A0A077Z733_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z733, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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	38.5	Very low	51.2	Low	244 Å²	244	112.2 Å²	112.2	100%	1.202	60%	0.603	S	S	*	*				0	136.4	0	-66.8	-178.8	-144.5	0	0	106.8	Q3	M1-Q3 PolarHBondContact O-N 3.08Å
2	A	45	Very low	50.3	Low	100 Å²	100	117 Å²	117	83%	0.826	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.2	126.3	172.8	0	0	0	0	0	108.3	S4	A2-S4 PolarHBondContact O-N 3.12Å
3	Q	44	Very low	49.6	Very low	116 Å²	116	110.8 Å²	110.8	54%	0.542	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-50.1	127.2	172.2	-130.6	171.7	-13.7	0	0	107.5	M1 E7 V8	M1-Q3 PolarHBondContact O-N 3.08Å; Q3-E7 HydrophobicContact CG-CB 4.22Å; Q3-E7 WeakPolarHBondContact CG-OE2 3.04Å; Q3-V8 HydrophobicContact CB-CG2 4.43Å
4	S	50	Low	49.4	Very low	58 Å²	58	113.8 Å²	113.8	41%	0.406	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-66.5	143.9	-176.4	75.2	0	0	0	0	108.6	A2 K6 E7 V8	A2-S4 PolarHBondContact O-N 3.12Å; S4-K6 PolarHBondContact O-N 3.1Å; S4-E7 PolarHBondContact N-OE2 3.19Å; S4-E7 WeakPolarHBondContact O-CB 3.18Å; S4-E7 PolarHBondContact O-N 3.4Å; S4-E7 PolarHBondContact OG-OE2 2.81Å; S4-V8 PolarHBondContact O-N 3.21Å
5	T	53.1	Low	49.1	Very low	111 Å²	111	112.3 Å²	112.3	68%	0.681	59%	0.586	S	S	*	*	H	α-helix	trans	-52	-28.3	-179.9	-47.6	0	0	0	0	112.6	V8 L9	T5-V8 PolarHBondContact O-N 3.32Å; T5-L9 HydrophobicContact CG2-CD1 4.32Å; T5-L9 VanDerWaalsContact O-CG 3.29Å; T5-L9 WeakPolarHBondContact O-CG 3.1Å; T5-L9 PolarHBondContact O-N 2.63Å; T5-L9 VanDerWaalsContact O-N 3.09Å
6	K	52.8	Low	48.5	Very low	148 Å²	148	110.8 Å²	110.8	64%	0.643	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-41.6	174.9	-170.6	178.8	176.5	-176.2	0	113	S4 V8 L9 D10	S4-K6 PolarHBondContact O-N 3.1Å; K6-V8 VanDerWaalsContact C-N 3.33Å; K6-V8 PolarHBondContact O-N 3.5Å; K6-L9 PolarHBondContact O-N 2.87Å; K6-D10 WeakPolarHBondContact O-CB 3.42Å; K6-D10 PolarHBondContact O-N 3.05Å
7	E	62.5	Low	48.1	Very low	100 Å²	100	110.5 Å²	110.5	47%	0.467	57%	0.574	S	S	.	*	H	α-helix	trans	-64.3	-38.9	176.2	-71.2	167.5	145.3	0	0	111.6	Q3 S4 L9 D10 E11	Q3-E7 HydrophobicContact CG-CB 4.22Å; Q3-E7 WeakPolarHBondContact CG-OE2 3.04Å; S4-E7 PolarHBondContact N-OE2 3.19Å; S4-E7 WeakPolarHBondContact O-CB 3.18Å; S4-E7 PolarHBondContact O-N 3.4Å; S4-E7 PolarHBondContact OG-OE2 2.81Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-D10 PolarHBondContact O-N 3.4Å; E7-E11 WeakPolarHBondContact O-CB 3.46Å; E7-E11 PolarHBondContact O-N 3.49Å
8	V	56.2	Low	47.8	Very low	53 Å²	53	106.9 Å²	106.9	32%	0.321	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-39.8	175.7	179.5	0	0	0	0	111.2	Q3 S4 T5 K6 W12	Q3-V8 HydrophobicContact CB-CG2 4.43Å; S4-V8 PolarHBondContact O-N 3.21Å; T5-V8 PolarHBondContact O-N 3.32Å; K6-V8 VanDerWaalsContact C-N 3.33Å; K6-V8 PolarHBondContact O-N 3.5Å; V8-W12 WeakPolarHBondContact O-CB 3.36Å; V8-W12 PolarHBondContact O-N 3.17Å
9	L	48.1	Very low	47.1	Very low	101 Å²	101	108.3 Å²	108.3	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-71.9	-38.7	178	-71.1	170.7	0	0	0	112.4	T5 K6 E7 W12 G13	T5-L9 HydrophobicContact CG2-CD1 4.32Å; T5-L9 VanDerWaalsContact O-CG 3.29Å; T5-L9 WeakPolarHBondContact O-CG 3.1Å; T5-L9 PolarHBondContact O-N 2.63Å; T5-L9 VanDerWaalsContact O-N 3.09Å; K6-L9 PolarHBondContact O-N 2.87Å; E7-L9 VanDerWaalsContact C-N 3.34Å; L9-W12 HydrophobicContact CD2-CE3 4.43Å; L9-W12 PolarHBondContact O-N 2.89Å; L9-G13 PolarHBondContact O-N 3.49Å
10	D	61	Low	46.7	Very low	93 Å²	93	110.3 Å²	110.3	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-67.8	-36.3	175.1	-72.4	-19.2	0	0	0	111.3	K6 E7 K14	K6-D10 WeakPolarHBondContact O-CB 3.42Å; K6-D10 PolarHBondContact O-N 3.05Å; E7-D10 PolarHBondContact O-N 3.4Å; D10-K14 WeakPolarHBondContact O-CG 3.29Å; D10-K14 PolarHBondContact O-N 2.7Å
11	E	52.4	Low	46.4	Very low	110 Å²	110	112 Å²	112	51%	0.514	58%	0.576	S	S	.	*	H	α-helix	trans	-64	-43.1	168.8	-88.9	-174.5	155.9	0	0	111.9	E7 K14 L15	E7-E11 WeakPolarHBondContact O-CB 3.46Å; E7-E11 PolarHBondContact O-N 3.49Å; E11-K14 PolarHBondContact O-N 2.89Å; E11-L15 WeakPolarHBondContact O-CB 3.3Å; E11-L15 PolarHBondContact O-N 3.43Å
12	W	40.2	Very low	46.7	Very low	170 Å²	170	102 Å²	102	64%	0.644	53%	0.533	S	S	*	.	H	α-helix	trans	-64.5	-38.3	175.7	-88.2	14.5	0	0	0	113.4	V8 L9 L15 E16	V8-W12 WeakPolarHBondContact O-CB 3.36Å; V8-W12 PolarHBondContact O-N 3.17Å; L9-W12 HydrophobicContact CD2-CE3 4.43Å; L9-W12 PolarHBondContact O-N 2.89Å; W12-L15 WeakPolarHBondContact O-CA 3.38Å; W12-L15 WeakPolarHBondContact O-CB 3.24Å; W12-L15 PolarHBondContact O-N 3.22Å; W12-L15 VanDerWaalsContact O-N 3.11Å; W12-E16 PolarHBondContact O-N 3.33Å
13	G	40.6	Very low	46.6	Very low	36 Å²	36	98.5 Å²	98.5	37%	0.371	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.3	0	0	0	0	0	111.9	L9 L15 E16 D17	L9-G13 PolarHBondContact O-N 3.49Å; G13-L15 VanDerWaalsContact C-N 3.26Å; G13-L15 PolarHBondContact O-N 3.46Å; G13-E16 PolarHBondContact O-N 3.04Å; G13-D17 PolarHBondContact O-N 3.27Å
14	K	47.3	Very low	46.7	Very low	153 Å²	153	93.5 Å²	93.5	67%	0.665	48%	0.475	S	S	*	.	H	α-helix	trans	-64.2	-31.2	173	-68.7	176.2	-177.2	177.8	0	112.8	D10 E11 A18	D10-K14 WeakPolarHBondContact O-CG 3.29Å; D10-K14 PolarHBondContact O-N 2.7Å; E11-K14 PolarHBondContact O-N 2.89Å; K14-A18 VanDerWaalsContact O-CB 3.3Å; K14-A18 WeakPolarHBondContact O-CB 3.22Å; K14-A18 PolarHBondContact O-N 3.15Å
15	L	44.2	Very low	46.6	Very low	91 Å²	91	97.6 Å²	97.6	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-69.8	-36	175.9	-139.4	137	0	0	0	111.1	E11 W12 G13 A18 K19	E11-L15 WeakPolarHBondContact O-CB 3.3Å; E11-L15 PolarHBondContact O-N 3.43Å; W12-L15 WeakPolarHBondContact O-CA 3.38Å; W12-L15 WeakPolarHBondContact O-CB 3.24Å; W12-L15 PolarHBondContact O-N 3.22Å; W12-L15 VanDerWaalsContact O-N 3.11Å; G13-L15 VanDerWaalsContact C-N 3.26Å; G13-L15 PolarHBondContact O-N 3.46Å; L15-A18 PolarHBondContact O-N 3.12Å; L15-K19 WeakPolarHBondContact O-CG 3.27Å; L15-K19 PolarHBondContact O-N 2.91Å
16	E	39.4	Very low	46.6	Very low	89 Å²	89	92.8 Å²	92.8	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-72.4	-38.7	172.3	-68.7	-37.3	-120.6	0	0	112.7	W12 G13 A18 K19 Q20	W12-E16 PolarHBondContact O-N 3.33Å; G13-E16 PolarHBondContact O-N 3.04Å; E16-A18 VanDerWaalsContact C-N 3.26Å; E16-A18 PolarHBondContact O-N 2.96Å; E16-K19 CarbonylContact O-C 3.17Å; E16-K19 WeakPolarHBondContact O-CB 3.19Å; E16-K19 PolarHBondContact O-N 3.13Å; E16-K19 VanDerWaalsContact O-N 3.09Å; E16-K19 IonicContact OE1-NZ 3.57Å; E16-K19 PolarHBondContact OE1-NZ 3.36Å; E16-K19 WeakPolarHBondContact OE2-CD 3.34Å; E16-K19 WeakPolarHBondContact OE2-CE 3.1Å; E16-K19 IonicContact OE2-NZ 3.55Å; E16-K19 PolarHBondContact OE2-NZ 2.67Å; E16-Q20 WeakPolarHBondContact O-CG 3.3Å; E16-Q20 PolarHBondContact O-N 3.37Å
17	D	42.9	Very low	46.8	Very low	105 Å²	105	93.2 Å²	93.2	56%	0.561	47%	0.472	S	S	*	.	H	α-helix	trans	-61.2	-38.6	172.1	-69.7	-17.9	0	0	0	111	G13 Q20 Q21	G13-D17 PolarHBondContact O-N 3.27Å; D17-Q20 PolarHBondContact O-N 2.89Å; D17-Q21 PolarHBondContact O-N 3.34Å
18	A	41.5	Very low	46.5	Very low	46 Å²	46	89.9 Å²	89.9	38%	0.38	46%	0.46	S	S	.	.	H	α-helix	trans	-69	-30.1	174	0	0	0	0	0	113.2	K14 L15 E16 Q20	K14-A18 VanDerWaalsContact O-CB 3.3Å; K14-A18 WeakPolarHBondContact O-CB 3.22Å; K14-A18 PolarHBondContact O-N 3.15Å; L15-A18 PolarHBondContact O-N 3.12Å; E16-A18 VanDerWaalsContact C-N 3.26Å; E16-A18 PolarHBondContact O-N 2.96Å; A18-Q20 VanDerWaalsContact C-N 3.33Å
19	K	34.8	Very low	46.7	Very low	134 Å²	134	87.8 Å²	87.8	58%	0.583	45%	0.447	S	S	*	.	H	α-helix	trans	-73.1	-25.4	170.2	-74.5	-176	-161.4	152.8	0	112.7	L15 E16	L15-K19 WeakPolarHBondContact O-CG 3.27Å; L15-K19 PolarHBondContact O-N 2.91Å; E16-K19 CarbonylContact O-C 3.17Å; E16-K19 WeakPolarHBondContact O-CB 3.19Å; E16-K19 PolarHBondContact O-N 3.13Å; E16-K19 VanDerWaalsContact O-N 3.09Å; E16-K19 IonicContact OE1-NZ 3.57Å; E16-K19 PolarHBondContact OE1-NZ 3.36Å; E16-K19 WeakPolarHBondContact OE2-CD 3.34Å; E16-K19 WeakPolarHBondContact OE2-CE 3.1Å; E16-K19 IonicContact OE2-NZ 3.55Å; E16-K19 PolarHBondContact OE2-NZ 2.67Å
20	Q	39.3	Very low	47.4	Very low	148 Å²	148	83.6 Å²	83.6	69%	0.692	42%	0.424	S	S	*	.	H	α-helix	trans	-85.2	-11.7	-178.6	-77.9	-174.6	11.6	0	0	114.5	E16 D17 A18 A22	E16-Q20 WeakPolarHBondContact O-CG 3.3Å; E16-Q20 PolarHBondContact O-N 3.37Å; D17-Q20 PolarHBondContact O-N 2.89Å; A18-Q20 VanDerWaalsContact C-N 3.33Å; Q20-A22 PolarHBondContact O-N 3.08Å
21	Q	40.2	Very low	47.5	Very low	147 Å²	147	82.6 Å²	82.6	69%	0.687	42%	0.418	S	S	*	.			trans	-70.3	76.1	165.8	-76.6	-171.6	-17.9	0	0	109.2	D17 F23	D17-Q21 PolarHBondContact O-N 3.34Å; Q21-F23 PolarHBondContact O-N 2.94Å
22	A	44.8	Very low	47.9	Very low	34 Å²	34	77.3 Å²	77.3	28%	0.281	39%	0.394	S	S	.	.			trans	-60.9	122.5	172.4	0	0	0	0	0	107.5	Q20 F24	Q20-A22 PolarHBondContact O-N 3.08Å; A22-F24 PolarHBondContact O-N 2.81Å
23	F	43.5	Very low	49.1	Very low	26 Å²	26	69.2 Å²	69.2	11%	0.114	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.8	-178.2	176.6	-80.5	0	0	0	113.8	Q21 S26 A32 K35 F36	Q21-F23 PolarHBondContact O-N 2.94Å; F23-S26 PolarHBondContact O-OG 3.13Å; F23-A32 HydrophobicContact CE1-CB 3.99Å; F23-A32 WeakPolarHBondContact CE1-O 3.33Å; F23-A32 WeakPolarHBondContact CZ-O 3.46Å; F23-K35 HydrophobicContact CD2-CB 4.21Å; F23-K35 HydrophobicContact CE1-CB 4.17Å; F23-K35 HydrophobicContact CE2-CB 3.21Å; F23-K35 VanDerWaalsContact CE2-O 3.32Å; F23-K35 WeakPolarHBondContact CE2-O 3.42Å; F23-K35 HydrophobicContact CZ-CB 3.15Å; F23-K35 HydrophobicContact CZ-CG 4.45Å; F23-F36 HydrophobicContact CE1-CB 4.12Å; F23-F36 HydrophobicContact CE2-CB 3.94Å; F23-F36 HydrophobicContact CZ-CB 3.45Å; F23-F36 VanDerWaalsContact CZ-CB 3.45Å
24	F	45.3	Very low	50.2	Low	11 Å²	11	69.7 Å²	69.7	5%	0.048	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	27.7	-164.3	-61.1	-67.4	0	0	0	116.3	A22 S26 A32 F49 Y54 F101	A22-F24 PolarHBondContact O-N 2.81Å; F24-S26 PolarHBondContact O-N 2.97Å; F24-A32 HydrophobicContact CD1-CB 3.8Å; F24-A32 HydrophobicContact CE1-CB 3.81Å; F24-F49 HydrophobicContact CD2-CD1 4Å; F24-F49 HydrophobicContact CD2-CE1 4.5Å; F24-F49 HydrophobicContact CE1-CD1 4.44Å; F24-F49 HydrophobicContact CE1-CE1 4.18Å; F24-F49 HydrophobicContact CE2-CB 4.44Å; F24-F49 AromaticContact CE2-CD1 3.09Å; F24-F49 HydrophobicContact CE2-CD1 3.09Å; F24-F49 AromaticContact CE2-CE1 3.29Å; F24-F49 HydrophobicContact CE2-CE1 3.29Å; F24-F49 AromaticContact CE2-CG 3.85Å; F24-F49 HydrophobicContact CE2-CG 3.85Å; F24-F49 HydrophobicContact CE2-CZ 4.14Å; F24-F49 AromaticContact CZ-CD1 3.38Å; F24-F49 HydrophobicContact CZ-CD1 3.38Å; F24-F49 AromaticContact CZ-CE1 3.07Å; F24-F49 HydrophobicContact CZ-CE1 3.07Å; F24-F49 HydrophobicContact CZ-CG 4.47Å; F24-F49 AromaticContact CZ-CZ 3.98Å; F24-F49 HydrophobicContact CZ-CZ 3.98Å; F24-Y54 HydrophobicContact CB-CE2 4.04Å; F24-Y54 HydrophobicContact CD1-CE1 4.2Å; F24-Y54 AromaticContact CD1-CE2 3.31Å; F24-Y54 HydrophobicContact CD1-CE2 3.31Å; F24-Y54 AromaticContact CD1-CZ 3.11Å; F24-Y54 WeakPolarHBondContact CD1-OH 3.39Å; F24-Y54 HydrophobicContact CD2-CE2 4.34Å; F24-Y54 AromaticContact CE1-CE2 3.74Å; F24-Y54 HydrophobicContact CE1-CE2 3.74Å; F24-Y54 AromaticContact CE1-CZ 3.56Å; F24-Y54 WeakPolarHBondContact CE1-OH 3.44Å; F24-Y54 AromaticContact CG-CE2 3.62Å; F24-Y54 HydrophobicContact CG-CE2 3.62Å; F24-Y54 AromaticContact CG-CZ 3.86Å; F24-Y54 HydrophobicContact CZ-CE2 4.48Å; F24-F101 HydrophobicContact CE1-CD2 4.45Å; F24-F101 HydrophobicContact CE1-CE1 4.25Å; F24-F101 AromaticContact CE1-CE2 3.84Å; F24-F101 HydrophobicContact CE1-CE2 3.84Å; F24-F101 AromaticContact CE1-CZ 3.72Å; F24-F101 HydrophobicContact CE1-CZ 3.72Å; F24-F101 HydrophobicContact CZ-CE1 4.03Å; F24-F101 HydrophobicContact CZ-CE2 4.38Å; F24-F101 AromaticContact CZ-CZ 3.8Å; F24-F101 HydrophobicContact CZ-CZ 3.8Å
25	D	48.9	Very low	51	Low	144 Å²	144	66.5 Å²	66.5	77%	0.77	34%	0.343	S	S	*	.			trans	-75.4	61	153.6	-71.4	-12.2	0	0	0	109.1	K35	D25-K35 PolarHBondContact O-NZ 2.81Å
26	S	52.3	Low	51.9	Low	10 Å²	10	62.4 Å²	62.4	7%	0.07	32%	0.322	C	S	.	.			trans	-124.4	131	-177.5	-61.1	0	0	0	0	110	F23 F24 S28 K35	F23-S26 PolarHBondContact O-OG 3.13Å; F24-S26 PolarHBondContact O-N 2.97Å; S26-S28 PolarHBondContact O-N 3.07Å; S26-K35 WeakPolarHBondContact OG-CD 2.91Å; S26-K35 WeakPolarHBondContact OG-CE 3.31Å; S26-K35 PolarHBondContact OG-NZ 3.48Å
27	D	56.8	Low	53	Low	156 Å²	156	58.3 Å²	58.3	83%	0.834	30%	0.303	S	S	*	.	S	Bend	trans	-68.9	-16.2	-178	-61.9	-31.2	0	0	0	112.6
28	S	57.3	Low	53.9	Low	30 Å²	30	58.5 Å²	58.5	21%	0.21	30%	0.303	C	S	.	.	S	Bend	trans	-144.3	161.2	177.6	81.1	0	0	0	0	114.7	S26 Y30 D31 A32	S26-S28 PolarHBondContact O-N 3.07Å; S28-Y30 PolarHBondContact O-N 3.32Å; S28-Y30 PolarHBondContact OG-N 3.17Å; S28-D31 WeakPolarHBondContact CB-OD2 3.47Å; S28-D31 PolarHBondContact N-OD2 3.06Å; S28-D31 PolarHBondContact O-N 3.22Å; S28-D31 PolarHBondContact OG-N 3.23Å; S28-D31 PolarHBondContact OG-OD2 2.81Å; S28-A32 WeakPolarHBondContact O-CB 3.34Å; S28-A32 PolarHBondContact O-N 3.4Å; S28-A32 VanDerWaalsContact O-N 3.11Å
29	Y	60	Low	54.7	Low	10 Å²	10	56.9 Å²	56.9	4%	0.039	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-26.3	171.7	-74.3	-67.4	0	0	0	113	A32 A33 Y54 V57 V59 F101 Q102	Y29-A32 CarbonylContact O-C 3.52Å; Y29-A33 PolarHBondContact O-N 3.1Å; Y29-Y54 AromaticContact CD1-CD1 3.83Å; Y29-Y54 HydrophobicContact CD1-CD1 3.83Å; Y29-Y54 AromaticContact CD1-CE1 3.61Å; Y29-Y54 HydrophobicContact CD1-CE1 3.61Å; Y29-Y54 HydrophobicContact CD1-CG 4.5Å; Y29-Y54 AromaticContact CE1-CD1 3.52Å; Y29-Y54 HydrophobicContact CE1-CD1 3.52Å; Y29-Y54 HydrophobicContact CE1-CD2 4.37Å; Y29-Y54 AromaticContact CE1-CE1 3.75Å; Y29-Y54 HydrophobicContact CE1-CE1 3.75Å; Y29-Y54 AromaticContact CE1-CG 3.8Å; Y29-Y54 HydrophobicContact CE1-CG 3.8Å; Y29-Y54 HydrophobicContact CG-CE1 4.38Å; Y29-V57 HydrophobicContact CD2-CB 4.19Å; Y29-V57 HydrophobicContact CD2-CG1 3.39Å; Y29-V57 HydrophobicContact CE2-CB 3.95Å; Y29-V57 HydrophobicContact CE2-CG1 3.67Å; Y29-V57 HydrophobicContact CG-CG1 4.07Å; Y29-V59 HydrophobicContact CE2-CG2 4.27Å; Y29-F101 HydrophobicContact CD1-CB 3.47Å; Y29-F101 VanDerWaalsContact CD1-CB 3.47Å; Y29-F101 HydrophobicContact CD1-CD2 4.08Å; Y29-F101 HydrophobicContact CD1-CG 4.26Å; Y29-F101 HydrophobicContact CE1-CB 3.6Å; Y29-Q102 HydrophobicContact CD1-CG 4.23Å; Y29-Q102 HydrophobicContact CD2-CG 3.75Å; Y29-Q102 HydrophobicContact CE1-CG 4.04Å; Y29-Q102 HydrophobicContact CE2-CG 3.54Å; Y29-Q102 HydrophobicContact CG-CG 4.08Å
30	Y	63.6	Low	55.7	Low	12 Å²	12	52.3 Å²	52.3	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-81.4	-40.3	179.9	-79.5	-92.6	0	0	0	112.1	S28 A32 A33 D34 Q60 K94 V98 F131	S28-Y30 PolarHBondContact O-N 3.32Å; S28-Y30 PolarHBondContact OG-N 3.17Å; Y30-A32 PolarHBondContact O-N 3.35Å; Y30-A33 CarbonylContact O-C 3.4Å; Y30-A33 WeakPolarHBondContact O-CA 3.42Å; Y30-A33 WeakPolarHBondContact O-CB 2.93Å; Y30-A33 PolarHBondContact O-N 3.3Å; Y30-D34 WeakPolarHBondContact O-CB 3.12Å; Y30-D34 PolarHBondContact O-N 3.37Å; Y30-Q60 HydrophobicContact CE2-CB 4.43Å; Y30-Q60 HydrophobicContact CE2-CG 4.03Å; Y30-Q60 VanDerWaalsContact CE2-NE2 3.33Å; Y30-Q60 PolarHBondContact OH-OE1 3.31Å; Y30-Q60 VanDerWaalsContact OH-OE1 3.13Å; Y30-K94 HydrophobicContact CD1-CB 3.97Å; Y30-K94 HydrophobicContact CD1-CD 3.94Å; Y30-K94 HydrophobicContact CE1-CB 4.06Å; Y30-V98 HydrophobicContact CD1-CG2 3.99Å; Y30-V98 HydrophobicContact CD2-CG2 3.98Å; Y30-V98 HydrophobicContact CE1-CG2 3.9Å; Y30-V98 HydrophobicContact CE2-CB 4.42Å; Y30-V98 HydrophobicContact CE2-CG1 3.87Å; Y30-V98 HydrophobicContact CE2-CG2 3.85Å; Y30-V98 HydrophobicContact CG-CG2 4.05Å; Y30-F131 AromaticContact CE1-CD2 3.82Å; Y30-F131 HydrophobicContact CE1-CD2 3.82Å; Y30-F131 HydrophobicContact CE1-CE1 4.4Å; Y30-F131 AromaticContact CE1-CE2 3.62Å; Y30-F131 HydrophobicContact CE1-CE2 3.62Å; Y30-F131 HydrophobicContact CE1-CG 4.31Å; Y30-F131 AromaticContact CE1-CZ 3.89Å; Y30-F131 HydrophobicContact CE1-CZ 3.89Å; Y30-F131 AromaticContact CZ-CE1 3.99Å; Y30-F131 AromaticContact CZ-CZ 3.83Å; Y30-F131 WeakPolarHBondContact OH-CE1 3.47Å; Y30-F131 WeakPolarHBondContact OH-CZ 2.77Å
31	D	61.6	Low	56.4	Low	72 Å²	72	50.1 Å²	50.1	39%	0.385	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-36.5	171.3	-57.6	-43.3	0	0	0	110.2	S28 D34 K35	S28-D31 WeakPolarHBondContact CB-OD2 3.47Å; S28-D31 PolarHBondContact N-OD2 3.06Å; S28-D31 PolarHBondContact O-N 3.22Å; S28-D31 PolarHBondContact OG-N 3.23Å; S28-D31 PolarHBondContact OG-OD2 2.81Å; D31-D34 PolarHBondContact O-N 2.86Å; D31-K35 WeakPolarHBondContact O-CB 3.36Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 3.41Å
32	A	62.1	Low	56.9	Low	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-26.1	170.9	0	0	0	0	0	113.7	F23 F24 S28 Y29 Y30 F36 Y54 F101	F23-A32 HydrophobicContact CE1-CB 3.99Å; F23-A32 WeakPolarHBondContact CE1-O 3.33Å; F23-A32 WeakPolarHBondContact CZ-O 3.46Å; F24-A32 HydrophobicContact CD1-CB 3.8Å; F24-A32 HydrophobicContact CE1-CB 3.81Å; S28-A32 WeakPolarHBondContact O-CB 3.34Å; S28-A32 PolarHBondContact O-N 3.4Å; S28-A32 VanDerWaalsContact O-N 3.11Å; Y29-A32 CarbonylContact O-C 3.52Å; Y30-A32 PolarHBondContact O-N 3.35Å; A32-F36 VanDerWaalsContact O-CB 3.24Å; A32-F36 WeakPolarHBondContact O-CB 3.32Å; A32-Y54 HydrophobicContact CB-CE1 4.21Å; A32-Y54 WeakPolarHBondContact CB-OH 3.3Å; A32-F101 HydrophobicContact CB-CD2 4.4Å; A32-F101 HydrophobicContact CB-CE2 3.97Å
33	A	64.7	Low	56.8	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-74.5	-37.4	169.6	0	0	0	0	0	110.5	Y29 Y30 F36 Y37 K94 V97 V98	Y29-A33 PolarHBondContact O-N 3.1Å; Y30-A33 CarbonylContact O-C 3.4Å; Y30-A33 WeakPolarHBondContact O-CA 3.42Å; Y30-A33 WeakPolarHBondContact O-CB 2.93Å; Y30-A33 PolarHBondContact O-N 3.3Å; A33-F36 WeakPolarHBondContact O-CB 3.41Å; A33-F36 PolarHBondContact O-N 3.2Å; A33-F36 VanDerWaalsContact O-N 3.16Å; A33-Y37 WeakPolarHBondContact O-CD2 3.49Å; A33-Y37 PolarHBondContact O-N 2.78Å; A33-K94 HydrophobicContact CB-CB 3.86Å; A33-K94 HydrophobicContact CB-CG 4.13Å; A33-V97 HydrophobicContact CB-CB 4.09Å; A33-V97 HydrophobicContact CB-CG1 3.81Å; A33-V98 HydrophobicContact CB-CG2 4.03Å
34	D	64.6	Low	56.8	Low	45 Å²	45	58.7 Å²	58.7	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-55.6	-179.8	-83.5	-32.9	0	0	0	112.4	Y30 D31 F36 Y37 D38 K94	Y30-D34 WeakPolarHBondContact O-CB 3.12Å; Y30-D34 PolarHBondContact O-N 3.37Å; D31-D34 PolarHBondContact O-N 2.86Å; D34-F36 PolarHBondContact O-N 2.81Å; D34-Y37 PolarHBondContact O-N 3.04Å; D34-Y37 VanDerWaalsContact O-N 3.14Å; D34-D38 PolarHBondContact O-N 2.88Å; D34-K94 WeakPolarHBondContact OD1-CD 3.18Å; D34-K94 WeakPolarHBondContact OD1-CE 3.02Å; D34-K94 IonicContact OD1-NZ 3.23Å; D34-K94 PolarHBondContact OD1-NZ 3.48Å; D34-K94 IonicContact OD2-NZ 3.08Å; D34-K94 PolarHBondContact OD2-NZ 3.47Å
35	K	63.2	Low	56.7	Low	87 Å²	87	63.3 Å²	63.3	38%	0.378	33%	0.326	S	S	.	.	H	α-helix	trans	-53.3	-34.5	174.3	-70.5	174.4	-173.6	173.8	0	109.7	F23 D25 S26 D31 Y37 D38 S39	F23-K35 HydrophobicContact CD2-CB 4.21Å; F23-K35 HydrophobicContact CE1-CB 4.17Å; F23-K35 HydrophobicContact CE2-CB 3.21Å; F23-K35 VanDerWaalsContact CE2-O 3.32Å; F23-K35 WeakPolarHBondContact CE2-O 3.42Å; F23-K35 HydrophobicContact CZ-CB 3.15Å; F23-K35 HydrophobicContact CZ-CG 4.45Å; D25-K35 PolarHBondContact O-NZ 2.81Å; S26-K35 WeakPolarHBondContact OG-CD 2.91Å; S26-K35 WeakPolarHBondContact OG-CE 3.31Å; S26-K35 PolarHBondContact OG-NZ 3.48Å; D31-K35 WeakPolarHBondContact O-CB 3.36Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 3.41Å; K35-Y37 VanDerWaalsContact C-N 3.35Å; K35-D38 PolarHBondContact O-N 2.93Å; K35-S39 VanDerWaalsContact O-CB 3.22Å; K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 2.91Å; K35-S39 PolarHBondContact O-OG 2.97Å
36	F	62.7	Low	56.5	Low	4 Å²	4	62.2 Å²	62.2	2%	0.018	32%	0.316	C	S	.	.	H	α-helix	trans	-73.4	-41.8	-169.7	167.7	-98.1	0	0	0	107.4	F23 A32 A33 D34 S39 L40 V97 F259 L262 A263	F23-F36 HydrophobicContact CE1-CB 4.12Å; F23-F36 HydrophobicContact CE2-CB 3.94Å; F23-F36 HydrophobicContact CZ-CB 3.45Å; F23-F36 VanDerWaalsContact CZ-CB 3.45Å; A32-F36 VanDerWaalsContact O-CB 3.24Å; A32-F36 WeakPolarHBondContact O-CB 3.32Å; A33-F36 WeakPolarHBondContact O-CB 3.41Å; A33-F36 PolarHBondContact O-N 3.2Å; A33-F36 VanDerWaalsContact O-N 3.16Å; D34-F36 PolarHBondContact O-N 2.81Å; F36-S39 CarbonylContact O-C 3.6Å; F36-S39 PolarHBondContact O-N 3.42Å; F36-S39 PolarHBondContact O-OG 2.84Å; F36-L40 HydrophobicContact CD1-CD1 3.93Å; F36-L40 HydrophobicContact CD1-CG 4.42Å; F36-L40 HydrophobicContact CE1-CD1 3.41Å; F36-L40 VanDerWaalsContact CE1-CD1 3.41Å; F36-L40 HydrophobicContact CE1-CD2 4.47Å; F36-L40 HydrophobicContact CE1-CG 4.02Å; F36-L40 HydrophobicContact CZ-CD1 3.9Å; F36-L40 HydrophobicContact CZ-CD2 4.12Å; F36-L40 HydrophobicContact CZ-CG 4.08Å; F36-L40 WeakPolarHBondContact O-CG 3.19Å; F36-L40 PolarHBondContact O-N 3.31Å; F36-V97 HydrophobicContact CD1-CG1 4.27Å; F36-V97 HydrophobicContact CD1-CG2 3.93Å; F36-V97 HydrophobicContact CE1-CG2 4.03Å; F36-F259 HydrophobicContact CE1-CD1 4.02Å; F36-F259 HydrophobicContact CZ-CD1 4.46Å; F36-L262 HydrophobicContact CZ-CB 4.21Å; F36-A263 HydrophobicContact CE2-CB 3.88Å; F36-A263 HydrophobicContact CZ-CB 4.44Å
37	Y	62.9	Low	56.3	Low	4 Å²	4	64 Å²	64	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-39.7	172.8	-75.8	-49.5	0	0	0	114.8	A33 D34 K35 S39 L40 L82 V88 C93 K94 V97	A33-Y37 WeakPolarHBondContact O-CD2 3.49Å; A33-Y37 PolarHBondContact O-N 2.78Å; D34-Y37 PolarHBondContact O-N 3.04Å; D34-Y37 VanDerWaalsContact O-N 3.14Å; K35-Y37 VanDerWaalsContact C-N 3.35Å; Y37-S39 PolarHBondContact O-N 2.87Å; Y37-L40 HydrophobicContact CD1-CD1 3.47Å; Y37-L40 VanDerWaalsContact CD1-CD1 3.47Å; Y37-L40 HydrophobicContact CE1-CD1 3.63Å; Y37-L40 PolarHBondContact O-N 2.78Å; Y37-L82 HydrophobicContact CE1-CD1 3.68Å; Y37-L82 WeakPolarHBondContact OH-CD1 3.44Å; Y37-V88 HydrophobicContact CD1-CB 3.24Å; Y37-V88 HydrophobicContact CD1-CG1 3Å; Y37-V88 HydrophobicContact CD1-CG2 3.9Å; Y37-V88 HydrophobicContact CD2-CG1 4.2Å; Y37-V88 HydrophobicContact CE1-CB 3.81Å; Y37-V88 HydrophobicContact CE1-CG1 2.99Å; Y37-V88 HydrophobicContact CE1-CG2 4.42Å; Y37-V88 HydrophobicContact CE2-CG1 4.11Å; Y37-V88 HydrophobicContact CG-CB 3.69Å; Y37-V88 HydrophobicContact CG-CG1 3.67Å; Y37-C93 VanDerWaalsContact CE2-C 3.49Å; Y37-C93 HydrophobicContact CE2-CB 3.98Å; Y37-C93 WeakPolarHBondContact CE2-O 3.02Å; Y37-C93 PolarHBondContact OH-O 3.27Å; Y37-K94 HydrophobicContact CD2-CG 4.28Å; Y37-K94 HydrophobicContact CE2-CG 4.28Å; Y37-V97 HydrophobicContact CE1-CG2 4.28Å; Y37-V97 HydrophobicContact CE2-CG2 3.66Å; Y37-V97 VanDerWaalsContact CZ-CG2 3.43Å; Y37-V97 WeakPolarHBondContact OH-CG2 3.16Å
38	D	62.3	Low	55.6	Low	108 Å²	108	67.1 Å²	67.1	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-59.7	-41.2	172.1	-69.1	-22.2	0	0	0	110.4	D34 K35 N41	D34-D38 PolarHBondContact O-N 2.88Å; K35-D38 PolarHBondContact O-N 2.93Å; D38-N41 PolarHBondContact O-N 3.41Å; D38-N41 PolarHBondContact O-ND2 3.18Å
39	S	58.2	Low	55	Low	12 Å²	12	68.1 Å²	68.1	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-76.1	-19.3	-178.1	83.5	0	0	0	0	114.8	K35 F36 Y37 N41 E42 Y47	K35-S39 VanDerWaalsContact O-CB 3.22Å; K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 2.91Å; K35-S39 PolarHBondContact O-OG 2.97Å; F36-S39 CarbonylContact O-C 3.6Å; F36-S39 PolarHBondContact O-N 3.42Å; F36-S39 PolarHBondContact O-OG 2.84Å; Y37-S39 PolarHBondContact O-N 2.87Å; S39-N41 PolarHBondContact O-N 3.21Å; S39-N41 VanDerWaalsContact O-N 3.16Å; S39-E42 WeakPolarHBondContact O-CB 3.38Å; S39-E42 PolarHBondContact O-N 3.06Å; S39-Y47 VanDerWaalsContact CB-OH 3.28Å; S39-Y47 WeakPolarHBondContact CB-OH 3.49Å; S39-Y47 PolarHBondContact O-OH 2.95Å; S39-Y47 PolarHBondContact OG-OH 2.93Å
