicContact CE2-CB 3.81Å; F368-L418 HydrophobicContact CB-CD2 4.3Å; F368-L418 HydrophobicContact CD1-CD2 4.08Å; F368-L418 HydrophobicContact CD2-CD2 3.9Å; F368-L418 HydrophobicContact CD2-CG 4.08Å; F368-L418 HydrophobicContact CE1-CD2 4.46Å; F368-L418 HydrophobicContact CE2-CD2 4.28Å; F368-L418 HydrophobicContact CE2-CG 4.19Å; F368-L418 HydrophobicContact CG-CD2 3.83Å; F368-A421 HydrophobicContact CB-CB 3.61Å; F368-F423 HydrophobicContact CB-CE2 4.49Å; F368-F423 WeakPolarHBondContact O-CE2 3.49Å
369	R	98.6	Very high	98.1	Very high	130 Å²	130	41.7 Å²	41.7	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-36.7	170.9	-72	-174	-61.9	-89.4	4.1	111.5	P365 A366 L367 K373 A421	P365-R369 WeakPolarHBondContact O-CG 3.47Å; P365-R369 PolarHBondContact O-N 3.28Å; P365-R369 PolarHBondContact O-NH1 2.79Å; A366-R369 VanDerWaalsContact CA-NH2 3.28Å; A366-R369 PolarHBondContact O-N 3.47Å; L367-R369 PolarHBondContact O-N 3.39Å; R369-K373 PolarHBondContact O-N 2.81Å; R369-A421 HydrophobicContact CG-CB 4.15Å
370	T	98.5	Very high	98.1	Very high	41 Å²	41	44 Å²	44	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-68.3	-43.3	175.6	-31.9	0	0	0	0	111.3	A366 L367 F368 F372 K373 W374	A366-T370 PolarHBondContact O-N 3.49Å; A366-T370 PolarHBondContact O-OG1 2.91Å; L367-T370 WeakPolarHBondContact O-CA 3.42Å; L367-T370 WeakPolarHBondContact O-CB 3.34Å; L367-T370 PolarHBondContact O-N 3.19Å; L367-T370 PolarHBondContact O-OG1 3.37Å; F368-T370 VanDerWaalsContact C-N 3.26Å; F368-T370 PolarHBondContact O-N 3.05Å; T370-F372 VanDerWaalsContact C-N 3.33Å; T370-F372 PolarHBondContact O-N 2.92Å; T370-K373 WeakPolarHBondContact O-CB 3.31Å; T370-K373 PolarHBondContact O-N 3.13Å; T370-K373 VanDerWaalsContact O-N 3.13Å; T370-W374 HydrophobicContact CG2-CD2 4.19Å; T370-W374 VanDerWaalsContact CG2-CE2 3.48Å; T370-W374 HydrophobicContact CG2-CH2 4Å; T370-W374 HydrophobicContact CG2-CZ2 3.35Å; T370-W374 PolarHBondContact O-N 3.34Å
371	F	98.6	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-45.5	173.7	-71.8	-1.1	0	0	0	111.8	V289 I352 I358 L367 F368 K373 W374 L375 V381 I383 F423	V289-F371 HydrophobicContact CB-CZ 4.22Å; V289-F371 HydrophobicContact CG1-CZ 4.19Å; V289-F371 HydrophobicContact CG2-CE1 3.89Å; V289-F371 HydrophobicContact CG2-CZ 3.76Å; I352-F371 HydrophobicContact CD1-CB 3.77Å; I352-F371 HydrophobicContact CD1-CD1 4.21Å; I352-F371 HydrophobicContact CD1-CG 4.04Å; I352-F371 WeakPolarHBondContact CD1-O 3.37Å; I352-F371 HydrophobicContact CG2-CD1 4.24Å; I352-F371 HydrophobicContact CG2-CD2 3.95Å; I352-F371 HydrophobicContact CG2-CE1 4.26Å; I352-F371 HydrophobicContact CG2-CE2 3.97Å; I352-F371 HydrophobicContact CG2-CG 4.09Å; I352-F371 HydrophobicContact CG2-CZ 4.13Å; I358-F371 HydrophobicContact CD1-CE2 4.11Å; I358-F371 HydrophobicContact CD1-CZ 4.49Å; L367-F371 HydrophobicContact CD1-CD1 4.13Å; L367-F371 HydrophobicContact CD1-CE1 3.48Å; L367-F371 VanDerWaalsContact CD1-CE1 3.48Å; L367-F371 HydrophobicContact CD1-CZ 3.87Å; L367-F371 HydrophobicContact CD2-CE1 4.28Å; L367-F371 HydrophobicContact CD2-CE2 4.27Å; L367-F371 HydrophobicContact CD2-CZ 3.77Å; L367-F371 HydrophobicContact CG-CD1 4.27Å; L367-F371 HydrophobicContact CG-CE1 3.73Å; L367-F371 HydrophobicContact CG-CE2 4.17Å; L367-F371 HydrophobicContact CG-CZ 3.67Å; L367-F371 PolarHBondContact O-N 3.25Å; F368-F371 HydrophobicContact CD1-CD2 4.07Å; F368-F371 HydrophobicContact CD1-CE2 4.3Å; F368-F371 PolarHBondContact O-N 2.95Å; F371-K373 PolarHBondContact O-N 3.44Å; F371-W374 HydrophobicContact CD1-CE3 4.17Å; F371-W374 HydrophobicContact CD1-CZ3 4.26Å; F371-W374 HydrophobicContact CE1-CZ3 4.3Å; F371-W374 PolarHBondContact O-N 3.33Å; F371-W374 VanDerWaalsContact O-N 3.15Å; F371-L375 WeakPolarHBondContact O-CB 3.24Å; F371-L375 PolarHBondContact O-N 2.84Å; F371-V381 HydrophobicContact CD2-CG2 4.24Å; F371-I383 HydrophobicContact CE2-CD1 4.33Å; F371-F423 HydrophobicContact CB-CE2 4.42Å; F371-F423 HydrophobicContact CB-CZ 3.96Å
372	F	98.7	Very high	98.4	Very high	56 Å²	56	42.7 Å²	42.7	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-38.1	177.4	-173.1	-94.9	0	0	0	112	F368 T370 G422 F423 K490	F368-F372 PolarHBondContact O-N 3.42Å; T370-F372 VanDerWaalsContact C-N 3.33Å; T370-F372 PolarHBondContact O-N 2.92Å; F372-G422 VanDerWaalsContact CE2-C 3.4Å; F372-G422 WeakPolarHBondContact CE2-O 3.1Å; F372-F423 HydrophobicContact CB-CE2 3.99Å; F372-F423 HydrophobicContact CB-CZ 3.95Å; F372-F423 HydrophobicContact CD2-CD1 4.02Å; F372-F423 HydrophobicContact CD2-CD2 4.3Å; F372-F423 HydrophobicContact CD2-CE1 4.09Å; F372-F423 HydrophobicContact CD2-CE2 4.37Å; F372-F423 HydrophobicContact CD2-CG 4.13Å; F372-F423 HydrophobicContact CD2-CZ 4.27Å; F372-K490 HydrophobicContact CD2-CB 4.48Å; F372-K490 HydrophobicContact CD2-CD 4.41Å; F372-K490 HydrophobicContact CD2-CG 4.28Å; F372-K490 HydrophobicContact CE2-CB 4.15Å; F372-K490 HydrophobicContact CE2-CD 4.22Å; F372-K490 HydrophobicContact CE2-CG 3.72Å; F372-K490 HydrophobicContact CZ-CD 4.35Å; F372-K490 HydrophobicContact CZ-CG 3.98Å; F372-K490 VanDerWaalsContact O-CD 3.3Å; F372-K490 WeakPolarHBondContact O-CD 3.42Å; F372-K490 WeakPolarHBondContact O-CE 3.38Å; F372-K490 PolarHBondContact O-NZ 2.64Å
373	K	98.4	Very high	98.5	Very high	108 Å²	108	36.9 Å²	36.9	47%	0.47	20%	0.203	S	C	.	.	H	α-helix	trans	-68.8	-44.9	174.9	-70.6	-179.3	62.6	-175.2	0	112.9	D346 N347 R369 T370 F371	D346-K373 VanDerWaalsContact CA-O 3.31Å; D346-K373 WeakPolarHBondContact CA-O 3.3Å; D346-K373 WeakPolarHBondContact OD1-CE 3.33Å; D346-K373 IonicContact OD1-NZ 2.76Å; N347-K373 PolarHBondContact N-O 3.02Å; R369-K373 PolarHBondContact O-N 2.81Å; T370-K373 WeakPolarHBondContact O-CB 3.31Å; T370-K373 PolarHBondContact O-N 3.13Å; T370-K373 VanDerWaalsContact O-N 3.13Å; F371-K373 PolarHBondContact O-N 3.44Å
374	W	98.7	Very high	98.6	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-72.1	-28.3	-175.9	-65	-13.4	0	0	0	114.1	L287 K342 Y344 N347 S348 F349 I352 T370 F371	L287-W374 HydrophobicContact CD2-CE3 3.64Å; L287-W374 HydrophobicContact CD2-CZ3 3.88Å; K342-W374 HydrophobicContact CB-CH2 4.47Å; K342-W374 WeakPolarHBondContact O-CH2 3.48Å; K342-W374 WeakPolarHBondContact O-CZ2 3.36Å; Y344-W374 AromaticContact CD2-CD2 3.87Å; Y344-W374 HydrophobicContact CD2-CD2 3.87Å; Y344-W374 AromaticContact CD2-CE2 3.91Å; Y344-W374 AromaticContact CD2-CE3 3.79Å; Y344-W374 HydrophobicContact CD2-CE3 3.79Å; Y344-W374 AromaticContact CD2-CH2 3.87Å; Y344-W374 HydrophobicContact CD2-CH2 3.87Å; Y344-W374 AromaticContact CD2-CZ2 3.94Å; Y344-W374 HydrophobicContact CD2-CZ2 3.94Å; Y344-W374 AromaticContact CD2-CZ3 3.78Å; Y344-W374 HydrophobicContact CD2-CZ3 3.78Å; Y344-W374 HydrophobicContact CE2-CE3 4.49Å; Y344-W374 HydrophobicContact CE2-CH2 4.32Å; Y344-W374 HydrophobicContact CE2-CZ3 4.17Å; Y344-W374 HydrophobicContact CG-CD2 4.48Å; Y344-W374 PolarHBondContact O-NE1 3.18Å; N347-W374 CarbonylContact C-O 3.58Å; N347-W374 WeakPolarHBondContact CA-O 3.45Å; N347-W374 PolarHBondContact N-O 2.87Å; S348-W374 PolarHBondContact N-O 2.71Å; F349-W374 HydrophobicContact CD2-CB 4Å; F349-W374 HydrophobicContact CE2-CB 4.27Å; F349-W374 PolarHBondContact N-O 3.33Å; F349-W374 VanDerWaalsContact N-O 3.11Å; I352-W374 HydrophobicContact CD1-CB 4.15Å; T370-W374 HydrophobicContact CG2-CD2 4.19Å; T370-W374 VanDerWaalsContact CG2-CE2 3.48Å; T370-W374 HydrophobicContact CG2-CH2 4Å; T370-W374 HydrophobicContact CG2-CZ2 3.35Å; T370-W374 PolarHBondContact O-N 3.34Å; F371-W374 HydrophobicContact CD1-CE3 4.17Å; F371-W374 HydrophobicContact CD1-CZ3 4.26Å; F371-W374 HydrophobicContact CE1-CZ3 4.3Å; F371-W374 PolarHBondContact O-N 3.33Å; F371-W374 VanDerWaalsContact O-N 3.15Å
375	L	98.7	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.3	178	-160.9	67.6	0	0	0	110.7	N347 F349 I352 F371 K380 F423 K490	N347-L375 PolarHBondContact OD1-O 3.21Å; F349-L375 CarbonylContact O-C 3.57Å; I352-L375 HydrophobicContact CB-CD1 4.41Å; I352-L375 HydrophobicContact CD1-CB 4.12Å; I352-L375 HydrophobicContact CD1-CD1 4.18Å; I352-L375 HydrophobicContact CG1-CD1 3.88Å; F371-L375 WeakPolarHBondContact O-CB 3.24Å; F371-L375 PolarHBondContact O-N 2.84Å; L375-K380 WeakPolarHBondContact CD1-O 3.38Å; L375-F423 HydrophobicContact CD2-CE1 3.79Å; L375-K490 HydrophobicContact CB-CD 4.17Å; L375-K490 HydrophobicContact CD2-CB 3.88Å; L375-K490 HydrophobicContact CG-CB 4.47Å; L375-K490 VanDerWaalsContact O-CD 3.3Å; L375-K490 WeakPolarHBondContact O-CD 3.48Å; L375-K490 WeakPolarHBondContact O-CE 3.49Å; L375-K490 PolarHBondContact O-NZ 3.43Å
376	K	98.7	Very high	98.6	Very high	63 Å²	63	31.3 Å²	31.3	27%	0.274	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	152.3	172.3	-70.4	167.2	-176.8	172.3	0	110.7	N347 F349 D350 G378 G379	N347-K376 HydrophobicContact CB-CG 4.06Å; N347-K376 WeakPolarHBondContact O-CG 3.48Å; F349-K376 WeakPolarHBondContact O-CB 3.5Å; F349-K376 WeakPolarHBondContact O-CG 3.36Å; F349-K376 PolarHBondContact O-N 3.45Å; D350-K376 VanDerWaalsContact OD1-CD 3.26Å; D350-K376 WeakPolarHBondContact OD1-CD 3.26Å; D350-K376 IonicContact OD1-NZ 2.89Å; D350-K376 PolarHBondContact OD1-NZ 2.99Å; D350-K376 IonicContact OD2-NZ 3.32Å; D350-K376 PolarHBondContact OD2-NZ 3.31Å; K376-G378 PolarHBondContact O-N 2.98Å; K376-G379 WeakPolarHBondContact O-CA 3.39Å; K376-G379 PolarHBondContact O-N 3.48Å
377	P	98.3	Very high	98.6	Very high	83 Å²	83	30 Å²	30	54%	0.539	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.8	165.1	-19.9	33.1	0	0	0	110.1	N347 G379	N347-P377 WeakPolarHBondContact OD1-CD 3.3Å; P377-G379 VanDerWaalsContact C-N 3.31Å
378	G	97.3	Very high	98.6	Very high	64 Å²	64	32.7 Å²	32.7	66%	0.66	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	82	-1.3	-170.1	0	0	0	0	0	115.3	K376 K490	K376-G378 PolarHBondContact O-N 2.98Å; G378-K490 WeakPolarHBondContact CA-O 3.48Å; G378-K490 PolarHBondContact N-O 2.65Å
379	G	98.3	Very high	98.5	Very high	5 Å²	5	34 Å²	34	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	168.2	177.5	0	0	0	0	0	113.5	D350 K376 P377 K490	D350-G379 CarbonylContact O-C 3.58Å; D350-G379 WeakPolarHBondContact O-CA 3.4Å; K376-G379 WeakPolarHBondContact O-CA 3.39Å; K376-G379 PolarHBondContact O-N 3.48Å; P377-G379 VanDerWaalsContact C-N 3.31Å; G379-K490 PolarHBondContact O-N 2.77Å
380	K	98.6	Very high	98.5	Very high	51 Å²	51	31.7 Å²	31.7	22%	0.222	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	-178.7	-54	-163.7	166.3	-76.6	0	113.1	D350 V351 I352 L375 A488 D489	D350-K380 PolarHBondContact O-N 2.93Å; V351-K380 CarbonylContact C-O 3.49Å; V351-K380 VanDerWaalsContact CA-O 3.23Å; V351-K380 WeakPolarHBondContact CA-O 3.15Å; V351-K380 HydrophobicContact CG2-CB 4.48Å; I352-K380 PolarHBondContact N-O 3.22Å; L375-K380 WeakPolarHBondContact CD1-O 3.38Å; K380-A488 CarbonylContact C-O 3.55Å; K380-A488 WeakPolarHBondContact CA-O 3.48Å; K380-D489 VanDerWaalsContact CG-OD1 3.3Å; K380-D489 WeakPolarHBondContact CG-OD1 3.43Å; K380-D489 IonicContact NZ-OD1 3.57Å; K380-D489 PolarHBondContact NZ-OD1 2.91Å; K380-D489 IonicContact NZ-OD2 3.41Å; K380-D489 PolarHBondContact NZ-OD2 3.01Å
381	V	98.8	Very high	98.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.1	162.8	61.7	0	0	0	0	109.2	I352 F371 I383 L418 F423 I487 A488	I352-V381 HydrophobicContact CB-CG2 4.29Å; I352-V381 HydrophobicContact CG2-CG2 4.34Å; I352-V381 CarbonylContact O-C 3.55Å; I352-V381 VanDerWaalsContact O-CA 3.3Å; I352-V381 WeakPolarHBondContact O-CA 3.11Å; F371-V381 HydrophobicContact CD2-CG2 4.24Å; V381-I383 HydrophobicContact CG2-CD1 3.86Å; V381-I383 HydrophobicContact CG2-CG1 3.99Å; V381-L418 HydrophobicContact CG1-CD2 4.39Å; V381-F423 HydrophobicContact CB-CE1 4.06Å; V381-F423 HydrophobicContact CB-CZ 4.28Å; V381-F423 HydrophobicContact CG1-CD1 3.76Å; V381-F423 HydrophobicContact CG1-CE1 3.55Å; V381-F423 HydrophobicContact CG1-CE2 4.41Å; V381-F423 HydrophobicContact CG1-CG 4.3Å; V381-F423 HydrophobicContact CG1-CZ 3.9Å; V381-I487 VanDerWaalsContact O-CA 3.31Å; V381-I487 WeakPolarHBondContact O-CA 3.03Å; V381-A488 HydrophobicContact CG1-CB 3.75Å; V381-A488 PolarHBondContact N-O 2.66Å; V381-A488 PolarHBondContact O-N 3.04Å
