A0A087YLL2_POEFO Loading...

Mitochondrial dicarboxylate carrier

Catalyzes the electroneutral exchange or flux of physiologically important metabolites such as dicarboxylates (malonate, malate, succinate), inorganic sulfur-containing anions, and phosphate, across mitochondrial inner membrane. Plays an important role in gluconeogenesis, fatty acid metabolism, urea synthesis, and sulfur metabolism, particularly in liver, by supplying the substrates for the different metabolic processes. Regulates fatty acid release from adipocytes, and contributes to systemic insulin sensitivity.

AlphaFold DB (A0A3B3UMN9), UniProt , Accession A0A087YLL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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	32.8	Very low	47.5	Very low	219 Å²	219	115.6 Å²	115.6	100%	1.079	54%	0.538	S	S	*	.				0	103.1	0	-77.8	170.4	165.8	0	0	108.3	E3	M1-E3 PolarHBondContact O-N 3.4Å
2	T	32.9	Very low	48.8	Very low	145 Å²	145	108 Å²	108	89%	0.89	51%	0.514	S	S	*	.			trans	-80.2	103.3	-175.8	-38.7	0	0	0	0	108.5	K4	T2-K4 PolarHBondContact O-N 3.05Å
3	E	35.7	Very low	50.1	Low	122 Å²	122	101.6 Å²	101.6	57%	0.57	49%	0.494	S	S	*	.			trans	-54.7	106.2	178.4	-82.5	-166	166.4	0	0	110.6	M1 R5	M1-E3 PolarHBondContact O-N 3.4Å; E3-R5 PolarHBondContact O-N 2.8Å; E3-R5 IonicContact OE2-CZ 3.81Å; E3-R5 IonicContact OE2-NE 2.95Å; E3-R5 PolarHBondContact OE2-NE 2.92Å; E3-R5 IonicContact OE2-NH2 3.56Å; E3-R5 PolarHBondContact OE2-NH2 3.32Å
4	K	41.8	Very low	51.5	Low	173 Å²	173	101.8 Å²	101.8	75%	0.752	50%	0.498	S	S	*	.			trans	-93.6	87.2	177.6	-138.8	174.5	-170.6	174.8	0	109.1	T2 M6	T2-K4 PolarHBondContact O-N 3.05Å; K4-M6 PolarHBondContact O-N 2.92Å
5	R	45.1	Very low	52.5	Low	72 Å²	72	95.1 Å²	95.1	27%	0.272	47%	0.465	S	S	.	.			trans	-75.8	115.5	174.1	-66.7	-171.5	-170.2	-171.9	4.9	110.5	E3 K278	E3-R5 PolarHBondContact O-N 2.8Å; E3-R5 IonicContact OE2-CZ 3.81Å; E3-R5 IonicContact OE2-NE 2.95Å; E3-R5 PolarHBondContact OE2-NE 2.92Å; E3-R5 IonicContact OE2-NH2 3.56Å; E3-R5 PolarHBondContact OE2-NH2 3.32Å; R5-K278 PolarHBondContact NH1-O 3.19Å
6	M	46.4	Very low	53.3	Low	132 Å²	132	90.6 Å²	90.6	65%	0.65	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-82.5	130	-176.7	-159.6	170.1	69.7	0	0	111.1	K4 I284	K4-M6 PolarHBondContact O-N 2.92Å; M6-I284 HydrophobicContact CB-CD1 3.79Å; M6-I284 HydrophobicContact CE-CD1 4.36Å; M6-I284 HydrophobicContact SD-CD1 4.41Å
7	S	47.8	Very low	54.2	Low	44 Å²	44	86.9 Å²	86.9	31%	0.308	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-86.7	123.9	175.5	-179.6	0	0	0	0	110.2	K277	S7-K277 VanDerWaalsContact CB-CE 3.4Å
8	R	56.8	Low	55.3	Low	128 Å²	128	83.3 Å²	83.3	48%	0.483	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-68.7	153.7	166.1	-65.6	174.6	86.2	-169.4	20	109.9	Y10 F11	R8-Y10 HydrophobicContact CB-CD1 3.74Å; R8-Y10 HydrophobicContact CB-CE1 3.32Å; R8-Y10 HydrophobicContact CB-CE2 4.33Å; R8-Y10 HydrophobicContact CB-CG 4.42Å; R8-Y10 VanDerWaalsContact CD-OH 3.25Å; R8-Y10 WeakPolarHBondContact CD-OH 3.39Å; R8-Y10 HydrophobicContact CG-CE1 3.98Å; R8-Y10 PolarHBondContact NH1-OH 3.27Å; R8-Y10 PolarHBondContact O-N 2.76Å; R8-F11 HydrophobicContact CB-CD2 4.12Å; R8-F11 HydrophobicContact CB-CE2 4.19Å; R8-F11 PolarHBondContact O-N 3.27Å; R8-F11 VanDerWaalsContact O-N 3.12Å
9	W	55.8	Low	56	Low	147 Å²	147	78.9 Å²	78.9	56%	0.557	40%	0.398	S	S	*	.	H	α-helix	trans	-58.6	-32.1	-174.8	55.6	-88.2	0	0	0	113.4	F11 G12 L75	W9-F11 PolarHBondContact O-N 3.16Å; W9-G12 PolarHBondContact O-N 3.31Å; W9-L75 HydrophobicContact CZ3-CD1 4.21Å
10	Y	62.9	Low	56.6	Low	76 Å²	76	75.1 Å²	75.1	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-73.1	-21.1	178.7	59.2	-102.1	0	0	0	114.2	R8 G12 G13 L14	R8-Y10 HydrophobicContact CB-CD1 3.74Å; R8-Y10 HydrophobicContact CB-CE1 3.32Å; R8-Y10 HydrophobicContact CB-CE2 4.33Å; R8-Y10 HydrophobicContact CB-CG 4.42Å; R8-Y10 VanDerWaalsContact CD-OH 3.25Å; R8-Y10 WeakPolarHBondContact CD-OH 3.39Å; R8-Y10 HydrophobicContact CG-CE1 3.98Å; R8-Y10 PolarHBondContact NH1-OH 3.27Å; R8-Y10 PolarHBondContact O-N 2.76Å; Y10-G12 VanDerWaalsContact C-N 3.28Å; Y10-G12 PolarHBondContact O-N 3.25Å; Y10-G13 PolarHBondContact O-N 3.42Å; Y10-G13 VanDerWaalsContact O-N 3.17Å; Y10-L14 HydrophobicContact CD2-CD1 4.34Å; Y10-L14 PolarHBondContact O-N 3.1Å
11	F	65	Low	57.4	Low	14 Å²	14	73.5 Å²	73.5	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-66	-33.2	175.3	-69.8	-49.2	0	0	0	111.9	R8 W9 A15 L276 F280	R8-F11 HydrophobicContact CB-CD2 4.12Å; R8-F11 HydrophobicContact CB-CE2 4.19Å; R8-F11 PolarHBondContact O-N 3.27Å; R8-F11 VanDerWaalsContact O-N 3.12Å; W9-F11 PolarHBondContact O-N 3.16Å; F11-A15 WeakPolarHBondContact O-CB 3.34Å; F11-A15 PolarHBondContact O-N 3.35Å; F11-L276 HydrophobicContact CD1-CB 4.14Å; F11-F280 HydrophobicContact CE1-CB 3.8Å; F11-F280 HydrophobicContact CZ-CB 3.77Å; F11-F280 WeakPolarHBondContact CZ-O 3.42Å
12	G	62.3	Low	59.3	Low	24 Å²	24	66.2 Å²	66.2	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-66.1	-39.1	172.1	0	0	0	0	0	112.2	W9 Y10 S16	W9-G12 PolarHBondContact O-N 3.31Å; Y10-G12 VanDerWaalsContact C-N 3.28Å; Y10-G12 PolarHBondContact O-N 3.25Å; G12-S16 VanDerWaalsContact O-CB 3.28Å; G12-S16 WeakPolarHBondContact O-CB 3.25Å; G12-S16 PolarHBondContact O-N 2.68Å; G12-S16 PolarHBondContact O-OG 3.4Å
13	G	65.9	Low	61	Low	25 Å²	25	59.5 Å²	59.5	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-50.1	174.4	0	0	0	0	0	112.4	Y10 S16 C17	Y10-G13 PolarHBondContact O-N 3.42Å; Y10-G13 VanDerWaalsContact O-N 3.17Å; G13-S16 PolarHBondContact O-N 3.14Å; G13-C17 PolarHBondContact O-N 2.77Å; G13-C17 PolarHBondContact O-SG 3.44Å
14	L	69.3	Low	62.7	Low	104 Å²	104	53.8 Å²	53.8	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-44.5	177.3	-102.8	123.3	0	0	0	112.7	Y10 S16 C17 G18 L276	Y10-L14 HydrophobicContact CD2-CD1 4.34Å; Y10-L14 PolarHBondContact O-N 3.1Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 2.7Å; L14-C17 PolarHBondContact O-N 3.17Å; L14-G18 PolarHBondContact O-N 3.49Å; L14-L276 HydrophobicContact CB-CD1 4.08Å
15	A	66.5	Low	63.8	Low	1 Å²	1	47 Å²	47	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-40.1	177	0	0	0	0	0	111.9	F11 G18 A19 T269 F272 L273 L276	F11-A15 WeakPolarHBondContact O-CB 3.34Å; F11-A15 PolarHBondContact O-N 3.35Å; A15-G18 PolarHBondContact O-N 2.87Å; A15-A19 WeakPolarHBondContact O-CB 3.29Å; A15-A19 PolarHBondContact O-N 2.88Å; A15-T269 HydrophobicContact CB-CG2 4.26Å; A15-T269 WeakPolarHBondContact CB-O 3.4Å; A15-F272 HydrophobicContact CB-CB 3.87Å; A15-L273 HydrophobicContact CB-CB 3.79Å; A15-L276 HydrophobicContact CB-CD1 4.07Å
16	S	66.1	Low	64.9	Low	23 Å²	23	48.7 Å²	48.7	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-36	176.3	-56.2	0	0	0	0	111.9	G12 G13 L14 A20	G12-S16 VanDerWaalsContact O-CB 3.28Å; G12-S16 WeakPolarHBondContact O-CB 3.25Å; G12-S16 PolarHBondContact O-N 2.68Å; G12-S16 PolarHBondContact O-OG 3.4Å; G13-S16 PolarHBondContact O-N 3.14Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 2.7Å; S16-A20 WeakPolarHBondContact O-CB 3.49Å; S16-A20 PolarHBondContact O-N 3.06Å
17	C	68.8	Low	65.8	Low	28 Å²	28	43.5 Å²	43.5	19%	0.189	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-43.1	174.3	-66.9	0	0	0	0	111.1	G13 L14 A20 C21 L67	G13-C17 PolarHBondContact O-N 2.77Å; G13-C17 PolarHBondContact O-SG 3.44Å; L14-C17 PolarHBondContact O-N 3.17Å; C17-A20 PolarHBondContact O-N 3.35Å; C17-C21 PolarHBondContact O-N 3.08Å; C17-C21 PolarHBondContact O-SG 3.17Å; C17-L67 HydrophobicContact CB-CD2 3.59Å
18	G	73.2	Confident	66.6	Low	22 Å²	22	41.4 Å²	41.4	23%	0.227	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-45	174.4	0	0	0	0	0	112.5	L14 A15 C21 C22 F272	L14-G18 PolarHBondContact O-N 3.49Å; A15-G18 PolarHBondContact O-N 2.87Å; G18-C21 WeakPolarHBondContact O-CB 3.35Å; G18-C21 PolarHBondContact O-N 3.44Å; G18-C22 PolarHBondContact O-N 2.97Å; G18-C22 PolarHBondContact O-SG 3.27Å; G18-F272 VanDerWaalsContact C-CE2 3.47Å
19	A	68.6	Low	67	Low	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-44.6	174.7	0	0	0	0	0	112	A15 C21 C22 T23 L268 T269 F272	A15-A19 WeakPolarHBondContact O-CB 3.29Å; A15-A19 PolarHBondContact O-N 2.88Å; A19-C21 VanDerWaalsContact C-N 3.32Å; A19-C21 PolarHBondContact O-N 3.42Å; A19-C22 PolarHBondContact O-N 3.29Å; A19-C22 VanDerWaalsContact O-N 3.09Å; A19-T23 WeakPolarHBondContact O-CG2 3.46Å; A19-T23 PolarHBondContact O-N 3.32Å; A19-T23 PolarHBondContact O-OG1 3.5Å; A19-L268 HydrophobicContact CB-CB 3.86Å; A19-T269 WeakPolarHBondContact CB-OG1 3.24Å; A19-F272 HydrophobicContact CB-CD2 4.23Å
20	A	68	Low	67.4	Low	3 Å²	3	29.7 Å²	29.7	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-42.3	176.5	0	0	0	0	0	111.2	S16 C17 C22 T23 H24	S16-A20 WeakPolarHBondContact O-CB 3.49Å; S16-A20 PolarHBondContact O-N 3.06Å; C17-A20 PolarHBondContact O-N 3.35Å; A20-C22 VanDerWaalsContact C-N 3.27Å; A20-C22 PolarHBondContact O-N 2.88Å; A20-T23 PolarHBondContact O-N 2.91Å; A20-H24 WeakPolarHBondContact O-CA 3.37Å; A20-H24 VanDerWaalsContact O-CB 3.22Å; A20-H24 WeakPolarHBondContact O-CB 3.44Å; A20-H24 PolarHBondContact O-N 3.49Å
21	C	74.7	Confident	67.3	Low	42 Å²	42	27.6 Å²	27.6	28%	0.284	18%	0.176	S	C	.	.	H	α-helix	trans	-57.2	-40.6	174.6	-69.2	0	0	0	0	112.3	C17 G18 A19	C17-C21 PolarHBondContact O-N 3.08Å; C17-C21 PolarHBondContact O-SG 3.17Å; G18-C21 WeakPolarHBondContact O-CB 3.35Å; G18-C21 PolarHBondContact O-N 3.44Å; A19-C21 VanDerWaalsContact C-N 3.32Å; A19-C21 PolarHBondContact O-N 3.42Å
22	C	72.3	Confident	67.1	Low	66 Å²	66	27.5 Å²	27.5	45%	0.446	18%	0.176	S	C	.	.	H	α-helix	trans	-76	-32.5	178.8	-63.8	0	0	0	0	113.3	G18 A19 A20 L268	G18-C22 PolarHBondContact O-N 2.97Å; G18-C22 PolarHBondContact O-SG 3.27Å; A19-C22 PolarHBondContact O-N 3.29Å; A19-C22 VanDerWaalsContact O-N 3.09Å; A20-C22 VanDerWaalsContact C-N 3.27Å; A20-C22 PolarHBondContact O-N 2.88Å; C22-L268 HydrophobicContact CB-CD1 3.88Å
23	T	68.9	Low	67	Low	4 Å²	4	28.6 Å²	28.6	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-93.2	-10.6	-178.9	63.2	0	0	0	0	114.1	A19 A20 P25 L26 D27 H265 L268	A19-T23 WeakPolarHBondContact O-CG2 3.46Å; A19-T23 PolarHBondContact O-N 3.32Å; A19-T23 PolarHBondContact O-OG1 3.5Å; A20-T23 PolarHBondContact O-N 2.91Å; T23-P25 VanDerWaalsContact C-CD 3.42Å; T23-P25 VanDerWaalsContact C-N 3.33Å; T23-L26 WeakPolarHBondContact O-CA 3.3Å; T23-L26 WeakPolarHBondContact O-CB 3.48Å; T23-L26 PolarHBondContact O-N 2.74Å; T23-D27 PolarHBondContact O-N 3.18Å; T23-D27 PolarHBondContact OG1-OD2 2.89Å; T23-H265 HydrophobicContact CG2-CB 4.16Å; T23-L268 HydrophobicContact CG2-CD1 3.63Å
24	H	69.5	Low	66.3	Low	2 Å²	2	32.4 Å²	32.4	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-54.1	-40.5	-177.4	-159.1	57.1	0	0	0	113.7	A20 L26 D27 L28 L59 S61 L63	A20-H24 WeakPolarHBondContact O-CA 3.37Å; A20-H24 VanDerWaalsContact O-CB 3.22Å; A20-H24 WeakPolarHBondContact O-CB 3.44Å; A20-H24 PolarHBondContact O-N 3.49Å; H24-L26 VanDerWaalsContact C-N 3.32Å; H24-L26 PolarHBondContact O-N 3.35Å; H24-D27 PolarHBondContact O-N 3.38Å; H24-L28 WeakPolarHBondContact O-CB 3.48Å; H24-L28 PolarHBondContact O-N 3.43Å; H24-L59 PolarHBondContact CD2-O 3.21Å; H24-S61 PolarHBondContact NE2-O 2.87Å; H24-L63 HydrophobicContact CB-CD1 4.02Å; H24-L63 PolarHBondContact NE2-N 2.92Å
25	P	66.3	Low	65.4	Low	29 Å²	29	29.6 Å²	29.6	19%	0.188	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-39.3	175.1	-24.1	35.2	0	0	0	113.1	T23 V29 L59	T23-P25 VanDerWaalsContact C-CD 3.42Å; T23-P25 VanDerWaalsContact C-N 3.33Å; P25-V29 VanDerWaalsContact O-CG2 3.25Å; P25-V29 WeakPolarHBondContact O-CG2 3.47Å; P25-V29 PolarHBondContact O-N 3.36Å; P25-V29 VanDerWaalsContact O-N 3.1Å; P25-L59 HydrophobicContact CB-CB 4.2Å; P25-L59 HydrophobicContact CB-CD1 4.41Å; P25-L59 HydrophobicContact CB-CD2 4.44Å; P25-L59 HydrophobicContact CG-CB 4.41Å
26	L	67.4	Low	64.5	Low	108 Å²	108	33.2 Å²	33.2	57%	0.565	19%	0.191	S	C	*	.	H	α-helix	trans	-69.3	-38.7	176.8	-71.8	165.9	0	0	0	111.2	T23 H24 K30	T23-L26 WeakPolarHBondContact O-CA 3.3Å; T23-L26 WeakPolarHBondContact O-CB 3.48Å; T23-L26 PolarHBondContact O-N 2.74Å; H24-L26 VanDerWaalsContact C-N 3.32Å; H24-L26 PolarHBondContact O-N 3.35Å; L26-K30 WeakPolarHBondContact O-CB 3.43Å; L26-K30 PolarHBondContact O-N 2.74Å
27	D	65.3	Low	63.2	Low	23 Å²	23	39.4 Å²	39.4	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-43.1	176.9	-72.3	-30.7	0	0	0	111.6	T23 H24 K30 V31 R261	T23-D27 PolarHBondContact O-N 3.18Å; T23-D27 PolarHBondContact OG1-OD2 2.89Å; H24-D27 PolarHBondContact O-N 3.38Å; D27-K30 PolarHBondContact O-N 2.84Å; D27-V31 WeakPolarHBondContact O-CG2 3.22Å; D27-V31 PolarHBondContact O-N 3.49Å; D27-R261 WeakPolarHBondContact OD1-CD 3.4Å; D27-R261 WeakPolarHBondContact OD1-CG 3.18Å
28	L	65.4	Low	62	Low	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-44.7	178	-167.6	153.2	0	0	0	111.5	H24 K30 V31 H32 A58 M130	H24-L28 WeakPolarHBondContact O-CB 3.48Å; H24-L28 PolarHBondContact O-N 3.43Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.11Å; L28-V31 PolarHBondContact O-N 3.17Å; L28-H32 VanDerWaalsContact CD2-CE1 3.41Å; L28-H32 WeakPolarHBondContact CD2-CE1 3.47Å; L28-H32 VanDerWaalsContact CD2-ND1 3.31Å; L28-H32 WeakPolarHBondContact CD2-ND1 3.46Å; L28-H32 WeakPolarHBondContact O-CB 3.47Å; L28-H32 PolarHBondContact O-N 2.95Å; L28-H32 PolarHBondContact O-ND1 3.05Å; L28-A58 WeakPolarHBondContact CD1-O 3.36Å; L28-M130 HydrophobicContact CD1-SD 4.26Å
29	V	65.4	Low	60.9	Low	9 Å²	9	49.9 Å²	49.9	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-38.6	176.3	171.5	0	0	0	0	111.2	P25 H32 L33 M43 M46 A47	P25-V29 VanDerWaalsContact O-CG2 3.25Å; P25-V29 WeakPolarHBondContact O-CG2 3.47Å; P25-V29 PolarHBondContact O-N 3.36Å; P25-V29 VanDerWaalsContact O-N 3.1Å; V29-H32 WeakPolarHBondContact O-CB 3.33Å; V29-H32 PolarHBondContact O-N 3.3Å; V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 WeakPolarHBondContact O-CD1 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.48Å; V29-M43 HydrophobicContact CG1-CG 4.47Å; V29-M46 HydrophobicContact CG1-CB 4.33Å; V29-M46 HydrophobicContact CG1-CG 4.48Å; V29-A47 HydrophobicContact CG2-CB 3.87Å
30	K	63.5	Low	59.8	Low	20 Å²	20	57.3 Å²	57.3	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-48	176.5	178.8	180	175.1	170.8	0	112.2	L26 D27 L28 H32 L33 Q34 P257 R261	L26-K30 WeakPolarHBondContact O-CB 3.43Å; L26-K30 PolarHBondContact O-N 2.74Å; D27-K30 PolarHBondContact O-N 2.84Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.11Å; K30-H32 PolarHBondContact O-N 3.5Å; K30-L33 PolarHBondContact O-N 3.24Å; K30-L33 VanDerWaalsContact O-N 3.14Å; K30-Q34 VanDerWaalsContact CE-NE2 3.34Å; K30-Q34 HydrophobicContact CG-CG 4.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.1Å; K30-Q34 PolarHBondContact O-N 2.91Å; K30-P257 PolarHBondContact NZ-O 3.22Å; K30-R261 HydrophobicContact CD-CB 4.44Å
31	V	60.4	Low	59	Low	32 Å²	32	62.7 Å²	62.7	19%	0.194	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-40.4	176.9	171.3	0	0	0	0	109.5	D27 L28 L33 Q34 T35	D27-V31 WeakPolarHBondContact O-CG2 3.22Å; D27-V31 PolarHBondContact O-N 3.49Å; L28-V31 PolarHBondContact O-N 3.17Å; V31-L33 PolarHBondContact O-N 3.29Å; V31-Q34 PolarHBondContact O-N 2.95Å; V31-T35 PolarHBondContact O-N 3.43Å; V31-T35 VanDerWaalsContact O-N 3.11Å; V31-T35 PolarHBondContact O-OG1 3.43Å
32	H	61.8	Low	58.4	Low	13 Å²	13	71.3 Å²	71.3	6%	0.06	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-47.8	174.6	-86.5	79.6	0	0	0	113	L28 V29 K30 T35 Q36 M46 K131	L28-H32 VanDerWaalsContact CD2-CE1 3.41Å; L28-H32 WeakPolarHBondContact CD2-CE1 3.47Å; L28-H32 VanDerWaalsContact CD2-ND1 3.31Å; L28-H32 WeakPolarHBondContact CD2-ND1 3.46Å; L28-H32 WeakPolarHBondContact O-CB 3.47Å; L28-H32 PolarHBondContact O-N 2.95Å; L28-H32 PolarHBondContact O-ND1 3.05Å; V29-H32 WeakPolarHBondContact O-CB 3.33Å; V29-H32 PolarHBondContact O-N 3.3Å; K30-H32 PolarHBondContact O-N 3.5Å; H32-T35 PolarHBondContact O-N 3.29Å; H32-T35 PolarHBondContact O-OG1 3.48Å; H32-Q36 WeakPolarHBondContact O-CG 3.38Å; H32-Q36 PolarHBondContact O-N 3.28Å; H32-M46 HydrophobicContact CB-CG 4.23Å; H32-K131 WeakPolarHBondContact CD2-CE 3.38Å; H32-K131 WeakPolarHBondContact NE2-CG 3.44Å; H32-K131 PolarHBondContact O-NZ 2.92Å
33	L	60.2	Low	57.6	Low	47 Å²	47	72.9 Å²	72.9	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-40.7	178.2	-76.4	154.7	0	0	0	113.1	V29 K30 V31 T35 Q36 R41 M43	V29-L33 HydrophobicContact CG1-CD1 4.04Å; V29-L33 WeakPolarHBondContact O-CD1 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.26Å; V29-L33 PolarHBondContact O-N 3.48Å; K30-L33 PolarHBondContact O-N 3.24Å; K30-L33 VanDerWaalsContact O-N 3.14Å; V31-L33 PolarHBondContact O-N 3.29Å; L33-T35 PolarHBondContact O-N 2.85Å; L33-Q36 PolarHBondContact O-N 2.87Å; L33-R41 WeakPolarHBondContact CD2-O 3.44Å; L33-M43 HydrophobicContact CD1-CB 4.13Å; L33-M43 HydrophobicContact CD1-CG 3.2Å; L33-M43 HydrophobicContact CD1-SD 4.49Å
34	Q	49.9	Very low	57.4	Low	104 Å²	104	77.9 Å²	77.9	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-68.7	-24.8	-179	-72.9	-174.7	-35.6	0	0	112.9	K30 V31	K30-Q34 VanDerWaalsContact CE-NE2 3.34Å; K30-Q34 HydrophobicContact CG-CG 4.29Å; K30-Q34 WeakPolarHBondContact O-CG 3.1Å; K30-Q34 PolarHBondContact O-N 2.91Å; V31-Q34 PolarHBondContact O-N 2.95Å
35	T	51.4	Low	57.2	Low	45 Å²	45	79.4 Å²	79.4	28%	0.276	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.1	178.1	47.8	0	0	0	0	113	V31 H32 L33 K131	V31-T35 PolarHBondContact O-N 3.43Å; V31-T35 VanDerWaalsContact O-N 3.11Å; V31-T35 PolarHBondContact O-OG1 3.43Å; H32-T35 PolarHBondContact O-N 3.29Å; H32-T35 PolarHBondContact O-OG1 3.48Å; L33-T35 PolarHBondContact O-N 2.85Å; T35-K131 PolarHBondContact OG1-NZ 2.89Å
36	Q	46.4	Very low	57.1	Low	78 Å²	78	78.5 Å²	78.5	36%	0.364	39%	0.388	S	S	.	.			trans	-78	122.7	166.1	-78.6	-157	-51	0	0	109.6	H32 L33 E38 M46	H32-Q36 WeakPolarHBondContact O-CG 3.38Å; H32-Q36 PolarHBondContact O-N 3.28Å; L33-Q36 PolarHBondContact O-N 2.87Å; Q36-E38 VanDerWaalsContact C-N 3.3Å; Q36-M46 VanDerWaalsContact CD-CE 3.43Å; Q36-M46 HydrophobicContact CG-CE 4.45Å
37	Q	40.6	Very low	56.9	Low	153 Å²	153	74.8 Å²	74.8	72%	0.715	37%	0.373	S	S	*	.	S	Bend	trans	-73.2	-21.5	176.1	-74.7	-179.1	-44.3	0	0	112.7
38	E	43	Very low	57	Low	118 Å²	118	77.9 Å²	77.9	55%	0.551	39%	0.393	S	S	*	.	S	Bend	trans	-117.5	130	176.4	-67.3	-174	154	0	0	111.4	Q36 K40	Q36-E38 VanDerWaalsContact C-N 3.3Å; E38-K40 HydrophobicContact CB-CG 4.45Å; E38-K40 PolarHBondContact O-N 3.28Å; E38-K40 VanDerWaalsContact OE2-CE 3.22Å; E38-K40 WeakPolarHBondContact OE2-CE 3.44Å; E38-K40 IonicContact OE2-NZ 3.74Å; E38-K40 PolarHBondContact OE2-NZ 3.2Å
39	V	49.3	Very low	57.2	Low	151 Å²	151	81.3 Å²	81.3	92%	0.915	41%	0.408	S	S	*	.			trans	-76.6	66.7	177.7	-170.6	0	0	0	0	109.8
