A0A060WHH9_ONCMY Loading...

Nitrite reductase

Monomeric globin with a bis-histidyl six-coordinate heme-iron atom through which it can bind dioxygen, carbon monoxide and nitric oxide. Could help transport oxygen and increase its availability to the metabolically active neuronal tissues, though its low quantity in tissues as well as its high affinity for dioxygen, which may limit its oxygen-releasing ability, argue against it. The ferrous/deoxygenated form exhibits a nitrite reductase activity and it could produce nitric oxide which in turn inhibits cellular respiration in response to hypoxia. In its ferrous/deoxygenated state, it may also exhibit GDI (Guanine nucleotide Dissociation Inhibitor) activity toward heterotrimeric G-alpha proteins, thereby regulating signal transduction to facilitate neuroprotective responses in the wake of hypoxia and associated oxidative stress.

AlphaFold DB , UniProt , Accession A0A060WHH9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 159 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	54.5	Low	88.9	Confident	120 Å²	120	97.6 Å²	97.6	59%	0.591	46%	0.461	S	S	*	.				0	119.8	0	-113.8	157.4	63.7	0	0	106.8	I141	M1-I141 HydrophobicContact CE-CG2 3.25Å; M1-I141 HydrophobicContact CG-CG2 4.24Å; M1-I141 HydrophobicContact SD-CG2 4.05Å
2	E	63.1	Low	89.7	Confident	178 Å²	178	89.5 Å²	89.5	83%	0.832	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-56.8	141.2	168.2	-76.6	178.2	150.3	0	0	109	I141	E2-I141 WeakPolarHBondContact O-CD1 3.23Å
3	K	83.5	Confident	90.4	Very high	197 Å²	197	88.8 Å²	88.8	86%	0.857	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-98.2	140	-178.8	-68.8	-176.7	177.5	-176.6	0	108.8
4	L	93.4	Very high	90.9	Very high	12 Å²	12	88.8 Å²	88.8	6%	0.063	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-66.5	139.2	169.8	-65.3	166.9	0	0	0	109.9	E8 K9 I12 L81 L84 N137 M138 I141	L4-E8 HydrophobicContact CB-CB 4.42Å; L4-E8 HydrophobicContact CD2-CB 4.24Å; L4-K9 HydrophobicContact CB-CG 3.92Å; L4-K9 WeakPolarHBondContact O-CE 3.34Å; L4-I12 HydrophobicContact CD1-CD1 4.01Å; L4-L81 HydrophobicContact CD1-CD2 3.53Å; L4-L84 HydrophobicContact CD1-CD1 4.16Å; L4-N137 HydrophobicContact CD2-CB 3.56Å; L4-M138 HydrophobicContact CD1-CB 3.91Å; L4-M138 HydrophobicContact CD1-CG 4.09Å; L4-M138 HydrophobicContact CD2-CB 4.5Å; L4-I141 HydrophobicContact CD1-CD1 4.39Å; L4-I141 HydrophobicContact CD2-CD1 4.37Å; L4-I141 HydrophobicContact CG-CD1 3.94Å
5	T	96.1	Very high	91.4	Very high	74 Å²	74	83.4 Å²	83.4	45%	0.454	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-70.7	156.4	170.6	64.1	0	0	0	0	110.9	K7 E8 K9	T5-K7 PolarHBondContact O-N 2.67Å; T5-E8 WeakPolarHBondContact CB-OE2 3.44Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.39Å; T5-E8 PolarHBondContact N-OE2 3.49Å; T5-E8 PolarHBondContact O-N 2.84Å; T5-E8 VanDerWaalsContact OG1-CG 3.23Å; T5-E8 WeakPolarHBondContact OG1-CG 3.49Å; T5-E8 PolarHBondContact OG1-N 2.8Å; T5-E8 PolarHBondContact OG1-OE2 2.77Å; T5-K9 WeakPolarHBondContact O-CG 3.38Å; T5-K9 PolarHBondContact O-N 2.71Å
6	E	96.6	Very high	91.9	Very high	121 Å²	121	78.7 Å²	78.7	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-56.2	-37.8	177.2	-64.6	-50.6	122.7	0	0	112.6	K9 E10	E6-K9 PolarHBondContact O-N 2.88Å; E6-K9 IonicContact OE1-NZ 3.8Å; E6-K9 PolarHBondContact OE1-NZ 3.22Å; E6-K9 IonicContact OE2-NZ 3.64Å; E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 2.92Å
7	K	97.2	Very high	92.2	Very high	145 Å²	145	82.8 Å²	82.8	63%	0.63	39%	0.394	S	S	*	.	H	α-helix	trans	-63.3	-42.6	176.1	-173.5	176.4	-178.2	177.4	0	112.3	T5 E10 L11	T5-K7 PolarHBondContact O-N 2.67Å; K7-E10 PolarHBondContact O-N 2.66Å; K7-L11 HydrophobicContact CG-CD1 4.43Å; K7-L11 WeakPolarHBondContact O-CB 3.48Å; K7-L11 VanDerWaalsContact O-CG 3.28Å; K7-L11 WeakPolarHBondContact O-CG 3.33Å; K7-L11 PolarHBondContact O-N 3.03Å
8	E	97.9	Very high	92.5	Very high	31 Å²	31	82.7 Å²	82.7	15%	0.145	40%	0.404	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.1	-72.3	166.6	129.2	0	0	111.3	L4 T5 E10 L11 I12 A134 N137	L4-E8 HydrophobicContact CB-CB 4.42Å; L4-E8 HydrophobicContact CD2-CB 4.24Å; T5-E8 WeakPolarHBondContact CB-OE2 3.44Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.39Å; T5-E8 PolarHBondContact N-OE2 3.49Å; T5-E8 PolarHBondContact O-N 2.84Å; T5-E8 VanDerWaalsContact OG1-CG 3.23Å; T5-E8 WeakPolarHBondContact OG1-CG 3.49Å; T5-E8 PolarHBondContact OG1-N 2.8Å; T5-E8 PolarHBondContact OG1-OE2 2.77Å; E8-E10 VanDerWaalsContact C-N 3.35Å; E8-E10 PolarHBondContact O-N 3.18Å; E8-L11 PolarHBondContact O-N 3.06Å; E8-I12 WeakPolarHBondContact O-CD1 3.17Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 2.65Å; E8-A134 HydrophobicContact CB-CB 3.73Å; E8-A134 HydrophobicContact CG-CB 3.8Å; E8-N137 PolarHBondContact OE1-ND2 3.33Å
9	K	98.2	Very high	92.8	Very high	19 Å²	19	79.1 Å²	79.1	8%	0.083	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-44.1	177.4	-62.2	177	-173.5	170.1	0	111.8	L4 T5 E6 I12 R13 L81 D82	L4-K9 HydrophobicContact CB-CG 3.92Å; L4-K9 WeakPolarHBondContact O-CE 3.34Å; T5-K9 WeakPolarHBondContact O-CG 3.38Å; T5-K9 PolarHBondContact O-N 2.71Å; E6-K9 PolarHBondContact O-N 2.88Å; E6-K9 IonicContact OE1-NZ 3.8Å; E6-K9 PolarHBondContact OE1-NZ 3.22Å; E6-K9 IonicContact OE2-NZ 3.64Å; K9-I12 PolarHBondContact O-N 2.99Å; K9-R13 VanDerWaalsContact O-CG 3.31Å; K9-R13 WeakPolarHBondContact O-CG 3.35Å; K9-R13 PolarHBondContact O-N 3Å; K9-L81 HydrophobicContact CB-CB 4.36Å; K9-L81 HydrophobicContact CB-CD1 4.24Å; K9-L81 HydrophobicContact CD-CB 4.28Å; K9-L81 WeakPolarHBondContact CE-O 3.43Å; K9-L81 HydrophobicContact CG-CB 4.04Å; K9-D82 WeakPolarHBondContact CD-OD1 3.36Å; K9-D82 IonicContact NZ-OD1 3.58Å; K9-D82 PolarHBondContact NZ-OD1 3.43Å
10	E	98.3	Very high	93	Very high	126 Å²	126	76.9 Å²	76.9	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-61.4	-47.1	176.8	-175.6	175.8	-163.7	0	0	111.4	E6 K7 E8 I12 R13 V14	E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 2.92Å; K7-E10 PolarHBondContact O-N 2.66Å; E8-E10 VanDerWaalsContact C-N 3.35Å; E8-E10 PolarHBondContact O-N 3.18Å; E10-I12 VanDerWaalsContact C-N 3.32Å; E10-I12 PolarHBondContact O-N 2.88Å; E10-R13 PolarHBondContact O-N 3.43Å; E10-V14 HydrophobicContact CG-CG2 4.25Å; E10-V14 WeakPolarHBondContact O-CB 3.19Å; E10-V14 WeakPolarHBondContact O-CG2 3.49Å; E10-V14 PolarHBondContact O-N 3.05Å
11	L	98.6	Very high	93.1	Very high	51 Å²	51	83.5 Å²	83.5	27%	0.267	41%	0.411	S	S	.	.	H	α-helix	trans	-56.1	-45.6	175.6	-75.3	172.1	0	0	0	111.9	K7 E8 S15 P130 L131 A134	K7-L11 HydrophobicContact CG-CD1 4.43Å; K7-L11 WeakPolarHBondContact O-CB 3.48Å; K7-L11 VanDerWaalsContact O-CG 3.28Å; K7-L11 WeakPolarHBondContact O-CG 3.33Å; K7-L11 PolarHBondContact O-N 3.03Å; E8-L11 PolarHBondContact O-N 3.06Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3Å; L11-S15 PolarHBondContact O-OG 2.85Å; L11-P130 HydrophobicContact CD1-CB 4.09Å; L11-L131 HydrophobicContact CB-CD1 3.8Å; L11-L131 WeakPolarHBondContact O-CD1 3.38Å; L11-A134 HydrophobicContact CB-CB 4.37Å
12	I	98.6	Very high	95	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-48.8	178.1	-65.6	159.2	0	0	0	110.6	L4 E8 K9 E10 S15 W16 V78 L81 A134 W135 M138	L4-I12 HydrophobicContact CD1-CD1 4.01Å; E8-I12 WeakPolarHBondContact O-CD1 3.17Å; E8-I12 VanDerWaalsContact O-CG1 3.23Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 2.65Å; K9-I12 PolarHBondContact O-N 2.99Å; E10-I12 VanDerWaalsContact C-N 3.32Å; E10-I12 PolarHBondContact O-N 2.88Å; I12-S15 PolarHBondContact O-OG 3.4Å; I12-W16 VanDerWaalsContact O-CB 3.22Å; I12-W16 WeakPolarHBondContact O-CB 3.27Å; I12-W16 PolarHBondContact O-N 3.38Å; I12-V78 HydrophobicContact CG2-CB 4.47Å; I12-V78 HydrophobicContact CG2-CG1 4.2Å; I12-V78 HydrophobicContact CG2-CG2 3.79Å; I12-L81 HydrophobicContact CB-CD1 3.95Å; I12-L81 HydrophobicContact CD1-CD1 4.45Å; I12-L81 HydrophobicContact CD1-CD2 4.04Å; I12-L81 HydrophobicContact CG2-CD1 3.77Å; I12-L81 HydrophobicContact CG2-CD2 4.4Å; I12-A134 HydrophobicContact CD1-CB 4.19Å; I12-A134 HydrophobicContact CG1-CB 3.97Å; I12-W135 HydrophobicContact CG1-CD2 4.38Å; I12-W135 HydrophobicContact CG1-CG 4.4Å; I12-W135 HydrophobicContact CG2-CD2 4.36Å; I12-W135 HydrophobicContact CG2-CH2 3.94Å; I12-W135 HydrophobicContact CG2-CZ2 3.78Å; I12-W135 HydrophobicContact CG2-CZ3 4.31Å; I12-M138 HydrophobicContact CD1-CB 3.81Å; I12-M138 HydrophobicContact CD1-CG 4.33Å; I12-M138 HydrophobicContact CD1-SD 4.4Å; I12-M138 HydrophobicContact CG2-SD 4Å
13	R	98.5	Very high	96.7	Very high	81 Å²	81	75.1 Å²	75.1	31%	0.306	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-52.6	-178.8	-74.1	171.5	177.7	145.8	-2.1	112.2	K9 E10 S15 W16 E17 V78 L81 D82	K9-R13 VanDerWaalsContact O-CG 3.31Å; K9-R13 WeakPolarHBondContact O-CG 3.35Å; K9-R13 PolarHBondContact O-N 3Å; E10-R13 PolarHBondContact O-N 3.43Å; R13-S15 PolarHBondContact O-N 3.41Å; R13-W16 PolarHBondContact O-N 3.23Å; R13-E17 WeakPolarHBondContact O-CB 3.43Å; R13-E17 PolarHBondContact O-N 3.01Å; R13-V78 HydrophobicContact CG-CG1 4.24Å; R13-L81 HydrophobicContact CG-CD1 3.84Å; R13-D82 IonicContact CZ-OD2 3.24Å; R13-D82 IonicContact NH1-OD2 3.19Å; R13-D82 VanDerWaalsContact NH2-CG 3.32Å; R13-D82 IonicContact NH2-OD1 2.6Å; R13-D82 IonicContact NH2-OD2 2.67Å; R13-D82 PolarHBondContact NH2-OD2 3.47Å
14	V	98.3	Very high	97.3	Very high	88 Å²	88	67.3 Å²	67.3	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-63.6	-44.5	-176.8	171.9	0	0	0	0	110.8	E10 E17 S18	E10-V14 HydrophobicContact CG-CG2 4.25Å; E10-V14 WeakPolarHBondContact O-CB 3.19Å; E10-V14 WeakPolarHBondContact O-CG2 3.49Å; E10-V14 PolarHBondContact O-N 3.05Å; V14-E17 PolarHBondContact O-N 3.34Å; V14-S18 PolarHBondContact O-N 3.22Å; V14-S18 VanDerWaalsContact O-N 3.07Å
15	S	98.5	Very high	97.5	Very high	8 Å²	8	70 Å²	70	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-68.2	-37.7	178.2	62.8	0	0	0	0	112.6	L11 I12 R13 S18 L19 L131 W135	L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3Å; L11-S15 PolarHBondContact O-OG 2.85Å; I12-S15 PolarHBondContact O-OG 3.4Å; R13-S15 PolarHBondContact O-N 3.41Å; S15-S18 PolarHBondContact O-OG 3.46Å; S15-L19 WeakPolarHBondContact O-CG 3.38Å; S15-L131 WeakPolarHBondContact OG-CD1 3.33Å; S15-W135 PolarHBondContact OG-NE1 3.18Å
16	W	98.5	Very high	97.6	Very high	8 Å²	8	68.2 Å²	68.2	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-46.2	175.8	-171.7	-115.9	0	0	0	110.6	I12 R13 S18 L19 K23 M71 I74 D75 V78 M118 W135	I12-W16 VanDerWaalsContact O-CB 3.22Å; I12-W16 WeakPolarHBondContact O-CB 3.27Å; I12-W16 PolarHBondContact O-N 3.38Å; R13-W16 PolarHBondContact O-N 3.23Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.13Å; W16-L19 HydrophobicContact CE3-CD1 3.73Å; W16-L19 HydrophobicContact CZ3-CD1 3.89Å; W16-L19 WeakPolarHBondContact O-CB 3.29Å; W16-L19 PolarHBondContact O-N 3.49Å; W16-K23 HydrophobicContact CH2-CB 4.38Å; W16-K23 HydrophobicContact CH2-CD 4.19Å; W16-K23 HydrophobicContact CH2-CG 4.12Å; W16-K23 HydrophobicContact CZ2-CB 4.38Å; W16-K23 HydrophobicContact CZ2-CD 3.93Å; W16-K23 HydrophobicContact CZ2-CG 3.72Å; W16-K23 PolarHBondContact O-NZ 2.93Å; W16-M71 HydrophobicContact CH2-SD 3.99Å; W16-I74 HydrophobicContact CD2-CG2 4.47Å; W16-I74 HydrophobicContact CE3-CG2 4.24Å; W16-I74 HydrophobicContact CH2-CB 4.02Å; W16-I74 HydrophobicContact CH2-CG2 3.56Å; W16-I74 HydrophobicContact CZ2-CB 4.17Å; W16-I74 HydrophobicContact CZ2-CG2 3.81Å; W16-I74 HydrophobicContact CZ3-CG2 3.8Å; W16-D75 HydrophobicContact CZ2-CB 4.27Å; W16-D75 PolarHBondContact NE1-OD1 3.42Å; W16-V78 HydrophobicContact CB-CG1 4.03Å; W16-V78 HydrophobicContact CB-CG2 4.24Å; W16-V78 HydrophobicContact CD2-CG2 4.27Å; W16-V78 HydrophobicContact CG-CB 4.38Å; W16-V78 HydrophobicContact CG-CG1 4.11Å; W16-V78 HydrophobicContact CG-CG2 3.93Å; W16-M118 HydrophobicContact CZ3-CE 4.32Å; W16-W135 HydrophobicContact CB-CH2 4.13Å; W16-W135 HydrophobicContact CB-CZ2 3.94Å; W16-W135 AromaticContact CD2-CH2 3.95Å; W16-W135 HydrophobicContact CD2-CH2 3.95Å; W16-W135 HydrophobicContact CD2-CZ2 4.47Å; W16-W135 AromaticContact CE3-CH2 3.43Å; W16-W135 HydrophobicContact CE3-CH2 3.43Å; W16-W135 VanDerWaalsContact CE3-CH2 3.43Å; W16-W135 AromaticContact CE3-CZ2 3.92Å; W16-W135 HydrophobicContact CE3-CZ2 3.92Å; W16-W135 HydrophobicContact CE3-CZ3 4.43Å; W16-W135 HydrophobicContact CG-CH2 4.28Å; W16-W135 HydrophobicContact CZ3-CH2 4.12Å
17	E	97.9	Very high	97.6	Very high	149 Å²	149	62.4 Å²	62.4	70%	0.696	32%	0.32	S	S	*	.	H	α-helix	trans	-58.6	-42.5	179.3	-174.3	174	-171.2	0	0	112.2	R13 V14 L19 G20	R13-E17 WeakPolarHBondContact O-CB 3.43Å; R13-E17 PolarHBondContact O-N 3.01Å; V14-E17 PolarHBondContact O-N 3.34Å; E17-L19 PolarHBondContact O-N 2.77Å; E17-L19 VanDerWaalsContact O-N 3.11Å; E17-G20 PolarHBondContact O-N 2.8Å
18	S	97.8	Very high	97.6	Very high	81 Å²	81	57.1 Å²	57.1	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-63.2	-19.8	-178.3	74.8	0	0	0	0	114.2	V14 S15 W16 G20 L123	V14-S18 PolarHBondContact O-N 3.22Å; V14-S18 VanDerWaalsContact O-N 3.07Å; S15-S18 PolarHBondContact O-OG 3.46Å; W16-S18 VanDerWaalsContact C-N 3.33Å; W16-S18 PolarHBondContact O-N 3.13Å; S18-G20 PolarHBondContact O-N 2.86Å; S18-L123 VanDerWaalsContact OG-CD2 3.27Å; S18-L123 WeakPolarHBondContact OG-CD2 3.31Å