40	L	55.5	Low	54.1	Low	38 Å²	38	73.8 Å²	73.8	20%	0.199	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.6	175	-85.8	170.8	0	0	0	112.8	F36 Y37 E42 L262	F36-L40 HydrophobicContact CD1-CD1 3.93Å; F36-L40 HydrophobicContact CD1-CG 4.42Å; F36-L40 HydrophobicContact CE1-CD1 3.41Å; F36-L40 VanDerWaalsContact CE1-CD1 3.41Å; F36-L40 HydrophobicContact CE1-CD2 4.47Å; F36-L40 HydrophobicContact CE1-CG 4.02Å; F36-L40 HydrophobicContact CZ-CD1 3.9Å; F36-L40 HydrophobicContact CZ-CD2 4.12Å; F36-L40 HydrophobicContact CZ-CG 4.08Å; F36-L40 WeakPolarHBondContact O-CG 3.19Å; F36-L40 PolarHBondContact O-N 3.31Å; Y37-L40 HydrophobicContact CD1-CD1 3.47Å; Y37-L40 VanDerWaalsContact CD1-CD1 3.47Å; Y37-L40 HydrophobicContact CE1-CD1 3.63Å; Y37-L40 PolarHBondContact O-N 2.78Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-L262 HydrophobicContact CD2-CB 4.34Å; L40-L262 WeakPolarHBondContact CD2-O 3.33Å
41	N	53.6	Low	53.1	Low	103 Å²	103	76 Å²	76	55%	0.551	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.1	171.5	-56.5	-53.5	0	0	0	112.7	D38 S39	D38-N41 PolarHBondContact O-N 3.41Å; D38-N41 PolarHBondContact O-ND2 3.18Å; S39-N41 PolarHBondContact O-N 3.21Å; S39-N41 VanDerWaalsContact O-N 3.16Å
42	E	50.9	Low	52.3	Low	98 Å²	98	77.8 Å²	77.8	46%	0.458	37%	0.374	S	S	.	.	S	Bend	trans	-93.3	101.4	178.1	-60.2	-172.9	172.1	0	0	110.5	S39 L40 G44 R45	S39-E42 WeakPolarHBondContact O-CB 3.38Å; S39-E42 PolarHBondContact O-N 3.06Å; L40-E42 VanDerWaalsContact C-N 3.32Å; E42-G44 PolarHBondContact O-N 2.96Å; E42-R45 IonicContact OE2-CZ 3.2Å; E42-R45 IonicContact OE2-NE 2.72Å; E42-R45 IonicContact OE2-NH1 2.7Å; E42-R45 PolarHBondContact OE2-NH1 3.48Å
43	Y	43.7	Very low	51.6	Low	223 Å²	223	79.7 Å²	79.7	88%	0.875	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	130.2	177.3	-69.6	-85.2	0	0	0	112.1
44	G	42.1	Very low	50.8	Low	66 Å²	66	80.4 Å²	80.4	68%	0.68	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.1	-1	162.4	0	0	0	0	0	117	E42	E42-G44 PolarHBondContact O-N 2.96Å
45	R	43	Very low	49.9	Very low	108 Å²	108	84.9 Å²	84.9	41%	0.408	41%	0.414	S	S	.	.			trans	-81.6	118.7	169.7	-83.2	178.5	167.4	178.1	-12.2	110.5	E42 Y47	E42-R45 IonicContact OE2-CZ 3.2Å; E42-R45 IonicContact OE2-NE 2.72Å; E42-R45 IonicContact OE2-NH1 2.7Å; E42-R45 PolarHBondContact OE2-NH1 3.48Å; R45-Y47 HydrophobicContact CB-CE1 3.92Å; R45-Y47 HydrophobicContact CB-CE2 3.96Å; R45-Y47 WeakPolarHBondContact O-CD2 3.45Å; R45-Y47 WeakPolarHBondContact O-CE2 3.47Å
46	E	45.2	Very low	49.2	Very low	120 Å²	120	89.8 Å²	89.8	56%	0.561	44%	0.439	S	S	*	.			trans	-87.1	109.6	166.7	-71.9	-175.1	-175.9	0	0	108.2	A268 R271	E46-A268 WeakPolarHBondContact OE1-CB 3.41Å; E46-R271 IonicContact OE1-NH2 2.75Å; E46-R271 PolarHBondContact OE1-NH2 2.83Å
47	Y	48.2	Very low	48.6	Very low	48 Å²	48	90.6 Å²	90.6	19%	0.188	44%	0.444	C	S	.	.			trans	-81.3	135.9	-176.6	-59.4	-80.3	0	0	0	111.6	S39 R45 A263	S39-Y47 VanDerWaalsContact CB-OH 3.28Å; S39-Y47 WeakPolarHBondContact CB-OH 3.49Å; S39-Y47 PolarHBondContact O-OH 2.95Å; S39-Y47 PolarHBondContact OG-OH 2.93Å; R45-Y47 HydrophobicContact CB-CE1 3.92Å; R45-Y47 HydrophobicContact CB-CE2 3.96Å; R45-Y47 WeakPolarHBondContact O-CD2 3.45Å; R45-Y47 WeakPolarHBondContact O-CE2 3.47Å; Y47-A263 HydrophobicContact CD2-CB 4.35Å
48	R	42	Very low	47.9	Very low	222 Å²	222	96.8 Å²	96.8	84%	0.838	47%	0.473	S	S	*	.			trans	-110.5	137.8	171.1	-91.9	-174.5	172.5	-175	-1.6	110.4
49	F	44.1	Very low	47.2	Very low	50 Å²	50	92.7 Å²	92.7	22%	0.219	45%	0.452	C	S	.	.			trans	-95.2	131.8	179.5	-66.8	-100.4	0	0	0	109.6	F24 F101 E105	F24-F49 HydrophobicContact CD2-CD1 4Å; F24-F49 HydrophobicContact CD2-CE1 4.5Å; F24-F49 HydrophobicContact CE1-CD1 4.44Å; F24-F49 HydrophobicContact CE1-CE1 4.18Å; F24-F49 HydrophobicContact CE2-CB 4.44Å; F24-F49 AromaticContact CE2-CD1 3.09Å; F24-F49 HydrophobicContact CE2-CD1 3.09Å; F24-F49 AromaticContact CE2-CE1 3.29Å; F24-F49 HydrophobicContact CE2-CE1 3.29Å; F24-F49 AromaticContact CE2-CG 3.85Å; F24-F49 HydrophobicContact CE2-CG 3.85Å; F24-F49 HydrophobicContact CE2-CZ 4.14Å; F24-F49 AromaticContact CZ-CD1 3.38Å; F24-F49 HydrophobicContact CZ-CD1 3.38Å; F24-F49 AromaticContact CZ-CE1 3.07Å; F24-F49 HydrophobicContact CZ-CE1 3.07Å; F24-F49 HydrophobicContact CZ-CG 4.47Å; F24-F49 AromaticContact CZ-CZ 3.98Å; F24-F49 HydrophobicContact CZ-CZ 3.98Å; F49-F101 AromaticContact CE1-CD1 3.9Å; F49-F101 HydrophobicContact CE1-CD1 3.9Å; F49-F101 AromaticContact CE1-CE1 3.4Å; F49-F101 HydrophobicContact CE1-CE1 3.4Å; F49-F101 VanDerWaalsContact CE1-CE1 3.4Å; F49-F101 HydrophobicContact CE1-CZ 4.2Å; F49-F101 AromaticContact CZ-CE1 3.91Å; F49-F101 HydrophobicContact CZ-CE1 3.91Å; F49-E105 WeakPolarHBondContact CB-OE2 3.45Å; F49-E105 HydrophobicContact CD1-CG 4.19Å
50	E	42.6	Very low	46.9	Very low	130 Å²	130	93.4 Å²	93.4	61%	0.607	45%	0.454	S	S	*	.			trans	-99.3	121.6	170.6	-68.3	-152.2	166.5	0	0	110.4	N52	E50-N52 PolarHBondContact O-N 2.79Å
51	P	41.5	Very low	46.4	Very low	59 Å²	59	95.4 Å²	95.4	38%	0.383	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-12	-172.1	-25.7	32.3	0	0	0	116.8	D107	P51-D107 WeakPolarHBondContact CB-OD2 3.03Å; P51-D107 WeakPolarHBondContact CG-OD2 3.11Å
52	N	44.5	Very low	46.4	Very low	108 Å²	108	91.5 Å²	91.5	58%	0.578	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-17.5	-167.8	-70.9	-37.4	0	0	0	114.6	E50 Y54 K55	E50-N52 PolarHBondContact O-N 2.79Å; N52-Y54 VanDerWaalsContact C-N 3.26Å; N52-Y54 PolarHBondContact O-N 2.86Å; N52-K55 PolarHBondContact OD1-NZ 3.3Å
53	G	47.2	Very low	46.7	Very low	41 Å²	41	88.5 Å²	88.5	42%	0.423	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.1	-173.5	0	0	0	0	0	115.2
54	Y	47.7	Very low	47.3	Very low	14 Å²	14	82.1 Å²	82.1	6%	0.055	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	0.6	-166.6	-72.5	-63.8	0	0	0	116.5	F24 Y29 A32 N52 E56 V57 F101	F24-Y54 HydrophobicContact CB-CE2 4.04Å; F24-Y54 HydrophobicContact CD1-CE1 4.2Å; F24-Y54 AromaticContact CD1-CE2 3.31Å; F24-Y54 HydrophobicContact CD1-CE2 3.31Å; F24-Y54 AromaticContact CD1-CZ 3.11Å; F24-Y54 WeakPolarHBondContact CD1-OH 3.39Å; F24-Y54 HydrophobicContact CD2-CE2 4.34Å; F24-Y54 AromaticContact CE1-CE2 3.74Å; F24-Y54 HydrophobicContact CE1-CE2 3.74Å; F24-Y54 AromaticContact CE1-CZ 3.56Å; F24-Y54 WeakPolarHBondContact CE1-OH 3.44Å; F24-Y54 AromaticContact CG-CE2 3.62Å; F24-Y54 HydrophobicContact CG-CE2 3.62Å; F24-Y54 AromaticContact CG-CZ 3.86Å; F24-Y54 HydrophobicContact CZ-CE2 4.48Å; Y29-Y54 AromaticContact CD1-CD1 3.83Å; Y29-Y54 HydrophobicContact CD1-CD1 3.83Å; Y29-Y54 AromaticContact CD1-CE1 3.61Å; Y29-Y54 HydrophobicContact CD1-CE1 3.61Å; Y29-Y54 HydrophobicContact CD1-CG 4.5Å; Y29-Y54 AromaticContact CE1-CD1 3.52Å; Y29-Y54 HydrophobicContact CE1-CD1 3.52Å; Y29-Y54 HydrophobicContact CE1-CD2 4.37Å; Y29-Y54 AromaticContact CE1-CE1 3.75Å; Y29-Y54 HydrophobicContact CE1-CE1 3.75Å; Y29-Y54 AromaticContact CE1-CG 3.8Å; Y29-Y54 HydrophobicContact CE1-CG 3.8Å; Y29-Y54 HydrophobicContact CG-CE1 4.38Å; A32-Y54 HydrophobicContact CB-CE1 4.21Å; A32-Y54 WeakPolarHBondContact CB-OH 3.3Å; N52-Y54 VanDerWaalsContact C-N 3.26Å; N52-Y54 PolarHBondContact O-N 2.86Å; Y54-E56 PolarHBondContact O-N 3.15Å; Y54-V57 HydrophobicContact CD1-CB 4.32Å; Y54-V57 HydrophobicContact CD1-CG2 3.81Å; Y54-V57 PolarHBondContact O-N 3.34Å; Y54-F101 WeakPolarHBondContact OH-CD2 3.44Å
55	K	47	Very low	48.2	Very low	139 Å²	139	80.2 Å²	80.2	60%	0.604	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.3	-171.8	-72.5	176.9	176.5	165.8	0	113.9	N52	N52-K55 PolarHBondContact OD1-NZ 3.3Å
56	E	48.4	Very low	48.9	Very low	190 Å²	190	79.2 Å²	79.2	89%	0.888	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	2.1	-175.3	-58.4	-172.3	173	0	0	113.4	Y54 E58	Y54-E56 PolarHBondContact O-N 3.15Å; E56-E58 PolarHBondContact O-N 3.1Å
57	V	49	Very low	49.7	Very low	22 Å²	22	76.7 Å²	76.7	13%	0.133	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-77.5	127.2	-176.2	176.7	0	0	0	0	110.8	Y29 Y54 V59	Y29-V57 HydrophobicContact CD2-CB 4.19Å; Y29-V57 HydrophobicContact CD2-CG1 3.39Å; Y29-V57 HydrophobicContact CE2-CB 3.95Å; Y29-V57 HydrophobicContact CE2-CG1 3.67Å; Y29-V57 HydrophobicContact CG-CG1 4.07Å; Y54-V57 HydrophobicContact CD1-CB 4.32Å; Y54-V57 HydrophobicContact CD1-CG2 3.81Å; Y54-V57 PolarHBondContact O-N 3.34Å; V57-V59 PolarHBondContact O-N 3.36Å
58	E	48.3	Very low	50.5	Low	133 Å²	133	74.7 Å²	74.7	62%	0.621	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-61.1	130.3	176	-69.4	-167.6	152.7	0	0	111.4	E56	E56-E58 PolarHBondContact O-N 3.1Å
59	V	48.8	Very low	51.5	Low	22 Å²	22	64.2 Å²	64.2	13%	0.133	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-87.7	120.3	177	175.5	0	0	0	0	109.1	Y29 V57 M115 Q119	Y29-V59 HydrophobicContact CE2-CG2 4.27Å; V57-V59 PolarHBondContact O-N 3.36Å; V59-M115 HydrophobicContact CB-CE 4.43Å; V59-M115 HydrophobicContact CG1-CE 4.45Å; V59-M115 HydrophobicContact CG2-CE 3.94Å; V59-M115 HydrophobicContact CG2-SD 3.84Å; V59-Q119 HydrophobicContact CG1-CG 4.35Å
60	Q	50.6	Low	52.8	Low	28 Å²	28	62.5 Å²	62.5	13%	0.131	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74.2	144.3	177.4	-67.2	-174.1	4	0	0	112.2	Y30 I62	Y30-Q60 HydrophobicContact CE2-CB 4.43Å; Y30-Q60 HydrophobicContact CE2-CG 4.03Å; Y30-Q60 VanDerWaalsContact CE2-NE2 3.33Å; Y30-Q60 PolarHBondContact OH-OE1 3.31Å; Y30-Q60 VanDerWaalsContact OH-OE1 3.13Å; Q60-I62 PolarHBondContact O-N 3.28Å
61	Q	46.9	Very low	53.9	Low	80 Å²	80	56.4 Å²	56.4	37%	0.374	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-68.7	121.9	170.9	-173.8	-179.4	12.3	0	0	110.1	H123	Q61-H123 HydrophobicContact CB-CB 4.03Å; Q61-H123 HydrophobicContact CG-CB 4.32Å
62	I	53.1	Low	55.1	Low	20 Å²	20	53.8 Å²	53.8	10%	0.103	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-91.9	135.9	168.6	-63.3	171.7	0	0	0	107.4	Q60 F64 F95 L99	Q60-I62 PolarHBondContact O-N 3.28Å; I62-F64 PolarHBondContact O-N 2.85Å; I62-F95 HydrophobicContact CB-CE2 4.21Å; I62-F95 HydrophobicContact CD1-CD2 4.47Å; I62-F95 HydrophobicContact CD1-CE2 3.62Å; I62-F95 HydrophobicContact CD1-CZ 4.17Å; I62-F95 HydrophobicContact CG1-CE2 3.78Å; I62-F95 HydrophobicContact CG2-CE2 3.44Å; I62-F95 VanDerWaalsContact CG2-CE2 3.44Å; I62-F95 HydrophobicContact CG2-CZ 3.68Å; I62-L99 HydrophobicContact CD1-CD2 3.21Å; I62-L99 HydrophobicContact CD1-CG 3.86Å
63	P	57.2	Low	56.3	Low	35 Å²	35	48.7 Å²	48.7	23%	0.227	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-53.5	119.2	170.4	-27.7	37.2	0	0	0	110.2	I65 I135 L139	P63-I65 PolarHBondContact O-N 2.9Å; P63-I65 VanDerWaalsContact O-N 3.17Å; P63-I135 HydrophobicContact CB-CG2 4.38Å; P63-I135 HydrophobicContact CG-CB 4.45Å; P63-I135 HydrophobicContact CG-CG2 3.7Å; P63-L139 HydrophobicContact CB-CD1 3.64Å; P63-L139 HydrophobicContact CG-CD1 4.26Å
64	F	56.6	Low	57.4	Low	90 Å²	90	46.9 Å²	46.9	40%	0.395	24%	0.236	S	C	.	.			trans	-69.9	114	177.4	179.5	-99.6	0	0	0	109.1	I62 S66 F120 N245	I62-F64 PolarHBondContact O-N 2.85Å; F64-S66 PolarHBondContact O-N 3.35Å; F64-F120 HydrophobicContact CD2-CB 4.07Å; F64-F120 AromaticContact CD2-CD1 3.83Å; F64-F120 HydrophobicContact CD2-CD1 3.83Å; F64-F120 HydrophobicContact CD2-CG 4.4Å; F64-F120 HydrophobicContact CE2-CB 4.01Å; F64-F120 AromaticContact CE2-CD1 3.94Å; F64-F120 HydrophobicContact CE2-CD1 3.94Å; F64-F120 HydrophobicContact CE2-CG 4.29Å; F64-N245 WeakPolarHBondContact CE2-OD1 3.28Å; F64-N245 WeakPolarHBondContact CZ-OD1 3.21Å
65	I	59.3	Low	58.4	Low	26 Å²	26	46.8 Å²	46.8	13%	0.133	24%	0.236	C	C	.	.			trans	-84.2	103.2	176.7	-51.9	172.9	0	0	0	108.2	P63 D67 I70 A71 Y74 L139	P63-I65 PolarHBondContact O-N 2.9Å; P63-I65 VanDerWaalsContact O-N 3.17Å; I65-D67 VanDerWaalsContact C-N 3.26Å; I65-D67 WeakPolarHBondContact CG2-O 3.38Å; I65-D67 PolarHBondContact O-N 3.18Å; I65-I70 HydrophobicContact CG2-CB 3.54Å; I65-I70 HydrophobicContact CG2-CG2 3.45Å; I65-I70 VanDerWaalsContact CG2-CG2 3.45Å; I65-A71 HydrophobicContact CB-CB 4.12Å; I65-A71 HydrophobicContact CD1-CB 4.21Å; I65-A71 HydrophobicContact CG2-CB 3.97Å; I65-Y74 HydrophobicContact CD1-CD1 3.91Å; I65-Y74 HydrophobicContact CD1-CG 4.12Å; I65-L139 HydrophobicContact CD1-CD2 3.59Å; I65-L139 HydrophobicContact CG1-CD1 4.26Å; I65-L139 HydrophobicContact CG1-CD2 3.85Å
66	S	58.4	Low	59.3	Low	86 Å²	86	40.3 Å²	40.3	60%	0.601	21%	0.208	S	C	*	.			trans	-73.9	-14	-177.6	59.6	0	0	0	0	114.5	F64 P244	F64-S66 PolarHBondContact O-N 3.35Å; S66-P244 WeakPolarHBondContact O-CB 3.25Å; S66-P244 WeakPolarHBondContact O-CG 3.12Å
67	D	62.9	Low	60.3	Low	68 Å²	68	31.6 Å²	31.6	36%	0.364	17%	0.167	S	C	.	.			trans	-106.6	118.7	177.5	-169.7	-41.7	0	0	0	110.1	I65 S69 I70 A71	I65-D67 VanDerWaalsContact C-N 3.26Å; I65-D67 WeakPolarHBondContact CG2-O 3.38Å; I65-D67 PolarHBondContact O-N 3.18Å; D67-S69 PolarHBondContact O-N 2.93Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.28Å; D67-S69 PolarHBondContact OD1-N 3.13Å; D67-I70 HydrophobicContact CB-CB 4.08Å; D67-I70 HydrophobicContact CB-CD1 3.69Å; D67-I70 HydrophobicContact CB-CG1 3.78Å; D67-I70 PolarHBondContact O-N 3.28Å; D67-I70 VanDerWaalsContact O-N 3.07Å; D67-A71 PolarHBondContact O-N 2.91Å
68	A	63.6	Low	61.3	Low	5 Å²	5	30.6 Å²	30.6	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-54.5	-35.7	177.9	0	0	0	0	0	112.8	A71 V72 A247	A68-A71 PolarHBondContact O-N 3.35Å; A68-V72 VanDerWaalsContact O-CG2 3.24Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 3.45Å; A68-A247 HydrophobicContact CB-CB 3.47Å; A68-A247 VanDerWaalsContact CB-CB 3.47Å
69	S	64.9	Low	62	Low	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-71.5	-36.1	178.2	-68	0	0	0	0	112.9	D67 A71 V72 A73 R206 C240	D67-S69 PolarHBondContact O-N 2.93Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.28Å; D67-S69 PolarHBondContact OD1-N 3.13Å; S69-A71 VanDerWaalsContact C-N 3.32Å; S69-V72 PolarHBondContact O-N 2.99Å; S69-A73 WeakPolarHBondContact O-CB 3.43Å; S69-A73 PolarHBondContact O-N 3.42Å; S69-R206 PolarHBondContact OG-NH1 3.4Å; S69-C240 WeakPolarHBondContact OG-CB 3.32Å; S69-C240 PolarHBondContact OG-SG 2.91Å
70	I	69.6	Low	62.7	Low	14 Å²	14	23.6 Å²	23.6	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-42	172.7	-61.7	176	0	0	0	109.2	I65 D67 V72 A73 Y74 L139 I142 E143 F203	I65-I70 HydrophobicContact CG2-CB 3.54Å; I65-I70 HydrophobicContact CG2-CG2 3.45Å; I65-I70 VanDerWaalsContact CG2-CG2 3.45Å; D67-I70 HydrophobicContact CB-CB 4.08Å; D67-I70 HydrophobicContact CB-CD1 3.69Å; D67-I70 HydrophobicContact CB-CG1 3.78Å; D67-I70 PolarHBondContact O-N 3.28Å; D67-I70 VanDerWaalsContact O-N 3.07Å; I70-V72 VanDerWaalsContact C-N 3.34Å; I70-V72 PolarHBondContact O-N 3.45Å; I70-A73 PolarHBondContact O-N 2.85Å; I70-Y74 WeakPolarHBondContact O-CB 3.24Å; I70-Y74 PolarHBondContact O-N 3.46Å; I70-L139 HydrophobicContact CG2-CD2 4.07Å; I70-I142 HydrophobicContact CB-CG2 4.35Å; I70-I142 HydrophobicContact CG1-CG2 4.43Å; I70-I142 HydrophobicContact CG2-CG2 3.83Å; I70-E143 HydrophobicContact CD1-CG 3.55Å; I70-F203 HydrophobicContact CG1-CZ 4.43Å
71	A	66.6	Low	63.4	Low	3 Å²	3	22.4 Å²	22.4	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-42.2	178.7	0	0	0	0	0	111.8	I65 D67 A68 S69 F75	I65-A71 HydrophobicContact CB-CB 4.12Å; I65-A71 HydrophobicContact CD1-CB 4.21Å; I65-A71 HydrophobicContact CG2-CB 3.97Å; D67-A71 PolarHBondContact O-N 2.91Å; A68-A71 PolarHBondContact O-N 3.35Å; S69-A71 VanDerWaalsContact C-N 3.32Å; A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.68Å
72	V	66.4	Low	64.1	Low	4 Å²	4	18.7 Å²	18.7	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-48.2	175.3	171.2	0	0	0	0	111.7	A68 S69 I70 Y74 F75 I76 L239	A68-V72 VanDerWaalsContact O-CG2 3.24Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 3.45Å; S69-V72 PolarHBondContact O-N 2.99Å; I70-V72 VanDerWaalsContact C-N 3.34Å; I70-V72 PolarHBondContact O-N 3.45Å; V72-Y74 VanDerWaalsContact C-N 3.3Å; V72-Y74 PolarHBondContact O-N 2.83Å; V72-F75 PolarHBondContact O-N 2.73Å; V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 VanDerWaalsContact O-CG1 3.28Å; V72-I76 WeakPolarHBondContact O-CG1 2.93Å; V72-I76 PolarHBondContact O-N 2.91Å; V72-L239 HydrophobicContact CG2-CB 4.26Å; V72-L239 HydrophobicContact CG2-CD2 3.36Å; V72-L239 HydrophobicContact CG2-CG 3.57Å
73	A	70.1	Confident	64.3	Low	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-45	178.3	0	0	0	0	0	111.3	S69 I70 I76 R77 I142 V202 F203	S69-A73 WeakPolarHBondContact O-CB 3.43Å; S69-A73 PolarHBondContact O-N 3.42Å; I70-A73 PolarHBondContact O-N 2.85Å; A73-I76 PolarHBondContact O-N 3.33Å; A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.35Å; A73-I142 HydrophobicContact CB-CG2 3.76Å; A73-V202 HydrophobicContact CB-CG1 3.79Å; A73-F203 HydrophobicContact CB-CE2 4.1Å; A73-F203 HydrophobicContact CB-CZ 3.83Å
74	Y	70.4	Confident	64.3	Low	4 Å²	4	19.3 Å²	19.3	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-45	176.5	-179.1	-104	0	0	0	111.7	I65 I70 V72 R77 Q78 F95 I135 E138 L139 I142	I65-Y74 HydrophobicContact CD1-CD1 3.91Å; I65-Y74 HydrophobicContact CD1-CG 4.12Å; I70-Y74 WeakPolarHBondContact O-CB 3.24Å; I70-Y74 PolarHBondContact O-N 3.46Å; V72-Y74 VanDerWaalsContact C-N 3.3Å; V72-Y74 PolarHBondContact O-N 2.83Å; Y74-R77 WeakPolarHBondContact O-CB 3.34Å; Y74-R77 PolarHBondContact O-N 3.23Å; Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CE1-CG 4.04Å; Y74-Q78 HydrophobicContact CE2-CG 4.36Å; Y74-Q78 WeakPolarHBondContact O-CG 3.31Å; Y74-Q78 PolarHBondContact O-N 3.49Å; Y74-F95 HydrophobicContact CD1-CE1 4.28Å; Y74-F95 AromaticContact CE1-CD1 3.68Å; Y74-F95 HydrophobicContact CE1-CD1 3.68Å; Y74-F95 AromaticContact CE1-CE1 3.4Å; Y74-F95 HydrophobicContact CE1-CE1 3.4Å; Y74-F95 HydrophobicContact CE1-CG 4.43Å; Y74-F95 AromaticContact CE1-CZ 3.88Å; Y74-F95 HydrophobicContact CE1-CZ 3.88Å; Y74-I135 HydrophobicContact CE2-CG2 4.42Å; Y74-I135 WeakPolarHBondContact OH-CD1 3.4Å; Y74-I135 WeakPolarHBondContact OH-CG1 3.27Å; Y74-E138 HydrophobicContact CD2-CB 4.43Å; Y74-E138 HydrophobicContact CE2-CB 4.11Å; Y74-E138 VanDerWaalsContact CE2-OE2 3.24Å; Y74-E138 WeakPolarHBondContact CE2-OE2 3.31Å; Y74-L139 HydrophobicContact CD2-CD2 3.83Å; Y74-L139 HydrophobicContact CE2-CD2 4.33Å; Y74-L139 HydrophobicContact CG-CD2 4.07Å; Y74-I142 HydrophobicContact CD2-CD1 3.82Å; Y74-I142 HydrophobicContact CG-CD1 4.25Å
75	F	68.1	Low	64.4	Low	12 Å²	12	17.5 Å²	17.5	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.4	173.1	-96.4	0	0	0	113.2	A71 V72 R77 Q78 S79 V251 L254 S255 L317	A71-F75 WeakPolarHBondContact O-CB 3.39Å; A71-F75 PolarHBondContact O-N 2.68Å; V72-F75 PolarHBondContact O-N 2.73Å; F75-R77 VanDerWaalsContact C-N 3.29Å; F75-R77 PolarHBondContact O-N 2.64Å; F75-Q78 PolarHBondContact O-N 2.77Å; F75-S79 VanDerWaalsContact CE1-OG 3.26Å; F75-S79 WeakPolarHBondContact CE1-OG 3.36Å; F75-S79 WeakPolarHBondContact CE2-OG 3.26Å; F75-S79 WeakPolarHBondContact CZ-OG 3.47Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 2.9Å; F75-S79 PolarHBondContact O-OG 3.34Å; F75-V251 HydrophobicContact CB-CB 4.39Å; F75-V251 HydrophobicContact CB-CG1 3.68Å; F75-V251 HydrophobicContact CB-CG2 3.86Å; F75-V251 HydrophobicContact CD2-CB 4.5Å; F75-V251 HydrophobicContact CD2-CG1 3.7Å; F75-V251 HydrophobicContact CG-CB 4.48Å; F75-V251 HydrophobicContact CG-CG1 3.9Å; F75-V251 HydrophobicContact CG-CG2 4.14Å; F75-L254 HydrophobicContact CD1-CD2 4.1Å; F75-L254 HydrophobicContact CE1-CD2 3.16Å; F75-L254 HydrophobicContact CE1-CG 3.92Å; F75-L254 HydrophobicContact CE2-CB 4.27Å; F75-L254 HydrophobicContact CE2-CD2 4.14Å; F75-L254 HydrophobicContact CE2-CG 4.04Å; F75-L254 HydrophobicContact CZ-CB 4.05Å; F75-L254 HydrophobicContact CZ-CD2 3.19Å; F75-L254 HydrophobicContact CZ-CG 3.36Å; F75-S255 WeakPolarHBondContact CE2-OG 3.43Å; F75-L317 HydrophobicContact CZ-CD1 4.33Å
76	I	67.2	Low	64	Low	3 Å²	3	24.5 Å²	24.5	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.4	-65.3	166.8	0	0	0	109.2	V72 A73 S79 L80 L198 E199 F232	V72-I76 HydrophobicContact CG1-CD1 3.73Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 VanDerWaalsContact O-CG1 3.28Å; V72-I76 WeakPolarHBondContact O-CG1 2.93Å; V72-I76 PolarHBondContact O-N 2.91Å; A73-I76 PolarHBondContact O-N 3.33Å; I76-S79 WeakPolarHBondContact O-CB 3.44Å; I76-S79 PolarHBondContact O-N 3.42Å; I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 WeakPolarHBondContact O-CB 3.4Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.32Å; I76-L198 HydrophobicContact CD1-CD2 4.22Å; I76-L198 HydrophobicContact CD1-CG 4.31Å; I76-E199 HydrophobicContact CB-CB 4.48Å; I76-E199 HydrophobicContact CB-CG 4.29Å; I76-E199 HydrophobicContact CG2-CB 3.68Å; I76-E199 HydrophobicContact CG2-CG 3.95Å; I76-F232 HydrophobicContact CD1-CE1 4.02Å; I76-F232 HydrophobicContact CD1-CZ 4.35Å; I76-F232 HydrophobicContact CG1-CE1 4.49Å; I76-F232 HydrophobicContact CG1-CZ 4.34Å
77	R	69.1	Low	63.5	Low	6 Å²	6	28.4 Å²	28.4	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-57.6	-49.2	175.2	-177	173.8	-67.8	-161.4	-15.8	112.2	A73 Y74 F75 S79 L80 C81 S141 E199	A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.35Å; Y74-R77 WeakPolarHBondContact O-CB 3.34Å; Y74-R77 PolarHBondContact O-N 3.23Å; F75-R77 VanDerWaalsContact C-N 3.29Å; F75-R77 PolarHBondContact O-N 2.64Å; R77-S79 VanDerWaalsContact C-N 3.3Å; R77-S79 PolarHBondContact O-N 3.32Å; R77-L80 WeakPolarHBondContact O-CB 3.22Å; R77-L80 PolarHBondContact O-N 3.36Å; R77-C81 PolarHBondContact O-N 3.35Å; R77-C81 PolarHBondContact O-SG 2.98Å; R77-S141 PolarHBondContact NH1-OG 3.23Å; R77-E199 HydrophobicContact CB-CG 3.98Å; R77-E199 IonicContact CZ-OE1 2.68Å; R77-E199 IonicContact NE-OE1 2.7Å; R77-E199 PolarHBondContact NE-OE1 3.11Å; R77-E199 IonicContact NH2-OE1 2.74Å; R77-E199 PolarHBondContact NH2-OE1 3.06Å; R77-E199 IonicContact NH2-OE2 2.68Å
78	Q	68.4	Low	62.8	Low	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-35.9	178.2	-62.2	-43.9	-40.6	0	0	112.6	Y74 F75 L80 C81 L82 A92 F95 P96 E138	Y74-Q78 HydrophobicContact CD1-CG 4.4Å; Y74-Q78 HydrophobicContact CE1-CG 4.04Å; Y74-Q78 HydrophobicContact CE2-CG 4.36Å; Y74-Q78 WeakPolarHBondContact O-CG 3.31Å; Y74-Q78 PolarHBondContact O-N 3.49Å; F75-Q78 PolarHBondContact O-N 2.77Å; Q78-L80 VanDerWaalsContact C-N 3.33Å; Q78-C81 PolarHBondContact O-N 3.03Å; Q78-L82 WeakPolarHBondContact O-CB 3.4Å; Q78-L82 PolarHBondContact O-N 3.38Å; Q78-A92 PolarHBondContact OE1-O 3.28Å; Q78-F95 HydrophobicContact CG-CD1 4.43Å; Q78-P96 HydrophobicContact CB-CG 3.8Å; Q78-P96 HydrophobicContact CG-CG 4.39Å; Q78-E138 VanDerWaalsContact NE2-CD 3.29Å; Q78-E138 PolarHBondContact NE2-OE1 2.74Å; Q78-E138 VanDerWaalsContact NE2-OE1 3.17Å; Q78-E138 PolarHBondContact NE2-OE2 3.47Å
79	S	64.4	Low	62.2	Low	4 Å²	4	28.9 Å²	28.9	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-39	174.9	-58.6	0	0	0	0	111.7	F75 I76 R77 L82 I83	F75-S79 VanDerWaalsContact CE1-OG 3.26Å; F75-S79 WeakPolarHBondContact CE1-OG 3.36Å; F75-S79 WeakPolarHBondContact CE2-OG 3.26Å; F75-S79 WeakPolarHBondContact CZ-OG 3.47Å; F75-S79 WeakPolarHBondContact O-CB 3.48Å; F75-S79 PolarHBondContact O-N 2.9Å; F75-S79 PolarHBondContact O-OG 3.34Å; I76-S79 WeakPolarHBondContact O-CB 3.44Å; I76-S79 PolarHBondContact O-N 3.42Å; R77-S79 VanDerWaalsContact C-N 3.3Å; R77-S79 PolarHBondContact O-N 3.32Å; S79-L82 WeakPolarHBondContact O-CB 3.5Å; S79-L82 PolarHBondContact O-N 3.33Å; S79-I83 WeakPolarHBondContact O-CB 3.44Å; S79-I83 VanDerWaalsContact O-CG1 3.25Å; S79-I83 WeakPolarHBondContact O-CG1 3.24Å; S79-I83 PolarHBondContact O-N 3.07Å
80	L	62.8	Low	61.8	Low	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-47.7	173.5	-75.9	169	0	0	0	111.9	I76 R77 Q78 L82 I83 C84 L195 M196 E199	I76-L80 HydrophobicContact CG2-CD1 4.03Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 WeakPolarHBondContact O-CB 3.4Å; I76-L80 VanDerWaalsContact O-CG 3.32Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.32Å; R77-L80 WeakPolarHBondContact O-CB 3.22Å; R77-L80 PolarHBondContact O-N 3.36Å; Q78-L80 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 3.43Å; L80-I83 PolarHBondContact O-N 3.19Å; L80-I83 VanDerWaalsContact O-N 3.08Å; L80-C84 VanDerWaalsContact O-CB 3.24Å; L80-C84 WeakPolarHBondContact O-CB 3.47Å; L80-C84 PolarHBondContact O-N 2.78Å; L80-C84 PolarHBondContact O-SG 2.72Å; L80-L195 HydrophobicContact CD2-CB 3.47Å; L80-L195 VanDerWaalsContact CD2-CB 3.47Å; L80-L195 HydrophobicContact CD2-CD1 4.41Å; L80-L195 HydrophobicContact CG-CB 4.15Å; L80-M196 HydrophobicContact CD1-CB 4.31Å; L80-M196 HydrophobicContact CD1-CG 3.89Å; L80-M196 HydrophobicContact CD2-CB 4.41Å; L80-M196 HydrophobicContact CD2-CG 3.51Å; L80-M196 HydrophobicContact CG-CG 4.24Å; L80-E199 HydrophobicContact CD1-CB 3.66Å; L80-E199 HydrophobicContact CD1-CG 4.02Å