40	K	46.8	Very low	57.2	Low	156 Å²	156	81.1 Å²	81.1	68%	0.678	41%	0.407	S	S	*	.			trans	-86.4	-20.3	-179.9	-89.6	175	173.2	155	0	113.6	E38	E38-K40 HydrophobicContact CB-CG 4.45Å; E38-K40 PolarHBondContact O-N 3.28Å; E38-K40 VanDerWaalsContact OE2-CE 3.22Å; E38-K40 WeakPolarHBondContact OE2-CE 3.44Å; E38-K40 IonicContact OE2-NZ 3.74Å; E38-K40 PolarHBondContact OE2-NZ 3.2Å
41	R	51	Low	57.7	Low	117 Å²	117	82.9 Å²	82.9	44%	0.442	42%	0.42	S	S	.	.			trans	-143.5	142.3	-174.5	-68.7	-172	177.6	167.5	1.1	115.2	L33 M46 H49	L33-R41 WeakPolarHBondContact CD2-O 3.44Å; R41-M46 HydrophobicContact CB-CE 4.19Å; R41-H49 PolarHBondContact NH1-CD2 3.2Å; R41-H49 PolarHBondContact NH1-CE1 3.06Å; R41-H49 VanDerWaalsContact NH1-CE1 3.34Å; R41-H49 PolarHBondContact NH1-ND1 2.69Å; R41-H49 PolarHBondContact NH1-NE2 2.92Å
42	R	60.6	Low	58.1	Low	222 Å²	222	91.6 Å²	91.6	84%	0.838	45%	0.449	S	S	*	.			trans	-69.7	156.5	170.4	-91.4	176.1	158.8	173	-5.9	111.6	V44 G45 M46	R42-V44 VanDerWaalsContact C-N 3.29Å; R42-V44 PolarHBondContact O-N 3.21Å; R42-G45 PolarHBondContact O-N 3.37Å; R42-M46 PolarHBondContact O-N 3.15Å
43	M	56.5	Low	58.4	Low	99 Å²	99	95.9 Å²	95.9	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-45.2	-47.7	179.4	-94.4	-173.6	-79.1	0	0	114.3	V29 L33 M46 A47	V29-M43 HydrophobicContact CG1-CG 4.47Å; L33-M43 HydrophobicContact CD1-CB 4.13Å; L33-M43 HydrophobicContact CD1-CG 3.2Å; L33-M43 HydrophobicContact CD1-SD 4.49Å; M43-M46 PolarHBondContact O-N 3.45Å; M43-A47 PolarHBondContact O-N 3.47Å; M43-A47 VanDerWaalsContact O-N 3.07Å
44	V	64.8	Low	58.6	Low	110 Å²	110	96.7 Å²	96.7	67%	0.667	48%	0.477	S	S	*	.	H	α-helix	trans	-68.2	-39.7	-178.2	-173.6	0	0	0	0	111.4	R42 M46 A47 V48	R42-V44 VanDerWaalsContact C-N 3.29Å; R42-V44 PolarHBondContact O-N 3.21Å; V44-M46 VanDerWaalsContact C-N 3.31Å; V44-M46 PolarHBondContact O-N 3.37Å; V44-A47 PolarHBondContact O-N 2.93Å; V44-V48 WeakPolarHBondContact O-CG2 3.28Å; V44-V48 PolarHBondContact O-N 3.28Å
45	G	64.6	Low	59.6	Low	34 Å²	34	93.1 Å²	93.1	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-68.3	-30.3	177.8	0	0	0	0	0	113.1	R42 H49	R42-G45 PolarHBondContact O-N 3.37Å; G45-H49 VanDerWaalsContact O-CB 3.29Å; G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.92Å; G45-H49 VanDerWaalsContact O-N 3.14Å
46	M	63.9	Low	60.5	Low	9 Å²	9	95.5 Å²	95.5	4%	0.044	48%	0.482	C	S	.	.	H	α-helix	trans	-70.6	-45.9	172.3	-170.3	59.5	63.1	0	0	111.3	V29 H32 Q36 R41 R42 M43 V44 V48 H49 V50	V29-M46 HydrophobicContact CG1-CB 4.33Å; V29-M46 HydrophobicContact CG1-CG 4.48Å; H32-M46 HydrophobicContact CB-CG 4.23Å; Q36-M46 VanDerWaalsContact CD-CE 3.43Å; Q36-M46 HydrophobicContact CG-CE 4.45Å; R41-M46 HydrophobicContact CB-CE 4.19Å; R42-M46 PolarHBondContact O-N 3.15Å; M43-M46 PolarHBondContact O-N 3.45Å; V44-M46 VanDerWaalsContact C-N 3.31Å; V44-M46 PolarHBondContact O-N 3.37Å; M46-V48 PolarHBondContact O-N 3.17Å; M46-H49 PolarHBondContact O-N 2.94Å; M46-V50 WeakPolarHBondContact O-CG2 3.43Å; M46-V50 PolarHBondContact O-N 3Å
47	A	63.1	Low	61.3	Low	31 Å²	31	99 Å²	99	26%	0.256	50%	0.503	S	S	.	.	H	α-helix	trans	-59.1	-46.3	177.6	0	0	0	0	0	112	V29 M43 V44 H49 V50 V51	V29-A47 HydrophobicContact CG2-CB 3.87Å; M43-A47 PolarHBondContact O-N 3.47Å; M43-A47 VanDerWaalsContact O-N 3.07Å; V44-A47 PolarHBondContact O-N 2.93Å; A47-H49 VanDerWaalsContact C-N 3.33Å; A47-H49 PolarHBondContact O-N 3.31Å; A47-V50 PolarHBondContact O-N 3.41Å; A47-V51 WeakPolarHBondContact O-CG2 3.38Å; A47-V51 PolarHBondContact O-N 3.27Å
48	V	69.4	Low	62.5	Low	88 Å²	88	92.5 Å²	92.5	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-64	-38.3	177.4	172.9	0	0	0	0	111.6	V44 M46 R52	V44-V48 WeakPolarHBondContact O-CG2 3.28Å; V44-V48 PolarHBondContact O-N 3.28Å; M46-V48 PolarHBondContact O-N 3.17Å; V48-R52 VanDerWaalsContact O-CB 3.24Å; V48-R52 WeakPolarHBondContact O-CB 3.45Å; V48-R52 PolarHBondContact O-N 2.66Å
49	H	67.8	Low	63.5	Low	71 Å²	71	87.9 Å²	87.9	33%	0.329	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-43.6	177.9	-175.8	66.6	0	0	0	112.5	R41 G45 M46 A47 R52 N53	R41-H49 PolarHBondContact NH1-CD2 3.2Å; R41-H49 PolarHBondContact NH1-CE1 3.06Å; R41-H49 VanDerWaalsContact NH1-CE1 3.34Å; R41-H49 PolarHBondContact NH1-ND1 2.69Å; R41-H49 PolarHBondContact NH1-NE2 2.92Å; G45-H49 VanDerWaalsContact O-CB 3.29Å; G45-H49 WeakPolarHBondContact O-CB 3.46Å; G45-H49 PolarHBondContact O-N 2.92Å; G45-H49 VanDerWaalsContact O-N 3.14Å; M46-H49 PolarHBondContact O-N 2.94Å; A47-H49 VanDerWaalsContact C-N 3.33Å; A47-H49 PolarHBondContact O-N 3.31Å; H49-R52 PolarHBondContact O-N 3.33Å; H49-N53 PolarHBondContact CE1-ND2 3.34Å; H49-N53 PolarHBondContact NE2-ND2 3.45Å; H49-N53 WeakPolarHBondContact O-CB 3.41Å; H49-N53 PolarHBondContact O-N 2.85Å
50	V	67.2	Low	64.3	Low	6 Å²	6	85.9 Å²	85.9	4%	0.036	43%	0.431	C	S	.	.	H	α-helix	trans	-62.5	-45.2	177.2	172.2	0	0	0	0	110.6	M46 A47 R52 D54 G55 L59 M130	M46-V50 WeakPolarHBondContact O-CG2 3.43Å; M46-V50 PolarHBondContact O-N 3Å; A47-V50 PolarHBondContact O-N 3.41Å; V50-R52 VanDerWaalsContact C-N 3.33Å; V50-R52 PolarHBondContact O-N 2.96Å; V50-D54 PolarHBondContact O-N 2.94Å; V50-G55 PolarHBondContact O-N 2.91Å; V50-L59 HydrophobicContact CG1-CD2 3.97Å; V50-M130 HydrophobicContact CG1-CE 3.76Å
51	V	73.1	Confident	65.2	Low	57 Å²	57	80 Å²	80	35%	0.345	41%	0.409	S	S	.	.	H	α-helix	trans	-63.5	-39.6	177.8	172.6	0	0	0	0	111.8	A47 G55 V56 L59	A47-V51 WeakPolarHBondContact O-CG2 3.38Å; A47-V51 PolarHBondContact O-N 3.27Å; V51-G55 VanDerWaalsContact O-CA 3.25Å; V51-G55 WeakPolarHBondContact O-CA 3.39Å; V51-G55 PolarHBondContact O-N 3.17Å; V51-V56 HydrophobicContact CG1-CG2 4.08Å; V51-L59 HydrophobicContact CG2-CD1 3.65Å; V51-L59 HydrophobicContact CG2-CG 4.22Å
52	R	68.6	Low	65.9	Low	215 Å²	215	74.6 Å²	74.6	81%	0.811	39%	0.39	S	S	*	.	H	α-helix	trans	-76.8	-30.3	-177	-167	172.6	-179.5	172.3	0.2	113.5	V48 H49 V50	V48-R52 VanDerWaalsContact O-CB 3.24Å; V48-R52 WeakPolarHBondContact O-CB 3.45Å; V48-R52 PolarHBondContact O-N 2.66Å; H49-R52 PolarHBondContact O-N 3.33Å; V50-R52 VanDerWaalsContact C-N 3.33Å; V50-R52 PolarHBondContact O-N 2.96Å
53	N	68.8	Low	66.5	Low	103 Å²	103	65.6 Å²	65.6	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-95.2	-43.1	-177.5	-79.9	6.8	0	0	0	113.9	H49	H49-N53 PolarHBondContact CE1-ND2 3.34Å; H49-N53 PolarHBondContact NE2-ND2 3.45Å; H49-N53 WeakPolarHBondContact O-CB 3.41Å; H49-N53 PolarHBondContact O-N 2.85Å
54	D	64.6	Low	67.3	Low	64 Å²	64	62.9 Å²	62.9	34%	0.342	35%	0.349	S	S	.	.	H	α-helix	trans	-112.1	-8.1	-173.1	-63.4	-71.9	0	0	0	112.7	V50 A58 M130 R137	V50-D54 PolarHBondContact O-N 2.94Å; D54-A58 HydrophobicContact CB-CB 3.59Å; D54-A58 WeakPolarHBondContact O-CB 3.42Å; D54-M130 HydrophobicContact CB-CE 4.01Å; D54-R137 IonicContact OD1-CZ 3.36Å; D54-R137 IonicContact OD1-NH1 3.39Å; D54-R137 IonicContact OD1-NH2 3.36Å; D54-R137 PolarHBondContact OD1-NH2 3.12Å
55	G	71.4	Confident	67.5	Low	29 Å²	29	57.7 Å²	57.7	30%	0.299	32%	0.317	S	S	.	.			trans	88.3	171.2	177.4	0	0	0	0	0	114.7	V50 V51 L57 A58	V50-G55 PolarHBondContact O-N 2.91Å; V51-G55 VanDerWaalsContact O-CA 3.25Å; V51-G55 WeakPolarHBondContact O-CA 3.39Å; V51-G55 PolarHBondContact O-N 3.17Å; G55-L57 PolarHBondContact O-N 3.4Å; G55-A58 WeakPolarHBondContact O-CB 3.43Å; G55-A58 PolarHBondContact O-N 3.33Å
56	V	68.3	Low	67.7	Low	94 Å²	94	56.6 Å²	56.6	57%	0.57	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-68	-33.5	-175.5	-177.6	0	0	0	0	112.4	V51 A58 L59	V51-V56 HydrophobicContact CG1-CG2 4.08Å; V56-A58 PolarHBondContact O-N 3.05Å; V56-L59 WeakPolarHBondContact O-CB 3.47Å; V56-L59 PolarHBondContact O-N 3.05Å
57	L	64.6	Low	68.2	Low	153 Å²	153	58.2 Å²	58.2	80%	0.801	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-66.4	-23.3	177.7	-73.2	168.3	0	0	0	112.7	G55 L59 Y60	G55-L57 PolarHBondContact O-N 3.4Å; L57-L59 PolarHBondContact O-N 3.03Å; L57-Y60 PolarHBondContact O-N 3.18Å
58	A	64.4	Low	68.8	Low	15 Å²	15	58.5 Å²	58.5	12%	0.124	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-69.1	-25.6	178.7	0	0	0	0	0	112.2	L28 D54 G55 V56 Y60 S61 M130	L28-A58 WeakPolarHBondContact CD1-O 3.36Å; D54-A58 HydrophobicContact CB-CB 3.59Å; D54-A58 WeakPolarHBondContact O-CB 3.42Å; G55-A58 WeakPolarHBondContact O-CB 3.43Å; G55-A58 PolarHBondContact O-N 3.33Å; V56-A58 PolarHBondContact O-N 3.05Å; A58-Y60 PolarHBondContact O-N 2.88Å; A58-S61 WeakPolarHBondContact O-CB 3.47Å; A58-S61 PolarHBondContact O-N 3.36Å; A58-S61 VanDerWaalsContact O-N 3.12Å; A58-M130 HydrophobicContact CB-CE 3.32Å; A58-M130 HydrophobicContact CB-SD 3.99Å
59	L	65.2	Low	69	Low	22 Å²	22	57.8 Å²	57.8	12%	0.115	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.6	-18.3	171.1	-65.4	172.8	0	0	0	113.3	H24 P25 V50 V51 V56 L57	H24-L59 PolarHBondContact CD2-O 3.21Å; P25-L59 HydrophobicContact CB-CB 4.2Å; P25-L59 HydrophobicContact CB-CD1 4.41Å; P25-L59 HydrophobicContact CB-CD2 4.44Å; P25-L59 HydrophobicContact CG-CB 4.41Å; V50-L59 HydrophobicContact CG1-CD2 3.97Å; V51-L59 HydrophobicContact CG2-CD1 3.65Å; V51-L59 HydrophobicContact CG2-CG 4.22Å; V56-L59 WeakPolarHBondContact O-CB 3.47Å; V56-L59 PolarHBondContact O-N 3.05Å; L57-L59 PolarHBondContact O-N 3.03Å
60	Y	66.6	Low	69.1	Low	109 Å²	109	55.7 Å²	55.7	43%	0.427	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-100.9	3.8	176.8	-70.5	-81.1	0	0	0	113.5	L57 A58 G62 L63	L57-Y60 PolarHBondContact O-N 3.18Å; A58-Y60 PolarHBondContact O-N 2.88Å; Y60-G62 PolarHBondContact O-N 3.35Å; Y60-L63 HydrophobicContact CD1-CD2 4.12Å; Y60-L63 VanDerWaalsContact O-CB 3.3Å; Y60-L63 WeakPolarHBondContact O-CB 3.36Å; Y60-L63 PolarHBondContact O-N 3.48Å; Y60-L63 VanDerWaalsContact O-N 3.14Å
61	S	64.3	Low	69.6	Low	32 Å²	32	60.1 Å²	60.1	22%	0.224	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	136.7	176.3	98.7	0	0	0	0	110.2	H24 A58 L63 M130	H24-S61 PolarHBondContact NE2-O 2.87Å; A58-S61 WeakPolarHBondContact O-CB 3.47Å; A58-S61 PolarHBondContact O-N 3.36Å; A58-S61 VanDerWaalsContact O-N 3.12Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact O-N 3.31Å; S61-M130 PolarHBondContact OG-SD 3.27Å
62	G	66	Low	69.7	Low	3 Å²	3	58.9 Å²	58.9	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	1.2	-175.9	0	0	0	0	0	115.8	Y60 S64 A65 S66 N123	Y60-G62 PolarHBondContact O-N 3.35Å; G62-S64 VanDerWaalsContact C-N 3.29Å; G62-S64 PolarHBondContact O-N 3.46Å; G62-A65 WeakPolarHBondContact O-CB 3.49Å; G62-A65 PolarHBondContact O-N 3.11Å; G62-S66 PolarHBondContact O-N 2.91Å; G62-N123 PolarHBondContact O-OD1 2.93Å
63	L	72.6	Confident	69.7	Low	34 Å²	34	51.9 Å²	51.9	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-44	176.8	-179.3	69.2	0	0	0	111.6	H24 Y60 S61 A65 S66 L67	H24-L63 HydrophobicContact CB-CD1 4.02Å; H24-L63 PolarHBondContact NE2-N 2.92Å; Y60-L63 HydrophobicContact CD1-CD2 4.12Å; Y60-L63 VanDerWaalsContact O-CB 3.3Å; Y60-L63 WeakPolarHBondContact O-CB 3.36Å; Y60-L63 PolarHBondContact O-N 3.48Å; Y60-L63 VanDerWaalsContact O-N 3.14Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact O-N 3.31Å; L63-A65 PolarHBondContact O-N 3.39Å; L63-S66 WeakPolarHBondContact O-CB 3.31Å; L63-S66 PolarHBondContact O-N 3.42Å; L63-L67 HydrophobicContact CD1-CG 4.49Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 2.95Å
64	S	73.5	Confident	69.7	Low	41 Å²	41	48.4 Å²	48.4	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-59.2	-35.8	176.3	60.9	0	0	0	0	112.5	G62 C68 A143	G62-S64 VanDerWaalsContact C-N 3.29Å; G62-S64 PolarHBondContact O-N 3.46Å; S64-C68 VanDerWaalsContact O-CB 3.3Å; S64-C68 WeakPolarHBondContact O-CB 3.34Å; S64-C68 PolarHBondContact O-N 3.01Å; S64-A143 PolarHBondContact OG-N 2.93Å
65	A	69.5	Low	70	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-74.8	-37.2	177.9	0	0	0	0	0	111.6	G62 L63 C68 R69 V122 N123 M126 A143	G62-A65 WeakPolarHBondContact O-CB 3.49Å; G62-A65 PolarHBondContact O-N 3.11Å; L63-A65 PolarHBondContact O-N 3.39Å; A65-C68 PolarHBondContact O-N 3.29Å; A65-R69 VanDerWaalsContact O-CB 3.24Å; A65-R69 WeakPolarHBondContact O-CB 3.29Å; A65-R69 PolarHBondContact O-N 3.34Å; A65-V122 HydrophobicContact CB-CG1 4.31Å; A65-N123 HydrophobicContact CB-CB 3.79Å; A65-M126 HydrophobicContact CB-SD 3.77Å; A65-A143 HydrophobicContact CB-CB 3.94Å
66	S	69.7	Low	70.1	Confident	11 Å²	11	49.9 Å²	49.9	8%	0.077	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.4	172.7	-163.7	0	0	0	0	111.9	G62 L63 R69 Q70 N123	G62-S66 PolarHBondContact O-N 2.91Å; L63-S66 WeakPolarHBondContact O-CB 3.31Å; L63-S66 PolarHBondContact O-N 3.42Å; S66-R69 WeakPolarHBondContact O-CB 3.38Å; S66-R69 PolarHBondContact O-N 3.39Å; S66-Q70 WeakPolarHBondContact O-CB 3.3Å; S66-Q70 PolarHBondContact O-N 3.43Å; S66-N123 PolarHBondContact N-OD1 3.47Å
67	L	74.4	Confident	70	Confident	43 Å²	43	50.8 Å²	50.8	23%	0.225	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-46.2	175.5	-69.9	171.6	0	0	0	111.8	C17 L63 R69 Q70 I71	C17-L67 HydrophobicContact CB-CD2 3.59Å; L63-L67 HydrophobicContact CD1-CG 4.49Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 2.95Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.18Å; L67-Q70 WeakPolarHBondContact O-CB 3.25Å; L67-Q70 PolarHBondContact O-N 3.48Å; L67-Q70 VanDerWaalsContact O-N 3.11Å; L67-I71 WeakPolarHBondContact O-CG1 3.23Å; L67-I71 PolarHBondContact O-N 2.9Å
68	C	75.4	Confident	70.1	Confident	38 Å²	38	46.2 Å²	46.2	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-46.2	175.1	-179.4	0	0	0	0	110.9	S64 A65 Q70 I71 T72 S119 A143	S64-C68 VanDerWaalsContact O-CB 3.3Å; S64-C68 WeakPolarHBondContact O-CB 3.34Å; S64-C68 PolarHBondContact O-N 3.01Å; A65-C68 PolarHBondContact O-N 3.29Å; C68-Q70 PolarHBondContact O-N 3.32Å; C68-I71 PolarHBondContact O-N 3.14Å; C68-T72 WeakPolarHBondContact O-CB 3.26Å; C68-T72 PolarHBondContact O-N 3.04Å; C68-T72 PolarHBondContact O-OG1 3.23Å; C68-S119 PolarHBondContact SG-OG 3.3Å; C68-A143 HydrophobicContact CB-CB 4.04Å
69	R	73.8	Confident	70.6	Confident	72 Å²	72	47.9 Å²	47.9	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-45.3	173.9	-176.8	-162.4	76	80.8	2.3	112.2	A65 S66 L67 I71 T72 Y73 D120	A65-R69 VanDerWaalsContact O-CB 3.24Å; A65-R69 WeakPolarHBondContact O-CB 3.29Å; A65-R69 PolarHBondContact O-N 3.34Å; S66-R69 WeakPolarHBondContact O-CB 3.38Å; S66-R69 PolarHBondContact O-N 3.39Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.18Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 2.87Å; R69-T72 PolarHBondContact O-N 2.7Å; R69-Y73 VanDerWaalsContact O-CB 3.23Å; R69-Y73 WeakPolarHBondContact O-CB 3.45Å; R69-Y73 PolarHBondContact O-N 3.26Å; R69-D120 WeakPolarHBondContact CD-OD1 3.39Å; R69-D120 WeakPolarHBondContact CG-OD1 3.33Å
70	Q	69.5	Low	70.9	Confident	27 Å²	27	48.1 Å²	48.1	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-44	179.1	-157.2	99	12.7	0	0	111.4	S66 L67 C68 S74	S66-Q70 WeakPolarHBondContact O-CB 3.3Å; S66-Q70 PolarHBondContact O-N 3.43Å; L67-Q70 WeakPolarHBondContact O-CB 3.25Å; L67-Q70 PolarHBondContact O-N 3.48Å; L67-Q70 VanDerWaalsContact O-N 3.11Å; C68-Q70 PolarHBondContact O-N 3.32Å; Q70-S74 WeakPolarHBondContact O-CB 3.24Å; Q70-S74 PolarHBondContact O-N 3.13Å; Q70-S74 PolarHBondContact O-OG 3.03Å
71	I	77	Confident	70.8	Confident	100 Å²	100	48.1 Å²	48.1	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-53.7	179.3	-67.4	166.3	0	0	0	109.7	L67 C68 R69 Y73 S74 L75	L67-I71 WeakPolarHBondContact O-CG1 3.23Å; L67-I71 PolarHBondContact O-N 2.9Å; C68-I71 PolarHBondContact O-N 3.14Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 2.87Å; I71-Y73 VanDerWaalsContact C-N 3.33Å; I71-Y73 PolarHBondContact O-N 3.12Å; I71-S74 PolarHBondContact O-N 2.95Å; I71-L75 VanDerWaalsContact O-CB 3.26Å; I71-L75 WeakPolarHBondContact O-CB 3.47Å; I71-L75 PolarHBondContact O-N 2.93Å
72	T	75.8	Confident	71.1	Confident	31 Å²	31	51.3 Å²	51.3	19%	0.19	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-44.3	-178.7	-56.2	0	0	0	0	111.9	C68 R69 T76 V115	C68-T72 WeakPolarHBondContact O-CB 3.26Å; C68-T72 PolarHBondContact O-N 3.04Å; C68-T72 PolarHBondContact O-OG1 3.23Å; R69-T72 PolarHBondContact O-N 2.7Å; T72-T76 WeakPolarHBondContact O-CB 3.33Å; T72-T76 PolarHBondContact O-N 3.41Å; T72-T76 VanDerWaalsContact O-N 3.16Å; T72-T76 PolarHBondContact O-OG1 2.93Å; T72-V115 HydrophobicContact CG2-CG1 3.69Å; T72-V115 WeakPolarHBondContact CG2-O 3.05Å
73	Y	69.4	Low	71.4	Confident	67 Å²	67	54.6 Å²	54.6	26%	0.263	28%	0.278	S	S	.	.	H	α-helix	trans	-68.2	-44.6	179.2	-170.6	-99.6	0	0	0	112.1	R69 I71 R77	R69-Y73 VanDerWaalsContact O-CB 3.23Å; R69-Y73 WeakPolarHBondContact O-CB 3.45Å; R69-Y73 PolarHBondContact O-N 3.26Å; I71-Y73 VanDerWaalsContact C-N 3.33Å; I71-Y73 PolarHBondContact O-N 3.12Å; Y73-R77 VanDerWaalsContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CB 3.22Å; Y73-R77 PolarHBondContact O-N 3.24Å; Y73-R77 VanDerWaalsContact O-N 3.07Å
74	S	67.8	Low	71.1	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-47.6	-179.4	-58.3	0	0	0	0	111.2	Q70 I71 T76 R77 F78	Q70-S74 WeakPolarHBondContact O-CB 3.24Å; Q70-S74 PolarHBondContact O-N 3.13Å; Q70-S74 PolarHBondContact O-OG 3.03Å; I71-S74 PolarHBondContact O-N 2.95Å; S74-T76 PolarHBondContact O-N 3.49Å; S74-R77 PolarHBondContact O-N 3.22Å; S74-F78 WeakPolarHBondContact O-CD2 3.37Å; S74-F78 PolarHBondContact O-N 2.93Å
75	L	71.7	Confident	70.6	Confident	102 Å²	102	59.3 Å²	59.3	53%	0.534	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-46.3	-177.7	-152.8	79.5	0	0	0	111.3	W9 I71 F78 A79	W9-L75 HydrophobicContact CZ3-CD1 4.21Å; I71-L75 VanDerWaalsContact O-CB 3.26Å; I71-L75 WeakPolarHBondContact O-CB 3.47Å; I71-L75 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 2.98Å; L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 3.42Å
76	T	71.8	Confident	70.6	Confident	22 Å²	22	64.4 Å²	64.4	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-44.5	178.9	-52.1	0	0	0	0	111.4	T72 S74 F78 A79 I80 V115	T72-T76 WeakPolarHBondContact O-CB 3.33Å; T72-T76 PolarHBondContact O-N 3.41Å; T72-T76 VanDerWaalsContact O-N 3.16Å; T72-T76 PolarHBondContact O-OG1 2.93Å; S74-T76 PolarHBondContact O-N 3.49Å; T76-F78 VanDerWaalsContact C-N 3.32Å; T76-F78 PolarHBondContact O-N 3.16Å; T76-A79 PolarHBondContact O-N 2.72Å; T76-I80 HydrophobicContact CG2-CD1 3.72Å; T76-I80 HydrophobicContact CG2-CG1 4.48Å; T76-I80 WeakPolarHBondContact O-CB 3.49Å; T76-I80 VanDerWaalsContact O-CG1 3.26Å; T76-I80 WeakPolarHBondContact O-CG1 3.5Å; T76-I80 PolarHBondContact O-N 2.93Å; T76-V115 HydrophobicContact CG2-CB 4.09Å; T76-V115 HydrophobicContact CG2-CG2 3.96Å; T76-V115 WeakPolarHBondContact OG1-CG1 3.19Å
77	R	66.9	Low	70.4	Confident	113 Å²	113	70 Å²	70	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-61.1	-42.2	178.4	-170.7	-172.2	73.5	112.7	5.4	111.7	Y73 S74 Y81	Y73-R77 VanDerWaalsContact O-CB 3.27Å; Y73-R77 WeakPolarHBondContact O-CB 3.22Å; Y73-R77 PolarHBondContact O-N 3.24Å; Y73-R77 VanDerWaalsContact O-N 3.07Å; S74-R77 PolarHBondContact O-N 3.22Å; R77-Y81 VanDerWaalsContact O-CB 3.28Å; R77-Y81 WeakPolarHBondContact O-CB 3.35Å; R77-Y81 PolarHBondContact O-N 3.49Å