19	L	97.5	Very high	97.6	Very high	14 Å²	14	58.4 Å²	58.4	7%	0.073	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.6	173.2	-59.1	-176.6	0	0	0	113.7	S15 W16 E17 K23 H26 M118 L119 S122 L123	S15-L19 WeakPolarHBondContact O-CG 3.38Å; W16-L19 HydrophobicContact CE3-CD1 3.73Å; W16-L19 HydrophobicContact CZ3-CD1 3.89Å; W16-L19 WeakPolarHBondContact O-CB 3.29Å; W16-L19 PolarHBondContact O-N 3.49Å; E17-L19 PolarHBondContact O-N 2.77Å; E17-L19 VanDerWaalsContact O-N 3.11Å; L19-K23 HydrophobicContact CB-CD 4.04Å; L19-H26 PolarHBondContact O-NE2 3.21Å; L19-M118 HydrophobicContact CD1-SD 4.3Å; L19-L119 HydrophobicContact CD1-CD2 4.18Å; L19-S122 VanDerWaalsContact CD2-CB 3.46Å; L19-L123 HydrophobicContact CD2-CD2 3.62Å; L19-L123 HydrophobicContact CD2-CG 4.05Å; L19-L123 HydrophobicContact CG-CD2 4.36Å
20	G	96.3	Very high	97.5	Very high	35 Å²	35	57.8 Å²	57.8	36%	0.361	30%	0.304	S	S	.	.			trans	79.6	170	177.8	0	0	0	0	0	113.7	E17 S18 N22 K23	E17-G20 PolarHBondContact O-N 2.8Å; S18-G20 PolarHBondContact O-N 2.86Å; G20-N22 VanDerWaalsContact C-N 3.33Å; G20-N22 PolarHBondContact O-N 2.88Å; G20-K23 WeakPolarHBondContact O-CD 3.49Å; G20-K23 WeakPolarHBondContact O-CE 3.14Å; G20-K23 PolarHBondContact O-NZ 3.35Å
21	K	95.1	Very high	97.4	Very high	216 Å²	216	52.2 Å²	52.2	94%	0.939	28%	0.278	S	S	*	.	S	Bend	trans	-63	-36.2	-171.9	-66.2	-178.3	179.1	-180	0	113.9	K23	K21-K23 PolarHBondContact O-N 3.34Å
22	N	95.9	Very high	97.2	Very high	100 Å²	100	51.1 Å²	51.1	54%	0.535	28%	0.275	S	S	.	.			trans	-88.3	104.9	179.5	-176.6	9.6	0	0	0	110.6	G20 V24 P25	G20-N22 VanDerWaalsContact C-N 3.33Å; G20-N22 PolarHBondContact O-N 2.88Å; N22-V24 WeakPolarHBondContact OD1-CB 3.41Å; N22-V24 PolarHBondContact OD1-N 2.93Å; N22-V24 VanDerWaalsContact OD1-N 3.1Å; N22-P25 WeakPolarHBondContact OD1-CD 3.34Å
23	K	97.4	Very high	97.1	Very high	21 Å²	21	54 Å²	54	9%	0.091	29%	0.286	C	S	.	.			trans	-88.7	-11.3	178.9	-53.8	-59	-175.2	-160.4	0	114.1	W16 L19 G20 K21 H26 G27 M71	W16-K23 HydrophobicContact CH2-CB 4.38Å; W16-K23 HydrophobicContact CH2-CD 4.19Å; W16-K23 HydrophobicContact CH2-CG 4.12Å; W16-K23 HydrophobicContact CZ2-CB 4.38Å; W16-K23 HydrophobicContact CZ2-CD 3.93Å; W16-K23 HydrophobicContact CZ2-CG 3.72Å; W16-K23 PolarHBondContact O-NZ 2.93Å; L19-K23 HydrophobicContact CB-CD 4.04Å; G20-K23 WeakPolarHBondContact O-CD 3.49Å; G20-K23 WeakPolarHBondContact O-CE 3.14Å; G20-K23 PolarHBondContact O-NZ 3.35Å; K21-K23 PolarHBondContact O-N 3.34Å; K23-H26 WeakPolarHBondContact O-CB 3.23Å; K23-H26 PolarHBondContact O-N 3.47Å; K23-H26 VanDerWaalsContact O-N 3.14Å; K23-G27 PolarHBondContact O-N 3.49Å; K23-M71 HydrophobicContact CB-CB 3.77Å; K23-M71 HydrophobicContact CB-CG 3.77Å; K23-M71 HydrophobicContact CB-SD 4.04Å
24	V	96.9	Very high	97	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-45.1	-172.5	179.2	0	0	0	0	112.7	N22 H26 G27 V28 L64 V67 T68	N22-V24 WeakPolarHBondContact OD1-CB 3.41Å; N22-V24 PolarHBondContact OD1-N 2.93Å; N22-V24 VanDerWaalsContact OD1-N 3.1Å; V24-H26 VanDerWaalsContact C-N 3.27Å; V24-H26 PolarHBondContact O-N 3.31Å; V24-G27 WeakPolarHBondContact O-CA 3.22Å; V24-G27 PolarHBondContact O-N 3Å; V24-G27 VanDerWaalsContact O-N 3.08Å; V24-V28 PolarHBondContact O-N 3.43Å; V24-L64 HydrophobicContact CG1-CD2 4.03Å; V24-V67 HydrophobicContact CG1-CG1 4.26Å; V24-T68 HydrophobicContact CG2-CG2 4.49Å; V24-T68 WeakPolarHBondContact CG2-OG1 3.49Å
25	P	97	Very high	96.7	Very high	69 Å²	69	46.3 Å²	46.3	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-37.5	177.9	-25.3	35.7	0	0	0	113.2	N22 V28 I29	N22-P25 WeakPolarHBondContact OD1-CD 3.34Å; P25-V28 PolarHBondContact O-N 2.62Å; P25-I29 PolarHBondContact O-N 2.97Å
26	H	98	Very high	96.5	Very high	36 Å²	36	51 Å²	51	17%	0.167	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-41.7	176	-54.6	-60.8	0	0	0	111	L19 K23 V24 V28 I29 M30 M118 S122	L19-H26 PolarHBondContact O-NE2 3.21Å; K23-H26 WeakPolarHBondContact O-CB 3.23Å; K23-H26 PolarHBondContact O-N 3.47Å; K23-H26 VanDerWaalsContact O-N 3.14Å; V24-H26 VanDerWaalsContact C-N 3.27Å; V24-H26 PolarHBondContact O-N 3.31Å; H26-V28 VanDerWaalsContact C-N 3.26Å; H26-V28 PolarHBondContact O-N 2.63Å; H26-I29 WeakPolarHBondContact O-CB 3.32Å; H26-I29 PolarHBondContact O-N 3.34Å; H26-M30 PolarHBondContact O-N 3.05Å; H26-M118 HydrophobicContact CB-CG 3.92Å; H26-M118 HydrophobicContact CB-SD 3.73Å; H26-M118 WeakPolarHBondContact O-CG 3.22Å; H26-S122 WeakPolarHBondContact ND1-CB 3.36Å; H26-S122 PolarHBondContact ND1-OG 3.26Å
27	G	97.4	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-34.2	173.5	0	0	0	0	0	113.5	K23 V24 M30 F31	K23-G27 PolarHBondContact O-N 3.49Å; V24-G27 WeakPolarHBondContact O-CA 3.22Å; V24-G27 PolarHBondContact O-N 3Å; V24-G27 VanDerWaalsContact O-N 3.08Å; G27-M30 WeakPolarHBondContact O-CB 3.28Å; G27-M30 PolarHBondContact O-N 3.38Å; G27-F31 WeakPolarHBondContact O-CD2 3.27Å; G27-F31 PolarHBondContact O-N 2.94Å
28	V	96.9	Very high	96	Very high	33 Å²	33	49 Å²	49	20%	0.2	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-39.5	173.3	174.1	0	0	0	0	111.3	V24 P25 H26 M30 F31 S32 L58 L64	V24-V28 PolarHBondContact O-N 3.43Å; P25-V28 PolarHBondContact O-N 2.62Å; H26-V28 VanDerWaalsContact C-N 3.26Å; H26-V28 PolarHBondContact O-N 2.63Å; V28-M30 VanDerWaalsContact C-N 3.33Å; V28-M30 PolarHBondContact O-N 3.49Å; V28-F31 PolarHBondContact O-N 2.88Å; V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.23Å; V28-L58 HydrophobicContact CG1-CB 4.31Å; V28-L58 HydrophobicContact CG1-CD1 4.44Å; V28-L64 HydrophobicContact CG2-CD2 3.7Å
29	I	97.3	Very high	95.7	Very high	59 Å²	59	48.9 Å²	48.9	30%	0.303	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-44.9	173.8	-60.3	169.2	0	0	0	110.4	P25 H26 F31 S32 R33 Y117 M118 C121	P25-I29 PolarHBondContact O-N 2.97Å; H26-I29 WeakPolarHBondContact O-CB 3.32Å; H26-I29 PolarHBondContact O-N 3.34Å; I29-F31 PolarHBondContact O-N 3.48Å; I29-S32 PolarHBondContact O-N 3.25Å; I29-R33 PolarHBondContact O-N 3.37Å; I29-Y117 HydrophobicContact CG2-CD1 4.06Å; I29-Y117 HydrophobicContact CG2-CE1 3.81Å; I29-M118 HydrophobicContact CB-CG 4.42Å; I29-M118 HydrophobicContact CG2-CB 4.39Å; I29-C121 HydrophobicContact CG2-CB 4.29Å
30	M	97.8	Very high	95.2	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-48.4	176.5	175.5	-178.7	170.2	0	0	111.4	H26 G27 V28 R33 L34 M71 V111 S114 L115 M118	H26-M30 PolarHBondContact O-N 3.05Å; G27-M30 WeakPolarHBondContact O-CB 3.28Å; G27-M30 PolarHBondContact O-N 3.38Å; V28-M30 VanDerWaalsContact C-N 3.33Å; V28-M30 PolarHBondContact O-N 3.49Å; M30-R33 PolarHBondContact O-N 3.32Å; M30-L34 PolarHBondContact O-N 2.86Å; M30-M71 HydrophobicContact SD-CE 3.98Å; M30-V111 HydrophobicContact CE-CG1 3.5Å; M30-S114 WeakPolarHBondContact O-CB 3.49Å; M30-L115 HydrophobicContact CE-CB 4.2Å; M30-L115 HydrophobicContact SD-CB 4.25Å; M30-L115 HydrophobicContact SD-CD1 4.22Å; M30-M118 HydrophobicContact CB-CB 3.84Å; M30-M118 HydrophobicContact CB-CG 4.16Å
31	F	95.7	Very high	94.9	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-73	-33	-178.7	-86.5	-77.3	0	0	0	113.8	G27 V28 I29 R33 L34 F35 F45 L58 F63 H66 V67 V70	G27-F31 WeakPolarHBondContact O-CD2 3.27Å; G27-F31 PolarHBondContact O-N 2.94Å; V28-F31 PolarHBondContact O-N 2.88Å; I29-F31 PolarHBondContact O-N 3.48Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 2.7Å; F31-L34 HydrophobicContact CD1-CD2 3.81Å; F31-L34 HydrophobicContact CE1-CD2 3.9Å; F31-L34 WeakPolarHBondContact O-CB 3.26Å; F31-L34 PolarHBondContact O-N 3.31Å; F31-F35 HydrophobicContact CB-CE2 4.34Å; F31-F35 HydrophobicContact CD1-CE2 4.19Å; F31-F35 AromaticContact CD1-CZ 3.94Å; F31-F35 HydrophobicContact CD1-CZ 3.94Å; F31-F35 VanDerWaalsContact O-CD2 3.23Å; F31-F35 WeakPolarHBondContact O-CD2 3.45Å; F31-F35 WeakPolarHBondContact O-CG 3.31Å; F31-F35 PolarHBondContact O-N 3.07Å; F31-F45 HydrophobicContact CE1-CZ 4.07Å; F31-L58 HydrophobicContact CB-CD2 3.74Å; F31-F63 HydrophobicContact CB-CE1 3.79Å; F31-F63 HydrophobicContact CB-CZ 3.65Å; F31-F63 HydrophobicContact CD1-CE1 4.33Å; F31-F63 HydrophobicContact CD1-CE2 4.4Å; F31-F63 AromaticContact CD1-CZ 3.53Å; F31-F63 HydrophobicContact CD1-CZ 3.53Å; F31-F63 HydrophobicContact CD2-CE1 4.22Å; F31-F63 HydrophobicContact CD2-CZ 4.18Å; F31-F63 HydrophobicContact CE1-CZ 4.16Å; F31-F63 AromaticContact CG-CE1 3.87Å; F31-F63 HydrophobicContact CG-CE1 3.87Å; F31-F63 AromaticContact CG-CZ 3.52Å; F31-F63 HydrophobicContact CG-CZ 3.52Å; F31-H66 AromaticContact CZ-CD2 3.51Å; F31-H66 AromaticContact CZ-NE2 3.62Å; F31-V67 HydrophobicContact CD2-CB 4.46Å; F31-V67 HydrophobicContact CD2-CG1 4.46Å; F31-V67 HydrophobicContact CD2-CG2 3.67Å; F31-V67 HydrophobicContact CE2-CG2 4.03Å; F31-V67 HydrophobicContact CG-CG2 4.44Å; F31-V70 HydrophobicContact CE2-CB 4.27Å; F31-V70 HydrophobicContact CE2-CG1 4.45Å; F31-V70 HydrophobicContact CE2-CG2 4.08Å; F31-V70 HydrophobicContact CZ-CG2 3.95Å
32	S	94.9	Very high	94.5	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-49.7	170.1	-168.6	0	0	0	0	110.3	V28 I29 L34 F35 E36	V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.23Å; I29-S32 PolarHBondContact O-N 3.25Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.99Å; S32-F35 PolarHBondContact O-N 2.93Å; S32-E36 WeakPolarHBondContact O-CG 3.41Å; S32-E36 PolarHBondContact O-N 3.02Å
33	R	96.5	Very high	94	Very high	61 Å²	61	42.4 Å²	42.4	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40.4	177.3	-176.9	60.9	178.6	172.6	3.6	112.4	I29 M30 F31 F35 E36 L37 E113 Y117	I29-R33 PolarHBondContact O-N 3.37Å; M30-R33 PolarHBondContact O-N 3.32Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 2.7Å; R33-F35 PolarHBondContact O-N 3.19Å; R33-E36 IonicContact NH1-OE2 3.52Å; R33-E36 PolarHBondContact O-N 3.06Å; R33-L37 HydrophobicContact CG-CD1 4.04Å; R33-L37 WeakPolarHBondContact O-CG 3.39Å; R33-L37 PolarHBondContact O-N 3.05Å; R33-L37 VanDerWaalsContact O-N 3.07Å; R33-E113 IonicContact CZ-OE1 2.66Å; R33-E113 IonicContact NE-OE1 3.98Å; R33-E113 IonicContact NH2-OE1 3.08Å; R33-E113 PolarHBondContact NH2-OE1 3.43Å; R33-E113 VanDerWaalsContact NH2-OE1 3.08Å; R33-Y117 HydrophobicContact CB-CD1 3.6Å; R33-Y117 HydrophobicContact CB-CE1 4.06Å; R33-Y117 HydrophobicContact CB-CG 4.25Å; R33-Y117 HydrophobicContact CG-CD1 3.64Å; R33-Y117 HydrophobicContact CG-CD2 4.49Å; R33-Y117 HydrophobicContact CG-CE1 4.28Å; R33-Y117 HydrophobicContact CG-CG 3.76Å
34	L	95.6	Very high	93.5	Very high	7 Å²	7	44 Å²	44	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-46.1	177.7	179.7	60.5	0	0	0	111.6	M30 F31 S32 L37 E38 L41 V110 V111 S114	M30-L34 PolarHBondContact O-N 2.86Å; F31-L34 HydrophobicContact CD1-CD2 3.81Å; F31-L34 HydrophobicContact CE1-CD2 3.9Å; F31-L34 WeakPolarHBondContact O-CB 3.26Å; F31-L34 PolarHBondContact O-N 3.31Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.99Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-E38 PolarHBondContact O-N 3.11Å; L34-L41 HydrophobicContact CD1-CD1 3.64Å; L34-L41 HydrophobicContact CD2-CD1 4.13Å; L34-L41 HydrophobicContact CG-CD1 3.9Å; L34-V110 HydrophobicContact CD1-CB 4.03Å; L34-V110 HydrophobicContact CD1-CG1 3.66Å; L34-V111 HydrophobicContact CD1-CG2 3.8Å; L34-V111 HydrophobicContact CD2-CG2 4.02Å; L34-S114 VanDerWaalsContact CA-OG 3.28Å; L34-S114 WeakPolarHBondContact CA-OG 3.36Å; L34-S114 PolarHBondContact N-OG 2.8Å
35	F	93	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-78.3	-21.9	-179.4	-59.5	-41.3	0	0	0	114	F31 S32 R33 L37 P39 L41 L42 F45 I54 L58 F63	F31-F35 HydrophobicContact CB-CE2 4.34Å; F31-F35 HydrophobicContact CD1-CE2 4.19Å; F31-F35 AromaticContact CD1-CZ 3.94Å; F31-F35 HydrophobicContact CD1-CZ 3.94Å; F31-F35 VanDerWaalsContact O-CD2 3.23Å; F31-F35 WeakPolarHBondContact O-CD2 3.45Å; F31-F35 WeakPolarHBondContact O-CG 3.31Å; F31-F35 PolarHBondContact O-N 3.07Å; S32-F35 PolarHBondContact O-N 2.93Å; R33-F35 PolarHBondContact O-N 3.19Å; F35-L37 VanDerWaalsContact C-N 3.34Å; F35-P39 VanDerWaalsContact O-CA 3.24Å; F35-P39 WeakPolarHBondContact O-CA 3.32Å; F35-P39 WeakPolarHBondContact O-CD 3.16Å; F35-P39 VanDerWaalsContact O-CG 3.27Å; F35-P39 WeakPolarHBondContact O-CG 3.36Å; F35-L41 HydrophobicContact CD1-CB 4.19Å; F35-L41 HydrophobicContact CE1-CB 3.97Å; F35-L42 HydrophobicContact CD1-CB 4.16Å; F35-L42 HydrophobicContact CD1-CD1 4.4Å; F35-L42 HydrophobicContact CD2-CD1 3.87Å; F35-L42 HydrophobicContact CE1-CB 4.3Å; F35-L42 HydrophobicContact CE1-CD1 4.25Å; F35-L42 HydrophobicContact CE2-CD1 3.66Å; F35-L42 HydrophobicContact CG-CD1 4.24Å; F35-L42 HydrophobicContact CZ-CD1 3.88Å; F35-F45 HydrophobicContact CE1-CD2 4.09Å; F35-F45 AromaticContact CE1-CE2 3.68Å; F35-F45 HydrophobicContact CE1-CE2 3.68Å; F35-F45 AromaticContact CZ-CD2 3.75Å; F35-F45 HydrophobicContact CZ-CD2 3.75Å; F35-F45 AromaticContact CZ-CE2 3.43Å; F35-F45 HydrophobicContact CZ-CE2 3.43Å; F35-F45 VanDerWaalsContact CZ-CE2 3.43Å; F35-F45 HydrophobicContact CZ-CZ 4.14Å; F35-I54 HydrophobicContact CB-CD1 4.28Å; F35-I54 HydrophobicContact CB-CG2 4.14Å; F35-I54 HydrophobicContact CD2-CG2 4.18Å; F35-L58 HydrophobicContact CD2-CD2 3.99Å; F35-L58 HydrophobicContact CE2-CD2 3.87Å; F35-F63 AromaticContact CE2-CE2 3.55Å; F35-F63 HydrophobicContact CE2-CE2 3.55Å; F35-F63 AromaticContact CE2-CZ 3.46Å; F35-F63 HydrophobicContact CE2-CZ 3.46Å; F35-F63 VanDerWaalsContact CE2-CZ 3.46Å; F35-F63 AromaticContact CZ-CE2 3.66Å; F35-F63 HydrophobicContact CZ-CE2 3.66Å; F35-F63 AromaticContact CZ-CZ 3.82Å; F35-F63 HydrophobicContact CZ-CZ 3.82Å
36	E	92.8	Very high	91.6	Very high	106 Å²	106	48.8 Å²	48.8	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-40.5	166	-74.5	167.9	-162.3	0	0	111.5	S32 R33	S32-E36 WeakPolarHBondContact O-CG 3.41Å; S32-E36 PolarHBondContact O-N 3.02Å; R33-E36 IonicContact NH1-OE2 3.52Å; R33-E36 PolarHBondContact O-N 3.06Å