382	L	98.8	Very high	98.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.3	173.3	-173.5	151.4	0	0	0	109.8	F274 K277 M278 I352 Y353 S354 L485 F486 I487	F274-L382 HydrophobicContact CB-CD1 4.27Å; F274-L382 HydrophobicContact CB-CD2 3.97Å; F274-L382 VanDerWaalsContact O-CD1 3.31Å; F274-L382 WeakPolarHBondContact O-CD1 3.3Å; K277-L382 HydrophobicContact CB-CD1 4.14Å; M278-L382 HydrophobicContact CE-CB 4.02Å; M278-L382 HydrophobicContact CE-CD1 4.06Å; M278-L382 HydrophobicContact CE-CD2 3.95Å; M278-L382 HydrophobicContact CE-CG 4.23Å; M278-L382 HydrophobicContact CG-CB 4.45Å; M278-L382 HydrophobicContact CG-CD1 4.03Å; I352-L382 PolarHBondContact O-N 3.2Å; Y353-L382 CarbonylContact C-O 3.46Å; Y353-L382 WeakPolarHBondContact CA-O 3.18Å; Y353-L382 HydrophobicContact CD2-CD2 3.74Å; Y353-L382 HydrophobicContact CE2-CD2 3.74Å; S354-L382 PolarHBondContact N-O 3.06Å; L382-L485 HydrophobicContact CD1-CD1 4.35Å; L382-L485 HydrophobicContact CD2-CD1 3.92Å; L382-L485 HydrophobicContact CG-CD1 3.99Å; L382-F486 CarbonylContact C-O 3.58Å; L382-F486 WeakPolarHBondContact CA-O 3.34Å; L382-I487 HydrophobicContact CD1-CD1 3.98Å; L382-I487 HydrophobicContact CD1-CG1 3.95Å; L382-I487 HydrophobicContact CG-CG1 4.02Å
383	I	98.9	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.3	-178.2	-62.4	161.1	0	0	0	109	S354 I358 F368 F371 V381 D385 L418 L485 F486	S354-I383 WeakPolarHBondContact O-CA 3.48Å; I358-I383 HydrophobicContact CD1-CB 4.47Å; I358-I383 HydrophobicContact CD1-CD1 3.73Å; I358-I383 HydrophobicContact CD1-CG1 3.87Å; I358-I383 HydrophobicContact CD1-CG2 3.74Å; F368-I383 HydrophobicContact CE1-CD1 3.94Å; F371-I383 HydrophobicContact CE2-CD1 4.33Å; V381-I383 HydrophobicContact CG2-CD1 3.86Å; V381-I383 HydrophobicContact CG2-CG1 3.99Å; I383-D385 HydrophobicContact CG2-CB 4.15Å; I383-L418 HydrophobicContact CD1-CD2 4.38Å; I383-L485 WeakPolarHBondContact O-CA 3.44Å; I383-F486 HydrophobicContact CB-CB 4.31Å; I383-F486 HydrophobicContact CB-CD2 4.32Å; I383-F486 HydrophobicContact CG2-CD2 4.21Å; I383-F486 PolarHBondContact N-O 3.25Å; I383-F486 PolarHBondContact O-N 2.89Å
384	T	98.9	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.7	153.2	70.9	0	0	0	0	109.5	F274 S354 R355 D356 W483 G484 L485	F274-T384 HydrophobicContact CD2-CG2 3.59Å; F274-T384 HydrophobicContact CE2-CG2 3.45Å; F274-T384 VanDerWaalsContact CE2-CG2 3.45Å; F274-T384 HydrophobicContact CG-CG2 4.34Å; F274-T384 HydrophobicContact CZ-CG2 4.09Å; S354-T384 PolarHBondContact O-N 3.45Å; R355-T384 VanDerWaalsContact CD-OG1 3.29Å; R355-T384 WeakPolarHBondContact CD-OG1 3.47Å; R355-T384 PolarHBondContact NE-OG1 2.94Å; D356-T384 PolarHBondContact N-O 3.27Å; D356-T384 WeakPolarHBondContact OD1-CB 3.22Å; D356-T384 PolarHBondContact OD1-OG1 2.9Å; T384-W483 HydrophobicContact CG2-CZ2 4.16Å; T384-G484 VanDerWaalsContact CA-O 3.26Å; T384-G484 WeakPolarHBondContact CA-O 3.11Å; T384-L485 HydrophobicContact CG2-CD1 3.78Å
385	D	98.8	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.8	178.5	-152.8	10.6	0	0	0	113.2	I358 L359 I383 Y414 G484 F486	I358-D385 WeakPolarHBondContact CA-OD2 3.29Å; I358-D385 WeakPolarHBondContact CB-OD2 3.27Å; L359-D385 WeakPolarHBondContact CB-OD1 3.38Å; L359-D385 VanDerWaalsContact N-CG 3.28Å; L359-D385 PolarHBondContact N-OD1 2.8Å; L359-D385 PolarHBondContact N-OD2 3.48Å; I383-D385 HydrophobicContact CG2-CB 4.15Å; D385-Y414 HydrophobicContact CB-CE2 3.99Å; D385-Y414 WeakPolarHBondContact OD2-CE2 3.49Å; D385-Y414 PolarHBondContact OD2-OH 2.79Å; D385-G484 PolarHBondContact N-O 3.09Å; D385-G484 PolarHBondContact O-N 3.16Å; D385-F486 HydrophobicContact CB-CE2 4.44Å
386	Y	98.7	Very high	97.9	Very high	17 Å²	17	48.9 Å²	48.9	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.8	170.5	-76.5	15	0	0	0	109	D356 L359 Y406 L408 F435 W483	D356-Y386 HydrophobicContact CB-CE1 4.43Å; L359-Y386 HydrophobicContact CD1-CD2 3.65Å; L359-Y386 HydrophobicContact CD1-CE2 4.46Å; L359-Y386 HydrophobicContact CD1-CG 3.7Å; Y386-Y406 HydrophobicContact CD2-CE2 4.39Å; Y386-L408 WeakPolarHBondContact O-CD2 3.49Å; Y386-F435 AromaticContact CE1-CE2 3.99Å; Y386-F435 HydrophobicContact CE1-CE2 3.99Å; Y386-F435 AromaticContact CE1-CZ 3.88Å; Y386-F435 HydrophobicContact CE1-CZ 3.88Å; Y386-F435 HydrophobicContact CE2-CZ 4.45Å; Y386-F435 AromaticContact CZ-CZ 3.74Å; Y386-W483 AromaticContact CD1-CD1 3.9Å
387	C	98.7	Very high	97.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	179.7	-179.4	-71.2	0	0	0	0	109.4	H409 V411 K482	C387-H409 CarbonylContact C-O 3.58Å; C387-H409 VanDerWaalsContact CA-O 3.27Å; C387-H409 WeakPolarHBondContact CA-O 3.22Å; C387-H409 VanDerWaalsContact CB-O 3.23Å; C387-H409 WeakPolarHBondContact CB-O 3.45Å; C387-V411 HydrophobicContact CB-CG2 3.93Å; C387-K482 HydrophobicContact CB-CB 3.7Å; C387-K482 PolarHBondContact N-O 2.91Å; C387-K482 PolarHBondContact O-N 2.87Å
388	R	98.5	Very high	97.8	Very high	61 Å²	61	44 Å²	44	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	166.9	173.5	57	172.1	-79.3	-163.9	-13.2	111.9	E391 P393 F397 L408 H409 D410 E480	R388-E391 PolarHBondContact NH2-O 2.98Å; R388-P393 VanDerWaalsContact CZ-CG 3.44Å; R388-P393 VanDerWaalsContact NH2-CD 3.3Å; R388-F397 HydrophobicContact CB-CE1 3.9Å; R388-F397 HydrophobicContact CB-CZ 4.27Å; R388-L408 HydrophobicContact CB-CB 4.18Å; R388-L408 VanDerWaalsContact CD-O 3.26Å; R388-L408 WeakPolarHBondContact CD-O 3.49Å; R388-L408 HydrophobicContact CG-CB 3.86Å; R388-H409 PolarHBondContact N-O 3.06Å; R388-D410 WeakPolarHBondContact O-CA 3.43Å; R388-D410 WeakPolarHBondContact O-CB 3.42Å; R388-E480 CarbonylContact C-O 3.49Å; R388-E480 VanDerWaalsContact CA-O 3.27Å; R388-E480 WeakPolarHBondContact CA-O 3.32Å
389	S	97.7	Very high	97.8	Very high	29 Å²	29	46 Å²	46	20%	0.203	26%	0.262	C	S	.	.			trans	-60.1	152.1	162.5	-174.9	0	0	0	0	110.9	E391 G479 E480	S389-E391 PolarHBondContact O-N 2.95Å; S389-E391 PolarHBondContact OG-N 2.81Å; S389-G479 WeakPolarHBondContact CB-O 3.31Å; S389-E480 PolarHBondContact N-O 3.03Å
390	A	96.8	Very high	97.7	Very high	81 Å²	81	47.3 Å²	47.3	67%	0.669	27%	0.266	S	S	*	.	S	Bend	trans	-64.8	-18.1	168.6	0	0	0	0	0	112.2	D410	A390-D410 HydrophobicContact CB-CB 4.28Å
391	E	96	Very high	97.5	Very high	150 Å²	150	46.1 Å²	46.1	70%	0.701	26%	0.262	S	S	*	.	S	Bend	trans	-70.4	158.1	173.6	-62.5	-174.7	178.6	0	0	112.2	R388 S389	R388-E391 PolarHBondContact NH2-O 2.98Å; S389-E391 PolarHBondContact O-N 2.95Å; S389-E391 PolarHBondContact OG-N 2.81Å
392	T	95.5	Very high	97.3	Very high	128 Å²	128	53.5 Å²	53.5	79%	0.785	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-66.2	135.3	177.7	-60.3	0	0	0	0	110.2
393	P	97.3	Very high	96.9	Very high	26 Å²	26	58.8 Å²	58.8	17%	0.169	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.3	145.7	-179	-17.1	34.5	0	0	0	110.4	R388 F397 A398 I401	R388-P393 VanDerWaalsContact CZ-CG 3.44Å; R388-P393 VanDerWaalsContact NH2-CD 3.3Å; P393-F397 HydrophobicContact CB-CB 4.13Å; P393-F397 HydrophobicContact CB-CD1 3.78Å; P393-F397 HydrophobicContact CB-CG 4.24Å; P393-A398 HydrophobicContact CB-CB 4.29Å; P393-I401 HydrophobicContact CB-CD1 4.42Å; P393-I401 HydrophobicContact CG-CD1 4.21Å
394	S	97.9	Very high	96.5	Very high	36 Å²	36	61.5 Å²	61.5	25%	0.252	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-56.5	157.5	165.3	63.4	0	0	0	0	110.8	E396 F397 A398 E480	S394-E396 PolarHBondContact O-N 2.79Å; S394-F397 PolarHBondContact O-N 3.2Å; S394-F397 VanDerWaalsContact O-N 3.17Å; S394-F397 WeakPolarHBondContact OG-CB 3.34Å; S394-F397 PolarHBondContact OG-N 2.94Å; S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 2.71Å; S394-E480 WeakPolarHBondContact CB-OE1 3.19Å; S394-E480 PolarHBondContact N-OE1 2.85Å; S394-E480 PolarHBondContact OG-OE1 2.89Å; S394-E480 PolarHBondContact OG-OE2 2.97Å
395	P	97.5	Very high	96.1	Very high	118 Å²	118	63 Å²	63	77%	0.766	34%	0.343	S	S	*	.	H	α-helix	trans	-53.7	-36.4	176.2	-28.1	36	0	0	0	113.4	E399	P395-E399 WeakPolarHBondContact O-CB 3.25Å; P395-E399 PolarHBondContact O-N 3.01Å
396	E	96.2	Very high	96	Very high	112 Å²	112	63.8 Å²	63.8	52%	0.523	35%	0.347	S	S	.	.	H	α-helix	trans	-69.6	-45.8	178.4	-172.2	178.3	169.8	0	0	112	S394 A398 E399 Y400	S394-E396 PolarHBondContact O-N 2.79Å; E396-A398 VanDerWaalsContact C-N 3.34Å; E396-A398 PolarHBondContact O-N 3.3Å; E396-E399 PolarHBondContact O-N 2.97Å; E396-Y400 PolarHBondContact O-N 2.8Å
397	F	97.6	Very high	95.9	Very high	1 Å²	1	64.6 Å²	64.6	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-37.3	177.1	-172.9	-152.8	0	0	0	111.8	R388 P393 S394 E399 Y400 I401 L408 E480 Q481	R388-F397 HydrophobicContact CB-CE1 3.9Å; R388-F397 HydrophobicContact CB-CZ 4.27Å; P393-F397 HydrophobicContact CB-CB 4.13Å; P393-F397 HydrophobicContact CB-CD1 3.78Å; P393-F397 HydrophobicContact CB-CG 4.24Å; S394-F397 PolarHBondContact O-N 3.2Å; S394-F397 VanDerWaalsContact O-N 3.17Å; S394-F397 WeakPolarHBondContact OG-CB 3.34Å; S394-F397 PolarHBondContact OG-N 2.94Å; F397-E399 VanDerWaalsContact C-N 3.34Å; F397-E399 PolarHBondContact O-N 3.04Å; F397-Y400 AromaticContact CD2-CD1 3.76Å; F397-Y400 HydrophobicContact CD2-CD1 3.76Å; F397-Y400 AromaticContact CE2-CD1 3.73Å; F397-Y400 HydrophobicContact CE2-CD1 3.73Å; F397-Y400 HydrophobicContact CE2-CE1 4.09Å; F397-Y400 WeakPolarHBondContact O-CB 3.28Å; F397-Y400 PolarHBondContact O-N 2.85Å; F397-I401 HydrophobicContact CD1-CD1 4.16Å; F397-I401 HydrophobicContact CD2-CD1 4.02Å; F397-I401 HydrophobicContact CD2-CG1 3.97Å; F397-I401 HydrophobicContact CE1-CD1 4.06Å; F397-I401 HydrophobicContact CE2-CD1 3.94Å; F397-I401 HydrophobicContact CE2-CG1 3.82Å; F397-I401 HydrophobicContact CG-CD1 4.15Å; F397-I401 HydrophobicContact CZ-CD1 3.95Å; F397-I401 HydrophobicContact CZ-CG1 4.27Å; F397-I401 VanDerWaalsContact O-CG1 3.23Å; F397-I401 WeakPolarHBondContact O-CG1 3.5Å; F397-I401 PolarHBondContact O-N 3.47Å; F397-L408 HydrophobicContact CE2-CD1 3.99Å; F397-L408 HydrophobicContact CZ-CD1 3.61Å; F397-E480 HydrophobicContact CD1-CB 3.77Å; F397-E480 HydrophobicContact CE1-CB 4.08Å; F397-Q481 HydrophobicContact CE1-CB 4.41Å; F397-Q481 HydrophobicContact CE2-CB 4.19Å; F397-Q481 HydrophobicContact CE2-CG 4.3Å; F397-Q481 HydrophobicContact CZ-CB 3.87Å; F397-Q481 HydrophobicContact CZ-CG 4.1Å
398	A	97.6	Very high	95.9	Very high	43 Å²	43	65.2 Å²	65.2	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-41.6	174	0	0	0	0	0	112.2	P393 S394 E396 I401 K402	P393-A398 HydrophobicContact CB-CB 4.29Å; S394-A398 WeakPolarHBondContact O-CB 3.44Å; S394-A398 PolarHBondContact O-N 2.71Å; E396-A398 VanDerWaalsContact C-N 3.34Å; E396-A398 PolarHBondContact O-N 3.3Å; A398-I401 PolarHBondContact O-N 3.35Å; A398-K402 WeakPolarHBondContact O-CB 3.39Å; A398-K402 PolarHBondContact O-N 3.06Å
399	E	96.6	Very high	95.9	Very high	107 Å²	107	64.9 Å²	64.9	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-40	176.1	-173.8	58.4	-156.3	0	0	111.6	P395 E396 F397 K402 Q403	P395-E399 WeakPolarHBondContact O-CB 3.25Å; P395-E399 PolarHBondContact O-N 3.01Å; E396-E399 PolarHBondContact O-N 2.97Å; F397-E399 VanDerWaalsContact C-N 3.34Å; F397-E399 PolarHBondContact O-N 3.04Å; E399-K402 PolarHBondContact O-N 2.78Å; E399-Q403 WeakPolarHBondContact O-CB 3.33Å; E399-Q403 PolarHBondContact O-N 2.94Å
400	Y	95.3	Very high	95.9	Very high	32 Å²	32	65.6 Å²	65.6	13%	0.125	36%	0.358	C	S	.	.	H	α-helix	trans	-59	-48.2	172.7	166.8	-99.9	0	0	0	112.3	E396 F397 K402 Q403 R404 Y406	E396-Y400 PolarHBondContact O-N 2.8Å; F397-Y400 AromaticContact CD2-CD1 3.76Å; F397-Y400 HydrophobicContact CD2-CD1 3.76Å; F397-Y400 AromaticContact CE2-CD1 3.73Å; F397-Y400 HydrophobicContact CE2-CD1 3.73Å; F397-Y400 HydrophobicContact CE2-CE1 4.09Å; F397-Y400 WeakPolarHBondContact O-CB 3.28Å; F397-Y400 PolarHBondContact O-N 2.85Å; Y400-K402 VanDerWaalsContact C-N 3.31Å; Y400-K402 PolarHBondContact O-N 2.92Å; Y400-Q403 PolarHBondContact O-N 2.95Å; Y400-R404 HydrophobicContact CD2-CG 4.16Å; Y400-R404 HydrophobicContact CE2-CG 3.83Å; Y400-R404 WeakPolarHBondContact O-CB 3.45Å; Y400-R404 WeakPolarHBondContact O-CG 3.47Å; Y400-R404 PolarHBondContact O-N 2.79Å; Y400-Y406 HydrophobicContact CE1-CD2 4.02Å; Y400-Y406 AromaticContact CE1-CE2 3.95Å; Y400-Y406 HydrophobicContact CE1-CE2 3.95Å; Y400-Y406 AromaticContact CZ-CE2 3.79Å; Y400-Y406 WeakPolarHBondContact OH-CE2 3.09Å