78	F	67.3	Low	69.6	Low	58 Å²	58	70.6 Å²	70.6	25%	0.254	35%	0.346	S	S	.	.	H	α-helix	trans	-69.9	-46.2	178.1	-79	-64.4	0	0	0	112.1	S74 L75 T76 I80 Y81 E82	S74-F78 WeakPolarHBondContact O-CD2 3.37Å; S74-F78 PolarHBondContact O-N 2.93Å; L75-F78 PolarHBondContact O-N 2.98Å; T76-F78 VanDerWaalsContact C-N 3.32Å; T76-F78 PolarHBondContact O-N 3.16Å; F78-I80 PolarHBondContact O-N 3.05Å; F78-Y81 PolarHBondContact O-N 3.02Å; F78-Y81 VanDerWaalsContact O-N 3.12Å; F78-E82 PolarHBondContact O-N 2.91Å
79	A	74.2	Confident	68.8	Low	49 Å²	49	71.6 Å²	71.6	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-56	-41.2	177.6	0	0	0	0	0	111.8	L75 T76 T83	L75-A79 WeakPolarHBondContact O-CB 3.41Å; L75-A79 PolarHBondContact O-N 3.42Å; T76-A79 PolarHBondContact O-N 2.72Å; A79-T83 WeakPolarHBondContact O-CB 3.48Å; A79-T83 VanDerWaalsContact O-CG2 3.22Å; A79-T83 WeakPolarHBondContact O-CG2 2.9Å; A79-T83 PolarHBondContact O-N 3.43Å; A79-T83 PolarHBondContact O-OG1 3.11Å
80	I	71.3	Confident	67.8	Low	28 Å²	28	73.3 Å²	73.3	14%	0.144	39%	0.386	C	S	.	.	H	α-helix	trans	-76.1	-35.1	-179.8	-63.1	175.2	0	0	0	111.6	T76 F78 T83 V84 F107 T111	T76-I80 HydrophobicContact CG2-CD1 3.72Å; T76-I80 HydrophobicContact CG2-CG1 4.48Å; T76-I80 WeakPolarHBondContact O-CB 3.49Å; T76-I80 VanDerWaalsContact O-CG1 3.26Å; T76-I80 WeakPolarHBondContact O-CG1 3.5Å; T76-I80 PolarHBondContact O-N 2.93Å; F78-I80 PolarHBondContact O-N 3.05Å; I80-T83 WeakPolarHBondContact CA-OG1 3.13Å; I80-T83 PolarHBondContact O-OG1 2.63Å; I80-V84 HydrophobicContact CG2-CG2 4.32Å; I80-V84 WeakPolarHBondContact O-CB 3.28Å; I80-V84 WeakPolarHBondContact O-CG2 3.41Å; I80-V84 PolarHBondContact O-N 2.91Å; I80-F107 HydrophobicContact CG2-CD1 4.32Å; I80-T111 HydrophobicContact CD1-CG2 4.08Å; I80-T111 WeakPolarHBondContact CD1-OG1 3.22Å
81	Y	65.8	Low	66.9	Low	108 Å²	108	76.2 Å²	76.2	42%	0.424	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-44.6	173.9	-173.2	-96	0	0	0	111.9	R77 F78 R85	R77-Y81 VanDerWaalsContact O-CB 3.28Å; R77-Y81 WeakPolarHBondContact O-CB 3.35Å; R77-Y81 PolarHBondContact O-N 3.49Å; F78-Y81 PolarHBondContact O-N 3.02Å; F78-Y81 VanDerWaalsContact O-N 3.12Å; Y81-R85 WeakPolarHBondContact O-CB 3.37Å; Y81-R85 PolarHBondContact O-N 3.22Å
82	E	69.1	Low	65.7	Low	100 Å²	100	75 Å²	75	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-52.5	179.9	-73.9	179.4	171.1	0	0	111.8	F78 V84 R85 D86	F78-E82 PolarHBondContact O-N 2.91Å; E82-V84 VanDerWaalsContact C-N 3.25Å; E82-V84 PolarHBondContact O-N 3.44Å; E82-R85 WeakPolarHBondContact O-CB 3.26Å; E82-R85 PolarHBondContact O-N 2.94Å; E82-R85 VanDerWaalsContact O-N 3.08Å; E82-D86 WeakPolarHBondContact O-CB 2.83Å; E82-D86 VanDerWaalsContact O-CG 3.26Å; E82-D86 PolarHBondContact O-N 2.99Å
83	T	73.3	Confident	64.3	Low	71 Å²	71	82.3 Å²	82.3	44%	0.436	45%	0.447	S	S	.	.	H	α-helix	trans	-54.6	-42	179.4	46.7	0	0	0	0	112.7	A79 I80 M87	A79-T83 WeakPolarHBondContact O-CB 3.48Å; A79-T83 VanDerWaalsContact O-CG2 3.22Å; A79-T83 WeakPolarHBondContact O-CG2 2.9Å; A79-T83 PolarHBondContact O-N 3.43Å; A79-T83 PolarHBondContact O-OG1 3.11Å; I80-T83 WeakPolarHBondContact CA-OG1 3.13Å; I80-T83 PolarHBondContact O-OG1 2.63Å; T83-M87 WeakPolarHBondContact O-CB 3.35Å; T83-M87 WeakPolarHBondContact O-CE 3.23Å; T83-M87 PolarHBondContact O-N 3.31Å
84	V	66.2	Low	63.7	Low	30 Å²	30	82.4 Å²	82.4	18%	0.182	47%	0.468	C	S	.	.	H	α-helix	trans	-80.5	-31	-178.9	-177.3	0	0	0	0	112	I80 E82 D86 M88 L104	I80-V84 HydrophobicContact CG2-CG2 4.32Å; I80-V84 WeakPolarHBondContact O-CB 3.28Å; I80-V84 WeakPolarHBondContact O-CG2 3.41Å; I80-V84 PolarHBondContact O-N 2.91Å; E82-V84 VanDerWaalsContact C-N 3.25Å; E82-V84 PolarHBondContact O-N 3.44Å; V84-D86 VanDerWaalsContact C-N 3.31Å; V84-M88 HydrophobicContact CG1-CE 3.29Å; V84-M88 WeakPolarHBondContact O-CB 3.34Å; V84-M88 PolarHBondContact O-N 2.96Å; V84-L104 HydrophobicContact CB-CD1 3.38Å; V84-L104 HydrophobicContact CB-CD2 4.11Å; V84-L104 HydrophobicContact CB-CG 4.36Å; V84-L104 HydrophobicContact CG1-CD1 3.28Å; V84-L104 HydrophobicContact CG1-CD2 3.79Å; V84-L104 HydrophobicContact CG1-CG 4.06Å; V84-L104 HydrophobicContact CG2-CD1 3.55Å
85	R	63.5	Low	63.4	Low	145 Å²	145	87 Å²	87	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-40.1	170	-173.5	-179.3	-157.8	-178.3	4.3	111.4	Y81 E82 M88 G89	Y81-R85 WeakPolarHBondContact O-CB 3.37Å; Y81-R85 PolarHBondContact O-N 3.22Å; E82-R85 WeakPolarHBondContact O-CB 3.26Å; E82-R85 PolarHBondContact O-N 2.94Å; E82-R85 VanDerWaalsContact O-N 3.08Å; R85-M88 PolarHBondContact O-N 2.87Å; R85-G89 WeakPolarHBondContact O-CA 3.19Å; R85-G89 PolarHBondContact O-N 2.64Å
86	D	69.3	Low	62.9	Low	107 Å²	107	84.2 Å²	84.2	57%	0.572	48%	0.482	S	S	*	.	H	α-helix	trans	-72.6	-40.7	-179.5	-67.1	-17	0	0	0	111.7	E82 V84 M88 G89 S90	E82-D86 WeakPolarHBondContact O-CB 2.83Å; E82-D86 VanDerWaalsContact O-CG 3.26Å; E82-D86 PolarHBondContact O-N 2.99Å; V84-D86 VanDerWaalsContact C-N 3.31Å; D86-M88 VanDerWaalsContact C-N 3.32Å; D86-M88 PolarHBondContact O-N 3.3Å; D86-G89 PolarHBondContact O-N 2.86Å; D86-S90 PolarHBondContact O-N 3.44Å; D86-S90 PolarHBondContact O-OG 2.92Å; D86-S90 VanDerWaalsContact O-OG 3.07Å
87	M	66	Low	62.8	Low	129 Å²	129	86.7 Å²	86.7	64%	0.635	50%	0.498	S	S	*	.	H	α-helix	trans	-58.8	-41.3	170.7	-98.9	179.6	-81.3	0	0	112.3	T83	T83-M87 WeakPolarHBondContact O-CB 3.35Å; T83-M87 WeakPolarHBondContact O-CE 3.23Å; T83-M87 PolarHBondContact O-N 3.31Å
88	M	57.6	Low	63	Low	56 Å²	56	85.7 Å²	85.7	28%	0.276	50%	0.497	S	S	.	.	H	α-helix	trans	-82.5	-30.1	179.4	-83.7	-169.2	-85.5	0	0	113.8	V84 R85 D86 S90 T91 M96 L104	V84-M88 HydrophobicContact CG1-CE 3.29Å; V84-M88 WeakPolarHBondContact O-CB 3.34Å; V84-M88 PolarHBondContact O-N 2.96Å; R85-M88 PolarHBondContact O-N 2.87Å; D86-M88 VanDerWaalsContact C-N 3.32Å; D86-M88 PolarHBondContact O-N 3.3Å; M88-S90 PolarHBondContact O-N 3.37Å; M88-T91 VanDerWaalsContact O-CB 3.32Å; M88-T91 WeakPolarHBondContact O-CB 3.41Å; M88-T91 PolarHBondContact O-N 3.26Å; M88-M96 HydrophobicContact CE-SD 3.64Å; M88-M96 HydrophobicContact SD-CG 4.32Å; M88-M96 HydrophobicContact SD-SD 3.87Å; M88-L104 HydrophobicContact CE-CD2 3.93Å
89	G	56.7	Low	63.2	Low	58 Å²	58	90.8 Å²	90.8	60%	0.598	52%	0.516	S	S	*	.	H	α-helix	trans	-62.4	-29.4	174.9	0	0	0	0	0	112.5	R85 D86 T91	R85-G89 WeakPolarHBondContact O-CA 3.19Å; R85-G89 PolarHBondContact O-N 2.64Å; D86-G89 PolarHBondContact O-N 2.86Å; G89-T91 PolarHBondContact O-N 3.21Å
90	S	53	Low	63.2	Low	109 Å²	109	92.7 Å²	92.7	76%	0.762	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.9	171.8	-59	0	0	0	0	113.7	D86 M88	D86-S90 PolarHBondContact O-N 3.44Å; D86-S90 PolarHBondContact O-OG 2.92Å; D86-S90 VanDerWaalsContact O-OG 3.07Å; M88-S90 PolarHBondContact O-N 3.37Å
91	T	52.3	Low	63.3	Low	88 Å²	88	95 Å²	95	54%	0.54	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.7	-175.2	-49.2	0	0	0	0	114.2	M88 G89 K93	M88-T91 VanDerWaalsContact O-CB 3.32Å; M88-T91 WeakPolarHBondContact O-CB 3.41Å; M88-T91 PolarHBondContact O-N 3.26Å; G89-T91 PolarHBondContact O-N 3.21Å; T91-K93 PolarHBondContact O-N 3.45Å
92	G	50.2	Low	63.6	Low	74 Å²	74	90.9 Å²	90.9	76%	0.763	51%	0.511	S	S	*	.			trans	59.6	6.9	167.2	0	0	0	0	0	117.9
93	K	47.6	Very low	64.1	Low	185 Å²	185	90.2 Å²	90.2	80%	0.804	51%	0.51	S	S	*	.			trans	-108.1	84.1	-173.9	-75.7	-177.4	179	178.9	0	112.4	T91	T91-K93 PolarHBondContact O-N 3.45Å
94	G	57.3	Low	64.1	Low	69 Å²	69	87.7 Å²	87.7	71%	0.711	49%	0.494	S	S	*	.	S	Bend	trans	52.5	-173.8	158.8	0	0	0	0	0	118.1
95	P	59.7	Low	64.5	Low	126 Å²	126	86.8 Å²	86.8	82%	0.818	49%	0.491	S	S	*	.	S	Bend	trans	-68.8	131.7	173.6	25.3	-29.9	0	0	0	110.9
96	M	62.6	Low	65.1	Low	43 Å²	43	81 Å²	81	21%	0.212	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-51.8	128.1	-175.7	-74.1	-174.4	-68.4	0	0	112.7	M88 K101	M88-M96 HydrophobicContact CE-SD 3.64Å; M88-M96 HydrophobicContact SD-CG 4.32Å; M88-M96 HydrophobicContact SD-SD 3.87Å; M96-K101 HydrophobicContact CB-CD 4.4Å; M96-K101 HydrophobicContact CB-CG 3.84Å; M96-K101 HydrophobicContact CE-CG 3.9Å; M96-K101 WeakPolarHBondContact O-CE 3.03Å; M96-K101 PolarHBondContact O-NZ 3Å; M96-K101 VanDerWaalsContact O-NZ 3.14Å; M96-K101 HydrophobicContact SD-CG 4.35Å
97	P	70.1	Confident	65.6	Low	75 Å²	75	82 Å²	82	49%	0.487	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.3	171.3	22	-30.6	0	0	0	111	Y99 Q100 K101	P97-Y99 VanDerWaalsContact C-N 3.29Å; P97-Y99 PolarHBondContact O-N 3.32Å; P97-Q100 VanDerWaalsContact CD-OE1 3.28Å; P97-Q100 HydrophobicContact CG-CB 4.3Å; P97-Q100 HydrophobicContact CG-CG 4.03Å; P97-Q100 PolarHBondContact O-N 3.04Å; P97-K101 PolarHBondContact O-N 3.5Å
98	F	69.5	Low	66.1	Low	91 Å²	91	76.2 Å²	76.2	40%	0.399	45%	0.447	S	S	.	.	H	α-helix	trans	-53.5	-42.8	-172.4	174.1	-98.6	0	0	0	113.1	Q100 K101 V102 A179 D182	F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.44Å; F98-K101 WeakPolarHBondContact O-CB 3.45Å; F98-K101 PolarHBondContact O-N 2.91Å; F98-K101 VanDerWaalsContact O-N 3.14Å; F98-V102 HydrophobicContact CD1-CG2 4.06Å; F98-V102 HydrophobicContact CD2-CG2 4.32Å; F98-V102 HydrophobicContact CE1-CG2 3.6Å; F98-V102 HydrophobicContact CE2-CG2 3.87Å; F98-V102 HydrophobicContact CG-CG2 4.4Å; F98-V102 HydrophobicContact CZ-CG2 3.48Å; F98-V102 VanDerWaalsContact CZ-CG2 3.48Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.47Å; F98-A179 HydrophobicContact CZ-CB 3.94Å; F98-D182 HydrophobicContact CD2-CB 4.02Å; F98-D182 HydrophobicContact CE2-CB 3.76Å
99	Y	72.4	Confident	66.9	Low	165 Å²	165	73.6 Å²	73.6	65%	0.647	44%	0.435	S	S	*	.	H	α-helix	trans	-59.9	-39.3	178.9	-178.6	-106.4	0	0	0	113.3	P97 V102 L103	P97-Y99 VanDerWaalsContact C-N 3.29Å; P97-Y99 PolarHBondContact O-N 3.32Å; Y99-V102 PolarHBondContact O-N 3.35Å; Y99-L103 HydrophobicContact CD1-CD1 3.81Å; Y99-L103 HydrophobicContact CD1-CG 4.39Å; Y99-L103 HydrophobicContact CE1-CD1 3.21Å; Y99-L103 HydrophobicContact CE1-CG 3.98Å; Y99-L103 HydrophobicContact CE2-CD1 4.34Å; Y99-L103 HydrophobicContact CE2-CG 4.26Å; Y99-L103 WeakPolarHBondContact O-CG 3.49Å; Y99-L103 PolarHBondContact O-N 3.45Å
100	Q	73.8	Confident	68.1	Low	90 Å²	90	75.7 Å²	75.7	42%	0.421	43%	0.428	S	S	.	.	H	α-helix	trans	-68.3	-37.6	176.4	-74.3	-179.1	-17.6	0	0	111.9	P97 F98 V102 L104	P97-Q100 VanDerWaalsContact CD-OE1 3.28Å; P97-Q100 HydrophobicContact CG-CB 4.3Å; P97-Q100 HydrophobicContact CG-CG 4.03Å; P97-Q100 PolarHBondContact O-N 3.04Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.44Å; Q100-V102 VanDerWaalsContact C-N 3.35Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 3.42Å
101	K	72.6	Confident	69.4	Low	76 Å²	76	71.9 Å²	71.9	33%	0.33	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-42.6	173.3	-67.2	175.7	-179.4	156.6	0	111.6	M96 P97 F98 G105 L178	M96-K101 HydrophobicContact CB-CD 4.4Å; M96-K101 HydrophobicContact CB-CG 3.84Å; M96-K101 HydrophobicContact CE-CG 3.9Å; M96-K101 WeakPolarHBondContact O-CE 3.03Å; M96-K101 PolarHBondContact O-NZ 3Å; M96-K101 VanDerWaalsContact O-NZ 3.14Å; M96-K101 HydrophobicContact SD-CG 4.35Å; P97-K101 PolarHBondContact O-N 3.5Å; F98-K101 WeakPolarHBondContact O-CB 3.45Å; F98-K101 PolarHBondContact O-N 2.91Å; F98-K101 VanDerWaalsContact O-N 3.14Å; K101-G105 PolarHBondContact O-N 2.98Å; K101-L178 WeakPolarHBondContact O-CD1 3.48Å
102	V	74	Confident	70.5	Confident	21 Å²	21	67.7 Å²	67.7	13%	0.127	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-46	179	172.5	0	0	0	0	111.1	F98 Y99 Q100 G105 A106 V175 L178	F98-V102 HydrophobicContact CD1-CG2 4.06Å; F98-V102 HydrophobicContact CD2-CG2 4.32Å; F98-V102 HydrophobicContact CE1-CG2 3.6Å; F98-V102 HydrophobicContact CE2-CG2 3.87Å; F98-V102 HydrophobicContact CG-CG2 4.4Å; F98-V102 HydrophobicContact CZ-CG2 3.48Å; F98-V102 VanDerWaalsContact CZ-CG2 3.48Å; F98-V102 WeakPolarHBondContact O-CG2 3.47Å; F98-V102 PolarHBondContact O-N 3.47Å; Y99-V102 PolarHBondContact O-N 3.35Å; Q100-V102 VanDerWaalsContact C-N 3.35Å; V102-G105 PolarHBondContact O-N 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 2.98Å; V102-V175 HydrophobicContact CG1-CB 4.29Å; V102-V175 HydrophobicContact CG1-CG1 3.84Å; V102-V175 HydrophobicContact CG1-CG2 3.9Å; V102-L178 HydrophobicContact CG2-CB 4.37Å
103	L	77.6	Confident	71.7	Confident	86 Å²	86	64.4 Å²	64.4	45%	0.45	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176	-78.7	179.2	0	0	0	112.2	Y99 G105 A106 F107	Y99-L103 HydrophobicContact CD1-CD1 3.81Å; Y99-L103 HydrophobicContact CD1-CG 4.39Å; Y99-L103 HydrophobicContact CE1-CD1 3.21Å; Y99-L103 HydrophobicContact CE1-CG 3.98Å; Y99-L103 HydrophobicContact CE2-CD1 4.34Å; Y99-L103 HydrophobicContact CE2-CG 4.26Å; Y99-L103 WeakPolarHBondContact O-CG 3.49Å; Y99-L103 PolarHBondContact O-N 3.45Å; L103-G105 VanDerWaalsContact C-N 3.35Å; L103-A106 WeakPolarHBondContact O-CB 3.33Å; L103-A106 PolarHBondContact O-N 2.88Å; L103-F107 WeakPolarHBondContact O-CB 3.31Å; L103-F107 PolarHBondContact O-N 3.43Å
104	L	74.9	Confident	73.3	Confident	18 Å²	18	60.1 Å²	60.1	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-47.1	174.9	173.2	53.4	0	0	0	111.3	V84 M88 Q100 A106 F107 G108	V84-L104 HydrophobicContact CB-CD1 3.38Å; V84-L104 HydrophobicContact CB-CD2 4.11Å; V84-L104 HydrophobicContact CB-CG 4.36Å; V84-L104 HydrophobicContact CG1-CD1 3.28Å; V84-L104 HydrophobicContact CG1-CD2 3.79Å; V84-L104 HydrophobicContact CG1-CG 4.06Å; V84-L104 HydrophobicContact CG2-CD1 3.55Å; M88-L104 HydrophobicContact CE-CD2 3.93Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 3.42Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.99Å; L104-F107 PolarHBondContact O-N 2.68Å; L104-G108 PolarHBondContact O-N 2.88Å
105	G	73.6	Confident	74.4	Confident	12 Å²	12	60 Å²	60	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-43.9	175.8	0	0	0	0	0	112.1	K101 V102 L103 F107 G108 G109 T174	K101-G105 PolarHBondContact O-N 2.98Å; V102-G105 PolarHBondContact O-N 3.31Å; L103-G105 VanDerWaalsContact C-N 3.35Å; G105-F107 PolarHBondContact O-N 2.99Å; G105-G108 PolarHBondContact O-N 3.12Å; G105-G109 PolarHBondContact O-N 3.05Å; G105-T174 VanDerWaalsContact C-CG2 3.41Å; G105-T174 VanDerWaalsContact O-CB 3.28Å; G105-T174 WeakPolarHBondContact O-CB 3.31Å; G105-T174 WeakPolarHBondContact O-CG2 3.39Å
106	A	76.1	Confident	75.2	Confident	23 Å²	23	54.1 Å²	54.1	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176.5	0	0	0	0	0	111.5	V102 L103 L104 G109 F110 A171 V175	V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 2.98Å; L103-A106 WeakPolarHBondContact O-CB 3.33Å; L103-A106 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 2.99Å; A106-G109 PolarHBondContact O-N 3.45Å; A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.29Å; A106-A171 HydrophobicContact CB-CB 4.48Å; A106-A171 WeakPolarHBondContact O-CB 3.5Å; A106-V175 HydrophobicContact CB-CG2 3.64Å
107	F	81.1	Confident	76	Confident	127 Å²	127	52.2 Å²	52.2	56%	0.557	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-44.7	178.8	-169.3	-101.1	0	0	0	111.9	I80 L103 L104 G105 G109 F110 T111	I80-F107 HydrophobicContact CG2-CD1 4.32Å; L103-F107 WeakPolarHBondContact O-CB 3.31Å; L103-F107 PolarHBondContact O-N 3.43Å; L104-F107 PolarHBondContact O-N 2.68Å; G105-F107 PolarHBondContact O-N 2.99Å; F107-G109 VanDerWaalsContact C-N 3.34Å; F107-G109 PolarHBondContact O-N 3.24Å; F107-F110 PolarHBondContact O-N 2.69Å; F107-T111 HydrophobicContact CD1-CG2 4.24Å; F107-T111 HydrophobicContact CE1-CG2 3.9Å; F107-T111 HydrophobicContact CE2-CG2 4.48Å; F107-T111 HydrophobicContact CZ-CG2 4.03Å; F107-T111 WeakPolarHBondContact O-CB 3.44Å; F107-T111 WeakPolarHBondContact O-CG2 3.32Å; F107-T111 PolarHBondContact O-N 3.45Å; F107-T111 PolarHBondContact O-OG1 2.98Å
108	G	75	Confident	76.3	Confident	8 Å²	8	49.4 Å²	49.4	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-35.6	174.7	0	0	0	0	0	113.3	L104 G105 T111 G112	L104-G108 PolarHBondContact O-N 2.88Å; G105-G108 PolarHBondContact O-N 3.12Å; G108-T111 WeakPolarHBondContact CA-OG1 3.05Å; G108-T111 PolarHBondContact O-OG1 2.89Å; G108-T111 VanDerWaalsContact O-OG1 3.11Å; G108-G112 WeakPolarHBondContact O-CA 3.4Å; G108-G112 PolarHBondContact O-N 3.38Å
109	G	75.1	Confident	76.7	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-40.3	173.3	0	0	0	0	0	112.6	G105 A106 F107 G113 G170	G105-G109 PolarHBondContact O-N 3.05Å; A106-G109 PolarHBondContact O-N 3.45Å; F107-G109 VanDerWaalsContact C-N 3.34Å; F107-G109 PolarHBondContact O-N 3.24Å; G109-G113 PolarHBondContact O-N 2.88Å; G109-G170 VanDerWaalsContact C-C 3.49Å; G109-G170 VanDerWaalsContact CA-C 3.48Å; G109-G170 WeakPolarHBondContact CA-O 3.46Å; G109-G170 CarbonylContact O-C 3.55Å; G109-G170 WeakPolarHBondContact O-CA 3.25Å
110	F	80.8	Confident	76.7	Confident	102 Å²	102	39.9 Å²	39.9	45%	0.447	21%	0.207	S	C	.	.	H	α-helix	trans	-64.2	-55.1	178.2	-175.4	-89.8	0	0	0	111.6	A106 F107 G113 F114 S167 A171	A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.29Å; F107-F110 PolarHBondContact O-N 2.69Å; F110-G113 PolarHBondContact O-N 3.21Å; F110-F114 PolarHBondContact O-N 3.26Å; F110-S167 WeakPolarHBondContact CA-O 3.37Å; F110-S167 VanDerWaalsContact CD2-CB 3.48Å; F110-S167 VanDerWaalsContact O-CB 3.25Å; F110-S167 WeakPolarHBondContact O-CB 3.22Å; F110-S167 PolarHBondContact O-OG 3.45Å; F110-A171 HydrophobicContact CB-CB 4.26Å
111	T	80.8	Confident	76.8	Confident	29 Å²	29	37 Å²	37	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.6	47.1	0	0	0	0	112.3	I80 F107 G108 G113 F114 V115	I80-T111 HydrophobicContact CD1-CG2 4.08Å; I80-T111 WeakPolarHBondContact CD1-OG1 3.22Å; F107-T111 HydrophobicContact CD1-CG2 4.24Å; F107-T111 HydrophobicContact CE1-CG2 3.9Å; F107-T111 HydrophobicContact CE2-CG2 4.48Å; F107-T111 HydrophobicContact CZ-CG2 4.03Å; F107-T111 WeakPolarHBondContact O-CB 3.44Å; F107-T111 WeakPolarHBondContact O-CG2 3.32Å; F107-T111 PolarHBondContact O-N 3.45Å; F107-T111 PolarHBondContact O-OG1 2.98Å; G108-T111 WeakPolarHBondContact CA-OG1 3.05Å; G108-T111 PolarHBondContact O-OG1 2.89Å; G108-T111 VanDerWaalsContact O-OG1 3.11Å; T111-G113 VanDerWaalsContact C-N 3.32Å; T111-G113 PolarHBondContact O-N 3.43Å; T111-F114 WeakPolarHBondContact O-CB 3.41Å; T111-F114 PolarHBondContact O-N 3.22Å; T111-V115 WeakPolarHBondContact O-CG2 3.47Å; T111-V115 PolarHBondContact O-N 2.93Å
112	G	75.8	Confident	77	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-39.8	173.1	0	0	0	0	0	112.9	G108 G116	G108-G112 WeakPolarHBondContact O-CA 3.4Å; G108-G112 PolarHBondContact O-N 3.38Å; G112-G116 PolarHBondContact O-N 2.96Å
113	G	75.4	Confident	77	Confident	4 Å²	4	33.1 Å²	33.1	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-39.7	172.7	0	0	0	0	0	112.7	G109 F110 T111 G116 T117	G109-G113 PolarHBondContact O-N 2.88Å; F110-G113 PolarHBondContact O-N 3.21Å; T111-G113 VanDerWaalsContact C-N 3.32Å; T111-G113 PolarHBondContact O-N 3.43Å; G113-G116 PolarHBondContact O-N 3.32Å; G113-T117 PolarHBondContact O-N 3.45Å; G113-T117 PolarHBondContact O-OG1 3.43Å