37	L	94.1	Very high	90.1	Very high	65 Å²	65	50.1 Å²	50.1	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-81.6	-38.1	-177.9	-68.8	174.1	0	0	0	113	R33 L34 F35 V110 E113	R33-L37 HydrophobicContact CG-CD1 4.04Å; R33-L37 WeakPolarHBondContact O-CG 3.39Å; R33-L37 PolarHBondContact O-N 3.05Å; R33-L37 VanDerWaalsContact O-N 3.07Å; L34-L37 PolarHBondContact O-N 3.17Å; F35-L37 VanDerWaalsContact C-N 3.34Å; L37-V110 HydrophobicContact CB-CG1 3.39Å; L37-V110 HydrophobicContact CD1-CG1 3.69Å; L37-V110 HydrophobicContact CG-CG1 4.19Å; L37-E113 HydrophobicContact CD1-CB 4.46Å; L37-E113 HydrophobicContact CD1-CG 4.21Å; L37-E113 WeakPolarHBondContact CD1-OE1 3.46Å
38	E	93.1	Very high	88	Confident	49 Å²	49	58.2 Å²	58.2	23%	0.229	31%	0.305	C	S	.	.			trans	-136.6	73.3	-177.9	-160.2	178.5	159.4	0	0	110.9	L34 A40 L41 S107 V110	L34-E38 PolarHBondContact O-N 3.11Å; E38-A40 PolarHBondContact O-N 2.67Å; E38-L41 HydrophobicContact CB-CD1 3.94Å; E38-L41 HydrophobicContact CB-CG 4.13Å; E38-L41 HydrophobicContact CG-CD1 4.03Å; E38-L41 HydrophobicContact CG-CG 3.81Å; E38-L41 WeakPolarHBondContact O-CB 3.39Å; E38-L41 PolarHBondContact O-N 3.27Å; E38-S107 PolarHBondContact OE1-OG 2.76Å; E38-S107 WeakPolarHBondContact OE2-CB 3.4Å; E38-S107 PolarHBondContact OE2-OG 3.02Å; E38-V110 HydrophobicContact CB-CG1 4.28Å; E38-V110 WeakPolarHBondContact OE2-CG2 3.42Å
39	P	89.8	Confident	85.9	Confident	79 Å²	79	59.2 Å²	59.2	51%	0.513	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.5	-175.5	-23.4	30.2	0	0	0	114.1	F35 L41 L42	F35-P39 VanDerWaalsContact O-CA 3.24Å; F35-P39 WeakPolarHBondContact O-CA 3.32Å; F35-P39 WeakPolarHBondContact O-CD 3.16Å; F35-P39 VanDerWaalsContact O-CG 3.27Å; F35-P39 WeakPolarHBondContact O-CG 3.36Å; P39-L41 PolarHBondContact O-N 2.85Å; P39-L42 VanDerWaalsContact O-CB 3.27Å; P39-L42 WeakPolarHBondContact O-CB 3.49Å; P39-L42 PolarHBondContact O-N 3.35Å; P39-L42 VanDerWaalsContact O-N 3.13Å
40	A	88.1	Confident	84	Confident	64 Å²	64	64.7 Å²	64.7	53%	0.529	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62	-26.3	179.4	0	0	0	0	0	113.2	E38 L42 N43	E38-A40 PolarHBondContact O-N 2.67Å; A40-L42 PolarHBondContact O-N 2.82Å; A40-N43 WeakPolarHBondContact O-CB 3.49Å; A40-N43 PolarHBondContact O-N 3.38Å; A40-N43 PolarHBondContact O-ND2 3.23Å
41	L	89.4	Confident	82.3	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.079	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24.9	176.9	-69	178.1	0	0	0	112.5	L34 F35 E38 P39 N43 L44 F45	L34-L41 HydrophobicContact CD1-CD1 3.64Å; L34-L41 HydrophobicContact CD2-CD1 4.13Å; L34-L41 HydrophobicContact CG-CD1 3.9Å; F35-L41 HydrophobicContact CD1-CB 4.19Å; F35-L41 HydrophobicContact CE1-CB 3.97Å; E38-L41 HydrophobicContact CB-CD1 3.94Å; E38-L41 HydrophobicContact CB-CG 4.13Å; E38-L41 HydrophobicContact CG-CD1 4.03Å; E38-L41 HydrophobicContact CG-CG 3.81Å; E38-L41 WeakPolarHBondContact O-CB 3.39Å; E38-L41 PolarHBondContact O-N 3.27Å; P39-L41 PolarHBondContact O-N 2.85Å; L41-N43 PolarHBondContact O-N 2.87Å; L41-L44 HydrophobicContact CD2-CD1 3.96Å; L41-L44 WeakPolarHBondContact O-CB 3.44Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-L44 VanDerWaalsContact O-N 3.12Å; L41-F45 VanDerWaalsContact O-CD2 3.31Å; L41-F45 WeakPolarHBondContact O-CD2 3.4Å
42	L	87.1	Confident	80.9	Confident	36 Å²	36	69.4 Å²	69.4	19%	0.188	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.4	176.6	-169.3	67.9	0	0	0	111.4	F35 P39 A40 L44 F45 I54 C57	F35-L42 HydrophobicContact CD1-CB 4.16Å; F35-L42 HydrophobicContact CD1-CD1 4.4Å; F35-L42 HydrophobicContact CD2-CD1 3.87Å; F35-L42 HydrophobicContact CE1-CB 4.3Å; F35-L42 HydrophobicContact CE1-CD1 4.25Å; F35-L42 HydrophobicContact CE2-CD1 3.66Å; F35-L42 HydrophobicContact CG-CD1 4.24Å; F35-L42 HydrophobicContact CZ-CD1 3.88Å; P39-L42 VanDerWaalsContact O-CB 3.27Å; P39-L42 WeakPolarHBondContact O-CB 3.49Å; P39-L42 PolarHBondContact O-N 3.35Å; P39-L42 VanDerWaalsContact O-N 3.13Å; A40-L42 PolarHBondContact O-N 2.82Å; L42-L44 PolarHBondContact O-N 3.45Å; L42-F45 WeakPolarHBondContact O-CB 3.46Å; L42-F45 PolarHBondContact O-N 2.6Å; L42-I54 HydrophobicContact CD2-CG1 4.16Å; L42-C57 HydrophobicContact CD1-CB 3.99Å
43	N	86	Confident	80.1	Confident	115 Å²	115	71.6 Å²	71.6	62%	0.615	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-66.4	-17.9	-179.2	-62.7	-39.8	0	0	0	113.6	A40 L41 F45 H46	A40-N43 WeakPolarHBondContact O-CB 3.49Å; A40-N43 PolarHBondContact O-N 3.38Å; A40-N43 PolarHBondContact O-ND2 3.23Å; L41-N43 PolarHBondContact O-N 2.87Å; N43-F45 VanDerWaalsContact C-N 3.25Å; N43-H46 PolarHBondContact O-CE1 3.14Å; N43-H46 PolarHBondContact O-ND1 3.01Å; N43-H46 PolarHBondContact O-NE2 2.81Å
44	L	87	Confident	79.1	Confident	54 Å²	54	71.6 Å²	71.6	28%	0.283	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-77	-17	176.1	-54.7	-177.1	0	0	0	112	L41 L42 H46 V101 V103	L41-L44 HydrophobicContact CD2-CD1 3.96Å; L41-L44 WeakPolarHBondContact O-CB 3.44Å; L41-L44 PolarHBondContact O-N 3.01Å; L41-L44 VanDerWaalsContact O-N 3.12Å; L42-L44 PolarHBondContact O-N 3.45Å; L44-H46 PolarHBondContact O-N 3.32Å; L44-V101 WeakPolarHBondContact CD2-O 3.39Å; L44-V103 HydrophobicContact CD1-CG2 3.67Å
45	F	83.3	Confident	78.3	Confident	40 Å²	40	76.5 Å²	76.5	18%	0.175	43%	0.425	C	S	.	.			trans	-88.9	76.7	178	-64.6	-81.8	0	0	0	109.6	F31 F35 L41 L42 N43 Y47 F63 H66	F31-F45 HydrophobicContact CE1-CZ 4.07Å; F35-F45 HydrophobicContact CE1-CD2 4.09Å; F35-F45 AromaticContact CE1-CE2 3.68Å; F35-F45 HydrophobicContact CE1-CE2 3.68Å; F35-F45 AromaticContact CZ-CD2 3.75Å; F35-F45 HydrophobicContact CZ-CD2 3.75Å; F35-F45 AromaticContact CZ-CE2 3.43Å; F35-F45 HydrophobicContact CZ-CE2 3.43Å; F35-F45 VanDerWaalsContact CZ-CE2 3.43Å; F35-F45 HydrophobicContact CZ-CZ 4.14Å; L41-F45 VanDerWaalsContact O-CD2 3.31Å; L41-F45 WeakPolarHBondContact O-CD2 3.4Å; L42-F45 WeakPolarHBondContact O-CB 3.46Å; L42-F45 PolarHBondContact O-N 2.6Å; N43-F45 VanDerWaalsContact C-N 3.25Å; F45-Y47 HydrophobicContact CB-CD2 3.8Å; F45-Y47 HydrophobicContact CB-CE2 3.62Å; F45-Y47 HydrophobicContact CD1-CD2 4.42Å; F45-Y47 AromaticContact CD1-CE2 3.41Å; F45-Y47 HydrophobicContact CD1-CE2 3.41Å; F45-Y47 VanDerWaalsContact CD1-CE2 3.41Å; F45-Y47 AromaticContact CD1-CZ 3.71Å; F45-Y47 WeakPolarHBondContact CD1-OH 3.44Å; F45-Y47 HydrophobicContact CE1-CE2 4.44Å; F45-Y47 AromaticContact CG-CE2 3.92Å; F45-Y47 HydrophobicContact CG-CE2 3.92Å; F45-Y47 PolarHBondContact O-N 3.42Å; F45-F63 HydrophobicContact CD1-CD2 4.18Å; F45-F63 HydrophobicContact CD1-CE2 4.03Å; F45-F63 HydrophobicContact CD2-CE2 4.37Å; F45-F63 HydrophobicContact CE1-CD2 4.48Å; F45-F63 AromaticContact CE1-CE2 3.99Å; F45-F63 HydrophobicContact CE1-CE2 3.99Å; F45-F63 HydrophobicContact CE2-CE2 4.38Å; F45-F63 HydrophobicContact CG-CD2 4.41Å; F45-F63 HydrophobicContact CG-CE2 4.18Å; F45-F63 HydrophobicContact CZ-CE2 4.16Å; F45-H66 AromaticContact CE1-CD2 3.61Å; F45-H66 AromaticContact CE1-CG 3.96Å; F45-H66 AromaticContact CE1-NE2 3.76Å; F45-H66 AromaticContact CZ-NE2 3.99Å
46	H	70	Confident	77.7	Confident	163 Å²	163	80.5 Å²	80.5	76%	0.755	45%	0.446	S	S	*	.			trans	-74.5	48.5	176.8	-56.9	-70	0	0	0	112.6	N43 L44	N43-H46 PolarHBondContact O-CE1 3.14Å; N43-H46 PolarHBondContact O-ND1 3.01Å; N43-H46 PolarHBondContact O-NE2 2.81Å; L44-H46 PolarHBondContact O-N 3.32Å
47	Y	66.3	Low	77.2	Confident	63 Å²	63	75.8 Å²	75.8	25%	0.247	42%	0.424	C	S	.	.			trans	-69.4	142.5	174.9	-59.6	-55	0	0	0	109.6	F45 T49 E62 F63 H66	F45-Y47 HydrophobicContact CB-CD2 3.8Å; F45-Y47 HydrophobicContact CB-CE2 3.62Å; F45-Y47 HydrophobicContact CD1-CD2 4.42Å; F45-Y47 AromaticContact CD1-CE2 3.41Å; F45-Y47 HydrophobicContact CD1-CE2 3.41Å; F45-Y47 VanDerWaalsContact CD1-CE2 3.41Å; F45-Y47 AromaticContact CD1-CZ 3.71Å; F45-Y47 WeakPolarHBondContact CD1-OH 3.44Å; F45-Y47 HydrophobicContact CE1-CE2 4.44Å; F45-Y47 AromaticContact CG-CE2 3.92Å; F45-Y47 HydrophobicContact CG-CE2 3.92Å; F45-Y47 PolarHBondContact O-N 3.42Å; Y47-T49 PolarHBondContact O-N 3.15Å; Y47-E62 HydrophobicContact CD1-CB 3.31Å; Y47-E62 HydrophobicContact CD1-CG 4.04Å; Y47-E62 HydrophobicContact CD2-CB 4.29Å; Y47-E62 HydrophobicContact CE1-CB 3.65Å; Y47-E62 HydrophobicContact CG-CB 3.67Å; Y47-E62 HydrophobicContact CG-CG 4.47Å; Y47-F63 HydrophobicContact CD2-CB 4.39Å; Y47-F63 HydrophobicContact CD2-CD2 4.44Å; Y47-F63 HydrophobicContact CE2-CB 4.03Å; Y47-F63 AromaticContact CE2-CD2 3.78Å; Y47-F63 HydrophobicContact CE2-CD2 3.78Å; Y47-F63 HydrophobicContact CE2-CG 4.39Å; Y47-H66 VanDerWaalsContact OH-CB 3.28Å; Y47-H66 WeakPolarHBondContact OH-CB 3.26Å
48	N	52.7	Low	76.8	Confident	171 Å²	171	72.7 Å²	72.7	91%	0.914	41%	0.409	S	S	*	.	S	Bend	trans	-65.1	11.3	-178.8	-94.2	-11.5	0	0	0	114.2
49	T	53	Low	76.5	Confident	53 Å²	53	73.8 Å²	73.8	33%	0.325	42%	0.421	S	S	.	.	S	Bend	trans	-101.4	120.3	178.5	45.4	0	0	0	0	109.4	Y47 C51	Y47-T49 PolarHBondContact O-N 3.15Å; T49-C51 VanDerWaalsContact C-N 3.27Å; T49-C51 PolarHBondContact O-N 2.98Å
50	N	57.9	Low	76.4	Confident	174 Å²	174	70.5 Å²	70.5	93%	0.93	40%	0.4	S	S	*	.			trans	-59.4	88.1	167	-73.8	-22.3	0	0	0	109.4	G52	N50-G52 PolarHBondContact O-N 3.43Å
51	C	63.1	Low	76.5	Confident	45 Å²	45	72 Å²	72	30%	0.304	41%	0.405	S	S	.	.			trans	-71.9	115.3	171.5	-63.9	0	0	0	0	109.2	T49 C57	T49-C51 VanDerWaalsContact C-N 3.27Å; T49-C51 PolarHBondContact O-N 2.98Å; C51-C57 HydrophobicContact CB-CB 3.84Å; C51-C57 WeakPolarHBondContact CB-SG 3.4Å; C51-C57 WeakPolarHBondContact SG-CA 3.47Å; C51-C57 WeakPolarHBondContact SG-CB 3.49Å; C51-C57 CovalentContact SG-SG 2.04Å; C51-C57 PolarHBondContact SG-SG 2.94Å
52	G	65.6	Low	76.4	Confident	69 Å²	69	75 Å²	75	71%	0.711	42%	0.418	S	S	*	.	S	Bend	trans	-76.4	-28.9	172.2	0	0	0	0	0	112.5	N50	N50-G52 PolarHBondContact O-N 3.43Å
53	T	77.4	Confident	76.6	Confident	74 Å²	74	73.3 Å²	73.3	45%	0.454	41%	0.409	S	S	.	.	S	Bend	trans	-142.5	166.8	-178.6	68.6	0	0	0	0	112.1	Q55 D56 C57	T53-Q55 PolarHBondContact O-N 3.26Å; T53-Q55 PolarHBondContact OG1-N 3.03Å; T53-D56 PolarHBondContact N-OD2 3.3Å; T53-D56 PolarHBondContact O-N 2.89Å; T53-D56 PolarHBondContact OG1-N 3.37Å; T53-D56 PolarHBondContact OG1-OD2 2.76Å; T53-C57 PolarHBondContact O-N 3.1Å
54	I	76.3	Confident	76.9	Confident	62 Å²	62	70.4 Å²	70.4	32%	0.318	39%	0.394	S	S	.	.	H	α-helix	trans	-55.6	-42.8	172.1	-64.3	174.3	0	0	0	110.3	F35 L42 D56 C57 L58	F35-I54 HydrophobicContact CB-CD1 4.28Å; F35-I54 HydrophobicContact CB-CG2 4.14Å; F35-I54 HydrophobicContact CD2-CG2 4.18Å; L42-I54 HydrophobicContact CD2-CG1 4.16Å; I54-D56 VanDerWaalsContact C-N 3.34Å; I54-D56 PolarHBondContact O-N 3.39Å; I54-C57 WeakPolarHBondContact O-CB 3.32Å; I54-C57 PolarHBondContact O-N 3Å; I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.15Å; I54-L58 WeakPolarHBondContact O-CG 3.23Å; I54-L58 PolarHBondContact O-N 2.95Å
55	Q	78.9	Confident	77.3	Confident	110 Å²	110	71.6 Å²	71.6	51%	0.514	40%	0.4	S	S	.	.	H	α-helix	trans	-64.3	-38.1	-178	-172.4	58.8	42.8	0	0	112.6	T53 C57 L58 S59	T53-Q55 PolarHBondContact O-N 3.26Å; T53-Q55 PolarHBondContact OG1-N 3.03Å; Q55-C57 VanDerWaalsContact C-N 3.32Å; Q55-L58 PolarHBondContact O-N 3.02Å; Q55-S59 PolarHBondContact NE2-OG 2.97Å; Q55-S59 WeakPolarHBondContact O-CB 3.44Å; Q55-S59 PolarHBondContact O-N 3.18Å; Q55-S59 PolarHBondContact O-OG 3.17Å
56	D	80.9	Confident	77.8	Confident	84 Å²	84	71.8 Å²	71.8	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-42.9	175.8	-58.6	-37.8	0	0	0	110.6	T53 I54 S59 S60	T53-D56 PolarHBondContact N-OD2 3.3Å; T53-D56 PolarHBondContact O-N 2.89Å; T53-D56 PolarHBondContact OG1-N 3.37Å; T53-D56 PolarHBondContact OG1-OD2 2.76Å; I54-D56 VanDerWaalsContact C-N 3.34Å; I54-D56 PolarHBondContact O-N 3.39Å; D56-S59 PolarHBondContact O-N 2.94Å; D56-S60 PolarHBondContact O-N 3.12Å
57	C	81.5	Confident	79	Confident	6 Å²	6	64 Å²	64	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-47.9	176.8	-107.7	0	0	0	0	112.5	L42 C51 T53 I54 Q55 S59 S60 F63	L42-C57 HydrophobicContact CD1-CB 3.99Å; C51-C57 HydrophobicContact CB-CB 3.84Å; C51-C57 WeakPolarHBondContact CB-SG 3.4Å; C51-C57 WeakPolarHBondContact SG-CA 3.47Å; C51-C57 WeakPolarHBondContact SG-CB 3.49Å; C51-C57 CovalentContact SG-SG 2.04Å; C51-C57 PolarHBondContact SG-SG 2.94Å; T53-C57 PolarHBondContact O-N 3.1Å; I54-C57 WeakPolarHBondContact O-CB 3.32Å; I54-C57 PolarHBondContact O-N 3Å; Q55-C57 VanDerWaalsContact C-N 3.32Å; C57-S59 PolarHBondContact O-N 3.14Å; C57-S59 VanDerWaalsContact O-N 3.14Å; C57-S60 PolarHBondContact O-N 3.27Å; C57-S60 VanDerWaalsContact O-N 3.13Å; C57-S60 PolarHBondContact O-OG 3.32Å; C57-F63 WeakPolarHBondContact O-CB 3.37Å; C57-F63 WeakPolarHBondContact O-CG 3.45Å
58	L	85.4	Confident	80.5	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-22.8	178.2	-68.3	177.1	0	0	0	113.4	V28 F31 F35 I54 Q55 F63 L64	V28-L58 HydrophobicContact CG1-CB 4.31Å; V28-L58 HydrophobicContact CG1-CD1 4.44Å; F31-L58 HydrophobicContact CB-CD2 3.74Å; F35-L58 HydrophobicContact CD2-CD2 3.99Å; F35-L58 HydrophobicContact CE2-CD2 3.87Å; I54-L58 HydrophobicContact CG2-CD1 3.91Å; I54-L58 HydrophobicContact CG2-CG 4.15Å; I54-L58 WeakPolarHBondContact O-CG 3.23Å; I54-L58 PolarHBondContact O-N 2.95Å; Q55-L58 PolarHBondContact O-N 3.02Å; L58-F63 HydrophobicContact CD2-CD1 4Å; L58-F63 HydrophobicContact CD2-CE1 3.29Å; L58-F63 HydrophobicContact CD2-CE2 4.47Å; L58-F63 HydrophobicContact CD2-CZ 3.61Å; L58-F63 HydrophobicContact CG-CE1 4.5Å; L58-L64 WeakPolarHBondContact O-CD2 3.42Å
59	S	86.1	Confident	82.6	Confident	71 Å²	71	60.8 Å²	60.8	50%	0.497	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.7	-178.3	-49.8	0	0	0	0	113.2	Q55 D56 C57	Q55-S59 PolarHBondContact NE2-OG 2.97Å; Q55-S59 WeakPolarHBondContact O-CB 3.44Å; Q55-S59 PolarHBondContact O-N 3.18Å; Q55-S59 PolarHBondContact O-OG 3.17Å; D56-S59 PolarHBondContact O-N 2.94Å; C57-S59 PolarHBondContact O-N 3.14Å; C57-S59 VanDerWaalsContact O-N 3.14Å