401	I	96.1	Very high	96	Very high	26 Å²	26	62.5 Å²	62.5	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-56.9	-48.3	177.6	-70.2	167.4	0	0	0	109.8	P393 F397 A398 R404 G405 Y406 L408	P393-I401 HydrophobicContact CB-CD1 4.42Å; P393-I401 HydrophobicContact CG-CD1 4.21Å; F397-I401 HydrophobicContact CD1-CD1 4.16Å; F397-I401 HydrophobicContact CD2-CD1 4.02Å; F397-I401 HydrophobicContact CD2-CG1 3.97Å; F397-I401 HydrophobicContact CE1-CD1 4.06Å; F397-I401 HydrophobicContact CE2-CD1 3.94Å; F397-I401 HydrophobicContact CE2-CG1 3.82Å; F397-I401 HydrophobicContact CG-CD1 4.15Å; F397-I401 HydrophobicContact CZ-CD1 3.95Å; F397-I401 HydrophobicContact CZ-CG1 4.27Å; F397-I401 VanDerWaalsContact O-CG1 3.23Å; F397-I401 WeakPolarHBondContact O-CG1 3.5Å; F397-I401 PolarHBondContact O-N 3.47Å; A398-I401 PolarHBondContact O-N 3.35Å; I401-R404 PolarHBondContact O-N 3.02Å; I401-G405 PolarHBondContact O-N 3.24Å; I401-Y406 WeakPolarHBondContact CG2-O 3.13Å; I401-Y406 PolarHBondContact O-N 3.27Å; I401-L408 HydrophobicContact CD1-CD1 3.88Å; I401-L408 HydrophobicContact CG1-CD1 3.71Å; I401-L408 HydrophobicContact CG1-CG 4.37Å
402	K	93.9	Very high	96.1	Very high	155 Å²	155	63 Å²	63	67%	0.674	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-46.2	179.7	-177.7	-174.8	172.4	-164.4	0	112.5	A398 E399 Y400 R404 G405	A398-K402 WeakPolarHBondContact O-CB 3.39Å; A398-K402 PolarHBondContact O-N 3.06Å; E399-K402 PolarHBondContact O-N 2.78Å; Y400-K402 VanDerWaalsContact C-N 3.31Å; Y400-K402 PolarHBondContact O-N 2.92Å; K402-R404 PolarHBondContact O-N 2.84Å; K402-G405 PolarHBondContact O-N 2.89Å
403	Q	90.2	Very high	96.3	Very high	113 Å²	113	58.5 Å²	58.5	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-34.4	-179.9	-167.5	-157.9	12.5	0	0	111.7	F240 E399 Y400	F240-Q403 WeakPolarHBondContact CZ-O 3.44Å; E399-Q403 WeakPolarHBondContact O-CB 3.33Å; E399-Q403 PolarHBondContact O-N 2.94Å; Y400-Q403 PolarHBondContact O-N 2.95Å
404	R	90	Very high	96.4	Very high	57 Å²	57	57.2 Å²	57.2	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-88.2	-11.9	178.5	-68.9	-68.2	-178	-77.7	-1.1	114.1	Y400 I401 K402 Y406	Y400-R404 HydrophobicContact CD2-CG 4.16Å; Y400-R404 HydrophobicContact CE2-CG 3.83Å; Y400-R404 WeakPolarHBondContact O-CB 3.45Å; Y400-R404 WeakPolarHBondContact O-CG 3.47Å; Y400-R404 PolarHBondContact O-N 2.79Å; I401-R404 PolarHBondContact O-N 3.02Å; K402-R404 PolarHBondContact O-N 2.84Å; R404-Y406 VanDerWaalsContact C-N 3.25Å; R404-Y406 HydrophobicContact CB-CD1 3.71Å; R404-Y406 HydrophobicContact CB-CD2 3.7Å; R404-Y406 HydrophobicContact CB-CE1 3.6Å; R404-Y406 HydrophobicContact CB-CE2 3.62Å; R404-Y406 HydrophobicContact CB-CG 3.76Å; R404-Y406 HydrophobicContact CG-CD2 4.33Å; R404-Y406 HydrophobicContact CG-CE1 4.36Å; R404-Y406 HydrophobicContact CG-CE2 3.85Å; R404-Y406 PolarHBondContact O-N 3.33Å
405	G	91.5	Very high	96.4	Very high	30 Å²	30	55.6 Å²	55.6	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	24.2	-175.2	0	0	0	0	0	113.6	Q362 I401 K402	Q362-G405 PolarHBondContact NE2-O 3.11Å; I401-G405 PolarHBondContact O-N 3.24Å; K402-G405 PolarHBondContact O-N 2.89Å
406	Y	95.9	Very high	96.5	Very high	18 Å²	18	54 Å²	54	7%	0.071	27%	0.272	C	S	.	.			trans	-77	141.7	-176.5	-64.6	-19.4	0	0	0	112.3	Q245 L359 H360 Y386 Y400 I401 R404 L408	Q245-Y406 PolarHBondContact NE2-OH 2.98Å; L359-Y406 HydrophobicContact CB-CD1 4.36Å; L359-Y406 HydrophobicContact CB-CG 4.37Å; L359-Y406 HydrophobicContact CD1-CD1 3.93Å; L359-Y406 HydrophobicContact CD1-CD2 3.91Å; L359-Y406 HydrophobicContact CD1-CE1 3.67Å; L359-Y406 HydrophobicContact CD1-CE2 3.62Å; L359-Y406 HydrophobicContact CD1-CG 4.06Å; L359-Y406 HydrophobicContact CG-CD1 3.71Å; L359-Y406 HydrophobicContact CG-CD2 4.44Å; L359-Y406 HydrophobicContact CG-CE1 3.76Å; L359-Y406 HydrophobicContact CG-CE2 4.46Å; L359-Y406 HydrophobicContact CG-CG 4.08Å; L359-Y406 CarbonylContact O-C 3.55Å; L359-Y406 VanDerWaalsContact O-CA 3.28Å; L359-Y406 WeakPolarHBondContact O-CA 3.35Å; H360-Y406 AromaticContact CE1-CE1 3.46Å; H360-Y406 VanDerWaalsContact CE1-CE1 3.46Å; H360-Y406 WeakPolarHBondContact CE1-CE1 3.24Å; H360-Y406 AromaticContact ND1-CE1 3.84Å; H360-Y406 AromaticContact NE2-CE1 3.91Å; Y386-Y406 HydrophobicContact CD2-CE2 4.39Å; Y400-Y406 HydrophobicContact CE1-CD2 4.02Å; Y400-Y406 AromaticContact CE1-CE2 3.95Å; Y400-Y406 HydrophobicContact CE1-CE2 3.95Å; Y400-Y406 AromaticContact CZ-CE2 3.79Å; Y400-Y406 WeakPolarHBondContact OH-CE2 3.09Å; I401-Y406 WeakPolarHBondContact CG2-O 3.13Å; I401-Y406 PolarHBondContact O-N 3.27Å; R404-Y406 VanDerWaalsContact C-N 3.25Å; R404-Y406 HydrophobicContact CB-CD1 3.71Å; R404-Y406 HydrophobicContact CB-CD2 3.7Å; R404-Y406 HydrophobicContact CB-CE1 3.6Å; R404-Y406 HydrophobicContact CB-CE2 3.62Å; R404-Y406 HydrophobicContact CB-CG 3.76Å; R404-Y406 HydrophobicContact CG-CD2 4.33Å; R404-Y406 HydrophobicContact CG-CE1 4.36Å; R404-Y406 HydrophobicContact CG-CE2 3.85Å; R404-Y406 PolarHBondContact O-N 3.33Å; Y406-L408 HydrophobicContact CD2-CD2 4.43Å; Y406-L408 HydrophobicContact CG-CD2 4.46Å
407	D	97.7	Very high	96.6	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.252	C	S	.	.			trans	-105.1	107.7	164.6	175.4	58	0	0	0	108.3	L359 K364 H409	L359-D407 PolarHBondContact O-N 3.19Å; K364-D407 WeakPolarHBondContact CE-O 3.34Å; K364-D407 PolarHBondContact NZ-O 3.13Å; K364-D407 IonicContact NZ-OD2 2.66Å; K364-D407 PolarHBondContact NZ-OD2 2.96Å; D407-H409 VanDerWaalsContact CG-NE2 3.35Å; D407-H409 IonicContact OD1-NE2 2.63Å; D407-H409 PolarHBondContact OD1-NE2 3.27Å; D407-H409 IonicContact OD2-CD2 3.36Å; D407-H409 PolarHBondContact OD2-CD2 3.22Å; D407-H409 IonicContact OD2-CE1 2.76Å; D407-H409 IonicContact OD2-NE2 3.89Å; D407-H409 PolarHBondContact OD2-NE2 3.45Å
408	L	98.4	Very high	96.6	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.068	25%	0.252	C	S	.	.			trans	-113.3	133.6	-174.5	-56.1	-173.3	0	0	0	110.8	L359 Y386 R388 F397 I401 Y406	L359-L408 HydrophobicContact CB-CD2 3.87Å; Y386-L408 WeakPolarHBondContact O-CD2 3.49Å; R388-L408 HydrophobicContact CB-CB 4.18Å; R388-L408 VanDerWaalsContact CD-O 3.26Å; R388-L408 WeakPolarHBondContact CD-O 3.49Å; R388-L408 HydrophobicContact CG-CB 3.86Å; F397-L408 HydrophobicContact CE2-CD1 3.99Å; F397-L408 HydrophobicContact CZ-CD1 3.61Å; I401-L408 HydrophobicContact CD1-CD1 3.88Å; I401-L408 HydrophobicContact CG1-CD1 3.71Å; I401-L408 HydrophobicContact CG1-CG 4.37Å; Y406-L408 HydrophobicContact CD2-CD2 4.43Å; Y406-L408 HydrophobicContact CG-CD2 4.46Å
409	H	98.5	Very high	96.7	Very high	54 Å²	54	52.6 Å²	52.6	25%	0.25	26%	0.256	C	S	.	.			trans	-119.5	162.6	175.4	-63.6	-96	0	0	0	110	C387 R388 D407 M417	C387-H409 CarbonylContact C-O 3.58Å; C387-H409 VanDerWaalsContact CA-O 3.27Å; C387-H409 WeakPolarHBondContact CA-O 3.22Å; C387-H409 VanDerWaalsContact CB-O 3.23Å; C387-H409 WeakPolarHBondContact CB-O 3.45Å; R388-H409 PolarHBondContact N-O 3.06Å; D407-H409 VanDerWaalsContact CG-NE2 3.35Å; D407-H409 IonicContact OD1-NE2 2.63Å; D407-H409 PolarHBondContact OD1-NE2 3.27Å; D407-H409 IonicContact OD2-CD2 3.36Å; D407-H409 PolarHBondContact OD2-CD2 3.22Å; D407-H409 IonicContact OD2-CE1 2.76Å; D407-H409 IonicContact OD2-NE2 3.89Å; D407-H409 PolarHBondContact OD2-NE2 3.45Å; H409-M417 HydrophobicContact CB-CE 4.08Å
410	D	98.5	Very high	96.8	Very high	44 Å²	44	53.2 Å²	53.2	24%	0.235	26%	0.263	C	S	.	.			trans	-72.6	155.8	166.6	73	84.5	0	0	0	111.3	R388 A390 Q412 A413 Y414	R388-D410 WeakPolarHBondContact O-CA 3.43Å; R388-D410 WeakPolarHBondContact O-CB 3.42Å; A390-D410 HydrophobicContact CB-CB 4.28Å; D410-Q412 PolarHBondContact O-N 3.21Å; D410-Q412 WeakPolarHBondContact OD1-CA 3.47Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.31Å; D410-Q412 PolarHBondContact OD1-N 3.36Å; D410-A413 PolarHBondContact O-N 3.42Å; D410-A413 PolarHBondContact OD1-N 3.4Å; D410-A413 VanDerWaalsContact OD2-CB 3.24Å; D410-A413 WeakPolarHBondContact OD2-CB 3.45Å; D410-Y414 WeakPolarHBondContact O-CB 3.35Å; D410-Y414 PolarHBondContact O-N 3.1Å
411	V	98.7	Very high	97	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-35	-174.4	177.8	0	0	0	0	111.6	C387 G415 A428 D430 F486	C387-V411 HydrophobicContact CB-CG2 3.93Å; V411-G415 PolarHBondContact O-N 2.7Å; V411-A428 HydrophobicContact CG1-CB 4.05Å; V411-D430 HydrophobicContact CG2-CB 4.25Å; V411-F486 HydrophobicContact CG1-CE1 3.83Å; V411-F486 HydrophobicContact CG1-CZ 4.14Å; V411-F486 WeakPolarHBondContact O-CE1 3.42Å
412	Q	98.5	Very high	97.1	Very high	161 Å²	161	52.7 Å²	52.7	75%	0.752	27%	0.272	S	S	*	.	H	α-helix	trans	-72.5	-46.1	-179.6	-175.7	179.8	-1.3	0	0	111.3	D410 Y414 G415 Q416	D410-Q412 PolarHBondContact O-N 3.21Å; D410-Q412 WeakPolarHBondContact OD1-CA 3.47Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.31Å; D410-Q412 PolarHBondContact OD1-N 3.36Å; Q412-Y414 VanDerWaalsContact C-N 3.3Å; Q412-Y414 PolarHBondContact O-N 3.34Å; Q412-G415 PolarHBondContact O-N 3.28Å; Q412-Q416 PolarHBondContact O-N 2.79Å
413	A	98.5	Very high	97.3	Very high	33 Å²	33	45.7 Å²	45.7	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-40.6	175.7	0	0	0	0	0	111.6	D410 Q416 M417	D410-A413 PolarHBondContact O-N 3.42Å; D410-A413 PolarHBondContact OD1-N 3.4Å; D410-A413 VanDerWaalsContact OD2-CB 3.24Å; D410-A413 WeakPolarHBondContact OD2-CB 3.45Å; A413-Q416 WeakPolarHBondContact O-CB 3.25Å; A413-Q416 PolarHBondContact O-N 3.29Å; A413-Q416 VanDerWaalsContact O-N 3.13Å; A413-M417 WeakPolarHBondContact O-CG 3.29Å; A413-M417 PolarHBondContact O-N 3.32Å
414	Y	98.7	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-49.1	175.1	-160.5	-58	0	0	0	111.6	I358 K364 F368 D385 D410 Q412 Q416 M417 L418 F486	I358-Y414 WeakPolarHBondContact CB-OH 3.47Å; I358-Y414 WeakPolarHBondContact CG2-OH 3.23Å; K364-Y414 HydrophobicContact CD-CD2 4.36Å; K364-Y414 HydrophobicContact CD-CE2 3.87Å; F368-Y414 HydrophobicContact CE1-CE1 4.3Å; F368-Y414 HydrophobicContact CE2-CD1 4.24Å; F368-Y414 AromaticContact CE2-CE1 3.83Å; F368-Y414 HydrophobicContact CE2-CE1 3.83Å; F368-Y414 HydrophobicContact CZ-CD1 4.18Å; F368-Y414 AromaticContact CZ-CE1 3.34Å; F368-Y414 HydrophobicContact CZ-CE1 3.34Å; F368-Y414 AromaticContact CZ-CZ 3.56Å; F368-Y414 WeakPolarHBondContact CZ-OH 3.33Å; D385-Y414 HydrophobicContact CB-CE2 3.99Å; D385-Y414 WeakPolarHBondContact OD2-CE2 3.49Å; D385-Y414 PolarHBondContact OD2-OH 2.79Å; D410-Y414 WeakPolarHBondContact O-CB 3.35Å; D410-Y414 PolarHBondContact O-N 3.1Å; Q412-Y414 VanDerWaalsContact C-N 3.3Å; Q412-Y414 PolarHBondContact O-N 3.34Å; Y414-Q416 VanDerWaalsContact C-N 3.26Å; Y414-Q416 PolarHBondContact O-N 2.93Å; Y414-M417 HydrophobicContact CD2-CE 4.43Å; Y414-M417 HydrophobicContact CG-CE 4.28Å; Y414-M417 WeakPolarHBondContact O-CB 3.39Å; Y414-M417 PolarHBondContact O-N 3.48Å; Y414-L418 PolarHBondContact O-N 2.97Å; Y414-F486 AromaticContact CD1-CD1 3.78Å; Y414-F486 HydrophobicContact CD1-CD1 3.78Å; Y414-F486 AromaticContact CD1-CD2 3.75Å; Y414-F486 HydrophobicContact CD1-CD2 3.75Å; Y414-F486 AromaticContact CD1-CE1 3.67Å; Y414-F486 HydrophobicContact CD1-CE1 3.67Å; Y414-F486 AromaticContact CD1-CE2 3.63Å; Y414-F486 HydrophobicContact CD1-CE2 3.63Å; Y414-F486 AromaticContact CD1-CG 3.82Å; Y414-F486 HydrophobicContact CD1-CG 3.82Å; Y414-F486 AromaticContact CD1-CZ 3.59Å; Y414-F486 HydrophobicContact CD1-CZ 3.59Å; Y414-F486 AromaticContact CD2-CE2 3.98Å; Y414-F486 HydrophobicContact CD2-CE2 3.98Å; Y414-F486 AromaticContact CD2-CZ 3.92Å; Y414-F486 HydrophobicContact CD2-CZ 3.92Å; Y414-F486 HydrophobicContact CE1-CD1 4.45Å; Y414-F486 AromaticContact CE1-CD2 3.71Å; Y414-F486 HydrophobicContact CE1-CD2 3.71Å; Y414-F486 AromaticContact CE1-CE2 3.84Å; Y414-F486 HydrophobicContact CE1-CE2 3.84Å; Y414-F486 HydrophobicContact CE1-CG 4.03Å; Y414-F486 HydrophobicContact CE1-CZ 4.28Å; Y414-F486 HydrophobicContact CE2-CE2 4.17Å; Y414-F486 HydrophobicContact CG-CD1 4.33Å; Y414-F486 HydrophobicContact CG-CD2 4.33Å; Y414-F486 AromaticContact CG-CE1 3.74Å; Y414-F486 HydrophobicContact CG-CE1 3.74Å; Y414-F486 AromaticContact CG-CE2 3.73Å; Y414-F486 HydrophobicContact CG-CE2 3.73Å; Y414-F486 AromaticContact CG-CZ 3.4Å; Y414-F486 HydrophobicContact CG-CZ 3.4Å