81	C	64.8	Low	61.3	Low	3 Å²	3	33 Å²	33	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-52.9	-44.4	173.8	-66.3	0	0	0	0	110.6	R77 Q78 N85 L179	R77-C81 PolarHBondContact O-N 3.35Å; R77-C81 PolarHBondContact O-SG 2.98Å; Q78-C81 PolarHBondContact O-N 3.03Å; C81-N85 WeakPolarHBondContact O-CB 3.31Å; C81-N85 PolarHBondContact O-N 2.96Å; C81-N85 PolarHBondContact O-ND2 3.41Å; C81-L179 VanDerWaalsContact SG-CD1 3.51Å
82	L	61.4	Low	60.8	Low	2 Å²	2	33 Å²	33	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-40.5	178	-173.9	62	0	0	0	113.4	Y37 Q78 S79 L80 V88 L258 F259 L262 R313	Y37-L82 HydrophobicContact CE1-CD1 3.68Å; Y37-L82 WeakPolarHBondContact OH-CD1 3.44Å; Q78-L82 WeakPolarHBondContact O-CB 3.4Å; Q78-L82 PolarHBondContact O-N 3.38Å; S79-L82 WeakPolarHBondContact O-CB 3.5Å; S79-L82 PolarHBondContact O-N 3.33Å; L80-L82 PolarHBondContact O-N 3.43Å; L82-V88 HydrophobicContact CD1-CG1 3.87Å; L82-L258 HydrophobicContact CD2-CD2 3.63Å; L82-L258 HydrophobicContact CD2-CG 3.94Å; L82-F259 HydrophobicContact CD1-CE1 4.41Å; L82-F259 HydrophobicContact CD2-CE1 3.69Å; L82-F259 HydrophobicContact CD2-CZ 4.1Å; L82-L262 HydrophobicContact CD1-CD1 4.29Å; L82-L262 HydrophobicContact CD2-CD1 3.46Å; L82-L262 VanDerWaalsContact CD2-CD1 3.46Å; L82-L262 HydrophobicContact CG-CD1 4.1Å; L82-R313 WeakPolarHBondContact O-CD 3.35Å; L82-R313 PolarHBondContact O-NH1 3.29Å
83	I	58.2	Low	60.4	Low	21 Å²	21	32.8 Å²	32.8	11%	0.108	17%	0.173	C	C	.	.	H	α-helix	trans	-75.1	-43.7	-178.9	-72	168.1	0	0	0	111.6	S79 L80 A192 L195 R313 L314 L317	S79-I83 WeakPolarHBondContact O-CB 3.44Å; S79-I83 VanDerWaalsContact O-CG1 3.25Å; S79-I83 WeakPolarHBondContact O-CG1 3.24Å; S79-I83 PolarHBondContact O-N 3.07Å; L80-I83 PolarHBondContact O-N 3.19Å; L80-I83 VanDerWaalsContact O-N 3.08Å; I83-A192 HydrophobicContact CG2-CB 4.14Å; I83-L195 HydrophobicContact CD1-CD1 4.18Å; I83-R313 HydrophobicContact CG1-CB 4.22Å; I83-L314 HydrophobicContact CD1-CD1 4.3Å; I83-L317 HydrophobicContact CD1-CB 4.14Å; I83-L317 HydrophobicContact CD1-CD2 3.31Å; I83-L317 HydrophobicContact CD1-CG 4.31Å
84	C	58.2	Low	60	Low	47 Å²	47	33.7 Å²	33.7	32%	0.318	18%	0.177	S	C	.	.	H	α-helix	trans	-91.3	-26.3	-169.1	-63	0	0	0	0	113.5	L80 E86	L80-C84 VanDerWaalsContact O-CB 3.24Å; L80-C84 WeakPolarHBondContact O-CB 3.47Å; L80-C84 PolarHBondContact O-N 2.78Å; L80-C84 PolarHBondContact O-SG 2.72Å; C84-E86 PolarHBondContact O-N 3.5Å
85	N	58.5	Low	59.6	Low	52 Å²	52	34 Å²	34	28%	0.278	18%	0.178	S	C	.	.			trans	-81.7	116.3	178.8	-66.4	-22.6	0	0	0	110.8	C81 K87 R313	C81-N85 WeakPolarHBondContact O-CB 3.31Å; C81-N85 PolarHBondContact O-N 2.96Å; C81-N85 PolarHBondContact O-ND2 3.41Å; N85-K87 PolarHBondContact O-N 3.41Å; N85-R313 PolarHBondContact O-NH1 3.45Å
86	E	49.4	Very low	59.3	Low	174 Å²	174	33.7 Å²	33.7	81%	0.813	18%	0.177	S	C	*	.	S	Bend	trans	-60.5	-38	169	-65.4	-173.9	164.8	0	0	111.2	C84	C84-E86 PolarHBondContact O-N 3.5Å
87	K	48.3	Very low	58.9	Low	167 Å²	167	33.5 Å²	33.5	73%	0.726	18%	0.176	S	C	*	.			trans	-98	108.9	176.7	-65.4	-175.9	-178.7	179.7	0	110.4	N85 S89	N85-K87 PolarHBondContact O-N 3.41Å; K87-S89 PolarHBondContact O-N 3.34Å
88	V	48.6	Very low	58.5	Low	6 Å²	6	33.3 Å²	33.3	4%	0.036	18%	0.176	C	C	.	.			trans	-87	12.7	-176.7	-147	0	0	0	0	113.2	Y37 L82 T90 C93 R313	Y37-V88 HydrophobicContact CD1-CB 3.24Å; Y37-V88 HydrophobicContact CD1-CG1 3Å; Y37-V88 HydrophobicContact CD1-CG2 3.9Å; Y37-V88 HydrophobicContact CD2-CG1 4.2Å; Y37-V88 HydrophobicContact CE1-CB 3.81Å; Y37-V88 HydrophobicContact CE1-CG1 2.99Å; Y37-V88 HydrophobicContact CE1-CG2 4.42Å; Y37-V88 HydrophobicContact CE2-CG1 4.11Å; Y37-V88 HydrophobicContact CG-CB 3.69Å; Y37-V88 HydrophobicContact CG-CG1 3.67Å; L82-V88 HydrophobicContact CD1-CG1 3.87Å; V88-T90 VanDerWaalsContact C-N 3.27Å; V88-T90 PolarHBondContact O-N 2.98Å; V88-C93 HydrophobicContact CG1-CB 3.4Å; V88-C93 VanDerWaalsContact CG1-CB 3.4Å; V88-C93 WeakPolarHBondContact O-CB 3.48Å; V88-R313 VanDerWaalsContact CG2-NH2 3.35Å
89	S	51	Low	58.1	Low	78 Å²	78	33.4 Å²	33.4	55%	0.545	18%	0.176	S	C	.	.			trans	-79.9	2.3	-170.6	67.9	0	0	0	0	114.9	K87	K87-S89 PolarHBondContact O-N 3.34Å
90	T	57.2	Low	57.9	Low	62 Å²	62	33.4 Å²	33.4	38%	0.38	18%	0.177	S	C	.	.	S	Bend	trans	-83.2	140.1	177	58	0	0	0	0	110.5	V88 A92 C93	V88-T90 VanDerWaalsContact C-N 3.27Å; V88-T90 PolarHBondContact O-N 2.98Å; T90-A92 PolarHBondContact O-N 3Å; T90-C93 WeakPolarHBondContact O-CB 3.05Å; T90-C93 PolarHBondContact O-N 3.2Å; T90-C93 PolarHBondContact OG1-SG 3.22Å; T90-C93 VanDerWaalsContact OG1-SG 3.4Å
91	D	59	Low	57.7	Low	41 Å²	41	33.4 Å²	33.4	22%	0.219	18%	0.177	C	C	.	.	H	α-helix	trans	-42.7	-36.7	172.2	-82.5	-7	0	0	0	113.7	C93 K94 F131	D91-C93 VanDerWaalsContact C-N 3.32Å; D91-C93 PolarHBondContact O-N 2.98Å; D91-K94 WeakPolarHBondContact O-CB 3.26Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 VanDerWaalsContact OD1-CE 3.32Å; D91-K94 WeakPolarHBondContact OD1-CE 3.44Å; D91-K94 IonicContact OD1-NZ 2.83Å; D91-K94 PolarHBondContact OD1-NZ 3.49Å; D91-F131 HydrophobicContact CB-CD2 3.85Å; D91-F131 HydrophobicContact CB-CE2 4.45Å; D91-F131 WeakPolarHBondContact O-CE2 2.97Å
92	A	55.8	Low	57.2	Low	1 Å²	1	33.4 Å²	33.4	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-50.4	-48.2	173.6	0	0	0	0	0	113.4	Q78 T90 K94 F95 Y134	Q78-A92 PolarHBondContact OE1-O 3.28Å; T90-A92 PolarHBondContact O-N 3Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 3.37Å; A92-F95 WeakPolarHBondContact O-CB 3.38Å; A92-F95 PolarHBondContact O-N 2.89Å; A92-Y134 HydrophobicContact CB-CD1 4.23Å; A92-Y134 HydrophobicContact CB-CE1 3.24Å; A92-Y134 VanDerWaalsContact CB-CZ 3.43Å; A92-Y134 VanDerWaalsContact CB-OH 3.29Å; A92-Y134 WeakPolarHBondContact CB-OH 3.4Å
93	C	57.8	Low	56.8	Low	1 Å²	1	33.6 Å²	33.6	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-31.6	-176.8	-59.3	0	0	0	0	111	Y37 V88 T90 D91 F95 P96	Y37-C93 VanDerWaalsContact CE2-C 3.49Å; Y37-C93 HydrophobicContact CE2-CB 3.98Å; Y37-C93 WeakPolarHBondContact CE2-O 3.02Å; Y37-C93 PolarHBondContact OH-O 3.27Å; V88-C93 HydrophobicContact CG1-CB 3.4Å; V88-C93 VanDerWaalsContact CG1-CB 3.4Å; V88-C93 WeakPolarHBondContact O-CB 3.48Å; T90-C93 WeakPolarHBondContact O-CB 3.05Å; T90-C93 PolarHBondContact O-N 3.2Å; T90-C93 PolarHBondContact OG1-SG 3.22Å; T90-C93 VanDerWaalsContact OG1-SG 3.4Å; D91-C93 VanDerWaalsContact C-N 3.32Å; D91-C93 PolarHBondContact O-N 2.98Å; C93-F95 PolarHBondContact O-N 3.25Å; C93-P96 WeakPolarHBondContact O-CD 3.48Å
94	K	61.3	Low	56.5	Low	19 Å²	19	33 Å²	33	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-30.1	178.2	-52.7	-176.2	-154.5	-172	0	113.3	Y30 A33 D34 Y37 D91 A92 V97 V98	Y30-K94 HydrophobicContact CD1-CB 3.97Å; Y30-K94 HydrophobicContact CD1-CD 3.94Å; Y30-K94 HydrophobicContact CE1-CB 4.06Å; A33-K94 HydrophobicContact CB-CB 3.86Å; A33-K94 HydrophobicContact CB-CG 4.13Å; D34-K94 WeakPolarHBondContact OD1-CD 3.18Å; D34-K94 WeakPolarHBondContact OD1-CE 3.02Å; D34-K94 IonicContact OD1-NZ 3.23Å; D34-K94 PolarHBondContact OD1-NZ 3.48Å; D34-K94 IonicContact OD2-NZ 3.08Å; D34-K94 PolarHBondContact OD2-NZ 3.47Å; Y37-K94 HydrophobicContact CD2-CG 4.28Å; Y37-K94 HydrophobicContact CE2-CG 4.28Å; D91-K94 WeakPolarHBondContact O-CB 3.26Å; D91-K94 PolarHBondContact O-N 3.47Å; D91-K94 VanDerWaalsContact O-N 3.14Å; D91-K94 VanDerWaalsContact OD1-CE 3.32Å; D91-K94 WeakPolarHBondContact OD1-CE 3.44Å; D91-K94 IonicContact OD1-NZ 2.83Å; D91-K94 PolarHBondContact OD1-NZ 3.49Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 3.37Å; K94-V97 WeakPolarHBondContact O-CB 3.32Å; K94-V97 PolarHBondContact O-N 3.25Å; K94-V98 WeakPolarHBondContact O-CG2 3.44Å; K94-V98 PolarHBondContact O-N 3.08Å
95	F	63	Low	56	Low	11 Å²	11	32.3 Å²	32.3	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-55.8	-54.2	-171.3	175.3	-101.1	0	0	0	114.7	I62 Y74 Q78 A92 C93 V97 V98 L99 F131 I135	I62-F95 HydrophobicContact CB-CE2 4.21Å; I62-F95 HydrophobicContact CD1-CD2 4.47Å; I62-F95 HydrophobicContact CD1-CE2 3.62Å; I62-F95 HydrophobicContact CD1-CZ 4.17Å; I62-F95 HydrophobicContact CG1-CE2 3.78Å; I62-F95 HydrophobicContact CG2-CE2 3.44Å; I62-F95 VanDerWaalsContact CG2-CE2 3.44Å; I62-F95 HydrophobicContact CG2-CZ 3.68Å; Y74-F95 HydrophobicContact CD1-CE1 4.28Å; Y74-F95 AromaticContact CE1-CD1 3.68Å; Y74-F95 HydrophobicContact CE1-CD1 3.68Å; Y74-F95 AromaticContact CE1-CE1 3.4Å; Y74-F95 HydrophobicContact CE1-CE1 3.4Å; Y74-F95 HydrophobicContact CE1-CG 4.43Å; Y74-F95 AromaticContact CE1-CZ 3.88Å; Y74-F95 HydrophobicContact CE1-CZ 3.88Å; Q78-F95 HydrophobicContact CG-CD1 4.43Å; A92-F95 WeakPolarHBondContact O-CB 3.38Å; A92-F95 PolarHBondContact O-N 2.89Å; C93-F95 PolarHBondContact O-N 3.25Å; F95-V97 VanDerWaalsContact C-N 3.25Å; F95-V97 PolarHBondContact O-N 3.08Å; F95-V98 PolarHBondContact O-N 2.82Å; F95-L99 HydrophobicContact CD1-CD1 3.99Å; F95-L99 HydrophobicContact CE1-CD1 3.2Å; F95-L99 HydrophobicContact CE1-CG 4.05Å; F95-L99 HydrophobicContact CE2-CD1 4.14Å; F95-L99 HydrophobicContact CE2-CG 4.19Å; F95-L99 HydrophobicContact CZ-CD1 3.35Å; F95-L99 HydrophobicContact CZ-CD2 4.46Å; F95-L99 HydrophobicContact CZ-CG 3.88Å; F95-L99 PolarHBondContact O-N 3.29Å; F95-F131 HydrophobicContact CB-CE2 4.42Å; F95-F131 HydrophobicContact CB-CZ 4.15Å; F95-F131 AromaticContact CD2-CZ 3.89Å; F95-F131 HydrophobicContact CD2-CZ 3.89Å; F95-F131 HydrophobicContact CG-CZ 4.5Å; F95-I135 HydrophobicContact CD2-CD1 3.69Å; F95-I135 HydrophobicContact CE2-CD1 3.96Å; F95-I135 HydrophobicContact CG-CD1 4.36Å
96	P	59.9	Low	55.4	Low	4 Å²	4	31.1 Å²	31.1	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-74.2	-23.5	-174.4	6.7	12.3	0	0	0	110.2	Q78 C93 L99 G100 S255 F259	Q78-P96 HydrophobicContact CB-CG 3.8Å; Q78-P96 HydrophobicContact CG-CG 4.39Å; C93-P96 WeakPolarHBondContact O-CD 3.48Å; P96-L99 WeakPolarHBondContact O-CB 3.4Å; P96-L99 PolarHBondContact O-N 3.44Å; P96-G100 PolarHBondContact O-N 3.43Å; P96-S255 WeakPolarHBondContact CB-OG 3.46Å; P96-F259 HydrophobicContact CB-CE2 3.46Å; P96-F259 VanDerWaalsContact CB-CE2 3.46Å; P96-F259 HydrophobicContact CB-CZ 3.42Å; P96-F259 VanDerWaalsContact CB-CZ 3.42Å; P96-F259 HydrophobicContact CG-CE2 4.41Å; P96-F259 HydrophobicContact CG-CZ 3.89Å; P96-F259 VanDerWaalsContact O-CD2 3.27Å; P96-F259 WeakPolarHBondContact O-CD2 3.06Å; P96-F259 WeakPolarHBondContact O-CE2 3.49Å
97	V	60.2	Low	55.2	Low	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-51.1	172.3	175.4	0	0	0	0	110.5	A33 F36 Y37 K94 F95 L99 G100 F101 F259	A33-V97 HydrophobicContact CB-CB 4.09Å; A33-V97 HydrophobicContact CB-CG1 3.81Å; F36-V97 HydrophobicContact CD1-CG1 4.27Å; F36-V97 HydrophobicContact CD1-CG2 3.93Å; F36-V97 HydrophobicContact CE1-CG2 4.03Å; Y37-V97 HydrophobicContact CE1-CG2 4.28Å; Y37-V97 HydrophobicContact CE2-CG2 3.66Å; Y37-V97 VanDerWaalsContact CZ-CG2 3.43Å; Y37-V97 WeakPolarHBondContact OH-CG2 3.16Å; K94-V97 WeakPolarHBondContact O-CB 3.32Å; K94-V97 PolarHBondContact O-N 3.25Å; F95-V97 VanDerWaalsContact C-N 3.25Å; F95-V97 PolarHBondContact O-N 3.08Å; V97-L99 VanDerWaalsContact C-N 3.3Å; V97-L99 PolarHBondContact O-N 3.07Å; V97-G100 WeakPolarHBondContact O-CA 3.32Å; V97-G100 PolarHBondContact O-N 2.9Å; V97-F101 HydrophobicContact CG1-CD1 4.44Å; V97-F101 HydrophobicContact CG1-CD2 3.83Å; V97-F101 HydrophobicContact CG1-CE1 3.88Å; V97-F101 HydrophobicContact CG1-CE2 3.25Å; V97-F101 HydrophobicContact CG1-CG 4.41Å; V97-F101 HydrophobicContact CG1-CZ 3.29Å; V97-F101 WeakPolarHBondContact O-CG 3.26Å; V97-F101 PolarHBondContact O-N 3.01Å; V97-F259 HydrophobicContact CB-CD1 4.32Å; V97-F259 HydrophobicContact CB-CD2 4.47Å; V97-F259 HydrophobicContact CB-CE1 4.3Å; V97-F259 HydrophobicContact CB-CG 4.42Å; V97-F259 HydrophobicContact CB-CZ 4.45Å; V97-F259 HydrophobicContact CG2-CD1 3.31Å; V97-F259 HydrophobicContact CG2-CD2 4.22Å; V97-F259 HydrophobicContact CG2-CE1 3.21Å; V97-F259 HydrophobicContact CG2-CE2 4.25Å; V97-F259 HydrophobicContact CG2-CG 3.84Å; V97-F259 HydrophobicContact CG2-CZ 3.75Å; V97-F259 VanDerWaalsContact N-CZ 3.27Å
98	V	60.4	Low	55.3	Low	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-44.6	177.7	171	0	0	0	0	110.4	Y30 A33 K94 F95 G100 F101 Q102	Y30-V98 HydrophobicContact CD1-CG2 3.99Å; Y30-V98 HydrophobicContact CD2-CG2 3.98Å; Y30-V98 HydrophobicContact CE1-CG2 3.9Å; Y30-V98 HydrophobicContact CE2-CB 4.42Å; Y30-V98 HydrophobicContact CE2-CG1 3.87Å; Y30-V98 HydrophobicContact CE2-CG2 3.85Å; Y30-V98 HydrophobicContact CG-CG2 4.05Å; A33-V98 HydrophobicContact CB-CG2 4.03Å; K94-V98 WeakPolarHBondContact O-CG2 3.44Å; K94-V98 PolarHBondContact O-N 3.08Å; F95-V98 PolarHBondContact O-N 2.82Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 3Å; V98-F101 PolarHBondContact O-N 2.9Å; V98-Q102 HydrophobicContact CG1-CG 4.4Å; V98-Q102 WeakPolarHBondContact O-CB 3.3Å; V98-Q102 VanDerWaalsContact O-CG 3.26Å; V98-Q102 WeakPolarHBondContact O-CG 3.37Å; V98-Q102 PolarHBondContact O-N 2.93Å
99	L	60.5	Low	55.3	Low	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-43.5	172.6	-84.4	-178.8	0	0	0	112.5	I62 F95 P96 V97 Q102 C103	I62-L99 HydrophobicContact CD1-CD2 3.21Å; I62-L99 HydrophobicContact CD1-CG 3.86Å; F95-L99 HydrophobicContact CD1-CD1 3.99Å; F95-L99 HydrophobicContact CE1-CD1 3.2Å; F95-L99 HydrophobicContact CE1-CG 4.05Å; F95-L99 HydrophobicContact CE2-CD1 4.14Å; F95-L99 HydrophobicContact CE2-CG 4.19Å; F95-L99 HydrophobicContact CZ-CD1 3.35Å; F95-L99 HydrophobicContact CZ-CD2 4.46Å; F95-L99 HydrophobicContact CZ-CG 3.88Å; F95-L99 PolarHBondContact O-N 3.29Å; P96-L99 WeakPolarHBondContact O-CB 3.4Å; P96-L99 PolarHBondContact O-N 3.44Å; V97-L99 VanDerWaalsContact C-N 3.3Å; V97-L99 PolarHBondContact O-N 3.07Å; L99-Q102 PolarHBondContact O-N 2.72Å; L99-C103 VanDerWaalsContact O-CB 3.31Å; L99-C103 WeakPolarHBondContact O-CB 3.35Å; L99-C103 PolarHBondContact O-N 3.28Å; L99-C103 VanDerWaalsContact O-N 3.08Å; L99-C103 PolarHBondContact O-SG 3.37Å
100	G	60.4	Low	55.5	Low	4 Å²	4	27.2 Å²	27.2	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-48	178.1	0	0	0	0	0	112.6	P96 V97 V98 C103 F104	P96-G100 PolarHBondContact O-N 3.43Å; V97-G100 WeakPolarHBondContact O-CA 3.32Å; V97-G100 PolarHBondContact O-N 2.9Å; V98-G100 VanDerWaalsContact C-N 3.31Å; V98-G100 PolarHBondContact O-N 3Å; G100-C103 PolarHBondContact O-N 2.7Å; G100-F104 PolarHBondContact O-N 3.35Å; G100-F104 VanDerWaalsContact O-N 3.16Å
101	F	56.9	Low	55.3	Low	5 Å²	5	29.2 Å²	29.2	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-43.6	178.4	-64.2	-19.5	0	0	0	112.2	F24 Y29 A32 F49 Y54 V97 V98 E105	F24-F101 HydrophobicContact CE1-CD2 4.45Å; F24-F101 HydrophobicContact CE1-CE1 4.25Å; F24-F101 AromaticContact CE1-CE2 3.84Å; F24-F101 HydrophobicContact CE1-CE2 3.84Å; F24-F101 AromaticContact CE1-CZ 3.72Å; F24-F101 HydrophobicContact CE1-CZ 3.72Å; F24-F101 HydrophobicContact CZ-CE1 4.03Å; F24-F101 HydrophobicContact CZ-CE2 4.38Å; F24-F101 AromaticContact CZ-CZ 3.8Å; F24-F101 HydrophobicContact CZ-CZ 3.8Å; Y29-F101 HydrophobicContact CD1-CB 3.47Å; Y29-F101 VanDerWaalsContact CD1-CB 3.47Å; Y29-F101 HydrophobicContact CD1-CD2 4.08Å; Y29-F101 HydrophobicContact CD1-CG 4.26Å; Y29-F101 HydrophobicContact CE1-CB 3.6Å; A32-F101 HydrophobicContact CB-CD2 4.4Å; A32-F101 HydrophobicContact CB-CE2 3.97Å; F49-F101 AromaticContact CE1-CD1 3.9Å; F49-F101 HydrophobicContact CE1-CD1 3.9Å; F49-F101 AromaticContact CE1-CE1 3.4Å; F49-F101 HydrophobicContact CE1-CE1 3.4Å; F49-F101 VanDerWaalsContact CE1-CE1 3.4Å; F49-F101 HydrophobicContact CE1-CZ 4.2Å; F49-F101 AromaticContact CZ-CE1 3.91Å; F49-F101 HydrophobicContact CZ-CE1 3.91Å; Y54-F101 WeakPolarHBondContact OH-CD2 3.44Å; V97-F101 HydrophobicContact CG1-CD1 4.44Å; V97-F101 HydrophobicContact CG1-CD2 3.83Å; V97-F101 HydrophobicContact CG1-CE1 3.88Å; V97-F101 HydrophobicContact CG1-CE2 3.25Å; V97-F101 HydrophobicContact CG1-CG 4.41Å; V97-F101 HydrophobicContact CG1-CZ 3.29Å; V97-F101 WeakPolarHBondContact O-CG 3.26Å; V97-F101 PolarHBondContact O-N 3.01Å; V98-F101 PolarHBondContact O-N 2.9Å; F101-E105 HydrophobicContact CD1-CG 4.4Å; F101-E105 WeakPolarHBondContact O-CB 3.31Å
102	Q	55.8	Low	54.9	Low	3 Å²	3	29 Å²	29	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-34.5	-178.1	-72.8	172.3	-13.8	0	0	113.1	Y29 V98 L99	Y29-Q102 HydrophobicContact CD1-CG 4.23Å; Y29-Q102 HydrophobicContact CD2-CG 3.75Å; Y29-Q102 HydrophobicContact CE1-CG 4.04Å; Y29-Q102 HydrophobicContact CE2-CG 3.54Å; Y29-Q102 HydrophobicContact CG-CG 4.08Å; V98-Q102 HydrophobicContact CG1-CG 4.4Å; V98-Q102 WeakPolarHBondContact O-CB 3.3Å; V98-Q102 VanDerWaalsContact O-CG 3.26Å; V98-Q102 WeakPolarHBondContact O-CG 3.37Å; V98-Q102 PolarHBondContact O-N 2.93Å; L99-Q102 PolarHBondContact O-N 2.72Å
103	C	52.7	Low	54.8	Low	5 Å²	5	37 Å²	37	3%	0.034	18%	0.182	C	C	.	.	H	α-helix	trans	-89.5	-33.1	-173.4	-68.5	0	0	0	0	114.9	L99 G100 R112 F116 Q119	L99-C103 VanDerWaalsContact O-CB 3.31Å; L99-C103 WeakPolarHBondContact O-CB 3.35Å; L99-C103 PolarHBondContact O-N 3.28Å; L99-C103 VanDerWaalsContact O-N 3.08Å; L99-C103 PolarHBondContact O-SG 3.37Å; G100-C103 PolarHBondContact O-N 2.7Å; C103-R112 WeakPolarHBondContact O-CD 3.5Å; C103-R112 WeakPolarHBondContact O-CG 3.49Å; C103-F116 HydrophobicContact CB-CD2 4.4Å; C103-Q119 PolarHBondContact SG-OE1 3Å
104	F	50.6	Low	54.8	Low	9 Å²	9	42.3 Å²	42.3	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-122.3	-11.6	-164.7	-72.3	-86.8	0	0	0	116	G100 M253 A256 R260 V283	G100-F104 PolarHBondContact O-N 3.35Å; G100-F104 VanDerWaalsContact O-N 3.16Å; F104-M253 VanDerWaalsContact CE2-CA 3.49Å; F104-M253 HydrophobicContact CE2-CB 3.99Å; F104-M253 HydrophobicContact CE2-CG 4.08Å; F104-M253 HydrophobicContact CZ-CB 3.59Å; F104-M253 HydrophobicContact CZ-CG 3.54Å; F104-M253 HydrophobicContact CZ-SD 4.07Å; F104-A256 HydrophobicContact CB-CB 4.25Å; F104-A256 HydrophobicContact CD2-CB 3.1Å; F104-A256 HydrophobicContact CE2-CB 3.59Å; F104-A256 HydrophobicContact CG-CB 3.81Å; F104-R260 PolarHBondContact O-NH2 3.38Å; F104-V283 HydrophobicContact CE1-CG1 4.4Å
105	E	49.1	Very low	54.5	Low	32 Å²	32	43.3 Å²	43.3	15%	0.15	21%	0.212	C	C	.	.	S	Bend	trans	-89.6	-3.6	-179.1	-59.9	-54.7	132.1	0	0	113.4	F49 F101 D107 R260	F49-E105 WeakPolarHBondContact CB-OE2 3.45Å; F49-E105 HydrophobicContact CD1-CG 4.19Å; F101-E105 HydrophobicContact CD1-CG 4.4Å; F101-E105 WeakPolarHBondContact O-CB 3.31Å; E105-D107 PolarHBondContact O-N 3.31Å; E105-R260 IonicContact OE1-CZ 3.57Å; E105-R260 IonicContact OE1-NE 3.88Å; E105-R260 PolarHBondContact OE1-NE 3.46Å; E105-R260 VanDerWaalsContact OE1-NE 3.08Å; E105-R260 IonicContact OE1-NH2 3.16Å; E105-R260 PolarHBondContact OE1-NH2 3.04Å; E105-R260 IonicContact OE2-NH2 3.82Å
106	L	46.3	Very low	54	Low	27 Å²	27	43.8 Å²	43.8	14%	0.141	22%	0.215	C	C	.	.			trans	-78.9	117.5	167.4	-62.9	165.5	0	0	0	108.3	D108 K111 R112 M115	L106-D108 PolarHBondContact O-N 2.83Å; L106-K111 HydrophobicContact CD1-CB 4.26Å; L106-R112 HydrophobicContact CB-CG 3.53Å; L106-R112 WeakPolarHBondContact O-CD 3.41Å; L106-R112 WeakPolarHBondContact O-CG 3.49Å; L106-R112 PolarHBondContact O-NE 3.47Å; L106-R112 PolarHBondContact O-NH1 2.93Å; L106-M115 HydrophobicContact CD1-CB 3.88Å; L106-M115 HydrophobicContact CD1-CG 3.61Å
107	D	44.1	Very low	53.7	Low	115 Å²	115	46.6 Å²	46.6	62%	0.615	23%	0.229	S	C	*	.	S	Bend	trans	-64.2	-31.7	175.5	-81.1	-32.7	0	0	0	112.3	P51 E105 A109 R112	P51-D107 WeakPolarHBondContact CB-OD2 3.03Å; P51-D107 WeakPolarHBondContact CG-OD2 3.11Å; E105-D107 PolarHBondContact O-N 3.31Å; D107-A109 PolarHBondContact O-N 3.36Å; D107-R112 PolarHBondContact O-NH1 2.77Å; D107-R112 PolarHBondContact O-NH2 3.09Å
108	D	49.8	Very low	53.4	Low	71 Å²	71	49.9 Å²	49.9	38%	0.38	25%	0.247	S	C	.	.			trans	-71.3	114.4	179.5	-176.5	-36.5	0	0	0	110.6	L106 D110 K111 R112	L106-D108 PolarHBondContact O-N 2.83Å; D108-D110 VanDerWaalsContact C-N 3.31Å; D108-D110 PolarHBondContact O-N 2.99Å; D108-D110 WeakPolarHBondContact OD1-CA 2.78Å; D108-D110 PolarHBondContact OD1-N 2.9Å; D108-K111 HydrophobicContact CB-CB 3.94Å; D108-K111 HydrophobicContact CB-CD 4.15Å; D108-K111 HydrophobicContact CB-CG 4.1Å; D108-K111 PolarHBondContact O-N 3.04Å; D108-K111 PolarHBondContact OD1-N 3.3Å; D108-R112 WeakPolarHBondContact O-CG 3.43Å; D108-R112 PolarHBondContact O-N 2.99Å
109	A	50	Low	53	Low	46 Å²	46	50.2 Å²	50.2	38%	0.38	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-34.6	-177.7	0	0	0	0	0	113.1	D107 R113	D107-A109 PolarHBondContact O-N 3.36Å; A109-R113 WeakPolarHBondContact O-CB 3.29Å; A109-R113 PolarHBondContact O-N 3.25Å
110	D	54.9	Low	52.4	Low	111 Å²	111	52.3 Å²	52.3	59%	0.594	26%	0.257	S	S	*	.	H	α-helix	trans	-74.9	-41.9	179.8	-68.8	-31.8	0	0	0	110.1	D108 R113 Q114	D108-D110 VanDerWaalsContact C-N 3.31Å; D108-D110 PolarHBondContact O-N 2.99Å; D108-D110 WeakPolarHBondContact OD1-CA 2.78Å; D108-D110 PolarHBondContact OD1-N 2.9Å; D110-R113 PolarHBondContact O-N 3.4Å; D110-Q114 WeakPolarHBondContact O-CB 3.44Å; D110-Q114 VanDerWaalsContact O-CG 3.24Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 2.65Å
111	K	53.1	Low	51.5	Low	104 Å²	104	55.1 Å²	55.1	45%	0.452	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-38.5	173.3	-69.6	-174	-179.6	-172.1	0	112.8	L106 D108 Q114 M115	L106-K111 HydrophobicContact CD1-CB 4.26Å; D108-K111 HydrophobicContact CB-CB 3.94Å; D108-K111 HydrophobicContact CB-CD 4.15Å; D108-K111 HydrophobicContact CB-CG 4.1Å; D108-K111 PolarHBondContact O-N 3.04Å; D108-K111 PolarHBondContact OD1-N 3.3Å; K111-Q114 PolarHBondContact O-N 3.19Å; K111-M115 WeakPolarHBondContact O-CB 3.33Å; K111-M115 VanDerWaalsContact O-CG 3.31Å; K111-M115 WeakPolarHBondContact O-CG 3.31Å; K111-M115 PolarHBondContact O-N 3.38Å
112	R	51.1	Low	50.6	Low	36 Å²	36	58.6 Å²	58.6	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-56.1	-52.1	170.7	-82.8	-170	-68	-115.3	-10.7	111	C103 L106 D107 D108 Q114 M115 F116	C103-R112 WeakPolarHBondContact O-CD 3.5Å; C103-R112 WeakPolarHBondContact O-CG 3.49Å; L106-R112 HydrophobicContact CB-CG 3.53Å; L106-R112 WeakPolarHBondContact O-CD 3.41Å; L106-R112 WeakPolarHBondContact O-CG 3.49Å; L106-R112 PolarHBondContact O-NE 3.47Å; L106-R112 PolarHBondContact O-NH1 2.93Å; D107-R112 PolarHBondContact O-NH1 2.77Å; D107-R112 PolarHBondContact O-NH2 3.09Å; D108-R112 WeakPolarHBondContact O-CG 3.43Å; D108-R112 PolarHBondContact O-N 2.99Å; R112-Q114 VanDerWaalsContact C-N 3.34Å; R112-Q114 PolarHBondContact O-N 3.17Å; R112-M115 PolarHBondContact O-N 2.68Å; R112-F116 WeakPolarHBondContact O-CB 3.35Å; R112-F116 PolarHBondContact O-N 2.96Å
113	R	53.9	Low	49.9	Very low	169 Å²	169	60.6 Å²	60.6	64%	0.638	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-44.5	-179.7	-176.1	177.7	-178.1	171.7	3.5	111.4	A109 D110 F116 D117	A109-R113 WeakPolarHBondContact O-CB 3.29Å; A109-R113 PolarHBondContact O-N 3.25Å; D110-R113 PolarHBondContact O-N 3.4Å; R113-F116 PolarHBondContact O-N 3.37Å; R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 3.4Å; R113-D117 PolarHBondContact O-N 2.89Å
114	Q	56.5	Low	49.1	Very low	114 Å²	114	68.7 Å²	68.7	53%	0.533	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.3	-74.4	172.2	14.9	0	0	111.3	D110 K111 R112 F116 D117 L118	D110-Q114 WeakPolarHBondContact O-CB 3.44Å; D110-Q114 VanDerWaalsContact O-CG 3.24Å; D110-Q114 WeakPolarHBondContact O-CG 3.43Å; D110-Q114 PolarHBondContact O-N 2.65Å; K111-Q114 PolarHBondContact O-N 3.19Å; R112-Q114 VanDerWaalsContact C-N 3.34Å; R112-Q114 PolarHBondContact O-N 3.17Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; Q114-F116 PolarHBondContact O-N 3.17Å; Q114-D117 PolarHBondContact O-N 2.74Å; Q114-L118 HydrophobicContact CB-CD1 4.38Å; Q114-L118 WeakPolarHBondContact O-CA 3.5Å; Q114-L118 WeakPolarHBondContact O-CB 3.12Å; Q114-L118 WeakPolarHBondContact O-CD1 3.39Å; Q114-L118 WeakPolarHBondContact O-CG 3.08Å; Q114-L118 PolarHBondContact O-N 3.14Å