60	S	88.4	Confident	84.6	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.07	34%	0.342	C	S	.	.	S	Bend	trans	-68.8	143.1	179.5	67.1	0	0	0	0	111.7	D56 C57 E62 F63 L64	D56-S60 PolarHBondContact O-N 3.12Å; C57-S60 PolarHBondContact O-N 3.27Å; C57-S60 VanDerWaalsContact O-N 3.13Å; C57-S60 PolarHBondContact O-OG 3.32Å; S60-E62 VanDerWaalsContact C-N 3.27Å; S60-E62 PolarHBondContact O-N 3.09Å; S60-F63 PolarHBondContact O-N 3.26Å; S60-F63 WeakPolarHBondContact OG-CB 3.47Å; S60-F63 PolarHBondContact OG-N 2.83Å; S60-L64 WeakPolarHBondContact O-CG 3.36Å; S60-L64 PolarHBondContact O-N 3.29Å
61	P	89.8	Confident	86.6	Confident	96 Å²	96	51.7 Å²	51.7	62%	0.623	30%	0.299	S	S	*	.	H	α-helix	trans	-55.6	-40.2	178.8	-26.6	35.3	0	0	0	113.6	L64 D65	P61-L64 PolarHBondContact O-N 3.45Å; P61-D65 PolarHBondContact O-N 3.49Å
62	E	88.4	Confident	88.2	Confident	78 Å²	78	54.8 Å²	54.8	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-39.8	-179.8	-61	78.1	-176.3	0	0	111.6	Y47 S60 D65 H66	Y47-E62 HydrophobicContact CD1-CB 3.31Å; Y47-E62 HydrophobicContact CD1-CG 4.04Å; Y47-E62 HydrophobicContact CD2-CB 4.29Å; Y47-E62 HydrophobicContact CE1-CB 3.65Å; Y47-E62 HydrophobicContact CG-CB 3.67Å; Y47-E62 HydrophobicContact CG-CG 4.47Å; S60-E62 VanDerWaalsContact C-N 3.27Å; S60-E62 PolarHBondContact O-N 3.09Å; E62-D65 PolarHBondContact O-N 2.81Å; E62-H66 PolarHBondContact O-N 3.35Å
63	F	90.5	Very high	89.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-44.1	174.7	-167.1	-86.4	0	0	0	111.4	F31 F35 F45 Y47 C57 L58 S60 D65 H66 V67	F31-F63 HydrophobicContact CB-CE1 3.79Å; F31-F63 HydrophobicContact CB-CZ 3.65Å; F31-F63 HydrophobicContact CD1-CE1 4.33Å; F31-F63 HydrophobicContact CD1-CE2 4.4Å; F31-F63 AromaticContact CD1-CZ 3.53Å; F31-F63 HydrophobicContact CD1-CZ 3.53Å; F31-F63 HydrophobicContact CD2-CE1 4.22Å; F31-F63 HydrophobicContact CD2-CZ 4.18Å; F31-F63 HydrophobicContact CE1-CZ 4.16Å; F31-F63 AromaticContact CG-CE1 3.87Å; F31-F63 HydrophobicContact CG-CE1 3.87Å; F31-F63 AromaticContact CG-CZ 3.52Å; F31-F63 HydrophobicContact CG-CZ 3.52Å; F35-F63 AromaticContact CE2-CE2 3.55Å; F35-F63 HydrophobicContact CE2-CE2 3.55Å; F35-F63 AromaticContact CE2-CZ 3.46Å; F35-F63 HydrophobicContact CE2-CZ 3.46Å; F35-F63 VanDerWaalsContact CE2-CZ 3.46Å; F35-F63 AromaticContact CZ-CE2 3.66Å; F35-F63 HydrophobicContact CZ-CE2 3.66Å; F35-F63 AromaticContact CZ-CZ 3.82Å; F35-F63 HydrophobicContact CZ-CZ 3.82Å; F45-F63 HydrophobicContact CD1-CD2 4.18Å; F45-F63 HydrophobicContact CD1-CE2 4.03Å; F45-F63 HydrophobicContact CD2-CE2 4.37Å; F45-F63 HydrophobicContact CE1-CD2 4.48Å; F45-F63 AromaticContact CE1-CE2 3.99Å; F45-F63 HydrophobicContact CE1-CE2 3.99Å; F45-F63 HydrophobicContact CE2-CE2 4.38Å; F45-F63 HydrophobicContact CG-CD2 4.41Å; F45-F63 HydrophobicContact CG-CE2 4.18Å; F45-F63 HydrophobicContact CZ-CE2 4.16Å; Y47-F63 HydrophobicContact CD2-CB 4.39Å; Y47-F63 HydrophobicContact CD2-CD2 4.44Å; Y47-F63 HydrophobicContact CE2-CB 4.03Å; Y47-F63 AromaticContact CE2-CD2 3.78Å; Y47-F63 HydrophobicContact CE2-CD2 3.78Å; Y47-F63 HydrophobicContact CE2-CG 4.39Å; C57-F63 WeakPolarHBondContact O-CB 3.37Å; C57-F63 WeakPolarHBondContact O-CG 3.45Å; L58-F63 HydrophobicContact CD2-CD1 4Å; L58-F63 HydrophobicContact CD2-CE1 3.29Å; L58-F63 HydrophobicContact CD2-CE2 4.47Å; L58-F63 HydrophobicContact CD2-CZ 3.61Å; L58-F63 HydrophobicContact CG-CE1 4.5Å; S60-F63 PolarHBondContact O-N 3.26Å; S60-F63 WeakPolarHBondContact OG-CB 3.47Å; S60-F63 PolarHBondContact OG-N 2.83Å; F63-D65 VanDerWaalsContact C-N 3.26Å; F63-D65 PolarHBondContact O-N 3.24Å; F63-H66 CarbonylContact O-C 3.07Å; F63-H66 WeakPolarHBondContact O-CA 3.49Å; F63-H66 WeakPolarHBondContact O-CB 3.28Å; F63-H66 PolarHBondContact O-N 2.92Å; F63-V67 HydrophobicContact CD1-CG2 3.55Å; F63-V67 HydrophobicContact CE1-CG2 3.29Å; F63-V67 HydrophobicContact CZ-CG2 4.25Å; F63-V67 WeakPolarHBondContact O-CG2 3.44Å; F63-V67 PolarHBondContact O-N 3.24Å
64	L	93.3	Very high	90.6	Very high	55 Å²	55	50.2 Å²	50.2	29%	0.288	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-32.6	177.7	-68.3	175.5	0	0	0	112.6	V24 V28 L58 S60 P61 V67 T68	V24-L64 HydrophobicContact CG1-CD2 4.03Å; V28-L64 HydrophobicContact CG2-CD2 3.7Å; L58-L64 WeakPolarHBondContact O-CD2 3.42Å; S60-L64 WeakPolarHBondContact O-CG 3.36Å; S60-L64 PolarHBondContact O-N 3.29Å; P61-L64 PolarHBondContact O-N 3.45Å; L64-V67 PolarHBondContact O-N 3.35Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 PolarHBondContact O-N 3.47Å; L64-T68 PolarHBondContact O-OG1 2.79Å
65	D	94.1	Very high	91.6	Very high	78 Å²	78	50.2 Å²	50.2	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-42.5	170.2	175.3	64.9	0	0	0	111.5	P61 E62 F63 T68 K69	P61-D65 PolarHBondContact O-N 3.49Å; E62-D65 PolarHBondContact O-N 2.81Å; F63-D65 VanDerWaalsContact C-N 3.26Å; F63-D65 PolarHBondContact O-N 3.24Å; D65-T68 WeakPolarHBondContact O-CB 3.35Å; D65-T68 PolarHBondContact O-N 3.22Å; D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3.08Å; D65-K69 IonicContact OD1-NZ 2.99Å; D65-K69 WeakPolarHBondContact OD2-CE 3.23Å; D65-K69 IonicContact OD2-NZ 2.71Å; D65-K69 PolarHBondContact OD2-NZ 3.15Å
66	H	93.7	Very high	92.5	Very high	44 Å²	44	46.3 Å²	46.3	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-45.4	173	-174.8	82.1	0	0	0	112.5	F31 F45 Y47 E62 F63 T68 K69 V70	F31-H66 AromaticContact CZ-CD2 3.51Å; F31-H66 AromaticContact CZ-NE2 3.62Å; F45-H66 AromaticContact CE1-CD2 3.61Å; F45-H66 AromaticContact CE1-CG 3.96Å; F45-H66 AromaticContact CE1-NE2 3.76Å; F45-H66 AromaticContact CZ-NE2 3.99Å; Y47-H66 VanDerWaalsContact OH-CB 3.28Å; Y47-H66 WeakPolarHBondContact OH-CB 3.26Å; E62-H66 PolarHBondContact O-N 3.35Å; F63-H66 CarbonylContact O-C 3.07Å; F63-H66 WeakPolarHBondContact O-CA 3.49Å; F63-H66 WeakPolarHBondContact O-CB 3.28Å; F63-H66 PolarHBondContact O-N 2.92Å; H66-T68 VanDerWaalsContact C-N 3.27Å; H66-T68 PolarHBondContact O-N 3.11Å; H66-K69 WeakPolarHBondContact O-CB 3.45Å; H66-K69 PolarHBondContact O-N 3.42Å; H66-K69 VanDerWaalsContact O-N 3.15Å; H66-V70 WeakPolarHBondContact O-CG2 3.25Å; H66-V70 PolarHBondContact O-N 3.06Å
67	V	96.1	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-45.5	174.4	178.5	0	0	0	0	110.6	V24 F31 F63 L64 K69 V70 M71	V24-V67 HydrophobicContact CG1-CG1 4.26Å; F31-V67 HydrophobicContact CD2-CB 4.46Å; F31-V67 HydrophobicContact CD2-CG1 4.46Å; F31-V67 HydrophobicContact CD2-CG2 3.67Å; F31-V67 HydrophobicContact CE2-CG2 4.03Å; F31-V67 HydrophobicContact CG-CG2 4.44Å; F63-V67 HydrophobicContact CD1-CG2 3.55Å; F63-V67 HydrophobicContact CE1-CG2 3.29Å; F63-V67 HydrophobicContact CZ-CG2 4.25Å; F63-V67 WeakPolarHBondContact O-CG2 3.44Å; F63-V67 PolarHBondContact O-N 3.24Å; L64-V67 PolarHBondContact O-N 3.35Å; V67-K69 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 3.36Å; V67-V70 PolarHBondContact O-N 3.36Å; V67-M71 HydrophobicContact CG1-CG 4.34Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.19Å
68	T	97.3	Very high	94	Very high	51 Å²	51	42.6 Å²	42.6	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-58	-46.7	177.7	-59.2	0	0	0	0	111.2	V24 L64 D65 H66 V70 M71 L72	V24-T68 HydrophobicContact CG2-CG2 4.49Å; V24-T68 WeakPolarHBondContact CG2-OG1 3.49Å; L64-T68 WeakPolarHBondContact O-CB 3.45Å; L64-T68 PolarHBondContact O-N 3.47Å; L64-T68 PolarHBondContact O-OG1 2.79Å; D65-T68 WeakPolarHBondContact O-CB 3.35Å; D65-T68 PolarHBondContact O-N 3.22Å; H66-T68 VanDerWaalsContact C-N 3.27Å; H66-T68 PolarHBondContact O-N 3.11Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.43Å; T68-M71 PolarHBondContact O-N 3.17Å; T68-L72 HydrophobicContact CG2-CD1 4.21Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.4Å
69	K	96.5	Very high	94.5	Very high	116 Å²	116	46 Å²	46	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-42.8	177	-71.6	166.9	-179	163.8	0	112.2	D65 H66 V67 L72 V73	D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3.08Å; D65-K69 IonicContact OD1-NZ 2.99Å; D65-K69 WeakPolarHBondContact OD2-CE 3.23Å; D65-K69 IonicContact OD2-NZ 2.71Å; D65-K69 PolarHBondContact OD2-NZ 3.15Å; H66-K69 WeakPolarHBondContact O-CB 3.45Å; H66-K69 PolarHBondContact O-N 3.42Å; H66-K69 VanDerWaalsContact O-N 3.15Å; V67-K69 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 3.36Å; K69-L72 PolarHBondContact O-N 2.89Å; K69-V73 WeakPolarHBondContact O-CG2 3.43Å; K69-V73 PolarHBondContact O-N 2.84Å
70	V	96.2	Very high	94.9	Very high	30 Å²	30	46.5 Å²	46.5	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-44.3	177	176.6	0	0	0	0	111.1	F31 H66 V67 T68 L72 V73 I74	F31-V70 HydrophobicContact CE2-CB 4.27Å; F31-V70 HydrophobicContact CE2-CG1 4.45Å; F31-V70 HydrophobicContact CE2-CG2 4.08Å; F31-V70 HydrophobicContact CZ-CG2 3.95Å; H66-V70 WeakPolarHBondContact O-CG2 3.25Å; H66-V70 PolarHBondContact O-N 3.06Å; V67-V70 PolarHBondContact O-N 3.36Å; T68-V70 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.43Å; V70-L72 VanDerWaalsContact C-N 3.28Å; V70-L72 PolarHBondContact O-N 3.11Å; V70-V73 PolarHBondContact O-N 3.36Å; V70-V73 VanDerWaalsContact O-N 3.14Å; V70-I74 HydrophobicContact CG1-CD1 4.1Å; V70-I74 WeakPolarHBondContact O-CG1 3.46Å; V70-I74 PolarHBondContact O-N 2.88Å
71	M	98.1	Very high	95.2	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-37	177.1	-65.9	-57.1	102	0	0	112	W16 K23 M30 V67 T68 I74 D75	W16-M71 HydrophobicContact CH2-SD 3.99Å; K23-M71 HydrophobicContact CB-CB 3.77Å; K23-M71 HydrophobicContact CB-CG 3.77Å; K23-M71 HydrophobicContact CB-SD 4.04Å; M30-M71 HydrophobicContact SD-CE 3.98Å; V67-M71 HydrophobicContact CG1-CG 4.34Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.19Å; T68-M71 PolarHBondContact O-N 3.17Å; M71-I74 HydrophobicContact CE-CD1 3.65Å; M71-I74 PolarHBondContact O-N 2.87Å; M71-I74 HydrophobicContact SD-CD1 4.41Å; M71-D75 WeakPolarHBondContact O-CB 3.26Å; M71-D75 PolarHBondContact O-N 3.5Å
72	L	97.4	Very high	95.3	Very high	109 Å²	109	45.5 Å²	45.5	57%	0.571	24%	0.244	S	C	*	.	H	α-helix	trans	-67	-36	174.2	-71.6	171.9	0	0	0	112.9	T68 K69 V70 D75 A76	T68-L72 HydrophobicContact CG2-CD1 4.21Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 3.4Å; K69-L72 PolarHBondContact O-N 2.89Å; V70-L72 VanDerWaalsContact C-N 3.28Å; V70-L72 PolarHBondContact O-N 3.11Å; L72-D75 PolarHBondContact O-N 3.43Å; L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.01Å
73	V	96.4	Very high	95.4	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-42.3	174.1	170.7	0	0	0	0	111	K69 V70 A76 A77 F90 L91 L94	K69-V73 WeakPolarHBondContact O-CG2 3.43Å; K69-V73 PolarHBondContact O-N 2.84Å; V70-V73 PolarHBondContact O-N 3.36Å; V70-V73 VanDerWaalsContact O-N 3.14Å; V73-A76 PolarHBondContact O-N 3.4Å; V73-A77 PolarHBondContact O-N 3.45Å; V73-F90 HydrophobicContact CG1-CE1 4.25Å; V73-F90 HydrophobicContact CG2-CE1 3.97Å; V73-F90 HydrophobicContact CG2-CZ 3.88Å; V73-L91 HydrophobicContact CG1-CD2 4.32Å; V73-L94 HydrophobicContact CG1-CD2 3.99Å; V73-L94 HydrophobicContact CG2-CD2 4.13Å
74	I	97.5	Very high	95.2	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-43.9	175.5	-64.7	163.3	0	0	0	110.3	W16 V70 M71 A76 A77 V78 L115 W135	W16-I74 HydrophobicContact CD2-CG2 4.47Å; W16-I74 HydrophobicContact CE3-CG2 4.24Å; W16-I74 HydrophobicContact CH2-CB 4.02Å; W16-I74 HydrophobicContact CH2-CG2 3.56Å; W16-I74 HydrophobicContact CZ2-CB 4.17Å; W16-I74 HydrophobicContact CZ2-CG2 3.81Å; W16-I74 HydrophobicContact CZ3-CG2 3.8Å; V70-I74 HydrophobicContact CG1-CD1 4.1Å; V70-I74 WeakPolarHBondContact O-CG1 3.46Å; V70-I74 PolarHBondContact O-N 2.88Å; M71-I74 HydrophobicContact CE-CD1 3.65Å; M71-I74 PolarHBondContact O-N 2.87Å; M71-I74 HydrophobicContact SD-CD1 4.41Å; I74-A76 VanDerWaalsContact C-N 3.32Å; I74-A76 PolarHBondContact O-N 2.75Å; I74-A77 WeakPolarHBondContact O-CB 3.47Å; I74-A77 PolarHBondContact O-N 2.7Å; I74-A77 VanDerWaalsContact O-N 3.13Å; I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 3.19Å; I74-L115 HydrophobicContact CD1-CD1 3.91Å; I74-W135 HydrophobicContact CG2-CH2 4.14Å; I74-W135 HydrophobicContact CG2-CZ3 3.87Å
75	D	97.7	Very high	94.9	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-60	-41.8	176.7	-168.1	76	0	0	0	112.2	W16 M71 L72 A77 V78 S79	W16-D75 HydrophobicContact CZ2-CB 4.27Å; W16-D75 PolarHBondContact NE1-OD1 3.42Å; M71-D75 WeakPolarHBondContact O-CB 3.26Å; M71-D75 PolarHBondContact O-N 3.5Å; L72-D75 PolarHBondContact O-N 3.43Å; D75-A77 PolarHBondContact O-N 3.29Å; D75-V78 PolarHBondContact O-N 3.3Å; D75-S79 WeakPolarHBondContact O-CB 3.28Å; D75-S79 PolarHBondContact O-N 3.34Å; D75-S79 PolarHBondContact O-OG 3.47Å
76	A	96.6	Very high	94.7	Very high	28 Å²	28	52.1 Å²	52.1	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-43.2	173.7	0	0	0	0	0	111.5	L72 V73 I74 S79 H80 L87	L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.01Å; V73-A76 PolarHBondContact O-N 3.4Å; I74-A76 VanDerWaalsContact C-N 3.32Å; I74-A76 PolarHBondContact O-N 2.75Å; A76-S79 PolarHBondContact O-N 2.87Å; A76-H80 PolarHBondContact O-N 2.97Å; A76-H80 PolarHBondContact O-ND1 3Å; A76-L87 HydrophobicContact CB-CD1 4.48Å