114	F	81.1	Confident	76.6	Confident	95 Å²	95	32.1 Å²	32.1	42%	0.417	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-50.5	177.6	-172.6	-98.6	0	0	0	111.8	F110 T111 G116 T117 F160 A163 S167	F110-F114 PolarHBondContact O-N 3.26Å; T111-F114 WeakPolarHBondContact O-CB 3.41Å; T111-F114 PolarHBondContact O-N 3.22Å; F114-G116 VanDerWaalsContact C-N 3.32Å; F114-G116 PolarHBondContact O-N 3.07Å; F114-T117 WeakPolarHBondContact O-CB 3.25Å; F114-T117 PolarHBondContact O-N 3.06Å; F114-T117 PolarHBondContact O-OG1 3.43Å; F114-F160 HydrophobicContact CD1-CE1 4.24Å; F114-F160 HydrophobicContact CD2-CD1 4.49Å; F114-F160 HydrophobicContact CE1-CD1 4.31Å; F114-F160 AromaticContact CE1-CE1 3.75Å; F114-F160 HydrophobicContact CE1-CE1 3.75Å; F114-F160 HydrophobicContact CE1-CZ 4.42Å; F114-F160 AromaticContact CE2-CD1 3.96Å; F114-F160 HydrophobicContact CE2-CD1 3.96Å; F114-F160 HydrophobicContact CE2-CE1 4.23Å; F114-F160 AromaticContact CZ-CD1 3.86Å; F114-F160 HydrophobicContact CZ-CD1 3.86Å; F114-F160 AromaticContact CZ-CE1 3.74Å; F114-F160 HydrophobicContact CZ-CE1 3.74Å; F114-F160 HydrophobicContact CZ-CZ 4.49Å; F114-A163 HydrophobicContact CD2-CB 4Å; F114-A163 HydrophobicContact CE2-CB 4.16Å; F114-S167 WeakPolarHBondContact CA-OG 3.34Å; F114-S167 PolarHBondContact N-OG 3.39Å
115	V	81.1	Confident	76.5	Confident	67 Å²	67	32.6 Å²	32.6	41%	0.406	17%	0.174	S	C	.	.	H	α-helix	trans	-68.6	-32.1	179.4	-178.1	0	0	0	0	111.5	T72 T76 T111 T117 P118	T72-V115 HydrophobicContact CG2-CG1 3.69Å; T72-V115 WeakPolarHBondContact CG2-O 3.05Å; T76-V115 HydrophobicContact CG2-CB 4.09Å; T76-V115 HydrophobicContact CG2-CG2 3.96Å; T76-V115 WeakPolarHBondContact OG1-CG1 3.19Å; T111-V115 WeakPolarHBondContact O-CG2 3.47Å; T111-V115 PolarHBondContact O-N 2.93Å; V115-T117 VanDerWaalsContact C-N 3.34Å; V115-P118 WeakPolarHBondContact O-CD 3.4Å
116	G	75.9	Confident	76.3	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-76.8	-14.3	176.4	0	0	0	0	0	115.1	G112 G113 F114 S119 D120	G112-G116 PolarHBondContact O-N 2.96Å; G113-G116 PolarHBondContact O-N 3.32Å; F114-G116 VanDerWaalsContact C-N 3.32Å; F114-G116 PolarHBondContact O-N 3.07Å; G116-S119 PolarHBondContact O-N 3.33Å; G116-D120 PolarHBondContact O-N 3.26Å
117	T	79.3	Confident	75.7	Confident	4 Å²	4	32.3 Å²	32.3	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-44.7	-174.6	-62.1	0	0	0	0	113.8	G113 F114 V115 S119 D120 L121 A163 A166	G113-T117 PolarHBondContact O-N 3.45Å; G113-T117 PolarHBondContact O-OG1 3.43Å; F114-T117 WeakPolarHBondContact O-CB 3.25Å; F114-T117 PolarHBondContact O-N 3.06Å; F114-T117 PolarHBondContact O-OG1 3.43Å; V115-T117 VanDerWaalsContact C-N 3.34Å; T117-S119 VanDerWaalsContact C-N 3.35Å; T117-S119 PolarHBondContact O-N 3.42Å; T117-D120 WeakPolarHBondContact O-CB 3.43Å; T117-D120 PolarHBondContact O-N 3.08Å; T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 2.97Å; T117-A163 HydrophobicContact CG2-CB 3.89Å; T117-A163 WeakPolarHBondContact OG1-CA 3.5Å; T117-A166 WeakPolarHBondContact OG1-CB 3.3Å
118	P	77.1	Confident	74.9	Confident	15 Å²	15	28.7 Å²	28.7	10%	0.097	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-43.2	178.2	-26.3	37.8	0	0	0	112.8	V115 L121 V122 L147 L159 F160	V115-P118 WeakPolarHBondContact O-CD 3.4Å; P118-L121 PolarHBondContact O-N 2.75Å; P118-V122 WeakPolarHBondContact O-CG2 3.11Å; P118-V122 PolarHBondContact O-N 3.19Å; P118-L147 HydrophobicContact CB-CD1 3.6Å; P118-L159 HydrophobicContact CB-CD1 4.01Å; P118-L159 HydrophobicContact CB-CD2 3.92Å; P118-L159 HydrophobicContact CB-CG 3.7Å; P118-L159 HydrophobicContact CG-CD2 4.08Å; P118-L159 HydrophobicContact CG-CG 4.03Å; P118-F160 HydrophobicContact CG-CE1 4.1Å; P118-F160 HydrophobicContact CG-CZ 4.11Å
119	S	77.5	Confident	74.4	Confident	8 Å²	8	28.9 Å²	28.9	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-39	177.4	-57.4	0	0	0	0	111.8	C68 G116 T117 V122 N123	C68-S119 PolarHBondContact SG-OG 3.3Å; G116-S119 PolarHBondContact O-N 3.33Å; T117-S119 VanDerWaalsContact C-N 3.35Å; T117-S119 PolarHBondContact O-N 3.42Å; S119-V122 PolarHBondContact O-N 3.24Å; S119-N123 VanDerWaalsContact O-CB 3.28Å; S119-N123 WeakPolarHBondContact O-CB 3.24Å; S119-N123 PolarHBondContact O-N 2.84Å
120	D	72.8	Confident	73.6	Confident	48 Å²	48	30 Å²	30	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-59.7	-45.9	173.9	-85.7	-12	0	0	0	111.5	R69 G116 T117 N123 V124	R69-D120 WeakPolarHBondContact CD-OD1 3.39Å; R69-D120 WeakPolarHBondContact CG-OD1 3.33Å; G116-D120 PolarHBondContact O-N 3.26Å; T117-D120 WeakPolarHBondContact O-CB 3.43Å; T117-D120 PolarHBondContact O-N 3.08Å; D120-N123 PolarHBondContact O-N 2.99Å; D120-V124 WeakPolarHBondContact O-CG2 3.48Å; D120-V124 PolarHBondContact O-N 3.07Å
121	L	75.6	Confident	72.3	Confident	30 Å²	30	28.8 Å²	28.8	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-48.3	179.8	-178	72.9	0	0	0	111.4	T117 P118 N123 V124 R125 V150 R158	T117-L121 WeakPolarHBondContact O-CB 3.48Å; T117-L121 PolarHBondContact O-N 2.97Å; P118-L121 PolarHBondContact O-N 2.75Å; L121-N123 VanDerWaalsContact C-N 3.34Å; L121-V124 PolarHBondContact O-N 2.87Å; L121-R125 WeakPolarHBondContact O-CB 3.38Å; L121-R125 VanDerWaalsContact O-CG 3.29Å; L121-R125 WeakPolarHBondContact O-CG 3.31Å; L121-R125 PolarHBondContact O-N 2.99Å; L121-V150 HydrophobicContact CD2-CG1 4.12Å; L121-R158 VanDerWaalsContact CD2-O 3.26Å; L121-R158 WeakPolarHBondContact CD2-O 3.49Å
122	V	76.3	Confident	71.1	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-41.4	178.3	176	0	0	0	0	110.5	A65 P118 S119 V124 R125 M126 L147	A65-V122 HydrophobicContact CB-CG1 4.31Å; P118-V122 WeakPolarHBondContact O-CG2 3.11Å; P118-V122 PolarHBondContact O-N 3.19Å; S119-V122 PolarHBondContact O-N 3.24Å; V122-V124 PolarHBondContact O-N 2.85Å; V122-R125 PolarHBondContact O-N 3.12Å; V122-M126 HydrophobicContact CG1-CG 4.16Å; V122-M126 HydrophobicContact CG1-SD 3.86Å; V122-M126 WeakPolarHBondContact O-CB 3.48Å; V122-M126 WeakPolarHBondContact O-CG 3.35Å; V122-M126 PolarHBondContact O-N 3.01Å; V122-L147 HydrophobicContact CG2-CB 4.38Å; V122-L147 HydrophobicContact CG2-CD1 3.85Å
123	N	74.6	Confident	69.8	Low	13 Å²	13	32.8 Å²	32.8	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-43.8	178.3	-170.7	36.6	0	0	0	112.3	G62 A65 S66 S119 D120 L121 Q127	G62-N123 PolarHBondContact O-OD1 2.93Å; A65-N123 HydrophobicContact CB-CB 3.79Å; S66-N123 PolarHBondContact N-OD1 3.47Å; S119-N123 VanDerWaalsContact O-CB 3.28Å; S119-N123 WeakPolarHBondContact O-CB 3.24Å; S119-N123 PolarHBondContact O-N 2.84Å; D120-N123 PolarHBondContact O-N 2.99Å; L121-N123 VanDerWaalsContact C-N 3.34Å; N123-Q127 VanDerWaalsContact CG-NE2 3.28Å; N123-Q127 PolarHBondContact ND2-NE2 3.37Å; N123-Q127 WeakPolarHBondContact O-CB 3.28Å; N123-Q127 VanDerWaalsContact O-CG 3.28Å; N123-Q127 WeakPolarHBondContact O-CG 3.27Å; N123-Q127 PolarHBondContact O-N 3.36Å; N123-Q127 PolarHBondContact O-NE2 3.02Å; N123-Q127 PolarHBondContact OD1-NE2 2.81Å
124	V	70	Confident	68.9	Low	65 Å²	65	37.4 Å²	37.4	39%	0.394	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-41.1	176.7	171.8	0	0	0	0	111	D120 L121 V122 Q127 N128	D120-V124 WeakPolarHBondContact O-CG2 3.48Å; D120-V124 PolarHBondContact O-N 3.07Å; L121-V124 PolarHBondContact O-N 2.87Å; V122-V124 PolarHBondContact O-N 2.85Å; V124-Q127 PolarHBondContact O-N 2.95Å; V124-N128 VanDerWaalsContact O-CB 3.31Å; V124-N128 WeakPolarHBondContact O-CB 3.33Å; V124-N128 PolarHBondContact O-N 3.39Å; V124-N128 PolarHBondContact O-ND2 3.49Å
125	R	72.7	Confident	67.5	Low	28 Å²	28	41.9 Å²	41.9	11%	0.106	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-46.4	177.8	-74.6	173.6	177.4	-148.2	-1.7	112.1	L121 V122 Q127 N128 D129 R138 Y140 V150 E154	L121-R125 WeakPolarHBondContact O-CB 3.38Å; L121-R125 VanDerWaalsContact O-CG 3.29Å; L121-R125 WeakPolarHBondContact O-CG 3.31Å; L121-R125 PolarHBondContact O-N 2.99Å; V122-R125 PolarHBondContact O-N 3.12Å; R125-Q127 VanDerWaalsContact C-N 3.35Å; R125-Q127 PolarHBondContact O-N 3.34Å; R125-N128 PolarHBondContact O-N 3.08Å; R125-D129 WeakPolarHBondContact O-CB 3.41Å; R125-D129 PolarHBondContact O-N 3.36Å; R125-R138 VanDerWaalsContact NH1-NH1 3.16Å; R125-Y140 HydrophobicContact CB-CE2 4.25Å; R125-V150 VanDerWaalsContact NH1-CG2 3.31Å; R125-E154 IonicContact CZ-OE1 2.7Å; R125-E154 IonicContact CZ-OE2 3.2Å; R125-E154 IonicContact NH1-OE1 3.82Å; R125-E154 PolarHBondContact NH1-OE1 2.92Å; R125-E154 IonicContact NH1-OE2 3.53Å; R125-E154 PolarHBondContact NH1-OE2 3.5Å; R125-E154 VanDerWaalsContact NH1-OE2 3.17Å; R125-E154 IonicContact NH2-OE1 3.28Å; R125-E154 PolarHBondContact NH2-OE1 3.05Å; R125-E154 IonicContact NH2-OE2 2.86Å; R125-E154 PolarHBondContact NH2-OE2 3.01Å
126	M	69.5	Low	66.3	Low	15 Å²	15	44.7 Å²	44.7	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.9	-73	-176.2	76.1	0	0	111.9	A65 V122 D129 Y140	A65-M126 HydrophobicContact CB-SD 3.77Å; V122-M126 HydrophobicContact CG1-CG 4.16Å; V122-M126 HydrophobicContact CG1-SD 3.86Å; V122-M126 WeakPolarHBondContact O-CB 3.48Å; V122-M126 WeakPolarHBondContact O-CG 3.35Å; V122-M126 PolarHBondContact O-N 3.01Å; M126-D129 WeakPolarHBondContact O-CB 3.32Å; M126-D129 PolarHBondContact O-N 3.11Å; M126-Y140 HydrophobicContact CG-CD2 3.98Å; M126-Y140 HydrophobicContact CG-CG 4.3Å
127	Q	63.2	Low	65.6	Low	14 Å²	14	48.5 Å²	48.5	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-34	176.9	-73.4	172.5	98	0	0	112.9	N123 V124 R125	N123-Q127 VanDerWaalsContact CG-NE2 3.28Å; N123-Q127 PolarHBondContact ND2-NE2 3.37Å; N123-Q127 WeakPolarHBondContact O-CB 3.28Å; N123-Q127 VanDerWaalsContact O-CG 3.28Å; N123-Q127 WeakPolarHBondContact O-CG 3.27Å; N123-Q127 PolarHBondContact O-N 3.36Å; N123-Q127 PolarHBondContact O-NE2 3.02Å; N123-Q127 PolarHBondContact OD1-NE2 2.81Å; V124-Q127 PolarHBondContact O-N 2.95Å; R125-Q127 VanDerWaalsContact C-N 3.35Å; R125-Q127 PolarHBondContact O-N 3.34Å
128	N	64.6	Low	64.7	Low	51 Å²	51	53.1 Å²	53.1	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-80.1	-19.3	176.2	-76.3	-21.9	0	0	0	113.1	V124 R125 M130 K131	V124-N128 VanDerWaalsContact O-CB 3.31Å; V124-N128 WeakPolarHBondContact O-CB 3.33Å; V124-N128 PolarHBondContact O-N 3.39Å; V124-N128 PolarHBondContact O-ND2 3.49Å; R125-N128 PolarHBondContact O-N 3.08Å; N128-M130 PolarHBondContact O-N 3.47Å; N128-K131 WeakPolarHBondContact O-CB 3.29Å; N128-K131 PolarHBondContact O-N 3.39Å
129	D	64.4	Low	64.1	Low	12 Å²	12	57.9 Å²	57.9	6%	0.064	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-33.4	-175.7	-143.2	13.9	0	0	0	112.5	R125 M126 K131 L132 R137 R138 N139	R125-D129 WeakPolarHBondContact O-CB 3.41Å; R125-D129 PolarHBondContact O-N 3.36Å; M126-D129 WeakPolarHBondContact O-CB 3.32Å; M126-D129 PolarHBondContact O-N 3.11Å; D129-K131 PolarHBondContact O-N 3.36Å; D129-L132 PolarHBondContact O-N 2.61Å; D129-R137 WeakPolarHBondContact OD1-CA 3.37Å; D129-R138 VanDerWaalsContact CG-N 3.33Å; D129-R138 PolarHBondContact OD1-N 3.29Å; D129-R138 WeakPolarHBondContact OD2-CA 3.49Å; D129-R138 WeakPolarHBondContact OD2-CB 3.41Å; D129-R138 PolarHBondContact OD2-N 3.04Å; D129-N139 PolarHBondContact OD2-N 3.47Å
130	M	57	Low	63.3	Low	24 Å²	24	58.4 Å²	58.4	12%	0.118	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.4	175.6	-76.8	-179.5	61.2	0	0	113.6	L28 V50 D54 A58 S61 N128 R137	L28-M130 HydrophobicContact CD1-SD 4.26Å; V50-M130 HydrophobicContact CG1-CE 3.76Å; D54-M130 HydrophobicContact CB-CE 4.01Å; A58-M130 HydrophobicContact CB-CE 3.32Å; A58-M130 HydrophobicContact CB-SD 3.99Å; S61-M130 PolarHBondContact OG-SD 3.27Å; N128-M130 PolarHBondContact O-N 3.47Å; M130-R137 PolarHBondContact O-NH2 2.97Å
131	K	54.1	Low	62.8	Low	78 Å²	78	64 Å²	64	34%	0.339	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-19.2	-179.6	-64.8	-174.3	162.6	-159	0	113.7	H32 T35 N128 D129	H32-K131 WeakPolarHBondContact CD2-CE 3.38Å; H32-K131 WeakPolarHBondContact NE2-CG 3.44Å; H32-K131 PolarHBondContact O-NZ 2.92Å; T35-K131 PolarHBondContact OG1-NZ 2.89Å; N128-K131 WeakPolarHBondContact O-CB 3.29Å; N128-K131 PolarHBondContact O-N 3.39Å; D129-K131 PolarHBondContact O-N 3.36Å
132	L	56.2	Low	62.7	Low	49 Å²	49	68.3 Å²	68.3	26%	0.257	33%	0.332	S	S	.	.	S	Bend	trans	-75.3	140.6	-179.1	-76.9	150.8	0	0	0	109.2	D129 Q136 R137	D129-L132 PolarHBondContact O-N 2.61Å; L132-Q136 HydrophobicContact CB-CB 4.2Å; L132-Q136 HydrophobicContact CD2-CB 3.93Å; L132-R137 HydrophobicContact CB-CG 4.38Å; L132-R137 WeakPolarHBondContact O-CG 3.4Å; L132-R137 PolarHBondContact O-NE 2.88Å; L132-R137 VanDerWaalsContact O-NE 3.15Å
133	P	48.7	Very low	62.4	Low	64 Å²	64	68.5 Å²	68.5	42%	0.416	33%	0.334	S	S	.	.			trans	-54.2	150.1	171.8	22.2	-30.8	0	0	0	109.6	E135 Q136 R137	P133-E135 PolarHBondContact O-N 3.14Å; P133-Q136 HydrophobicContact CG-CB 4.43Å; P133-Q136 HydrophobicContact CG-CG 4.44Å; P133-Q136 PolarHBondContact O-N 3.33Å; P133-R137 PolarHBondContact O-N 3.43Å
134	P	55.1	Low	62.4	Low	101 Å²	101	73.2 Å²	73.2	66%	0.656	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-48.8	-31.8	-170.3	-27.1	32.7	0	0	0	114.6
135	E	51.5	Low	62.9	Low	189 Å²	189	72.6 Å²	72.6	88%	0.883	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-73.6	-19.7	-179.1	-62.6	165.6	-179.7	0	0	114.4	P133	P133-E135 PolarHBondContact O-N 3.14Å
136	Q	57.3	Low	63	Low	126 Å²	126	71.2 Å²	71.2	59%	0.589	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-112.4	3.7	178.8	-65.1	-178	9.4	0	0	113.2	L132 P133 R138	L132-Q136 HydrophobicContact CB-CB 4.2Å; L132-Q136 HydrophobicContact CD2-CB 3.93Å; P133-Q136 HydrophobicContact CG-CB 4.43Å; P133-Q136 HydrophobicContact CG-CG 4.44Å; P133-Q136 PolarHBondContact O-N 3.33Å; Q136-R138 PolarHBondContact O-N 3.4Å
137	R	61.1	Low	63.4	Low	82 Å²	82	73.3 Å²	73.3	31%	0.309	36%	0.364	S	S	.	.			trans	-66.7	122.7	176.7	-68.4	-174.6	175.9	-174.6	-10.8	109.5	D54 D129 M130 L132 P133 N139	D54-R137 IonicContact OD1-CZ 3.36Å; D54-R137 IonicContact OD1-NH1 3.39Å; D54-R137 IonicContact OD1-NH2 3.36Å; D54-R137 PolarHBondContact OD1-NH2 3.12Å; D129-R137 WeakPolarHBondContact OD1-CA 3.37Å; M130-R137 PolarHBondContact O-NH2 2.97Å; L132-R137 HydrophobicContact CB-CG 4.38Å; L132-R137 WeakPolarHBondContact O-CG 3.4Å; L132-R137 PolarHBondContact O-NE 2.88Å; L132-R137 VanDerWaalsContact O-NE 3.15Å; P133-R137 PolarHBondContact O-N 3.43Å; R137-N139 VanDerWaalsContact C-N 3.28Å; R137-N139 PolarHBondContact O-N 3.31Å
138	R	59.5	Low	64.3	Low	100 Å²	100	79 Å²	79	38%	0.377	39%	0.386	S	S	.	.			trans	-75.6	-18.6	179.8	-61.5	175.2	178.5	-149.3	-7.6	111.9	R125 D129 Q136 Y140 R149 E154	R125-R138 VanDerWaalsContact NH1-NH1 3.16Å; D129-R138 VanDerWaalsContact CG-N 3.33Å; D129-R138 PolarHBondContact OD1-N 3.29Å; D129-R138 WeakPolarHBondContact OD2-CA 3.49Å; D129-R138 WeakPolarHBondContact OD2-CB 3.41Å; D129-R138 PolarHBondContact OD2-N 3.04Å; Q136-R138 PolarHBondContact O-N 3.4Å; R138-Y140 HydrophobicContact CB-CD2 4.09Å; R138-Y140 HydrophobicContact CB-CE2 3.59Å; R138-Y140 HydrophobicContact CG-CE2 4.41Å; R138-Y140 PolarHBondContact O-N 2.83Å; R138-R149 VanDerWaalsContact O-CZ 3.26Å; R138-R149 PolarHBondContact O-NH1 2.9Å; R138-R149 PolarHBondContact O-NH2 2.86Å; R138-E154 IonicContact NH1-OE1 3.43Å; R138-E154 PolarHBondContact NH1-OE1 2.94Å
139	N	64	Low	65	Low	115 Å²	115	79 Å²	79	62%	0.615	38%	0.381	S	S	*	.			trans	44.9	58.4	172.9	-86.7	-39	0	0	0	113	D129 R137 K141 R149	D129-N139 PolarHBondContact OD2-N 3.47Å; R137-N139 VanDerWaalsContact C-N 3.28Å; R137-N139 PolarHBondContact O-N 3.31Å; N139-K141 PolarHBondContact O-N 2.85Å; N139-R149 PolarHBondContact O-NH1 3.29Å
140	Y	61.8	Low	65.7	Low	19 Å²	19	78.4 Å²	78.4	8%	0.075	38%	0.378	C	S	.	.			trans	-69.2	126	170.8	-62.9	-70.2	0	0	0	110	R125 M126 R138 R149 V150	R125-Y140 HydrophobicContact CB-CE2 4.25Å; M126-Y140 HydrophobicContact CG-CD2 3.98Å; M126-Y140 HydrophobicContact CG-CG 4.3Å; R138-Y140 HydrophobicContact CB-CD2 4.09Å; R138-Y140 HydrophobicContact CB-CE2 3.59Å; R138-Y140 HydrophobicContact CG-CE2 4.41Å; R138-Y140 PolarHBondContact O-N 2.83Å; Y140-R149 HydrophobicContact CE1-CB 4.1Å; Y140-V150 HydrophobicContact CE1-CG2 4.49Å
141	K	61.6	Low	66.8	Low	165 Å²	165	82.6 Å²	82.6	72%	0.717	40%	0.396	S	S	*	.	S	Bend	trans	-71.1	-44	-179.5	-70	-178.2	178.5	-177.2	0	111.4	N139 D145	N139-K141 PolarHBondContact O-N 2.85Å; K141-D145 PolarHBondContact N-OD2 2.9Å; K141-D145 VanDerWaalsContact N-OD2 3.08Å
142	H	73.6	Confident	68.1	Low	121 Å²	121	87.6 Å²	87.6	56%	0.56	41%	0.413	S	S	*	.	S	Bend	trans	-148.3	166.9	-179.7	-56.5	-61.5	0	0	0	111.4	V144 D145 G146	H142-V144 VanDerWaalsContact C-N 3.27Å; H142-V144 PolarHBondContact O-N 3.27Å; H142-D145 WeakPolarHBondContact O-CB 3.22Å; H142-D145 PolarHBondContact O-N 2.92Å; H142-D145 VanDerWaalsContact O-N 3.17Å; H142-G146 PolarHBondContact O-N 3.28Å
143	A	69.6	Low	69.3	Low	8 Å²	8	91.3 Å²	91.3	7%	0.066	43%	0.429	C	S	.	.	H	α-helix	trans	-53.2	-40.4	178.1	0	0	0	0	0	114.2	S64 A65 C68 G146 L147	S64-A143 PolarHBondContact OG-N 2.93Å; A65-A143 HydrophobicContact CB-CB 3.94Å; C68-A143 HydrophobicContact CB-CB 4.04Å; A143-G146 PolarHBondContact O-N 2.79Å; A143-L147 WeakPolarHBondContact O-CB 3.44Å; A143-L147 PolarHBondContact O-N 3.49Å
144	V	75.8	Confident	70.6	Confident	111 Å²	111	91 Å²	91	67%	0.673	42%	0.422	S	S	*	.	H	α-helix	trans	-71	-40.5	-179.3	-178.8	0	0	0	0	111.2	H142 G146 L147 Y148	H142-V144 VanDerWaalsContact C-N 3.27Å; H142-V144 PolarHBondContact O-N 3.27Å; V144-G146 VanDerWaalsContact C-N 3.32Å; V144-G146 PolarHBondContact O-N 3.44Å; V144-L147 PolarHBondContact O-N 2.75Å; V144-Y148 VanDerWaalsContact O-CB 3.29Å; V144-Y148 WeakPolarHBondContact O-CB 3.28Å; V144-Y148 PolarHBondContact O-N 3.49Å
145	D	78.9	Confident	71.7	Confident	52 Å²	52	87.4 Å²	87.4	28%	0.278	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-41.6	173.6	177.9	48.2	0	0	0	110.8	K141 H142 Y148 R149	K141-D145 PolarHBondContact N-OD2 2.9Å; K141-D145 VanDerWaalsContact N-OD2 3.08Å; H142-D145 WeakPolarHBondContact O-CB 3.22Å; H142-D145 PolarHBondContact O-N 2.92Å; H142-D145 VanDerWaalsContact O-N 3.17Å; D145-Y148 PolarHBondContact O-N 2.96Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CG 3.44Å; D145-R149 PolarHBondContact O-N 3.14Å
146	G	74.7	Confident	73	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-41.6	172.9	0	0	0	0	0	113.9	H142 A143 V144 V150	H142-G146 PolarHBondContact O-N 3.28Å; A143-G146 PolarHBondContact O-N 2.79Å; V144-G146 VanDerWaalsContact C-N 3.32Å; V144-G146 PolarHBondContact O-N 3.44Å; G146-V150 WeakPolarHBondContact O-CB 3.5Å; G146-V150 WeakPolarHBondContact O-CG2 3.35Å; G146-V150 PolarHBondContact O-N 3.44Å