115	M	55.2	Low	48.7	Very low	39 Å²	39	75.7 Å²	75.7	19%	0.192	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-36.4	-178	-76.4	-89.2	55.8	0	0	112.9	V59 L106 K111 R112 L118 Q119	V59-M115 HydrophobicContact CB-CE 4.43Å; V59-M115 HydrophobicContact CG1-CE 4.45Å; V59-M115 HydrophobicContact CG2-CE 3.94Å; V59-M115 HydrophobicContact CG2-SD 3.84Å; L106-M115 HydrophobicContact CD1-CB 3.88Å; L106-M115 HydrophobicContact CD1-CG 3.61Å; K111-M115 WeakPolarHBondContact O-CB 3.33Å; K111-M115 VanDerWaalsContact O-CG 3.31Å; K111-M115 WeakPolarHBondContact O-CG 3.31Å; K111-M115 PolarHBondContact O-N 3.38Å; R112-M115 PolarHBondContact O-N 2.68Å; M115-L118 HydrophobicContact CE-CB 3.7Å; M115-L118 HydrophobicContact CE-CD1 3.65Å; M115-L118 HydrophobicContact CE-CG 4.31Å; M115-L118 PolarHBondContact O-N 3.34Å; M115-Q119 WeakPolarHBondContact O-CB 3.43Å; M115-Q119 WeakPolarHBondContact O-CG 3.43Å; M115-Q119 PolarHBondContact O-N 2.74Å
116	F	52.7	Low	48.4	Very low	22 Å²	22	76.3 Å²	76.3	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-63.4	-50.7	170	-169.6	-125.2	0	0	0	111.9	C103 R112 R113 Q114 L118 Q119 F120 K249 C252	C103-F116 HydrophobicContact CB-CD2 4.4Å; R112-F116 WeakPolarHBondContact O-CB 3.35Å; R112-F116 PolarHBondContact O-N 2.96Å; R113-F116 PolarHBondContact O-N 3.37Å; Q114-F116 VanDerWaalsContact C-N 3.34Å; Q114-F116 PolarHBondContact O-N 3.17Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.87Å; F116-Q119 WeakPolarHBondContact O-CB 3.03Å; F116-Q119 PolarHBondContact O-N 2.97Å; F116-F120 HydrophobicContact CD1-CE2 4.43Å; F116-F120 AromaticContact CD2-CE2 3.78Å; F116-F120 HydrophobicContact CD2-CE2 3.78Å; F116-F120 AromaticContact CE2-CE2 3.93Å; F116-F120 HydrophobicContact CE2-CE2 3.93Å; F116-F120 HydrophobicContact CE2-CZ 4.47Å; F116-F120 HydrophobicContact CG-CE2 4.1Å; F116-F120 HydrophobicContact CZ-CE2 4.4Å; F116-F120 WeakPolarHBondContact O-CD2 3.45Å; F116-F120 WeakPolarHBondContact O-CE2 3.46Å; F116-F120 PolarHBondContact O-N 3.29Å; F116-K249 HydrophobicContact CD1-CD 4.15Å; F116-K249 HydrophobicContact CD1-CG 3.95Å; F116-K249 HydrophobicContact CE1-CB 3.59Å; F116-K249 HydrophobicContact CE1-CD 3.35Å; F116-K249 HydrophobicContact CE1-CG 3.11Å; F116-K249 HydrophobicContact CE2-CB 4.15Å; F116-K249 HydrophobicContact CE2-CG 4.12Å; F116-K249 HydrophobicContact CZ-CB 3.21Å; F116-K249 HydrophobicContact CZ-CD 3.94Å; F116-K249 HydrophobicContact CZ-CG 3.23Å; F116-C252 HydrophobicContact CE2-CB 3.91Å
117	D	54.2	Low	48.4	Very low	62 Å²	62	81.1 Å²	81.1	33%	0.332	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-38.7	176.6	-70.9	-24.9	0	0	0	110.6	R113 Q114 F120 S121	R113-D117 VanDerWaalsContact O-CB 3.3Å; R113-D117 WeakPolarHBondContact O-CB 3.4Å; R113-D117 PolarHBondContact O-N 2.89Å; Q114-D117 PolarHBondContact O-N 2.74Å; D117-F120 CarbonylContact O-C 3.36Å; D117-F120 PolarHBondContact O-N 3.42Å; D117-S121 VanDerWaalsContact C-OG 3.31Å; D117-S121 VanDerWaalsContact O-CB 3.29Å; D117-S121 WeakPolarHBondContact O-CB 3.4Å; D117-S121 PolarHBondContact O-N 2.92Å; D117-S121 PolarHBondContact O-OG 3.41Å
118	L	53.8	Low	49.1	Very low	70 Å²	70	77.7 Å²	77.7	37%	0.366	40%	0.401	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.9	-75.9	165.2	0	0	0	111.3	Q114 M115 F116 F120 S121 H123	Q114-L118 HydrophobicContact CB-CD1 4.38Å; Q114-L118 WeakPolarHBondContact O-CA 3.5Å; Q114-L118 WeakPolarHBondContact O-CB 3.12Å; Q114-L118 WeakPolarHBondContact O-CD1 3.39Å; Q114-L118 WeakPolarHBondContact O-CG 3.08Å; Q114-L118 PolarHBondContact O-N 3.14Å; M115-L118 HydrophobicContact CE-CB 3.7Å; M115-L118 HydrophobicContact CE-CD1 3.65Å; M115-L118 HydrophobicContact CE-CG 4.31Å; M115-L118 PolarHBondContact O-N 3.34Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.87Å; L118-F120 PolarHBondContact O-N 3.37Å; L118-S121 WeakPolarHBondContact CA-OG 3.45Å; L118-S121 CarbonylContact O-C 3.36Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 VanDerWaalsContact O-O 3.09Å; L118-H123 VanDerWaalsContact C-CE1 3.47Å; L118-H123 PolarHBondContact O-CD2 2.86Å; L118-H123 PolarHBondContact O-CE1 2.94Å; L118-H123 PolarHBondContact O-NE2 3.36Å
119	Q	51	Low	49.8	Very low	8 Å²	8	79.1 Å²	79.1	4%	0.037	41%	0.409	C	S	.	.	H	α-helix	trans	-48.1	-33.8	169.7	-85.9	-175	-10.6	0	0	113	V59 C103 M115 F116 H123	V59-Q119 HydrophobicContact CG1-CG 4.35Å; C103-Q119 PolarHBondContact SG-OE1 3Å; M115-Q119 WeakPolarHBondContact O-CB 3.43Å; M115-Q119 WeakPolarHBondContact O-CG 3.43Å; M115-Q119 PolarHBondContact O-N 2.74Å; F116-Q119 WeakPolarHBondContact O-CB 3.03Å; F116-Q119 PolarHBondContact O-N 2.97Å; Q119-H123 WeakPolarHBondContact CA-NE2 3.34Å; Q119-H123 PolarHBondContact N-NE2 3.1Å; Q119-H123 VanDerWaalsContact N-NE2 3.19Å
120	F	48.3	Very low	50.6	Low	47 Å²	47	79.8 Å²	79.8	21%	0.206	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.8	178.1	-54.3	-60.4	0	0	0	114.1	F64 F116 D117 L118 A248 K249	F64-F120 HydrophobicContact CD2-CB 4.07Å; F64-F120 AromaticContact CD2-CD1 3.83Å; F64-F120 HydrophobicContact CD2-CD1 3.83Å; F64-F120 HydrophobicContact CD2-CG 4.4Å; F64-F120 HydrophobicContact CE2-CB 4.01Å; F64-F120 AromaticContact CE2-CD1 3.94Å; F64-F120 HydrophobicContact CE2-CD1 3.94Å; F64-F120 HydrophobicContact CE2-CG 4.29Å; F116-F120 HydrophobicContact CD1-CE2 4.43Å; F116-F120 AromaticContact CD2-CE2 3.78Å; F116-F120 HydrophobicContact CD2-CE2 3.78Å; F116-F120 AromaticContact CE2-CE2 3.93Å; F116-F120 HydrophobicContact CE2-CE2 3.93Å; F116-F120 HydrophobicContact CE2-CZ 4.47Å; F116-F120 HydrophobicContact CG-CE2 4.1Å; F116-F120 HydrophobicContact CZ-CE2 4.4Å; F116-F120 WeakPolarHBondContact O-CD2 3.45Å; F116-F120 WeakPolarHBondContact O-CE2 3.46Å; F116-F120 PolarHBondContact O-N 3.29Å; D117-F120 CarbonylContact O-C 3.36Å; D117-F120 PolarHBondContact O-N 3.42Å; L118-F120 PolarHBondContact O-N 3.37Å; F120-A248 HydrophobicContact CD1-CB 4.35Å; F120-A248 HydrophobicContact CE1-CB 3.66Å; F120-A248 HydrophobicContact CZ-CB 3.93Å; F120-K249 HydrophobicContact CE2-CG 4.02Å
121	S	41.1	Very low	51	Low	62 Å²	62	74.5 Å²	74.5	43%	0.434	38%	0.382	S	S	.	.	S	Bend	trans	-130.8	98	-179.2	59.7	0	0	0	0	112.4	D117 L118	D117-S121 VanDerWaalsContact C-OG 3.31Å; D117-S121 VanDerWaalsContact O-CB 3.29Å; D117-S121 WeakPolarHBondContact O-CB 3.4Å; D117-S121 PolarHBondContact O-N 2.92Å; D117-S121 PolarHBondContact O-OG 3.41Å; L118-S121 WeakPolarHBondContact CA-OG 3.45Å; L118-S121 CarbonylContact O-C 3.36Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 VanDerWaalsContact O-O 3.09Å
122	G	38.9	Very low	51.6	Low	79 Å²	79	71.8 Å²	71.8	81%	0.814	37%	0.372	S	S	*	.			trans	50.6	77.3	155.3	0	0	0	0	0	117.3
123	H	41.4	Very low	52.6	Low	45 Å²	45	77.2 Å²	77.2	21%	0.208	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-88.3	165.9	179.1	-81	-59.4	0	0	0	115.5	Q61 L118 Q119	Q61-H123 HydrophobicContact CB-CB 4.03Å; Q61-H123 HydrophobicContact CG-CB 4.32Å; L118-H123 VanDerWaalsContact C-CE1 3.47Å; L118-H123 PolarHBondContact O-CD2 2.86Å; L118-H123 PolarHBondContact O-CE1 2.94Å; L118-H123 PolarHBondContact O-NE2 3.36Å; Q119-H123 WeakPolarHBondContact CA-NE2 3.34Å; Q119-H123 PolarHBondContact N-NE2 3.1Å; Q119-H123 VanDerWaalsContact N-NE2 3.19Å
124	K	36	Very low	53.4	Low	174 Å²	174	71.9 Å²	71.9	76%	0.757	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-77.3	131.2	162	-162.1	-178.5	177.8	-164.9	0	109.1
125	K	40.7	Very low	54	Low	156 Å²	156	66.5 Å²	66.5	68%	0.678	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-67.9	137.4	-176.4	-131.7	-178	-179.7	-168.7	0	110.9
126	V	43.7	Very low	54.9	Low	46 Å²	46	66.7 Å²	66.7	28%	0.279	35%	0.353	S	S	.	.			trans	-127.7	137.1	167	-177.9	0	0	0	0	109.5	N128	V126-N128 PolarHBondContact O-N 2.98Å; V126-N128 VanDerWaalsContact O-N 3.1Å
127	D	45.6	Very low	55.9	Low	127 Å²	127	69.8 Å²	69.8	68%	0.679	37%	0.369	S	S	*	.			trans	-84.9	54	-163.3	-60	-36	0	0	0	114.1	D129	D127-D129 PolarHBondContact O-N 3.38Å; D127-D129 VanDerWaalsContact O-N 3.12Å
128	N	59.4	Low	56.8	Low	43 Å²	43	66.9 Å²	66.9	23%	0.23	35%	0.353	C	S	.	.			trans	-83.9	75.8	159.3	-164.7	-25.3	0	0	0	109.5	V126 S130 F131 I132	V126-N128 PolarHBondContact O-N 2.98Å; V126-N128 VanDerWaalsContact O-N 3.1Å; N128-S130 PolarHBondContact O-N 3.36Å; N128-S130 PolarHBondContact OD1-N 3.1Å; N128-S130 PolarHBondContact OD1-OG 2.85Å; N128-F131 HydrophobicContact CB-CB 3.96Å; N128-F131 VanDerWaalsContact CG-CB 3.44Å; N128-F131 PolarHBondContact O-N 2.87Å; N128-F131 VanDerWaalsContact O-N 3.15Å; N128-F131 WeakPolarHBondContact OD1-CB 3.28Å; N128-F131 PolarHBondContact OD1-N 2.93Å; N128-F131 VanDerWaalsContact OD1-N 3.12Å; N128-I132 PolarHBondContact O-N 3.37Å
129	D	65.6	Low	57.9	Low	102 Å²	102	64.3 Å²	64.3	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-22.4	-177.1	-82.5	-10.1	0	0	0	113.8	D127 R133	D127-D129 PolarHBondContact O-N 3.38Å; D127-D129 VanDerWaalsContact O-N 3.12Å; D129-R133 WeakPolarHBondContact O-CB 2.73Å; D129-R133 PolarHBondContact O-NE 3.16Å; D129-R133 PolarHBondContact O-NH2 3.22Å; D129-R133 VanDerWaalsContact O-NH2 3.08Å
130	S	65.8	Low	59.1	Low	59 Å²	59	70 Å²	70	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-76.7	-45.2	173.5	60.3	0	0	0	0	110.6	N128 R133 Y134	N128-S130 PolarHBondContact O-N 3.36Å; N128-S130 PolarHBondContact OD1-N 3.1Å; N128-S130 PolarHBondContact OD1-OG 2.85Å; S130-R133 PolarHBondContact O-N 2.88Å; S130-Y134 PolarHBondContact O-N 3.37Å
131	F	63.2	Low	60.4	Low	1 Å²	1	68.3 Å²	68.3	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-66.5	-51.3	-178.4	-179	-96.8	0	0	0	113.1	Y30 D91 F95 N128 R133 Y134 I135	Y30-F131 AromaticContact CE1-CD2 3.82Å; Y30-F131 HydrophobicContact CE1-CD2 3.82Å; Y30-F131 HydrophobicContact CE1-CE1 4.4Å; Y30-F131 AromaticContact CE1-CE2 3.62Å; Y30-F131 HydrophobicContact CE1-CE2 3.62Å; Y30-F131 HydrophobicContact CE1-CG 4.31Å; Y30-F131 AromaticContact CE1-CZ 3.89Å; Y30-F131 HydrophobicContact CE1-CZ 3.89Å; Y30-F131 AromaticContact CZ-CE1 3.99Å; Y30-F131 AromaticContact CZ-CZ 3.83Å; Y30-F131 WeakPolarHBondContact OH-CE1 3.47Å; Y30-F131 WeakPolarHBondContact OH-CZ 2.77Å; D91-F131 HydrophobicContact CB-CD2 3.85Å; D91-F131 HydrophobicContact CB-CE2 4.45Å; D91-F131 WeakPolarHBondContact O-CE2 2.97Å; F95-F131 HydrophobicContact CB-CE2 4.42Å; F95-F131 HydrophobicContact CB-CZ 4.15Å; F95-F131 AromaticContact CD2-CZ 3.89Å; F95-F131 HydrophobicContact CD2-CZ 3.89Å; F95-F131 HydrophobicContact CG-CZ 4.5Å; N128-F131 HydrophobicContact CB-CB 3.96Å; N128-F131 VanDerWaalsContact CG-CB 3.44Å; N128-F131 PolarHBondContact O-N 2.87Å; N128-F131 VanDerWaalsContact O-N 3.15Å; N128-F131 WeakPolarHBondContact OD1-CB 3.28Å; N128-F131 PolarHBondContact OD1-N 2.93Å; N128-F131 VanDerWaalsContact OD1-N 3.12Å; F131-R133 PolarHBondContact O-N 2.98Å; F131-Y134 WeakPolarHBondContact O-CB 3.44Å; F131-Y134 PolarHBondContact O-N 2.98Å; F131-Y134 VanDerWaalsContact O-N 3.08Å; F131-I135 HydrophobicContact CD1-CD1 4.09Å; F131-I135 HydrophobicContact CD1-CG1 4.42Å; F131-I135 HydrophobicContact CE1-CD1 3.19Å; F131-I135 HydrophobicContact CE1-CG1 3.92Å; F131-I135 HydrophobicContact CE2-CD1 4.11Å; F131-I135 HydrophobicContact CE2-CG1 4.34Å; F131-I135 HydrophobicContact CZ-CD1 3.22Å; F131-I135 HydrophobicContact CZ-CG1 3.89Å; F131-I135 PolarHBondContact O-N 2.63Å
132	I	65.7	Low	61.9	Low	47 Å²	47	65.4 Å²	65.4	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-39.7	178.7	-68.7	176.2	0	0	0	110	N128 S136	N128-I132 PolarHBondContact O-N 3.37Å; I132-S136 WeakPolarHBondContact O-CB 3.36Å; I132-S136 PolarHBondContact O-N 2.92Å; I132-S136 PolarHBondContact O-OG 2.88Å
133	R	71.8	Confident	63.7	Low	150 Å²	150	65.9 Å²	65.9	57%	0.566	32%	0.321	S	S	*	.	H	α-helix	trans	-64.8	-43.1	176.6	-172.9	-169.2	-25.9	-164.9	5.3	111.8	D129 S130 F131 S136 M137	D129-R133 WeakPolarHBondContact O-CB 2.73Å; D129-R133 PolarHBondContact O-NE 3.16Å; D129-R133 PolarHBondContact O-NH2 3.22Å; D129-R133 VanDerWaalsContact O-NH2 3.08Å; S130-R133 PolarHBondContact O-N 2.88Å; F131-R133 PolarHBondContact O-N 2.98Å; R133-S136 PolarHBondContact O-N 3.23Å; R133-M137 HydrophobicContact CG-SD 4.4Å; R133-M137 VanDerWaalsContact O-CG 3.27Å; R133-M137 WeakPolarHBondContact O-CG 3.41Å; R133-M137 PolarHBondContact O-N 3.49Å
134	Y	71	Confident	65.4	Low	56 Å²	56	65.2 Å²	65.2	22%	0.22	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-53.1	176.3	179	-92.5	0	0	0	111.8	A92 S130 F131 S136 M137 E138 Y175	A92-Y134 HydrophobicContact CB-CD1 4.23Å; A92-Y134 HydrophobicContact CB-CE1 3.24Å; A92-Y134 VanDerWaalsContact CB-CZ 3.43Å; A92-Y134 VanDerWaalsContact CB-OH 3.29Å; A92-Y134 WeakPolarHBondContact CB-OH 3.4Å; S130-Y134 PolarHBondContact O-N 3.37Å; F131-Y134 WeakPolarHBondContact O-CB 3.44Å; F131-Y134 PolarHBondContact O-N 2.98Å; F131-Y134 VanDerWaalsContact O-N 3.08Å; Y134-S136 VanDerWaalsContact C-N 3.27Å; Y134-S136 PolarHBondContact O-N 2.93Å; Y134-M137 WeakPolarHBondContact O-CB 3.42Å; Y134-M137 PolarHBondContact O-N 2.95Å; Y134-M137 VanDerWaalsContact O-N 3.13Å; Y134-E138 HydrophobicContact CD1-CG 4.36Å; Y134-E138 HydrophobicContact CE1-CG 3.76Å; Y134-E138 WeakPolarHBondContact CE1-OE1 2.93Å; Y134-E138 WeakPolarHBondContact CE1-OE2 2.95Å; Y134-E138 HydrophobicContact CE2-CG 4.43Å; Y134-E138 VanDerWaalsContact CZ-OE1 3.3Å; Y134-E138 PolarHBondContact O-N 3.2Å; Y134-E138 PolarHBondContact OH-OE1 2.95Å; Y134-Y175 HydrophobicContact CE2-CE2 4.33Å
135	I	70	Confident	67.1	Low	2 Å²	2	57 Å²	57	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-44.3	176.7	-65.6	-165.9	0	0	0	110.4	P63 Y74 F95 F131 M137 E138 L139	P63-I135 HydrophobicContact CB-CG2 4.38Å; P63-I135 HydrophobicContact CG-CB 4.45Å; P63-I135 HydrophobicContact CG-CG2 3.7Å; Y74-I135 HydrophobicContact CE2-CG2 4.42Å; Y74-I135 WeakPolarHBondContact OH-CD1 3.4Å; Y74-I135 WeakPolarHBondContact OH-CG1 3.27Å; F95-I135 HydrophobicContact CD2-CD1 3.69Å; F95-I135 HydrophobicContact CE2-CD1 3.96Å; F95-I135 HydrophobicContact CG-CD1 4.36Å; F131-I135 HydrophobicContact CD1-CD1 4.09Å; F131-I135 HydrophobicContact CD1-CG1 4.42Å; F131-I135 HydrophobicContact CE1-CD1 3.19Å; F131-I135 HydrophobicContact CE1-CG1 3.92Å; F131-I135 HydrophobicContact CE2-CD1 4.11Å; F131-I135 HydrophobicContact CE2-CG1 4.34Å; F131-I135 HydrophobicContact CZ-CD1 3.22Å; F131-I135 HydrophobicContact CZ-CG1 3.89Å; F131-I135 PolarHBondContact O-N 2.63Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 3.06Å; I135-E138 PolarHBondContact O-N 3.01Å; I135-L139 HydrophobicContact CG2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CG 3.95Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 WeakPolarHBondContact O-CG 2.89Å; I135-L139 PolarHBondContact O-N 3.41Å
136	S	72.8	Confident	68.7	Low	43 Å²	43	50.5 Å²	50.5	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-41.1	179.4	-61.1	0	0	0	0	111.7	I132 R133 Y134 Q140	I132-S136 WeakPolarHBondContact O-CB 3.36Å; I132-S136 PolarHBondContact O-N 2.92Å; I132-S136 PolarHBondContact O-OG 2.88Å; R133-S136 PolarHBondContact O-N 3.23Å; Y134-S136 VanDerWaalsContact C-N 3.27Å; Y134-S136 PolarHBondContact O-N 2.93Å; S136-Q140 WeakPolarHBondContact O-CB 3.4Å; S136-Q140 WeakPolarHBondContact O-CG 3.1Å; S136-Q140 PolarHBondContact O-N 3.47Å
137	M	74.5	Confident	70.1	Confident	86 Å²	86	51.9 Å²	51.9	42%	0.424	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-41.8	175.4	-73.5	175.6	63.1	0	0	112.2	R133 Y134 I135 S141 Y175	R133-M137 HydrophobicContact CG-SD 4.4Å; R133-M137 VanDerWaalsContact O-CG 3.27Å; R133-M137 WeakPolarHBondContact O-CG 3.41Å; R133-M137 PolarHBondContact O-N 3.49Å; Y134-M137 WeakPolarHBondContact O-CB 3.42Å; Y134-M137 PolarHBondContact O-N 2.95Å; Y134-M137 VanDerWaalsContact O-N 3.13Å; I135-M137 VanDerWaalsContact C-N 3.29Å; I135-M137 PolarHBondContact O-N 3.06Å; M137-S141 WeakPolarHBondContact O-CB 3.43Å; M137-S141 PolarHBondContact O-N 3.46Å; M137-Y175 HydrophobicContact CE-CE1 4.2Å
138	E	72.9	Confident	71.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-44.5	176.5	-74.7	-167.7	130.1	0	0	112.7	Y74 Q78 Y134 I135 S141 I142 Y175	Y74-E138 HydrophobicContact CD2-CB 4.43Å; Y74-E138 HydrophobicContact CE2-CB 4.11Å; Y74-E138 VanDerWaalsContact CE2-OE2 3.24Å; Y74-E138 WeakPolarHBondContact CE2-OE2 3.31Å; Q78-E138 VanDerWaalsContact NE2-CD 3.29Å; Q78-E138 PolarHBondContact NE2-OE1 2.74Å; Q78-E138 VanDerWaalsContact NE2-OE1 3.17Å; Q78-E138 PolarHBondContact NE2-OE2 3.47Å; Y134-E138 HydrophobicContact CD1-CG 4.36Å; Y134-E138 HydrophobicContact CE1-CG 3.76Å; Y134-E138 WeakPolarHBondContact CE1-OE1 2.93Å; Y134-E138 WeakPolarHBondContact CE1-OE2 2.95Å; Y134-E138 HydrophobicContact CE2-CG 4.43Å; Y134-E138 VanDerWaalsContact CZ-OE1 3.3Å; Y134-E138 PolarHBondContact O-N 3.2Å; Y134-E138 PolarHBondContact OH-OE1 2.95Å; I135-E138 PolarHBondContact O-N 3.01Å; E138-S141 WeakPolarHBondContact O-CB 3.47Å; E138-S141 PolarHBondContact O-N 2.91Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.47Å; E138-I142 PolarHBondContact O-N 2.9Å; E138-Y175 HydrophobicContact CG-CE2 4.24Å
139	L	75.8	Confident	71.4	Confident	16 Å²	16	45.8 Å²	45.8	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-44.6	177.1	-69.4	178.4	0	0	0	110.9	P63 I65 I70 Y74 I135 S141 I142 E143	P63-L139 HydrophobicContact CB-CD1 3.64Å; P63-L139 HydrophobicContact CG-CD1 4.26Å; I65-L139 HydrophobicContact CD1-CD2 3.59Å; I65-L139 HydrophobicContact CG1-CD1 4.26Å; I65-L139 HydrophobicContact CG1-CD2 3.85Å; I70-L139 HydrophobicContact CG2-CD2 4.07Å; Y74-L139 HydrophobicContact CD2-CD2 3.83Å; Y74-L139 HydrophobicContact CE2-CD2 4.33Å; Y74-L139 HydrophobicContact CG-CD2 4.07Å; I135-L139 HydrophobicContact CG2-CD1 3.66Å; I135-L139 HydrophobicContact CG2-CG 3.95Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 WeakPolarHBondContact O-CG 2.89Å; I135-L139 PolarHBondContact O-N 3.41Å; L139-S141 VanDerWaalsContact C-N 3.29Å; L139-S141 PolarHBondContact O-N 3.37Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-I142 VanDerWaalsContact O-N 3.15Å; L139-E143 VanDerWaalsContact O-CB 3.3Å; L139-E143 WeakPolarHBondContact O-CB 3.21Å; L139-E143 VanDerWaalsContact O-CG 3.28Å; L139-E143 WeakPolarHBondContact O-CG 3.46Å; L139-E143 PolarHBondContact O-N 2.94Å
140	Q	77.5	Confident	71.5	Confident	129 Å²	129	48.6 Å²	48.6	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-59.4	-39.1	173.6	-76	174	0.7	0	0	112.4	S136 G144	S136-Q140 WeakPolarHBondContact O-CB 3.4Å; S136-Q140 WeakPolarHBondContact O-CG 3.1Å; S136-Q140 PolarHBondContact O-N 3.47Å; Q140-G144 PolarHBondContact O-N 3.05Å
141	S	74.8	Confident	71.4	Confident	11 Å²	11	55 Å²	55	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.5	168.9	0	0	0	0	111.9	R77 M137 E138 L139 G144 R145 P173	R77-S141 PolarHBondContact NH1-OG 3.23Å; M137-S141 WeakPolarHBondContact O-CB 3.43Å; M137-S141 PolarHBondContact O-N 3.46Å; E138-S141 WeakPolarHBondContact O-CB 3.47Å; E138-S141 PolarHBondContact O-N 2.91Å; L139-S141 VanDerWaalsContact C-N 3.29Å; L139-S141 PolarHBondContact O-N 3.37Å; S141-G144 PolarHBondContact O-N 3.48Å; S141-R145 PolarHBondContact O-N 3.16Å; S141-R145 VanDerWaalsContact O-N 3.1Å; S141-P173 VanDerWaalsContact OG-CD 3.31Å; S141-P173 WeakPolarHBondContact OG-CD 3.45Å
142	I	73.7	Confident	71.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.2	-44.6	178.6	-66.9	167.5	0	0	0	110.6	I70 A73 Y74 E138 L139 R145 A146 F203	I70-I142 HydrophobicContact CB-CG2 4.35Å; I70-I142 HydrophobicContact CG1-CG2 4.43Å; I70-I142 HydrophobicContact CG2-CG2 3.83Å; A73-I142 HydrophobicContact CB-CG2 3.76Å; Y74-I142 HydrophobicContact CD2-CD1 3.82Å; Y74-I142 HydrophobicContact CG-CD1 4.25Å; E138-I142 VanDerWaalsContact O-CG1 3.3Å; E138-I142 WeakPolarHBondContact O-CG1 3.47Å; E138-I142 PolarHBondContact O-N 2.9Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-I142 VanDerWaalsContact O-N 3.15Å; I142-R145 PolarHBondContact O-N 3.37Å; I142-A146 WeakPolarHBondContact O-CB 2.99Å; I142-A146 PolarHBondContact O-N 3.07Å; I142-F203 HydrophobicContact CG2-CE2 3.85Å; I142-F203 HydrophobicContact CG2-CZ 3.63Å
143	E	77	Confident	70.7	Confident	89 Å²	89	58.1 Å²	58.1	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-41.5	175.2	-78	173.1	175.2	0	0	112.2	I70 L139 A146 S147	I70-E143 HydrophobicContact CD1-CG 3.55Å; L139-E143 VanDerWaalsContact O-CB 3.3Å; L139-E143 WeakPolarHBondContact O-CB 3.21Å; L139-E143 VanDerWaalsContact O-CG 3.28Å; L139-E143 WeakPolarHBondContact O-CG 3.46Å; L139-E143 PolarHBondContact O-N 2.94Å; E143-A146 PolarHBondContact O-N 3.12Å; E143-S147 WeakPolarHBondContact O-CB 3.33Å; E143-S147 PolarHBondContact O-N 3.36Å; E143-S147 PolarHBondContact O-OG 2.74Å
144	G	75.4	Confident	69.7	Low	32 Å²	32	54.1 Å²	54.1	33%	0.33	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-48	174.5	0	0	0	0	0	111.4	Q140 S141 S147 I148	Q140-G144 PolarHBondContact O-N 3.05Å; S141-G144 PolarHBondContact O-N 3.48Å; G144-S147 WeakPolarHBondContact O-CB 3.47Å; G144-S147 PolarHBondContact O-N 3.26Å; G144-I148 WeakPolarHBondContact O-CG1 3.26Å; G144-I148 PolarHBondContact O-N 3.39Å
145	R	72.4	Confident	68.3	Low	2 Å²	2	58 Å²	58	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-44.6	174.6	-70	-171.9	-54.6	161.9	8.4	112.3	S141 I142 S147 I148 F149 A168 E199	S141-R145 PolarHBondContact O-N 3.16Å; S141-R145 VanDerWaalsContact O-N 3.1Å; I142-R145 PolarHBondContact O-N 3.37Å; R145-S147 PolarHBondContact O-N 3.08Å; R145-I148 WeakPolarHBondContact O-CB 3.43Å; R145-I148 PolarHBondContact O-N 2.99Å; R145-F149 WeakPolarHBondContact O-CD2 3.43Å; R145-F149 PolarHBondContact O-N 3.16Å; R145-A168 HydrophobicContact CG-CB 4.31Å; R145-E199 IonicContact CZ-OE1 3.17Å; R145-E199 IonicContact CZ-OE2 2.77Å; R145-E199 PolarHBondContact NH1-O 3.01Å; R145-E199 IonicContact NH1-OE1 3.38Å; R145-E199 IonicContact NH1-OE2 3.5Å; R145-E199 PolarHBondContact NH1-OE2 3.28Å; R145-E199 VanDerWaalsContact NH2-CD 3.35Å; R145-E199 IonicContact NH2-OE1 3.49Å; R145-E199 PolarHBondContact NH2-OE1 2.94Å; R145-E199 IonicContact NH2-OE2 2.74Å; R145-E199 PolarHBondContact NH2-OE2 3.11Å
146	A	73.9	Confident	67.2	Low	19 Å²	19	67.4 Å²	67.4	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-57.2	-40.9	176.2	0	0	0	0	0	111.2	I142 E143 F149 K150 F203	I142-A146 WeakPolarHBondContact O-CB 2.99Å; I142-A146 PolarHBondContact O-N 3.07Å; E143-A146 PolarHBondContact O-N 3.12Å; A146-F149 PolarHBondContact O-N 3.47Å; A146-K150 VanDerWaalsContact O-CB 3.28Å; A146-K150 WeakPolarHBondContact O-CB 3.42Å; A146-K150 PolarHBondContact O-N 3.14Å; A146-F203 HydrophobicContact CB-CD1 3.9Å; A146-F203 HydrophobicContact CB-CD2 4.14Å; A146-F203 HydrophobicContact CB-CE1 3.67Å; A146-F203 HydrophobicContact CB-CE2 3.92Å; A146-F203 HydrophobicContact CB-CG 4.14Å; A146-F203 HydrophobicContact CB-CZ 3.69Å
147	S	72.7	Confident	65.8	Low	75 Å²	75	71.6 Å²	71.6	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-67.7	-40.4	177.2	-60.5	0	0	0	0	112.7	E143 G144 R145 K150 R151	E143-S147 WeakPolarHBondContact O-CB 3.33Å; E143-S147 PolarHBondContact O-N 3.36Å; E143-S147 PolarHBondContact O-OG 2.74Å; G144-S147 WeakPolarHBondContact O-CB 3.47Å; G144-S147 PolarHBondContact O-N 3.26Å; R145-S147 PolarHBondContact O-N 3.08Å; S147-K150 PolarHBondContact O-N 2.95Å; S147-R151 VanDerWaalsContact O-CB 3.32Å; S147-R151 WeakPolarHBondContact O-CB 3.4Å; S147-R151 PolarHBondContact O-N 3.08Å
148	I	67.5	Low	64.3	Low	38 Å²	38	71.9 Å²	71.9	20%	0.195	38%	0.379	C	S	.	.	H	α-helix	trans	-56.4	-58.1	171	-73.1	167.7	0	0	0	108.8	G144 R145 K150 R151 F152 A171	G144-I148 WeakPolarHBondContact O-CG1 3.26Å; G144-I148 PolarHBondContact O-N 3.39Å; R145-I148 WeakPolarHBondContact O-CB 3.43Å; R145-I148 PolarHBondContact O-N 2.99Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.48Å; I148-R151 PolarHBondContact O-N 3.32Å; I148-R151 VanDerWaalsContact O-N 3.13Å; I148-F152 HydrophobicContact CG2-CD2 3.71Å; I148-F152 HydrophobicContact CG2-CE2 3.79Å; I148-F152 WeakPolarHBondContact O-CD2 3.38Å; I148-F152 PolarHBondContact O-N 3.04Å; I148-A171 HydrophobicContact CD1-CB 3.37Å