77	A	96.3	Very high	94.7	Very high	3 Å²	3	51 Å²	51	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.9	0	0	0	0	0	112.2	V73 I74 D75 S79 H80 L81 L84 L87 M138 V142	V73-A77 PolarHBondContact O-N 3.45Å; I74-A77 WeakPolarHBondContact O-CB 3.47Å; I74-A77 PolarHBondContact O-N 2.7Å; I74-A77 VanDerWaalsContact O-N 3.13Å; D75-A77 PolarHBondContact O-N 3.29Å; A77-S79 VanDerWaalsContact C-N 3.32Å; A77-S79 PolarHBondContact O-N 3.01Å; A77-H80 CarbonylContact O-C 3.58Å; A77-H80 PolarHBondContact O-N 2.85Å; A77-L81 PolarHBondContact O-N 3.35Å; A77-L84 HydrophobicContact CB-CD2 4.25Å; A77-L84 WeakPolarHBondContact O-CD2 3.4Å; A77-L87 HydrophobicContact CB-CD1 4.39Å; A77-M138 HydrophobicContact CB-SD 4.42Å; A77-V142 HydrophobicContact CB-CG2 4.16Å
78	V	97.5	Very high	94.5	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-40.6	175.7	175.1	0	0	0	0	111.3	I12 R13 W16 I74 D75 H80 L81 W135 M138	I12-V78 HydrophobicContact CG2-CB 4.47Å; I12-V78 HydrophobicContact CG2-CG1 4.2Å; I12-V78 HydrophobicContact CG2-CG2 3.79Å; R13-V78 HydrophobicContact CG-CG1 4.24Å; W16-V78 HydrophobicContact CB-CG1 4.03Å; W16-V78 HydrophobicContact CB-CG2 4.24Å; W16-V78 HydrophobicContact CD2-CG2 4.27Å; W16-V78 HydrophobicContact CG-CB 4.38Å; W16-V78 HydrophobicContact CG-CG1 4.11Å; W16-V78 HydrophobicContact CG-CG2 3.93Å; I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.36Å; I74-V78 PolarHBondContact O-N 3.19Å; D75-V78 PolarHBondContact O-N 3.3Å; V78-H80 VanDerWaalsContact C-N 3.27Å; V78-H80 PolarHBondContact O-N 3.21Å; V78-L81 HydrophobicContact CG1-CD1 4.28Å; V78-L81 VanDerWaalsContact O-CD1 3.29Å; V78-L81 WeakPolarHBondContact O-CD1 3.49Å; V78-L81 WeakPolarHBondContact O-CG 3.38Å; V78-W135 HydrophobicContact CG2-CH2 3.79Å; V78-W135 HydrophobicContact CG2-CZ3 4.26Å; V78-M138 HydrophobicContact CG2-SD 4.28Å
79	S	95.9	Very high	94.3	Very high	74 Å²	74	57 Å²	57	52%	0.517	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-28.1	178.6	-62.9	0	0	0	0	112.9	D75 A76 A77	D75-S79 WeakPolarHBondContact O-CB 3.28Å; D75-S79 PolarHBondContact O-N 3.34Å; D75-S79 PolarHBondContact O-OG 3.47Å; A76-S79 PolarHBondContact O-N 2.87Å; A77-S79 VanDerWaalsContact C-N 3.32Å; A77-S79 PolarHBondContact O-N 3.01Å
80	H	95.4	Very high	94.2	Very high	80 Å²	80	56.2 Å²	56.2	37%	0.37	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	22	-177.6	-63.9	79.5	0	0	0	113.3	A76 A77 V78 D82 N83 L84 T86 L87	A76-H80 PolarHBondContact O-N 2.97Å; A76-H80 PolarHBondContact O-ND1 3Å; A77-H80 CarbonylContact O-C 3.58Å; A77-H80 PolarHBondContact O-N 2.85Å; V78-H80 VanDerWaalsContact C-N 3.27Å; V78-H80 PolarHBondContact O-N 3.21Å; H80-D82 PolarHBondContact O-N 2.89Å; H80-N83 CarbonylContact O-C 3.51Å; H80-N83 WeakPolarHBondContact O-CA 3.39Å; H80-N83 PolarHBondContact O-N 2.92Å; H80-L84 WeakPolarHBondContact O-CA 3.38Å; H80-L84 PolarHBondContact O-N 3.28Å; H80-T86 PolarHBondContact CD2-OG1 3.37Å; H80-L87 HydrophobicContact CB-CD1 4.01Å; H80-L87 HydrophobicContact CB-CG 4.23Å
81	L	94.7	Very high	94.1	Very high	6 Å²	6	55 Å²	55	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.5	-178	-74	167.4	0	0	0	114.6	L4 K9 I12 R13 A77 V78 N83 L84 M138	L4-L81 HydrophobicContact CD1-CD2 3.53Å; K9-L81 HydrophobicContact CB-CB 4.36Å; K9-L81 HydrophobicContact CB-CD1 4.24Å; K9-L81 HydrophobicContact CD-CB 4.28Å; K9-L81 WeakPolarHBondContact CE-O 3.43Å; K9-L81 HydrophobicContact CG-CB 4.04Å; I12-L81 HydrophobicContact CB-CD1 3.95Å; I12-L81 HydrophobicContact CD1-CD1 4.45Å; I12-L81 HydrophobicContact CD1-CD2 4.04Å; I12-L81 HydrophobicContact CG2-CD1 3.77Å; I12-L81 HydrophobicContact CG2-CD2 4.4Å; R13-L81 HydrophobicContact CG-CD1 3.84Å; A77-L81 PolarHBondContact O-N 3.35Å; V78-L81 HydrophobicContact CG1-CD1 4.28Å; V78-L81 VanDerWaalsContact O-CD1 3.29Å; V78-L81 WeakPolarHBondContact O-CD1 3.49Å; V78-L81 WeakPolarHBondContact O-CG 3.38Å; L81-N83 VanDerWaalsContact C-N 3.34Å; L81-L84 HydrophobicContact CD2-CD1 4.44Å; L81-M138 HydrophobicContact CD2-CG 3.76Å; L81-M138 HydrophobicContact CD2-SD 3.86Å
82	D	92.9	Very high	93.9	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-27.3	176.1	-65.1	-45.9	0	0	0	113.1	K9 R13 H80	K9-D82 WeakPolarHBondContact CD-OD1 3.36Å; K9-D82 IonicContact NZ-OD1 3.58Å; K9-D82 PolarHBondContact NZ-OD1 3.43Å; R13-D82 IonicContact CZ-OD2 3.24Å; R13-D82 IonicContact NH1-OD2 3.19Å; R13-D82 VanDerWaalsContact NH2-CG 3.32Å; R13-D82 IonicContact NH2-OD1 2.6Å; R13-D82 IonicContact NH2-OD2 2.67Å; R13-D82 PolarHBondContact NH2-OD2 3.47Å; H80-D82 PolarHBondContact O-N 2.89Å
83	N	88.6	Confident	93.8	Very high	106 Å²	106	55 Å²	55	57%	0.567	30%	0.295	S	S	*	.			trans	-138.2	47.6	-172.2	-67.3	-50.6	0	0	0	111.5	H80 L81 H85 T86	H80-N83 CarbonylContact O-C 3.51Å; H80-N83 WeakPolarHBondContact O-CA 3.39Å; H80-N83 PolarHBondContact O-N 2.92Å; L81-N83 VanDerWaalsContact C-N 3.34Å; N83-H85 PolarHBondContact O-N 2.96Å; N83-T86 HydrophobicContact CB-CG2 3.98Å; N83-T86 WeakPolarHBondContact O-CB 3.35Å; N83-T86 WeakPolarHBondContact O-CG2 3.03Å; N83-T86 PolarHBondContact O-N 3.21Å; N83-T86 PolarHBondContact O-OG1 2.96Å
84	L	87.3	Confident	93.7	Very high	19 Å²	19	55.1 Å²	55.1	10%	0.099	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-56.3	-25.9	-176.9	-79	174.1	0	0	0	113.3	L4 A77 H80 L81 T86 L87 I141	L4-L84 HydrophobicContact CD1-CD1 4.16Å; A77-L84 HydrophobicContact CB-CD2 4.25Å; A77-L84 WeakPolarHBondContact O-CD2 3.4Å; H80-L84 WeakPolarHBondContact O-CA 3.38Å; H80-L84 PolarHBondContact O-N 3.28Å; L81-L84 HydrophobicContact CD2-CD1 4.44Å; L84-T86 PolarHBondContact O-N 2.97Å; L84-L87 HydrophobicContact CD2-CD1 4.44Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 2.97Å; L84-I141 HydrophobicContact CD1-CD1 4.33Å; L84-I141 HydrophobicContact CD1-CG2 3.95Å
85	H	86.1	Confident	93.6	Very high	132 Å²	132	54.3 Å²	54.3	61%	0.611	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-58	-27.9	175.1	-176.2	50.4	0	0	0	113.2	N83 L87 E88	N83-H85 PolarHBondContact O-N 2.96Å; H85-L87 PolarHBondContact O-N 3.47Å; H85-E88 IonicContact CE1-OE2 2.65Å; H85-E88 PolarHBondContact CE1-OE2 3.03Å; H85-E88 IonicContact CG-OE2 3.62Å; H85-E88 IonicContact ND1-OE2 2.77Å; H85-E88 PolarHBondContact ND1-OE2 3.47Å; H85-E88 WeakPolarHBondContact O-CB 3.49Å; H85-E88 PolarHBondContact O-N 3.33Å
86	T	91.4	Very high	93.4	Very high	92 Å²	92	56.4 Å²	56.4	56%	0.564	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.3	175.6	59.8	0	0	0	0	113.2	H80 N83 L84	H80-T86 PolarHBondContact CD2-OG1 3.37Å; N83-T86 HydrophobicContact CB-CG2 3.98Å; N83-T86 WeakPolarHBondContact O-CB 3.35Å; N83-T86 WeakPolarHBondContact O-CG2 3.03Å; N83-T86 PolarHBondContact O-N 3.21Å; N83-T86 PolarHBondContact O-OG1 2.96Å; L84-T86 PolarHBondContact O-N 2.97Å
87	L	93	Very high	93.3	Very high	21 Å²	21	60.8 Å²	60.8	11%	0.11	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-92.2	0.8	175.7	-59.6	179.1	0	0	0	112.9	A76 A77 H80 L84 H85 D89 F90 L91	A76-L87 HydrophobicContact CB-CD1 4.48Å; A77-L87 HydrophobicContact CB-CD1 4.39Å; H80-L87 HydrophobicContact CB-CD1 4.01Å; H80-L87 HydrophobicContact CB-CG 4.23Å; L84-L87 HydrophobicContact CD2-CD1 4.44Å; L84-L87 WeakPolarHBondContact O-CB 3.49Å; L84-L87 PolarHBondContact O-N 2.97Å; H85-L87 PolarHBondContact O-N 3.47Å; L87-D89 PolarHBondContact O-N 3.08Å; L87-F90 WeakPolarHBondContact O-CB 3.46Å; L87-F90 PolarHBondContact O-N 3.06Å; L87-L91 HydrophobicContact CB-CD1 4.14Å; L87-L91 HydrophobicContact CB-CG 4.22Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 3.34Å
88	E	91.1	Very high	93.1	Very high	44 Å²	44	62.7 Å²	62.7	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-51.2	-170.1	179.2	160.9	-174.4	0	0	113.1	H85 F90 L91 L92 R148	H85-E88 IonicContact CE1-OE2 2.65Å; H85-E88 PolarHBondContact CE1-OE2 3.03Å; H85-E88 IonicContact CG-OE2 3.62Å; H85-E88 IonicContact ND1-OE2 2.77Å; H85-E88 PolarHBondContact ND1-OE2 3.47Å; H85-E88 WeakPolarHBondContact O-CB 3.49Å; H85-E88 PolarHBondContact O-N 3.33Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.32Å; E88-L91 PolarHBondContact O-N 3.34Å; E88-L92 VanDerWaalsContact O-CB 3.26Å; E88-L92 WeakPolarHBondContact O-CB 3.36Å; E88-L92 PolarHBondContact O-N 3.03Å; E88-R148 IonicContact OE1-CZ 3.84Å; E88-R148 VanDerWaalsContact OE1-CZ 3.24Å; E88-R148 IonicContact OE1-NE 2.85Å; E88-R148 PolarHBondContact OE1-NE 3.32Å; E88-R148 IonicContact OE1-NH2 3.92Å; E88-R148 PolarHBondContact OE1-NH2 3.27Å; E88-R148 IonicContact OE2-NH2 3.85Å
89	D	92.9	Very high	92.9	Very high	132 Å²	132	65.3 Å²	65.3	71%	0.706	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-37.4	179.4	-72.5	-27.2	0	0	0	112	L87 N93	L87-D89 PolarHBondContact O-N 3.08Å; D89-N93 WeakPolarHBondContact O-CB 3.29Å; D89-N93 PolarHBondContact O-N 3.07Å
90	F	94.8	Very high	92.7	Very high	100 Å²	100	66 Å²	66	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-49.7	175.5	171	-100.1	0	0	0	111.2	V73 L87 E88 N93 L94	V73-F90 HydrophobicContact CG1-CE1 4.25Å; V73-F90 HydrophobicContact CG2-CE1 3.97Å; V73-F90 HydrophobicContact CG2-CZ 3.88Å; L87-F90 WeakPolarHBondContact O-CB 3.46Å; L87-F90 PolarHBondContact O-N 3.06Å; E88-F90 VanDerWaalsContact C-N 3.28Å; E88-F90 PolarHBondContact O-N 3.32Å; F90-N93 PolarHBondContact O-N 3.01Å; F90-L94 HydrophobicContact CE1-CD2 4.35Å; F90-L94 WeakPolarHBondContact O-CB 3.36Å; F90-L94 PolarHBondContact O-N 3.48Å
91	L	94.9	Very high	92.4	Very high	6 Å²	6	66.4 Å²	66.4	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-38.7	179.4	-69.2	176.7	0	0	0	111.8	V73 L87 E88 N93 L94 G95 V142 A145 M146	V73-L91 HydrophobicContact CG1-CD2 4.32Å; L87-L91 HydrophobicContact CB-CD1 4.14Å; L87-L91 HydrophobicContact CB-CG 4.22Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 3.34Å; E88-L91 PolarHBondContact O-N 3.34Å; L91-N93 PolarHBondContact O-N 2.9Å; L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CB 3.2Å; L91-L94 PolarHBondContact O-N 3.43Å; L91-G95 PolarHBondContact O-N 2.76Å; L91-V142 HydrophobicContact CD1-CB 4.45Å; L91-V142 HydrophobicContact CD1-CG1 4.14Å; L91-V142 HydrophobicContact CD1-CG2 4.37Å; L91-V142 HydrophobicContact CD2-CG1 3.9Å; L91-A145 HydrophobicContact CB-CB 3.88Å; L91-A145 HydrophobicContact CD1-CB 3.86Å; L91-M146 HydrophobicContact CB-CG 4.04Å; L91-M146 HydrophobicContact CD2-CG 4.15Å; L91-M146 HydrophobicContact CD2-SD 4.49Å; L91-M146 WeakPolarHBondContact O-CA 3.38Å; L91-M146 WeakPolarHBondContact O-CG 3.39Å
92	L	94.7	Very high	92.1	Very high	40 Å²	40	68.6 Å²	68.6	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-46.7	174.8	-178	151.8	0	0	0	111	E88 L94 G95 K96 R148	E88-L92 VanDerWaalsContact O-CB 3.26Å; E88-L92 WeakPolarHBondContact O-CB 3.36Å; E88-L92 PolarHBondContact O-N 3.03Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-G95 PolarHBondContact O-N 3.34Å; L92-K96 HydrophobicContact CD2-CD 4.14Å; L92-K96 VanDerWaalsContact CD2-CE 3.47Å; L92-K96 PolarHBondContact O-N 2.88Å; L92-K96 VanDerWaalsContact O-N 3.09Å; L92-R148 HydrophobicContact CD1-CB 4.45Å
93	N	94.9	Very high	92	Very high	75 Å²	75	66 Å²	66	40%	0.401	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-36.2	176.2	-171.4	48.1	0	0	0	112.3	D89 F90 L91 G95 K96 K97	D89-N93 WeakPolarHBondContact O-CB 3.29Å; D89-N93 PolarHBondContact O-N 3.07Å; F90-N93 PolarHBondContact O-N 3.01Å; L91-N93 PolarHBondContact O-N 2.9Å; N93-G95 VanDerWaalsContact C-N 3.27Å; N93-G95 PolarHBondContact O-N 3.4Å; N93-K96 PolarHBondContact O-N 3.45Å; N93-K97 WeakPolarHBondContact O-CG 3.28Å; N93-K97 PolarHBondContact O-N 3.5Å; N93-K97 VanDerWaalsContact O-N 3.12Å
94	L	94.4	Very high	92	Very high	31 Å²	31	64.5 Å²	64.5	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-40.1	173.2	-170.6	62.7	0	0	0	110.8	V73 F90 L91 L92 K97 H98 M146	V73-L94 HydrophobicContact CG1-CD2 3.99Å; V73-L94 HydrophobicContact CG2-CD2 4.13Å; F90-L94 HydrophobicContact CE1-CD2 4.35Å; F90-L94 WeakPolarHBondContact O-CB 3.36Å; F90-L94 PolarHBondContact O-N 3.48Å; L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CB 3.2Å; L91-L94 PolarHBondContact O-N 3.43Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L94-K97 PolarHBondContact O-N 3.4Å; L94-H98 PolarHBondContact O-N 3.12Å; L94-H98 VanDerWaalsContact O-N 3.08Å; L94-H98 PolarHBondContact O-ND1 2.96Å; L94-M146 HydrophobicContact CB-CE 4.34Å; L94-M146 HydrophobicContact CD2-CE 3.95Å; L94-M146 HydrophobicContact CD2-SD 4.11Å; L94-M146 HydrophobicContact CG-CE 3.82Å
95	G	94.6	Very high	92	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.8	-46.9	174	0	0	0	0	0	113.2	L91 L92 N93 K97 H98 Q99 M146 W150	L91-G95 PolarHBondContact O-N 2.76Å; L92-G95 PolarHBondContact O-N 3.34Å; N93-G95 VanDerWaalsContact C-N 3.27Å; N93-G95 PolarHBondContact O-N 3.4Å; G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 3.22Å; G95-H98 PolarHBondContact O-N 3Å; G95-H98 VanDerWaalsContact O-N 3.1Å; G95-Q99 PolarHBondContact O-N 3.4Å; G95-M146 WeakPolarHBondContact CA-O 3.2Å; G95-W150 WeakPolarHBondContact O-CH2 3.48Å; G95-W150 VanDerWaalsContact O-CZ3 3.29Å; G95-W150 WeakPolarHBondContact O-CZ3 3.27Å
96	K	94.5	Very high	92.1	Very high	106 Å²	106	67 Å²	67	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-55	-41.7	174	-70.5	174.1	178	173.2	0	112.6	L92 N93 Q99 A100 G149	L92-K96 HydrophobicContact CD2-CD 4.14Å; L92-K96 VanDerWaalsContact CD2-CE 3.47Å; L92-K96 PolarHBondContact O-N 2.88Å; L92-K96 VanDerWaalsContact O-N 3.09Å; N93-K96 PolarHBondContact O-N 3.45Å; K96-Q99 PolarHBondContact O-N 3.04Å; K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.08Å; K96-G149 VanDerWaalsContact CG-O 3.28Å; K96-G149 WeakPolarHBondContact CG-O 3.19Å
97	K	92.9	Very high	92.1	Very high	121 Å²	121	62.8 Å²	62.8	53%	0.526	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-43.2	177.3	-69.4	174.3	-179	179.4	0	111.9	N93 L94 G95 A100 V101	N93-K97 WeakPolarHBondContact O-CG 3.28Å; N93-K97 PolarHBondContact O-N 3.5Å; N93-K97 VanDerWaalsContact O-N 3.12Å; L94-K97 PolarHBondContact O-N 3.4Å; G95-K97 VanDerWaalsContact C-N 3.27Å; G95-K97 PolarHBondContact O-N 3.22Å; K97-A100 PolarHBondContact O-N 3.13Å; K97-V101 PolarHBondContact O-N 3.46Å