147	L	78.4	Confident	73.7	Confident	58 Å²	58	87.3 Å²	87.3	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-44.9	176.6	-155.8	78.8	0	0	0	111.3	P118 V122 A143 V144 F151 L159	P118-L147 HydrophobicContact CB-CD1 3.6Å; V122-L147 HydrophobicContact CG2-CB 4.38Å; V122-L147 HydrophobicContact CG2-CD1 3.85Å; A143-L147 WeakPolarHBondContact O-CB 3.44Å; A143-L147 PolarHBondContact O-N 3.49Å; V144-L147 PolarHBondContact O-N 2.75Å; L147-F151 VanDerWaalsContact O-CB 3.3Å; L147-F151 WeakPolarHBondContact O-CB 3.16Å; L147-F151 PolarHBondContact O-N 3.23Å; L147-L159 HydrophobicContact CD1-CD1 3.94Å; L147-L159 HydrophobicContact CG-CD1 4.44Å
148	Y	81.8	Confident	74.2	Confident	135 Å²	135	89 Å²	89	53%	0.529	40%	0.404	S	S	.	.	H	α-helix	trans	-66.1	-46.2	-178.8	-179.5	-106.4	0	0	0	112.3	V144 D145 F151 R152	V144-Y148 VanDerWaalsContact O-CB 3.29Å; V144-Y148 WeakPolarHBondContact O-CB 3.28Å; V144-Y148 PolarHBondContact O-N 3.49Å; D145-Y148 PolarHBondContact O-N 2.96Å; Y148-F151 PolarHBondContact O-N 3.5Å; Y148-R152 WeakPolarHBondContact O-CB 3.45Å; Y148-R152 PolarHBondContact O-N 3.43Å
149	R	79.1	Confident	75	Confident	49 Å²	49	84.9 Å²	84.9	19%	0.185	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-44.4	176.5	-82.6	170.7	45.3	-169.4	-10	112.3	R138 N139 Y140 D145 F151 R152 E153	R138-R149 VanDerWaalsContact O-CZ 3.26Å; R138-R149 PolarHBondContact O-NH1 2.9Å; R138-R149 PolarHBondContact O-NH2 2.86Å; N139-R149 PolarHBondContact O-NH1 3.29Å; Y140-R149 HydrophobicContact CE1-CB 4.1Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CG 3.44Å; D145-R149 PolarHBondContact O-N 3.14Å; R149-F151 VanDerWaalsContact C-N 3.3Å; R149-F151 PolarHBondContact O-N 2.64Å; R149-R152 PolarHBondContact O-N 3.18Å; R149-E153 VanDerWaalsContact O-CB 3.25Å; R149-E153 WeakPolarHBondContact O-CB 3.44Å; R149-E153 WeakPolarHBondContact O-CG 3.48Å; R149-E153 PolarHBondContact O-N 3.36Å
150	V	79.1	Confident	75.5	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	38%	0.375	C	S	.	.	I	π-helix	trans	-62.8	-41.1	176.8	174.2	0	0	0	0	110.9	L121 R125 Y140 G146 E154 G155 L159	L121-V150 HydrophobicContact CD2-CG1 4.12Å; R125-V150 VanDerWaalsContact NH1-CG2 3.31Å; Y140-V150 HydrophobicContact CE1-CG2 4.49Å; G146-V150 WeakPolarHBondContact O-CB 3.5Å; G146-V150 WeakPolarHBondContact O-CG2 3.35Å; G146-V150 PolarHBondContact O-N 3.44Å; V150-E154 HydrophobicContact CG1-CB 4.41Å; V150-E154 WeakPolarHBondContact O-CB 3.47Å; V150-E154 PolarHBondContact O-N 3.49Å; V150-G155 PolarHBondContact O-N 2.9Å; V150-G155 VanDerWaalsContact O-N 3.1Å; V150-L159 HydrophobicContact CB-CD1 4.18Å; V150-L159 HydrophobicContact CG1-CD1 3.73Å
151	F	81.6	Confident	75.6	Confident	113 Å²	113	85 Å²	85	50%	0.496	39%	0.394	S	S	.	.	I	π-helix	trans	-61.2	-44	175.9	-179.7	-94.1	0	0	0	112.3	L147 Y148 R149 G155 V156	L147-F151 VanDerWaalsContact O-CB 3.3Å; L147-F151 WeakPolarHBondContact O-CB 3.16Å; L147-F151 PolarHBondContact O-N 3.23Å; Y148-F151 PolarHBondContact O-N 3.5Å; R149-F151 VanDerWaalsContact C-N 3.3Å; R149-F151 PolarHBondContact O-N 2.64Å; F151-G155 WeakPolarHBondContact O-CA 3.29Å; F151-G155 PolarHBondContact O-N 3.3Å; F151-V156 HydrophobicContact CD2-CG2 3.92Å; F151-V156 HydrophobicContact CE2-CG2 3.46Å; F151-V156 VanDerWaalsContact CE2-CG2 3.46Å; F151-V156 HydrophobicContact CZ-CG2 4.24Å
152	R	80.8	Confident	75.9	Confident	183 Å²	183	78.9 Å²	78.9	69%	0.691	38%	0.377	S	S	*	.	I	π-helix	trans	-79.6	-39.1	-176	-176.7	178.1	158	-178.9	-6.2	114	Y148 R149	Y148-R152 WeakPolarHBondContact O-CB 3.45Å; Y148-R152 PolarHBondContact O-N 3.43Å; R149-R152 PolarHBondContact O-N 3.18Å
153	E	81.2	Confident	75.8	Confident	126 Å²	126	73.6 Å²	73.6	59%	0.589	35%	0.354	S	S	*	.	I	π-helix	trans	-93.7	-38.2	-172.2	-63.6	169.4	-174.5	0	0	112.7	R149	R149-E153 VanDerWaalsContact O-CB 3.25Å; R149-E153 WeakPolarHBondContact O-CB 3.44Å; R149-E153 WeakPolarHBondContact O-CG 3.48Å; R149-E153 PolarHBondContact O-N 3.36Å
154	E	75.5	Confident	75.7	Confident	57 Å²	57	77.6 Å²	77.6	27%	0.266	38%	0.382	S	S	.	.	I	π-helix	trans	-108.9	-14.4	-175.1	-64	-171.8	-152.8	0	0	113.3	R125 R138 V150 R158	R125-E154 IonicContact CZ-OE1 2.7Å; R125-E154 IonicContact CZ-OE2 3.2Å; R125-E154 IonicContact NH1-OE1 3.82Å; R125-E154 PolarHBondContact NH1-OE1 2.92Å; R125-E154 IonicContact NH1-OE2 3.53Å; R125-E154 PolarHBondContact NH1-OE2 3.5Å; R125-E154 VanDerWaalsContact NH1-OE2 3.17Å; R125-E154 IonicContact NH2-OE1 3.28Å; R125-E154 PolarHBondContact NH2-OE1 3.05Å; R125-E154 IonicContact NH2-OE2 2.86Å; R125-E154 PolarHBondContact NH2-OE2 3.01Å; R138-E154 IonicContact NH1-OE1 3.43Å; R138-E154 PolarHBondContact NH1-OE1 2.94Å; V150-E154 HydrophobicContact CG1-CB 4.41Å; V150-E154 WeakPolarHBondContact O-CB 3.47Å; V150-E154 PolarHBondContact O-N 3.49Å; E154-R158 HydrophobicContact CB-CB 3.75Å; E154-R158 HydrophobicContact CB-CG 4.04Å; E154-R158 IonicContact OE1-NH1 3.96Å; E154-R158 WeakPolarHBondContact OE2-CD 3.37Å; E154-R158 IonicContact OE2-CZ 2.9Å; E154-R158 IonicContact OE2-NE 2.64Å; E154-R158 IonicContact OE2-NH1 2.77Å; E154-R158 PolarHBondContact OE2-NH1 3.39Å
155	G	79.3	Confident	75.3	Confident	26 Å²	26	74.4 Å²	74.4	27%	0.268	36%	0.36	S	S	.	.			trans	80.7	168.1	176.7	0	0	0	0	0	115.2	V150 F151 R157 R158 L159	V150-G155 PolarHBondContact O-N 2.9Å; V150-G155 VanDerWaalsContact O-N 3.1Å; F151-G155 WeakPolarHBondContact O-CA 3.29Å; F151-G155 PolarHBondContact O-N 3.3Å; G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 3.21Å; G155-R158 PolarHBondContact O-N 3.34Å; G155-R158 VanDerWaalsContact O-N 3.14Å; G155-L159 PolarHBondContact O-N 2.84Å
156	V	77.3	Confident	74.9	Confident	74 Å²	74	72.3 Å²	72.3	45%	0.448	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-35	-174	-170.6	0	0	0	0	112.7	F151 R158 L159 F160	F151-V156 HydrophobicContact CD2-CG2 3.92Å; F151-V156 HydrophobicContact CE2-CG2 3.46Å; F151-V156 VanDerWaalsContact CE2-CG2 3.46Å; F151-V156 HydrophobicContact CZ-CG2 4.24Å; V156-R158 VanDerWaalsContact C-N 3.29Å; V156-R158 PolarHBondContact O-N 3.5Å; V156-L159 WeakPolarHBondContact O-CB 3.22Å; V156-L159 PolarHBondContact O-N 2.85Å; V156-L159 VanDerWaalsContact O-N 3.16Å; V156-F160 HydrophobicContact CG1-CD2 3.96Å; V156-F160 HydrophobicContact CG1-CE2 3.93Å; V156-F160 WeakPolarHBondContact O-CD2 3.45Å; V156-F160 PolarHBondContact O-N 3.03Å
157	R	72.4	Confident	74.9	Confident	239 Å²	239	72.4 Å²	72.4	90%	0.902	35%	0.35	S	S	*	.	H	α-helix	trans	-61.3	-36.7	178	-75.1	-175.4	175.1	177.8	-0.9	112.5	G155 S161	G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 3.21Å; R157-S161 PolarHBondContact O-N 3Å
158	R	73.1	Confident	74.7	Confident	118 Å²	118	70.9 Å²	70.9	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-74.9	-31.4	176.7	-100.9	-74.3	-172.3	112.6	-7	112.2	L121 E154 G155 V156 F160 S161	L121-R158 VanDerWaalsContact CD2-O 3.26Å; L121-R158 WeakPolarHBondContact CD2-O 3.49Å; E154-R158 HydrophobicContact CB-CB 3.75Å; E154-R158 HydrophobicContact CB-CG 4.04Å; E154-R158 IonicContact OE1-NH1 3.96Å; E154-R158 WeakPolarHBondContact OE2-CD 3.37Å; E154-R158 IonicContact OE2-CZ 2.9Å; E154-R158 IonicContact OE2-NE 2.64Å; E154-R158 IonicContact OE2-NH1 2.77Å; E154-R158 PolarHBondContact OE2-NH1 3.39Å; G155-R158 PolarHBondContact O-N 3.34Å; G155-R158 VanDerWaalsContact O-N 3.14Å; V156-R158 VanDerWaalsContact C-N 3.29Å; V156-R158 PolarHBondContact O-N 3.5Å; R158-F160 VanDerWaalsContact C-N 3.3Å; R158-F160 PolarHBondContact O-N 2.7Å; R158-S161 WeakPolarHBondContact O-CB 3.35Å; R158-S161 PolarHBondContact O-N 2.97Å; R158-S161 VanDerWaalsContact O-N 3.11Å
159	L	74.8	Confident	74.2	Confident	13 Å²	13	68.6 Å²	68.6	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-36.5	176.7	-162.7	72.7	0	0	0	112.5	P118 L147 V150 G155 V156	P118-L159 HydrophobicContact CB-CD1 4.01Å; P118-L159 HydrophobicContact CB-CD2 3.92Å; P118-L159 HydrophobicContact CB-CG 3.7Å; P118-L159 HydrophobicContact CG-CD2 4.08Å; P118-L159 HydrophobicContact CG-CG 4.03Å; L147-L159 HydrophobicContact CD1-CD1 3.94Å; L147-L159 HydrophobicContact CG-CD1 4.44Å; V150-L159 HydrophobicContact CB-CD1 4.18Å; V150-L159 HydrophobicContact CG1-CD1 3.73Å; G155-L159 PolarHBondContact O-N 2.84Å; V156-L159 WeakPolarHBondContact O-CB 3.22Å; V156-L159 PolarHBondContact O-N 2.85Å; V156-L159 VanDerWaalsContact O-N 3.16Å
160	F	74.3	Confident	73.8	Confident	70 Å²	70	66.5 Å²	66.5	31%	0.307	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.7	175	-69.8	-84.7	0	0	0	113.6	F114 P118 V156 R158 G162 A163	F114-F160 HydrophobicContact CD1-CE1 4.24Å; F114-F160 HydrophobicContact CD2-CD1 4.49Å; F114-F160 HydrophobicContact CE1-CD1 4.31Å; F114-F160 AromaticContact CE1-CE1 3.75Å; F114-F160 HydrophobicContact CE1-CE1 3.75Å; F114-F160 HydrophobicContact CE1-CZ 4.42Å; F114-F160 AromaticContact CE2-CD1 3.96Å; F114-F160 HydrophobicContact CE2-CD1 3.96Å; F114-F160 HydrophobicContact CE2-CE1 4.23Å; F114-F160 AromaticContact CZ-CD1 3.86Å; F114-F160 HydrophobicContact CZ-CD1 3.86Å; F114-F160 AromaticContact CZ-CE1 3.74Å; F114-F160 HydrophobicContact CZ-CE1 3.74Å; F114-F160 HydrophobicContact CZ-CZ 4.49Å; P118-F160 HydrophobicContact CG-CE1 4.1Å; P118-F160 HydrophobicContact CG-CZ 4.11Å; V156-F160 HydrophobicContact CG1-CD2 3.96Å; V156-F160 HydrophobicContact CG1-CE2 3.93Å; V156-F160 WeakPolarHBondContact O-CD2 3.45Å; V156-F160 PolarHBondContact O-N 3.03Å; R158-F160 VanDerWaalsContact C-N 3.3Å; R158-F160 PolarHBondContact O-N 2.7Å; F160-G162 PolarHBondContact O-N 3.12Å; F160-A163 HydrophobicContact CB-CB 4.16Å; F160-A163 HydrophobicContact CD1-CB 4.21Å; F160-A163 VanDerWaalsContact O-CB 3.22Å; F160-A163 WeakPolarHBondContact O-CB 3.49Å; F160-A163 PolarHBondContact O-N 2.85Å
161	S	65.4	Low	73.4	Confident	68 Å²	68	67.4 Å²	67.4	48%	0.476	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	111.1	173.6	-179.9	0	0	0	0	109.6	R157 R158	R157-S161 PolarHBondContact O-N 3Å; R158-S161 WeakPolarHBondContact O-CB 3.35Å; R158-S161 PolarHBondContact O-N 2.97Å; R158-S161 VanDerWaalsContact O-N 3.11Å
162	G	67.1	Low	72.8	Confident	35 Å²	35	65.8 Å²	65.8	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.1	4.4	-174.6	0	0	0	0	0	114.8	F160 S164 M165 A166	F160-G162 PolarHBondContact O-N 3.12Å; G162-S164 VanDerWaalsContact C-N 3.3Å; G162-S164 PolarHBondContact O-N 3.26Å; G162-M165 PolarHBondContact O-N 3.34Å; G162-M165 VanDerWaalsContact O-N 3.12Å; G162-A166 PolarHBondContact O-N 3.42Å
163	A	70.9	Confident	72.3	Confident	10 Å²	10	58.3 Å²	58.3	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-39.2	178.5	0	0	0	0	0	113.2	F114 T117 F160 M165 A166 S167	F114-A163 HydrophobicContact CD2-CB 4Å; F114-A163 HydrophobicContact CE2-CB 4.16Å; T117-A163 HydrophobicContact CG2-CB 3.89Å; T117-A163 WeakPolarHBondContact OG1-CA 3.5Å; F160-A163 HydrophobicContact CB-CB 4.16Å; F160-A163 HydrophobicContact CD1-CB 4.21Å; F160-A163 VanDerWaalsContact O-CB 3.22Å; F160-A163 WeakPolarHBondContact O-CB 3.49Å; F160-A163 PolarHBondContact O-N 2.85Å; A163-M165 VanDerWaalsContact C-N 3.34Å; A163-M165 PolarHBondContact O-N 3.45Å; A163-A166 PolarHBondContact O-N 3.19Å; A163-S167 VanDerWaalsContact O-CB 3.23Å; A163-S167 WeakPolarHBondContact O-CB 3.34Å; A163-S167 PolarHBondContact O-N 3.1Å; A163-S167 PolarHBondContact O-OG 2.89Å
164	S	68.6	Low	71.7	Confident	93 Å²	93	53.3 Å²	53.3	65%	0.65	29%	0.289	S	S	*	.	H	α-helix	trans	-60.6	-42.8	176	54.6	0	0	0	0	112.1	G162 G168	G162-S164 VanDerWaalsContact C-N 3.3Å; G162-S164 PolarHBondContact O-N 3.26Å; S164-G168 PolarHBondContact O-N 2.89Å
165	M	66.9	Low	71.4	Confident	44 Å²	44	52.9 Å²	52.9	22%	0.217	29%	0.29	C	S	.	.	H	α-helix	trans	-73.9	-31.3	178.5	-67.5	-59.9	-64.1	0	0	113.1	G162 A163 R169 K223 L226 V236	G162-M165 PolarHBondContact O-N 3.34Å; G162-M165 VanDerWaalsContact O-N 3.12Å; A163-M165 VanDerWaalsContact C-N 3.34Å; A163-M165 PolarHBondContact O-N 3.45Å; M165-R169 VanDerWaalsContact O-CB 3.31Å; M165-R169 WeakPolarHBondContact O-CB 3.4Å; M165-R169 PolarHBondContact O-N 3.25Å; M165-K223 HydrophobicContact CE-CB 3.84Å; M165-K223 HydrophobicContact CE-CD 4.48Å; M165-K223 HydrophobicContact CE-CG 3.78Å; M165-K223 PolarHBondContact O-NZ 3.46Å; M165-L226 HydrophobicContact CE-CD2 4.15Å; M165-L226 HydrophobicContact CG-CD2 4.43Å; M165-L226 HydrophobicContact SD-CD2 4.13Å; M165-V236 HydrophobicContact SD-CG2 4.23Å
166	A	70.8	Confident	70.7	Confident	8 Å²	8	52.1 Å²	52.1	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-72	-47.1	174	0	0	0	0	0	111.3	T117 G162 A163 R169 G170	T117-A166 WeakPolarHBondContact OG1-CB 3.3Å; G162-A166 PolarHBondContact O-N 3.42Å; A163-A166 PolarHBondContact O-N 3.19Å; A166-R169 PolarHBondContact O-N 3.12Å; A166-G170 PolarHBondContact O-N 3.43Å
167	S	75.4	Confident	70.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-45.2	179.3	-49.6	0	0	0	0	111.7	F110 F114 A163 R169 G170 A171	F110-S167 WeakPolarHBondContact CA-O 3.37Å; F110-S167 VanDerWaalsContact CD2-CB 3.48Å; F110-S167 VanDerWaalsContact O-CB 3.25Å; F110-S167 WeakPolarHBondContact O-CB 3.22Å; F110-S167 PolarHBondContact O-OG 3.45Å; F114-S167 WeakPolarHBondContact CA-OG 3.34Å; F114-S167 PolarHBondContact N-OG 3.39Å; A163-S167 VanDerWaalsContact O-CB 3.23Å; A163-S167 WeakPolarHBondContact O-CB 3.34Å; A163-S167 PolarHBondContact O-N 3.1Å; A163-S167 PolarHBondContact O-OG 2.89Å; S167-R169 PolarHBondContact O-N 3.17Å; S167-G170 PolarHBondContact O-N 2.89Å; S167-A171 PolarHBondContact O-N 3.25Å
168	G	72.9	Confident	69.7	Low	26 Å²	26	44.5 Å²	44.5	27%	0.268	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.3	0	0	0	0	0	112.5	S164 A171 L172	S164-G168 PolarHBondContact O-N 2.89Å; G168-A171 PolarHBondContact O-N 2.67Å; G168-L172 WeakPolarHBondContact O-CB 3.28Å; G168-L172 WeakPolarHBondContact O-CD1 3.22Å; G168-L172 VanDerWaalsContact O-CG 3.22Å; G168-L172 WeakPolarHBondContact O-CG 3.18Å; G168-L172 PolarHBondContact O-N 3.09Å
169	R	71.7	Confident	69.3	Low	88 Å²	88	40.5 Å²	40.5	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-48.5	173.1	-178.7	-165.4	169.8	97.4	9.4	111.3	M165 A166 S167 A171 L172 V173 D220 K223	M165-R169 VanDerWaalsContact O-CB 3.31Å; M165-R169 WeakPolarHBondContact O-CB 3.4Å; M165-R169 PolarHBondContact O-N 3.25Å; A166-R169 PolarHBondContact O-N 3.12Å; S167-R169 PolarHBondContact O-N 3.17Å; R169-A171 VanDerWaalsContact C-N 3.32Å; R169-A171 PolarHBondContact O-N 2.99Å; R169-L172 PolarHBondContact O-N 2.9Å; R169-V173 HydrophobicContact CG-CG2 4.13Å; R169-V173 WeakPolarHBondContact O-CB 3.31Å; R169-V173 VanDerWaalsContact O-CG2 3.29Å; R169-V173 WeakPolarHBondContact O-CG2 3.4Å; R169-V173 PolarHBondContact O-N 3.32Å; R169-D220 IonicContact CZ-OD1 3.91Å; R169-D220 IonicContact CZ-OD2 3.69Å; R169-D220 VanDerWaalsContact CZ-OD2 3.28Å; R169-D220 IonicContact NE-OD1 3.17Å; R169-D220 IonicContact NH1-OD1 3.4Å; R169-D220 PolarHBondContact NH1-OD1 3.42Å; R169-D220 IonicContact NH1-OD2 2.68Å; R169-D220 PolarHBondContact NH1-OD2 3.34Å; R169-D220 IonicContact NH2-OD1 3.49Å; R169-D220 IonicContact NH2-OD2 3.49Å; R169-D220 PolarHBondContact NH2-OD2 2.91Å; R169-K223 HydrophobicContact CB-CD 4.45Å
170	G	70.3	Confident	68.8	Low	5 Å²	5	40.7 Å²	40.7	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-42.9	-178.4	0	0	0	0	0	112.4	G109 A166 S167 T174	G109-G170 VanDerWaalsContact C-C 3.49Å; G109-G170 VanDerWaalsContact CA-C 3.48Å; G109-G170 WeakPolarHBondContact CA-O 3.46Å; G109-G170 CarbonylContact O-C 3.55Å; G109-G170 WeakPolarHBondContact O-CA 3.25Å; A166-G170 PolarHBondContact O-N 3.43Å; S167-G170 PolarHBondContact O-N 2.89Å; G170-T174 WeakPolarHBondContact O-CB 3.25Å; G170-T174 PolarHBondContact O-N 3.2Å; G170-T174 VanDerWaalsContact O-N 3.14Å; G170-T174 PolarHBondContact O-OG1 3.1Å
171	A	71.1	Confident	68.2	Low	18 Å²	18	42.2 Å²	42.2	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-50.7	174.7	0	0	0	0	0	111.7	A106 F110 S167 G168 R169 V173 T174 V175	A106-A171 HydrophobicContact CB-CB 4.48Å; A106-A171 WeakPolarHBondContact O-CB 3.5Å; F110-A171 HydrophobicContact CB-CB 4.26Å; S167-A171 PolarHBondContact O-N 3.25Å; G168-A171 PolarHBondContact O-N 2.67Å; R169-A171 VanDerWaalsContact C-N 3.32Å; R169-A171 PolarHBondContact O-N 2.99Å; A171-V173 PolarHBondContact O-N 2.83Å; A171-T174 PolarHBondContact O-N 2.79Å; A171-V175 VanDerWaalsContact O-CG2 3.27Å; A171-V175 WeakPolarHBondContact O-CG2 3.49Å; A171-V175 PolarHBondContact O-N 3.32Å
172	L	68.7	Low	68	Low	79 Å²	79	41.2 Å²	41.2	41%	0.414	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-42.1	-177.3	-70	164.6	0	0	0	112.8	G168 R169 T174 V175 G176 L219	G168-L172 WeakPolarHBondContact O-CB 3.28Å; G168-L172 WeakPolarHBondContact O-CD1 3.22Å; G168-L172 VanDerWaalsContact O-CG 3.22Å; G168-L172 WeakPolarHBondContact O-CG 3.18Å; G168-L172 PolarHBondContact O-N 3.09Å; R169-L172 PolarHBondContact O-N 2.9Å; L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 PolarHBondContact O-N 3.23Å; L172-V175 PolarHBondContact O-N 3.21Å; L172-G176 PolarHBondContact O-N 3.02Å; L172-L219 HydrophobicContact CB-CD1 3.93Å; L172-L219 HydrophobicContact CD1-CD1 3.67Å; L172-L219 HydrophobicContact CD1-CD2 3.92Å; L172-L219 HydrophobicContact CD1-CG 4.29Å; L172-L219 HydrophobicContact CD2-CD1 4.12Å; L172-L219 HydrophobicContact CG-CD1 4.11Å
173	V	69.9	Low	67.8	Low	26 Å²	26	45 Å²	45	16%	0.158	25%	0.25	C	S	.	.	H	α-helix	trans	-60.8	-42.4	175.8	169.2	0	0	0	0	110.7	R169 A171 G176 Q177	R169-V173 HydrophobicContact CG-CG2 4.13Å; R169-V173 WeakPolarHBondContact O-CB 3.31Å; R169-V173 VanDerWaalsContact O-CG2 3.29Å; R169-V173 WeakPolarHBondContact O-CG2 3.4Å; R169-V173 PolarHBondContact O-N 3.32Å; A171-V173 PolarHBondContact O-N 2.83Å; V173-G176 PolarHBondContact O-N 3.41Å; V173-Q177 HydrophobicContact CG1-CG 4.43Å; V173-Q177 WeakPolarHBondContact O-CB 3.45Å; V173-Q177 WeakPolarHBondContact O-CG 3.34Å; V173-Q177 PolarHBondContact O-N 3.25Å
174	T	69.4	Low	67.3	Low	22 Å²	22	45 Å²	45	14%	0.135	25%	0.25	C	S	.	.	H	α-helix	trans	-70.7	-40.5	-177.6	-49.4	0	0	0	0	111.6	G105 G170 A171 L172 L178	G105-T174 VanDerWaalsContact C-CG2 3.41Å; G105-T174 VanDerWaalsContact O-CB 3.28Å; G105-T174 WeakPolarHBondContact O-CB 3.31Å; G105-T174 WeakPolarHBondContact O-CG2 3.39Å; G170-T174 WeakPolarHBondContact O-CB 3.25Å; G170-T174 PolarHBondContact O-N 3.2Å; G170-T174 VanDerWaalsContact O-N 3.14Å; G170-T174 PolarHBondContact O-OG1 3.1Å; A171-T174 PolarHBondContact O-N 2.79Å; L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 PolarHBondContact O-N 3.23Å; T174-L178 HydrophobicContact CG2-CD1 4Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 WeakPolarHBondContact O-CG 3.25Å; T174-L178 PolarHBondContact O-N 3.46Å
175	V	69.3	Low	66.8	Low	47 Å²	47	45 Å²	45	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-48.8	173	171	0	0	0	0	110.8	V102 A106 A171 L172 L178 A179	V102-V175 HydrophobicContact CG1-CB 4.29Å; V102-V175 HydrophobicContact CG1-CG1 3.84Å; V102-V175 HydrophobicContact CG1-CG2 3.9Å; A106-V175 HydrophobicContact CB-CG2 3.64Å; A171-V175 VanDerWaalsContact O-CG2 3.27Å; A171-V175 WeakPolarHBondContact O-CG2 3.49Å; A171-V175 PolarHBondContact O-N 3.32Å; L172-V175 PolarHBondContact O-N 3.21Å; V175-L178 PolarHBondContact O-N 2.97Å; V175-A179 WeakPolarHBondContact O-CB 2.89Å; V175-A179 PolarHBondContact O-N 2.95Å