415	G	98.8	Very high	98.1	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-35.7	174	0	0	0	0	0	113	V411 Q412 L418 K419	V411-G415 PolarHBondContact O-N 2.7Å; Q412-G415 PolarHBondContact O-N 3.28Å; G415-L418 PolarHBondContact O-N 2.78Å; G415-K419 PolarHBondContact O-N 3.37Å
416	Q	98.7	Very high	98.4	Very high	84 Å²	84	45 Å²	45	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-38.8	176.2	-170.2	58.7	46.8	0	0	112.2	Q412 A413 Y414 L418 K419 D420	Q412-Q416 PolarHBondContact O-N 2.79Å; A413-Q416 WeakPolarHBondContact O-CB 3.25Å; A413-Q416 PolarHBondContact O-N 3.29Å; A413-Q416 VanDerWaalsContact O-N 3.13Å; Y414-Q416 VanDerWaalsContact C-N 3.26Å; Y414-Q416 PolarHBondContact O-N 2.93Å; Q416-L418 VanDerWaalsContact C-N 3.25Å; Q416-L418 PolarHBondContact O-N 3.03Å; Q416-K419 WeakPolarHBondContact O-CB 3.38Å; Q416-K419 PolarHBondContact O-N 2.89Å; Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 VanDerWaalsContact O-CG 3.23Å; Q416-D420 PolarHBondContact O-N 3.3Å
417	M	98.8	Very high	98.5	Very high	22 Å²	22	47.8 Å²	47.8	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-34.8	175.8	-69	-171.5	-79.7	0	0	112.7	K364 P365 F368 H409 A413 Y414 A421	K364-M417 HydrophobicContact CB-CE 4.29Å; K364-M417 HydrophobicContact CB-SD 4.1Å; K364-M417 HydrophobicContact CD-CE 4Å; P365-M417 HydrophobicContact CG-CG 4.27Å; P365-M417 HydrophobicContact CG-SD 3.73Å; F368-M417 HydrophobicContact CD2-CB 3.84Å; F368-M417 HydrophobicContact CE2-CB 3.81Å; H409-M417 HydrophobicContact CB-CE 4.08Å; A413-M417 WeakPolarHBondContact O-CG 3.29Å; A413-M417 PolarHBondContact O-N 3.32Å; Y414-M417 HydrophobicContact CD2-CE 4.43Å; Y414-M417 HydrophobicContact CG-CE 4.28Å; Y414-M417 WeakPolarHBondContact O-CB 3.39Å; Y414-M417 PolarHBondContact O-N 3.48Å; M417-A421 WeakPolarHBondContact O-CB 3.41Å; M417-A421 PolarHBondContact O-N 2.88Å; M417-A421 VanDerWaalsContact O-N 3.1Å
418	L	98.8	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-43.7	172.8	-74.2	166.4	0	0	0	111.7	F368 V381 I383 Y414 G415 Q416 D420 A421 G422 F423 V426 F486	F368-L418 HydrophobicContact CB-CD2 4.3Å; F368-L418 HydrophobicContact CD1-CD2 4.08Å; F368-L418 HydrophobicContact CD2-CD2 3.9Å; F368-L418 HydrophobicContact CD2-CG 4.08Å; F368-L418 HydrophobicContact CE1-CD2 4.46Å; F368-L418 HydrophobicContact CE2-CD2 4.28Å; F368-L418 HydrophobicContact CE2-CG 4.19Å; F368-L418 HydrophobicContact CG-CD2 3.83Å; V381-L418 HydrophobicContact CG1-CD2 4.39Å; I383-L418 HydrophobicContact CD1-CD2 4.38Å; Y414-L418 PolarHBondContact O-N 2.97Å; G415-L418 PolarHBondContact O-N 2.78Å; Q416-L418 VanDerWaalsContact C-N 3.25Å; Q416-L418 PolarHBondContact O-N 3.03Å; L418-D420 VanDerWaalsContact C-N 3.33Å; L418-D420 PolarHBondContact O-N 3.13Å; L418-A421 PolarHBondContact O-N 3.01Å; L418-G422 PolarHBondContact O-N 3.25Å; L418-F423 HydrophobicContact CB-CD2 4.31Å; L418-F423 HydrophobicContact CD2-CD2 3.83Å; L418-F423 HydrophobicContact CD2-CE2 3.93Å; L418-F423 WeakPolarHBondContact O-CB 3.31Å; L418-F423 WeakPolarHBondContact O-CD2 3.38Å; L418-F423 PolarHBondContact O-N 2.96Å; L418-V426 HydrophobicContact CB-CG1 4.11Å; L418-V426 HydrophobicContact CB-CG2 4.14Å; L418-V426 HydrophobicContact CD1-CG1 4.23Å; L418-F486 HydrophobicContact CD1-CB 3.73Å; L418-F486 HydrophobicContact CD1-CG 4.35Å
419	K	98.7	Very high	98.6	Very high	105 Å²	105	50.7 Å²	50.7	46%	0.457	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-44.7	175.4	-64.8	176.3	-174.2	171.1	0	111.3	G415 Q416 A421 G422 V426	G415-K419 PolarHBondContact O-N 3.37Å; Q416-K419 WeakPolarHBondContact O-CB 3.38Å; Q416-K419 PolarHBondContact O-N 2.89Å; K419-A421 PolarHBondContact O-N 3.38Å; K419-G422 PolarHBondContact O-N 3.43Å; K419-V426 HydrophobicContact CB-CG2 4.45Å; K419-V426 HydrophobicContact CG-CB 3.84Å; K419-V426 HydrophobicContact CG-CG1 4.42Å; K419-V426 HydrophobicContact CG-CG2 3.47Å; K419-V426 VanDerWaalsContact CG-CG2 3.47Å
420	D	98.7	Very high	98.6	Very high	119 Å²	119	52.2 Å²	52.2	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-66.4	-26.3	-179.5	-64.2	-13.9	0	0	0	112.4	Q416 L418 G422	Q416-D420 PolarHBondContact NE2-OD1 3.1Å; Q416-D420 VanDerWaalsContact O-CG 3.23Å; Q416-D420 PolarHBondContact O-N 3.3Å; L418-D420 VanDerWaalsContact C-N 3.33Å; L418-D420 PolarHBondContact O-N 3.13Å; D420-G422 PolarHBondContact O-N 3.14Å
421	A	98.6	Very high	98.6	Very high	14 Å²	14	51.9 Å²	51.9	12%	0.116	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.6	172.4	0	0	0	0	0	113.8	F368 R369 M417 L418 K419 F423	F368-A421 HydrophobicContact CB-CB 3.61Å; R369-A421 HydrophobicContact CG-CB 4.15Å; M417-A421 WeakPolarHBondContact O-CB 3.41Å; M417-A421 PolarHBondContact O-N 2.88Å; M417-A421 VanDerWaalsContact O-N 3.1Å; L418-A421 PolarHBondContact O-N 3.01Å; K419-A421 PolarHBondContact O-N 3.38Å; A421-F423 HydrophobicContact CB-CD2 4.17Å; A421-F423 HydrophobicContact CB-CE2 4.34Å
422	G	98.5	Very high	98.6	Very high	33 Å²	33	51.5 Å²	51.5	34%	0.34	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.5	1.7	176	0	0	0	0	0	115.2	F372 L418 K419 D420	F372-G422 VanDerWaalsContact CE2-C 3.4Å; F372-G422 WeakPolarHBondContact CE2-O 3.1Å; L418-G422 PolarHBondContact O-N 3.25Å; K419-G422 PolarHBondContact O-N 3.43Å; D420-G422 PolarHBondContact O-N 3.14Å
423	F	98.8	Very high	98.6	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	28%	0.276	C	S	.	.			trans	-73.2	144.6	-179.5	-69.7	-81.3	0	0	0	113	F368 F371 F372 L375 V381 L418 A421 V426 A488	F368-F423 HydrophobicContact CB-CE2 4.49Å; F368-F423 WeakPolarHBondContact O-CE2 3.49Å; F371-F423 HydrophobicContact CB-CE2 4.42Å; F371-F423 HydrophobicContact CB-CZ 3.96Å; F372-F423 HydrophobicContact CB-CE2 3.99Å; F372-F423 HydrophobicContact CB-CZ 3.95Å; F372-F423 HydrophobicContact CD2-CD1 4.02Å; F372-F423 HydrophobicContact CD2-CD2 4.3Å; F372-F423 HydrophobicContact CD2-CE1 4.09Å; F372-F423 HydrophobicContact CD2-CE2 4.37Å; F372-F423 HydrophobicContact CD2-CG 4.13Å; F372-F423 HydrophobicContact CD2-CZ 4.27Å; L375-F423 HydrophobicContact CD2-CE1 3.79Å; V381-F423 HydrophobicContact CB-CE1 4.06Å; V381-F423 HydrophobicContact CB-CZ 4.28Å; V381-F423 HydrophobicContact CG1-CD1 3.76Å; V381-F423 HydrophobicContact CG1-CE1 3.55Å; V381-F423 HydrophobicContact CG1-CE2 4.41Å; V381-F423 HydrophobicContact CG1-CG 4.3Å; V381-F423 HydrophobicContact CG1-CZ 3.9Å; L418-F423 HydrophobicContact CB-CD2 4.31Å; L418-F423 HydrophobicContact CD2-CD2 3.83Å; L418-F423 HydrophobicContact CD2-CE2 3.93Å; L418-F423 WeakPolarHBondContact O-CB 3.31Å; L418-F423 WeakPolarHBondContact O-CD2 3.38Å; L418-F423 PolarHBondContact O-N 2.96Å; A421-F423 HydrophobicContact CB-CD2 4.17Å; A421-F423 HydrophobicContact CB-CE2 4.34Å; F423-V426 HydrophobicContact CB-CG2 4.07Å; F423-A488 HydrophobicContact CB-CB 3.69Å; F423-A488 HydrophobicContact CD1-CB 4.2Å; F423-A488 HydrophobicContact CG-CB 4.12Å
424	D	98.4	Very high	98.6	Very high	62 Å²	62	50 Å²	50	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	162.7	177.2	-61.9	-78	0	0	0	111.8	V426 D489 K491	D424-V426 PolarHBondContact O-N 3.16Å; D424-D489 PolarHBondContact N-O 2.63Å; D424-D489 PolarHBondContact O-N 2.65Å; D424-K491 HydrophobicContact CB-CD 3.77Å; D424-K491 HydrophobicContact CB-CG 3.93Å; D424-K491 VanDerWaalsContact OD2-CB 3.32Å; D424-K491 WeakPolarHBondContact OD2-CB 3.25Å; D424-K491 PolarHBondContact OD2-N 2.75Å
425	D	97.8	Very high	98.6	Very high	100 Å²	100	50 Å²	50	54%	0.535	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.1	35.3	174.1	-60.9	-10	0	0	0	114.6	I427 K491	D425-I427 PolarHBondContact O-N 2.99Å; D425-I427 VanDerWaalsContact O-N 3.14Å; D425-K491 IonicContact OD1-NZ 3.39Å; D425-K491 PolarHBondContact OD1-NZ 2.95Å; D425-K491 WeakPolarHBondContact OD2-CE 3.25Å; D425-K491 IonicContact OD2-NZ 2.65Å; D425-K491 PolarHBondContact OD2-NZ 2.94Å
426	V	98.7	Very high	98.6	Very high	24 Å²	24	50.9 Å²	50.9	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	117	-175.5	-176.9	0	0	0	0	111.7	L418 K419 F423 D424 I487 A488	L418-V426 HydrophobicContact CB-CG1 4.11Å; L418-V426 HydrophobicContact CB-CG2 4.14Å; L418-V426 HydrophobicContact CD1-CG1 4.23Å; K419-V426 HydrophobicContact CB-CG2 4.45Å; K419-V426 HydrophobicContact CG-CB 3.84Å; K419-V426 HydrophobicContact CG-CG1 4.42Å; K419-V426 HydrophobicContact CG-CG2 3.47Å; K419-V426 VanDerWaalsContact CG-CG2 3.47Å; F423-V426 HydrophobicContact CB-CG2 4.07Å; D424-V426 PolarHBondContact O-N 3.16Å; V426-I487 WeakPolarHBondContact CA-O 3.42Å; V426-A488 HydrophobicContact CB-CB 4.27Å; V426-A488 HydrophobicContact CG1-CB 4.48Å; V426-A488 HydrophobicContact CG2-CB 3.71Å
427	I	98.7	Very high	98.6	Very high	76 Å²	76	52.1 Å²	52.1	39%	0.39	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	169	-62.4	170.8	0	0	0	108	D425 E429 F486 I487	D425-I427 PolarHBondContact O-N 2.99Å; D425-I427 VanDerWaalsContact O-N 3.14Å; I427-E429 HydrophobicContact CG2-CG 3.73Å; I427-F486 VanDerWaalsContact O-CA 3.26Å; I427-F486 WeakPolarHBondContact O-CA 3.12Å; I427-I487 HydrophobicContact CB-CB 4.31Å; I427-I487 PolarHBondContact N-O 3.05Å; I427-I487 PolarHBondContact O-N 3.14Å
428	A	98.8	Very high	98.5	Very high	44 Å²	44	51.1 Å²	51.1	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	97.5	174.5	0	0	0	0	0	108.8	V411 F486	V411-A428 HydrophobicContact CG1-CB 4.05Å; A428-F486 HydrophobicContact CB-CD1 3.72Å; A428-F486 HydrophobicContact CB-CE1 3.85Å
429	E	98.7	Very high	98.5	Very high	64 Å²	64	51.1 Å²	51.1	30%	0.299	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.2	-176.8	-70.6	174.9	-170	0	0	110.3	I427 R431 G484 L485	I427-E429 HydrophobicContact CG2-CG 3.73Å; E429-R431 HydrophobicContact CB-CG 4.17Å; E429-R431 PolarHBondContact O-N 2.75Å; E429-R431 IonicContact OE2-CZ 2.71Å; E429-R431 IonicContact OE2-NE 2.93Å; E429-R431 PolarHBondContact OE2-NE 2.91Å; E429-R431 IonicContact OE2-NH2 2.67Å; E429-R431 PolarHBondContact OE2-NH2 3.31Å; E429-G484 WeakPolarHBondContact O-CA 3.3Å; E429-L485 HydrophobicContact CB-CB 4.34Å; E429-L485 PolarHBondContact N-O 2.8Å; E429-L485 PolarHBondContact O-N 3.2Å
430	D	98.6	Very high	98.5	Very high	86 Å²	86	52.7 Å²	52.7	46%	0.46	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	109.5	164.9	-174.4	-13.7	0	0	0	108.7	V411 T432	V411-D430 HydrophobicContact CG2-CB 4.25Å; D430-T432 WeakPolarHBondContact OD1-CB 3.45Å; D430-T432 PolarHBondContact OD1-N 3.19Å; D430-T432 PolarHBondContact OD1-OG1 2.8Å
431	R	98.6	Very high	98.5	Very high	36 Å²	36	51.5 Å²	51.5	14%	0.136	27%	0.265	C	S	.	.			trans	-105.4	22.9	179.6	-68.2	-167.6	165.1	-118.4	2	112.6	E273 E429 D433 Q434 F435 W483 L485	E273-R431 IonicContact OE1-CZ 3.53Å; E273-R431 IonicContact OE1-NH1 3.63Å; E273-R431 PolarHBondContact OE1-NH1 3.25Å; E273-R431 IonicContact OE1-NH2 2.75Å; E273-R431 PolarHBondContact OE1-NH2 3.34Å; E273-R431 IonicContact OE2-NH1 2.83Å; E429-R431 HydrophobicContact CB-CG 4.17Å; E429-R431 PolarHBondContact O-N 2.75Å; E429-R431 IonicContact OE2-CZ 2.71Å; E429-R431 IonicContact OE2-NE 2.93Å; E429-R431 PolarHBondContact OE2-NE 2.91Å; E429-R431 IonicContact OE2-NH2 2.67Å; E429-R431 PolarHBondContact OE2-NH2 3.31Å; R431-D433 VanDerWaalsContact C-N 3.25Å; R431-D433 PolarHBondContact O-N 3.17Å; R431-Q434 HydrophobicContact CB-CB 4.44Å; R431-Q434 WeakPolarHBondContact O-CB 3.26Å; R431-Q434 PolarHBondContact O-N 2.98Å; R431-F435 PolarHBondContact O-N 3.38Å; R431-W483 CarbonylContact C-O 3.49Å; R431-W483 WeakPolarHBondContact CA-O 3.46Å; R431-W483 HydrophobicContact CB-CD2 4.49Å; R431-W483 HydrophobicContact CB-CE3 3.61Å; R431-W483 HydrophobicContact CB-CZ3 4.02Å; R431-W483 PolarHBondContact N-O 2.96Å; R431-L485 HydrophobicContact CG-CB 4.24Å; R431-L485 VanDerWaalsContact NE-CD2 3.27Å