149	F	65	Low	63.1	Low	3 Å²	3	77.7 Å²	77.7	1%	0.013	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-40.5	-179.5	-79.6	-69.1	0	0	0	113	R145 A146 F152 A153 L164 A168 F203 G204 L207	R145-F149 WeakPolarHBondContact O-CD2 3.43Å; R145-F149 PolarHBondContact O-N 3.16Å; A146-F149 PolarHBondContact O-N 3.47Å; F149-F152 PolarHBondContact O-N 3.49Å; F149-A153 WeakPolarHBondContact O-CB 3.5Å; F149-A153 PolarHBondContact O-N 3.13Å; F149-L164 HydrophobicContact CE1-CB 4.04Å; F149-A168 HydrophobicContact CE2-CB 3.77Å; F149-A168 HydrophobicContact CZ-CB 3.95Å; F149-F203 HydrophobicContact CB-CB 3.82Å; F149-F203 HydrophobicContact CD2-CB 3.52Å; F149-F203 HydrophobicContact CD2-CD2 4.18Å; F149-F203 HydrophobicContact CD2-CG 4.29Å; F149-F203 HydrophobicContact CE2-CB 4.24Å; F149-F203 HydrophobicContact CG-CB 3.77Å; F149-G204 VanDerWaalsContact CD1-CA 3.49Å; F149-L207 HydrophobicContact CB-CD1 3.9Å; F149-L207 WeakPolarHBondContact O-CD1 3.41Å
150	K	67.4	Low	62	Low	161 Å²	161	81.3 Å²	81.3	70%	0.7	43%	0.427	S	S	*	.	H	α-helix	trans	-62.7	-45	176.2	-174	178.5	179.6	-178.8	0	112	A146 S147 I148 F152 A153 S154	A146-K150 VanDerWaalsContact O-CB 3.28Å; A146-K150 WeakPolarHBondContact O-CB 3.42Å; A146-K150 PolarHBondContact O-N 3.14Å; S147-K150 PolarHBondContact O-N 2.95Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.48Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.19Å; K150-A153 PolarHBondContact O-N 3.39Å; K150-S154 PolarHBondContact O-N 3.39Å; K150-S154 PolarHBondContact O-OG 2.92Å
151	R	63.6	Low	60.7	Low	194 Å²	194	77.2 Å²	77.2	73%	0.732	41%	0.407	S	S	*	.	H	α-helix	trans	-62.5	-37.7	177.4	-179.5	-179.1	173.1	-173.2	-1.5	111.7	S147 I148 S154	S147-R151 VanDerWaalsContact O-CB 3.32Å; S147-R151 WeakPolarHBondContact O-CB 3.4Å; S147-R151 PolarHBondContact O-N 3.08Å; I148-R151 PolarHBondContact O-N 3.32Å; I148-R151 VanDerWaalsContact O-N 3.13Å; R151-S154 PolarHBondContact O-OG 3.31Å
152	F	59.3	Low	59.7	Low	58 Å²	58	80.2 Å²	80.2	25%	0.254	43%	0.428	S	S	.	.	H	α-helix	trans	-82	-20.7	179.8	-76.7	-73.2	0	0	0	113.9	I148 F149 K150 Y157 L164	I148-F152 HydrophobicContact CG2-CD2 3.71Å; I148-F152 HydrophobicContact CG2-CE2 3.79Å; I148-F152 WeakPolarHBondContact O-CD2 3.38Å; I148-F152 PolarHBondContact O-N 3.04Å; F149-F152 PolarHBondContact O-N 3.49Å; K150-F152 VanDerWaalsContact C-N 3.3Å; K150-F152 PolarHBondContact O-N 3.19Å; F152-Y157 HydrophobicContact CD1-CG 4.26Å; F152-Y157 HydrophobicContact CE1-CG 4.29Å; F152-L164 HydrophobicContact CB-CD2 3.44Å; F152-L164 VanDerWaalsContact CB-CD2 3.44Å; F152-L164 HydrophobicContact CD1-CD2 3.74Å; F152-L164 HydrophobicContact CD2-CD2 3.79Å; F152-L164 HydrophobicContact CE1-CD2 4.44Å; F152-L164 HydrophobicContact CG-CD2 3.38Å
153	A	56.5	Low	58.8	Low	56 Å²	56	82.9 Å²	82.9	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-75.3	-26.1	171.7	0	0	0	0	0	113.2	F149 K150 L207	F149-A153 WeakPolarHBondContact O-CB 3.5Å; F149-A153 PolarHBondContact O-N 3.13Å; K150-A153 PolarHBondContact O-N 3.39Å; A153-L207 HydrophobicContact CB-CB 4.22Å; A153-L207 HydrophobicContact CB-CD1 3.55Å; A153-L207 HydrophobicContact CB-CD2 3.78Å; A153-L207 HydrophobicContact CB-CG 4.01Å
154	S	50	Low	57.8	Low	65 Å²	65	79.9 Å²	79.9	46%	0.455	43%	0.429	S	S	.	.	S	Bend	trans	-84	113.4	167.8	53.4	0	0	0	0	110.1	K150 R151	K150-S154 PolarHBondContact O-N 3.39Å; K150-S154 PolarHBondContact O-OG 2.92Å; R151-S154 PolarHBondContact O-OG 3.31Å
155	D	42.3	Very low	57	Low	139 Å²	139	79.3 Å²	79.3	74%	0.743	42%	0.419	S	S	*	.	S	Bend	trans	65	113	160.8	-55.4	-26.5	0	0	0	118.3	Y157	D155-Y157 PolarHBondContact O-N 3.48Å
156	E	47	Very low	56.5	Low	199 Å²	199	84.7 Å²	84.7	93%	0.93	44%	0.444	S	S	*	.	S	Bend	trans	70.1	-13.2	157.2	-65.7	-171.5	147.4	0	0	121.1	A158	E156-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact O-N 3.17Å
157	Y	43.6	Very low	56	Low	130 Å²	130	87.9 Å²	87.9	51%	0.51	46%	0.456	S	S	.	.			trans	-92.5	63.5	174.2	-82.6	-90.8	0	0	0	113	F152 D155 K159	F152-Y157 HydrophobicContact CD1-CG 4.26Å; F152-Y157 HydrophobicContact CE1-CG 4.29Å; D155-Y157 PolarHBondContact O-N 3.48Å; Y157-K159 HydrophobicContact CD1-CD 3.98Å; Y157-K159 HydrophobicContact CD1-CG 4.1Å; Y157-K159 HydrophobicContact CE1-CD 4.3Å; Y157-K159 PolarHBondContact O-N 3.29Å
158	A	43	Very low	55.5	Low	92 Å²	92	84.4 Å²	84.4	76%	0.76	43%	0.432	S	S	*	.			trans	-74.9	42.9	159.3	0	0	0	0	0	111.5	E156	E156-A158 PolarHBondContact O-N 3.38Å; E156-A158 VanDerWaalsContact O-N 3.17Å
159	K	47.3	Very low	55.4	Low	123 Å²	123	84.4 Å²	84.4	54%	0.535	43%	0.433	S	S	.	.			trans	-63.2	143.2	158.4	-77.3	-172	179	-177.1	0	107.1	Y157 F161 D163	Y157-K159 HydrophobicContact CD1-CD 3.98Å; Y157-K159 HydrophobicContact CD1-CG 4.1Å; Y157-K159 HydrophobicContact CE1-CD 4.3Å; Y157-K159 PolarHBondContact O-N 3.29Å; K159-F161 PolarHBondContact O-N 2.69Å; K159-D163 HydrophobicContact CB-CB 4.13Å
160	T	51.6	Low	55.5	Low	92 Å²	92	90.4 Å²	90.4	56%	0.564	46%	0.459	S	S	*	.			trans	-45.5	139	-173.8	20.6	0	0	0	0	110.8	C162 D163	T160-C162 CarbonylContact O-C 3.57Å; T160-C162 PolarHBondContact O-N 2.85Å; T160-D163 WeakPolarHBondContact O-CB 3.47Å; T160-D163 PolarHBondContact O-N 3.42Å; T160-D163 PolarHBondContact OG1-OD1 3.44Å
161	F	51.8	Low	55.4	Low	43 Å²	43	85.4 Å²	85.4	19%	0.189	45%	0.448	C	S	.	.	H	α-helix	trans	-43.3	-37.2	177.6	171.1	-97.2	0	0	0	112.3	K159 D163 L164 V165 N201 I205 L208 W216	K159-F161 PolarHBondContact O-N 2.69Å; F161-D163 PolarHBondContact O-N 3.02Å; F161-L164 WeakPolarHBondContact O-CB 3.36Å; F161-L164 PolarHBondContact O-N 2.9Å; F161-L164 VanDerWaalsContact O-N 3.14Å; F161-V165 HydrophobicContact CD1-CG2 3.93Å; F161-V165 HydrophobicContact CE1-CG2 3.72Å; F161-V165 HydrophobicContact CG-CG2 4.48Å; F161-V165 HydrophobicContact CZ-CG2 4.13Å; F161-V165 VanDerWaalsContact O-CG2 3.24Å; F161-V165 WeakPolarHBondContact O-CG2 3.24Å; F161-V165 PolarHBondContact O-N 3.04Å; F161-N201 HydrophobicContact CE2-CB 4.47Å; F161-N201 HydrophobicContact CZ-CB 3.78Å; F161-N201 WeakPolarHBondContact CZ-OD1 3.21Å; F161-I205 HydrophobicContact CE2-CG1 4.25Å; F161-I205 HydrophobicContact CZ-CG1 4.14Å; F161-L208 HydrophobicContact CD2-CD1 3.87Å; F161-L208 HydrophobicContact CE2-CD1 4.04Å; F161-W216 AromaticContact CE1-CD1 3.5Å; F161-W216 VanDerWaalsContact CE1-CD1 3.5Å; F161-W216 HydrophobicContact CE1-CG 4.17Å; F161-W216 AromaticContact CE1-NE1 3.82Å; F161-W216 HydrophobicContact CZ-CG 4.45Å
162	C	52.4	Low	55.4	Low	75 Å²	75	76.3 Å²	76.3	51%	0.507	41%	0.414	S	S	.	.	H	α-helix	trans	-51.1	-49.1	172.4	-55.8	0	0	0	0	114.1	T160 L164 V165 E166	T160-C162 CarbonylContact O-C 3.57Å; T160-C162 PolarHBondContact O-N 2.85Å; C162-L164 PolarHBondContact O-N 3.1Å; C162-V165 WeakPolarHBondContact O-CB 3.19Å; C162-V165 PolarHBondContact O-N 3.31Å; C162-V165 VanDerWaalsContact O-N 3.1Å; C162-E166 WeakPolarHBondContact O-CG 2.98Å; C162-E166 PolarHBondContact O-N 3.14Å
163	D	55.6	Low	55.3	Low	55 Å²	55	75.6 Å²	75.6	29%	0.294	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-36.1	179.3	-57	25.4	0	0	0	111.1	K159 T160 F161 E166 E167	K159-D163 HydrophobicContact CB-CB 4.13Å; T160-D163 WeakPolarHBondContact O-CB 3.47Å; T160-D163 PolarHBondContact O-N 3.42Å; T160-D163 PolarHBondContact OG1-OD1 3.44Å; F161-D163 PolarHBondContact O-N 3.02Å; D163-E166 PolarHBondContact O-N 3.44Å; D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.93Å
164	L	55	Low	55.4	Low	27 Å²	27	78.7 Å²	78.7	14%	0.141	42%	0.424	C	S	.	.	H	α-helix	trans	-68.7	-40.1	175.8	-65.9	171.8	0	0	0	111.8	F149 F152 F161 C162 E166 A168	F149-L164 HydrophobicContact CE1-CB 4.04Å; F152-L164 HydrophobicContact CB-CD2 3.44Å; F152-L164 VanDerWaalsContact CB-CD2 3.44Å; F152-L164 HydrophobicContact CD1-CD2 3.74Å; F152-L164 HydrophobicContact CD2-CD2 3.79Å; F152-L164 HydrophobicContact CE1-CD2 4.44Å; F152-L164 HydrophobicContact CG-CD2 3.38Å; F161-L164 WeakPolarHBondContact O-CB 3.36Å; F161-L164 PolarHBondContact O-N 2.9Å; F161-L164 VanDerWaalsContact O-N 3.14Å; C162-L164 PolarHBondContact O-N 3.1Å; L164-E166 VanDerWaalsContact C-N 3.35Å; L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.29Å
165	V	58.2	Low	55.6	Low	20 Å²	20	80 Å²	80	12%	0.121	42%	0.42	C	S	.	.	H	α-helix	trans	-61	-47.6	173.4	-172	0	0	0	0	109.6	F161 C162 E167 A168 V169 N201	F161-V165 HydrophobicContact CD1-CG2 3.93Å; F161-V165 HydrophobicContact CE1-CG2 3.72Å; F161-V165 HydrophobicContact CG-CG2 4.48Å; F161-V165 HydrophobicContact CZ-CG2 4.13Å; F161-V165 VanDerWaalsContact O-CG2 3.24Å; F161-V165 WeakPolarHBondContact O-CG2 3.24Å; F161-V165 PolarHBondContact O-N 3.04Å; C162-V165 WeakPolarHBondContact O-CB 3.19Å; C162-V165 PolarHBondContact O-N 3.31Å; C162-V165 VanDerWaalsContact O-N 3.1Å; V165-E167 PolarHBondContact O-N 3.44Å; V165-A168 PolarHBondContact O-N 2.97Å; V165-V169 HydrophobicContact CG1-CG2 4.21Å; V165-V169 WeakPolarHBondContact O-CB 3.4Å; V165-V169 VanDerWaalsContact O-CG2 3.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.48Å; V165-V169 PolarHBondContact O-N 3.33Å; V165-N201 WeakPolarHBondContact CG2-OD1 3.37Å
166	E	62.4	Low	56	Low	114 Å²	114	73.5 Å²	73.5	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-45	179.7	-73.1	179.5	-171.5	0	0	112.4	C162 D163 L164 V169 K170	C162-E166 WeakPolarHBondContact O-CG 2.98Å; C162-E166 PolarHBondContact O-N 3.14Å; D163-E166 PolarHBondContact O-N 3.44Å; L164-E166 VanDerWaalsContact C-N 3.35Å; E166-V169 PolarHBondContact O-N 2.81Å; E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.32Å; E166-K170 PolarHBondContact O-N 3.36Å
167	E	64.1	Low	56.5	Low	87 Å²	87	67.5 Å²	67.5	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-39.5	175.9	-72.1	-61.9	129.6	0	0	112.5	D163 V165 K170 A171	D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.93Å; V165-E167 PolarHBondContact O-N 3.44Å; E167-K170 PolarHBondContact O-N 2.89Å; E167-K170 IonicContact OE1-NZ 2.74Å; E167-K170 PolarHBondContact OE1-NZ 3.3Å; E167-A171 PolarHBondContact O-N 3.39Å
168	A	62.5	Low	57	Low	2 Å²	2	63.6 Å²	63.6	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-37.4	175.7	0	0	0	0	0	112.4	R145 F149 L164 V165 A171 T172	R145-A168 HydrophobicContact CG-CB 4.31Å; F149-A168 HydrophobicContact CE2-CB 3.77Å; F149-A168 HydrophobicContact CZ-CB 3.95Å; L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.29Å; V165-A168 PolarHBondContact O-N 2.97Å; A168-A171 PolarHBondContact O-N 2.95Å; A168-T172 PolarHBondContact O-N 3.42Å; A168-T172 PolarHBondContact O-OG1 3.42Å
169	V	64	Low	57.3	Low	38 Å²	38	60.7 Å²	60.7	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-66.8	-44.1	174	172.7	0	0	0	0	110.5	V165 E166 A171 T172 L180	V165-V169 HydrophobicContact CG1-CG2 4.21Å; V165-V169 WeakPolarHBondContact O-CB 3.4Å; V165-V169 VanDerWaalsContact O-CG2 3.26Å; V165-V169 WeakPolarHBondContact O-CG2 3.48Å; V165-V169 PolarHBondContact O-N 3.33Å; E166-V169 PolarHBondContact O-N 2.81Å; V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.26Å; V169-T172 WeakPolarHBondContact O-CB 3.46Å; V169-T172 PolarHBondContact O-N 3.22Å; V169-L180 HydrophobicContact CG1-CB 4.49Å; V169-L180 HydrophobicContact CG2-CB 4.24Å; V169-L180 HydrophobicContact CG2-CD1 4.34Å
170	K	67.4	Low	57.4	Low	128 Å²	128	55.2 Å²	55.2	56%	0.557	30%	0.303	S	S	*	.	H	α-helix	trans	-58.8	-37	175.2	-73.9	173.5	-162.6	166.8	0	112.9	E166 E167 T172	E166-K170 VanDerWaalsContact O-CG 3.3Å; E166-K170 WeakPolarHBondContact O-CG 3.32Å; E166-K170 PolarHBondContact O-N 3.36Å; E167-K170 PolarHBondContact O-N 2.89Å; E167-K170 IonicContact OE1-NZ 2.74Å; E167-K170 PolarHBondContact OE1-NZ 3.3Å; K170-T172 VanDerWaalsContact C-N 3.27Å; K170-T172 PolarHBondContact O-N 3.34Å
171	A	66.7	Low	57.3	Low	56 Å²	56	53.6 Å²	53.6	46%	0.463	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-9.9	178	0	0	0	0	0	113.9	I148 E167 A168 V169	I148-A171 HydrophobicContact CD1-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.39Å; A168-A171 PolarHBondContact O-N 2.95Å; V169-A171 VanDerWaalsContact C-N 3.27Å; V169-A171 PolarHBondContact O-N 3.26Å
172	T	62.6	Low	56.9	Low	3 Å²	3	55.3 Å²	55.3	2%	0.018	30%	0.302	C	S	.	.	S	Bend	trans	-78.5	135.6	177.9	-57.2	0	0	0	0	109.9	A168 V169 K170 K177 L180	A168-T172 PolarHBondContact O-N 3.42Å; A168-T172 PolarHBondContact O-OG1 3.42Å; V169-T172 WeakPolarHBondContact O-CB 3.46Å; V169-T172 PolarHBondContact O-N 3.22Å; K170-T172 VanDerWaalsContact C-N 3.27Å; K170-T172 PolarHBondContact O-N 3.34Å; T172-K177 WeakPolarHBondContact O-CE 3.24Å; T172-L180 HydrophobicContact CG2-CD1 3.71Å; T172-L180 VanDerWaalsContact OG1-CD1 3.26Å; T172-L180 WeakPolarHBondContact OG1-CD1 3.47Å
173	P	57	Low	56.4	Low	44 Å²	44	57.5 Å²	57.5	29%	0.286	31%	0.313	S	S	.	.			trans	-55.1	151.4	173.7	-25.8	34.5	0	0	0	112.5	S141 Y175 G176 K177	S141-P173 VanDerWaalsContact OG-CD 3.31Å; S141-P173 WeakPolarHBondContact OG-CD 3.45Å; P173-Y175 HydrophobicContact CB-CD1 3.58Å; P173-Y175 HydrophobicContact CB-CE1 3.28Å; P173-Y175 HydrophobicContact CG-CE1 3.82Å; P173-Y175 PolarHBondContact O-N 3.45Å; P173-Y175 VanDerWaalsContact O-N 3.09Å; P173-G176 CarbonylContact O-C 3.52Å; P173-G176 WeakPolarHBondContact O-CA 3.43Å; P173-G176 PolarHBondContact O-N 3.24Å; P173-K177 PolarHBondContact O-N 2.86Å
174	D	58.9	Low	55.5	Low	121 Å²	121	62.4 Å²	62.4	65%	0.647	34%	0.335	S	S	*	.	H	α-helix	trans	-54.6	-35.9	-173.1	-65.7	-30.3	0	0	0	114.1	G176 K177	D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 3.19Å; D174-K177 WeakPolarHBondContact O-CB 3.47Å; D174-K177 PolarHBondContact O-N 2.86Å; D174-K177 VanDerWaalsContact OD1-CE 3.32Å; D174-K177 WeakPolarHBondContact OD1-CE 3.44Å; D174-K177 IonicContact OD1-NZ 2.74Å; D174-K177 PolarHBondContact OD1-NZ 3.4Å
175	Y	53.4	Low	54.8	Low	92 Å²	92	62.7 Å²	62.7	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-31.9	175.8	72.7	-93.6	0	0	0	113.1	Y134 M137 E138 P173	Y134-Y175 HydrophobicContact CE2-CE2 4.33Å; M137-Y175 HydrophobicContact CE-CE1 4.2Å; E138-Y175 HydrophobicContact CG-CE2 4.24Å; P173-Y175 HydrophobicContact CB-CD1 3.58Å; P173-Y175 HydrophobicContact CB-CE1 3.28Å; P173-Y175 HydrophobicContact CG-CE1 3.82Å; P173-Y175 PolarHBondContact O-N 3.45Å; P173-Y175 VanDerWaalsContact O-N 3.09Å
176	G	51	Low	53.7	Low	2 Å²	2	67 Å²	67	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-85.7	-17.6	175.8	0	0	0	0	0	112.8	P173 D174 G178 L179 L180	P173-G176 CarbonylContact O-C 3.52Å; P173-G176 WeakPolarHBondContact O-CA 3.43Å; P173-G176 PolarHBondContact O-N 3.24Å; D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 3.19Å; G176-G178 VanDerWaalsContact C-N 3.33Å; G176-L179 PolarHBondContact O-N 2.83Å; G176-L180 WeakPolarHBondContact O-CG 3.36Å; G176-L180 PolarHBondContact O-N 2.74Å
177	K	58	Low	52.5	Low	73 Å²	73	72.8 Å²	72.8	32%	0.317	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-41.1	174	-70.2	-177.7	-174	162.4	0	111	T172 P173 D174 L179 L180 D181	T172-K177 WeakPolarHBondContact O-CE 3.24Å; P173-K177 PolarHBondContact O-N 2.86Å; D174-K177 WeakPolarHBondContact O-CB 3.47Å; D174-K177 PolarHBondContact O-N 2.86Å; D174-K177 VanDerWaalsContact OD1-CE 3.32Å; D174-K177 WeakPolarHBondContact OD1-CE 3.44Å; D174-K177 IonicContact OD1-NZ 2.74Å; D174-K177 PolarHBondContact OD1-NZ 3.4Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.25Å; K177-L180 CarbonylContact O-C 3.55Å; K177-L180 VanDerWaalsContact O-C 3.3Å; K177-L180 WeakPolarHBondContact O-CA 3.21Å; K177-L180 PolarHBondContact O-N 2.78Å; K177-D181 WeakPolarHBondContact O-CA 3.47Å; K177-D181 WeakPolarHBondContact O-CB 3.46Å; K177-D181 PolarHBondContact O-N 3.25Å
178	G	53.1	Low	51.3	Low	48 Å²	48	73.7 Å²	73.7	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-36	178.2	0	0	0	0	0	114	G176 L180	G176-G178 VanDerWaalsContact C-N 3.33Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 2.97Å
179	L	49.9	Very low	50.5	Low	32 Å²	32	79.8 Å²	79.8	17%	0.168	41%	0.41	C	S	.	.	H	α-helix	trans	-72.8	-22.2	173.8	-68.9	168.9	0	0	0	113.3	C81 G176 K177	C81-L179 VanDerWaalsContact SG-CD1 3.51Å; G176-L179 PolarHBondContact O-N 2.83Å; K177-L179 VanDerWaalsContact C-N 3.29Å; K177-L179 PolarHBondContact O-N 3.25Å
180	L	50.4	Low	50	Low	7 Å²	7	80.2 Å²	80.2	4%	0.037	42%	0.415	C	S	.	.	H	α-helix	trans	-103	-6.3	-179.8	-67.1	-176.8	0	0	0	113	V169 T172 G176 K177 G178 L182 E199 A200	V169-L180 HydrophobicContact CG1-CB 4.49Å; V169-L180 HydrophobicContact CG2-CB 4.24Å; V169-L180 HydrophobicContact CG2-CD1 4.34Å; T172-L180 HydrophobicContact CG2-CD1 3.71Å; T172-L180 VanDerWaalsContact OG1-CD1 3.26Å; T172-L180 WeakPolarHBondContact OG1-CD1 3.47Å; G176-L180 WeakPolarHBondContact O-CG 3.36Å; G176-L180 PolarHBondContact O-N 2.74Å; K177-L180 CarbonylContact O-C 3.55Å; K177-L180 VanDerWaalsContact O-C 3.3Å; K177-L180 WeakPolarHBondContact O-CA 3.21Å; K177-L180 PolarHBondContact O-N 2.78Å; G178-L180 VanDerWaalsContact C-N 3.29Å; G178-L180 PolarHBondContact O-N 2.97Å; L180-L182 PolarHBondContact O-N 3.37Å; L180-E199 WeakPolarHBondContact CD2-OE2 3.45Å; L180-A200 HydrophobicContact CD2-CB 3.64Å
181	D	49.5	Very low	49.2	Very low	58 Å²	58	74.8 Å²	74.8	31%	0.31	39%	0.391	S	S	.	.			trans	-77.4	84.7	-177.7	-163.3	-13.7	0	0	0	108.3	K177 T183 E184	K177-D181 WeakPolarHBondContact O-CA 3.47Å; K177-D181 WeakPolarHBondContact O-CB 3.46Å; K177-D181 PolarHBondContact O-N 3.25Å; D181-T183 VanDerWaalsContact CG-OG1 3.28Å; D181-T183 PolarHBondContact O-N 3.28Å; D181-T183 VanDerWaalsContact OD1-CB 3.23Å; D181-T183 WeakPolarHBondContact OD1-CB 3.22Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.32Å; D181-T183 PolarHBondContact OD1-N 3.3Å; D181-T183 PolarHBondContact OD1-OG1 3.29Å; D181-T183 PolarHBondContact OD2-OG1 2.73Å; D181-E184 PolarHBondContact O-N 3.39Å
182	L	43.3	Very low	48.6	Very low	79 Å²	79	72.8 Å²	72.8	41%	0.414	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-3.4	174.3	-61.8	176.4	0	0	0	112.5	L180 V185 A197	L180-L182 PolarHBondContact O-N 3.37Å; L182-V185 VanDerWaalsContact O-O 3.14Å; L182-A197 HydrophobicContact CD2-CB 4.43Å
183	T	41	Very low	48	Very low	121 Å²	121	73.4 Å²	73.4	74%	0.742	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-29.2	175.8	73.3	0	0	0	0	112.9	D181	D181-T183 VanDerWaalsContact CG-OG1 3.28Å; D181-T183 PolarHBondContact O-N 3.28Å; D181-T183 VanDerWaalsContact OD1-CB 3.23Å; D181-T183 WeakPolarHBondContact OD1-CB 3.22Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.32Å; D181-T183 PolarHBondContact OD1-N 3.3Å; D181-T183 PolarHBondContact OD1-OG1 3.29Å; D181-T183 PolarHBondContact OD2-OG1 2.73Å
184	E	38	Very low	47.8	Very low	159 Å²	159	72.5 Å²	72.5	74%	0.743	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-28.2	174.2	-71	-165.2	163.2	0	0	112.8	D181 D186	D181-E184 PolarHBondContact O-N 3.39Å; E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.49Å
185	V	40	Very low	47.8	Very low	32 Å²	32	67.1 Å²	67.1	19%	0.194	34%	0.343	C	S	.	.	S	Bend	trans	-74.5	91.3	167.7	-169.5	0	0	0	0	106.3	L182 R187 A193 M196	L182-V185 VanDerWaalsContact O-O 3.14Å; V185-R187 PolarHBondContact O-N 3.28Å; V185-A193 HydrophobicContact CG1-CB 3.48Å; V185-A193 VanDerWaalsContact CG1-CB 3.48Å; V185-M196 HydrophobicContact CG1-CE 4.17Å; V185-M196 HydrophobicContact CG2-CE 3.71Å; V185-M196 HydrophobicContact CG2-SD 3.78Å
186	D	34.9	Very low	48.1	Very low	111 Å²	111	63.4 Å²	63.4	59%	0.594	33%	0.329	S	S	*	.			trans	-41.3	136.6	164.8	-156.1	-17.4	0	0	0	107.1	E184 D188	E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.49Å; D186-D188 HydrophobicContact CB-CB 4.42Å; D186-D188 PolarHBondContact O-N 2.89Å
187	R	37.1	Very low	48.3	Very low	236 Å²	236	64 Å²	64	89%	0.891	33%	0.334	S	S	*	.	S	Bend	trans	-65.7	19.9	-178.7	-66.3	179.5	179.6	177.4	0.1	112.2	V185 K189	V185-R187 PolarHBondContact O-N 3.28Å; R187-K189 PolarHBondContact O-N 3.14Å
188	D	39.5	Very low	48.4	Very low	106 Å²	106	60.8 Å²	60.8	57%	0.567	32%	0.32	S	S	*	.			trans	-43.3	129	159.5	-77.6	-16.4	0	0	0	109.7	D186 S190	D186-D188 HydrophobicContact CB-CB 4.42Å; D186-D188 PolarHBondContact O-N 2.89Å; D188-S190 PolarHBondContact O-N 2.95Å
189	K	45.4	Very low	48.9	Very low	130 Å²	130	58.7 Å²	58.7	57%	0.565	30%	0.297	S	S	*	.			trans	-70.4	49.4	-170.3	-61.1	168.4	179	175.8	0	111	R187 D222 L225	R187-K189 PolarHBondContact O-N 3.14Å; K189-D222 HydrophobicContact CD-CB 4.36Å; K189-L225 HydrophobicContact CB-CD1 3.67Å; K189-L225 WeakPolarHBondContact O-CD1 3.4Å
190	S	52.2	Low	49.3	Very low	47 Å²	47	57.3 Å²	57.3	33%	0.329	29%	0.291	S	S	.	.			trans	-94	141.7	-179.6	75.5	0	0	0	0	110.5	D188 A192 A193 Q194	D188-S190 PolarHBondContact O-N 2.95Å; S190-A192 PolarHBondContact O-N 2.88Å; S190-A193 PolarHBondContact O-N 3.21Å; S190-A193 PolarHBondContact OG-N 3.11Å; S190-Q194 PolarHBondContact O-N 3.32Å
191	F	51.6	Low	49.7	Very low	14 Å²	14	57.2 Å²	57.2	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-30.1	174.4	-178.9	-101.5	0	0	0	111.9	Q194 L195 L303 L314 L317 V318	F191-Q194 PolarHBondContact O-N 3.04Å; F191-L195 HydrophobicContact CD1-CD1 3.66Å; F191-L195 HydrophobicContact CD1-CG 4.04Å; F191-L195 HydrophobicContact CE1-CD1 3.42Å; F191-L195 VanDerWaalsContact CE1-CD1 3.42Å; F191-L195 HydrophobicContact CE1-CD2 4.21Å; F191-L195 HydrophobicContact CE1-CG 3.83Å; F191-L195 HydrophobicContact CZ-CD1 4.24Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.21Å; F191-L195 PolarHBondContact O-N 3.34Å; F191-L303 HydrophobicContact CB-CD2 4.23Å; F191-L314 HydrophobicContact CB-CD1 4.16Å; F191-L314 HydrophobicContact CD1-CD1 3.49Å; F191-L314 VanDerWaalsContact CD1-CD1 3.49Å; F191-L314 HydrophobicContact CD1-CG 4.45Å; F191-L314 HydrophobicContact CE1-CD1 4.34Å; F191-L314 HydrophobicContact CG-CD1 4.27Å; F191-L317 HydrophobicContact CE1-CD2 4.28Å; F191-V318 HydrophobicContact CD1-CG2 4Å; F191-V318 HydrophobicContact CE1-CG2 3.5Å; F191-V318 VanDerWaalsContact CE1-CG2 3.5Å; F191-V318 HydrophobicContact CE2-CG2 4.44Å; F191-V318 HydrophobicContact CZ-CG2 3.77Å
192	A	53.5	Low	50.4	Low	14 Å²	14	55 Å²	55	12%	0.116	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-46.1	175.5	0	0	0	0	0	112.4	I83 S190 Q194 L195 M196	I83-A192 HydrophobicContact CG2-CB 4.14Å; S190-A192 PolarHBondContact O-N 2.88Å; A192-Q194 PolarHBondContact O-N 2.84Å; A192-L195 PolarHBondContact O-N 2.86Å; A192-M196 HydrophobicContact CB-CE 4.21Å; A192-M196 WeakPolarHBondContact O-CG 3.47Å; A192-M196 PolarHBondContact O-N 3.07Å
193	A	51.4	Low	51.3	Low	15 Å²	15	52 Å²	52	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-56.4	-36.4	175.2	0	0	0	0	0	112.5	V185 S190 M196 A197	V185-A193 HydrophobicContact CG1-CB 3.48Å; V185-A193 VanDerWaalsContact CG1-CB 3.48Å; S190-A193 PolarHBondContact O-N 3.21Å; S190-A193 PolarHBondContact OG-N 3.11Å; A193-M196 PolarHBondContact O-N 3.12Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.45Å
194	Q	52.9	Low	52.2	Low	25 Å²	25	46.4 Å²	46.4	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-78.1	-36	179.5	-70.9	165.9	19.2	0	0	113.1	S190 F191 A192 M196 A197 L198 L225 V229	S190-Q194 PolarHBondContact O-N 3.32Å; F191-Q194 PolarHBondContact O-N 3.04Å; A192-Q194 PolarHBondContact O-N 2.84Å; Q194-M196 VanDerWaalsContact C-N 3.3Å; Q194-A197 PolarHBondContact O-N 3.07Å; Q194-L198 VanDerWaalsContact O-CB 3.24Å; Q194-L198 WeakPolarHBondContact O-CB 3.04Å; Q194-L198 PolarHBondContact O-N 2.88Å; Q194-L225 VanDerWaalsContact NE2-CB 3.31Å; Q194-L225 VanDerWaalsContact NE2-CD1 3.31Å; Q194-V229 HydrophobicContact CB-CG2 3.89Å; Q194-V229 HydrophobicContact CG-CG2 3.99Å
195	L	57.6	Low	53	Low	8 Å²	8	39.1 Å²	39.1	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-40.2	168.7	-75.2	175.7	0	0	0	111	L80 I83 F191 A192 L198 E199 F232 L317	L80-L195 HydrophobicContact CD2-CB 3.47Å; L80-L195 VanDerWaalsContact CD2-CB 3.47Å; L80-L195 HydrophobicContact CD2-CD1 4.41Å; L80-L195 HydrophobicContact CG-CB 4.15Å; I83-L195 HydrophobicContact CD1-CD1 4.18Å; F191-L195 HydrophobicContact CD1-CD1 3.66Å; F191-L195 HydrophobicContact CD1-CG 4.04Å; F191-L195 HydrophobicContact CE1-CD1 3.42Å; F191-L195 VanDerWaalsContact CE1-CD1 3.42Å; F191-L195 HydrophobicContact CE1-CD2 4.21Å; F191-L195 HydrophobicContact CE1-CG 3.83Å; F191-L195 HydrophobicContact CZ-CD1 4.24Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.21Å; F191-L195 PolarHBondContact O-N 3.34Å; A192-L195 PolarHBondContact O-N 2.86Å; L195-L198 WeakPolarHBondContact O-CB 3.49Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-E199 WeakPolarHBondContact O-CB 3.26Å; L195-E199 PolarHBondContact O-N 3.48Å; L195-F232 HydrophobicContact CD2-CE2 4.29Å; L195-F232 HydrophobicContact CD2-CZ 4.17Å; L195-L317 HydrophobicContact CD1-CD2 3.42Å; L195-L317 VanDerWaalsContact CD1-CD2 3.42Å