176	G	65.6	Low	66.5	Low	10 Å²	10	48.1 Å²	48.1	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-43.1	180	0	0	0	0	0	112.9	L172 V173 C180	L172-G176 PolarHBondContact O-N 3.02Å; V173-G176 PolarHBondContact O-N 3.41Å; G176-C180 VanDerWaalsContact O-CB 3.3Å; G176-C180 WeakPolarHBondContact O-CB 3.41Å; G176-C180 PolarHBondContact O-N 3.45Å
177	Q	64.2	Low	66	Low	101 Å²	101	53.3 Å²	53.3	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-44.9	175.1	-81.5	-175.3	-49.3	0	0	112	V173 Y181 A212	V173-Q177 HydrophobicContact CG1-CG 4.43Å; V173-Q177 WeakPolarHBondContact O-CB 3.45Å; V173-Q177 WeakPolarHBondContact O-CG 3.34Å; V173-Q177 PolarHBondContact O-N 3.25Å; Q177-Y181 WeakPolarHBondContact O-CB 3.48Å; Q177-Y181 PolarHBondContact O-N 3.38Å; Q177-A212 HydrophobicContact CG-CB 3.69Å
178	L	64.4	Low	65.2	Low	53 Å²	53	55.3 Å²	55.3	28%	0.277	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-42.9	179.2	-80.2	162.7	0	0	0	112.1	K101 V102 T174 V175 Y181 D182	K101-L178 WeakPolarHBondContact O-CD1 3.48Å; V102-L178 HydrophobicContact CG2-CB 4.37Å; T174-L178 HydrophobicContact CG2-CD1 4Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 WeakPolarHBondContact O-CG 3.25Å; T174-L178 PolarHBondContact O-N 3.46Å; V175-L178 PolarHBondContact O-N 2.97Å; L178-Y181 PolarHBondContact O-N 3.45Å; L178-D182 PolarHBondContact O-N 2.99Å; L178-D182 VanDerWaalsContact O-N 3.13Å
179	A	64.3	Low	64.6	Low	34 Å²	34	59.7 Å²	59.7	28%	0.281	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-45.9	178.7	0	0	0	0	0	112.7	F98 V175 Q183	F98-A179 HydrophobicContact CZ-CB 3.94Å; V175-A179 WeakPolarHBondContact O-CB 2.89Å; V175-A179 PolarHBondContact O-N 2.95Å; A179-Q183 PolarHBondContact O-N 3.04Å
180	C	63.7	Low	63.8	Low	17 Å²	17	58.8 Å²	58.8	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-36.9	175.9	-76.8	0	0	0	0	112.8	G176 Q183 A184 C211 L215	G176-C180 VanDerWaalsContact O-CB 3.3Å; G176-C180 WeakPolarHBondContact O-CB 3.41Å; G176-C180 PolarHBondContact O-N 3.45Å; C180-Q183 PolarHBondContact O-N 3.32Å; C180-A184 WeakPolarHBondContact O-CB 3.38Å; C180-A184 PolarHBondContact O-N 3.07Å; C180-C211 HydrophobicContact CB-CB 4.06Å; C180-L215 WeakPolarHBondContact SG-CD1 3.43Å
181	Y	61.9	Low	63.2	Low	101 Å²	101	62.9 Å²	62.9	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-41.7	179.7	178.5	-95.9	0	0	0	111.5	Q177 L178 A184 K185 A208	Q177-Y181 WeakPolarHBondContact O-CB 3.48Å; Q177-Y181 PolarHBondContact O-N 3.38Å; L178-Y181 PolarHBondContact O-N 3.45Å; Y181-A184 PolarHBondContact O-N 3.22Å; Y181-K185 HydrophobicContact CE1-CD 3.98Å; Y181-K185 WeakPolarHBondContact O-CB 3.44Å; Y181-K185 PolarHBondContact O-N 3.14Å; Y181-A208 HydrophobicContact CD2-CB 4.34Å
182	D	61.6	Low	62.3	Low	47 Å²	47	65.4 Å²	65.4	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-43.3	179.6	-154.7	47.4	0	0	0	111.2	F98 L178 K185 Q186	F98-D182 HydrophobicContact CD2-CB 4.02Å; F98-D182 HydrophobicContact CE2-CB 3.76Å; L178-D182 PolarHBondContact O-N 2.99Å; L178-D182 VanDerWaalsContact O-N 3.13Å; D182-K185 PolarHBondContact O-N 2.83Å; D182-Q186 WeakPolarHBondContact O-CB 3.49Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.35Å; D182-Q186 PolarHBondContact O-N 3.36Å; D182-Q186 PolarHBondContact OD2-NE2 3.21Å
183	Q	62.1	Low	61.6	Low	116 Å²	116	67.4 Å²	67.4	54%	0.542	39%	0.392	S	S	.	.	H	α-helix	trans	-64.2	-43.1	176	-146.1	71.3	23.6	0	0	112.3	A179 C180 Q186 L187	A179-Q183 PolarHBondContact O-N 3.04Å; C180-Q183 PolarHBondContact O-N 3.32Å; Q183-Q186 PolarHBondContact O-N 3.06Å; Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 WeakPolarHBondContact O-CD1 3.32Å; Q183-L187 WeakPolarHBondContact O-CG 3.38Å; Q183-L187 PolarHBondContact O-N 3.34Å
184	A	60.3	Low	60.4	Low	10 Å²	10	71.4 Å²	71.4	8%	0.083	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-39.4	176.9	0	0	0	0	0	111.5	C180 Y181 L187 V188 A208	C180-A184 WeakPolarHBondContact O-CB 3.38Å; C180-A184 PolarHBondContact O-N 3.07Å; Y181-A184 PolarHBondContact O-N 3.22Å; A184-L187 PolarHBondContact O-N 2.99Å; A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 WeakPolarHBondContact O-CG2 3.39Å; A184-V188 PolarHBondContact O-N 3.18Å; A184-A208 HydrophobicContact CB-CB 4.33Å
185	K	57.6	Low	59.8	Low	92 Å²	92	72.9 Å²	72.9	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-42.1	177.1	-175.4	177.5	177.9	-178.7	0	111.4	Y181 D182 V188 L189	Y181-K185 HydrophobicContact CE1-CD 3.98Å; Y181-K185 WeakPolarHBondContact O-CB 3.44Å; Y181-K185 PolarHBondContact O-N 3.14Å; D182-K185 PolarHBondContact O-N 2.83Å; K185-V188 PolarHBondContact O-N 3.27Å; K185-L189 HydrophobicContact CD-CD1 4.42Å; K185-L189 HydrophobicContact CG-CD1 3.78Å; K185-L189 HydrophobicContact CG-CG 4.3Å; K185-L189 WeakPolarHBondContact O-CB 3.4Å; K185-L189 VanDerWaalsContact O-CG 3.26Å; K185-L189 WeakPolarHBondContact O-CG 3.34Å; K185-L189 PolarHBondContact O-N 3.14Å
186	Q	61.7	Low	59	Low	109 Å²	109	76.9 Å²	76.9	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-41.8	175.6	-72.5	176.6	12.6	0	0	111.8	D182 Q183 G190	D182-Q186 WeakPolarHBondContact O-CB 3.49Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.35Å; D182-Q186 PolarHBondContact O-N 3.36Å; D182-Q186 PolarHBondContact OD2-NE2 3.21Å; Q183-Q186 PolarHBondContact O-N 3.06Å; Q186-G190 PolarHBondContact O-N 2.99Å
187	L	60.6	Low	58.6	Low	118 Å²	118	81.5 Å²	81.5	62%	0.618	47%	0.472	S	S	*	.	H	α-helix	trans	-66.1	-40.3	175.5	-78.5	162.7	0	0	0	113	Q183 A184 T191	Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 WeakPolarHBondContact O-CD1 3.32Å; Q183-L187 WeakPolarHBondContact O-CG 3.38Å; Q183-L187 PolarHBondContact O-N 3.34Å; A184-L187 PolarHBondContact O-N 2.99Å; L187-T191 WeakPolarHBondContact O-CG2 3.37Å; L187-T191 PolarHBondContact O-N 2.94Å; L187-T191 PolarHBondContact O-OG1 3.43Å
188	V	58.6	Low	58.5	Low	43 Å²	43	82.5 Å²	82.5	26%	0.261	48%	0.479	S	S	.	.	H	α-helix	trans	-72.9	-36.7	179.4	170.5	0	0	0	0	111.8	A184 K185 T191 T200	A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 WeakPolarHBondContact O-CG2 3.39Å; A184-V188 PolarHBondContact O-N 3.18Å; K185-V188 PolarHBondContact O-N 3.27Å; V188-T191 PolarHBondContact O-OG1 2.87Å; V188-T200 HydrophobicContact CG1-CG2 3.81Å
189	L	58.8	Low	58.3	Low	118 Å²	118	86.2 Å²	86.2	62%	0.618	50%	0.498	S	S	*	.	H	α-helix	trans	-74.4	-32.8	174.6	-69.3	172.4	0	0	0	112.1	K185 T191	K185-L189 HydrophobicContact CD-CD1 4.42Å; K185-L189 HydrophobicContact CG-CD1 3.78Å; K185-L189 HydrophobicContact CG-CG 4.3Å; K185-L189 WeakPolarHBondContact O-CB 3.4Å; K185-L189 VanDerWaalsContact O-CG 3.26Å; K185-L189 WeakPolarHBondContact O-CG 3.34Å; K185-L189 PolarHBondContact O-N 3.14Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 3.43Å
190	G	56.3	Low	58.2	Low	68 Å²	68	85.2 Å²	85.2	70%	0.701	49%	0.489	S	S	*	.	H	α-helix	trans	-74.6	-17.7	178.7	0	0	0	0	0	114.7	Q186	Q186-G190 PolarHBondContact O-N 2.99Å
191	T	57.6	Low	58.1	Low	92 Å²	92	88.5 Å²	88.5	56%	0.564	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.1	178.3	36.3	0	0	0	0	113	L187 V188 L189 V193	L187-T191 WeakPolarHBondContact O-CG2 3.37Å; L187-T191 PolarHBondContact O-N 2.94Å; L187-T191 PolarHBondContact O-OG1 3.43Å; V188-T191 PolarHBondContact O-OG1 2.87Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 3.43Å; T191-V193 WeakPolarHBondContact O-CG2 3.26Å; T191-V193 PolarHBondContact O-N 3.45Å
192	G	51.5	Low	58.2	Low	71 Å²	71	87 Å²	87	73%	0.732	50%	0.498	S	S	*	.			trans	63.6	0.5	174.8	0	0	0	0	0	116.3
193	V	53.5	Low	58.4	Low	120 Å²	120	88.9 Å²	88.9	73%	0.727	51%	0.507	S	S	*	.	S	Bend	trans	-84.2	-17.7	-170.1	-176.1	0	0	0	0	113.5	T191	T191-V193 WeakPolarHBondContact O-CG2 3.26Å; T191-V193 PolarHBondContact O-N 3.45Å
194	M	46.3	Very low	58.3	Low	111 Å²	111	84 Å²	84	55%	0.547	49%	0.487	S	S	.	.			trans	-139.3	124.3	-179.2	-65.9	-169.4	175.2	0	0	112.2	T200	M194-T200 HydrophobicContact CB-CG2 3.85Å; M194-T200 WeakPolarHBondContact CB-OG1 3.34Å
195	G	55.9	Low	58.5	Low	52 Å²	52	86 Å²	86	54%	0.536	50%	0.5	S	S	.	.			trans	-63.2	-179.1	169.1	0	0	0	0	0	113	N197 T200	G195-N197 PolarHBondContact O-N 2.9Å; G195-T200 PolarHBondContact O-OG1 3.1Å
196	D	52.5	Low	59	Low	131 Å²	131	85.7 Å²	85.7	70%	0.701	50%	0.499	S	S	*	.	S	Bend	trans	-68.3	55.9	-178.2	-128.3	17.4	0	0	0	112.2	H201	D196-H201 IonicContact OD1-CE1 3.28Å; D196-H201 PolarHBondContact OD1-CE1 3.39Å; D196-H201 IonicContact OD1-NE2 3.99Å; D196-H201 PolarHBondContact OD1-NE2 3.28Å
197	N	58.2	Low	59.3	Low	108 Å²	108	84.3 Å²	84.3	58%	0.578	49%	0.494	S	S	*	.			trans	-95	151.4	-179.5	-81.5	-19.6	0	0	0	110.9	G195 L199 T200 H201	G195-N197 PolarHBondContact O-N 2.9Å; N197-L199 PolarHBondContact O-N 3.34Å; N197-T200 WeakPolarHBondContact O-CB 3.48Å; N197-T200 PolarHBondContact O-N 2.92Å; N197-H201 PolarHBondContact O-CD2 3.42Å; N197-H201 PolarHBondContact O-N 2.92Å; N197-H201 VanDerWaalsContact O-N 3.13Å
198	I	60.3	Low	59.3	Low	122 Å²	122	79.1 Å²	79.1	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-54.5	-37.4	177	-72	168.2	0	0	0	111.5	H201 F202	I198-H201 PolarHBondContact O-N 3.34Å; I198-F202 WeakPolarHBondContact O-CB 3.43Å; I198-F202 PolarHBondContact O-N 3.01Å
199	L	60.2	Low	59.6	Low	130 Å²	130	78 Å²	78	68%	0.681	47%	0.465	S	S	*	.	H	α-helix	trans	-66.4	-34.6	176.6	-69.9	174.8	0	0	0	113.1	N197 F202 L203	N197-L199 PolarHBondContact O-N 3.34Å; L199-F202 WeakPolarHBondContact O-CB 3.19Å; L199-F202 PolarHBondContact O-N 3.28Å; L199-L203 WeakPolarHBondContact O-CB 3.42Å; L199-L203 PolarHBondContact O-N 2.89Å
200	T	63.5	Low	60.2	Low	13 Å²	13	74 Å²	74	8%	0.08	45%	0.453	C	S	.	.	H	α-helix	trans	-68.1	-44.4	175.6	-42.7	0	0	0	0	110.7	V188 M194 G195 N197 F202 S204	V188-T200 HydrophobicContact CG1-CG2 3.81Å; M194-T200 HydrophobicContact CB-CG2 3.85Å; M194-T200 WeakPolarHBondContact CB-OG1 3.34Å; G195-T200 PolarHBondContact O-OG1 3.1Å; N197-T200 WeakPolarHBondContact O-CB 3.48Å; N197-T200 PolarHBondContact O-N 2.92Å; T200-F202 VanDerWaalsContact C-N 3.27Å; T200-F202 PolarHBondContact O-N 3.25Å; T200-S204 VanDerWaalsContact O-CB 3.23Å; T200-S204 WeakPolarHBondContact O-CB 3.2Å; T200-S204 PolarHBondContact O-N 3.08Å; T200-S204 PolarHBondContact O-OG 3.43Å
201	H	61	Low	60.7	Low	87 Å²	87	73.6 Å²	73.6	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-34.1	173.4	-67.4	-57.5	0	0	0	112.1	D196 N197 I198 S204 S205	D196-H201 IonicContact OD1-CE1 3.28Å; D196-H201 PolarHBondContact OD1-CE1 3.39Å; D196-H201 IonicContact OD1-NE2 3.99Å; D196-H201 PolarHBondContact OD1-NE2 3.28Å; N197-H201 PolarHBondContact O-CD2 3.42Å; N197-H201 PolarHBondContact O-N 2.92Å; N197-H201 VanDerWaalsContact O-N 3.13Å; I198-H201 PolarHBondContact O-N 3.34Å; H201-S204 VanDerWaalsContact CA-OG 3.31Å; H201-S204 WeakPolarHBondContact CA-OG 3.22Å; H201-S204 PolarHBondContact O-OG 3.29Å; H201-S204 VanDerWaalsContact O-OG 3.07Å; H201-S205 WeakPolarHBondContact O-CB 3.42Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 3.13Å
202	F	64.8	Low	60.9	Low	70 Å²	70	69.5 Å²	69.5	31%	0.307	41%	0.414	S	S	.	.	H	α-helix	trans	-68.2	-52.3	176.1	177.1	-95.1	0	0	0	111.8	I198 L199 T200 S204 S205 F206 F270	I198-F202 WeakPolarHBondContact O-CB 3.43Å; I198-F202 PolarHBondContact O-N 3.01Å; L199-F202 WeakPolarHBondContact O-CB 3.19Å; L199-F202 PolarHBondContact O-N 3.28Å; T200-F202 VanDerWaalsContact C-N 3.27Å; T200-F202 PolarHBondContact O-N 3.25Å; F202-S204 PolarHBondContact O-N 3.44Å; F202-S205 PolarHBondContact O-N 3.44Å; F202-F206 WeakPolarHBondContact O-CB 3.15Å; F202-F206 PolarHBondContact O-N 3.25Å; F202-F270 HydrophobicContact CD2-CD2 4.15Å; F202-F270 HydrophobicContact CD2-CE2 4.38Å; F202-F270 HydrophobicContact CD2-CG 4.35Å; F202-F270 HydrophobicContact CE2-CD2 4.03Å; F202-F270 HydrophobicContact CE2-CG 4.4Å
203	L	65.1	Low	61.7	Low	85 Å²	85	67.6 Å²	67.6	45%	0.445	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-41.1	-178.3	-165.3	68.8	0	0	0	111	L199 F206 I207	L199-L203 WeakPolarHBondContact O-CB 3.42Å; L199-L203 PolarHBondContact O-N 2.89Å; L203-F206 PolarHBondContact O-N 3.33Å; L203-I207 HydrophobicContact CG-CD1 4.04Å; L203-I207 WeakPolarHBondContact O-CB 3.38Å; L203-I207 VanDerWaalsContact O-CG1 3.24Å; L203-I207 WeakPolarHBondContact O-CG1 3.48Å; L203-I207 PolarHBondContact O-N 3.26Å
204	S	60.8	Low	62.6	Low	15 Å²	15	66.7 Å²	66.7	11%	0.105	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-39.9	173.5	58.4	0	0	0	0	112.5	T200 H201 F202 F206 A208	T200-S204 VanDerWaalsContact O-CB 3.23Å; T200-S204 WeakPolarHBondContact O-CB 3.2Å; T200-S204 PolarHBondContact O-N 3.08Å; T200-S204 PolarHBondContact O-OG 3.43Å; H201-S204 VanDerWaalsContact CA-OG 3.31Å; H201-S204 WeakPolarHBondContact CA-OG 3.22Å; H201-S204 PolarHBondContact O-OG 3.29Å; H201-S204 VanDerWaalsContact O-OG 3.07Å; F202-S204 PolarHBondContact O-N 3.44Å; S204-F206 VanDerWaalsContact C-N 3.34Å; S204-A208 WeakPolarHBondContact O-CB 3.31Å; S204-A208 PolarHBondContact O-N 3.36Å
205	S	62.9	Low	63.6	Low	52 Å²	52	65.6 Å²	65.6	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-35.6	174.9	-62.6	0	0	0	0	112.3	H201 F202 G209	H201-S205 WeakPolarHBondContact O-CB 3.42Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 3.13Å; F202-S205 PolarHBondContact O-N 3.44Å; S205-G209 PolarHBondContact O-N 2.9Å
206	F	68.9	Low	64	Low	85 Å²	85	63.8 Å²	63.8	37%	0.373	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-47.2	177.1	-171.7	-97.1	0	0	0	111.5	F202 L203 S204 G209 G210 V263	F202-F206 WeakPolarHBondContact O-CB 3.15Å; F202-F206 PolarHBondContact O-N 3.25Å; L203-F206 PolarHBondContact O-N 3.33Å; S204-F206 VanDerWaalsContact C-N 3.34Å; F206-G209 PolarHBondContact O-N 3.27Å; F206-G210 PolarHBondContact O-N 3.47Å; F206-V263 HydrophobicContact CE2-CG1 4.41Å; F206-V263 HydrophobicContact CE2-CG2 3.86Å; F206-V263 HydrophobicContact CZ-CG2 3.87Å
207	I	67.3	Low	64.9	Low	80 Å²	80	58 Å²	58	41%	0.41	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-45.8	176.2	-66.9	166.7	0	0	0	110.1	L203 G209 G210 C211	L203-I207 HydrophobicContact CG-CD1 4.04Å; L203-I207 WeakPolarHBondContact O-CB 3.38Å; L203-I207 VanDerWaalsContact O-CG1 3.24Å; L203-I207 WeakPolarHBondContact O-CG1 3.48Å; L203-I207 PolarHBondContact O-N 3.26Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 3.13Å; I207-G210 PolarHBondContact O-N 3.31Å; I207-C211 PolarHBondContact O-N 2.95Å; I207-C211 PolarHBondContact O-SG 3.47Å
208	A	62.4	Low	65.2	Low	9 Å²	9	54.3 Å²	54.3	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.8	0	0	0	0	0	111.8	Y181 A184 S204 A212	Y181-A208 HydrophobicContact CD2-CB 4.34Å; A184-A208 HydrophobicContact CB-CB 4.33Å; S204-A208 WeakPolarHBondContact O-CB 3.31Å; S204-A208 PolarHBondContact O-N 3.36Å; A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 2.9Å
209	G	64.8	Low	65.5	Low	19 Å²	19	51.7 Å²	51.7	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-40.3	174.6	0	0	0	0	0	113	S205 F206 I207 T213	S205-G209 PolarHBondContact O-N 2.9Å; F206-G209 PolarHBondContact O-N 3.27Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 3.13Å; G209-T213 WeakPolarHBondContact O-CB 3.49Å; G209-T213 PolarHBondContact O-N 2.88Å; G209-T213 PolarHBondContact O-OG1 2.7Å
210	G	69.9	Low	65.8	Low	35 Å²	35	47.1 Å²	47.1	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-49.6	174.3	0	0	0	0	0	112.4	F206 I207 T213 F214	F206-G210 PolarHBondContact O-N 3.47Å; I207-G210 PolarHBondContact O-N 3.31Å; G210-T213 WeakPolarHBondContact O-CB 3.16Å; G210-T213 PolarHBondContact O-N 3.18Å; G210-F214 WeakPolarHBondContact O-CB 3.38Å; G210-F214 PolarHBondContact O-N 3.31Å
211	C	67	Low	66	Low	58 Å²	58	47 Å²	47	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-43.6	175.4	-71.5	0	0	0	0	112	C180 I207 T213 F214 L215	C180-C211 HydrophobicContact CB-CB 4.06Å; I207-C211 PolarHBondContact O-N 2.95Å; I207-C211 PolarHBondContact O-SG 3.47Å; C211-T213 VanDerWaalsContact C-N 3.31Å; C211-T213 PolarHBondContact O-N 3.43Å; C211-F214 WeakPolarHBondContact O-CB 3.08Å; C211-F214 PolarHBondContact O-N 2.95Å; C211-L215 PolarHBondContact O-N 3.41Å
212	A	63.2	Low	66.2	Low	6 Å²	6	43.5 Å²	43.5	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-41	175.6	0	0	0	0	0	111.5	Q177 A208 L215 C216	Q177-A212 HydrophobicContact CG-CB 3.69Å; A208-A212 WeakPolarHBondContact O-CB 3.34Å; A208-A212 PolarHBondContact O-N 2.9Å; A212-L215 PolarHBondContact O-N 3.46Å; A212-C216 VanDerWaalsContact O-CB 3.26Å; A212-C216 WeakPolarHBondContact O-CB 3.08Å; A212-C216 PolarHBondContact O-N 3.44Å; A212-C216 PolarHBondContact O-SG 3.4Å
213	T	67.6	Low	66	Low	32 Å²	32	41.6 Å²	41.6	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-42.8	175.4	-56.6	0	0	0	0	110.8	G209 G210 C211 C216 Q217 L255 A258	G209-T213 WeakPolarHBondContact O-CB 3.49Å; G209-T213 PolarHBondContact O-N 2.88Å; G209-T213 PolarHBondContact O-OG1 2.7Å; G210-T213 WeakPolarHBondContact O-CB 3.16Å; G210-T213 PolarHBondContact O-N 3.18Å; C211-T213 VanDerWaalsContact C-N 3.31Å; C211-T213 PolarHBondContact O-N 3.43Å; T213-C216 PolarHBondContact O-N 3.04Å; T213-Q217 VanDerWaalsContact O-CB 3.31Å; T213-Q217 WeakPolarHBondContact O-CB 3.02Å; T213-Q217 PolarHBondContact O-N 3.11Å; T213-L255 HydrophobicContact CG2-CD1 4.23Å; T213-A258 HydrophobicContact CG2-CB 4.26Å
214	F	71.6	Confident	65.9	Low	100 Å²	100	41.1 Å²	41.1	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-44.7	177.6	-171.7	-97.9	0	0	0	112.2	G210 C211 Y252 L255	G210-F214 WeakPolarHBondContact O-CB 3.38Å; G210-F214 PolarHBondContact O-N 3.31Å; C211-F214 WeakPolarHBondContact O-CB 3.08Å; C211-F214 PolarHBondContact O-N 2.95Å; F214-Y252 HydrophobicContact CD1-CE1 4.3Å; F214-Y252 HydrophobicContact CD2-CD1 4.21Å; F214-Y252 AromaticContact CD2-CE1 3.85Å; F214-Y252 HydrophobicContact CD2-CE1 3.85Å; F214-Y252 AromaticContact CE1-CE1 3.97Å; F214-Y252 HydrophobicContact CE1-CE1 3.97Å; F214-Y252 AromaticContact CE2-CD1 3.86Å; F214-Y252 HydrophobicContact CE2-CD1 3.86Å; F214-Y252 AromaticContact CE2-CE1 3.48Å; F214-Y252 HydrophobicContact CE2-CE1 3.48Å; F214-Y252 VanDerWaalsContact CE2-CE1 3.48Å; F214-Y252 HydrophobicContact CG-CE1 4.25Å; F214-Y252 HydrophobicContact CZ-CD1 4.32Å; F214-Y252 AromaticContact CZ-CE1 3.54Å; F214-Y252 HydrophobicContact CZ-CE1 3.54Å; F214-Y252 AromaticContact CZ-CZ 3.82Å; F214-L255 HydrophobicContact CD2-CD1 4.48Å; F214-L255 HydrophobicContact CD2-CD2 3.96Å; F214-L255 HydrophobicContact CE2-CD2 4.32Å
215	L	67.2	Low	66	Low	89 Å²	89	43.3 Å²	43.3	47%	0.466	25%	0.245	S	C	.	.	H	α-helix	trans	-68.2	-35.4	176.2	-69.2	-169.9	0	0	0	113.1	C180 C211 A212 P218	C180-L215 WeakPolarHBondContact SG-CD1 3.43Å; C211-L215 PolarHBondContact O-N 3.41Å; A212-L215 PolarHBondContact O-N 3.46Å; L215-P218 WeakPolarHBondContact O-CD 3.33Å; L215-P218 WeakPolarHBondContact O-CG 3.49Å