98	H	93.4	Very high	92.1	Very high	43 Å²	43	62.4 Å²	62.4	20%	0.199	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-40.2	177.1	-76.9	83	0	0	0	111.9	L94 G95 A100 V101 G102 V103 W150	L94-H98 PolarHBondContact O-N 3.12Å; L94-H98 VanDerWaalsContact O-N 3.08Å; L94-H98 PolarHBondContact O-ND1 2.96Å; G95-H98 PolarHBondContact O-N 3Å; G95-H98 VanDerWaalsContact O-N 3.1Å; H98-A100 VanDerWaalsContact C-N 3.35Å; H98-A100 PolarHBondContact O-N 3.46Å; H98-V101 VanDerWaalsContact O-CG2 3.28Å; H98-V101 WeakPolarHBondContact O-CG2 3.47Å; H98-V101 PolarHBondContact O-N 3.17Å; H98-G102 PolarHBondContact O-N 3.34Å; H98-V103 HydrophobicContact CB-CB 4.22Å; H98-V103 HydrophobicContact CB-CG2 4.5Å; H98-V103 WeakPolarHBondContact O-CB 3.35Å; H98-V103 PolarHBondContact O-N 3.15Å; H98-W150 HydrophobicContact CB-CH2 3.44Å; H98-W150 VanDerWaalsContact CB-CH2 3.44Å; H98-W150 HydrophobicContact CB-CZ2 3.75Å
99	Q	92.4	Very high	92.2	Very high	63 Å²	63	63.9 Å²	63.9	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-46.5	171.6	-174.8	-177.6	28.1	0	0	111.4	G95 K96 V101 G102 G149 W150	G95-Q99 PolarHBondContact O-N 3.4Å; K96-Q99 PolarHBondContact O-N 3.04Å; Q99-V101 VanDerWaalsContact C-N 3.26Å; Q99-V101 PolarHBondContact O-N 3.31Å; Q99-G102 PolarHBondContact O-N 3.18Å; Q99-G149 PolarHBondContact OE1-O 3.22Å; Q99-W150 HydrophobicContact CB-CD2 4.02Å; Q99-W150 HydrophobicContact CB-CG 4.11Å; Q99-W150 HydrophobicContact CB-CZ2 4.11Å; Q99-W150 HydrophobicContact CG-CG 4.13Å
100	A	91.1	Very high	92.4	Very high	88 Å²	88	59 Å²	59	73%	0.727	33%	0.333	S	S	*	.	H	α-helix	trans	-64	-28.4	-177	0	0	0	0	0	113.5	K96 K97 H98 G102	K96-A100 WeakPolarHBondContact O-CB 3.49Å; K96-A100 PolarHBondContact O-N 3.08Å; K97-A100 PolarHBondContact O-N 3.13Å; H98-A100 VanDerWaalsContact C-N 3.35Å; H98-A100 PolarHBondContact O-N 3.46Å; A100-G102 VanDerWaalsContact C-N 3.32Å
101	V	89.3	Confident	92.4	Very high	89 Å²	89	55.6 Å²	55.6	54%	0.539	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	7.6	175.3	-56.4	0	0	0	0	113.3	L44 K97 H98 Q99 V103	L44-V101 WeakPolarHBondContact CD2-O 3.39Å; K97-V101 PolarHBondContact O-N 3.46Å; H98-V101 VanDerWaalsContact O-CG2 3.28Å; H98-V101 WeakPolarHBondContact O-CG2 3.47Å; H98-V101 PolarHBondContact O-N 3.17Å; Q99-V101 VanDerWaalsContact C-N 3.26Å; Q99-V101 PolarHBondContact O-N 3.31Å; V101-V103 HydrophobicContact CG2-CG2 4.13Å
102	G	88.3	Confident	92.5	Very high	53 Å²	53	55.6 Å²	55.6	55%	0.546	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	10.7	172.7	0	0	0	0	0	115.7	H98 Q99 A100 N104	H98-G102 PolarHBondContact O-N 3.34Å; Q99-G102 PolarHBondContact O-N 3.18Å; A100-G102 VanDerWaalsContact C-N 3.32Å; G102-N104 PolarHBondContact O-N 3.39Å
103	V	91	Very high	92.6	Very high	24 Å²	24	58.1 Å²	58.1	15%	0.145	33%	0.333	C	S	.	.			trans	-70.4	129.9	173.7	176.4	0	0	0	0	110.2	L44 H98 V101 W150	L44-V103 HydrophobicContact CD1-CG2 3.67Å; H98-V103 HydrophobicContact CB-CB 4.22Å; H98-V103 HydrophobicContact CB-CG2 4.5Å; H98-V103 WeakPolarHBondContact O-CB 3.35Å; H98-V103 PolarHBondContact O-N 3.15Å; V101-V103 HydrophobicContact CG2-CG2 4.13Å; V103-W150 PolarHBondContact O-NE1 3.38Å
104	N	88.4	Confident	92.8	Very high	75 Å²	75	54.5 Å²	54.5	40%	0.401	31%	0.313	S	S	.	.			trans	-83.1	144.2	172.6	-170	-33.6	0	0	0	110.1	G102 Q106 S107	G102-N104 PolarHBondContact O-N 3.39Å; N104-Q106 PolarHBondContact O-N 3.28Å; N104-Q106 PolarHBondContact OD1-N 3.05Å; N104-S107 WeakPolarHBondContact O-CB 3.31Å; N104-S107 PolarHBondContact O-N 2.96Å; N104-S107 PolarHBondContact O-OG 3.49Å
105	T	87.2	Confident	93	Very high	58 Å²	58	53.2 Å²	53.2	36%	0.356	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.6	173.9	52.4	0	0	0	0	112.7	S107 F108 W150	T105-S107 VanDerWaalsContact C-N 3.27Å; T105-S107 PolarHBondContact O-N 3.44Å; T105-F108 WeakPolarHBondContact O-CB 3.35Å; T105-F108 WeakPolarHBondContact O-CD2 3.1Å; T105-F108 PolarHBondContact O-N 2.89Å; T105-W150 HydrophobicContact CG2-CB 4.21Å; T105-W150 HydrophobicContact CG2-CD2 3.59Å; T105-W150 HydrophobicContact CG2-CE3 4.23Å; T105-W150 HydrophobicContact CG2-CG 3.54Å
106	Q	88.8	Confident	93.2	Very high	147 Å²	147	53.9 Å²	53.9	69%	0.687	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.1	175.3	-67.5	176.8	-16	0	0	112.6	N104 F108 A109	N104-Q106 PolarHBondContact O-N 3.28Å; N104-Q106 PolarHBondContact OD1-N 3.05Å; Q106-F108 PolarHBondContact O-N 3.43Å; Q106-F108 VanDerWaalsContact O-N 3.17Å; Q106-A109 WeakPolarHBondContact O-CB 3.31Å; Q106-A109 PolarHBondContact O-N 2.59Å
107	S	91.4	Very high	93.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-20.4	178.6	-49.8	0	0	0	0	112	E38 N104 T105 A109 V110 V111	E38-S107 PolarHBondContact OE1-OG 2.76Å; E38-S107 WeakPolarHBondContact OE2-CB 3.4Å; E38-S107 PolarHBondContact OE2-OG 3.02Å; N104-S107 WeakPolarHBondContact O-CB 3.31Å; N104-S107 PolarHBondContact O-N 2.96Å; N104-S107 PolarHBondContact O-OG 3.49Å; T105-S107 VanDerWaalsContact C-N 3.27Å; T105-S107 PolarHBondContact O-N 3.44Å; S107-A109 PolarHBondContact O-N 3.2Å; S107-V110 WeakPolarHBondContact O-CB 3.38Å; S107-V110 PolarHBondContact O-N 2.95Å; S107-V110 VanDerWaalsContact O-N 3.09Å; S107-V111 WeakPolarHBondContact O-CG2 3.08Å; S107-V111 PolarHBondContact O-N 3.1Å
108	F	92.4	Very high	93.7	Very high	12 Å²	12	47 Å²	47	5%	0.053	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-25.1	173.2	-74.7	-63.3	0	0	0	113.6	T105 Q106 V110 G112 Y139 V143 M146 W150	T105-F108 WeakPolarHBondContact O-CB 3.35Å; T105-F108 WeakPolarHBondContact O-CD2 3.1Å; T105-F108 PolarHBondContact O-N 2.89Å; Q106-F108 PolarHBondContact O-N 3.43Å; Q106-F108 VanDerWaalsContact O-N 3.17Å; F108-V110 VanDerWaalsContact C-N 3.31Å; F108-G112 PolarHBondContact O-N 2.72Å; F108-Y139 VanDerWaalsContact O-CE1 3.31Å; F108-Y139 WeakPolarHBondContact O-CE1 3.36Å; F108-Y139 PolarHBondContact O-OH 2.79Å; F108-V143 HydrophobicContact CB-CG1 3.85Å; F108-V143 HydrophobicContact CB-CG2 4.04Å; F108-V143 HydrophobicContact CD1-CG2 4.07Å; F108-V143 HydrophobicContact CD2-CG1 4.27Å; F108-V143 HydrophobicContact CG-CG1 4.04Å; F108-V143 HydrophobicContact CG-CG2 4.14Å; F108-M146 HydrophobicContact CE1-CE 3.85Å; F108-M146 HydrophobicContact CE1-SD 4.32Å; F108-M146 HydrophobicContact CZ-CE 3.71Å; F108-W150 AromaticContact CE2-CH2 3.22Å; F108-W150 HydrophobicContact CE2-CH2 3.22Å; F108-W150 AromaticContact CE2-CZ2 3.69Å; F108-W150 HydrophobicContact CE2-CZ2 3.69Å; F108-W150 AromaticContact CE2-CZ3 3.69Å; F108-W150 HydrophobicContact CE2-CZ3 3.69Å; F108-W150 AromaticContact CZ-CH2 3.4Å; F108-W150 HydrophobicContact CZ-CH2 3.4Å; F108-W150 HydrophobicContact CZ-CZ2 4.12Å; F108-W150 HydrophobicContact CZ-CZ3 4.02Å
109	A	94.1	Very high	93.9	Very high	75 Å²	75	44.9 Å²	44.9	62%	0.62	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-43.4	172.6	0	0	0	0	0	110.5	Q106 S107 G112 E113	Q106-A109 WeakPolarHBondContact O-CB 3.31Å; Q106-A109 PolarHBondContact O-N 2.59Å; S107-A109 PolarHBondContact O-N 3.2Å; A109-G112 PolarHBondContact O-N 3.25Å; A109-E113 PolarHBondContact O-N 3.06Å
110	V	96.2	Very high	94.2	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-39.3	178.9	-169.3	0	0	0	0	111.1	L34 L37 E38 S107 F108 G112 E113 S114	L34-V110 HydrophobicContact CD1-CB 4.03Å; L34-V110 HydrophobicContact CD1-CG1 3.66Å; L37-V110 HydrophobicContact CB-CG1 3.39Å; L37-V110 HydrophobicContact CD1-CG1 3.69Å; L37-V110 HydrophobicContact CG-CG1 4.19Å; E38-V110 HydrophobicContact CB-CG1 4.28Å; E38-V110 WeakPolarHBondContact OE2-CG2 3.42Å; S107-V110 WeakPolarHBondContact O-CB 3.38Å; S107-V110 PolarHBondContact O-N 2.95Å; S107-V110 VanDerWaalsContact O-N 3.09Å; F108-V110 VanDerWaalsContact C-N 3.31Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 2.9Å; V110-E113 PolarHBondContact O-N 3.35Å; V110-S114 VanDerWaalsContact O-CB 3.3Å; V110-S114 WeakPolarHBondContact O-CB 3.4Å; V110-S114 PolarHBondContact O-N 3.33Å; V110-S114 PolarHBondContact O-OG 3.24Å
111	V	95.8	Very high	94.6	Very high	29 Å²	29	45.7 Å²	45.7	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-40.4	172.9	174.2	0	0	0	0	110.8	M30 L34 S107 S114 L115 Y139	M30-V111 HydrophobicContact CE-CG1 3.5Å; L34-V111 HydrophobicContact CD1-CG2 3.8Å; L34-V111 HydrophobicContact CD2-CG2 4.02Å; S107-V111 WeakPolarHBondContact O-CG2 3.08Å; S107-V111 PolarHBondContact O-N 3.1Å; V111-S114 PolarHBondContact O-N 3.19Å; V111-L115 PolarHBondContact O-N 3.43Å; V111-Y139 VanDerWaalsContact CB-OH 3.31Å; V111-Y139 WeakPolarHBondContact CB-OH 3.09Å; V111-Y139 HydrophobicContact CG1-CE2 4.21Å; V111-Y139 WeakPolarHBondContact CG1-OH 3.2Å
112	G	97	Very high	95	Very high	5 Å²	5	43 Å²	43	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-45.5	176.5	0	0	0	0	0	112.7	F108 A109 V110 S114 L115 L116 Y139	F108-G112 PolarHBondContact O-N 2.72Å; A109-G112 PolarHBondContact O-N 3.25Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 2.9Å; G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 3.31Å; G112-L115 PolarHBondContact O-N 2.95Å; G112-L116 WeakPolarHBondContact O-CG 3.42Å; G112-L116 PolarHBondContact O-N 3.36Å; G112-Y139 VanDerWaalsContact CA-CZ 3.41Å; G112-Y139 PolarHBondContact N-OH 2.82Å
113	E	97.6	Very high	95.4	Very high	93 Å²	93	42 Å²	42	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-44.4	172.1	-174	-176.2	145.9	0	0	111.1	R33 L37 A109 V110 L115 L116 Y117	R33-E113 IonicContact CZ-OE1 2.66Å; R33-E113 IonicContact NE-OE1 3.98Å; R33-E113 IonicContact NH2-OE1 3.08Å; R33-E113 PolarHBondContact NH2-OE1 3.43Å; R33-E113 VanDerWaalsContact NH2-OE1 3.08Å; L37-E113 HydrophobicContact CD1-CB 4.46Å; L37-E113 HydrophobicContact CD1-CG 4.21Å; L37-E113 WeakPolarHBondContact CD1-OE1 3.46Å; A109-E113 PolarHBondContact O-N 3.06Å; V110-E113 PolarHBondContact O-N 3.35Å; E113-L115 PolarHBondContact O-N 3.13Å; E113-L116 PolarHBondContact O-N 2.86Å; E113-Y117 WeakPolarHBondContact O-CB 3.25Å; E113-Y117 PolarHBondContact O-N 3.44Å
114	S	98.4	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-37	-178.6	-56.7	0	0	0	0	112.6	M30 L34 V110 V111 G112 M118	M30-S114 WeakPolarHBondContact O-CB 3.49Å; L34-S114 VanDerWaalsContact CA-OG 3.28Å; L34-S114 WeakPolarHBondContact CA-OG 3.36Å; L34-S114 PolarHBondContact N-OG 2.8Å; V110-S114 VanDerWaalsContact O-CB 3.3Å; V110-S114 WeakPolarHBondContact O-CB 3.4Å; V110-S114 PolarHBondContact O-N 3.33Å; V110-S114 PolarHBondContact O-OG 3.24Å; V111-S114 PolarHBondContact O-N 3.19Å; G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 3.31Å; S114-M118 WeakPolarHBondContact O-CB 3.48Å; S114-M118 PolarHBondContact O-N 2.97Å
115	L	98.5	Very high	96	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-47.4	171.6	173.1	70.5	0	0	0	111.1	M30 I74 V111 G112 E113 Y117 M118 L119 W135 Y139	M30-L115 HydrophobicContact CE-CB 4.2Å; M30-L115 HydrophobicContact SD-CB 4.25Å; M30-L115 HydrophobicContact SD-CD1 4.22Å; I74-L115 HydrophobicContact CD1-CD1 3.91Å; V111-L115 PolarHBondContact O-N 3.43Å; G112-L115 PolarHBondContact O-N 2.95Å; E113-L115 PolarHBondContact O-N 3.13Å; L115-Y117 VanDerWaalsContact C-N 3.33Å; L115-Y117 PolarHBondContact O-N 2.94Å; L115-M118 HydrophobicContact CD1-CE 3.5Å; L115-M118 WeakPolarHBondContact O-CB 3.4Å; L115-M118 PolarHBondContact O-N 3.46Å; L115-L119 HydrophobicContact CD1-CD1 4.5Å; L115-L119 HydrophobicContact CG-CD1 4.26Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.14Å; L115-W135 HydrophobicContact CD2-CE3 4.28Å; L115-Y139 HydrophobicContact CD2-CD2 3.79Å; L115-Y139 HydrophobicContact CD2-CG 4.25Å
116	L	98.6	Very high	96.4	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-37.4	179.2	-68.8	-179.3	0	0	0	112	G112 E113 L119 Q120 Y127 R132 W135 L136	G112-L116 WeakPolarHBondContact O-CG 3.42Å; G112-L116 PolarHBondContact O-N 3.36Å; E113-L116 PolarHBondContact O-N 2.86Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 PolarHBondContact O-N 3.32Å; L116-Q120 WeakPolarHBondContact O-CB 3.42Å; L116-Q120 PolarHBondContact O-N 3.48Å; L116-Y127 PolarHBondContact O-OH 3.25Å; L116-R132 HydrophobicContact CD1-CG 4.25Å; L116-R132 HydrophobicContact CD2-CG 4.27Å; L116-W135 HydrophobicContact CD2-CB 3.82Å; L116-L136 HydrophobicContact CD1-CB 4.47Å; L116-L136 HydrophobicContact CD1-CD1 4.44Å
117	Y	98.7	Very high	96.9	Very high	82 Å²	82	43.1 Å²	43.1	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-47	173.3	176.5	-96.1	0	0	0	111.6	I29 R33 E113 L115 L119 Q120 C121	I29-Y117 HydrophobicContact CG2-CD1 4.06Å; I29-Y117 HydrophobicContact CG2-CE1 3.81Å; R33-Y117 HydrophobicContact CB-CD1 3.6Å; R33-Y117 HydrophobicContact CB-CE1 4.06Å; R33-Y117 HydrophobicContact CB-CG 4.25Å; R33-Y117 HydrophobicContact CG-CD1 3.64Å; R33-Y117 HydrophobicContact CG-CD2 4.49Å; R33-Y117 HydrophobicContact CG-CE1 4.28Å; R33-Y117 HydrophobicContact CG-CG 3.76Å; E113-Y117 WeakPolarHBondContact O-CB 3.25Å; E113-Y117 PolarHBondContact O-N 3.44Å; L115-Y117 VanDerWaalsContact C-N 3.33Å; L115-Y117 PolarHBondContact O-N 2.94Å; Y117-L119 VanDerWaalsContact C-N 3.33Å; Y117-L119 PolarHBondContact O-N 3.39Å; Y117-Q120 WeakPolarHBondContact O-CB 3.48Å; Y117-Q120 PolarHBondContact O-N 2.98Å; Y117-Q120 VanDerWaalsContact O-N 3.15Å; Y117-C121 PolarHBondContact O-N 3.46Å; Y117-C121 PolarHBondContact O-SG 3.33Å