196	M	59.7	Low	53.9	Low	14 Å²	14	44.3 Å²	44.3	7%	0.069	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-50.2	174.5	-71.9	-173.9	-106.4	0	0	110.8	L80 V185 A192 A193 Q194 L198 E199 A200	L80-M196 HydrophobicContact CD1-CB 4.31Å; L80-M196 HydrophobicContact CD1-CG 3.89Å; L80-M196 HydrophobicContact CD2-CB 4.41Å; L80-M196 HydrophobicContact CD2-CG 3.51Å; L80-M196 HydrophobicContact CG-CG 4.24Å; V185-M196 HydrophobicContact CG1-CE 4.17Å; V185-M196 HydrophobicContact CG2-CE 3.71Å; V185-M196 HydrophobicContact CG2-SD 3.78Å; A192-M196 HydrophobicContact CB-CE 4.21Å; A192-M196 WeakPolarHBondContact O-CG 3.47Å; A192-M196 PolarHBondContact O-N 3.07Å; A193-M196 PolarHBondContact O-N 3.12Å; Q194-M196 VanDerWaalsContact C-N 3.3Å; M196-L198 PolarHBondContact O-N 3.2Å; M196-E199 PolarHBondContact O-N 2.88Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 2.82Å
197	A	55.7	Low	55	Low	14 Å²	14	43.1 Å²	43.1	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-32.3	177.4	0	0	0	0	0	111.5	L182 A193 Q194 N201 W216	L182-A197 HydrophobicContact CD2-CB 4.43Å; A193-A197 WeakPolarHBondContact O-CB 3.4Å; A193-A197 PolarHBondContact O-N 3.45Å; Q194-A197 PolarHBondContact O-N 3.07Å; A197-N201 WeakPolarHBondContact O-CB 2.99Å; A197-N201 VanDerWaalsContact O-CG 3.28Å; A197-N201 PolarHBondContact O-N 3.39Å; A197-N201 PolarHBondContact O-ND2 2.73Å; A197-W216 HydrophobicContact CB-CH2 4.2Å; A197-W216 HydrophobicContact CB-CZ2 3.65Å
198	L	60.5	Low	55.7	Low	6 Å²	6	34 Å²	34	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-45.3	173.4	175.7	59.4	0	0	0	112.9	I76 Q194 L195 M196 A200 N201 V202 I205 F232 L233	I76-L198 HydrophobicContact CD1-CD2 4.22Å; I76-L198 HydrophobicContact CD1-CG 4.31Å; Q194-L198 VanDerWaalsContact O-CB 3.24Å; Q194-L198 WeakPolarHBondContact O-CB 3.04Å; Q194-L198 PolarHBondContact O-N 2.88Å; L195-L198 WeakPolarHBondContact O-CB 3.49Å; L195-L198 PolarHBondContact O-N 3.36Å; M196-L198 PolarHBondContact O-N 3.2Å; L198-A200 PolarHBondContact O-N 2.83Å; L198-N201 CarbonylContact O-C 3.53Å; L198-N201 PolarHBondContact O-N 2.87Å; L198-V202 HydrophobicContact CD1-CB 4.42Å; L198-V202 WeakPolarHBondContact O-CA 3.49Å; L198-V202 WeakPolarHBondContact O-CB 3.3Å; L198-V202 PolarHBondContact O-N 3.31Å; L198-I205 HydrophobicContact CD1-CD1 4.01Å; L198-F232 HydrophobicContact CD2-CD1 2.99Å; L198-F232 HydrophobicContact CD2-CE1 3.03Å; L198-F232 HydrophobicContact CD2-CG 4.19Å; L198-F232 HydrophobicContact CD2-CZ 4.23Å; L198-F232 HydrophobicContact CG-CD1 4.47Å; L198-F232 HydrophobicContact CG-CE1 4.38Å; L198-L233 HydrophobicContact CD1-CD2 3.25Å; L198-L233 HydrophobicContact CD1-CG 4.35Å
199	E	63.4	Low	56.3	Low	4 Å²	4	32.8 Å²	32.8	2%	0.019	17%	0.171	C	C	.	.	H	α-helix	trans	-54.4	-44.7	175.6	-163	-76	162.7	0	0	110.4	I76 R77 L80 R145 L180 L195 M196 N201	I76-E199 HydrophobicContact CB-CB 4.48Å; I76-E199 HydrophobicContact CB-CG 4.29Å; I76-E199 HydrophobicContact CG2-CB 3.68Å; I76-E199 HydrophobicContact CG2-CG 3.95Å; R77-E199 HydrophobicContact CB-CG 3.98Å; R77-E199 IonicContact CZ-OE1 2.68Å; R77-E199 IonicContact NE-OE1 2.7Å; R77-E199 PolarHBondContact NE-OE1 3.11Å; R77-E199 IonicContact NH2-OE1 2.74Å; R77-E199 PolarHBondContact NH2-OE1 3.06Å; R77-E199 IonicContact NH2-OE2 2.68Å; L80-E199 HydrophobicContact CD1-CB 3.66Å; L80-E199 HydrophobicContact CD1-CG 4.02Å; R145-E199 IonicContact CZ-OE1 3.17Å; R145-E199 IonicContact CZ-OE2 2.77Å; R145-E199 PolarHBondContact NH1-O 3.01Å; R145-E199 IonicContact NH1-OE1 3.38Å; R145-E199 IonicContact NH1-OE2 3.5Å; R145-E199 PolarHBondContact NH1-OE2 3.28Å; R145-E199 VanDerWaalsContact NH2-CD 3.35Å; R145-E199 IonicContact NH2-OE1 3.49Å; R145-E199 PolarHBondContact NH2-OE1 2.94Å; R145-E199 IonicContact NH2-OE2 2.74Å; R145-E199 PolarHBondContact NH2-OE2 3.11Å; L180-E199 WeakPolarHBondContact CD2-OE2 3.45Å; L195-E199 WeakPolarHBondContact O-CB 3.26Å; L195-E199 PolarHBondContact O-N 3.48Å; M196-E199 PolarHBondContact O-N 2.88Å; E199-N201 PolarHBondContact O-N 2.93Å
200	A	59	Low	56.5	Low	4 Å²	4	30.7 Å²	30.7	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-34.2	176.6	0	0	0	0	0	112.4	L180 M196 L198	L180-A200 HydrophobicContact CD2-CB 3.64Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 2.82Å; L198-A200 PolarHBondContact O-N 2.83Å
201	N	57.5	Low	56.1	Low	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-117.2	-0.9	-163.9	-71.1	-51.9	0	0	0	115	F161 V165 A197 L198 E199 F203 G204 I205	F161-N201 HydrophobicContact CE2-CB 4.47Å; F161-N201 HydrophobicContact CZ-CB 3.78Å; F161-N201 WeakPolarHBondContact CZ-OD1 3.21Å; V165-N201 WeakPolarHBondContact CG2-OD1 3.37Å; A197-N201 WeakPolarHBondContact O-CB 2.99Å; A197-N201 VanDerWaalsContact O-CG 3.28Å; A197-N201 PolarHBondContact O-N 3.39Å; A197-N201 PolarHBondContact O-ND2 2.73Å; L198-N201 CarbonylContact O-C 3.53Å; L198-N201 PolarHBondContact O-N 2.87Å; E199-N201 PolarHBondContact O-N 2.93Å; N201-F203 PolarHBondContact O-N 3.27Å; N201-F203 VanDerWaalsContact O-N 3.1Å; N201-G204 CarbonylContact O-C 3.3Å; N201-G204 PolarHBondContact O-N 2.93Å; N201-I205 HydrophobicContact CB-CD1 3.56Å; N201-I205 HydrophobicContact CB-CG1 3.89Å; N201-I205 WeakPolarHBondContact O-CB 2.77Å; N201-I205 WeakPolarHBondContact O-CG1 3.34Å; N201-I205 PolarHBondContact O-N 2.74Å
202	V	63.6	Low	56	Low	11 Å²	11	39.1 Å²	39.1	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-54.8	-38.9	-170.2	65.7	0	0	0	0	112.4	A73 L198 R206	A73-V202 HydrophobicContact CB-CG1 3.79Å; L198-V202 HydrophobicContact CD1-CB 4.42Å; L198-V202 WeakPolarHBondContact O-CA 3.49Å; L198-V202 WeakPolarHBondContact O-CB 3.3Å; L198-V202 PolarHBondContact O-N 3.31Å; V202-R206 WeakPolarHBondContact O-CB 3.31Å; V202-R206 PolarHBondContact O-N 3.27Å
203	F	62.8	Low	55.9	Low	16 Å²	16	39.2 Å²	39.2	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-72.2	-45.9	175.8	-58.7	-64.3	0	0	0	112.3	I70 A73 I142 A146 F149 N201 R206 L207	I70-F203 HydrophobicContact CG1-CZ 4.43Å; A73-F203 HydrophobicContact CB-CE2 4.1Å; A73-F203 HydrophobicContact CB-CZ 3.83Å; I142-F203 HydrophobicContact CG2-CE2 3.85Å; I142-F203 HydrophobicContact CG2-CZ 3.63Å; A146-F203 HydrophobicContact CB-CD1 3.9Å; A146-F203 HydrophobicContact CB-CD2 4.14Å; A146-F203 HydrophobicContact CB-CE1 3.67Å; A146-F203 HydrophobicContact CB-CE2 3.92Å; A146-F203 HydrophobicContact CB-CG 4.14Å; A146-F203 HydrophobicContact CB-CZ 3.69Å; F149-F203 HydrophobicContact CB-CB 3.82Å; F149-F203 HydrophobicContact CD2-CB 3.52Å; F149-F203 HydrophobicContact CD2-CD2 4.18Å; F149-F203 HydrophobicContact CD2-CG 4.29Å; F149-F203 HydrophobicContact CE2-CB 4.24Å; F149-F203 HydrophobicContact CG-CB 3.77Å; N201-F203 PolarHBondContact O-N 3.27Å; N201-F203 VanDerWaalsContact O-N 3.1Å; F203-R206 PolarHBondContact O-N 3.05Å; F203-L207 WeakPolarHBondContact O-CD1 3.49Å; F203-L207 VanDerWaalsContact O-CG 3.31Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 3.03Å
204	G	61.2	Low	55.8	Low	5 Å²	5	40.4 Å²	40.4	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-45.5	177.5	0	0	0	0	0	112.4	F149 N201 R206 L207 L208	F149-G204 VanDerWaalsContact CD1-CA 3.49Å; N201-G204 CarbonylContact O-C 3.3Å; N201-G204 PolarHBondContact O-N 2.93Å; G204-R206 VanDerWaalsContact C-N 3.32Å; G204-R206 PolarHBondContact O-N 3.43Å; G204-L207 PolarHBondContact O-N 3.45Å; G204-L207 VanDerWaalsContact O-N 3.1Å; G204-L208 WeakPolarHBondContact O-CG 3.23Å; G204-L208 PolarHBondContact O-N 3.48Å
205	I	54	Low	55.8	Low	5 Å²	5	44 Å²	44	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-36.5	-179.7	-66.5	168.7	0	0	0	111.6	F161 L198 N201 L207 L208 R213 W216 L233	F161-I205 HydrophobicContact CE2-CG1 4.25Å; F161-I205 HydrophobicContact CZ-CG1 4.14Å; L198-I205 HydrophobicContact CD1-CD1 4.01Å; N201-I205 HydrophobicContact CB-CD1 3.56Å; N201-I205 HydrophobicContact CB-CG1 3.89Å; N201-I205 WeakPolarHBondContact O-CB 2.77Å; N201-I205 WeakPolarHBondContact O-CG1 3.34Å; N201-I205 PolarHBondContact O-N 2.74Å; I205-L207 PolarHBondContact O-N 3.46Å; I205-L208 PolarHBondContact O-N 3.09Å; I205-R213 HydrophobicContact CG2-CB 4.12Å; I205-R213 HydrophobicContact CG2-CG 3.54Å; I205-W216 HydrophobicContact CD1-CD2 4.13Å; I205-W216 HydrophobicContact CD1-CE3 3.68Å; I205-W216 HydrophobicContact CD1-CH2 4.02Å; I205-W216 HydrophobicContact CD1-CZ2 4.43Å; I205-W216 HydrophobicContact CD1-CZ3 3.62Å; I205-L233 HydrophobicContact CB-CD2 4.28Å; I205-L233 HydrophobicContact CD1-CD1 4.48Å; I205-L233 HydrophobicContact CD1-CD2 3.74Å; I205-L233 HydrophobicContact CG2-CD1 4.15Å; I205-L233 HydrophobicContact CG2-CD2 3.56Å; I205-L233 HydrophobicContact CG2-CG 4.43Å
206	R	58.1	Low	55.6	Low	141 Å²	141	45.5 Å²	45.5	53%	0.532	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-31.5	175.1	-179.6	179.2	169.1	-168.3	-5.3	112.6	S69 V202 F203 G204	S69-R206 PolarHBondContact OG-NH1 3.4Å; V202-R206 WeakPolarHBondContact O-CB 3.31Å; V202-R206 PolarHBondContact O-N 3.27Å; F203-R206 PolarHBondContact O-N 3.05Å; G204-R206 VanDerWaalsContact C-N 3.32Å; G204-R206 PolarHBondContact O-N 3.43Å
207	L	58	Low	55.3	Low	87 Å²	87	44.8 Å²	44.8	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-82.9	-16.3	-178.1	-62.8	164.2	0	0	0	112.3	F149 A153 F203 G204 I205	F149-L207 HydrophobicContact CB-CD1 3.9Å; F149-L207 WeakPolarHBondContact O-CD1 3.41Å; A153-L207 HydrophobicContact CB-CB 4.22Å; A153-L207 HydrophobicContact CB-CD1 3.55Å; A153-L207 HydrophobicContact CB-CD2 3.78Å; A153-L207 HydrophobicContact CB-CG 4.01Å; F203-L207 WeakPolarHBondContact O-CD1 3.49Å; F203-L207 VanDerWaalsContact O-CG 3.31Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 3.03Å; G204-L207 PolarHBondContact O-N 3.45Å; G204-L207 VanDerWaalsContact O-N 3.1Å; I205-L207 PolarHBondContact O-N 3.46Å
208	L	52.3	Low	54.8	Low	44 Å²	44	49.1 Å²	49.1	23%	0.23	24%	0.244	C	C	.	.	S	Bend	trans	-80.8	139.1	178.2	-67.1	176.5	0	0	0	111.8	F161 G204 I205 R212 R213	F161-L208 HydrophobicContact CD2-CD1 3.87Å; F161-L208 HydrophobicContact CE2-CD1 4.04Å; G204-L208 WeakPolarHBondContact O-CG 3.23Å; G204-L208 PolarHBondContact O-N 3.48Å; I205-L208 PolarHBondContact O-N 3.09Å; L208-R212 HydrophobicContact CB-CB 4.17Å; L208-R212 HydrophobicContact CD1-CB 4.36Å; L208-R212 HydrophobicContact CD2-CB 4.19Å; L208-R212 HydrophobicContact CG-CB 4.48Å; L208-R213 HydrophobicContact CB-CB 4.33Å
209	P	53.1	Low	54.4	Low	81 Å²	81	53.1 Å²	53.1	53%	0.526	27%	0.273	S	S	.	.			trans	-55.7	146.3	164.2	-22	32.5	0	0	0	110.7	P211 R212 R213	P209-P211 VanDerWaalsContact C-N 3.27Å; P209-P211 WeakPolarHBondContact O-CD 3.41Å; P209-R212 PolarHBondContact O-N 2.88Å; P209-R213 PolarHBondContact O-N 2.97Å; P209-R213 VanDerWaalsContact O-N 3.13Å
210	T	49.5	Very low	53.7	Low	86 Å²	86	53.8 Å²	53.8	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-44.1	-41.9	-178.2	-48.6	0	0	0	0	114.6	R213 N214	T210-R213 PolarHBondContact O-N 3.13Å; T210-N214 PolarHBondContact O-N 3.05Å; T210-N214 PolarHBondContact O-ND2 3.2Å; T210-N214 PolarHBondContact O-OD1 2.73Å
211	P	42.3	Very low	53.3	Low	86 Å²	86	57.5 Å²	57.5	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-58.7	-49.1	176.5	-24.5	35	0	0	0	113.7	P209 R213 N214 D215	P209-P211 VanDerWaalsContact C-N 3.27Å; P209-P211 WeakPolarHBondContact O-CD 3.41Å; P211-R213 PolarHBondContact O-N 3.36Å; P211-N214 WeakPolarHBondContact O-CB 3.36Å; P211-N214 PolarHBondContact O-N 3.22Å; P211-N214 VanDerWaalsContact O-N 3.1Å; P211-D215 PolarHBondContact O-N 3.48Å; P211-D215 VanDerWaalsContact O-N 3.08Å
212	R	49.7	Very low	52.9	Low	152 Å²	152	59.7 Å²	59.7	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-69.4	-33.5	-178.9	-71.5	-171.1	176.6	-170.7	-1.1	112.9	L208 P209 N214 D215	L208-R212 HydrophobicContact CB-CB 4.17Å; L208-R212 HydrophobicContact CD1-CB 4.36Å; L208-R212 HydrophobicContact CD2-CB 4.19Å; L208-R212 HydrophobicContact CG-CB 4.48Å; P209-R212 PolarHBondContact O-N 2.88Å; R212-N214 VanDerWaalsContact C-N 3.27Å; R212-N214 PolarHBondContact O-N 2.71Å; R212-D215 PolarHBondContact O-N 2.93Å
213	R	51.8	Low	52.1	Low	16 Å²	16	63.9 Å²	63.9	6%	0.06	34%	0.342	C	S	.	.	H	α-helix	trans	-59.9	-41.1	170.6	160.6	175.5	165.4	-143.7	-17.2	111.1	I205 L208 P209 T210 P211 L230 L233 D234	I205-R213 HydrophobicContact CG2-CB 4.12Å; I205-R213 HydrophobicContact CG2-CG 3.54Å; L208-R213 HydrophobicContact CB-CB 4.33Å; P209-R213 PolarHBondContact O-N 2.97Å; P209-R213 VanDerWaalsContact O-N 3.13Å; T210-R213 PolarHBondContact O-N 3.13Å; P211-R213 PolarHBondContact O-N 3.36Å; R213-L230 PolarHBondContact NH2-O 2.95Å; R213-L233 HydrophobicContact CG-CD1 4.04Å; R213-L233 VanDerWaalsContact NE-CB 3.26Å; R213-D234 IonicContact CZ-OD1 3.24Å; R213-D234 IonicContact NH1-OD1 3.28Å; R213-D234 PolarHBondContact NH1-OD1 3.02Å; R213-D234 IonicContact NH2-OD1 3.61Å; R213-D234 PolarHBondContact NH2-OD1 3.49Å; R213-D234 IonicContact NH2-OD2 2.65Å
214	N	50.3	Low	51.2	Low	40 Å²	40	66 Å²	66	21%	0.214	36%	0.357	C	S	.	.	H	α-helix	trans	-70.7	-34.8	179.3	-63.4	-9.4	0	0	0	111.4	T210 P211 R212 W216 A217 F218 L230	T210-N214 PolarHBondContact O-N 3.05Å; T210-N214 PolarHBondContact O-ND2 3.2Å; T210-N214 PolarHBondContact O-OD1 2.73Å; P211-N214 WeakPolarHBondContact O-CB 3.36Å; P211-N214 PolarHBondContact O-N 3.22Å; P211-N214 VanDerWaalsContact O-N 3.1Å; R212-N214 VanDerWaalsContact C-N 3.27Å; R212-N214 PolarHBondContact O-N 2.71Å; N214-W216 VanDerWaalsContact C-N 3.25Å; N214-W216 PolarHBondContact O-N 2.71Å; N214-A217 CarbonylContact O-C 3.6Å; N214-A217 PolarHBondContact O-N 2.96Å; N214-F218 HydrophobicContact CB-CD2 3.91Å; N214-F218 HydrophobicContact CB-CE2 3.54Å; N214-F218 HydrophobicContact CB-CZ 4.45Å; N214-F218 WeakPolarHBondContact O-CB 3.26Å; N214-F218 WeakPolarHBondContact O-CD2 3.5Å; N214-F218 WeakPolarHBondContact O-CG 3.37Å; N214-F218 PolarHBondContact O-N 2.92Å; N214-L230 HydrophobicContact CB-CD2 4.1Å; N214-L230 WeakPolarHBondContact OD1-CD2 3.29Å
215	D	52.6	Low	50.5	Low	99 Å²	99	66.2 Å²	66.2	53%	0.529	36%	0.357	S	S	.	.	H	α-helix	trans	-55.3	-39.9	176.7	-63.4	-24.5	0	0	0	112.5	P211 R212 F218 S219	P211-D215 PolarHBondContact O-N 3.48Å; P211-D215 VanDerWaalsContact O-N 3.08Å; R212-D215 PolarHBondContact O-N 2.93Å; D215-F218 PolarHBondContact O-N 3.26Å; D215-S219 PolarHBondContact O-N 3.4Å; D215-S219 VanDerWaalsContact O-N 3.13Å
216	W	52.5	Low	50.4	Low	40 Å²	40	68.5 Å²	68.5	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-47.9	173.4	177	77.5	0	0	0	112.1	F161 A197 I205 N214 F218 S219 V229 L233	F161-W216 AromaticContact CE1-CD1 3.5Å; F161-W216 VanDerWaalsContact CE1-CD1 3.5Å; F161-W216 HydrophobicContact CE1-CG 4.17Å; F161-W216 AromaticContact CE1-NE1 3.82Å; F161-W216 HydrophobicContact CZ-CG 4.45Å; A197-W216 HydrophobicContact CB-CH2 4.2Å; A197-W216 HydrophobicContact CB-CZ2 3.65Å; I205-W216 HydrophobicContact CD1-CD2 4.13Å; I205-W216 HydrophobicContact CD1-CE3 3.68Å; I205-W216 HydrophobicContact CD1-CH2 4.02Å; I205-W216 HydrophobicContact CD1-CZ2 4.43Å; I205-W216 HydrophobicContact CD1-CZ3 3.62Å; N214-W216 VanDerWaalsContact C-N 3.25Å; N214-W216 PolarHBondContact O-N 2.71Å; W216-F218 VanDerWaalsContact C-N 3.26Å; W216-F218 PolarHBondContact O-N 2.84Å; W216-S219 WeakPolarHBondContact O-CB 3.45Å; W216-S219 PolarHBondContact O-N 2.94Å; W216-S219 VanDerWaalsContact O-N 3.12Å; W216-S219 PolarHBondContact O-OG 2.96Å; W216-V229 HydrophobicContact CE3-CG1 4.19Å; W216-V229 HydrophobicContact CH2-CG1 4.21Å; W216-V229 HydrophobicContact CZ3-CG1 3.45Å; W216-V229 VanDerWaalsContact CZ3-CG1 3.45Å; W216-L233 HydrophobicContact CE3-CD1 4.11Å; W216-L233 HydrophobicContact CZ3-CD1 3.99Å
217	A	52.9	Low	50	Low	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.3	-32.1	175.2	0	0	0	0	0	112.1	N214 S219 C220 R226 V229 L230	N214-A217 CarbonylContact O-C 3.6Å; N214-A217 PolarHBondContact O-N 2.96Å; A217-S219 PolarHBondContact O-N 3.45Å; A217-C220 WeakPolarHBondContact O-CB 3.34Å; A217-C220 PolarHBondContact O-N 2.76Å; A217-C220 VanDerWaalsContact O-N 3.08Å; A217-C220 PolarHBondContact O-SG 3.41Å; A217-C220 VanDerWaalsContact O-SG 3.36Å; A217-R226 WeakPolarHBondContact O-CG 3.37Å; A217-V229 HydrophobicContact CB-CG1 3.97Å; A217-L230 HydrophobicContact CB-CD2 3.49Å; A217-L230 VanDerWaalsContact CB-CD2 3.49Å; A217-L230 HydrophobicContact CB-CG 3.75Å
218	F	47	Very low	49.7	Very low	104 Å²	104	62.9 Å²	62.9	46%	0.456	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-25.6	175.4	-75.8	-59.5	0	0	0	112.6	N214 D215 W216 C220 R226	N214-F218 HydrophobicContact CB-CD2 3.91Å; N214-F218 HydrophobicContact CB-CE2 3.54Å; N214-F218 HydrophobicContact CB-CZ 4.45Å; N214-F218 WeakPolarHBondContact O-CB 3.26Å; N214-F218 WeakPolarHBondContact O-CD2 3.5Å; N214-F218 WeakPolarHBondContact O-CG 3.37Å; N214-F218 PolarHBondContact O-N 2.92Å; D215-F218 PolarHBondContact O-N 3.26Å; W216-F218 VanDerWaalsContact C-N 3.26Å; W216-F218 PolarHBondContact O-N 2.84Å; F218-C220 PolarHBondContact O-N 3.27Å; F218-R226 VanDerWaalsContact CD1-CD 3.48Å; F218-R226 HydrophobicContact CD1-CG 4.47Å; F218-R226 PolarHBondContact O-NH2 3.45Å
219	S	50.9	Low	49.7	Very low	90 Å²	90	61.3 Å²	61.3	63%	0.629	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.7	172.6	78.8	0	0	0	0	113.7	D215 W216 A217 A221	D215-S219 PolarHBondContact O-N 3.4Å; D215-S219 VanDerWaalsContact O-N 3.13Å; W216-S219 WeakPolarHBondContact O-CB 3.45Å; W216-S219 PolarHBondContact O-N 2.94Å; W216-S219 VanDerWaalsContact O-N 3.12Å; W216-S219 PolarHBondContact O-OG 2.96Å; A217-S219 PolarHBondContact O-N 3.45Å; S219-A221 PolarHBondContact O-N 2.55Å
220	C	49.7	Very low	49.8	Very low	19 Å²	19	58.5 Å²	58.5	13%	0.128	32%	0.318	C	S	.	.	S	Bend	trans	-67.8	130.4	172.2	-57.5	0	0	0	0	110.6	A217 F218 D222 R226	A217-C220 WeakPolarHBondContact O-CB 3.34Å; A217-C220 PolarHBondContact O-N 2.76Å; A217-C220 VanDerWaalsContact O-N 3.08Å; A217-C220 PolarHBondContact O-SG 3.41Å; A217-C220 VanDerWaalsContact O-SG 3.36Å; F218-C220 PolarHBondContact O-N 3.27Å; C220-D222 VanDerWaalsContact C-N 3.3Å; C220-D222 PolarHBondContact O-N 3.03Å; C220-R226 HydrophobicContact CB-CB 4.41Å; C220-R226 PolarHBondContact O-NH2 2.87Å
221	A	48.9	Very low	50	Low	82 Å²	82	56.4 Å²	56.4	68%	0.678	30%	0.304	S	S	*	.	S	Bend	trans	-71.6	-18.3	-172.5	0	0	0	0	0	114.8	S219	S219-A221 PolarHBondContact O-N 2.55Å
222	D	49.1	Very low	50.6	Low	50 Å²	50	53 Å²	53	27%	0.267	28%	0.28	S	S	.	.			trans	-110.5	127	-177.9	-171.1	-45	0	0	0	110.6	K189 C220 V224 L225 R226	K189-D222 HydrophobicContact CD-CB 4.36Å; C220-D222 VanDerWaalsContact C-N 3.3Å; C220-D222 PolarHBondContact O-N 3.03Å; D222-V224 WeakPolarHBondContact OD1-CA 2.79Å; D222-V224 WeakPolarHBondContact OD1-CB 3.19Å; D222-V224 PolarHBondContact OD1-N 3.39Å; D222-L225 HydrophobicContact CB-CB 3.94Å; D222-L225 HydrophobicContact CB-CD1 3.62Å; D222-L225 HydrophobicContact CB-CG 3.8Å; D222-L225 PolarHBondContact O-N 2.93Å; D222-L225 PolarHBondContact OD1-N 3.28Å; D222-R226 WeakPolarHBondContact O-CB 3.31Å; D222-R226 PolarHBondContact O-N 3.17Å
223	D	47.5	Very low	51	Low	98 Å²	98	46.1 Å²	46.1	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-32.4	-178.8	-73.3	-30.2	0	0	0	113.3	R226 N227	D223-R226 IonicContact OD1-CZ 3.84Å; D223-R226 VanDerWaalsContact OD1-CZ 3.28Å; D223-R226 IonicContact OD1-NH1 3.34Å; D223-R226 PolarHBondContact OD1-NH1 2.93Å; D223-R226 IonicContact OD1-NH2 2.89Å; D223-N227 PolarHBondContact O-N 2.77Å; D223-N227 PolarHBondContact O-ND2 2.99Å
224	V	44.9	Very low	51.4	Low	62 Å²	62	48.6 Å²	48.6	38%	0.376	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-48.6	176.4	175.1	0	0	0	0	109	D222 R226 N227 Q228	D222-V224 WeakPolarHBondContact OD1-CA 2.79Å; D222-V224 WeakPolarHBondContact OD1-CB 3.19Å; D222-V224 PolarHBondContact OD1-N 3.39Å; V224-R226 PolarHBondContact O-N 3.47Å; V224-N227 PolarHBondContact O-N 3.08Å; V224-Q228 VanDerWaalsContact CG1-NE2 3.33Å; V224-Q228 VanDerWaalsContact O-CG 3.27Å; V224-Q228 WeakPolarHBondContact O-CG 3.49Å; V224-Q228 PolarHBondContact O-N 3.24Å; V224-Q228 VanDerWaalsContact O-N 3.14Å
225	L	44.9	Very low	51.8	Low	9 Å²	9	46.9 Å²	46.9	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-39.7	177.9	-61.1	176.2	0	0	0	112.2	K189 Q194 D222 N227 Q228 V229	K189-L225 HydrophobicContact CB-CD1 3.67Å; K189-L225 WeakPolarHBondContact O-CD1 3.4Å; Q194-L225 VanDerWaalsContact NE2-CB 3.31Å; Q194-L225 VanDerWaalsContact NE2-CD1 3.31Å; D222-L225 HydrophobicContact CB-CB 3.94Å; D222-L225 HydrophobicContact CB-CD1 3.62Å; D222-L225 HydrophobicContact CB-CG 3.8Å; D222-L225 PolarHBondContact O-N 2.93Å; D222-L225 PolarHBondContact OD1-N 3.28Å; L225-N227 PolarHBondContact O-N 3.2Å; L225-Q228 WeakPolarHBondContact O-CB 2.98Å; L225-Q228 PolarHBondContact O-N 2.72Å; L225-Q228 VanDerWaalsContact O-N 3.15Å; L225-V229 WeakPolarHBondContact O-CG2 3.18Å; L225-V229 PolarHBondContact O-N 2.9Å
226	R	52.3	Low	52.2	Low	52 Å²	52	42.4 Å²	42.4	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-55.5	-48.7	174.4	173.1	-174.2	-59.2	156	9.1	112.2	A217 F218 C220 D222 D223 V224 Q228 V229 L230	A217-R226 WeakPolarHBondContact O-CG 3.37Å; F218-R226 VanDerWaalsContact CD1-CD 3.48Å; F218-R226 HydrophobicContact CD1-CG 4.47Å; F218-R226 PolarHBondContact O-NH2 3.45Å; C220-R226 HydrophobicContact CB-CB 4.41Å; C220-R226 PolarHBondContact O-NH2 2.87Å; D222-R226 WeakPolarHBondContact O-CB 3.31Å; D222-R226 PolarHBondContact O-N 3.17Å; D223-R226 IonicContact OD1-CZ 3.84Å; D223-R226 VanDerWaalsContact OD1-CZ 3.28Å; D223-R226 IonicContact OD1-NH1 3.34Å; D223-R226 PolarHBondContact OD1-NH1 2.93Å; D223-R226 IonicContact OD1-NH2 2.89Å; V224-R226 PolarHBondContact O-N 3.47Å; R226-Q228 VanDerWaalsContact C-N 3.29Å; R226-Q228 PolarHBondContact O-N 2.72Å; R226-V229 PolarHBondContact O-N 3.21Å; R226-L230 HydrophobicContact CG-CD1 4.38Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 2.9Å
227	N	51	Low	52.7	Low	92 Å²	92	42.2 Å²	42.2	49%	0.492	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-38.9	178.6	-72.5	-52.7	0	0	0	111	D223 V224 L225 L230 D231	D223-N227 PolarHBondContact O-N 2.77Å; D223-N227 PolarHBondContact O-ND2 2.99Å; V224-N227 PolarHBondContact O-N 3.08Å; L225-N227 PolarHBondContact O-N 3.2Å; N227-L230 PolarHBondContact O-N 3.47Å; N227-D231 WeakPolarHBondContact O-CB 3.4Å; N227-D231 VanDerWaalsContact O-CG 3.28Å; N227-D231 PolarHBondContact O-N 3.47Å
228	Q	51	Low	53.1	Low	18 Å²	18	43.6 Å²	43.6	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-40.7	177.2	-68.4	167.4	2.6	0	0	112.5	V224 L225 R226 D231 F232 T299	V224-Q228 VanDerWaalsContact CG1-NE2 3.33Å; V224-Q228 VanDerWaalsContact O-CG 3.27Å; V224-Q228 WeakPolarHBondContact O-CG 3.49Å; V224-Q228 PolarHBondContact O-N 3.24Å; V224-Q228 VanDerWaalsContact O-N 3.14Å; L225-Q228 WeakPolarHBondContact O-CB 2.98Å; L225-Q228 PolarHBondContact O-N 2.72Å; L225-Q228 VanDerWaalsContact O-N 3.15Å; R226-Q228 VanDerWaalsContact C-N 3.29Å; R226-Q228 PolarHBondContact O-N 2.72Å; Q228-D231 PolarHBondContact O-N 3.46Å; Q228-F232 WeakPolarHBondContact O-CB 3.09Å; Q228-F232 PolarHBondContact O-N 3.35Å; Q228-T299 VanDerWaalsContact CD-CG2 3.47Å; Q228-T299 HydrophobicContact CG-CG2 4.05Å; Q228-T299 VanDerWaalsContact NE2-CG2 3.32Å
229	V	52.1	Low	53.8	Low	11 Å²	11	38.8 Å²	38.8	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.9	173.9	170.5	0	0	0	0	110.4	Q194 W216 A217 L225 R226 D231 F232 L233	Q194-V229 HydrophobicContact CB-CG2 3.89Å; Q194-V229 HydrophobicContact CG-CG2 3.99Å; W216-V229 HydrophobicContact CE3-CG1 4.19Å; W216-V229 HydrophobicContact CH2-CG1 4.21Å; W216-V229 HydrophobicContact CZ3-CG1 3.45Å; W216-V229 VanDerWaalsContact CZ3-CG1 3.45Å; A217-V229 HydrophobicContact CB-CG1 3.97Å; L225-V229 WeakPolarHBondContact O-CG2 3.18Å; L225-V229 PolarHBondContact O-N 2.9Å; R226-V229 PolarHBondContact O-N 3.21Å; V229-D231 PolarHBondContact O-N 3.28Å; V229-F232 PolarHBondContact O-N 2.79Å; V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.23Å; V229-L233 VanDerWaalsContact O-CB 3.23Å; V229-L233 WeakPolarHBondContact O-CB 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.06Å; V229-L233 PolarHBondContact O-N 3.43Å