216	C	65.6	Low	66	Low	13 Å²	13	42.7 Å²	42.7	9%	0.088	24%	0.237	C	C	.	.	H	α-helix	trans	-83.9	-19	-178.2	-63.9	0	0	0	0	113.3	A212 T213 L219 D220	A212-C216 VanDerWaalsContact O-CB 3.26Å; A212-C216 WeakPolarHBondContact O-CB 3.08Å; A212-C216 PolarHBondContact O-N 3.44Å; A212-C216 PolarHBondContact O-SG 3.4Å; T213-C216 PolarHBondContact O-N 3.04Å; C216-L219 WeakPolarHBondContact O-CB 3.36Å; C216-L219 PolarHBondContact O-N 2.92Å; C216-L219 VanDerWaalsContact O-N 3.13Å; C216-D220 PolarHBondContact O-N 3.14Å
217	Q	70.6	Confident	65.2	Low	10 Å²	10	44.1 Å²	44.1	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-50.9	-49.2	-179.1	-173.3	65.1	21.3	0	0	114.5	T213 L219 D220 V221 Y252 K253 L255	T213-Q217 VanDerWaalsContact O-CB 3.31Å; T213-Q217 WeakPolarHBondContact O-CB 3.02Å; T213-Q217 PolarHBondContact O-N 3.11Å; Q217-L219 VanDerWaalsContact C-N 3.26Å; Q217-L219 PolarHBondContact O-N 3.27Å; Q217-D220 PolarHBondContact O-N 3.13Å; Q217-V221 WeakPolarHBondContact O-CG2 3.19Å; Q217-V221 PolarHBondContact O-N 2.87Å; Q217-Y252 HydrophobicContact CB-CD1 4.29Å; Q217-Y252 HydrophobicContact CG-CD1 4.1Å; Q217-K253 PolarHBondContact NE2-O 2.96Å; Q217-L255 HydrophobicContact CB-CD1 4.05Å; Q217-L255 HydrophobicContact CG-CB 4.22Å; Q217-L255 HydrophobicContact CG-CD1 3.92Å; Q217-L255 VanDerWaalsContact NE2-N 3.15Å
218	P	65.3	Low	64.7	Low	30 Å²	30	44 Å²	44	20%	0.195	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-38.9	178.5	19.6	-33.5	0	0	0	112.9	L215 V221 L222 F251	L215-P218 WeakPolarHBondContact O-CD 3.33Å; L215-P218 WeakPolarHBondContact O-CG 3.49Å; P218-V221 PolarHBondContact O-N 2.9Å; P218-L222 WeakPolarHBondContact O-CG 3.3Å; P218-L222 PolarHBondContact O-N 3.24Å; P218-L222 VanDerWaalsContact O-N 3.12Å; P218-F251 HydrophobicContact CB-CB 4.03Å; P218-F251 HydrophobicContact CB-CD1 4.04Å; P218-F251 HydrophobicContact CB-CG 4.37Å
219	L	66.5	Low	64.3	Low	68 Å²	68	44.7 Å²	44.7	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-71.8	-37.7	-179.9	-66.1	162.6	0	0	0	111.6	L172 C216 Q217 V221 L222 K223	L172-L219 HydrophobicContact CB-CD1 3.93Å; L172-L219 HydrophobicContact CD1-CD1 3.67Å; L172-L219 HydrophobicContact CD1-CD2 3.92Å; L172-L219 HydrophobicContact CD1-CG 4.29Å; L172-L219 HydrophobicContact CD2-CD1 4.12Å; L172-L219 HydrophobicContact CG-CD1 4.11Å; C216-L219 WeakPolarHBondContact O-CB 3.36Å; C216-L219 PolarHBondContact O-N 2.92Å; C216-L219 VanDerWaalsContact O-N 3.13Å; Q217-L219 VanDerWaalsContact C-N 3.26Å; Q217-L219 PolarHBondContact O-N 3.27Å; L219-V221 VanDerWaalsContact C-N 3.35Å; L219-L222 PolarHBondContact O-N 3.47Å; L219-K223 WeakPolarHBondContact O-CB 3.35Å; L219-K223 PolarHBondContact O-N 2.85Å
220	D	66.4	Low	63.6	Low	34 Å²	34	52.7 Å²	52.7	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-37.2	176.3	-82	7.9	0	0	0	112.1	R169 C216 Q217 T224	R169-D220 IonicContact CZ-OD1 3.91Å; R169-D220 IonicContact CZ-OD2 3.69Å; R169-D220 VanDerWaalsContact CZ-OD2 3.28Å; R169-D220 IonicContact NE-OD1 3.17Å; R169-D220 IonicContact NH1-OD1 3.4Å; R169-D220 PolarHBondContact NH1-OD1 3.42Å; R169-D220 IonicContact NH1-OD2 2.68Å; R169-D220 PolarHBondContact NH1-OD2 3.34Å; R169-D220 IonicContact NH2-OD1 3.49Å; R169-D220 IonicContact NH2-OD2 3.49Å; R169-D220 PolarHBondContact NH2-OD2 2.91Å; C216-D220 PolarHBondContact O-N 3.14Å; Q217-D220 PolarHBondContact O-N 3.13Å; D220-T224 WeakPolarHBondContact O-CB 3.49Å; D220-T224 WeakPolarHBondContact O-CG2 3.39Å; D220-T224 PolarHBondContact O-N 3.49Å; D220-T224 PolarHBondContact O-OG1 3.37Å
221	V	66.5	Low	63.1	Low	11 Å²	11	54 Å²	54	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-43.4	173.3	173.3	0	0	0	0	111.4	Q217 P218 L219 K223 T224 R225 F251 K253	Q217-V221 WeakPolarHBondContact O-CG2 3.19Å; Q217-V221 PolarHBondContact O-N 2.87Å; P218-V221 PolarHBondContact O-N 2.9Å; L219-V221 VanDerWaalsContact C-N 3.35Å; V221-K223 PolarHBondContact O-N 2.7Å; V221-T224 WeakPolarHBondContact CA-OG1 3.3Å; V221-T224 PolarHBondContact O-N 2.83Å; V221-T224 PolarHBondContact O-OG1 3.28Å; V221-R225 HydrophobicContact CG1-CG 4.47Å; V221-R225 WeakPolarHBondContact O-CG 3.47Å; V221-R225 PolarHBondContact O-N 3.13Å; V221-F251 VanDerWaalsContact CG2-O 3.22Å; V221-F251 WeakPolarHBondContact CG2-O 3.38Å; V221-K253 WeakPolarHBondContact CG2-O 3.49Å
222	L	65.3	Low	62.6	Low	12 Å²	12	58.3 Å²	58.3	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-43.5	177.7	-70.8	171.2	0	0	0	111.8	P218 L219 R225 L226 C239 L240 T243 F251	P218-L222 WeakPolarHBondContact O-CG 3.3Å; P218-L222 PolarHBondContact O-N 3.24Å; P218-L222 VanDerWaalsContact O-N 3.12Å; L219-L222 PolarHBondContact O-N 3.47Å; L222-R225 PolarHBondContact O-N 2.93Å; L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.42Å; L222-C239 HydrophobicContact CD2-CB 4.49Å; L222-L240 HydrophobicContact CD1-CB 4.3Å; L222-L240 HydrophobicContact CD1-CD1 3.86Å; L222-L240 HydrophobicContact CD1-CG 4.06Å; L222-L240 HydrophobicContact CD2-CB 4.14Å; L222-T243 HydrophobicContact CD2-CG2 4.47Å; L222-F251 HydrophobicContact CD1-CE1 4.26Å; L222-F251 HydrophobicContact CD2-CE1 4.06Å; L222-F251 HydrophobicContact CG-CE1 4.23Å
223	K	61.8	Low	62.5	Low	31 Å²	31	59.9 Å²	59.9	14%	0.135	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-47.4	176.2	177.5	175	179.4	172.6	0	111.7	M165 R169 L219 V221 L226 M227	M165-K223 HydrophobicContact CE-CB 3.84Å; M165-K223 HydrophobicContact CE-CD 4.48Å; M165-K223 HydrophobicContact CE-CG 3.78Å; M165-K223 PolarHBondContact O-NZ 3.46Å; R169-K223 HydrophobicContact CB-CD 4.45Å; L219-K223 WeakPolarHBondContact O-CB 3.35Å; L219-K223 PolarHBondContact O-N 2.85Å; V221-K223 PolarHBondContact O-N 2.7Å; K223-L226 PolarHBondContact O-N 3.25Å; K223-M227 HydrophobicContact CD-SD 4.23Å; K223-M227 WeakPolarHBondContact CE-SD 3.48Å; K223-M227 HydrophobicContact CG-CG 4.3Å; K223-M227 HydrophobicContact CG-SD 3.77Å; K223-M227 WeakPolarHBondContact O-CB 3.31Å; K223-M227 VanDerWaalsContact O-CG 3.31Å; K223-M227 WeakPolarHBondContact O-CG 3.38Å; K223-M227 PolarHBondContact O-N 3.44Å
224	T	61.3	Low	62.1	Low	75 Å²	75	64.6 Å²	64.6	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-65.6	-39.5	-178.1	46.7	0	0	0	0	112	D220 V221 M227 N228	D220-T224 WeakPolarHBondContact O-CB 3.49Å; D220-T224 WeakPolarHBondContact O-CG2 3.39Å; D220-T224 PolarHBondContact O-N 3.49Å; D220-T224 PolarHBondContact O-OG1 3.37Å; V221-T224 WeakPolarHBondContact CA-OG1 3.3Å; V221-T224 PolarHBondContact O-N 2.83Å; V221-T224 PolarHBondContact O-OG1 3.28Å; T224-M227 PolarHBondContact O-N 2.92Å; T224-N228 VanDerWaalsContact O-CB 3.25Å; T224-N228 WeakPolarHBondContact O-CB 3.2Å; T224-N228 PolarHBondContact O-N 3.19Å
225	R	64.8	Low	61.9	Low	60 Å²	60	61.1 Å²	61.1	23%	0.226	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-43.5	173.6	-72.8	-175.5	-179.2	-137.5	6.6	112.8	V221 L222 N228 S229 Y233	V221-R225 HydrophobicContact CG1-CG 4.47Å; V221-R225 WeakPolarHBondContact O-CG 3.47Å; V221-R225 PolarHBondContact O-N 3.13Å; L222-R225 PolarHBondContact O-N 2.93Å; R225-N228 PolarHBondContact O-N 2.89Å; R225-S229 WeakPolarHBondContact O-CB 3.39Å; R225-S229 PolarHBondContact O-N 3.46Å; R225-Y233 HydrophobicContact CB-CE2 4.39Å
226	L	62.2	Low	61.8	Low	40 Å²	40	60.5 Å²	60.5	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-70.5	-31.5	-180	-167.2	126.4	0	0	0	112.9	M165 L222 K223 S229 V236 C239	M165-L226 HydrophobicContact CE-CD2 4.15Å; M165-L226 HydrophobicContact CG-CD2 4.43Å; M165-L226 HydrophobicContact SD-CD2 4.13Å; L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.42Å; K223-L226 PolarHBondContact O-N 3.25Å; L226-S229 PolarHBondContact O-OG 2.93Å; L226-V236 HydrophobicContact CD1-CB 4.49Å; L226-V236 HydrophobicContact CD1-CG2 4.04Å; L226-C239 HydrophobicContact CD1-CB 4.26Å
227	M	52.9	Low	62	Low	114 Å²	114	67.1 Å²	67.1	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-79	-27.2	175.7	-73	-178.1	73.5	0	0	113.3	K223 T224	K223-M227 HydrophobicContact CD-SD 4.23Å; K223-M227 WeakPolarHBondContact CE-SD 3.48Å; K223-M227 HydrophobicContact CG-CG 4.3Å; K223-M227 HydrophobicContact CG-SD 3.77Å; K223-M227 WeakPolarHBondContact O-CB 3.31Å; K223-M227 VanDerWaalsContact O-CG 3.31Å; K223-M227 WeakPolarHBondContact O-CG 3.38Å; K223-M227 PolarHBondContact O-N 3.44Å; T224-M227 PolarHBondContact O-N 2.92Å
228	N	55.9	Low	62.2	Low	77 Å²	77	70.2 Å²	70.2	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-93.7	-8.9	-179.4	-159.1	41.1	0	0	0	113.1	T224 R225	T224-N228 VanDerWaalsContact O-CB 3.25Å; T224-N228 WeakPolarHBondContact O-CB 3.2Å; T224-N228 PolarHBondContact O-N 3.19Å; R225-N228 PolarHBondContact O-N 2.89Å
229	S	53.5	Low	62.2	Low	24 Å²	24	68.8 Å²	68.8	17%	0.168	37%	0.371	C	S	.	.			trans	-76.2	131	175.8	63	0	0	0	0	110.9	R225 L226 G231 Y233	R225-S229 WeakPolarHBondContact O-CB 3.39Å; R225-S229 PolarHBondContact O-N 3.46Å; L226-S229 PolarHBondContact O-OG 2.93Å; S229-G231 PolarHBondContact O-N 3.06Å; S229-Y233 VanDerWaalsContact CB-CD2 3.45Å
230	K	51.1	Low	62.6	Low	188 Å²	188	69 Å²	69	82%	0.817	37%	0.372	S	S	*	.	S	Bend	trans	-84.3	47.8	174.4	-64.5	-178.9	179.5	176.9	0	110.8
231	G	58.4	Low	63.1	Low	63 Å²	63	76 Å²	76	65%	0.649	40%	0.396	S	S	*	.	S	Bend	trans	92.1	6	-179.2	0	0	0	0	0	116.2	S229 Y233	S229-G231 PolarHBondContact O-N 3.06Å; G231-Y233 PolarHBondContact O-N 3.06Å
232	E	58	Low	63.4	Low	148 Å²	148	79 Å²	79	69%	0.692	41%	0.409	S	S	*	.			trans	-70.5	-18.6	177.3	-65.5	173.7	155.6	0	0	113.4
233	Y	60.1	Low	63.7	Low	39 Å²	39	78.4 Å²	78.4	15%	0.153	41%	0.406	C	S	.	.			trans	-112.8	116.1	177.6	-66.5	-64	0	0	0	110.6	R225 S229 G231 G235 H238 C239 E242	R225-Y233 HydrophobicContact CB-CE2 4.39Å; S229-Y233 VanDerWaalsContact CB-CD2 3.45Å; G231-Y233 PolarHBondContact O-N 3.06Å; Y233-G235 PolarHBondContact O-N 3.17Å; Y233-H238 AromaticContact CD1-ND1 3.72Å; Y233-C239 VanDerWaalsContact CD1-CA 3.47Å; Y233-C239 HydrophobicContact CD1-CB 3.67Å; Y233-C239 HydrophobicContact CD2-CB 4.38Å; Y233-C239 HydrophobicContact CE1-CB 4.12Å; Y233-C239 HydrophobicContact CG-CB 3.86Å; Y233-E242 HydrophobicContact CE1-CB 4Å; Y233-E242 HydrophobicContact CE1-CG 4.18Å; Y233-E242 WeakPolarHBondContact CE1-OE2 3.2Å; Y233-E242 PolarHBondContact OH-OE2 3.01Å
234	T	59.4	Low	64.4	Low	130 Å²	130	79.4 Å²	79.4	80%	0.798	42%	0.42	S	S	*	.	S	Bend	trans	-72.9	-15.7	176.1	51.6	0	0	0	0	113.2
235	G	67.3	Low	65.1	Low	27 Å²	27	83.8 Å²	83.8	28%	0.278	43%	0.433	S	S	.	.	S	Bend	trans	179.1	175.7	175.7	0	0	0	0	0	114.3	Y233 M237 H238 C239	Y233-G235 PolarHBondContact O-N 3.17Å; G235-M237 VanDerWaalsContact C-N 3.27Å; G235-M237 PolarHBondContact O-N 3.24Å; G235-H238 PolarHBondContact O-N 3.35Å; G235-C239 PolarHBondContact O-N 2.83Å
236	V	65.8	Low	65.5	Low	77 Å²	77	86.2 Å²	86.2	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-58.8	-39.7	-179	-177.3	0	0	0	0	111.3	M165 L226 C239 L240	M165-V236 HydrophobicContact SD-CG2 4.23Å; L226-V236 HydrophobicContact CD1-CB 4.49Å; L226-V236 HydrophobicContact CD1-CG2 4.04Å; V236-C239 PolarHBondContact O-N 2.98Å; V236-L240 VanDerWaalsContact O-CB 3.32Å; V236-L240 WeakPolarHBondContact O-CB 3.22Å; V236-L240 PolarHBondContact O-N 2.92Å
237	M	69.4	Low	66.1	Low	151 Å²	151	85.3 Å²	85.3	74%	0.744	45%	0.45	S	S	*	.	H	α-helix	trans	-69.6	-35.3	179.8	-159.8	64.3	82.8	0	0	112.6	G235 L240 R241	G235-M237 VanDerWaalsContact C-N 3.27Å; G235-M237 PolarHBondContact O-N 3.24Å; M237-L240 PolarHBondContact O-N 3.3Å; M237-R241 WeakPolarHBondContact O-CB 3.28Å; M237-R241 PolarHBondContact O-N 3.26Å
238	H	74.1	Confident	67.1	Low	75 Å²	75	84.8 Å²	84.8	35%	0.347	46%	0.455	S	S	.	.	H	α-helix	trans	-66.6	-45.9	174.5	-167.8	-104.7	0	0	0	110.8	Y233 G235 L240 R241 E242	Y233-H238 AromaticContact CD1-ND1 3.72Å; G235-H238 PolarHBondContact O-N 3.35Å; H238-L240 VanDerWaalsContact C-N 3.32Å; H238-L240 PolarHBondContact O-N 3.41Å; H238-R241 PolarHBondContact O-N 3.02Å; H238-E242 IonicContact CE1-OE1 2.7Å; H238-E242 PolarHBondContact O-N 3.44Å
239	C	66.5	Low	67.7	Low	0 Å²	0	88.2 Å²	88.2	0%	0	47%	0.472	C	S	.	.	H	α-helix	trans	-61.9	-39.2	175.6	-168.4	0	0	0	0	112.2	L222 L226 Y233 G235 V236 T243	L222-C239 HydrophobicContact CD2-CB 4.49Å; L226-C239 HydrophobicContact CD1-CB 4.26Å; Y233-C239 VanDerWaalsContact CD1-CA 3.47Å; Y233-C239 HydrophobicContact CD1-CB 3.67Å; Y233-C239 HydrophobicContact CD2-CB 4.38Å; Y233-C239 HydrophobicContact CE1-CB 4.12Å; Y233-C239 HydrophobicContact CG-CB 3.86Å; G235-C239 PolarHBondContact O-N 2.83Å; V236-C239 PolarHBondContact O-N 2.98Å; C239-T243 VanDerWaalsContact O-CB 3.22Å; C239-T243 WeakPolarHBondContact O-CB 3.32Å; C239-T243 PolarHBondContact O-N 2.86Å; C239-T243 PolarHBondContact O-OG1 3.15Å
240	L	73.4	Confident	68.4	Low	72 Å²	72	87.5 Å²	87.5	38%	0.377	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-45.4	176.8	-165.6	153.7	0	0	0	111.5	L222 V236 M237 H238 T243 A244	L222-L240 HydrophobicContact CD1-CB 4.3Å; L222-L240 HydrophobicContact CD1-CD1 3.86Å; L222-L240 HydrophobicContact CD1-CG 4.06Å; L222-L240 HydrophobicContact CD2-CB 4.14Å; V236-L240 VanDerWaalsContact O-CB 3.32Å; V236-L240 WeakPolarHBondContact O-CB 3.22Å; V236-L240 PolarHBondContact O-N 2.92Å; M237-L240 PolarHBondContact O-N 3.3Å; H238-L240 VanDerWaalsContact C-N 3.32Å; H238-L240 PolarHBondContact O-N 3.41Å; L240-T243 PolarHBondContact O-N 2.87Å; L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 3.39Å
241	R	76.6	Confident	69.1	Low	182 Å²	182	80.2 Å²	80.2	69%	0.687	44%	0.436	S	S	*	.	H	α-helix	trans	-64.9	-42.7	178.8	-161.4	177.9	-158.4	173.8	6.4	112.3	M237 H238 A244 K245	M237-R241 WeakPolarHBondContact O-CB 3.28Å; M237-R241 PolarHBondContact O-N 3.26Å; H238-R241 PolarHBondContact O-N 3.02Å; R241-A244 PolarHBondContact O-N 2.84Å; R241-K245 WeakPolarHBondContact O-CG 3.36Å; R241-K245 PolarHBondContact O-N 3.11Å; R241-K245 VanDerWaalsContact O-N 3.1Å
242	E	74.1	Confident	69.7	Low	73 Å²	73	81.2 Å²	81.2	34%	0.341	42%	0.421	S	S	.	.	H	α-helix	trans	-66.8	-40.8	174.3	-80.1	-154.7	174.8	0	0	112.8	Y233 H238 A244 K245 L246	Y233-E242 HydrophobicContact CE1-CB 4Å; Y233-E242 HydrophobicContact CE1-CG 4.18Å; Y233-E242 WeakPolarHBondContact CE1-OE2 3.2Å; Y233-E242 PolarHBondContact OH-OE2 3.01Å; H238-E242 IonicContact CE1-OE1 2.7Å; H238-E242 PolarHBondContact O-N 3.44Å; E242-A244 VanDerWaalsContact C-N 3.28Å; E242-A244 PolarHBondContact O-N 3.42Å; E242-K245 WeakPolarHBondContact O-CB 3.19Å; E242-K245 PolarHBondContact O-N 2.94Å; E242-L246 PolarHBondContact O-N 3.45Å
243	T	71.4	Confident	69.9	Low	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-35.4	177.7	-55.3	0	0	0	0	111	L222 C239 L240 L246 A250 F251	L222-T243 HydrophobicContact CD2-CG2 4.47Å; C239-T243 VanDerWaalsContact O-CB 3.22Å; C239-T243 WeakPolarHBondContact O-CB 3.32Å; C239-T243 PolarHBondContact O-N 2.86Å; C239-T243 PolarHBondContact O-OG1 3.15Å; L240-T243 PolarHBondContact O-N 2.87Å; T243-L246 PolarHBondContact O-N 3.37Å; T243-A250 HydrophobicContact CG2-CB 4.16Å; T243-F251 HydrophobicContact CG2-CD1 3.75Å; T243-F251 HydrophobicContact CG2-CD2 4.3Å; T243-F251 HydrophobicContact CG2-CE1 3.55Å; T243-F251 HydrophobicContact CG2-CE2 4.14Å; T243-F251 HydrophobicContact CG2-CG 4.12Å; T243-F251 HydrophobicContact CG2-CZ 3.76Å
244	A	76.2	Confident	70.1	Confident	52 Å²	52	81.2 Å²	81.2	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-37.3	173.1	0	0	0	0	0	112.8	L240 R241 E242 L246 G247 F251	L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 3.39Å; R241-A244 PolarHBondContact O-N 2.84Å; E242-A244 VanDerWaalsContact C-N 3.28Å; E242-A244 PolarHBondContact O-N 3.42Å; A244-L246 PolarHBondContact O-N 2.93Å; A244-G247 PolarHBondContact O-N 3.39Å; A244-G247 VanDerWaalsContact O-N 3.08Å; A244-F251 HydrophobicContact CB-CE2 4.21Å; A244-F251 HydrophobicContact CB-CZ 4.12Å
245	K	76.4	Confident	70.4	Confident	168 Å²	168	77.5 Å²	77.5	73%	0.73	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-28.2	174.5	-73	176.4	-179.1	-177.1	0	113.2	R241 E242 G247	R241-K245 WeakPolarHBondContact O-CG 3.36Å; R241-K245 PolarHBondContact O-N 3.11Å; R241-K245 VanDerWaalsContact O-N 3.1Å; E242-K245 WeakPolarHBondContact O-CB 3.19Å; E242-K245 PolarHBondContact O-N 2.94Å; K245-G247 PolarHBondContact O-N 3.33Å
246	L	72.5	Confident	70.3	Confident	111 Å²	111	81.1 Å²	81.1	58%	0.581	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.9	175.4	-65.8	166.5	0	0	0	113.4	E242 T243 A244 A250	E242-L246 PolarHBondContact O-N 3.45Å; T243-L246 PolarHBondContact O-N 3.37Å; A244-L246 PolarHBondContact O-N 2.93Å; L246-A250 HydrophobicContact CB-CB 3.88Å
247	G	75.7	Confident	70	Confident	21 Å²	21	80 Å²	80	22%	0.216	41%	0.413	C	S	.	.			trans	98.4	162	175.9	0	0	0	0	0	114.9	A244 K245 L249 A250	A244-G247 PolarHBondContact O-N 3.39Å; A244-G247 VanDerWaalsContact O-N 3.08Å; K245-G247 PolarHBondContact O-N 3.33Å; G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.94Å; G247-A250 WeakPolarHBondContact O-CB 3.36Å; G247-A250 PolarHBondContact O-N 3.03Å
248	P	72.8	Confident	69.8	Low	102 Å²	102	73.6 Å²	73.6	66%	0.662	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.3	-175.2	23.4	-32.8	0	0	0	113.4	A250 F251 Y252	P248-A250 PolarHBondContact O-N 3.37Å; P248-F251 PolarHBondContact O-N 3.24Å; P248-Y252 WeakPolarHBondContact O-CD2 3.17Å
249	L	70	Confident	69.3	Low	149 Å²	149	71.3 Å²	71.3	78%	0.78	38%	0.38	S	S	*	.	H	α-helix	trans	-65.1	-23.1	175.4	-71.9	162.7	0	0	0	112.7	G247 F251 Y252 K253	G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.94Å; L249-F251 VanDerWaalsContact C-N 3.27Å; L249-F251 PolarHBondContact O-N 3.45Å; L249-Y252 PolarHBondContact O-N 2.89Å; L249-K253 PolarHBondContact O-N 3.41Å; L249-K253 VanDerWaalsContact O-N 3.17Å
250	A	66.3	Low	69.3	Low	10 Å²	10	75.8 Å²	75.8	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-29.9	178	0	0	0	0	0	112.4	T243 L246 G247 P248 K253	T243-A250 HydrophobicContact CG2-CB 4.16Å; L246-A250 HydrophobicContact CB-CB 3.88Å; G247-A250 WeakPolarHBondContact O-CB 3.36Å; G247-A250 PolarHBondContact O-N 3.03Å; P248-A250 PolarHBondContact O-N 3.37Å; A250-K253 WeakPolarHBondContact O-CB 3.33Å
251	F	67.6	Low	68.9	Low	34 Å²	34	77.5 Å²	77.5	15%	0.149	41%	0.405	C	S	.	.	H	α-helix	trans	-74.5	-25.9	176.1	-68.6	-79.4	0	0	0	113.4	P218 V221 L222 T243 A244 P248 L249	P218-F251 HydrophobicContact CB-CB 4.03Å; P218-F251 HydrophobicContact CB-CD1 4.04Å; P218-F251 HydrophobicContact CB-CG 4.37Å; V221-F251 VanDerWaalsContact CG2-O 3.22Å; V221-F251 WeakPolarHBondContact CG2-O 3.38Å; L222-F251 HydrophobicContact CD1-CE1 4.26Å; L222-F251 HydrophobicContact CD2-CE1 4.06Å; L222-F251 HydrophobicContact CG-CE1 4.23Å; T243-F251 HydrophobicContact CG2-CD1 3.75Å; T243-F251 HydrophobicContact CG2-CD2 4.3Å; T243-F251 HydrophobicContact CG2-CE1 3.55Å; T243-F251 HydrophobicContact CG2-CE2 4.14Å; T243-F251 HydrophobicContact CG2-CG 4.12Å; T243-F251 HydrophobicContact CG2-CZ 3.76Å; A244-F251 HydrophobicContact CB-CE2 4.21Å; A244-F251 HydrophobicContact CB-CZ 4.12Å; P248-F251 PolarHBondContact O-N 3.24Å; L249-F251 VanDerWaalsContact C-N 3.27Å; L249-F251 PolarHBondContact O-N 3.45Å