432	T	98.6	Very high	98.4	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-35.3	-178.4	-56	0	0	0	0	112.7	D430 Q434 F435 V436 T476 K482 W483	D430-T432 WeakPolarHBondContact OD1-CB 3.45Å; D430-T432 PolarHBondContact OD1-N 3.19Å; D430-T432 PolarHBondContact OD1-OG1 2.8Å; T432-Q434 VanDerWaalsContact C-N 3.35Å; T432-Q434 PolarHBondContact O-N 3.27Å; T432-F435 WeakPolarHBondContact O-CB 3.43Å; T432-F435 PolarHBondContact O-N 3Å; T432-V436 WeakPolarHBondContact O-CG2 3.42Å; T432-V436 PolarHBondContact O-N 3.42Å; T432-T476 HydrophobicContact CG2-CG2 3.97Å; T432-K482 HydrophobicContact CG2-CD 4.13Å; T432-K482 VanDerWaalsContact OG1-CA 3.25Å; T432-K482 WeakPolarHBondContact OG1-CA 3.41Å; T432-K482 VanDerWaalsContact OG1-CD 3.25Å; T432-K482 WeakPolarHBondContact OG1-CD 3.32Å; T432-W483 PolarHBondContact OG1-N 2.86Å; T432-W483 VanDerWaalsContact OG1-N 3.12Å
433	D	98.3	Very high	98.4	Very high	132 Å²	132	50.6 Å²	50.6	71%	0.706	25%	0.25	S	S	*	.	H	α-helix	trans	-63.5	-40.1	175.5	-74.9	-14.1	0	0	0	112.2	R431 V436 Q437	R431-D433 VanDerWaalsContact C-N 3.25Å; R431-D433 PolarHBondContact O-N 3.17Å; D433-V436 PolarHBondContact O-N 2.96Å; D433-Q437 WeakPolarHBondContact O-CG 3.29Å; D433-Q437 PolarHBondContact O-N 3.02Å; D433-Q437 VanDerWaalsContact O-N 3.15Å
434	Q	98.5	Very high	98.4	Very high	31 Å²	31	56 Å²	56	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-41.4	173.1	-175.5	-180	17.2	0	0	110.7	E273 R431 T432 V436 Q437 V438 W483	E273-Q434 PolarHBondContact OE2-NE2 3.04Å; R431-Q434 HydrophobicContact CB-CB 4.44Å; R431-Q434 WeakPolarHBondContact O-CB 3.26Å; R431-Q434 PolarHBondContact O-N 2.98Å; T432-Q434 VanDerWaalsContact C-N 3.35Å; T432-Q434 PolarHBondContact O-N 3.27Å; Q434-V436 VanDerWaalsContact C-N 3.35Å; Q434-V436 PolarHBondContact O-N 2.9Å; Q434-Q437 WeakPolarHBondContact O-CB 3.03Å; Q434-Q437 PolarHBondContact O-N 2.94Å; Q434-Q437 VanDerWaalsContact O-N 3.17Å; Q434-V438 HydrophobicContact CG-CG2 4.44Å; Q434-V438 WeakPolarHBondContact O-CG2 3.48Å; Q434-V438 PolarHBondContact O-N 3.31Å; Q434-W483 HydrophobicContact CB-CZ3 4.37Å; Q434-W483 HydrophobicContact CG-CZ3 4.19Å
435	F	98.5	Very high	98.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-45.8	176.2	-176.8	-132.1	0	0	0	111.7	T265 Y386 R431 T432 Q437 V438 L439 K472 T476 W483	T265-F435 HydrophobicContact CG2-CD2 3.5Å; T265-F435 VanDerWaalsContact CG2-CD2 3.5Å; T265-F435 HydrophobicContact CG2-CE2 3.91Å; Y386-F435 AromaticContact CE1-CE2 3.99Å; Y386-F435 HydrophobicContact CE1-CE2 3.99Å; Y386-F435 AromaticContact CE1-CZ 3.88Å; Y386-F435 HydrophobicContact CE1-CZ 3.88Å; Y386-F435 HydrophobicContact CE2-CZ 4.45Å; Y386-F435 AromaticContact CZ-CZ 3.74Å; R431-F435 PolarHBondContact O-N 3.38Å; T432-F435 WeakPolarHBondContact O-CB 3.43Å; T432-F435 PolarHBondContact O-N 3Å; F435-Q437 VanDerWaalsContact C-N 3.33Å; F435-Q437 PolarHBondContact O-N 2.84Å; F435-V438 PolarHBondContact O-N 2.95Å; F435-L439 HydrophobicContact CD1-CD1 3.87Å; F435-L439 HydrophobicContact CD2-CD1 4.25Å; F435-L439 HydrophobicContact CD2-CG 4.07Å; F435-L439 HydrophobicContact CE1-CD1 3.62Å; F435-L439 HydrophobicContact CE1-CG 4.37Å; F435-L439 HydrophobicContact CE2-CD1 4.04Å; F435-L439 HydrophobicContact CE2-CD2 3.9Å; F435-L439 HydrophobicContact CE2-CG 3.88Å; F435-L439 HydrophobicContact CG-CD1 4.19Å; F435-L439 HydrophobicContact CG-CG 4.42Å; F435-L439 HydrophobicContact CZ-CD1 3.73Å; F435-L439 HydrophobicContact CZ-CD2 4.01Å; F435-L439 HydrophobicContact CZ-CG 4.05Å; F435-L439 WeakPolarHBondContact O-CB 3.5Å; F435-L439 VanDerWaalsContact O-CG 3.28Å; F435-L439 WeakPolarHBondContact O-CG 3.38Å; F435-L439 PolarHBondContact O-N 3.17Å; F435-K472 HydrophobicContact CZ-CD 4.17Å; F435-T476 HydrophobicContact CD1-CG2 3.7Å; F435-T476 HydrophobicContact CE1-CG2 3.9Å; F435-W483 HydrophobicContact CB-CB 3.71Å; F435-W483 HydrophobicContact CB-CD2 4.15Å; F435-W483 HydrophobicContact CB-CE3 3.83Å; F435-W483 HydrophobicContact CB-CG 4.15Å; F435-W483 HydrophobicContact CD1-CB 4.05Å; F435-W483 HydrophobicContact CD2-CB 4.38Å; F435-W483 HydrophobicContact CD2-CD2 4.39Å; F435-W483 HydrophobicContact CD2-CG 4.29Å; F435-W483 HydrophobicContact CG-CB 3.81Å; F435-W483 HydrophobicContact CG-CD2 4.47Å; F435-W483 HydrophobicContact CG-CG 4.19Å
436	V	98.5	Very high	98.3	Very high	21 Å²	21	52.4 Å²	52.4	13%	0.127	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-43.7	175.2	170.8	0	0	0	0	111.4	T432 D433 Q434 R440 L473 T476	T432-V436 WeakPolarHBondContact O-CG2 3.42Å; T432-V436 PolarHBondContact O-N 3.42Å; D433-V436 PolarHBondContact O-N 2.96Å; Q434-V436 VanDerWaalsContact C-N 3.35Å; Q434-V436 PolarHBondContact O-N 2.9Å; V436-R440 WeakPolarHBondContact O-CG 3.5Å; V436-R440 PolarHBondContact O-N 3.25Å; V436-L473 HydrophobicContact CG1-CD2 4.08Å; V436-T476 HydrophobicContact CG2-CG2 4.18Å; V436-T476 WeakPolarHBondContact CG2-OG1 3.3Å
437	Q	98.3	Very high	98.3	Very high	109 Å²	109	55.8 Å²	55.8	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177.8	-68.8	173.3	16.5	0	0	112.1	D433 Q434 F435 R441	D433-Q437 WeakPolarHBondContact O-CG 3.29Å; D433-Q437 PolarHBondContact O-N 3.02Å; D433-Q437 VanDerWaalsContact O-N 3.15Å; Q434-Q437 WeakPolarHBondContact O-CB 3.03Å; Q434-Q437 PolarHBondContact O-N 2.94Å; Q434-Q437 VanDerWaalsContact O-N 3.17Å; F435-Q437 VanDerWaalsContact C-N 3.33Å; F435-Q437 PolarHBondContact O-N 2.84Å; Q437-R441 WeakPolarHBondContact O-CG 3.26Å; Q437-R441 PolarHBondContact O-N 2.96Å; Q437-R441 PolarHBondContact O-NH1 2.61Å
438	V	98.3	Very high	98.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-49.6	177.2	168	0	0	0	0	110.7	T265 G266 T270 Q434 F435 R440 R441 E442	T265-V438 HydrophobicContact CG2-CB 4.25Å; T265-V438 HydrophobicContact CG2-CG1 3.77Å; G266-V438 VanDerWaalsContact CA-CG1 3.47Å; G266-V438 VanDerWaalsContact N-CG1 3.34Å; T270-V438 HydrophobicContact CG2-CG2 4.36Å; Q434-V438 HydrophobicContact CG-CG2 4.44Å; Q434-V438 WeakPolarHBondContact O-CG2 3.48Å; Q434-V438 PolarHBondContact O-N 3.31Å; F435-V438 PolarHBondContact O-N 2.95Å; V438-R440 VanDerWaalsContact C-N 3.28Å; V438-R440 PolarHBondContact O-N 2.75Å; V438-R441 PolarHBondContact O-N 3Å; V438-R441 VanDerWaalsContact O-N 3.11Å; V438-E442 VanDerWaalsContact CG1-CD 3.5Å; V438-E442 HydrophobicContact CG1-CG 4.21Å; V438-E442 WeakPolarHBondContact CG1-OE1 3.42Å; V438-E442 WeakPolarHBondContact O-CB 3.35Å; V438-E442 WeakPolarHBondContact O-CG 3.38Å; V438-E442 PolarHBondContact O-N 3.42Å
439	L	98.2	Very high	98.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-42	177.8	-73.1	173.7	0	0	0	112.1	F435 L443 W469 K472 L473	F435-L439 HydrophobicContact CD1-CD1 3.87Å; F435-L439 HydrophobicContact CD2-CD1 4.25Å; F435-L439 HydrophobicContact CD2-CG 4.07Å; F435-L439 HydrophobicContact CE1-CD1 3.62Å; F435-L439 HydrophobicContact CE1-CG 4.37Å; F435-L439 HydrophobicContact CE2-CD1 4.04Å; F435-L439 HydrophobicContact CE2-CD2 3.9Å; F435-L439 HydrophobicContact CE2-CG 3.88Å; F435-L439 HydrophobicContact CG-CD1 4.19Å; F435-L439 HydrophobicContact CG-CG 4.42Å; F435-L439 HydrophobicContact CZ-CD1 3.73Å; F435-L439 HydrophobicContact CZ-CD2 4.01Å; F435-L439 HydrophobicContact CZ-CG 4.05Å; F435-L439 WeakPolarHBondContact O-CB 3.5Å; F435-L439 VanDerWaalsContact O-CG 3.28Å; F435-L439 WeakPolarHBondContact O-CG 3.38Å; F435-L439 PolarHBondContact O-N 3.17Å; L439-L443 VanDerWaalsContact O-CB 3.25Å; L439-L443 WeakPolarHBondContact O-CB 3.47Å; L439-L443 PolarHBondContact O-N 3.2Å; L439-W469 HydrophobicContact CD2-CG 4.21Å; L439-K472 HydrophobicContact CD1-CB 3.73Å; L439-K472 HydrophobicContact CD2-CB 4.25Å; L439-K472 HydrophobicContact CD2-CD 3.92Å; L439-L473 HydrophobicContact CB-CD2 3.73Å; L439-L473 HydrophobicContact CB-CG 4.08Å; L439-L473 HydrophobicContact CD1-CD2 4.13Å; L439-L473 HydrophobicContact CD1-CG 4.36Å
440	R	98.2	Very high	98.1	Very high	137 Å²	137	62.5 Å²	62.5	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-47.2	176.1	-74.3	178.4	-178.2	153.1	2.9	111.8	V436 V438 E442 L443 E444 L473	V436-R440 WeakPolarHBondContact O-CG 3.5Å; V436-R440 PolarHBondContact O-N 3.25Å; V438-R440 VanDerWaalsContact C-N 3.28Å; V438-R440 PolarHBondContact O-N 2.75Å; R440-E442 PolarHBondContact O-N 3.48Å; R440-L443 PolarHBondContact O-N 2.95Å; R440-E444 VanDerWaalsContact O-CB 3.32Å; R440-E444 WeakPolarHBondContact O-CB 3.44Å; R440-E444 VanDerWaalsContact O-CG 3.23Å; R440-E444 WeakPolarHBondContact O-CG 3.34Å; R440-E444 PolarHBondContact O-N 3.36Å; R440-L473 HydrophobicContact CG-CD1 4.15Å; R440-L473 HydrophobicContact CG-CD2 3.83Å
441	R	98	Very high	98.1	Very high	95 Å²	95	65.5 Å²	65.5	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-43.8	178.7	-70.2	-166.9	-54.9	-89.5	18.7	112.4	E269 Q437 V438 K445	E269-R441 IonicContact OE1-NH2 2.78Å; E269-R441 PolarHBondContact OE1-NH2 3.34Å; E269-R441 IonicContact OE2-CZ 2.6Å; E269-R441 IonicContact OE2-NE 3.6Å; E269-R441 IonicContact OE2-NH2 3.8Å; E269-R441 PolarHBondContact OE2-NH2 3Å; Q437-R441 WeakPolarHBondContact O-CG 3.26Å; Q437-R441 PolarHBondContact O-N 2.96Å; Q437-R441 PolarHBondContact O-NH1 2.61Å; V438-R441 PolarHBondContact O-N 3Å; V438-R441 VanDerWaalsContact O-N 3.11Å; R441-K445 WeakPolarHBondContact O-CB 3.39Å; R441-K445 PolarHBondContact O-N 3.38Å
442	E	98.1	Very high	98	Very high	13 Å²	13	69.4 Å²	69.4	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177.7	-73.4	170.2	174.7	0	0	111.1	V257 F258 G266 V438 R440 K445 V446 W469	V257-E442 HydrophobicContact CG1-CB 3.85Å; V257-E442 HydrophobicContact CG1-CG 4.36Å; F258-E442 VanDerWaalsContact CD1-OE1 3.26Å; F258-E442 WeakPolarHBondContact CD1-OE1 3.36Å; G266-E442 WeakPolarHBondContact CA-OE1 3.38Å; G266-E442 PolarHBondContact N-OE1 3.4Å; V438-E442 VanDerWaalsContact CG1-CD 3.5Å; V438-E442 HydrophobicContact CG1-CG 4.21Å; V438-E442 WeakPolarHBondContact CG1-OE1 3.42Å; V438-E442 WeakPolarHBondContact O-CB 3.35Å; V438-E442 WeakPolarHBondContact O-CG 3.38Å; V438-E442 PolarHBondContact O-N 3.42Å; R440-E442 PolarHBondContact O-N 3.48Å; E442-K445 PolarHBondContact O-N 2.52Å; E442-V446 WeakPolarHBondContact O-CG2 3.26Å; E442-V446 PolarHBondContact O-N 3.12Å; E442-V446 VanDerWaalsContact O-N 3.1Å; E442-W469 PolarHBondContact OE2-NE1 3.18Å
443	L	98	Very high	98	Very high	14 Å²	14	69.3 Å²	69.3	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-48	177.9	-178.9	58.8	0	0	0	111.9	L439 R440 K445 V446 E447 V466 W469 L473	L439-L443 VanDerWaalsContact O-CB 3.25Å; L439-L443 WeakPolarHBondContact O-CB 3.47Å; L439-L443 PolarHBondContact O-N 3.2Å; R440-L443 PolarHBondContact O-N 2.95Å; L443-K445 VanDerWaalsContact C-N 3.25Å; L443-K445 PolarHBondContact O-N 2.9Å; L443-V446 PolarHBondContact O-N 3.48Å; L443-V446 VanDerWaalsContact O-N 3.14Å; L443-E447 HydrophobicContact CD1-CG 4.13Å; L443-E447 HydrophobicContact CG-CG 4.41Å; L443-E447 WeakPolarHBondContact O-CG 3.31Å; L443-E447 PolarHBondContact O-N 2.8Å; L443-V466 HydrophobicContact CD1-CB 4.26Å; L443-V466 HydrophobicContact CD1-CG1 4.17Å; L443-V466 HydrophobicContact CD1-CG2 4.07Å; L443-W469 HydrophobicContact CB-CB 4.24Å; L443-W469 HydrophobicContact CD1-CB 4.03Å; L443-W469 HydrophobicContact CD2-CB 4.37Å; L443-W469 HydrophobicContact CG-CB 4.45Å; L443-L473 HydrophobicContact CD2-CD1 3.91Å
444	E	98	Very high	97.9	Very high	123 Å²	123	65.1 Å²	65.1	58%	0.575	29%	0.292	S	S	*	.	H	α-helix	trans	-57.3	-39.1	177.4	-77	171.6	-166.6	0	0	111.8	R440 K448	R440-E444 VanDerWaalsContact O-CB 3.32Å; R440-E444 WeakPolarHBondContact O-CB 3.44Å; R440-E444 VanDerWaalsContact O-CG 3.23Å; R440-E444 WeakPolarHBondContact O-CG 3.34Å; R440-E444 PolarHBondContact O-N 3.36Å; E444-K448 VanDerWaalsContact O-CB 3.25Å; E444-K448 WeakPolarHBondContact O-CB 3.23Å; E444-K448 PolarHBondContact O-N 2.97Å
445	K	97.3	Very high	97.9	Very high	83 Å²	83	68.4 Å²	68.4	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-50.5	175.2	-176.3	-172	172.5	-163.5	0	111.2	R441 E442 L443 E447 K448 E449	R441-K445 WeakPolarHBondContact O-CB 3.39Å; R441-K445 PolarHBondContact O-N 3.38Å; E442-K445 PolarHBondContact O-N 2.52Å; L443-K445 VanDerWaalsContact C-N 3.25Å; L443-K445 PolarHBondContact O-N 2.9Å; K445-E447 VanDerWaalsContact C-N 3.34Å; K445-E447 PolarHBondContact O-N 2.85Å; K445-K448 PolarHBondContact O-N 3.3Å; K445-E449 WeakPolarHBondContact CE-OE2 3.06Å; K445-E449 WeakPolarHBondContact O-CB 3.41Å; K445-E449 PolarHBondContact O-N 3.2Å