118	M	98.6	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-49	174.3	171.8	-78.6	-70	0	0	111.2	W16 L19 H26 I29 M30 S114 L115 Q120 C121 S122	W16-M118 HydrophobicContact CZ3-CE 4.32Å; L19-M118 HydrophobicContact CD1-SD 4.3Å; H26-M118 HydrophobicContact CB-CG 3.92Å; H26-M118 HydrophobicContact CB-SD 3.73Å; H26-M118 WeakPolarHBondContact O-CG 3.22Å; I29-M118 HydrophobicContact CB-CG 4.42Å; I29-M118 HydrophobicContact CG2-CB 4.39Å; M30-M118 HydrophobicContact CB-CB 3.84Å; M30-M118 HydrophobicContact CB-CG 4.16Å; S114-M118 WeakPolarHBondContact O-CB 3.48Å; S114-M118 PolarHBondContact O-N 2.97Å; L115-M118 HydrophobicContact CD1-CE 3.5Å; L115-M118 WeakPolarHBondContact O-CB 3.4Å; L115-M118 PolarHBondContact O-N 3.46Å; M118-Q120 VanDerWaalsContact C-N 3.29Å; M118-Q120 PolarHBondContact O-N 3.48Å; M118-C121 PolarHBondContact O-N 2.97Å; M118-S122 WeakPolarHBondContact O-CB 3.47Å; M118-S122 PolarHBondContact O-N 2.83Å; M118-S122 PolarHBondContact O-OG 3.42Å
119	L	98.6	Very high	97.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-39.8	178.5	-70.4	164.5	0	0	0	111.9	L19 L115 L116 Y117 S122 L123 Y127 W135	L19-L119 HydrophobicContact CD1-CD2 4.18Å; L115-L119 HydrophobicContact CD1-CD1 4.5Å; L115-L119 HydrophobicContact CG-CD1 4.26Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.14Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-L119 PolarHBondContact O-N 3.32Å; Y117-L119 VanDerWaalsContact C-N 3.33Å; Y117-L119 PolarHBondContact O-N 3.39Å; L119-S122 PolarHBondContact O-N 2.98Å; L119-L123 HydrophobicContact CB-CD1 4.3Å; L119-L123 HydrophobicContact CD2-CD1 4.21Å; L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 3.27Å; L119-Y127 HydrophobicContact CB-CD2 4.03Å; L119-Y127 HydrophobicContact CB-CE2 3.79Å; L119-W135 HydrophobicContact CD1-CB 3.93Å; L119-W135 HydrophobicContact CD1-CD2 3.39Å; L119-W135 HydrophobicContact CD1-CE3 3.86Å; L119-W135 HydrophobicContact CD1-CG 3.42Å; L119-W135 VanDerWaalsContact CD1-CG 3.42Å; L119-W135 HydrophobicContact CD1-CZ2 4.43Å; L119-W135 HydrophobicContact CD2-CD2 4.39Å; L119-W135 HydrophobicContact CD2-CH2 4.49Å; L119-W135 HydrophobicContact CD2-CZ2 3.94Å
120	Q	98.6	Very high	97.7	Very high	105 Å²	105	49.2 Å²	49.2	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-48.6	175.9	-176.8	176.8	8	0	0	112	L116 Y117 M118 G124 Y127	L116-Q120 WeakPolarHBondContact O-CB 3.42Å; L116-Q120 PolarHBondContact O-N 3.48Å; Y117-Q120 WeakPolarHBondContact O-CB 3.48Å; Y117-Q120 PolarHBondContact O-N 2.98Å; Y117-Q120 VanDerWaalsContact O-N 3.15Å; M118-Q120 VanDerWaalsContact C-N 3.29Å; M118-Q120 PolarHBondContact O-N 3.48Å; Q120-G124 PolarHBondContact O-N 3.21Å; Q120-G124 VanDerWaalsContact O-N 3.08Å; Q120-Y127 HydrophobicContact CB-CD1 3.62Å; Q120-Y127 HydrophobicContact CB-CD2 4.41Å; Q120-Y127 HydrophobicContact CB-CE1 3.67Å; Q120-Y127 HydrophobicContact CB-CE2 4.49Å; Q120-Y127 HydrophobicContact CB-CG 3.98Å; Q120-Y127 HydrophobicContact CG-CD1 3.65Å; Q120-Y127 HydrophobicContact CG-CE1 3.97Å; Q120-Y127 HydrophobicContact CG-CG 4.28Å
121	C	98.3	Very high	97.8	Very high	62 Å²	62	48 Å²	48	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-43.4	178.5	-70.7	0	0	0	0	111.9	I29 Y117 M118	I29-C121 HydrophobicContact CG2-CB 4.29Å; Y117-C121 PolarHBondContact O-N 3.46Å; Y117-C121 PolarHBondContact O-SG 3.33Å; M118-C121 PolarHBondContact O-N 2.97Å
122	S	97.8	Very high	97.9	Very high	33 Å²	33	52 Å²	52	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-79.1	-29.2	-172.7	-57.9	0	0	0	0	113.8	L19 H26 M118 L119	L19-S122 VanDerWaalsContact CD2-CB 3.46Å; H26-S122 WeakPolarHBondContact ND1-CB 3.36Å; H26-S122 PolarHBondContact ND1-OG 3.26Å; M118-S122 WeakPolarHBondContact O-CB 3.47Å; M118-S122 PolarHBondContact O-N 2.83Å; M118-S122 PolarHBondContact O-OG 3.42Å; L119-S122 PolarHBondContact O-N 2.98Å
123	L	97.7	Very high	98	Very high	31 Å²	31	55.7 Å²	55.7	16%	0.162	31%	0.311	C	S	.	.	H	α-helix	trans	-97.4	-17.9	-178.9	-61	170.2	0	0	0	113.3	S18 L19 L119 Q125 G126 Y127 L131	S18-L123 VanDerWaalsContact OG-CD2 3.27Å; S18-L123 WeakPolarHBondContact OG-CD2 3.31Å; L19-L123 HydrophobicContact CD2-CD2 3.62Å; L19-L123 HydrophobicContact CD2-CG 4.05Å; L19-L123 HydrophobicContact CG-CD2 4.36Å; L119-L123 HydrophobicContact CB-CD1 4.3Å; L119-L123 HydrophobicContact CD2-CD1 4.21Å; L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 VanDerWaalsContact O-CG 3.26Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 3.27Å; L123-Q125 PolarHBondContact O-N 3.48Å; L123-G126 PolarHBondContact O-N 2.78Å; L123-Y127 HydrophobicContact CD1-CD2 4.34Å; L123-L131 HydrophobicContact CD1-CD2 3.54Å
124	G	97.2	Very high	98	Very high	44 Å²	44	51.3 Å²	51.3	45%	0.454	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	53.4	-120.8	-179.2	0	0	0	0	0	112	Q120 G126 Y127	Q120-G124 PolarHBondContact O-N 3.21Å; Q120-G124 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 3.21Å; G124-G126 VanDerWaalsContact O-N 3.17Å; G124-Y127 WeakPolarHBondContact O-CB 3.44Å; G124-Y127 PolarHBondContact O-N 2.95Å
125	Q	95.2	Very high	98	Very high	201 Å²	201	51.3 Å²	51.3	94%	0.939	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63	-20.7	-179.9	-63.7	-177.6	8.3	0	0	113.8	L123 Y127	L123-Q125 PolarHBondContact O-N 3.48Å; Q125-Y127 PolarHBondContact O-N 3.13Å
126	G	95.5	Very high	98	Very high	47 Å²	47	53.5 Å²	53.5	49%	0.485	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-72.6	-13.2	174.7	0	0	0	0	0	113.8	L123 G124 T128	L123-G126 PolarHBondContact O-N 2.78Å; G124-G126 PolarHBondContact O-N 3.21Å; G124-G126 VanDerWaalsContact O-N 3.17Å; G126-T128 PolarHBondContact O-N 3.48Å
127	Y	98.1	Very high	97.9	Very high	37 Å²	37	55.1 Å²	55.1	15%	0.145	31%	0.311	C	S	.	.			trans	-80.3	97	178.1	-170.3	-108.3	0	0	0	111.6	L116 L119 Q120 L123 G124 Q125 L131 R132	L116-Y127 PolarHBondContact O-OH 3.25Å; L119-Y127 HydrophobicContact CB-CD2 4.03Å; L119-Y127 HydrophobicContact CB-CE2 3.79Å; Q120-Y127 HydrophobicContact CB-CD1 3.62Å; Q120-Y127 HydrophobicContact CB-CD2 4.41Å; Q120-Y127 HydrophobicContact CB-CE1 3.67Å; Q120-Y127 HydrophobicContact CB-CE2 4.49Å; Q120-Y127 HydrophobicContact CB-CG 3.98Å; Q120-Y127 HydrophobicContact CG-CD1 3.65Å; Q120-Y127 HydrophobicContact CG-CE1 3.97Å; Q120-Y127 HydrophobicContact CG-CG 4.28Å; L123-Y127 HydrophobicContact CD1-CD2 4.34Å; G124-Y127 WeakPolarHBondContact O-CB 3.44Å; G124-Y127 PolarHBondContact O-N 2.95Å; Q125-Y127 PolarHBondContact O-N 3.13Å; Y127-L131 HydrophobicContact CD2-CD2 4.2Å; Y127-R132 HydrophobicContact CE1-CB 4.24Å; Y127-R132 HydrophobicContact CE2-CB 4.16Å; Y127-R132 WeakPolarHBondContact OH-CB 3.48Å; Y127-R132 VanDerWaalsContact OH-CG 3.25Å; Y127-R132 WeakPolarHBondContact OH-CG 3.31Å
128	T	98.4	Very high	97.8	Very high	63 Å²	63	51.4 Å²	51.4	39%	0.387	30%	0.297	S	S	.	.			trans	-104.4	161.5	-177.3	65.1	0	0	0	0	112.3	G126 L131 R132	G126-T128 PolarHBondContact O-N 3.48Å; T128-L131 WeakPolarHBondContact O-CB 3.48Å; T128-L131 PolarHBondContact O-N 2.85Å; T128-L131 VanDerWaalsContact O-N 3.12Å; T128-L131 WeakPolarHBondContact OG1-CB 3.38Å; T128-L131 PolarHBondContact OG1-N 2.84Å; T128-R132 PolarHBondContact O-N 3.03Å
129	A	98.3	Very high	97.7	Very high	81 Å²	81	52.8 Å²	52.8	67%	0.669	30%	0.302	S	S	*	.	H	α-helix	trans	-58.3	-42.2	176.9	0	0	0	0	0	113.7	L131 R132 Q133	A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.92Å; A129-R132 PolarHBondContact O-N 3.23Å; A129-Q133 PolarHBondContact O-N 3.44Å
130	P	98.3	Very high	97.5	Very high	73 Å²	73	56.4 Å²	56.4	47%	0.474	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-39.4	172.7	-25.1	35.9	0	0	0	113.1	L11 Q133 A134	L11-P130 HydrophobicContact CD1-CB 4.09Å; P130-Q133 PolarHBondContact O-N 3.48Å; P130-A134 PolarHBondContact O-N 3.07Å
131	L	98.4	Very high	97.3	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-47.3	177.7	179.4	64.5	0	0	0	111.3	L11 S15 L123 Y127 T128 A129 Q133 A134 W135	L11-L131 HydrophobicContact CB-CD1 3.8Å; L11-L131 WeakPolarHBondContact O-CD1 3.38Å; S15-L131 WeakPolarHBondContact OG-CD1 3.33Å; L123-L131 HydrophobicContact CD1-CD2 3.54Å; Y127-L131 HydrophobicContact CD2-CD2 4.2Å; T128-L131 WeakPolarHBondContact O-CB 3.48Å; T128-L131 PolarHBondContact O-N 2.85Å; T128-L131 VanDerWaalsContact O-N 3.12Å; T128-L131 WeakPolarHBondContact OG1-CB 3.38Å; T128-L131 PolarHBondContact OG1-N 2.84Å; A129-L131 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.92Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 3.5Å; L131-A134 WeakPolarHBondContact O-CB 3.42Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-W135 PolarHBondContact O-N 3.19Å
132	R	98.4	Very high	97.1	Very high	113 Å²	113	50 Å²	50	43%	0.426	29%	0.29	S	S	.	.	H	α-helix	trans	-53.4	-46.4	174.2	175	176.9	-179.3	-76.4	-1.3	111.3	L116 Y127 T128 A129 W135 L136	L116-R132 HydrophobicContact CD1-CG 4.25Å; L116-R132 HydrophobicContact CD2-CG 4.27Å; Y127-R132 HydrophobicContact CE1-CB 4.24Å; Y127-R132 HydrophobicContact CE2-CB 4.16Å; Y127-R132 WeakPolarHBondContact OH-CB 3.48Å; Y127-R132 VanDerWaalsContact OH-CG 3.25Å; Y127-R132 WeakPolarHBondContact OH-CG 3.31Å; T128-R132 PolarHBondContact O-N 3.03Å; A129-R132 PolarHBondContact O-N 3.23Å; R132-W135 PolarHBondContact O-N 3.4Å; R132-L136 WeakPolarHBondContact O-CB 3.43Å; R132-L136 PolarHBondContact O-N 3.04Å
133	Q	98.3	Very high	96.9	Very high	82 Å²	82	49.5 Å²	49.5	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-41.9	-179.4	-169.4	60.9	50.8	0	0	111.9	A129 P130 L131 W135 L136 N137	A129-Q133 PolarHBondContact O-N 3.44Å; P130-Q133 PolarHBondContact O-N 3.48Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 3.5Å; Q133-W135 PolarHBondContact O-N 2.87Å; Q133-L136 PolarHBondContact O-N 3.17Å; Q133-N137 PolarHBondContact NE2-OD1 3.09Å; Q133-N137 WeakPolarHBondContact O-CB 3.49Å; Q133-N137 VanDerWaalsContact O-CG 3.23Å; Q133-N137 PolarHBondContact O-N 3.23Å; Q133-N137 PolarHBondContact O-OD1 2.76Å
134	A	98.3	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-48.2	176.5	0	0	0	0	0	111.6	E8 L11 I12 P130 L131 N137 M138	E8-A134 HydrophobicContact CB-CB 3.73Å; E8-A134 HydrophobicContact CG-CB 3.8Å; L11-A134 HydrophobicContact CB-CB 4.37Å; I12-A134 HydrophobicContact CD1-CB 4.19Å; I12-A134 HydrophobicContact CG1-CB 3.97Å; P130-A134 PolarHBondContact O-N 3.07Å; L131-A134 WeakPolarHBondContact O-CB 3.42Å; L131-A134 PolarHBondContact O-N 3.22Å; A134-N137 PolarHBondContact O-N 2.94Å; A134-M138 PolarHBondContact O-N 3.28Å
135	W	98.4	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-40.9	176.9	-84.2	100.2	0	0	0	112.9	I12 S15 W16 I74 V78 L115 L116 L119 L131 R132 Q133 N137 M138 Y139	I12-W135 HydrophobicContact CG1-CD2 4.38Å; I12-W135 HydrophobicContact CG1-CG 4.4Å; I12-W135 HydrophobicContact CG2-CD2 4.36Å; I12-W135 HydrophobicContact CG2-CH2 3.94Å; I12-W135 HydrophobicContact CG2-CZ2 3.78Å; I12-W135 HydrophobicContact CG2-CZ3 4.31Å; S15-W135 PolarHBondContact OG-NE1 3.18Å; W16-W135 HydrophobicContact CB-CH2 4.13Å; W16-W135 HydrophobicContact CB-CZ2 3.94Å; W16-W135 AromaticContact CD2-CH2 3.95Å; W16-W135 HydrophobicContact CD2-CH2 3.95Å; W16-W135 HydrophobicContact CD2-CZ2 4.47Å; W16-W135 AromaticContact CE3-CH2 3.43Å; W16-W135 HydrophobicContact CE3-CH2 3.43Å; W16-W135 VanDerWaalsContact CE3-CH2 3.43Å; W16-W135 AromaticContact CE3-CZ2 3.92Å; W16-W135 HydrophobicContact CE3-CZ2 3.92Å; W16-W135 HydrophobicContact CE3-CZ3 4.43Å; W16-W135 HydrophobicContact CG-CH2 4.28Å; W16-W135 HydrophobicContact CZ3-CH2 4.12Å; I74-W135 HydrophobicContact CG2-CH2 4.14Å; I74-W135 HydrophobicContact CG2-CZ3 3.87Å; V78-W135 HydrophobicContact CG2-CH2 3.79Å; V78-W135 HydrophobicContact CG2-CZ3 4.26Å; L115-W135 HydrophobicContact CD2-CE3 4.28Å; L116-W135 HydrophobicContact CD2-CB 3.82Å; L119-W135 HydrophobicContact CD1-CB 3.93Å; L119-W135 HydrophobicContact CD1-CD2 3.39Å; L119-W135 HydrophobicContact CD1-CE3 3.86Å; L119-W135 HydrophobicContact CD1-CG 3.42Å; L119-W135 VanDerWaalsContact CD1-CG 3.42Å; L119-W135 HydrophobicContact CD1-CZ2 4.43Å; L119-W135 HydrophobicContact CD2-CD2 4.39Å; L119-W135 HydrophobicContact CD2-CH2 4.49Å; L119-W135 HydrophobicContact CD2-CZ2 3.94Å; L131-W135 PolarHBondContact O-N 3.19Å; R132-W135 PolarHBondContact O-N 3.4Å; Q133-W135 PolarHBondContact O-N 2.87Å; W135-N137 VanDerWaalsContact C-N 3.33Å; W135-N137 PolarHBondContact O-N 3.47Å; W135-M138 HydrophobicContact CE3-CE 3.76Å; W135-M138 HydrophobicContact CE3-SD 4.34Å; W135-M138 HydrophobicContact CZ3-CE 3.64Å; W135-M138 HydrophobicContact CZ3-SD 4.19Å; W135-M138 PolarHBondContact O-N 3.07Å; W135-Y139 VanDerWaalsContact O-CB 3.26Å; W135-Y139 WeakPolarHBondContact O-CB 3.28Å; W135-Y139 PolarHBondContact O-N 3.17Å
136	L	97.8	Very high	96.3	Very high	50 Å²	50	39 Å²	39	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-61.6	-41.9	175.5	179.3	59.2	0	0	0	111.7	L116 R132 Q133 Y139 T140	L116-L136 HydrophobicContact CD1-CB 4.47Å; L116-L136 HydrophobicContact CD1-CD1 4.44Å; R132-L136 WeakPolarHBondContact O-CB 3.43Å; R132-L136 PolarHBondContact O-N 3.04Å; Q133-L136 PolarHBondContact O-N 3.17Å; L136-Y139 PolarHBondContact O-N 2.95Å; L136-T140 WeakPolarHBondContact O-CB 2.91Å; L136-T140 PolarHBondContact O-N 3.31Å; L136-T140 PolarHBondContact O-OG1 3.12Å
137	N	96.8	Very high	96.2	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-45.8	178.2	-70.7	-7.6	0	0	0	111	L4 E8 Q133 A134 W135 Y139 T140 I141	L4-N137 HydrophobicContact CD2-CB 3.56Å; E8-N137 PolarHBondContact OE1-ND2 3.33Å; Q133-N137 PolarHBondContact NE2-OD1 3.09Å; Q133-N137 WeakPolarHBondContact O-CB 3.49Å; Q133-N137 VanDerWaalsContact O-CG 3.23Å; Q133-N137 PolarHBondContact O-N 3.23Å; Q133-N137 PolarHBondContact O-OD1 2.76Å; A134-N137 PolarHBondContact O-N 2.94Å; W135-N137 VanDerWaalsContact C-N 3.33Å; W135-N137 PolarHBondContact O-N 3.47Å; N137-Y139 PolarHBondContact O-N 2.82Å; N137-T140 PolarHBondContact O-N 2.69Å; N137-I141 WeakPolarHBondContact O-CG1 3.33Å; N137-I141 PolarHBondContact O-N 2.87Å; N137-I141 VanDerWaalsContact O-N 3.11Å