252	Y	69.3	Low	68.3	Low	84 Å²	84	71.7 Å²	71.7	33%	0.329	39%	0.387	S	S	.	.	H	α-helix	trans	-97.3	1.4	178.1	-65.9	-82.6	0	0	0	113	F214 Q217 P248 L249 G254 L255	F214-Y252 HydrophobicContact CD1-CE1 4.3Å; F214-Y252 HydrophobicContact CD2-CD1 4.21Å; F214-Y252 AromaticContact CD2-CE1 3.85Å; F214-Y252 HydrophobicContact CD2-CE1 3.85Å; F214-Y252 AromaticContact CE1-CE1 3.97Å; F214-Y252 HydrophobicContact CE1-CE1 3.97Å; F214-Y252 AromaticContact CE2-CD1 3.86Å; F214-Y252 HydrophobicContact CE2-CD1 3.86Å; F214-Y252 AromaticContact CE2-CE1 3.48Å; F214-Y252 HydrophobicContact CE2-CE1 3.48Å; F214-Y252 VanDerWaalsContact CE2-CE1 3.48Å; F214-Y252 HydrophobicContact CG-CE1 4.25Å; F214-Y252 HydrophobicContact CZ-CD1 4.32Å; F214-Y252 AromaticContact CZ-CE1 3.54Å; F214-Y252 HydrophobicContact CZ-CE1 3.54Å; F214-Y252 AromaticContact CZ-CZ 3.82Å; Q217-Y252 HydrophobicContact CB-CD1 4.29Å; Q217-Y252 HydrophobicContact CG-CD1 4.1Å; P248-Y252 WeakPolarHBondContact O-CD2 3.17Å; L249-Y252 PolarHBondContact O-N 2.89Å; Y252-G254 PolarHBondContact O-N 2.59Å; Y252-L255 WeakPolarHBondContact O-CB 3.24Å; Y252-L255 PolarHBondContact O-N 2.84Å
253	K	63.1	Low	68	Low	162 Å²	162	71 Å²	71	70%	0.704	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	112.7	175.1	-161.3	171.9	-176.7	176.5	0	109.1	Q217 V221 L249 A250	Q217-K253 PolarHBondContact NE2-O 2.96Å; V221-K253 WeakPolarHBondContact CG2-O 3.49Å; L249-K253 PolarHBondContact O-N 3.41Å; L249-K253 VanDerWaalsContact O-N 3.17Å; A250-K253 WeakPolarHBondContact O-CB 3.33Å
254	G	63.4	Low	67.8	Low	25 Å²	25	73.2 Å²	73.2	26%	0.258	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	-1.9	-176.5	0	0	0	0	0	115.6	Y252 V256 P257 A258	Y252-G254 PolarHBondContact O-N 2.59Å; G254-V256 VanDerWaalsContact C-N 3.35Å; G254-V256 PolarHBondContact O-N 3.31Å; G254-P257 WeakPolarHBondContact O-CD 2.88Å; G254-A258 WeakPolarHBondContact O-CB 3.24Å; G254-A258 PolarHBondContact O-N 2.84Å
255	L	66.3	Low	67.4	Low	52 Å²	52	73 Å²	73	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-42.6	177.2	-173.2	73.4	0	0	0	111.8	T213 F214 Q217 Y252 A258 G259	T213-L255 HydrophobicContact CG2-CD1 4.23Å; F214-L255 HydrophobicContact CD2-CD1 4.48Å; F214-L255 HydrophobicContact CD2-CD2 3.96Å; F214-L255 HydrophobicContact CE2-CD2 4.32Å; Q217-L255 HydrophobicContact CB-CD1 4.05Å; Q217-L255 HydrophobicContact CG-CB 4.22Å; Q217-L255 HydrophobicContact CG-CD1 3.92Å; Q217-L255 VanDerWaalsContact NE2-N 3.15Å; Y252-L255 WeakPolarHBondContact O-CB 3.24Å; Y252-L255 PolarHBondContact O-N 2.84Å; L255-A258 WeakPolarHBondContact O-CA 3.39Å; L255-A258 WeakPolarHBondContact O-CB 3.34Å; L255-A258 PolarHBondContact O-N 3Å; L255-A258 VanDerWaalsContact O-N 3.13Å; L255-G259 PolarHBondContact O-N 3.33Å
256	V	64.5	Low	66.9	Low	103 Å²	103	66.5 Å²	66.5	62%	0.624	37%	0.367	S	S	*	.	H	α-helix	trans	-62.5	-51.2	178	172.9	0	0	0	0	111.6	G254 A258 G259 I260	G254-V256 VanDerWaalsContact C-N 3.35Å; G254-V256 PolarHBondContact O-N 3.31Å; V256-A258 PolarHBondContact O-N 2.91Å; V256-G259 PolarHBondContact O-N 2.92Å; V256-I260 HydrophobicContact CG1-CD1 3.72Å; V256-I260 HydrophobicContact CG1-CG1 4.41Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.24Å; V256-I260 PolarHBondContact O-N 2.81Å
257	P	61.3	Low	66.8	Low	54 Å²	54	64.2 Å²	64.2	35%	0.351	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-27.6	169.8	-24.8	29.8	0	0	0	115.2	K30 G254 R261	K30-P257 PolarHBondContact NZ-O 3.22Å; G254-P257 WeakPolarHBondContact O-CD 2.88Å; P257-R261 PolarHBondContact O-N 3.44Å
258	A	63.3	Low	66.5	Low	17 Å²	17	65.8 Å²	65.8	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-71.3	-46.9	174	0	0	0	0	0	111.2	T213 G254 L255 V256 R261 L262	T213-A258 HydrophobicContact CG2-CB 4.26Å; G254-A258 WeakPolarHBondContact O-CB 3.24Å; G254-A258 PolarHBondContact O-N 2.84Å; L255-A258 WeakPolarHBondContact O-CA 3.39Å; L255-A258 WeakPolarHBondContact O-CB 3.34Å; L255-A258 PolarHBondContact O-N 3Å; L255-A258 VanDerWaalsContact O-N 3.13Å; V256-A258 PolarHBondContact O-N 2.91Å; A258-R261 PolarHBondContact O-N 2.88Å; A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 PolarHBondContact O-N 3.21Å
259	G	64.6	Low	66.4	Low	26 Å²	26	61.8 Å²	61.8	27%	0.268	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-48.1	175.8	0	0	0	0	0	112.8	L255 V256 R261 L262 V263	L255-G259 PolarHBondContact O-N 3.33Å; V256-G259 PolarHBondContact O-N 2.92Å; G259-R261 PolarHBondContact O-N 3.48Å; G259-R261 VanDerWaalsContact O-N 3.11Å; G259-L262 PolarHBondContact O-N 2.84Å; G259-V263 WeakPolarHBondContact O-CG2 3.16Å; G259-V263 PolarHBondContact O-N 3.41Å
260	I	66.1	Low	66.3	Low	94 Å²	94	57.9 Å²	57.9	48%	0.482	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-28.3	177.7	-67.6	168.2	0	0	0	112	V256 P264	V256-I260 HydrophobicContact CG1-CD1 3.72Å; V256-I260 HydrophobicContact CG1-CG1 4.41Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.24Å; V256-I260 PolarHBondContact O-N 2.81Å; I260-P264 WeakPolarHBondContact O-CD 3.49Å; I260-P264 VanDerWaalsContact O-CG 3.24Å; I260-P264 WeakPolarHBondContact O-CG 3.2Å
261	R	65.4	Low	66.5	Low	108 Å²	108	60.6 Å²	60.6	41%	0.408	33%	0.326	S	S	.	.	H	α-helix	trans	-81.3	-44.2	172.9	-178.5	-175.8	69.4	170.2	16.6	112.5	D27 K30 P257 A258 G259 V263 P264 H265	D27-R261 WeakPolarHBondContact OD1-CD 3.4Å; D27-R261 WeakPolarHBondContact OD1-CG 3.18Å; K30-R261 HydrophobicContact CD-CB 4.44Å; P257-R261 PolarHBondContact O-N 3.44Å; A258-R261 PolarHBondContact O-N 2.88Å; G259-R261 PolarHBondContact O-N 3.48Å; G259-R261 VanDerWaalsContact O-N 3.11Å; R261-V263 VanDerWaalsContact C-N 3.28Å; R261-V263 PolarHBondContact O-N 2.87Å; R261-P264 WeakPolarHBondContact O-CD 3.34Å; R261-H265 PolarHBondContact O-N 3.31Å
262	L	64.6	Low	66.8	Low	60 Å²	60	62.4 Å²	62.4	31%	0.314	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-174.5	-167.1	80.5	0	0	0	110.3	A258 G259 T266	A258-L262 WeakPolarHBondContact O-CB 3.3Å; A258-L262 PolarHBondContact O-N 3.21Å; G259-L262 PolarHBondContact O-N 2.84Å; L262-T266 VanDerWaalsContact O-CB 3.24Å; L262-T266 WeakPolarHBondContact O-CB 3.17Å; L262-T266 PolarHBondContact O-N 3.39Å; L262-T266 PolarHBondContact O-OG1 2.83Å
263	V	66.8	Low	66.8	Low	59 Å²	59	59.6 Å²	59.6	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-55.1	-174.1	178	0	0	0	0	112.2	F206 G259 R261 H265 T266 V267	F206-V263 HydrophobicContact CE2-CG1 4.41Å; F206-V263 HydrophobicContact CE2-CG2 3.86Å; F206-V263 HydrophobicContact CZ-CG2 3.87Å; G259-V263 WeakPolarHBondContact O-CG2 3.16Å; G259-V263 PolarHBondContact O-N 3.41Å; R261-V263 VanDerWaalsContact C-N 3.28Å; R261-V263 PolarHBondContact O-N 2.87Å; V263-H265 PolarHBondContact O-N 3.48Å; V263-T266 PolarHBondContact O-N 3.34Å; V263-V267 HydrophobicContact CG1-CG2 4.38Å; V263-V267 WeakPolarHBondContact O-CB 3.31Å; V263-V267 VanDerWaalsContact O-CG2 3.24Å; V263-V267 WeakPolarHBondContact O-CG2 3.49Å; V263-V267 PolarHBondContact O-N 3.43Å
264	P	68.6	Low	67	Low	46 Å²	46	56.4 Å²	56.4	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-42.7	-179.9	-21.5	32.7	0	0	0	113.2	I260 R261 T266 V267 L268	I260-P264 WeakPolarHBondContact O-CD 3.49Å; I260-P264 VanDerWaalsContact O-CG 3.24Å; I260-P264 WeakPolarHBondContact O-CG 3.2Å; R261-P264 WeakPolarHBondContact O-CD 3.34Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.28Å; P264-V267 PolarHBondContact O-N 3.43Å; P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 WeakPolarHBondContact O-CG 3.12Å; P264-L268 PolarHBondContact O-N 2.98Å
265	H	67.1	Low	67.4	Low	47 Å²	47	59.4 Å²	59.4	22%	0.218	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-43.9	178.3	-178.5	-51.7	0	0	0	110.7	T23 R261 V263 T269	T23-H265 HydrophobicContact CG2-CB 4.16Å; R261-H265 PolarHBondContact O-N 3.31Å; V263-H265 PolarHBondContact O-N 3.48Å; H265-T269 PolarHBondContact CE1-OG1 3.43Å; H265-T269 VanDerWaalsContact CE1-OG1 3.27Å; H265-T269 PolarHBondContact ND1-OG1 3.33Å; H265-T269 VanDerWaalsContact ND1-OG1 3.13Å; H265-T269 WeakPolarHBondContact O-CB 3.23Å; H265-T269 PolarHBondContact O-N 3.36Å; H265-T269 PolarHBondContact O-OG1 2.88Å
266	T	66.1	Low	67.5	Low	33 Å²	33	58.4 Å²	58.4	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-48.1	-179.5	-51.3	0	0	0	0	110.1	L262 V263 P264 L268 T269 F270	L262-T266 VanDerWaalsContact O-CB 3.24Å; L262-T266 WeakPolarHBondContact O-CB 3.17Å; L262-T266 PolarHBondContact O-N 3.39Å; L262-T266 PolarHBondContact O-OG1 2.83Å; V263-T266 PolarHBondContact O-N 3.34Å; P264-T266 VanDerWaalsContact C-N 3.31Å; P264-T266 PolarHBondContact O-N 3.28Å; T266-L268 PolarHBondContact O-N 3.35Å; T266-T269 PolarHBondContact O-N 3.36Å; T266-F270 HydrophobicContact CG2-CD2 3.77Å; T266-F270 HydrophobicContact CG2-CE2 3.6Å; T266-F270 WeakPolarHBondContact O-CD2 3.45Å; T266-F270 PolarHBondContact O-N 2.97Å
267	V	69	Low	67.4	Low	63 Å²	63	56.9 Å²	56.9	38%	0.382	30%	0.299	S	S	.	.	H	α-helix	trans	-56.8	-50.2	177	172	0	0	0	0	111.4	V263 P264 T269 F270 V271	V263-V267 HydrophobicContact CG1-CG2 4.38Å; V263-V267 WeakPolarHBondContact O-CB 3.31Å; V263-V267 VanDerWaalsContact O-CG2 3.24Å; V263-V267 WeakPolarHBondContact O-CG2 3.49Å; V263-V267 PolarHBondContact O-N 3.43Å; P264-V267 PolarHBondContact O-N 3.43Å; V267-T269 PolarHBondContact O-N 3.39Å; V267-F270 PolarHBondContact O-N 3.07Å; V267-V271 HydrophobicContact CG1-CG2 4.45Å; V267-V271 WeakPolarHBondContact O-CG2 3.33Å; V267-V271 PolarHBondContact O-N 3.4Å
268	L	71.3	Confident	67.6	Low	54 Å²	54	60.9 Å²	60.9	28%	0.283	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-41.4	-179.7	-73.6	168.2	0	0	0	112.4	A19 C22 T23 P264 T266 F270 V271 F272	A19-L268 HydrophobicContact CB-CB 3.86Å; C22-L268 HydrophobicContact CB-CD1 3.88Å; T23-L268 HydrophobicContact CG2-CD1 3.63Å; P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 WeakPolarHBondContact O-CG 3.12Å; P264-L268 PolarHBondContact O-N 2.98Å; T266-L268 PolarHBondContact O-N 3.35Å; L268-F270 VanDerWaalsContact C-N 3.26Å; L268-F270 PolarHBondContact O-N 2.65Å; L268-V271 PolarHBondContact O-N 3.13Å; L268-F272 HydrophobicContact CB-CE2 4.46Å; L268-F272 WeakPolarHBondContact O-CD2 3.39Å; L268-F272 PolarHBondContact O-N 3.21Å
269	T	69.8	Low	67.8	Low	18 Å²	18	68.1 Å²	68.1	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-41.5	176.8	-56.7	0	0	0	0	110.6	A15 A19 H265 T266 V267 L273	A15-T269 HydrophobicContact CB-CG2 4.26Å; A15-T269 WeakPolarHBondContact CB-O 3.4Å; A19-T269 WeakPolarHBondContact CB-OG1 3.24Å; H265-T269 PolarHBondContact CE1-OG1 3.43Å; H265-T269 VanDerWaalsContact CE1-OG1 3.27Å; H265-T269 PolarHBondContact ND1-OG1 3.33Å; H265-T269 VanDerWaalsContact ND1-OG1 3.13Å; H265-T269 WeakPolarHBondContact O-CB 3.23Å; H265-T269 PolarHBondContact O-N 3.36Å; H265-T269 PolarHBondContact O-OG1 2.88Å; T266-T269 PolarHBondContact O-N 3.36Å; V267-T269 PolarHBondContact O-N 3.39Å; T269-L273 WeakPolarHBondContact O-CB 3.26Å; T269-L273 PolarHBondContact O-N 2.85Å
270	F	67.1	Low	67.7	Low	66 Å²	66	73.7 Å²	73.7	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-69.4	-44.5	177.9	-84.4	-69.6	0	0	0	112.8	F202 T266 V267 L268 F272 L273 E274	F202-F270 HydrophobicContact CD2-CD2 4.15Å; F202-F270 HydrophobicContact CD2-CE2 4.38Å; F202-F270 HydrophobicContact CD2-CG 4.35Å; F202-F270 HydrophobicContact CE2-CD2 4.03Å; F202-F270 HydrophobicContact CE2-CG 4.4Å; T266-F270 HydrophobicContact CG2-CD2 3.77Å; T266-F270 HydrophobicContact CG2-CE2 3.6Å; T266-F270 WeakPolarHBondContact O-CD2 3.45Å; T266-F270 PolarHBondContact O-N 2.97Å; V267-F270 PolarHBondContact O-N 3.07Å; L268-F270 VanDerWaalsContact C-N 3.26Å; L268-F270 PolarHBondContact O-N 2.65Å; F270-F272 VanDerWaalsContact C-N 3.31Å; F270-F272 PolarHBondContact O-N 2.67Å; F270-L273 PolarHBondContact O-N 2.93Å; F270-L273 VanDerWaalsContact O-N 3.11Å; F270-E274 PolarHBondContact O-N 2.91Å
271	V	72.1	Confident	67.2	Low	67 Å²	67	69.7 Å²	69.7	41%	0.406	34%	0.336	S	S	.	.	H	α-helix	trans	-56.6	-47.7	175.4	171.6	0	0	0	0	110.1	V267 L268 L273 E274 Q275	V267-V271 HydrophobicContact CG1-CG2 4.45Å; V267-V271 WeakPolarHBondContact O-CG2 3.33Å; V267-V271 PolarHBondContact O-N 3.4Å; L268-V271 PolarHBondContact O-N 3.13Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.47Å; V271-E274 PolarHBondContact O-N 3.45Å; V271-Q275 VanDerWaalsContact O-CG 3.28Å; V271-Q275 WeakPolarHBondContact O-CG 3.33Å; V271-Q275 PolarHBondContact O-N 2.89Å
272	F	73.3	Confident	66.7	Low	72 Å²	72	69.8 Å²	69.8	32%	0.316	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-39.8	176.5	-76.1	-57.6	0	0	0	112.8	A15 G18 A19 L268 F270 Q275 L276	A15-F272 HydrophobicContact CB-CB 3.87Å; G18-F272 VanDerWaalsContact C-CE2 3.47Å; A19-F272 HydrophobicContact CB-CD2 4.23Å; L268-F272 HydrophobicContact CB-CE2 4.46Å; L268-F272 WeakPolarHBondContact O-CD2 3.39Å; L268-F272 PolarHBondContact O-N 3.21Å; F270-F272 VanDerWaalsContact C-N 3.31Å; F270-F272 PolarHBondContact O-N 2.67Å; F272-Q275 PolarHBondContact O-N 3.41Å; F272-L276 VanDerWaalsContact O-CB 3.31Å; F272-L276 WeakPolarHBondContact O-CB 3.15Å; F272-L276 WeakPolarHBondContact O-CG 3.33Å; F272-L276 PolarHBondContact O-N 2.89Å
273	L	68.4	Low	65.8	Low	25 Å²	25	75 Å²	75	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-66.7	-38.6	179.3	-171.2	148.2	0	0	0	112.1	A15 T269 F270 V271 K277	A15-L273 HydrophobicContact CB-CB 3.79Å; T269-L273 WeakPolarHBondContact O-CB 3.26Å; T269-L273 PolarHBondContact O-N 2.85Å; F270-L273 PolarHBondContact O-N 2.93Å; F270-L273 VanDerWaalsContact O-N 3.11Å; V271-L273 VanDerWaalsContact C-N 3.34Å; V271-L273 PolarHBondContact O-N 3.47Å; L273-K277 HydrophobicContact CD2-CD 3.74Å; L273-K277 HydrophobicContact CD2-CG 4.35Å; L273-K277 VanDerWaalsContact CD2-NZ 3.29Å; L273-K277 WeakPolarHBondContact O-CB 3.48Å; L273-K277 WeakPolarHBondContact O-CG 3.4Å; L273-K277 PolarHBondContact O-N 3.42Å
274	E	67.9	Low	64.8	Low	96 Å²	96	76.2 Å²	76.2	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-44	174.7	-75.6	-174.5	169.8	0	0	112.1	F270 V271 K277 K278	F270-E274 PolarHBondContact O-N 2.91Å; V271-E274 PolarHBondContact O-N 3.45Å; E274-K277 PolarHBondContact O-N 3.03Å; E274-K278 WeakPolarHBondContact O-CB 3.46Å; E274-K278 PolarHBondContact O-N 2.85Å
275	Q	70.9	Confident	63.4	Low	87 Å²	87	81.8 Å²	81.8	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-44.8	175	-64.1	-58.4	-29.7	0	0	110.7	V271 F272 K277 K278 Y279	V271-Q275 VanDerWaalsContact O-CG 3.28Å; V271-Q275 WeakPolarHBondContact O-CG 3.33Å; V271-Q275 PolarHBondContact O-N 2.89Å; F272-Q275 PolarHBondContact O-N 3.41Å; Q275-K277 PolarHBondContact O-N 3.27Å; Q275-K278 PolarHBondContact O-N 2.96Å; Q275-K278 VanDerWaalsContact O-N 3.15Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.38Å; Q275-Y279 PolarHBondContact O-N 2.72Å
276	L	68.7	Low	62.1	Low	32 Å²	32	86.7 Å²	86.7	17%	0.168	43%	0.427	C	S	.	.	H	α-helix	trans	-61.7	-40.4	176.1	-74.4	168.3	0	0	0	112.4	F11 L14 A15 F272 F280 G281	F11-L276 HydrophobicContact CD1-CB 4.14Å; L14-L276 HydrophobicContact CB-CD1 4.08Å; A15-L276 HydrophobicContact CB-CD1 4.07Å; F272-L276 VanDerWaalsContact O-CB 3.31Å; F272-L276 WeakPolarHBondContact O-CB 3.15Å; F272-L276 WeakPolarHBondContact O-CG 3.33Å; F272-L276 PolarHBondContact O-N 2.89Å; L276-F280 HydrophobicContact CD2-CD2 4.09Å; L276-F280 HydrophobicContact CD2-CE2 4.49Å; L276-F280 WeakPolarHBondContact O-CA 3.35Å; L276-F280 WeakPolarHBondContact O-CB 3.37Å; L276-F280 PolarHBondContact O-N 2.84Å; L276-G281 PolarHBondContact O-N 3.5Å
277	K	63.5	Low	61.9	Low	70 Å²	70	89.4 Å²	89.4	30%	0.304	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-37.8	173.2	-79.6	175.6	174.7	169.7	0	112.8	S7 L273 E274 Q275 G281	S7-K277 VanDerWaalsContact CB-CE 3.4Å; L273-K277 HydrophobicContact CD2-CD 3.74Å; L273-K277 HydrophobicContact CD2-CG 4.35Å; L273-K277 VanDerWaalsContact CD2-NZ 3.29Å; L273-K277 WeakPolarHBondContact O-CB 3.48Å; L273-K277 WeakPolarHBondContact O-CG 3.4Å; L273-K277 PolarHBondContact O-N 3.42Å; E274-K277 PolarHBondContact O-N 3.03Å; Q275-K277 PolarHBondContact O-N 3.27Å; K277-G281 WeakPolarHBondContact O-CA 3.15Å; K277-G281 PolarHBondContact O-N 2.99Å
278	K	66	Low	61.5	Low	139 Å²	139	90.8 Å²	90.8	60%	0.604	44%	0.442	S	S	*	.	H	α-helix	trans	-69.6	-39.6	-178.6	-170	176.9	179.8	-178.8	0	111.9	R5 E274 Q275	R5-K278 PolarHBondContact NH1-O 3.19Å; E274-K278 WeakPolarHBondContact O-CB 3.46Å; E274-K278 PolarHBondContact O-N 2.85Å; Q275-K278 PolarHBondContact O-N 2.96Å; Q275-K278 VanDerWaalsContact O-N 3.15Å
279	Y	65.8	Low	61	Low	168 Å²	168	92.8 Å²	92.8	66%	0.659	45%	0.451	S	S	*	.	H	α-helix	trans	-92.6	-34.4	-177.5	-70.7	-73	0	0	0	114.3	Q275	Q275-Y279 WeakPolarHBondContact O-CD2 3.38Å; Q275-Y279 PolarHBondContact O-N 2.72Å
280	F	63.4	Low	60.5	Low	143 Å²	143	97.2 Å²	97.2	63%	0.627	47%	0.471	S	S	*	.	H	α-helix	trans	-121.9	1.5	-173.9	-63.2	-82.8	0	0	0	114.3	F11 L276 I282	F11-F280 HydrophobicContact CE1-CB 3.8Å; F11-F280 HydrophobicContact CZ-CB 3.77Å; F11-F280 WeakPolarHBondContact CZ-O 3.42Å; L276-F280 HydrophobicContact CD2-CD2 4.09Å; L276-F280 HydrophobicContact CD2-CE2 4.49Å; L276-F280 WeakPolarHBondContact O-CA 3.35Å; L276-F280 WeakPolarHBondContact O-CB 3.37Å; L276-F280 PolarHBondContact O-N 2.84Å; F280-I282 PolarHBondContact O-N 2.9Å
281	G	55.3	Low	60.1	Low	11 Å²	11	99.2 Å²	99.2	11%	0.113	48%	0.482	C	S	.	.			trans	-69.4	125.7	175.2	0	0	0	0	0	111.1	L276 K277 R283	L276-G281 PolarHBondContact O-N 3.5Å; K277-G281 WeakPolarHBondContact O-CA 3.15Å; K277-G281 PolarHBondContact O-N 2.99Å; G281-R283 PolarHBondContact O-N 3.22Å
282	I	54	Low	59.3	Low	110 Å²	110	101.3 Å²	101.3	56%	0.564	49%	0.487	S	S	*	.	B	Isolated β-bridge	trans	-64.8	126.7	174.1	-60.6	169	0	0	0	108.1	F280 I284	F280-I282 PolarHBondContact O-N 2.9Å; I282-I284 PolarHBondContact O-N 2.97Å
283	R	46.3	Very low	58.3	Low	168 Å²	168	103.4 Å²	103.4	63%	0.634	50%	0.499	S	S	*	.			trans	-71	111.6	172.1	-67.8	-174.4	-172.6	-176.3	1.8	107.9	G281	G281-R283 PolarHBondContact O-N 3.22Å
284	I	47.2	Very low	57.5	Low	86 Å²	86	109.5 Å²	109.5	44%	0.441	53%	0.527	S	S	.	.			trans	-93	104	165.4	-53.2	174.7	0	0	0	104.9	M6 I282 S286	M6-I284 HydrophobicContact CB-CD1 3.79Å; M6-I284 HydrophobicContact CE-CD1 4.36Å; M6-I284 HydrophobicContact SD-CD1 4.41Å; I282-I284 PolarHBondContact O-N 2.97Å; I284-S286 PolarHBondContact O-N 2.92Å
285	I	39.2	Very low	56.6	Low	162 Å²	162	110.6 Å²	110.6	83%	0.831	53%	0.534	S	S	*	.			trans	-74.1	117.2	168.3	-54.6	169	0	0	0	104.7
286	S	38.9	Very low	55.3	Low	151 Å²	151	112.7 Å²	112.7	100%	1.056	55%	0.546	S	S	*	.			trans	-115.6	0	167.6	-173.2	0	0	0	0	109.2	I284	I284-S286 PolarHBondContact O-N 2.92Å

Retrieved 286 of 286 residues in 225.3 ms (Link to these results)

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