446	V	97.5	Very high	97.7	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.024	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-42.8	179.5	172.7	0	0	0	0	111.5	V257 E442 L443 E449 K450 F453 Y462 I465 V466	V257-V446 HydrophobicContact CB-CG2 4.3Å; V257-V446 HydrophobicContact CG1-CG2 3.99Å; V257-V446 HydrophobicContact CG2-CG2 3.75Å; E442-V446 WeakPolarHBondContact O-CG2 3.26Å; E442-V446 PolarHBondContact O-N 3.12Å; E442-V446 VanDerWaalsContact O-N 3.1Å; L443-V446 PolarHBondContact O-N 3.48Å; L443-V446 VanDerWaalsContact O-N 3.14Å; V446-E449 CarbonylContact O-C 3.58Å; V446-E449 PolarHBondContact O-N 3.05Å; V446-K450 PolarHBondContact O-N 2.79Å; V446-K450 VanDerWaalsContact O-N 3.13Å; V446-F453 HydrophobicContact CG1-CD2 4.21Å; V446-F453 HydrophobicContact CG1-CE2 4.44Å; V446-Y462 HydrophobicContact CG1-CD2 3.98Å; V446-Y462 HydrophobicContact CG1-CE2 3.83Å; V446-I465 HydrophobicContact CG1-CG2 4.03Å; V446-I465 HydrophobicContact CG2-CG2 4.18Å; V446-V466 HydrophobicContact CG1-CG2 4.2Å
447	E	97.9	Very high	97.6	Very high	94 Å²	94	73.5 Å²	73.5	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-39.3	177.7	-71.3	-179.2	151.4	0	0	112.4	L443 K445 E449 V466	L443-E447 HydrophobicContact CD1-CG 4.13Å; L443-E447 HydrophobicContact CG-CG 4.41Å; L443-E447 WeakPolarHBondContact O-CG 3.31Å; L443-E447 PolarHBondContact O-N 2.8Å; K445-E447 VanDerWaalsContact C-N 3.34Å; K445-E447 PolarHBondContact O-N 2.85Å; E447-E449 VanDerWaalsContact C-N 3.35Å; E447-V466 HydrophobicContact CG-CG2 4.44Å
448	K	98	Very high	97.6	Very high	184 Å²	184	70 Å²	70	80%	0.8	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-34.5	176.4	-174.5	-177.1	176.6	-170.2	0	112.6	E444 K445	E444-K448 VanDerWaalsContact O-CB 3.25Å; E444-K448 WeakPolarHBondContact O-CB 3.23Å; E444-K448 PolarHBondContact O-N 2.97Å; K445-K448 PolarHBondContact O-N 3.3Å
449	E	97	Very high	97.5	Very high	70 Å²	70	75.7 Å²	75.7	33%	0.327	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	20.7	-177.4	-64.9	170	-171.5	0	0	112.4	K445 V446 E447 E451 E452 F453	K445-E449 WeakPolarHBondContact CE-OE2 3.06Å; K445-E449 WeakPolarHBondContact O-CB 3.41Å; K445-E449 PolarHBondContact O-N 3.2Å; V446-E449 CarbonylContact O-C 3.58Å; V446-E449 PolarHBondContact O-N 3.05Å; E447-E449 VanDerWaalsContact C-N 3.35Å; E449-E451 PolarHBondContact O-N 2.92Å; E449-E452 PolarHBondContact O-N 2.86Å; E449-E452 VanDerWaalsContact O-N 3.15Å; E449-F453 PolarHBondContact O-N 2.84Å
450	K	98	Very high	97.4	Very high	71 Å²	71	82.6 Å²	82.6	31%	0.309	39%	0.389	S	S	.	.	H	α-helix	trans	-48.7	-50.5	-173	176	176.6	-174.4	175.5	0	114.3	V446 E452 F453 I454 Y462	V446-K450 PolarHBondContact O-N 2.79Å; V446-K450 VanDerWaalsContact O-N 3.13Å; K450-E452 VanDerWaalsContact C-N 3.34Å; K450-E452 PolarHBondContact O-N 2.87Å; K450-F453 PolarHBondContact O-N 3.44Å; K450-I454 HydrophobicContact CD-CD1 4.35Å; K450-I454 HydrophobicContact CG-CD1 3.8Å; K450-I454 HydrophobicContact CG-CG1 4.39Å; K450-I454 WeakPolarHBondContact O-CG1 3.43Å; K450-I454 PolarHBondContact O-N 3.4Å; K450-Y462 HydrophobicContact CB-CD2 4.4Å; K450-Y462 HydrophobicContact CB-CE2 3.7Å; K450-Y462 HydrophobicContact CD-CD1 4.49Å; K450-Y462 HydrophobicContact CD-CE1 3.8Å; K450-Y462 HydrophobicContact CD-CE2 4.09Å; K450-Y462 HydrophobicContact CG-CD1 4.44Å; K450-Y462 HydrophobicContact CG-CD2 3.99Å; K450-Y462 HydrophobicContact CG-CE1 4.05Å; K450-Y462 HydrophobicContact CG-CE2 3.55Å; K450-Y462 HydrophobicContact CG-CG 4.42Å
451	E	97.4	Very high	97.3	Very high	150 Å²	150	77 Å²	77	70%	0.701	37%	0.37	S	S	*	.	H	α-helix	trans	-64.2	-39.9	-175.6	-62.8	-60.9	144.2	0	0	111.9	E449 S455	E449-E451 PolarHBondContact O-N 2.92Å; E451-S455 WeakPolarHBondContact O-CB 3.26Å; E451-S455 PolarHBondContact O-N 2.99Å
452	E	97.4	Very high	97.4	Very high	118 Å²	118	73.4 Å²	73.4	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-69.3	-40.7	176	-174.3	173.9	175.2	0	0	111.1	E449 K450 S455 D456	E449-E452 PolarHBondContact O-N 2.86Å; E449-E452 VanDerWaalsContact O-N 3.15Å; K450-E452 VanDerWaalsContact C-N 3.34Å; K450-E452 PolarHBondContact O-N 2.87Å; E452-S455 PolarHBondContact O-N 2.86Å; E452-D456 PolarHBondContact O-N 3.31Å
453	F	97.9	Very high	97.3	Very high	4 Å²	4	76.8 Å²	76.8	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-48.7	175.3	-166.3	-73.7	0	0	0	111.8	R253 R256 V257 V446 E449 K450 S455 D456 F457 D461 Y462 I465	R253-F453 HydrophobicContact CB-CZ 4.16Å; R256-F453 HydrophobicContact CB-CE2 4.02Å; R256-F453 HydrophobicContact CG-CD2 3.6Å; R256-F453 HydrophobicContact CG-CE2 3.58Å; V257-F453 HydrophobicContact CG2-CE2 4.17Å; V446-F453 HydrophobicContact CG1-CD2 4.21Å; V446-F453 HydrophobicContact CG1-CE2 4.44Å; E449-F453 PolarHBondContact O-N 2.84Å; K450-F453 PolarHBondContact O-N 3.44Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 3.06Å; F453-D456 PolarHBondContact O-N 3.12Å; F453-F457 HydrophobicContact CD1-CB 4.42Å; F453-F457 AromaticContact CD1-CD2 3.98Å; F453-F457 HydrophobicContact CD1-CD2 3.98Å; F453-F457 HydrophobicContact CD2-CD2 4.37Å; F453-F457 HydrophobicContact CE1-CB 4.15Å; F453-F457 AromaticContact CE1-CD2 3.82Å; F453-F457 HydrophobicContact CE1-CD2 3.82Å; F453-F457 HydrophobicContact CE1-CG 4.21Å; F453-F457 HydrophobicContact CE2-CD2 4.23Å; F453-F457 HydrophobicContact CE2-CE2 4.31Å; F453-F457 HydrophobicContact CG-CD2 4.24Å; F453-F457 AromaticContact CZ-CD2 3.94Å; F453-F457 HydrophobicContact CZ-CD2 3.94Å; F453-F457 HydrophobicContact CZ-CE2 4.34Å; F453-F457 WeakPolarHBondContact O-CD2 3.49Å; F453-F457 PolarHBondContact O-N 2.84Å; F453-D461 HydrophobicContact CE1-CB 4.16Å; F453-Y462 HydrophobicContact CB-CD2 4.46Å; F453-Y462 HydrophobicContact CD1-CD2 4.16Å; F453-Y462 HydrophobicContact CG-CD2 4.37Å; F453-I465 HydrophobicContact CZ-CG1 3.91Å
454	I	97.7	Very high	97.2	Very high	44 Å²	44	79.8 Å²	79.8	23%	0.226	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-36.6	179.7	-69.3	177.6	0	0	0	111	K450 F457 S458 E459 Y462	K450-I454 HydrophobicContact CD-CD1 4.35Å; K450-I454 HydrophobicContact CG-CD1 3.8Å; K450-I454 HydrophobicContact CG-CG1 4.39Å; K450-I454 WeakPolarHBondContact O-CG1 3.43Å; K450-I454 PolarHBondContact O-N 3.4Å; I454-F457 CarbonylContact O-C 3.56Å; I454-S458 PolarHBondContact O-N 3.04Å; I454-E459 HydrophobicContact CD1-CB 4.33Å; I454-E459 HydrophobicContact CD1-CG 4.31Å; I454-E459 HydrophobicContact CG2-CB 4.36Å; I454-Y462 HydrophobicContact CD1-CD1 4.38Å; I454-Y462 HydrophobicContact CD1-CG 4.23Å; I454-Y462 HydrophobicContact CG1-CG 4.09Å
455	S	97.2	Very high	97.2	Very high	100 Å²	100	74.1 Å²	74.1	70%	0.699	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-41.8	176.1	-179.8	0	0	0	0	112.6	E451 E452 F453	E451-S455 WeakPolarHBondContact O-CB 3.26Å; E451-S455 PolarHBondContact O-N 2.99Å; E452-S455 PolarHBondContact O-N 2.86Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 3.06Å
456	D	95.8	Very high	97.2	Very high	81 Å²	81	71.4 Å²	71.4	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-81.8	-24.4	-177.8	-71.7	-13.7	0	0	0	113.3	R256 E452 F453	R256-D456 IonicContact CZ-OD2 3.85Å; R256-D456 IonicContact NH1-OD2 2.77Å; R256-D456 PolarHBondContact NH1-OD2 3.01Å; R256-D456 IonicContact NH2-OD2 3.21Å; R256-D456 PolarHBondContact NH2-OD2 2.99Å; E452-D456 PolarHBondContact O-N 3.31Å; F453-D456 PolarHBondContact O-N 3.12Å
457	F	96	Very high	97.2	Very high	47 Å²	47	73.1 Å²	73.1	21%	0.206	37%	0.373	C	S	.	.	S	Bend	trans	-123.7	-107.3	-179	-58.9	-79.7	0	0	0	110.9	L252 R253 R256 F453 I454 D461	L252-F457 HydrophobicContact CB-CE1 3.85Å; L252-F457 HydrophobicContact CB-CZ 4.33Å; L252-F457 WeakPolarHBondContact O-CZ 3.32Å; R253-F457 HydrophobicContact CB-CD1 3.95Å; R253-F457 HydrophobicContact CB-CE1 3.83Å; R253-F457 HydrophobicContact CB-CG 4.38Å; R253-F457 HydrophobicContact CB-CZ 4.18Å; R256-F457 HydrophobicContact CB-CE2 3.78Å; R256-F457 HydrophobicContact CB-CZ 4Å; R256-F457 HydrophobicContact CG-CE2 3.88Å; F453-F457 HydrophobicContact CD1-CB 4.42Å; F453-F457 AromaticContact CD1-CD2 3.98Å; F453-F457 HydrophobicContact CD1-CD2 3.98Å; F453-F457 HydrophobicContact CD2-CD2 4.37Å; F453-F457 HydrophobicContact CE1-CB 4.15Å; F453-F457 AromaticContact CE1-CD2 3.82Å; F453-F457 HydrophobicContact CE1-CD2 3.82Å; F453-F457 HydrophobicContact CE1-CG 4.21Å; F453-F457 HydrophobicContact CE2-CD2 4.23Å; F453-F457 HydrophobicContact CE2-CE2 4.31Å; F453-F457 HydrophobicContact CG-CD2 4.24Å; F453-F457 AromaticContact CZ-CD2 3.94Å; F453-F457 HydrophobicContact CZ-CD2 3.94Å; F453-F457 HydrophobicContact CZ-CE2 4.34Å; F453-F457 WeakPolarHBondContact O-CD2 3.49Å; F453-F457 PolarHBondContact O-N 2.84Å; I454-F457 CarbonylContact O-C 3.56Å; F457-D461 HydrophobicContact CB-CB 3.92Å
458	S	96.9	Very high	97.1	Very high	36 Å²	36	70.1 Å²	70.1	25%	0.252	37%	0.368	S	S	.	.			trans	-160.7	164.9	177.4	69.3	0	0	0	0	111	I454 E460 D461 Y462	I454-S458 PolarHBondContact O-N 3.04Å; S458-E460 VanDerWaalsContact C-N 3.26Å; S458-E460 PolarHBondContact O-N 3.39Å; S458-D461 PolarHBondContact O-N 2.81Å; S458-D461 WeakPolarHBondContact OG-CB 3.25Å; S458-D461 VanDerWaalsContact OG-CG 3.23Å; S458-D461 PolarHBondContact OG-N 2.99Å; S458-D461 PolarHBondContact OG-OD2 3.07Å; S458-Y462 PolarHBondContact O-N 2.94Å
459	E	97.5	Very high	97.1	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-64.1	-33.2	172.3	-174.9	168.7	-161.5	0	0	111.9	I454 Y462 N463	I454-E459 HydrophobicContact CD1-CB 4.33Å; I454-E459 HydrophobicContact CD1-CG 4.31Å; I454-E459 HydrophobicContact CG2-CB 4.36Å; E459-Y462 PolarHBondContact O-N 2.83Å; E459-N463 VanDerWaalsContact O-CG 3.23Å; E459-N463 PolarHBondContact O-N 2.92Å; E459-N463 PolarHBondContact O-ND2 3.11Å; E459-N463 VanDerWaalsContact O-ND2 3.09Å
460	E	96.8	Very high	97.1	Very high	145 Å²	145	60.7 Å²	60.7	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-63	-48.7	173.7	-175	179.1	171.7	0	0	111.1	S458 Y462 N463 D464	S458-E460 VanDerWaalsContact C-N 3.26Å; S458-E460 PolarHBondContact O-N 3.39Å; E460-Y462 VanDerWaalsContact C-N 3.32Å; E460-Y462 PolarHBondContact O-N 3.03Å; E460-N463 PolarHBondContact O-N 3.49Å; E460-D464 PolarHBondContact O-N 3.2Å
461	D	96.1	Very high	97.1	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.102	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-39.3	177.9	-71.8	-57.1	0	0	0	112.3	R253 F453 F457 S458 D464 I465	R253-D461 VanDerWaalsContact CD-OD1 3.28Å; R253-D461 WeakPolarHBondContact CD-OD1 3.41Å; R253-D461 IonicContact CZ-OD1 2.64Å; R253-D461 IonicContact NE-OD1 3.84Å; R253-D461 IonicContact NH1-OD1 2.79Å; R253-D461 PolarHBondContact NH1-OD1 2.73Å; F453-D461 HydrophobicContact CE1-CB 4.16Å; F457-D461 HydrophobicContact CB-CB 3.92Å; S458-D461 PolarHBondContact O-N 2.81Å; S458-D461 WeakPolarHBondContact OG-CB 3.25Å; S458-D461 VanDerWaalsContact OG-CG 3.23Å; S458-D461 PolarHBondContact OG-N 2.99Å; S458-D461 PolarHBondContact OG-OD2 3.07Å; D461-D464 PolarHBondContact O-N 3.29Å; D461-I465 WeakPolarHBondContact O-CG1 3.32Å; D461-I465 PolarHBondContact O-N 3.2Å; D461-I465 VanDerWaalsContact O-N 3.08Å