230	L	55.7	Low	54.5	Low	23 Å²	23	35.2 Å²	35.2	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-46.2	176.6	-73.1	175	0	0	0	111.8	R213 N214 A217 R226 N227 L233 D234	R213-L230 PolarHBondContact NH2-O 2.95Å; N214-L230 HydrophobicContact CB-CD2 4.1Å; N214-L230 WeakPolarHBondContact OD1-CD2 3.29Å; A217-L230 HydrophobicContact CB-CD2 3.49Å; A217-L230 VanDerWaalsContact CB-CD2 3.49Å; A217-L230 HydrophobicContact CB-CG 3.75Å; R226-L230 HydrophobicContact CG-CD1 4.38Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 2.9Å; N227-L230 PolarHBondContact O-N 3.47Å; L230-L233 WeakPolarHBondContact O-CB 3.38Å; L230-L233 PolarHBondContact O-N 3.49Å; L230-D234 PolarHBondContact O-N 3.16Å
231	D	53.9	Low	55.2	Low	42 Å²	42	42 Å²	42	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-52.2	176.8	-72.4	-18.1	0	0	0	110	N227 Q228 V229 L233 D234 F235 Y293 L295 P296	N227-D231 WeakPolarHBondContact O-CB 3.4Å; N227-D231 VanDerWaalsContact O-CG 3.28Å; N227-D231 PolarHBondContact O-N 3.47Å; Q228-D231 PolarHBondContact O-N 3.46Å; V229-D231 PolarHBondContact O-N 3.28Å; D231-L233 PolarHBondContact O-N 2.74Å; D231-D234 WeakPolarHBondContact O-CA 3.23Å; D231-D234 WeakPolarHBondContact O-CB 3.47Å; D231-D234 PolarHBondContact O-N 2.93Å; D231-F235 PolarHBondContact O-N 2.83Å; D231-Y293 PolarHBondContact O-OH 3.13Å; D231-L295 HydrophobicContact CB-CD2 3.84Å; D231-P296 WeakPolarHBondContact OD2-CG 3.44Å
232	F	55.1	Low	55.7	Low	14 Å²	14	40.2 Å²	40.2	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-33.8	179.2	-168.9	-79.1	0	0	0	112.4	I76 L195 L198 Q228 V229 D234 F235 A236 L321	I76-F232 HydrophobicContact CD1-CE1 4.02Å; I76-F232 HydrophobicContact CD1-CZ 4.35Å; I76-F232 HydrophobicContact CG1-CE1 4.49Å; I76-F232 HydrophobicContact CG1-CZ 4.34Å; L195-F232 HydrophobicContact CD2-CE2 4.29Å; L195-F232 HydrophobicContact CD2-CZ 4.17Å; L198-F232 HydrophobicContact CD2-CD1 2.99Å; L198-F232 HydrophobicContact CD2-CE1 3.03Å; L198-F232 HydrophobicContact CD2-CG 4.19Å; L198-F232 HydrophobicContact CD2-CZ 4.23Å; L198-F232 HydrophobicContact CG-CD1 4.47Å; L198-F232 HydrophobicContact CG-CE1 4.38Å; Q228-F232 WeakPolarHBondContact O-CB 3.09Å; Q228-F232 PolarHBondContact O-N 3.35Å; V229-F232 PolarHBondContact O-N 2.79Å; F232-D234 VanDerWaalsContact C-N 3.34Å; F232-F235 HydrophobicContact CD2-CD1 4.41Å; F232-F235 HydrophobicContact CE2-CD1 4.25Å; F232-F235 HydrophobicContact CZ-CD1 4.37Å; F232-F235 VanDerWaalsContact O-CB 3.3Å; F232-F235 WeakPolarHBondContact O-CB 3.49Å; F232-F235 PolarHBondContact O-N 3.4Å; F232-A236 HydrophobicContact CE1-CB 4.43Å; F232-A236 WeakPolarHBondContact O-CB 3.4Å; F232-A236 PolarHBondContact O-N 3.05Å; F232-L321 HydrophobicContact CD2-CD1 4.03Å; F232-L321 HydrophobicContact CD2-CD2 4.44Å; F232-L321 HydrophobicContact CE2-CD1 3.53Å; F232-L321 HydrophobicContact CE2-CD2 3.66Å; F232-L321 HydrophobicContact CE2-CG 4.24Å; F232-L321 HydrophobicContact CZ-CD2 4.48Å
233	L	57.7	Low	56.3	Low	7 Å²	7	41.4 Å²	41.4	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-35.1	173.7	-77.3	175.5	0	0	0	112.4	L198 I205 R213 W216 V229 L230 D231 F235 S237	L198-L233 HydrophobicContact CD1-CD2 3.25Å; L198-L233 HydrophobicContact CD1-CG 4.35Å; I205-L233 HydrophobicContact CB-CD2 4.28Å; I205-L233 HydrophobicContact CD1-CD1 4.48Å; I205-L233 HydrophobicContact CD1-CD2 3.74Å; I205-L233 HydrophobicContact CG2-CD1 4.15Å; I205-L233 HydrophobicContact CG2-CD2 3.56Å; I205-L233 HydrophobicContact CG2-CG 4.43Å; R213-L233 HydrophobicContact CG-CD1 4.04Å; R213-L233 VanDerWaalsContact NE-CB 3.26Å; W216-L233 HydrophobicContact CE3-CD1 4.11Å; W216-L233 HydrophobicContact CZ3-CD1 3.99Å; V229-L233 HydrophobicContact CG1-CD1 3.9Å; V229-L233 HydrophobicContact CG1-CG 4.23Å; V229-L233 VanDerWaalsContact O-CB 3.23Å; V229-L233 WeakPolarHBondContact O-CB 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.06Å; V229-L233 PolarHBondContact O-N 3.43Å; L230-L233 WeakPolarHBondContact O-CB 3.38Å; L230-L233 PolarHBondContact O-N 3.49Å; D231-L233 PolarHBondContact O-N 2.74Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-S237 VanDerWaalsContact O-CB 3.24Å; L233-S237 WeakPolarHBondContact O-CB 3.34Å; L233-S237 PolarHBondContact O-N 3.49Å
234	D	59.8	Low	56.8	Low	68 Å²	68	39.2 Å²	39.2	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-70.7	-37.7	175.3	-84	-20.5	0	0	0	110.2	R213 L230 D231 F232 S237 S238 Y293	R213-D234 IonicContact CZ-OD1 3.24Å; R213-D234 IonicContact NH1-OD1 3.28Å; R213-D234 PolarHBondContact NH1-OD1 3.02Å; R213-D234 IonicContact NH2-OD1 3.61Å; R213-D234 PolarHBondContact NH2-OD1 3.49Å; R213-D234 IonicContact NH2-OD2 2.65Å; L230-D234 PolarHBondContact O-N 3.16Å; D231-D234 WeakPolarHBondContact O-CA 3.23Å; D231-D234 WeakPolarHBondContact O-CB 3.47Å; D231-D234 PolarHBondContact O-N 2.93Å; F232-D234 VanDerWaalsContact C-N 3.34Å; D234-S237 PolarHBondContact O-N 3.05Å; D234-S238 VanDerWaalsContact O-CB 3.31Å; D234-S238 WeakPolarHBondContact O-CB 3.48Å; D234-S238 PolarHBondContact O-N 3.31Å; D234-S238 PolarHBondContact O-OG 3.24Å; D234-Y293 HydrophobicContact CB-CD2 4.3Å; D234-Y293 HydrophobicContact CB-CE2 3.66Å
235	F	59.1	Low	57.4	Low	4 Å²	4	40.1 Å²	40.1	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-55.6	170.5	172.3	-99.4	0	0	0	111.2	D231 F232 L233 S237 S238 L239 F250 I290 Y293 L321	D231-F235 PolarHBondContact O-N 2.83Å; F232-F235 HydrophobicContact CD2-CD1 4.41Å; F232-F235 HydrophobicContact CE2-CD1 4.25Å; F232-F235 HydrophobicContact CZ-CD1 4.37Å; F232-F235 VanDerWaalsContact O-CB 3.3Å; F232-F235 WeakPolarHBondContact O-CB 3.49Å; F232-F235 PolarHBondContact O-N 3.4Å; L233-F235 VanDerWaalsContact C-N 3.34Å; F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 2.87Å; F235-S238 WeakPolarHBondContact O-CB 3.24Å; F235-S238 PolarHBondContact O-N 3.33Å; F235-L239 HydrophobicContact CE1-CD2 3.97Å; F235-L239 HydrophobicContact CZ-CD2 3.9Å; F235-L239 WeakPolarHBondContact O-CB 3.49Å; F235-L239 PolarHBondContact O-N 3.22Å; F235-F250 HydrophobicContact CE1-CE1 4.24Å; F235-F250 HydrophobicContact CE1-CZ 4.39Å; F235-F250 HydrophobicContact CE2-CE1 4.18Å; F235-F250 AromaticContact CE2-CE2 3.98Å; F235-F250 HydrophobicContact CE2-CE2 3.98Å; F235-F250 AromaticContact CE2-CZ 3.59Å; F235-F250 HydrophobicContact CE2-CZ 3.59Å; F235-F250 HydrophobicContact CZ-CD1 4.22Å; F235-F250 AromaticContact CZ-CE1 3.36Å; F235-F250 HydrophobicContact CZ-CE1 3.36Å; F235-F250 AromaticContact CZ-CE2 4Å; F235-F250 HydrophobicContact CZ-CE2 4Å; F235-F250 AromaticContact CZ-CZ 3.22Å; F235-F250 HydrophobicContact CZ-CZ 3.22Å; F235-I290 HydrophobicContact CD2-CD1 3.8Å; F235-I290 HydrophobicContact CE2-CD1 3.14Å; F235-I290 HydrophobicContact CE2-CG1 4.32Å; F235-I290 HydrophobicContact CZ-CD1 3.59Å; F235-Y293 HydrophobicContact CB-CD1 3.98Å; F235-Y293 HydrophobicContact CB-CE1 3.35Å; F235-Y293 HydrophobicContact CB-CE2 4.15Å; F235-Y293 VanDerWaalsContact CB-CZ 3.47Å; F235-Y293 AromaticContact CD2-CD1 3.55Å; F235-Y293 HydrophobicContact CD2-CD1 3.55Å; F235-Y293 AromaticContact CD2-CE1 3.5Å; F235-Y293 HydrophobicContact CD2-CE1 3.5Å; F235-Y293 VanDerWaalsContact CD2-CE1 3.5Å; F235-Y293 HydrophobicContact CG-CD1 4.25Å; F235-Y293 AromaticContact CG-CE1 3.86Å; F235-Y293 HydrophobicContact CG-CE1 3.86Å; F235-L321 HydrophobicContact CE1-CD2 4.07Å; F235-L321 HydrophobicContact CZ-CD2 4.33Å
236	A	61.1	Low	58	Low	5 Å²	5	42.7 Å²	42.7	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-41	-180	0	0	0	0	0	111.3	F232 S238 L239 C240	F232-A236 HydrophobicContact CE1-CB 4.43Å; F232-A236 WeakPolarHBondContact O-CB 3.4Å; F232-A236 PolarHBondContact O-N 3.05Å; A236-S238 VanDerWaalsContact C-N 3.35Å; A236-S238 PolarHBondContact O-N 3.1Å; A236-L239 PolarHBondContact O-N 2.96Å; A236-C240 WeakPolarHBondContact O-CB 3.47Å; A236-C240 PolarHBondContact O-N 2.86Å; A236-C240 PolarHBondContact O-SG 2.99Å
237	S	63.2	Low	58.4	Low	36 Å²	36	40.2 Å²	40.2	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-41.6	174.3	-174.8	0	0	0	0	112.2	L233 D234 F235 K241	L233-S237 VanDerWaalsContact O-CB 3.24Å; L233-S237 WeakPolarHBondContact O-CB 3.34Å; L233-S237 PolarHBondContact O-N 3.49Å; D234-S237 PolarHBondContact O-N 3.05Å; F235-S237 VanDerWaalsContact C-N 3.3Å; F235-S237 PolarHBondContact O-N 2.87Å; S237-K241 WeakPolarHBondContact O-CG 3.28Å; S237-K241 PolarHBondContact O-N 3.47Å
238	S	61.5	Low	58.6	Low	29 Å²	29	36.2 Å²	36.2	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-70	-38.3	178.2	-58.4	0	0	0	0	112.2	D234 F235 A236 K241 Q242	D234-S238 VanDerWaalsContact O-CB 3.31Å; D234-S238 WeakPolarHBondContact O-CB 3.48Å; D234-S238 PolarHBondContact O-N 3.31Å; D234-S238 PolarHBondContact O-OG 3.24Å; F235-S238 WeakPolarHBondContact O-CB 3.24Å; F235-S238 PolarHBondContact O-N 3.33Å; A236-S238 VanDerWaalsContact C-N 3.35Å; A236-S238 PolarHBondContact O-N 3.1Å; S238-K241 PolarHBondContact O-N 3.17Å; S238-Q242 PolarHBondContact O-NE2 3.01Å
239	L	61.4	Low	58.9	Low	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-41.7	175.2	-172.2	49.9	0	0	0	111.5	V72 F235 A236 K241 Q242 A247 F250 I290	V72-L239 HydrophobicContact CG2-CB 4.26Å; V72-L239 HydrophobicContact CG2-CD2 3.36Å; V72-L239 HydrophobicContact CG2-CG 3.57Å; F235-L239 HydrophobicContact CE1-CD2 3.97Å; F235-L239 HydrophobicContact CZ-CD2 3.9Å; F235-L239 WeakPolarHBondContact O-CB 3.49Å; F235-L239 PolarHBondContact O-N 3.22Å; A236-L239 PolarHBondContact O-N 2.96Å; L239-K241 PolarHBondContact O-N 2.96Å; L239-Q242 HydrophobicContact CD1-CG 4.43Å; L239-Q242 VanDerWaalsContact O-CB 3.31Å; L239-Q242 WeakPolarHBondContact O-CB 3.21Å; L239-Q242 WeakPolarHBondContact O-CG 3.26Å; L239-Q242 PolarHBondContact O-N 3.25Å; L239-A247 HydrophobicContact CD1-CB 3.89Å; L239-A247 HydrophobicContact CG-CB 4.37Å; L239-F250 HydrophobicContact CD1-CB 3.84Å; L239-F250 HydrophobicContact CD1-CD1 3.95Å; L239-F250 HydrophobicContact CD1-CG 3.84Å; L239-F250 HydrophobicContact CD2-CD1 3.58Å; L239-F250 HydrophobicContact CD2-CE1 4.01Å; L239-F250 HydrophobicContact CD2-CG 4.32Å; L239-F250 HydrophobicContact CG-CD1 4.47Å; L239-I290 HydrophobicContact CB-CD1 3.72Å; L239-I290 HydrophobicContact CD1-CD1 3.65Å; L239-I290 HydrophobicContact CD1-CG1 4.06Å; L239-I290 HydrophobicContact CD2-CD1 4.28Å; L239-I290 HydrophobicContact CG-CD1 4.07Å
240	C	64.1	Low	59.2	Low	16 Å²	16	36.7 Å²	36.7	11%	0.108	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.3	177.4	-67.4	0	0	0	0	114.1	S69 A236	S69-C240 WeakPolarHBondContact OG-CB 3.32Å; S69-C240 PolarHBondContact OG-SG 2.91Å; A236-C240 WeakPolarHBondContact O-CB 3.47Å; A236-C240 PolarHBondContact O-N 2.86Å; A236-C240 PolarHBondContact O-SG 2.99Å
241	K	64.9	Low	59.5	Low	160 Å²	160	36 Å²	36	70%	0.696	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.7	173.4	-70	171.6	-173.6	174.7	0	112.8	S237 S238 L239	S237-K241 WeakPolarHBondContact O-CG 3.28Å; S237-K241 PolarHBondContact O-N 3.47Å; S238-K241 PolarHBondContact O-N 3.17Å; L239-K241 PolarHBondContact O-N 2.96Å
242	Q	59.2	Low	59.6	Low	45 Å²	45	34.2 Å²	34.2	21%	0.21	19%	0.185	C	C	.	.	S	Bend	trans	-72.4	154.1	176.2	-57.7	-54.8	-47.3	0	0	110.4	S238 L239 E246 A247 I290	S238-Q242 PolarHBondContact O-NE2 3.01Å; L239-Q242 HydrophobicContact CD1-CG 4.43Å; L239-Q242 VanDerWaalsContact O-CB 3.31Å; L239-Q242 WeakPolarHBondContact O-CB 3.21Å; L239-Q242 WeakPolarHBondContact O-CG 3.26Å; L239-Q242 PolarHBondContact O-N 3.25Å; Q242-E246 HydrophobicContact CB-CB 4.14Å; Q242-A247 HydrophobicContact CB-CB 4.43Å; Q242-I290 HydrophobicContact CG-CG2 4.43Å
243	P	61.4	Low	59.6	Low	75 Å²	75	33.6 Å²	33.6	49%	0.487	18%	0.182	S	C	.	.			trans	-50.9	142.8	166	-24.7	33.8	0	0	0	110.5	N245 E246 A247	P243-N245 PolarHBondContact O-N 3.33Å; P243-N245 VanDerWaalsContact O-N 3.1Å; P243-E246 HydrophobicContact CB-CB 4.46Å; P243-E246 HydrophobicContact CB-CG 4.23Å; P243-E246 HydrophobicContact CG-CG 4.19Å; P243-E246 PolarHBondContact O-N 2.83Å; P243-A247 PolarHBondContact O-N 2.7Å
244	P	59.6	Low	59.7	Low	52 Å²	52	33.3 Å²	33.3	34%	0.338	18%	0.181	S	C	.	.	H	α-helix	trans	-50.7	-40.5	-178	-30.4	35.8	0	0	0	113.9	S66 A247 A248	S66-P244 WeakPolarHBondContact O-CB 3.25Å; S66-P244 WeakPolarHBondContact O-CG 3.12Å; P244-A247 PolarHBondContact O-N 3.26Å; P244-A248 WeakPolarHBondContact O-CB 3.41Å; P244-A248 PolarHBondContact O-N 2.91Å
245	N	56.4	Low	59.7	Low	82 Å²	82	30.1 Å²	30.1	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-53.4	174.1	-69	-7.8	0	0	0	110.9	F64 P243 A247 A248 K249	F64-N245 WeakPolarHBondContact CE2-OD1 3.28Å; F64-N245 WeakPolarHBondContact CZ-OD1 3.21Å; P243-N245 PolarHBondContact O-N 3.33Å; P243-N245 VanDerWaalsContact O-N 3.1Å; N245-A247 VanDerWaalsContact C-N 3.28Å; N245-A247 PolarHBondContact O-N 2.72Å; N245-A248 PolarHBondContact O-N 2.96Å; N245-K249 VanDerWaalsContact O-CB 3.26Å; N245-K249 WeakPolarHBondContact O-CB 3.1Å; N245-K249 WeakPolarHBondContact O-CG 3.17Å; N245-K249 PolarHBondContact O-N 3.4Å
246	E	58.4	Low	59.5	Low	62 Å²	62	30.2 Å²	30.2	29%	0.29	17%	0.165	S	C	.	.	H	α-helix	trans	-62.6	-33.7	-178.7	-63.4	-57.5	129.3	0	0	113	Q242 P243 K249 F250 C288	Q242-E246 HydrophobicContact CB-CB 4.14Å; P243-E246 HydrophobicContact CB-CB 4.46Å; P243-E246 HydrophobicContact CB-CG 4.23Å; P243-E246 HydrophobicContact CG-CG 4.19Å; P243-E246 PolarHBondContact O-N 2.83Å; E246-K249 IonicContact OE1-NZ 2.87Å; E246-K249 PolarHBondContact OE1-NZ 2.93Å; E246-F250 WeakPolarHBondContact O-CB 3.23Å; E246-F250 PolarHBondContact O-N 2.62Å; E246-C288 WeakPolarHBondContact OE2-CB 3.5Å; E246-C288 PolarHBondContact OE2-SG 2.92Å
247	A	59	Low	59.2	Low	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-45.6	173.6	0	0	0	0	0	112.7	A68 L239 Q242 P243 P244 N245 K249 F250 V251	A68-A247 HydrophobicContact CB-CB 3.47Å; A68-A247 VanDerWaalsContact CB-CB 3.47Å; L239-A247 HydrophobicContact CD1-CB 3.89Å; L239-A247 HydrophobicContact CG-CB 4.37Å; Q242-A247 HydrophobicContact CB-CB 4.43Å; P243-A247 PolarHBondContact O-N 2.7Å; P244-A247 PolarHBondContact O-N 3.26Å; N245-A247 VanDerWaalsContact C-N 3.28Å; N245-A247 PolarHBondContact O-N 2.72Å; A247-K249 VanDerWaalsContact C-N 3.31Å; A247-K249 PolarHBondContact O-N 2.95Å; A247-F250 WeakPolarHBondContact O-CB 3.18Å; A247-F250 PolarHBondContact O-N 2.98Å; A247-V251 WeakPolarHBondContact O-CG2 3.49Å; A247-V251 PolarHBondContact O-N 3.19Å
248	A	56.7	Low	59	Low	9 Å²	9	28.4 Å²	28.4	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-41.2	176.5	0	0	0	0	0	111.4	F120 P244 N245 V251 C252	F120-A248 HydrophobicContact CD1-CB 4.35Å; F120-A248 HydrophobicContact CE1-CB 3.66Å; F120-A248 HydrophobicContact CZ-CB 3.93Å; P244-A248 WeakPolarHBondContact O-CB 3.41Å; P244-A248 PolarHBondContact O-N 2.91Å; N245-A248 PolarHBondContact O-N 2.96Å; A248-V251 WeakPolarHBondContact O-CB 3.49Å; A248-V251 PolarHBondContact O-N 3.09Å; A248-C252 PolarHBondContact O-N 3.46Å; A248-C252 PolarHBondContact O-SG 3.25Å
249	K	56	Low	58.8	Low	36 Å²	36	27.3 Å²	27.3	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-54.7	172.1	-73.7	-176.6	175.4	175.6	0	110.6	F116 F120 N245 E246 A247 V251 C252 M253 C288	F116-K249 HydrophobicContact CD1-CD 4.15Å; F116-K249 HydrophobicContact CD1-CG 3.95Å; F116-K249 HydrophobicContact CE1-CB 3.59Å; F116-K249 HydrophobicContact CE1-CD 3.35Å; F116-K249 HydrophobicContact CE1-CG 3.11Å; F116-K249 HydrophobicContact CE2-CB 4.15Å; F116-K249 HydrophobicContact CE2-CG 4.12Å; F116-K249 HydrophobicContact CZ-CB 3.21Å; F116-K249 HydrophobicContact CZ-CD 3.94Å; F116-K249 HydrophobicContact CZ-CG 3.23Å; F120-K249 HydrophobicContact CE2-CG 4.02Å; N245-K249 VanDerWaalsContact O-CB 3.26Å; N245-K249 WeakPolarHBondContact O-CB 3.1Å; N245-K249 WeakPolarHBondContact O-CG 3.17Å; N245-K249 PolarHBondContact O-N 3.4Å; E246-K249 IonicContact OE1-NZ 2.87Å; E246-K249 PolarHBondContact OE1-NZ 2.93Å; A247-K249 VanDerWaalsContact C-N 3.31Å; A247-K249 PolarHBondContact O-N 2.95Å; K249-V251 VanDerWaalsContact C-N 3.34Å; K249-V251 PolarHBondContact O-N 3.48Å; K249-C252 WeakPolarHBondContact O-CB 3.43Å; K249-C252 PolarHBondContact O-N 3.43Å; K249-C252 VanDerWaalsContact O-N 3.16Å; K249-M253 WeakPolarHBondContact O-CG 3.01Å; K249-M253 PolarHBondContact O-N 3.09Å; K249-M253 VanDerWaalsContact O-N 3.12Å; K249-C288 HydrophobicContact CB-CB 4.34Å; K249-C288 VanDerWaalsContact CD-SG 3.52Å
250	F	60.2	Low	58.5	Low	2 Å²	2	28.9 Å²	28.9	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-53.1	-48.4	176.3	177.8	-79.7	0	0	0	112.6	F235 L239 E246 A247 C252 M253 L254 I290 L324	F235-F250 HydrophobicContact CE1-CE1 4.24Å; F235-F250 HydrophobicContact CE1-CZ 4.39Å; F235-F250 HydrophobicContact CE2-CE1 4.18Å; F235-F250 AromaticContact CE2-CE2 3.98Å; F235-F250 HydrophobicContact CE2-CE2 3.98Å; F235-F250 AromaticContact CE2-CZ 3.59Å; F235-F250 HydrophobicContact CE2-CZ 3.59Å; F235-F250 HydrophobicContact CZ-CD1 4.22Å; F235-F250 AromaticContact CZ-CE1 3.36Å; F235-F250 HydrophobicContact CZ-CE1 3.36Å; F235-F250 AromaticContact CZ-CE2 4Å; F235-F250 HydrophobicContact CZ-CE2 4Å; F235-F250 AromaticContact CZ-CZ 3.22Å; F235-F250 HydrophobicContact CZ-CZ 3.22Å; L239-F250 HydrophobicContact CD1-CB 3.84Å; L239-F250 HydrophobicContact CD1-CD1 3.95Å; L239-F250 HydrophobicContact CD1-CG 3.84Å; L239-F250 HydrophobicContact CD2-CD1 3.58Å; L239-F250 HydrophobicContact CD2-CE1 4.01Å; L239-F250 HydrophobicContact CD2-CG 4.32Å; L239-F250 HydrophobicContact CG-CD1 4.47Å; E246-F250 WeakPolarHBondContact O-CB 3.23Å; E246-F250 PolarHBondContact O-N 2.62Å; A247-F250 WeakPolarHBondContact O-CB 3.18Å; A247-F250 PolarHBondContact O-N 2.98Å; F250-C252 VanDerWaalsContact C-N 3.31Å; F250-C252 PolarHBondContact O-N 3.41Å; F250-M253 HydrophobicContact CD2-CE 4.34Å; F250-M253 PolarHBondContact O-N 3.28Å; F250-M253 VanDerWaalsContact O-N 3.11Å; F250-L254 HydrophobicContact CE1-CB 3.99Å; F250-L254 HydrophobicContact CE1-CD2 3.75Å; F250-L254 HydrophobicContact CE1-CG 4.48Å; F250-L254 HydrophobicContact CZ-CB 4.47Å; F250-L254 HydrophobicContact CZ-CD2 4.29Å; F250-L254 PolarHBondContact O-N 3.39Å; F250-I290 HydrophobicContact CD2-CD1 3.95Å; F250-I290 HydrophobicContact CD2-CG1 3.6Å; F250-I290 HydrophobicContact CE2-CD1 3.9Å; F250-I290 HydrophobicContact CE2-CG1 3.85Å; F250-I290 HydrophobicContact CG-CD1 4.35Å; F250-I290 HydrophobicContact CG-CG1 4.25Å; F250-I290 HydrophobicContact CZ-CD1 4.36Å; F250-L324 HydrophobicContact CE2-CB 3.57Å; F250-L324 HydrophobicContact CE2-CD1 4.28Å; F250-L324 HydrophobicContact CZ-CB 3.8Å; F250-L324 HydrophobicContact CZ-CD1 4.12Å
251	V	60.3	Low	58.1	Low	10 Å²	10	28.1 Å²	28.1	6%	0.061	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-43	179	159.9	0	0	0	0	111.7	F75 A247 A248 K249 M253 L254 S255	F75-V251 HydrophobicContact CB-CB 4.39Å; F75-V251 HydrophobicContact CB-CG1 3.68Å; F75-V251 HydrophobicContact CB-CG2 3.86Å; F75-V251 HydrophobicContact CD2-CB 4.5Å; F75-V251 HydrophobicContact CD2-CG1 3.7Å; F75-V251 HydrophobicContact CG-CB 4.48Å; F75-V251 HydrophobicContact CG-CG1 3.9Å; F75-V251 HydrophobicContact CG-CG2 4.14Å; A247-V251 WeakPolarHBondContact O-CG2 3.49Å; A247-V251 PolarHBondContact O-N 3.19Å; A248-V251 WeakPolarHBondContact O-CB 3.49Å; A248-V251 PolarHBondContact O-N 3.09Å; K249-V251 VanDerWaalsContact C-N 3.34Å; K249-V251 PolarHBondContact O-N 3.48Å; V251-M253 VanDerWaalsContact C-N 3.34Å; V251-M253 PolarHBondContact O-N 3.19Å; V251-L254 PolarHBondContact O-N 3.02Å; V251-S255 WeakPolarHBondContact O-CB 3.21Å; V251-S255 PolarHBondContact O-N 2.96Å; V251-S255 PolarHBondContact O-OG 2.99Å
252	C	56.7	Low	57.8	Low	4 Å²	4	20.8 Å²	20.8	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-37.3	177.4	-66.5	0	0	0	0	112.2	F116 A248 K249 F250 S255 A256	F116-C252 HydrophobicContact CE2-CB 3.91Å; A248-C252 PolarHBondContact O-N 3.46Å; A248-C252 PolarHBondContact O-SG 3.25Å; K249-C252 WeakPolarHBondContact O-CB 3.43Å; K249-C252 PolarHBondContact O-N 3.43Å; K249-C252 VanDerWaalsContact O-N 3.16Å; F250-C252 VanDerWaalsContact C-N 3.31Å; F250-C252 PolarHBondContact O-N 3.41Å; C252-S255 WeakPolarHBondContact O-CB 3.42Å; C252-A256 PolarHBondContact O-N 3.35Å
253	M	55.5	Low	57.6	Low	1 Å²	1	19 Å²	19	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-69	-42.4	176.6	-40.6	-161.9	-76.4	0	0	112.5	F104 K249 F250 V251 S255 A256 L257 A287 C288 L324	F104-M253 VanDerWaalsContact CE2-CA 3.49Å; F104-M253 HydrophobicContact CE2-CB 3.99Å; F104-M253 HydrophobicContact CE2-CG 4.08Å; F104-M253 HydrophobicContact CZ-CB 3.59Å; F104-M253 HydrophobicContact CZ-CG 3.54Å; F104-M253 HydrophobicContact CZ-SD 4.07Å; K249-M253 WeakPolarHBondContact O-CG 3.01Å; K249-M253 PolarHBondContact O-N 3.09Å; K249-M253 VanDerWaalsContact O-N 3.12Å; F250-M253 HydrophobicContact CD2-CE 4.34Å; F250-M253 PolarHBondContact O-N 3.28Å; F250-M253 VanDerWaalsContact O-N 3.11Å; V251-M253 VanDerWaalsContact C-N 3.34Å; V251-M253 PolarHBondContact O-N 3.19Å; M253-S255 VanDerWaalsContact C-N 3.27Å; M253-S255 PolarHBondContact O-N 2.88Å; M253-A256 PolarHBondContact O-N 2.86Å; M253-L257 WeakPolarHBondContact O-CB 3.47Å; M253-L257 PolarHBondContact O-N 3.47Å; M253-A287 HydrophobicContact CE-CB 3.92Å; M253-A287 WeakPolarHBondContact SD-CA 3.3Å; M253-A287 HydrophobicContact SD-CB 3.83Å; M253-C288 HydrophobicContact CE-CB 3.86Å; M253-C288 VanDerWaalsContact CE-N 3.25Å; M253-C288 WeakPolarHBondContact CE-O 3.49Å; M253-C288 PolarHBondContact SD-N 2.87Å; M253-L324 HydrophobicContact CB-CD1 3.99Å; M253-L324 HydrophobicContact CB-CD2 4.17Å; M253-L324 HydrophobicContact CE-CD2 4.22Å
254	L	60	Low	57.3	Low	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-40	178.4	-178	57.9	0	0	0	110.8	F75 F250 V251 L257 L258 L321 L324	F75-L254 HydrophobicContact CD1-CD2 4.1Å; F75-L254 HydrophobicContact CE1-CD2 3.16Å; F75-L254 HydrophobicContact CE1-CG 3.92Å; F75-L254 HydrophobicContact CE2-CB 4.27Å; F75-L254 HydrophobicContact CE2-CD2 4.14Å; F75-L254 HydrophobicContact CE2-CG 4.04Å; F75-L254 HydrophobicContact CZ-CB 4.05Å; F75-L254 HydrophobicContact CZ-CD2 3.19Å; F75-L254 HydrophobicContact CZ-CG 3.36Å; F250-L254 HydrophobicContact CE1-CB 3.99Å; F250-L254 HydrophobicContact CE1-CD2 3.75Å; F250-L254 HydrophobicContact CE1-CG 4.48Å; F250-L254 HydrophobicContact CZ-CB 4.47Å; F250-L254 HydrophobicContact CZ-CD2 4.29Å; F250-L254 PolarHBondContact O-N 3.39Å; V251-L254 PolarHBondContact O-N 3.02Å; L254-L257 PolarHBondContact O-N 3.15Å; L254-L258 WeakPolarHBondContact O-CB 3.44Å; L254-L258 PolarHBondContact O-N 3.48Å; L254-L321 HydrophobicContact CD1-CD2 4.18Å; L254-L321 HydrophobicContact CD1-CG 4.09Å; L254-L321 HydrophobicContact CD2-CD2 3.42Å; L254-L321 VanDerWaalsContact CD2-CD2 3.42Å; L254-L321 HydrophobicContact CD2-CG 4.11Å; L254-L321 HydrophobicContact CG-CD2 4.47Å; L254-L324 HydrophobicContact CB-CD1 3.52Å; L254-L324 HydrophobicContact CD1-CD1 3.88Å; L254-L324 HydrophobicContact CG-CD1 4.26Å; L254-L324 VanDerWaalsContact N-CD1 3.3Å
255	S	58.4	Low	56.9	Low	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-54.3	-59.4	170.2	-59.5	0	0	0	0	110.1	F75 P96 V251 C252 M253 L257 L258 F259	F75-S255 WeakPolarHBondContact CE2-OG 3.43Å; P96-S255 WeakPolarHBondContact CB-OG 3.46Å; V251-S255 WeakPolarHBondContact O-CB 3.21Å; V251-S255 PolarHBondContact O-N 2.96Å; V251-S255 PolarHBondContact O-OG 2.99Å; C252-S255 WeakPolarHBondContact O-CB 3.42Å; M253-S255 VanDerWaalsContact C-N 3.27Å; M253-S255 PolarHBondContact O-N 2.88Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.34Å; S255-L258 WeakPolarHBondContact O-CB 3.34Å; S255-L258 PolarHBondContact O-N 3.25Å; S255-L258 VanDerWaalsContact O-N 3.12Å; S255-F259 VanDerWaalsContact C-CD2 3.44Å; S255-F259 VanDerWaalsContact C-CE2 3.46Å; S255-F259 WeakPolarHBondContact O-CD2 3.14Å; S255-F259 WeakPolarHBondContact O-CE2 3.28Å; S255-F259 PolarHBondContact O-N 3.21Å; S255-F259 VanDerWaalsContact O-N 3.11Å