138	M	96.4	Very high	95.9	Very high	4 Å²	4	42 Å²	42	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.2	-172.7	-153.1	77.6	0	0	111.4	L4 I12 A77 V78 L81 A134 W135 T140 I141 V142	L4-M138 HydrophobicContact CD1-CB 3.91Å; L4-M138 HydrophobicContact CD1-CG 4.09Å; L4-M138 HydrophobicContact CD2-CB 4.5Å; I12-M138 HydrophobicContact CD1-CB 3.81Å; I12-M138 HydrophobicContact CD1-CG 4.33Å; I12-M138 HydrophobicContact CD1-SD 4.4Å; I12-M138 HydrophobicContact CG2-SD 4Å; A77-M138 HydrophobicContact CB-SD 4.42Å; V78-M138 HydrophobicContact CG2-SD 4.28Å; L81-M138 HydrophobicContact CD2-CG 3.76Å; L81-M138 HydrophobicContact CD2-SD 3.86Å; A134-M138 PolarHBondContact O-N 3.28Å; W135-M138 HydrophobicContact CE3-CE 3.76Å; W135-M138 HydrophobicContact CE3-SD 4.34Å; W135-M138 HydrophobicContact CZ3-CE 3.64Å; W135-M138 HydrophobicContact CZ3-SD 4.19Å; W135-M138 PolarHBondContact O-N 3.07Å; M138-T140 VanDerWaalsContact C-N 3.33Å; M138-T140 PolarHBondContact O-N 3.29Å; M138-I141 WeakPolarHBondContact O-CB 3.38Å; M138-I141 PolarHBondContact O-N 3.32Å; M138-V142 WeakPolarHBondContact O-CG2 3.48Å; M138-V142 PolarHBondContact O-N 2.04Å
139	Y	96.6	Very high	95.4	Very high	29 Å²	29	39.1 Å²	39.1	11%	0.114	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-42.9	178.9	-179.4	-103.4	0	0	0	111.9	F108 V111 G112 L115 W135 L136 N137 I141 V142 V143	F108-Y139 VanDerWaalsContact O-CE1 3.31Å; F108-Y139 WeakPolarHBondContact O-CE1 3.36Å; F108-Y139 PolarHBondContact O-OH 2.79Å; V111-Y139 VanDerWaalsContact CB-OH 3.31Å; V111-Y139 WeakPolarHBondContact CB-OH 3.09Å; V111-Y139 HydrophobicContact CG1-CE2 4.21Å; V111-Y139 WeakPolarHBondContact CG1-OH 3.2Å; G112-Y139 VanDerWaalsContact CA-CZ 3.41Å; G112-Y139 PolarHBondContact N-OH 2.82Å; L115-Y139 HydrophobicContact CD2-CD2 3.79Å; L115-Y139 HydrophobicContact CD2-CG 4.25Å; W135-Y139 VanDerWaalsContact O-CB 3.26Å; W135-Y139 WeakPolarHBondContact O-CB 3.28Å; W135-Y139 PolarHBondContact O-N 3.17Å; L136-Y139 PolarHBondContact O-N 2.95Å; N137-Y139 PolarHBondContact O-N 2.82Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 PolarHBondContact O-N 3.25Å; Y139-V142 PolarHBondContact O-N 3.19Å; Y139-V142 VanDerWaalsContact O-N 3.15Å; Y139-V143 HydrophobicContact CD1-CG2 3.97Å; Y139-V143 HydrophobicContact CD2-CG2 4.25Å; Y139-V143 HydrophobicContact CE1-CG2 3.41Å; Y139-V143 VanDerWaalsContact CE1-CG2 3.41Å; Y139-V143 HydrophobicContact CE2-CG2 3.73Å; Y139-V143 HydrophobicContact CG-CG2 4.36Å; Y139-V143 WeakPolarHBondContact O-CG2 3.3Å; Y139-V143 PolarHBondContact O-N 3.42Å; Y139-V143 WeakPolarHBondContact OH-CG2 3.33Å
140	T	94.8	Very high	94.9	Very high	77 Å²	77	37.2 Å²	37.2	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-59.7	-40.2	176.6	-59.2	0	0	0	0	111.5	L136 N137 M138 A144	L136-T140 WeakPolarHBondContact O-CB 2.91Å; L136-T140 PolarHBondContact O-N 3.31Å; L136-T140 PolarHBondContact O-OG1 3.12Å; N137-T140 PolarHBondContact O-N 2.69Å; M138-T140 VanDerWaalsContact C-N 3.33Å; M138-T140 PolarHBondContact O-N 3.29Å; T140-A144 VanDerWaalsContact O-CB 3.25Å; T140-A144 WeakPolarHBondContact O-CB 3.35Å; T140-A144 PolarHBondContact O-N 3.28Å
141	I	93.9	Very high	93.6	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-46.9	175.2	-69	164	0	0	0	111.1	M1 E2 L4 L84 N137 M138 Y139 A144 A145	M1-I141 HydrophobicContact CE-CG2 3.25Å; M1-I141 HydrophobicContact CG-CG2 4.24Å; M1-I141 HydrophobicContact SD-CG2 4.05Å; E2-I141 WeakPolarHBondContact O-CD1 3.23Å; L4-I141 HydrophobicContact CD1-CD1 4.39Å; L4-I141 HydrophobicContact CD2-CD1 4.37Å; L4-I141 HydrophobicContact CG-CD1 3.94Å; L84-I141 HydrophobicContact CD1-CD1 4.33Å; L84-I141 HydrophobicContact CD1-CG2 3.95Å; N137-I141 WeakPolarHBondContact O-CG1 3.33Å; N137-I141 PolarHBondContact O-N 2.87Å; N137-I141 VanDerWaalsContact O-N 3.11Å; M138-I141 WeakPolarHBondContact O-CB 3.38Å; M138-I141 PolarHBondContact O-N 3.32Å; Y139-I141 VanDerWaalsContact C-N 3.29Å; Y139-I141 PolarHBondContact O-N 3.25Å; I141-A144 PolarHBondContact O-N 3.36Å; I141-A145 PolarHBondContact O-N 3.3Å; I141-A145 VanDerWaalsContact O-N 3.11Å
142	V	94.1	Very high	91.4	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-48.6	179	171.6	0	0	0	0	110.9	A77 L91 M138 Y139 A144 A145 M146	A77-V142 HydrophobicContact CB-CG2 4.16Å; L91-V142 HydrophobicContact CD1-CB 4.45Å; L91-V142 HydrophobicContact CD1-CG1 4.14Å; L91-V142 HydrophobicContact CD1-CG2 4.37Å; L91-V142 HydrophobicContact CD2-CG1 3.9Å; M138-V142 WeakPolarHBondContact O-CG2 3.48Å; M138-V142 PolarHBondContact O-N 2.04Å; Y139-V142 PolarHBondContact O-N 3.19Å; Y139-V142 VanDerWaalsContact O-N 3.15Å; V142-A144 VanDerWaalsContact C-N 3.32Å; V142-A144 PolarHBondContact O-N 3.22Å; V142-A145 PolarHBondContact O-N 3.02Å; V142-M146 HydrophobicContact CG1-CG 4.49Å; V142-M146 HydrophobicContact CG1-SD 4.16Å; V142-M146 WeakPolarHBondContact O-CG 3.39Å; V142-M146 PolarHBondContact O-N 3.35Å
143	V	93.7	Very high	88.5	Confident	22 Å²	22	45.9 Å²	45.9	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-38.6	177.7	170.2	0	0	0	0	111.5	F108 Y139 A145 M146 S147	F108-V143 HydrophobicContact CB-CG1 3.85Å; F108-V143 HydrophobicContact CB-CG2 4.04Å; F108-V143 HydrophobicContact CD1-CG2 4.07Å; F108-V143 HydrophobicContact CD2-CG1 4.27Å; F108-V143 HydrophobicContact CG-CG1 4.04Å; F108-V143 HydrophobicContact CG-CG2 4.14Å; Y139-V143 HydrophobicContact CD1-CG2 3.97Å; Y139-V143 HydrophobicContact CD2-CG2 4.25Å; Y139-V143 HydrophobicContact CE1-CG2 3.41Å; Y139-V143 VanDerWaalsContact CE1-CG2 3.41Å; Y139-V143 HydrophobicContact CE2-CG2 3.73Å; Y139-V143 HydrophobicContact CG-CG2 4.36Å; Y139-V143 WeakPolarHBondContact O-CG2 3.3Å; Y139-V143 PolarHBondContact O-N 3.42Å; Y139-V143 WeakPolarHBondContact OH-CG2 3.33Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 3.41Å; V143-M146 PolarHBondContact O-N 3.49Å; V143-S147 WeakPolarHBondContact O-CB 3.46Å; V143-S147 PolarHBondContact O-N 2.99Å; V143-S147 PolarHBondContact O-OG 3.08Å
144	A	92.6	Very high	85.9	Confident	40 Å²	40	44.7 Å²	44.7	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-40.1	176	0	0	0	0	0	111.6	T140 I141 V142 R148	T140-A144 VanDerWaalsContact O-CB 3.25Å; T140-A144 WeakPolarHBondContact O-CB 3.35Å; T140-A144 PolarHBondContact O-N 3.28Å; I141-A144 PolarHBondContact O-N 3.36Å; V142-A144 VanDerWaalsContact C-N 3.32Å; V142-A144 PolarHBondContact O-N 3.22Å; A144-R148 WeakPolarHBondContact O-CG 3.27Å; A144-R148 PolarHBondContact O-N 3.47Å
145	A	92.5	Very high	82.9	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-46	175.1	0	0	0	0	0	112.1	L91 I141 V142 V143 S147 R148	L91-A145 HydrophobicContact CB-CB 3.88Å; L91-A145 HydrophobicContact CD1-CB 3.86Å; I141-A145 PolarHBondContact O-N 3.3Å; I141-A145 VanDerWaalsContact O-N 3.11Å; V142-A145 PolarHBondContact O-N 3.02Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 3.41Å; A145-S147 PolarHBondContact O-N 3.26Å; A145-R148 PolarHBondContact O-N 3.07Å
146	M	93.6	Very high	79.9	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.059	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-43.5	175.9	-69.8	-175.8	64.4	0	0	112.1	L91 L94 G95 F108 V142 V143 R148 G149 W150	L91-M146 HydrophobicContact CB-CG 4.04Å; L91-M146 HydrophobicContact CD2-CG 4.15Å; L91-M146 HydrophobicContact CD2-SD 4.49Å; L91-M146 WeakPolarHBondContact O-CA 3.38Å; L91-M146 WeakPolarHBondContact O-CG 3.39Å; L94-M146 HydrophobicContact CB-CE 4.34Å; L94-M146 HydrophobicContact CD2-CE 3.95Å; L94-M146 HydrophobicContact CD2-SD 4.11Å; L94-M146 HydrophobicContact CG-CE 3.82Å; G95-M146 WeakPolarHBondContact CA-O 3.2Å; F108-M146 HydrophobicContact CE1-CE 3.85Å; F108-M146 HydrophobicContact CE1-SD 4.32Å; F108-M146 HydrophobicContact CZ-CE 3.71Å; V142-M146 HydrophobicContact CG1-CG 4.49Å; V142-M146 HydrophobicContact CG1-SD 4.16Å; V142-M146 WeakPolarHBondContact O-CG 3.39Å; V142-M146 PolarHBondContact O-N 3.35Å; V143-M146 PolarHBondContact O-N 3.49Å; M146-R148 PolarHBondContact O-N 3.06Å; M146-G149 WeakPolarHBondContact O-CA 3.24Å; M146-G149 PolarHBondContact O-N 2.97Å; M146-W150 HydrophobicContact CB-CZ3 4.24Å; M146-W150 VanDerWaalsContact O-CZ3 3.23Å; M146-W150 WeakPolarHBondContact O-CZ3 3.38Å
147	S	92.4	Very high	77	Confident	39 Å²	39	64.8 Å²	64.8	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-27	-178.2	-61.6	0	0	0	0	112.8	V143 A145 G149 W150	V143-S147 WeakPolarHBondContact O-CB 3.46Å; V143-S147 PolarHBondContact O-N 2.99Å; V143-S147 PolarHBondContact O-OG 3.08Å; A145-S147 PolarHBondContact O-N 3.26Å; S147-G149 PolarHBondContact O-N 2.75Å; S147-W150 WeakPolarHBondContact O-CB 3.44Å; S147-W150 PolarHBondContact O-N 3.48Å
148	R	91.1	Very high	74.4	Confident	109 Å²	109	68.2 Å²	68.2	41%	0.411	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.3	170.3	-69.2	-168.4	-72.7	-89.8	8.9	112.8	E88 L92 A144 A145 M146 W150	E88-R148 IonicContact OE1-CZ 3.84Å; E88-R148 VanDerWaalsContact OE1-CZ 3.24Å; E88-R148 IonicContact OE1-NE 2.85Å; E88-R148 PolarHBondContact OE1-NE 3.32Å; E88-R148 IonicContact OE1-NH2 3.92Å; E88-R148 PolarHBondContact OE1-NH2 3.27Å; E88-R148 IonicContact OE2-NH2 3.85Å; L92-R148 HydrophobicContact CD1-CB 4.45Å; A144-R148 WeakPolarHBondContact O-CG 3.27Å; A144-R148 PolarHBondContact O-N 3.47Å; A145-R148 PolarHBondContact O-N 3.07Å; M146-R148 PolarHBondContact O-N 3.06Å; R148-W150 VanDerWaalsContact C-N 3.31Å
149	G	87.9	Confident	71.9	Confident	2 Å²	2	79.2 Å²	79.2	2%	0.021	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-21.5	172.7	0	0	0	0	0	114	K96 Q99 M146 S147 A151	K96-G149 VanDerWaalsContact CG-O 3.28Å; K96-G149 WeakPolarHBondContact CG-O 3.19Å; Q99-G149 PolarHBondContact OE1-O 3.22Å; M146-G149 WeakPolarHBondContact O-CA 3.24Å; M146-G149 PolarHBondContact O-N 2.97Å; S147-G149 PolarHBondContact O-N 2.75Å; G149-A151 PolarHBondContact O-N 3.2Å; G149-A151 VanDerWaalsContact O-N 3.13Å
150	W	88.6	Confident	70.6	Confident	41 Å²	41	81.8 Å²	81.8	16%	0.155	44%	0.439	C	S	.	.	S	Bend	trans	-76	99	169.7	-81.2	-111.4	0	0	0	107.6	G95 H98 Q99 V103 T105 F108 M146 S147 R148 K152	G95-W150 WeakPolarHBondContact O-CH2 3.48Å; G95-W150 VanDerWaalsContact O-CZ3 3.29Å; G95-W150 WeakPolarHBondContact O-CZ3 3.27Å; H98-W150 HydrophobicContact CB-CH2 3.44Å; H98-W150 VanDerWaalsContact CB-CH2 3.44Å; H98-W150 HydrophobicContact CB-CZ2 3.75Å; Q99-W150 HydrophobicContact CB-CD2 4.02Å; Q99-W150 HydrophobicContact CB-CG 4.11Å; Q99-W150 HydrophobicContact CB-CZ2 4.11Å; Q99-W150 HydrophobicContact CG-CG 4.13Å; V103-W150 PolarHBondContact O-NE1 3.38Å; T105-W150 HydrophobicContact CG2-CB 4.21Å; T105-W150 HydrophobicContact CG2-CD2 3.59Å; T105-W150 HydrophobicContact CG2-CE3 4.23Å; T105-W150 HydrophobicContact CG2-CG 3.54Å; F108-W150 AromaticContact CE2-CH2 3.22Å; F108-W150 HydrophobicContact CE2-CH2 3.22Å; F108-W150 AromaticContact CE2-CZ2 3.69Å; F108-W150 HydrophobicContact CE2-CZ2 3.69Å; F108-W150 AromaticContact CE2-CZ3 3.69Å; F108-W150 HydrophobicContact CE2-CZ3 3.69Å; F108-W150 AromaticContact CZ-CH2 3.4Å; F108-W150 HydrophobicContact CZ-CH2 3.4Å; F108-W150 HydrophobicContact CZ-CZ2 4.12Å; F108-W150 HydrophobicContact CZ-CZ3 4.02Å; M146-W150 HydrophobicContact CB-CZ3 4.24Å; M146-W150 VanDerWaalsContact O-CZ3 3.23Å; M146-W150 WeakPolarHBondContact O-CZ3 3.38Å; S147-W150 WeakPolarHBondContact O-CB 3.44Å; S147-W150 PolarHBondContact O-N 3.48Å; R148-W150 VanDerWaalsContact C-N 3.31Å; W150-K152 PolarHBondContact O-N 3.05Å
151	A	70.9	Confident	69.4	Low	59 Å²	59	82 Å²	82	49%	0.488	44%	0.438	S	S	.	.			trans	-61.3	139.1	176	0	0	0	0	0	110.4	G149 N153	G149-A151 PolarHBondContact O-N 3.2Å; G149-A151 VanDerWaalsContact O-N 3.13Å; A151-N153 VanDerWaalsContact C-N 3.25Å; A151-N153 PolarHBondContact O-N 3.25Å
152	K	51.4	Low	68	Low	164 Å²	164	85.6 Å²	85.6	71%	0.713	46%	0.457	S	S	*	.			trans	-53.4	93.4	154.6	-84.4	-169.2	169.9	-167.7	0	107.7	W150 G154 E155	W150-K152 PolarHBondContact O-N 3.05Å; K152-G154 PolarHBondContact O-N 3.05Å; K152-E155 IonicContact NZ-OE1 3.85Å; K152-E155 PolarHBondContact NZ-OE1 3.3Å
153	N	39.6	Very low	66.5	Low	151 Å²	151	89.7 Å²	89.7	81%	0.807	48%	0.478	S	S	*	.	S	Bend	trans	-72.7	80.3	158.5	-76.1	-12.8	0	0	0	107.1	A151	A151-N153 VanDerWaalsContact C-N 3.25Å; A151-N153 PolarHBondContact O-N 3.25Å
154	G	41.8	Very low	64.8	Low	57 Å²	57	93.9 Å²	93.9	59%	0.588	50%	0.5	S	S	*	.			trans	157.5	67.6	178.3	0	0	0	0	0	113.6	K152	K152-G154 PolarHBondContact O-N 3.05Å
155	E	36.5	Very low	62.9	Low	126 Å²	126	97.5 Å²	97.5	59%	0.589	51%	0.511	S	S	*	.			trans	-170.9	70.4	148.2	-103	173.6	-102.4	0	0	107.3	K152 K157	K152-E155 IonicContact NZ-OE1 3.85Å; K152-E155 PolarHBondContact NZ-OE1 3.3Å; E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 3.13Å
156	H	35.6	Very low	60.8	Low	176 Å²	176	104.3 Å²	104.3	82%	0.815	55%	0.546	S	S	*	.			trans	-76.1	93.1	149.3	-157.4	57.4	0	0	0	104.7	T158	H156-T158 VanDerWaalsContact C-N 3.32Å; H156-T158 PolarHBondContact O-N 3.04Å; H156-T158 VanDerWaalsContact O-N 3.13Å
157	K	37.4	Very low	58.3	Low	169 Å²	169	111.4 Å²	111.4	74%	0.735	58%	0.584	S	S	*	*			trans	-70.1	100.8	161	-77	-175	-179.8	178	0	105.5	E155	E155-K157 VanDerWaalsContact C-N 3.26Å; E155-K157 PolarHBondContact O-N 3.13Å
158	T	41.8	Very low	55.4	Low	119 Å²	119	117.4 Å²	117.4	73%	0.73	61%	0.609	S	S	*	*			trans	-60.9	128.6	158.9	2.3	0	0	0	0	107.6	H156	H156-T158 VanDerWaalsContact C-N 3.32Å; H156-T158 PolarHBondContact O-N 3.04Å; H156-T158 VanDerWaalsContact O-N 3.13Å
159	D	42.9	Very low	52.2	Low	236 Å²	236	118.2 Å²	118.2	100%	1.262	63%	0.627	S	S	*	*			trans	-54.2	0	164.1	-73.7	-37.1	0	0	0	112

Retrieved 159 of 159 residues in 55.8 ms (Link to these results)

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