462	Y	98.2	Very high	97.1	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-48.9	175.2	172.8	-94.2	0	0	0	111.4	V446 K450 F453 I454 S458 E459 E460 D464 I465 V466	V446-Y462 HydrophobicContact CG1-CD2 3.98Å; V446-Y462 HydrophobicContact CG1-CE2 3.83Å; K450-Y462 HydrophobicContact CB-CD2 4.4Å; K450-Y462 HydrophobicContact CB-CE2 3.7Å; K450-Y462 HydrophobicContact CD-CD1 4.49Å; K450-Y462 HydrophobicContact CD-CE1 3.8Å; K450-Y462 HydrophobicContact CD-CE2 4.09Å; K450-Y462 HydrophobicContact CG-CD1 4.44Å; K450-Y462 HydrophobicContact CG-CD2 3.99Å; K450-Y462 HydrophobicContact CG-CE1 4.05Å; K450-Y462 HydrophobicContact CG-CE2 3.55Å; K450-Y462 HydrophobicContact CG-CG 4.42Å; F453-Y462 HydrophobicContact CB-CD2 4.46Å; F453-Y462 HydrophobicContact CD1-CD2 4.16Å; F453-Y462 HydrophobicContact CG-CD2 4.37Å; I454-Y462 HydrophobicContact CD1-CD1 4.38Å; I454-Y462 HydrophobicContact CD1-CG 4.23Å; I454-Y462 HydrophobicContact CG1-CG 4.09Å; S458-Y462 PolarHBondContact O-N 2.94Å; E459-Y462 PolarHBondContact O-N 2.83Å; E460-Y462 VanDerWaalsContact C-N 3.32Å; E460-Y462 PolarHBondContact O-N 3.03Å; Y462-D464 VanDerWaalsContact C-N 3.34Å; Y462-D464 PolarHBondContact O-N 3.06Å; Y462-I465 PolarHBondContact O-N 3.41Å; Y462-V466 HydrophobicContact CD1-CG2 4.37Å; Y462-V466 HydrophobicContact CD2-CG2 4.28Å; Y462-V466 HydrophobicContact CE1-CG2 3.89Å; Y462-V466 HydrophobicContact CE2-CG2 3.8Å; Y462-V466 WeakPolarHBondContact O-CG2 3.23Å; Y462-V466 PolarHBondContact O-N 2.87Å
463	N	97.7	Very high	97.2	Very high	85 Å²	85	47.5 Å²	47.5	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-39	-179.9	-70	-30.8	0	0	0	111.8	E459 E460 G467	E459-N463 VanDerWaalsContact O-CG 3.23Å; E459-N463 PolarHBondContact O-N 2.92Å; E459-N463 PolarHBondContact O-ND2 3.11Å; E459-N463 VanDerWaalsContact O-ND2 3.09Å; E460-N463 PolarHBondContact O-N 3.49Å; N463-G467 PolarHBondContact O-N 2.91Å
464	D	95.5	Very high	97.2	Very high	77 Å²	77	53.2 Å²	53.2	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-58.3	-47.6	173.8	-87.2	-1.7	0	0	0	112	R253 E460 D461 Y462 G468	R253-D464 IonicContact CZ-OD2 3.04Å; R253-D464 IonicContact NH1-OD2 2.85Å; R253-D464 PolarHBondContact NH1-OD2 3.23Å; R253-D464 IonicContact NH2-OD2 3.02Å; E460-D464 PolarHBondContact O-N 3.2Å; D461-D464 PolarHBondContact O-N 3.29Å; Y462-D464 VanDerWaalsContact C-N 3.34Å; Y462-D464 PolarHBondContact O-N 3.06Å; D464-G468 PolarHBondContact O-N 2.85Å
465	I	96.8	Very high	97.2	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-51.5	180	-71	-59.9	0	0	0	110.7	R253 Y254 V257 V446 F453 D461 Y462 G467 G468 W469	R253-I465 HydrophobicContact CG-CD1 4.3Å; Y254-I465 HydrophobicContact CD1-CD1 4.05Å; Y254-I465 HydrophobicContact CE1-CD1 4.08Å; V257-I465 HydrophobicContact CG2-CD1 4.08Å; V257-I465 HydrophobicContact CG2-CG1 4.2Å; V257-I465 HydrophobicContact CG2-CG2 3.56Å; V446-I465 HydrophobicContact CG1-CG2 4.03Å; V446-I465 HydrophobicContact CG2-CG2 4.18Å; F453-I465 HydrophobicContact CZ-CG1 3.91Å; D461-I465 WeakPolarHBondContact O-CG1 3.32Å; D461-I465 PolarHBondContact O-N 3.2Å; D461-I465 VanDerWaalsContact O-N 3.08Å; Y462-I465 PolarHBondContact O-N 3.41Å; I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 2.92Å; I465-G468 PolarHBondContact O-N 3.19Å; I465-W469 HydrophobicContact CD1-CE3 4.38Å; I465-W469 HydrophobicContact CD1-CH2 4.37Å; I465-W469 HydrophobicContact CD1-CZ3 3.67Å; I465-W469 HydrophobicContact CG2-CE3 3.98Å; I465-W469 HydrophobicContact CG2-CZ3 4.18Å; I465-W469 VanDerWaalsContact O-CE3 3.32Å; I465-W469 PolarHBondContact O-N 3.39Å
466	V	98	Very high	97.2	Very high	25 Å²	25	47.6 Å²	47.6	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-45.5	-179.1	169.3	0	0	0	0	110.9	L443 V446 E447 Y462 W469 S470	L443-V466 HydrophobicContact CD1-CB 4.26Å; L443-V466 HydrophobicContact CD1-CG1 4.17Å; L443-V466 HydrophobicContact CD1-CG2 4.07Å; V446-V466 HydrophobicContact CG1-CG2 4.2Å; E447-V466 HydrophobicContact CG-CG2 4.44Å; Y462-V466 HydrophobicContact CD1-CG2 4.37Å; Y462-V466 HydrophobicContact CD2-CG2 4.28Å; Y462-V466 HydrophobicContact CE1-CG2 3.89Å; Y462-V466 HydrophobicContact CE2-CG2 3.8Å; Y462-V466 WeakPolarHBondContact O-CG2 3.23Å; Y462-V466 PolarHBondContact O-N 2.87Å; V466-W469 PolarHBondContact O-N 3.32Å; V466-S470 VanDerWaalsContact O-CB 3.31Å; V466-S470 WeakPolarHBondContact O-CB 3.36Å; V466-S470 PolarHBondContact O-N 3.45Å; V466-S470 PolarHBondContact O-OG 3.15Å
467	G	97.3	Very high	97.2	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-45.8	176.5	0	0	0	0	0	112.2	N463 I465 W469 S470 A471	N463-G467 PolarHBondContact O-N 2.91Å; I465-G467 VanDerWaalsContact C-N 3.34Å; I465-G467 PolarHBondContact O-N 2.92Å; G467-W469 PolarHBondContact O-N 2.87Å; G467-S470 PolarHBondContact O-N 3.42Å; G467-A471 WeakPolarHBondContact O-CB 3.38Å; G467-A471 PolarHBondContact O-N 3.25Å
468	G	95.8	Very high	97.2	Very high	32 Å²	32	48.9 Å²	48.9	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-40.7	178.9	0	0	0	0	0	113.7	D464 I465 K472	D464-G468 PolarHBondContact O-N 2.85Å; I465-G468 PolarHBondContact O-N 3.19Å; G468-K472 WeakPolarHBondContact O-CE 3.46Å; G468-K472 WeakPolarHBondContact O-CG 3.39Å; G468-K472 PolarHBondContact O-N 2.73Å
469	W	97.8	Very high	97.2	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-70.6	-43	175.9	-97.1	-110.7	0	0	0	112.6	Y254 V257 F258 L439 E442 L443 I465 V466 G467 A471 K472 L473	Y254-W469 AromaticContact CD1-CH2 3.96Å; Y254-W469 HydrophobicContact CD1-CH2 3.96Å; Y254-W469 HydrophobicContact CD1-CZ3 4.21Å; Y254-W469 HydrophobicContact CE1-CH2 4.19Å; Y254-W469 HydrophobicContact CE1-CZ3 4.07Å; V257-W469 HydrophobicContact CB-CH2 4.11Å; V257-W469 HydrophobicContact CB-CZ2 4.06Å; V257-W469 HydrophobicContact CG1-CD2 4.33Å; V257-W469 HydrophobicContact CG1-CH2 3.75Å; V257-W469 HydrophobicContact CG1-CZ2 3.26Å; V257-W469 HydrophobicContact CG1-CZ3 4.46Å; V257-W469 HydrophobicContact CG2-CH2 4.43Å; F258-W469 HydrophobicContact CD1-CZ2 4.22Å; F258-W469 HydrophobicContact CE1-CH2 4.11Å; F258-W469 AromaticContact CE1-CZ2 3.55Å; F258-W469 HydrophobicContact CE1-CZ2 3.55Å; F258-W469 AromaticContact CE2-CH2 3.91Å; F258-W469 HydrophobicContact CE2-CH2 3.91Å; F258-W469 HydrophobicContact CE2-CZ2 4.17Å; F258-W469 AromaticContact CZ-CH2 3.6Å; F258-W469 HydrophobicContact CZ-CH2 3.6Å; F258-W469 AromaticContact CZ-CZ2 3.53Å; F258-W469 HydrophobicContact CZ-CZ2 3.53Å; L439-W469 HydrophobicContact CD2-CG 4.21Å; E442-W469 PolarHBondContact OE2-NE1 3.18Å; L443-W469 HydrophobicContact CB-CB 4.24Å; L443-W469 HydrophobicContact CD1-CB 4.03Å; L443-W469 HydrophobicContact CD2-CB 4.37Å; L443-W469 HydrophobicContact CG-CB 4.45Å; I465-W469 HydrophobicContact CD1-CE3 4.38Å; I465-W469 HydrophobicContact CD1-CH2 4.37Å; I465-W469 HydrophobicContact CD1-CZ3 3.67Å; I465-W469 HydrophobicContact CG2-CE3 3.98Å; I465-W469 HydrophobicContact CG2-CZ3 4.18Å; I465-W469 VanDerWaalsContact O-CE3 3.32Å; I465-W469 PolarHBondContact O-N 3.39Å; V466-W469 PolarHBondContact O-N 3.32Å; G467-W469 PolarHBondContact O-N 2.87Å; W469-A471 VanDerWaalsContact C-N 3.34Å; W469-A471 PolarHBondContact O-N 3.45Å; W469-K472 VanDerWaalsContact CD2-NZ 3.25Å; W469-K472 WeakPolarHBondContact O-CB 3.35Å; W469-K472 PolarHBondContact O-N 3.47Å; W469-L473 PolarHBondContact O-N 3.44Å
470	S	97.8	Very high	97.2	Very high	51 Å²	51	44.2 Å²	44.2	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176.5	-59.8	0	0	0	0	111.6	V466 G467 K472 L473 E474	V466-S470 VanDerWaalsContact O-CB 3.31Å; V466-S470 WeakPolarHBondContact O-CB 3.36Å; V466-S470 PolarHBondContact O-N 3.45Å; V466-S470 PolarHBondContact O-OG 3.15Å; G467-S470 PolarHBondContact O-N 3.42Å; S470-K472 PolarHBondContact O-N 3.15Å; S470-K472 VanDerWaalsContact C-N 3.34Å; S470-L473 PolarHBondContact O-N 3.17Å; S470-L473 VanDerWaalsContact O-N 3.16Å; S470-L473 WeakPolarHBondContact O-CB 3.49Å; S470-E474 PolarHBondContact O-N 3.5Å
471	A	97.4	Very high	97.3	Very high	20 Å²	20	37.3 Å²	37.3	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-33.7	177.7	0	0	0	0	0	112.6	G467 W469 E474 R475	G467-A471 WeakPolarHBondContact O-CB 3.38Å; G467-A471 PolarHBondContact O-N 3.25Å; W469-A471 VanDerWaalsContact C-N 3.34Å; W469-A471 PolarHBondContact O-N 3.45Å; A471-E474 PolarHBondContact O-N 3.48Å; A471-R475 VanDerWaalsContact CB-NH1 3.35Å; A471-R475 WeakPolarHBondContact O-CG 3.35Å; A471-R475 PolarHBondContact O-N 2.93Å; A471-R475 PolarHBondContact O-NH1 3.03Å
472	K	97.8	Very high	97.4	Very high	11 Å²	11	38.4 Å²	38.4	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-41.8	171	-75.8	179.5	-71.1	177.3	0	111.5	F435 L439 G468 W469 S470 E474 R475 T476	F435-K472 HydrophobicContact CZ-CD 4.17Å; L439-K472 HydrophobicContact CD1-CB 3.73Å; L439-K472 HydrophobicContact CD2-CB 4.25Å; L439-K472 HydrophobicContact CD2-CD 3.92Å; G468-K472 WeakPolarHBondContact O-CE 3.46Å; G468-K472 WeakPolarHBondContact O-CG 3.39Å; G468-K472 PolarHBondContact O-N 2.73Å; W469-K472 VanDerWaalsContact CD2-NZ 3.25Å; W469-K472 WeakPolarHBondContact O-CB 3.35Å; W469-K472 PolarHBondContact O-N 3.47Å; S470-K472 PolarHBondContact O-N 3.15Å; S470-K472 VanDerWaalsContact C-N 3.34Å; K472-E474 VanDerWaalsContact C-N 3.34Å; K472-R475 VanDerWaalsContact CG-NH2 3.26Å; K472-R475 PolarHBondContact O-N 2.89Å; K472-T476 WeakPolarHBondContact O-CB 3.41Å; K472-T476 PolarHBondContact O-OG1 3.24Å; K472-T476 PolarHBondContact O-N 2.92Å; K472-T476 WeakPolarHBondContact O-CG2 3.22Å; K472-T476 VanDerWaalsContact O-CG2 3.31Å
473	L	98.2	Very high	97.5	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-38.8	175.4	-73.7	170.3	0	0	0	112.2	V436 L439 R440 L443 W469 S470 T476 A477	V436-L473 HydrophobicContact CG1-CD2 4.08Å; L439-L473 HydrophobicContact CB-CD2 3.73Å; L439-L473 HydrophobicContact CB-CG 4.08Å; L439-L473 HydrophobicContact CD1-CD2 4.13Å; L439-L473 HydrophobicContact CD1-CG 4.36Å; R440-L473 HydrophobicContact CG-CD1 4.15Å; R440-L473 HydrophobicContact CG-CD2 3.83Å; L443-L473 HydrophobicContact CD2-CD1 3.91Å; W469-L473 PolarHBondContact O-N 3.44Å; S470-L473 PolarHBondContact O-N 3.17Å; S470-L473 VanDerWaalsContact O-N 3.16Å; S470-L473 WeakPolarHBondContact O-CB 3.49Å; L473-T476 WeakPolarHBondContact CA-OG1 3.41Å; L473-T476 PolarHBondContact O-OG1 2.93Å; L473-A477 WeakPolarHBondContact O-CB 3.18Å; L473-A477 PolarHBondContact O-N 3.3Å
474	E	97.8	Very high	97.5	Very high	124 Å²	124	33.5 Å²	33.5	58%	0.579	22%	0.218	S	C	*	.	H	α-helix	trans	-65.1	-49.2	175.5	-176.3	166.1	-166.9	0	0	111.8	S470 A471 K472 T476 A477 S478	S470-E474 PolarHBondContact O-N 3.5Å; A471-E474 PolarHBondContact O-N 3.48Å; K472-E474 VanDerWaalsContact C-N 3.34Å; E474-T476 VanDerWaalsContact C-N 3.32Å; E474-T476 PolarHBondContact O-N 2.93Å; E474-A477 PolarHBondContact O-N 3.29Å; E474-A477 VanDerWaalsContact O-N 3.17Å; E474-S478 PolarHBondContact O-N 3.39Å; E474-S478 PolarHBondContact O-OG 3.32Å
475	R	98.2	Very high	97.7	Very high	15 Å²	15	29.9 Å²	29.9	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-31.6	178.5	-69.2	-172.9	-61.4	-86.9	-1.2	114	A471 K472 S478 E480 Q481	A471-R475 VanDerWaalsContact CB-NH1 3.35Å; A471-R475 WeakPolarHBondContact O-CG 3.35Å; A471-R475 PolarHBondContact O-N 2.93Å; A471-R475 PolarHBondContact O-NH1 3.03Å; K472-R475 VanDerWaalsContact CG-NH2 3.26Å; K472-R475 PolarHBondContact O-N 2.89Å; R475-S478 WeakPolarHBondContact CA-OG 3.33Å; R475-S478 PolarHBondContact O-OG 2.83Å; R475-E480 WeakPolarHBondContact O-CB 3.16Å; R475-E480 PolarHBondContact O-N 3.08Å; R475-Q481 HydrophobicContact CB-CB 3.75Å; R475-Q481 PolarHBondContact O-N 3.23Å
476	T	97.3	Very high	97.8	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-39.2	173.5	47.4	0	0	0	0	110.8	T432 F435 V436 K472 L473 E474 G479 Q481	T432-T476 HydrophobicContact CG2-CG2 3.97Å; F435-T476 HydrophobicContact CD1-CG2 3.7Å; F435-T476 HydrophobicContact CE1-CG2 3.9Å; V436-T476 HydrophobicContact CG2-CG2 4.18Å; V436-T476 WeakPolarHBondContact CG2-OG1 3.3Å; K472-T476 WeakPolarHBondContact O-CB 3.41Å; K472-T476 PolarHBondContact O-OG1 3.24Å; K472-T476 PolarHBondContact O-N 2.92Å; K472-T476 WeakPolarHBondContact O-CG2 3.22Å; K472-T476 VanDerWaalsContact O-CG2 3.31Å; L473-T476 WeakPolarHBondContact CA-OG1 3.41Å; L473-T476 PolarHBondContact O-OG1 2.93Å; E474-T476 VanDerWaalsContact C-N 3.32Å; E474-T476 PolarHBondContact O-N 2.93Å; T476-G479 WeakPolarHBondContact O-CA 3.1Å; T476-G479 PolarHBondContact O-N 3.31Å; T476-Q481 WeakPolarHBondContact CG2-O 3.22Å; T476-Q481 HydrophobicContact CG2-CB 4.24Å
477	A	96.3	Very high	97.8	Very high	88 Å²	88	29.4 Å²	29.4	73%	0.727	20%	0.195	S	C	*	.	H	α-helix	trans	-67.4	-33	176.3	0	0	0	0	0	113.1	L473 E474 G479	L473-A477 WeakPolarHBondContact O-CB 3.18Å; L473-A477 PolarHBondContact O-N 3.3Å; E474-A477 PolarHBondContact O-N 3.29Å; E474-A477 VanDerWaalsContact O-N 3.17Å; A477-G479 PolarHBondContact O-N 2.91Å
478	S	96.3	Very high	97.9	Very high	67 Å²	67	27.6 Å²	27.6	47%	0.469	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.2	171	68.2	0	0	0	0	113.2	E474 R475 E480	E474-S478 PolarHBondContact O-N 3.39Å; E474-S478 PolarHBondContact O-OG 3.32Å; R475-S478 WeakPolarHBondContact CA-OG 3.33Å; R475-S478 PolarHBondContact O-OG 2.83Å; S478-E480 VanDerWaalsContact C-N 3.31Å; S478-E480 WeakPolarHBondContact OG-CG 3.41Å; S478-E480 PolarHBondContact OG-OE2 2.85Å
479	G	96.6	Very high	98	Very high	25 Å²	25	27.5 Å²	27.5	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	8.2	180	0	0	0	0	0	114.2	S389 T476 A477 K482	S389-G479 WeakPolarHBondContact CB-O 3.31Å; T476-G479 WeakPolarHBondContact O-CA 3.1Å; T476-G479 PolarHBondContact O-N 3.31Å; A477-G479 PolarHBondContact O-N 2.91Å; G479-K482 WeakPolarHBondContact O-CE 3.39Å; G479-K482 PolarHBondContact O-NZ 3.14Å
480	E	98.2	Very high	98	Very high	36 Å²	36	28.1 Å²	28.1	17%	0.168	17%	0.171	C	C	.	.			trans	-87.2	-55.9	-172.9	-68.1	-179.2	88.6	0	0	113.8	R388 S389 S394 F397 R475 S478	R388-E480 CarbonylContact C-O 3.49Å; R388-E480 VanDerWaalsContact CA-O 3.27Å; R388-E480 WeakPolarHBondContact CA-O 3.32Å; S389-E480 PolarHBondContact N-O 3.03Å; S394-E480 WeakPolarHBondContact CB-OE1 3.19Å; S394-E480 PolarHBondContact N-OE1 2.85Å; S394-E480 PolarHBondContact OG-OE1 2.89Å; S394-E480 PolarHBondContact OG-OE2 2.97Å; F397-E480 HydrophobicContact CD1-CB 3.77Å; F397-E480 HydrophobicContact CE1-CB 4.08Å; R475-E480 WeakPolarHBondContact O-CB 3.16Å; R475-E480 PolarHBondContact O-N 3.08Å; S478-E480 VanDerWaalsContact C-N 3.31Å; S478-E480 WeakPolarHBondContact OG-CG 3.41Å; S478-E480 PolarHBondContact OG-OE2 2.85Å
481	Q	98.4	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.8	-179.3	-173.3	171.1	-6.2	0	0	109.8	F397 R475 T476	F397-Q481 HydrophobicContact CE1-CB 4.41Å; F397-Q481 HydrophobicContact CE2-CB 4.19Å; F397-Q481 HydrophobicContact CE2-CG 4.3Å; F397-Q481 HydrophobicContact CZ-CB 3.87Å; F397-Q481 HydrophobicContact CZ-CG 4.1Å; R475-Q481 HydrophobicContact CB-CB 3.75Å; R475-Q481 PolarHBondContact O-N 3.23Å; T476-Q481 WeakPolarHBondContact CG2-O 3.22Å; T476-Q481 HydrophobicContact CG2-CB 4.24Å
482	K	98.7	Very high	97.8	Very high	42 Å²	42	34 Å²	34	18%	0.183	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164	-176.7	-58	-64.9	-178.4	-178	0	111.5	C387 T432 G479	C387-K482 HydrophobicContact CB-CB 3.7Å; C387-K482 PolarHBondContact N-O 2.91Å; C387-K482 PolarHBondContact O-N 2.87Å; T432-K482 HydrophobicContact CG2-CD 4.13Å; T432-K482 VanDerWaalsContact OG1-CA 3.25Å; T432-K482 WeakPolarHBondContact OG1-CA 3.41Å; T432-K482 VanDerWaalsContact OG1-CD 3.25Å; T432-K482 WeakPolarHBondContact OG1-CD 3.32Å; G479-K482 WeakPolarHBondContact O-CE 3.39Å; G479-K482 PolarHBondContact O-NZ 3.14Å
483	W	98.8	Very high	97.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.6	172.3	-171.8	52.6	0	0	0	110	T265 T270 F274 D356 T384 Y386 R431 T432 Q434 F435	T265-W483 HydrophobicContact CG2-CD2 4.35Å; T265-W483 HydrophobicContact CG2-CE3 4.47Å; T265-W483 HydrophobicContact CG2-CH2 3.8Å; T265-W483 HydrophobicContact CG2-CZ2 3.7Å; T265-W483 HydrophobicContact CG2-CZ3 4.22Å; T270-W483 HydrophobicContact CG2-CH2 4.09Å; F274-W483 AromaticContact CE2-CH2 3.54Å; F274-W483 HydrophobicContact CE2-CH2 3.54Å; F274-W483 AromaticContact CE2-CZ2 3.82Å; F274-W483 HydrophobicContact CE2-CZ2 3.82Å; F274-W483 AromaticContact CZ-CH2 3.4Å; F274-W483 HydrophobicContact CZ-CH2 3.4Å; F274-W483 VanDerWaalsContact CZ-CH2 3.4Å; F274-W483 HydrophobicContact CZ-CZ2 4.07Å; F274-W483 HydrophobicContact CZ-CZ3 4.03Å; D356-W483 PolarHBondContact OD1-NE1 3.13Å; T384-W483 HydrophobicContact CG2-CZ2 4.16Å; Y386-W483 AromaticContact CD1-CD1 3.9Å; R431-W483 CarbonylContact C-O 3.49Å; R431-W483 WeakPolarHBondContact CA-O 3.46Å; R431-W483 HydrophobicContact CB-CD2 4.49Å; R431-W483 HydrophobicContact CB-CE3 3.61Å; R431-W483 HydrophobicContact CB-CZ3 4.02Å; R431-W483 PolarHBondContact N-O 2.96Å; T432-W483 PolarHBondContact OG1-N 2.86Å; T432-W483 VanDerWaalsContact OG1-N 3.12Å; Q434-W483 HydrophobicContact CB-CZ3 4.37Å; Q434-W483 HydrophobicContact CG-CZ3 4.19Å; F435-W483 HydrophobicContact CB-CB 3.71Å; F435-W483 HydrophobicContact CB-CD2 4.15Å; F435-W483 HydrophobicContact CB-CE3 3.83Å; F435-W483 HydrophobicContact CB-CG 4.15Å; F435-W483 HydrophobicContact CD1-CB 4.05Å; F435-W483 HydrophobicContact CD2-CB 4.38Å; F435-W483 HydrophobicContact CD2-CD2 4.39Å; F435-W483 HydrophobicContact CD2-CG 4.29Å; F435-W483 HydrophobicContact CG-CB 3.81Å; F435-W483 HydrophobicContact CG-CD2 4.47Å; F435-W483 HydrophobicContact CG-CG 4.19Å
484	G	98.8	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.4	-175.7	0	0	0	0	0	112.4	T384 D385 E429	T384-G484 VanDerWaalsContact CA-O 3.26Å; T384-G484 WeakPolarHBondContact CA-O 3.11Å; D385-G484 PolarHBondContact N-O 3.09Å; D385-G484 PolarHBondContact O-N 3.16Å; E429-G484 WeakPolarHBondContact O-CA 3.3Å
485	L	98.8	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.8	161	169.7	69.7	0	0	0	109	F274 K277 L382 I383 T384 E429 R431 I487	F274-L485 HydrophobicContact CD1-CD1 4.12Å; F274-L485 HydrophobicContact CD1-CD2 3.91Å; F274-L485 HydrophobicContact CE1-CD1 4.43Å; F274-L485 HydrophobicContact CE1-CD2 3.91Å; F274-L485 HydrophobicContact CG-CD1 4.33Å; K277-L485 HydrophobicContact CD-CD2 4.02Å; L382-L485 HydrophobicContact CD1-CD1 4.35Å; L382-L485 HydrophobicContact CD2-CD1 3.92Å; L382-L485 HydrophobicContact CG-CD1 3.99Å; I383-L485 WeakPolarHBondContact O-CA 3.44Å; T384-L485 HydrophobicContact CG2-CD1 3.78Å; E429-L485 HydrophobicContact CB-CB 4.34Å; E429-L485 PolarHBondContact N-O 2.8Å; E429-L485 PolarHBondContact O-N 3.2Å; R431-L485 HydrophobicContact CG-CB 4.24Å; R431-L485 VanDerWaalsContact NE-CD2 3.27Å; L485-I487 HydrophobicContact CD1-CD1 4.47Å; L485-I487 HydrophobicContact CD1-CG1 4.23Å; L485-I487 HydrophobicContact CD2-CD1 4.18Å; L485-I487 HydrophobicContact CG-CD1 4.35Å; L485-I487 HydrophobicContact CG-CG1 4.27Å
486	F	98.9	Very high	97.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.2	-179.1	-49.8	-82	0	0	0	109.9	L382 I383 D385 V411 Y414 L418 I427 A428	L382-F486 CarbonylContact C-O 3.58Å; L382-F486 WeakPolarHBondContact CA-O 3.34Å; I383-F486 HydrophobicContact CB-CB 4.31Å; I383-F486 HydrophobicContact CB-CD2 4.32Å; I383-F486 HydrophobicContact CG2-CD2 4.21Å; I383-F486 PolarHBondContact N-O 3.25Å; I383-F486 PolarHBondContact O-N 2.89Å; D385-F486 HydrophobicContact CB-CE2 4.44Å; V411-F486 HydrophobicContact CG1-CE1 3.83Å; V411-F486 HydrophobicContact CG1-CZ 4.14Å; V411-F486 WeakPolarHBondContact O-CE1 3.42Å; Y414-F486 AromaticContact CD1-CD1 3.78Å; Y414-F486 HydrophobicContact CD1-CD1 3.78Å; Y414-F486 AromaticContact CD1-CD2 3.75Å; Y414-F486 HydrophobicContact CD1-CD2 3.75Å; Y414-F486 AromaticContact CD1-CE1 3.67Å; Y414-F486 HydrophobicContact CD1-CE1 3.67Å; Y414-F486 AromaticContact CD1-CE2 3.63Å; Y414-F486 HydrophobicContact CD1-CE2 3.63Å; Y414-F486 AromaticContact CD1-CG 3.82Å; Y414-F486 HydrophobicContact CD1-CG 3.82Å; Y414-F486 AromaticContact CD1-CZ 3.59Å; Y414-F486 HydrophobicContact CD1-CZ 3.59Å; Y414-F486 AromaticContact CD2-CE2 3.98Å; Y414-F486 HydrophobicContact CD2-CE2 3.98Å; Y414-F486 AromaticContact CD2-CZ 3.92Å; Y414-F486 HydrophobicContact CD2-CZ 3.92Å; Y414-F486 HydrophobicContact CE1-CD1 4.45Å; Y414-F486 AromaticContact CE1-CD2 3.71Å; Y414-F486 HydrophobicContact CE1-CD2 3.71Å; Y414-F486 AromaticContact CE1-CE2 3.84Å; Y414-F486 HydrophobicContact CE1-CE2 3.84Å; Y414-F486 HydrophobicContact CE1-CG 4.03Å; Y414-F486 HydrophobicContact CE1-CZ 4.28Å; Y414-F486 HydrophobicContact CE2-CE2 4.17Å; Y414-F486 HydrophobicContact CG-CD1 4.33Å; Y414-F486 HydrophobicContact CG-CD2 4.33Å; Y414-F486 AromaticContact CG-CE1 3.74Å; Y414-F486 HydrophobicContact CG-CE1 3.74Å; Y414-F486 AromaticContact CG-CE2 3.73Å; Y414-F486 HydrophobicContact CG-CE2 3.73Å; Y414-F486 AromaticContact CG-CZ 3.4Å; Y414-F486 HydrophobicContact CG-CZ 3.4Å; L418-F486 HydrophobicContact CD1-CB 3.73Å; L418-F486 HydrophobicContact CD1-CG 4.35Å; I427-F486 VanDerWaalsContact O-CA 3.26Å; I427-F486 WeakPolarHBondContact O-CA 3.12Å; A428-F486 HydrophobicContact CB-CD1 3.72Å; A428-F486 HydrophobicContact CB-CE1 3.85Å
487	I	98.7	Very high	97.7	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.097	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.1	177	-53.5	173.8	0	0	0	107.8	K277 V381 L382 V426 I427 L485	K277-I487 HydrophobicContact CB-CD1 4.04Å; K277-I487 HydrophobicContact CD-CD1 3.63Å; K277-I487 HydrophobicContact CG-CD1 4.44Å; V381-I487 VanDerWaalsContact O-CA 3.31Å; V381-I487 WeakPolarHBondContact O-CA 3.03Å; L382-I487 HydrophobicContact CD1-CD1 3.98Å; L382-I487 HydrophobicContact CD1-CG1 3.95Å; L382-I487 HydrophobicContact CG-CG1 4.02Å; V426-I487 WeakPolarHBondContact CA-O 3.42Å; I427-I487 HydrophobicContact CB-CB 4.31Å; I427-I487 PolarHBondContact N-O 3.05Å; I427-I487 PolarHBondContact O-N 3.14Å; L485-I487 HydrophobicContact CD1-CD1 4.47Å; L485-I487 HydrophobicContact CD1-CG1 4.23Å; L485-I487 HydrophobicContact CD2-CD1 4.18Å; L485-I487 HydrophobicContact CG-CD1 4.35Å; L485-I487 HydrophobicContact CG-CG1 4.27Å
488	A	98.7	Very high	97.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.2	175.3	0	0	0	0	0	112.1	K380 V381 F423 V426	K380-A488 CarbonylContact C-O 3.55Å; K380-A488 WeakPolarHBondContact CA-O 3.48Å; V381-A488 HydrophobicContact CG1-CB 3.75Å; V381-A488 PolarHBondContact N-O 2.66Å; V381-A488 PolarHBondContact O-N 3.04Å; F423-A488 HydrophobicContact CB-CB 3.69Å; F423-A488 HydrophobicContact CD1-CB 4.2Å; F423-A488 HydrophobicContact CG-CB 4.12Å; V426-A488 HydrophobicContact CB-CB 4.27Å; V426-A488 HydrophobicContact CG1-CB 4.48Å; V426-A488 HydrophobicContact CG2-CB 3.71Å
489	D	98.4	Very high	98	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.2	-178.1	-66.7	-21.8	0	0	0	110.9	K380 D424	K380-D489 VanDerWaalsContact CG-OD1 3.3Å; K380-D489 WeakPolarHBondContact CG-OD1 3.43Å; K380-D489 IonicContact NZ-OD1 3.57Å; K380-D489 PolarHBondContact NZ-OD1 2.91Å; K380-D489 IonicContact NZ-OD2 3.41Å; K380-D489 PolarHBondContact NZ-OD2 3.01Å; D424-D489 PolarHBondContact N-O 2.63Å; D424-D489 PolarHBondContact O-N 2.65Å
490	K	98.2	Very high	98.1	Very high	19 Å²	19	25.7 Å²	25.7	8%	0.083	12%	0.117	C	C	.	.			trans	-105	108.6	163.3	173.5	178	179.7	178.4	0	108.3	N347 F372 L375 G378 G379	N347-K490 PolarHBondContact OD1-NZ 3.39Å; F372-K490 HydrophobicContact CD2-CB 4.48Å; F372-K490 HydrophobicContact CD2-CD 4.41Å; F372-K490 HydrophobicContact CD2-CG 4.28Å; F372-K490 HydrophobicContact CE2-CB 4.15Å; F372-K490 HydrophobicContact CE2-CD 4.22Å; F372-K490 HydrophobicContact CE2-CG 3.72Å; F372-K490 HydrophobicContact CZ-CD 4.35Å; F372-K490 HydrophobicContact CZ-CG 3.98Å; F372-K490 VanDerWaalsContact O-CD 3.3Å; F372-K490 WeakPolarHBondContact O-CD 3.42Å; F372-K490 WeakPolarHBondContact O-CE 3.38Å; F372-K490 PolarHBondContact O-NZ 2.64Å; L375-K490 HydrophobicContact CB-CD 4.17Å; L375-K490 HydrophobicContact CD2-CB 3.88Å; L375-K490 HydrophobicContact CG-CB 4.47Å; L375-K490 VanDerWaalsContact O-CD 3.3Å; L375-K490 WeakPolarHBondContact O-CD 3.48Å; L375-K490 WeakPolarHBondContact O-CE 3.49Å; L375-K490 PolarHBondContact O-NZ 3.43Å; G378-K490 WeakPolarHBondContact CA-O 3.48Å; G378-K490 PolarHBondContact N-O 2.65Å; G379-K490 PolarHBondContact O-N 2.77Å
491	K	92.3	Very high	98.1	Very high	159 Å²	159	24.7 Å²	24.7	69%	0.691	11%	0.112	S	C	*	.			trans	-86.6	0	-180	-67.1	179.6	179.1	170.5	0	114.1	D424 D425	D424-K491 HydrophobicContact CB-CD 3.77Å; D424-K491 HydrophobicContact CB-CG 3.93Å; D424-K491 VanDerWaalsContact OD2-CB 3.32Å; D424-K491 WeakPolarHBondContact OD2-CB 3.25Å; D424-K491 PolarHBondContact OD2-N 2.75Å; D425-K491 IonicContact OD1-NZ 3.39Å; D425-K491 PolarHBondContact OD1-NZ 2.95Å; D425-K491 WeakPolarHBondContact OD2-CE 3.25Å; D425-K491 IonicContact OD2-NZ 2.65Å; D425-K491 PolarHBondContact OD2-NZ 2.94Å

Retrieved 491 of 491 residues in 2334.2 ms (Link to these results)

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