256	A	55.1	Low	56.7	Low	5 Å²	5	14.9 Å²	14.9	4%	0.041	8%	0.077	C	C	.	.	H	α-helix	trans	-53.9	-43.9	-179.5	0	0	0	0	0	114.1	F104 C252 M253 F259 R260	F104-A256 HydrophobicContact CB-CB 4.25Å; F104-A256 HydrophobicContact CD2-CB 3.1Å; F104-A256 HydrophobicContact CE2-CB 3.59Å; F104-A256 HydrophobicContact CG-CB 3.81Å; C252-A256 PolarHBondContact O-N 3.35Å; M253-A256 PolarHBondContact O-N 2.86Å; A256-F259 PolarHBondContact O-N 3.1Å; A256-R260 PolarHBondContact O-N 3.06Å
257	L	55.6	Low	56.6	Low	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-67.1	-43.8	179.9	179.2	56.3	0	0	0	111.7	M253 L254 S255 F259 R260 L261 V279 V283 G320 I323 L324	M253-L257 WeakPolarHBondContact O-CB 3.47Å; M253-L257 PolarHBondContact O-N 3.47Å; L254-L257 PolarHBondContact O-N 3.15Å; S255-L257 VanDerWaalsContact C-N 3.29Å; S255-L257 PolarHBondContact O-N 3.34Å; L257-F259 PolarHBondContact O-N 3.02Å; L257-R260 PolarHBondContact O-N 2.87Å; L257-L261 HydrophobicContact CD1-CD1 3.95Å; L257-L261 HydrophobicContact CD1-CG 4.1Å; L257-L261 HydrophobicContact CG-CD1 3.98Å; L257-L261 WeakPolarHBondContact O-CB 3.3Å; L257-L261 VanDerWaalsContact O-CG 3.23Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.42Å; L257-V279 HydrophobicContact CD1-CG1 3.99Å; L257-V283 HydrophobicContact CD1-CG2 4.24Å; L257-G320 VanDerWaalsContact CD2-CA 3.44Å; L257-G320 WeakPolarHBondContact CD2-O 3.41Å; L257-I323 HydrophobicContact CD1-CD1 4.09Å; L257-I323 HydrophobicContact CD2-CB 3.64Å; L257-I323 HydrophobicContact CD2-CD1 4.01Å; L257-I323 HydrophobicContact CD2-CG1 4.34Å; L257-I323 HydrophobicContact CD2-CG2 3.46Å; L257-I323 VanDerWaalsContact CD2-CG2 3.46Å; L257-L324 HydrophobicContact CD2-CD1 4.28Å; L257-L324 HydrophobicContact CD2-CD2 4.48Å; L257-L324 HydrophobicContact CD2-CG 3.93Å
258	L	58.6	Low	56.4	Low	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-53.1	-44.4	173.7	178.6	52.9	0	0	0	110.6	L82 L254 S255 L261 L262 A316 L317	L82-L258 HydrophobicContact CD2-CD2 3.63Å; L82-L258 HydrophobicContact CD2-CG 3.94Å; L254-L258 WeakPolarHBondContact O-CB 3.44Å; L254-L258 PolarHBondContact O-N 3.48Å; S255-L258 WeakPolarHBondContact O-CB 3.34Å; S255-L258 PolarHBondContact O-N 3.25Å; S255-L258 VanDerWaalsContact O-N 3.12Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-L262 HydrophobicContact CD1-CD1 4.07Å; L258-L262 HydrophobicContact CD1-CG 4.27Å; L258-L262 HydrophobicContact CG-CD1 3.93Å; L258-L262 WeakPolarHBondContact O-CB 3.16Å; L258-L262 WeakPolarHBondContact O-CG 3.2Å; L258-L262 PolarHBondContact O-N 3.22Å; L258-A316 HydrophobicContact CD1-CB 3.79Å; L258-L317 HydrophobicContact CD1-CB 3.82Å; L258-L317 HydrophobicContact CD1-CD1 4.31Å; L258-L317 VanDerWaalsContact CD1-N 3.34Å; L258-L317 HydrophobicContact CD2-CD1 3.88Å
259	F	57.2	Low	56.1	Low	6 Å²	6	17 Å²	17	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-69.8	-42.3	178.6	-60.2	-60	0	0	0	114.5	F36 L82 P96 V97 S255 A256 L257 L261 L262 A263	F36-F259 HydrophobicContact CE1-CD1 4.02Å; F36-F259 HydrophobicContact CZ-CD1 4.46Å; L82-F259 HydrophobicContact CD1-CE1 4.41Å; L82-F259 HydrophobicContact CD2-CE1 3.69Å; L82-F259 HydrophobicContact CD2-CZ 4.1Å; P96-F259 HydrophobicContact CB-CE2 3.46Å; P96-F259 VanDerWaalsContact CB-CE2 3.46Å; P96-F259 HydrophobicContact CB-CZ 3.42Å; P96-F259 VanDerWaalsContact CB-CZ 3.42Å; P96-F259 HydrophobicContact CG-CE2 4.41Å; P96-F259 HydrophobicContact CG-CZ 3.89Å; P96-F259 VanDerWaalsContact O-CD2 3.27Å; P96-F259 WeakPolarHBondContact O-CD2 3.06Å; P96-F259 WeakPolarHBondContact O-CE2 3.49Å; V97-F259 HydrophobicContact CB-CD1 4.32Å; V97-F259 HydrophobicContact CB-CD2 4.47Å; V97-F259 HydrophobicContact CB-CE1 4.3Å; V97-F259 HydrophobicContact CB-CG 4.42Å; V97-F259 HydrophobicContact CB-CZ 4.45Å; V97-F259 HydrophobicContact CG2-CD1 3.31Å; V97-F259 HydrophobicContact CG2-CD2 4.22Å; V97-F259 HydrophobicContact CG2-CE1 3.21Å; V97-F259 HydrophobicContact CG2-CE2 4.25Å; V97-F259 HydrophobicContact CG2-CG 3.84Å; V97-F259 HydrophobicContact CG2-CZ 3.75Å; V97-F259 VanDerWaalsContact N-CZ 3.27Å; S255-F259 VanDerWaalsContact C-CD2 3.44Å; S255-F259 VanDerWaalsContact C-CE2 3.46Å; S255-F259 WeakPolarHBondContact O-CD2 3.14Å; S255-F259 WeakPolarHBondContact O-CE2 3.28Å; S255-F259 PolarHBondContact O-N 3.21Å; S255-F259 VanDerWaalsContact O-N 3.11Å; A256-F259 PolarHBondContact O-N 3.1Å; L257-F259 PolarHBondContact O-N 3.02Å; F259-L261 PolarHBondContact O-N 2.82Å; F259-L262 HydrophobicContact CD1-CD1 3.77Å; F259-L262 HydrophobicContact CE1-CD1 4.01Å; F259-L262 WeakPolarHBondContact O-CB 3.27Å; F259-L262 PolarHBondContact O-N 2.9Å; F259-L262 VanDerWaalsContact O-N 3.07Å; F259-A263 WeakPolarHBondContact O-CB 3.46Å; F259-A263 PolarHBondContact O-N 3.38Å
260	R	55	Low	55.8	Low	36 Å²	36	18.7 Å²	18.7	14%	0.136	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-29.5	175.2	-76.2	-178.2	171.5	176.8	-2	112.5	F104 E105 A256 L257 K264 L282	F104-R260 PolarHBondContact O-NH2 3.38Å; E105-R260 IonicContact OE1-CZ 3.57Å; E105-R260 IonicContact OE1-NE 3.88Å; E105-R260 PolarHBondContact OE1-NE 3.46Å; E105-R260 VanDerWaalsContact OE1-NE 3.08Å; E105-R260 IonicContact OE1-NH2 3.16Å; E105-R260 PolarHBondContact OE1-NH2 3.04Å; E105-R260 IonicContact OE2-NH2 3.82Å; A256-R260 PolarHBondContact O-N 3.06Å; L257-R260 PolarHBondContact O-N 2.87Å; R260-K264 WeakPolarHBondContact O-CD 3.09Å; R260-K264 WeakPolarHBondContact O-CE 3.34Å; R260-K264 WeakPolarHBondContact O-CG 3.27Å; R260-L282 VanDerWaalsContact NH1-CD2 3.25Å
261	L	57	Low	55.5	Low	1 Å²	1	25 Å²	25	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-80.9	-35.8	174.8	-64.7	172	0	0	0	111.3	L257 L258 F259 K264 V269 A316 A319	L257-L261 HydrophobicContact CD1-CD1 3.95Å; L257-L261 HydrophobicContact CD1-CG 4.1Å; L257-L261 HydrophobicContact CG-CD1 3.98Å; L257-L261 WeakPolarHBondContact O-CB 3.3Å; L257-L261 VanDerWaalsContact O-CG 3.23Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.42Å; L258-L261 PolarHBondContact O-N 2.91Å; F259-L261 PolarHBondContact O-N 2.82Å; L261-K264 WeakPolarHBondContact O-CB 3.33Å; L261-K264 PolarHBondContact O-N 3.25Å; L261-V269 HydrophobicContact CB-CG2 4.28Å; L261-V269 HydrophobicContact CD2-CG1 4.21Å; L261-V269 HydrophobicContact CD2-CG2 4.47Å; L261-V269 WeakPolarHBondContact O-CG2 3.46Å; L261-A316 HydrophobicContact CB-CB 3.46Å; L261-A316 VanDerWaalsContact CB-CB 3.46Å; L261-A316 WeakPolarHBondContact CD1-O 3.36Å; L261-A319 HydrophobicContact CD1-CB 3.71Å
262	L	58	Low	54.9	Low	6 Å²	6	25 Å²	25	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-34.5	173.7	-76.9	168.7	0	0	0	114.2	F36 L40 L82 L258 F259 K264 R313 A316	F36-L262 HydrophobicContact CZ-CB 4.21Å; L40-L262 HydrophobicContact CD2-CB 4.34Å; L40-L262 WeakPolarHBondContact CD2-O 3.33Å; L82-L262 HydrophobicContact CD1-CD1 4.29Å; L82-L262 HydrophobicContact CD2-CD1 3.46Å; L82-L262 VanDerWaalsContact CD2-CD1 3.46Å; L82-L262 HydrophobicContact CG-CD1 4.1Å; L258-L262 HydrophobicContact CD1-CD1 4.07Å; L258-L262 HydrophobicContact CD1-CG 4.27Å; L258-L262 HydrophobicContact CG-CD1 3.93Å; L258-L262 WeakPolarHBondContact O-CB 3.16Å; L258-L262 WeakPolarHBondContact O-CG 3.2Å; L258-L262 PolarHBondContact O-N 3.22Å; F259-L262 HydrophobicContact CD1-CD1 3.77Å; F259-L262 HydrophobicContact CE1-CD1 4.01Å; F259-L262 WeakPolarHBondContact O-CB 3.27Å; F259-L262 PolarHBondContact O-N 2.9Å; F259-L262 VanDerWaalsContact O-N 3.07Å; L262-K264 PolarHBondContact O-N 3.41Å; L262-R313 HydrophobicContact CD2-CB 3.57Å; L262-R313 HydrophobicContact CD2-CG 3.42Å; L262-R313 VanDerWaalsContact CD2-CG 3.42Å; L262-A316 HydrophobicContact CD2-CB 4.23Å; L262-A316 HydrophobicContact CG-CB 4.05Å
263	A	55.3	Low	54.4	Low	6 Å²	6	26.3 Å²	26.3	5%	0.05	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	2.5	176.8	0	0	0	0	0	113.7	F36 Y47 F259	F36-A263 HydrophobicContact CE2-CB 3.88Å; F36-A263 HydrophobicContact CZ-CB 4.44Å; Y47-A263 HydrophobicContact CD2-CB 4.35Å; F259-A263 WeakPolarHBondContact O-CB 3.46Å; F259-A263 PolarHBondContact O-N 3.38Å
264	K	53.7	Low	53.9	Low	66 Å²	66	33.1 Å²	33.1	29%	0.287	16%	0.155	S	C	.	.	S	Bend	trans	-119.8	150.9	-174.7	-68.1	-177.9	-177.1	-167.4	0	110.4	R260 L261 L262 A268 V269	R260-K264 WeakPolarHBondContact O-CD 3.09Å; R260-K264 WeakPolarHBondContact O-CE 3.34Å; R260-K264 WeakPolarHBondContact O-CG 3.27Å; L261-K264 WeakPolarHBondContact O-CB 3.33Å; L261-K264 PolarHBondContact O-N 3.25Å; L262-K264 PolarHBondContact O-N 3.41Å; K264-A268 HydrophobicContact CB-CB 3.92Å; K264-A268 HydrophobicContact CG-CB 4.49Å; K264-V269 HydrophobicContact CB-CG2 3.82Å
265	S	52.8	Low	53	Low	23 Å²	23	38.1 Å²	38.1	16%	0.161	18%	0.182	C	C	.	.			trans	-61	156.9	167.6	94.4	0	0	0	0	110.8	E267 A268 V269	S265-E267 WeakPolarHBondContact CB-OE2 3.39Å; S265-E267 PolarHBondContact O-N 3.04Å; S265-E267 PolarHBondContact OG-N 3.27Å; S265-E267 PolarHBondContact OG-OE2 3.25Å; S265-A268 CarbonylContact O-C 3.59Å; S265-A268 WeakPolarHBondContact O-CA 3.38Å; S265-A268 WeakPolarHBondContact O-CB 3.34Å; S265-A268 PolarHBondContact O-N 3.21Å; S265-A268 PolarHBondContact OG-N 3.28Å; S265-A268 VanDerWaalsContact OG-N 3.07Å; S265-V269 WeakPolarHBondContact O-CG2 3Å; S265-V269 PolarHBondContact O-N 2.95Å
266	P	51.4	Low	52.1	Low	34 Å²	34	39.7 Å²	39.7	22%	0.221	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-37.5	178.1	14.4	-17.6	0	0	0	112.1	A268 V269 E270 I310 N312	P266-A268 VanDerWaalsContact C-N 3.35Å; P266-V269 WeakPolarHBondContact O-CB 2.96Å; P266-V269 PolarHBondContact O-N 3.47Å; P266-E270 WeakPolarHBondContact O-CB 3.47Å; P266-E270 PolarHBondContact O-N 3.3Å; P266-I310 HydrophobicContact CB-CG2 4.3Å; P266-N312 WeakPolarHBondContact CB-OD1 3.13Å; P266-N312 WeakPolarHBondContact CD-ND2 3.11Å; P266-N312 WeakPolarHBondContact CD-OD1 3.43Å; P266-N312 WeakPolarHBondContact CG-OD1 3.15Å
267	E	55.3	Low	51.2	Low	109 Å²	109	42.6 Å²	42.6	51%	0.509	21%	0.209	S	C	.	.	H	α-helix	trans	-68.6	-34.1	175	-53.9	76.5	-167.9	0	0	111.8	S265 R271	S265-E267 WeakPolarHBondContact CB-OE2 3.39Å; S265-E267 PolarHBondContact O-N 3.04Å; S265-E267 PolarHBondContact OG-N 3.27Å; S265-E267 PolarHBondContact OG-OE2 3.25Å; E267-R271 VanDerWaalsContact O-CB 3.24Å; E267-R271 WeakPolarHBondContact O-CB 3.41Å; E267-R271 WeakPolarHBondContact O-CG 2.93Å; E267-R271 PolarHBondContact O-N 2.62Å; E267-R271 PolarHBondContact O-NE 3.29Å
268	A	55.1	Low	50.2	Low	6 Å²	6	48.1 Å²	48.1	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-35.2	174.4	0	0	0	0	0	111.9	E46 K264 S265 P266 A272	E46-A268 WeakPolarHBondContact OE1-CB 3.41Å; K264-A268 HydrophobicContact CB-CB 3.92Å; K264-A268 HydrophobicContact CG-CB 4.49Å; S265-A268 CarbonylContact O-C 3.59Å; S265-A268 WeakPolarHBondContact O-CA 3.38Å; S265-A268 WeakPolarHBondContact O-CB 3.34Å; S265-A268 PolarHBondContact O-N 3.21Å; S265-A268 PolarHBondContact OG-N 3.28Å; S265-A268 VanDerWaalsContact OG-N 3.07Å; P266-A268 VanDerWaalsContact C-N 3.35Å; A268-A272 WeakPolarHBondContact O-CB 3.34Å; A268-A272 PolarHBondContact O-N 3.29Å
269	V	50.5	Low	49	Very low	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-50.2	168.3	172.4	0	0	0	0	110	L261 K264 S265 P266 R271 A272 M273 V315	L261-V269 HydrophobicContact CB-CG2 4.28Å; L261-V269 HydrophobicContact CD2-CG1 4.21Å; L261-V269 HydrophobicContact CD2-CG2 4.47Å; L261-V269 WeakPolarHBondContact O-CG2 3.46Å; K264-V269 HydrophobicContact CB-CG2 3.82Å; S265-V269 WeakPolarHBondContact O-CG2 3Å; S265-V269 PolarHBondContact O-N 2.95Å; P266-V269 WeakPolarHBondContact O-CB 2.96Å; P266-V269 PolarHBondContact O-N 3.47Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.36Å; V269-A272 CarbonylContact O-C 3.43Å; V269-A272 WeakPolarHBondContact O-CB 3.37Å; V269-A272 PolarHBondContact O-N 3.36Å; V269-A272 VanDerWaalsContact O-N 3.11Å; V269-M273 HydrophobicContact CG1-CG 4.43Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.46Å; V269-M273 PolarHBondContact O-N 2.74Å; V269-V315 HydrophobicContact CG1-CG1 3.79Å
270	E	49.3	Very low	47.9	Very low	72 Å²	72	49 Å²	49	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-42.2	178.1	-163.4	-162.3	161.6	0	0	111.6	P266 M273 K274 L304	P266-E270 WeakPolarHBondContact O-CB 3.47Å; P266-E270 PolarHBondContact O-N 3.3Å; E270-M273 CarbonylContact O-C 3.38Å; E270-M273 WeakPolarHBondContact O-CB 3.43Å; E270-M273 PolarHBondContact O-N 2.89Å; E270-K274 WeakPolarHBondContact O-CG 3.16Å; E270-K274 PolarHBondContact O-N 3.05Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; E270-K274 IonicContact OE1-NZ 2.65Å; E270-K274 PolarHBondContact OE1-NZ 3.12Å; E270-L304 HydrophobicContact CG-CD1 4.32Å
271	R	54.1	Low	46.9	Very low	134 Å²	134	49.7 Å²	49.7	51%	0.506	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-40.2	173.3	-77.7	-178	-65.1	167.6	6.7	112	E46 E267 V269 M273 K274 N275	E46-R271 IonicContact OE1-NH2 2.75Å; E46-R271 PolarHBondContact OE1-NH2 2.83Å; E267-R271 VanDerWaalsContact O-CB 3.24Å; E267-R271 WeakPolarHBondContact O-CB 3.41Å; E267-R271 WeakPolarHBondContact O-CG 2.93Å; E267-R271 PolarHBondContact O-N 2.62Å; E267-R271 PolarHBondContact O-NE 3.29Å; V269-R271 VanDerWaalsContact C-N 3.34Å; V269-R271 PolarHBondContact O-N 3.36Å; R271-M273 VanDerWaalsContact C-N 3.29Å; R271-K274 PolarHBondContact O-N 3.29Å; R271-N275 WeakPolarHBondContact O-CB 3.47Å; R271-N275 PolarHBondContact O-N 3.13Å
272	A	49	Very low	46	Very low	11 Å²	11	54.4 Å²	54.4	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-36.4	174.6	0	0	0	0	0	111.4	A268 V269 N275 F276 V279	A268-A272 WeakPolarHBondContact O-CB 3.34Å; A268-A272 PolarHBondContact O-N 3.29Å; V269-A272 CarbonylContact O-C 3.43Å; V269-A272 WeakPolarHBondContact O-CB 3.37Å; V269-A272 PolarHBondContact O-N 3.36Å; V269-A272 VanDerWaalsContact O-N 3.11Å; A272-N275 CarbonylContact O-C 3.59Å; A272-N275 PolarHBondContact O-N 3.08Å; A272-F276 WeakPolarHBondContact O-CA 3.38Å; A272-F276 PolarHBondContact O-N 3.41Å; A272-V279 HydrophobicContact CB-CG2 3.96Å
273	M	45.8	Very low	45.1	Very low	31 Å²	31	54.2 Å²	54.2	15%	0.153	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-35.5	172.5	-69.1	-54.3	-72.7	0	0	112.4	V269 E270 R271 F276 L297 I300 A319 I323	V269-M273 HydrophobicContact CG1-CG 4.43Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.46Å; V269-M273 PolarHBondContact O-N 2.74Å; E270-M273 CarbonylContact O-C 3.38Å; E270-M273 WeakPolarHBondContact O-CB 3.43Å; E270-M273 PolarHBondContact O-N 2.89Å; R271-M273 VanDerWaalsContact C-N 3.29Å; M273-F276 WeakPolarHBondContact O-CB 3.37Å; M273-L297 HydrophobicContact CE-CD2 4.41Å; M273-I300 HydrophobicContact CE-CD1 3.44Å; M273-I300 VanDerWaalsContact CE-CD1 3.44Å; M273-I300 HydrophobicContact CG-CD1 4.09Å; M273-I300 HydrophobicContact SD-CD1 4.36Å; M273-A319 HydrophobicContact CE-CB 3.91Å; M273-A319 HydrophobicContact CG-CB 4.11Å; M273-A319 HydrophobicContact SD-CB 3.57Å; M273-A319 VanDerWaalsContact SD-CB 3.57Å; M273-I323 HydrophobicContact CE-CD1 4.36Å; M273-I323 HydrophobicContact CE-CG1 4.14Å; M273-I323 HydrophobicContact SD-CD1 3.72Å; M273-I323 HydrophobicContact SD-CG1 4.16Å
274	K	44.8	Very low	44.1	Very low	143 Å²	143	54.8 Å²	54.8	62%	0.622	28%	0.279	S	S	*	.	H	α-helix	trans	-69.8	-35.9	172.1	-72.9	172.8	-175.5	165.2	0	112.1	E270 R271 F276	E270-K274 WeakPolarHBondContact O-CG 3.16Å; E270-K274 PolarHBondContact O-N 3.05Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; E270-K274 IonicContact OE1-NZ 2.65Å; E270-K274 PolarHBondContact OE1-NZ 3.12Å; R271-K274 PolarHBondContact O-N 3.29Å; K274-F276 VanDerWaalsContact C-N 3.32Å
275	N	41.5	Very low	43.3	Very low	106 Å²	106	59.6 Å²	59.6	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	34.9	175.7	-68.3	-33.3	0	0	0	112.1	R271 A272 S277 N278	R271-N275 WeakPolarHBondContact O-CB 3.47Å; R271-N275 PolarHBondContact O-N 3.13Å; A272-N275 CarbonylContact O-C 3.59Å; A272-N275 PolarHBondContact O-N 3.08Å; N275-S277 PolarHBondContact O-N 3.07Å; N275-N278 PolarHBondContact O-N 3.43Å; N275-N278 VanDerWaalsContact O-N 3.1Å
276	F	39.4	Very low	42.6	Very low	34 Å²	34	61.4 Å²	61.4	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-46.5	-36.9	-170.1	174.1	-123.4	0	0	0	114.4	A272 M273 K274 N278 V279 F280 I323	A272-F276 WeakPolarHBondContact O-CA 3.38Å; A272-F276 PolarHBondContact O-N 3.41Å; M273-F276 WeakPolarHBondContact O-CB 3.37Å; K274-F276 VanDerWaalsContact C-N 3.32Å; F276-N278 PolarHBondContact O-N 2.82Å; F276-V279 PolarHBondContact O-N 3Å; F276-F280 HydrophobicContact CD1-CB 4.22Å; F276-F280 HydrophobicContact CD1-CG 4.39Å; F276-F280 HydrophobicContact CD2-CB 3.91Å; F276-F280 HydrophobicContact CD2-CD2 4.48Å; F276-F280 HydrophobicContact CE1-CB 3.99Å; F276-F280 HydrophobicContact CE1-CD1 4.19Å; F276-F280 AromaticContact CE1-CD2 3.64Å; F276-F280 HydrophobicContact CE1-CD2 3.64Å; F276-F280 HydrophobicContact CE1-CE1 4.47Å; F276-F280 AromaticContact CE1-CE2 3.91Å; F276-F280 HydrophobicContact CE1-CE2 3.91Å; F276-F280 AromaticContact CE1-CG 3.71Å; F276-F280 HydrophobicContact CE1-CG 3.71Å; F276-F280 HydrophobicContact CE1-CZ 4.28Å; F276-F280 HydrophobicContact CE2-CB 3.55Å; F276-F280 AromaticContact CE2-CD2 3.37Å; F276-F280 HydrophobicContact CE2-CD2 3.37Å; F276-F280 HydrophobicContact CE2-CE2 4.16Å; F276-F280 AromaticContact CE2-CG 3.77Å; F276-F280 HydrophobicContact CE2-CG 3.77Å; F276-F280 HydrophobicContact CG-CB 4.23Å; F276-F280 HydrophobicContact CZ-CB 3.71Å; F276-F280 HydrophobicContact CZ-CD1 4.29Å; F276-F280 AromaticContact CZ-CD2 2.93Å; F276-F280 HydrophobicContact CZ-CD2 2.93Å; F276-F280 AromaticContact CZ-CE2 3.32Å; F276-F280 HydrophobicContact CZ-CE2 3.32Å; F276-F280 AromaticContact CZ-CG 3.43Å; F276-F280 HydrophobicContact CZ-CG 3.43Å; F276-F280 VanDerWaalsContact CZ-CG 3.43Å; F276-F280 HydrophobicContact CZ-CZ 4.13Å; F276-F280 WeakPolarHBondContact O-CB 3.48Å; F276-F280 PolarHBondContact O-N 3.39Å; F276-I323 HydrophobicContact CD2-CD1 3.96Å; F276-I323 HydrophobicContact CD2-CG1 3.94Å; F276-I323 HydrophobicContact CE2-CB 3.84Å; F276-I323 HydrophobicContact CE2-CD1 3.64Å; F276-I323 HydrophobicContact CE2-CG1 3.26Å; F276-I323 HydrophobicContact CE2-CG2 3.71Å; F276-I323 HydrophobicContact CZ-CB 4.31Å; F276-I323 HydrophobicContact CZ-CG1 4.07Å; F276-I323 HydrophobicContact CZ-CG2 4.16Å
277	S	35.5	Very low	42.2	Very low	66 Å²	66	60.7 Å²	60.7	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-51.6	-34.4	-178.5	58.9	0	0	0	0	113.6	N275 V281	N275-S277 PolarHBondContact O-N 3.07Å; S277-V281 WeakPolarHBondContact O-CB 3.46Å; S277-V281 WeakPolarHBondContact O-CG2 3.33Å; S277-V281 PolarHBondContact O-N 2.84Å
278	N	34.6	Very low	41.5	Very low	117 Å²	117	56.6 Å²	56.6	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-80.9	-39.4	-175.7	-68.2	-7.4	0	0	0	112.9	N275 F276 L282	N275-N278 PolarHBondContact O-N 3.43Å; N275-N278 VanDerWaalsContact O-N 3.1Å; F276-N278 PolarHBondContact O-N 2.82Å; N278-L282 PolarHBondContact O-N 3.47Å
279	V	34.4	Very low	41	Very low	24 Å²	24	58 Å²	58	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-74.4	-39	175.3	177.1	0	0	0	0	110.2	L257 A272 F276 L282 V283	L257-V279 HydrophobicContact CD1-CG1 3.99Å; A272-V279 HydrophobicContact CB-CG2 3.96Å; F276-V279 PolarHBondContact O-N 3Å; V279-L282 PolarHBondContact O-N 3.14Å; V279-V283 VanDerWaalsContact O-CG2 3.29Å; V279-V283 WeakPolarHBondContact O-CG2 3.48Å; V279-V283 PolarHBondContact O-N 3.31Å
280	F	33.7	Very low	40.7	Very low	4 Å²	4	58.1 Å²	58.1	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-57.2	174.9	-169.5	-117.1	0	0	0	111.7	F276 L282 V283 T284 I323 Q326 N329 M333	F276-F280 HydrophobicContact CD1-CB 4.22Å; F276-F280 HydrophobicContact CD1-CG 4.39Å; F276-F280 HydrophobicContact CD2-CB 3.91Å; F276-F280 HydrophobicContact CD2-CD2 4.48Å; F276-F280 HydrophobicContact CE1-CB 3.99Å; F276-F280 HydrophobicContact CE1-CD1 4.19Å; F276-F280 AromaticContact CE1-CD2 3.64Å; F276-F280 HydrophobicContact CE1-CD2 3.64Å; F276-F280 HydrophobicContact CE1-CE1 4.47Å; F276-F280 AromaticContact CE1-CE2 3.91Å; F276-F280 HydrophobicContact CE1-CE2 3.91Å; F276-F280 AromaticContact CE1-CG 3.71Å; F276-F280 HydrophobicContact CE1-CG 3.71Å; F276-F280 HydrophobicContact CE1-CZ 4.28Å; F276-F280 HydrophobicContact CE2-CB 3.55Å; F276-F280 AromaticContact CE2-CD2 3.37Å; F276-F280 HydrophobicContact CE2-CD2 3.37Å; F276-F280 HydrophobicContact CE2-CE2 4.16Å; F276-F280 AromaticContact CE2-CG 3.77Å; F276-F280 HydrophobicContact CE2-CG 3.77Å; F276-F280 HydrophobicContact CG-CB 4.23Å; F276-F280 HydrophobicContact CZ-CB 3.71Å; F276-F280 HydrophobicContact CZ-CD1 4.29Å; F276-F280 AromaticContact CZ-CD2 2.93Å; F276-F280 HydrophobicContact CZ-CD2 2.93Å; F276-F280 AromaticContact CZ-CE2 3.32Å; F276-F280 HydrophobicContact CZ-CE2 3.32Å; F276-F280 AromaticContact CZ-CG 3.43Å; F276-F280 HydrophobicContact CZ-CG 3.43Å; F276-F280 VanDerWaalsContact CZ-CG 3.43Å; F276-F280 HydrophobicContact CZ-CZ 4.13Å; F276-F280 WeakPolarHBondContact O-CB 3.48Å; F276-F280 PolarHBondContact O-N 3.39Å; F280-L282 PolarHBondContact O-N 3.4Å; F280-L282 VanDerWaalsContact O-N 3.09Å; F280-V283 CarbonylContact O-C 3.55Å; F280-V283 PolarHBondContact O-N 3.36Å; F280-T284 HydrophobicContact CD1-CG2 4.28Å; F280-T284 WeakPolarHBondContact CD1-OG1 3.41Å; F280-T284 HydrophobicContact CD2-CG2 3.3Å; F280-T284 HydrophobicContact CE1-CG2 4.23Å; F280-T284 HydrophobicContact CE2-CG2 3.31Å; F280-T284 HydrophobicContact CG-CG2 3.89Å; F280-T284 HydrophobicContact CZ-CG2 3.83Å; F280-T284 WeakPolarHBondContact O-CB 3.33Å; F280-T284 PolarHBondContact O-N 3.42Å; F280-T284 PolarHBondContact O-OG1 2.99Å; F280-I323 HydrophobicContact CD2-CG2 3.87Å; F280-I323 HydrophobicContact CE2-CG2 4.33Å; F280-Q326 HydrophobicContact CZ-CB 4.47Å; F280-N329 WeakPolarHBondContact CE1-OD1 3.04Å; F280-N329 WeakPolarHBondContact CZ-OD1 3.43Å; F280-M333 HydrophobicContact CD1-CE 4.4Å; F280-M333 HydrophobicContact CE1-CE 4.49Å
281	V	34	Very low	40.5	Very low	50 Å²	50	62.2 Å²	62.2	30%	0.303	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-30.6	-177.4	169.2	0	0	0	0	112.3	S277 K285 M333	S277-V281 WeakPolarHBondContact O-CB 3.46Å; S277-V281 WeakPolarHBondContact O-CG2 3.33Å; S277-V281 PolarHBondContact O-N 2.84Å; V281-K285 HydrophobicContact CG1-CD 4.15Å; V281-K285 HydrophobicContact CG1-CG 4.32Å; V281-K285 WeakPolarHBondContact O-CB 3.42Å; V281-K285 VanDerWaalsContact O-CG 3.26Å; V281-K285 WeakPolarHBondContact O-CG 3.44Å; V281-K285 PolarHBondContact O-N 3.19Å; V281-M333 HydrophobicContact CG2-CE 4.15Å
282	L	38.6	Very low	39.9	Very low	100 Å²	100	61 Å²	61	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-74.9	-28.2	177.7	-138.5	122.6	0	0	0	113	R260 N278 V279 F280	R260-L282 VanDerWaalsContact NH1-CD2 3.25Å; N278-L282 PolarHBondContact O-N 3.47Å; V279-L282 PolarHBondContact O-N 3.14Å; F280-L282 PolarHBondContact O-N 3.4Å; F280-L282 VanDerWaalsContact O-N 3.09Å
283	V	37.5	Very low	39.5	Very low	2 Å²	2	61.6 Å²	61.6	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-96.8	-34.2	-178.8	174.9	0	0	0	0	111.8	F104 L257 V279 F280 L324	F104-V283 HydrophobicContact CE1-CG1 4.4Å; L257-V283 HydrophobicContact CD1-CG2 4.24Å; V279-V283 VanDerWaalsContact O-CG2 3.29Å; V279-V283 WeakPolarHBondContact O-CG2 3.48Å; V279-V283 PolarHBondContact O-N 3.31Å; F280-V283 CarbonylContact O-C 3.55Å; F280-V283 PolarHBondContact O-N 3.36Å; V283-L324 HydrophobicContact CG1-CD2 4.01Å
284	T	35.7	Very low	39.4	Very low	17 Å²	17	62.2 Å²	62.2	10%	0.104	34%	0.335	C	S	.	.	H	α-helix	trans	-96.5	-12.2	-170.6	64.1	0	0	0	0	116.3	F280 T286 A287 N329	F280-T284 HydrophobicContact CD1-CG2 4.28Å; F280-T284 WeakPolarHBondContact CD1-OG1 3.41Å; F280-T284 HydrophobicContact CD2-CG2 3.3Å; F280-T284 HydrophobicContact CE1-CG2 4.23Å; F280-T284 HydrophobicContact CE2-CG2 3.31Å; F280-T284 HydrophobicContact CG-CG2 3.89Å; F280-T284 HydrophobicContact CZ-CG2 3.83Å; F280-T284 WeakPolarHBondContact O-CB 3.33Å; F280-T284 PolarHBondContact O-N 3.42Å; F280-T284 PolarHBondContact O-OG1 2.99Å; T284-T286 PolarHBondContact O-N 3.43Å; T284-A287 HydrophobicContact CG2-CB 4.08Å; T284-A287 PolarHBondContact O-N 3.3Å; T284-A287 VanDerWaalsContact O-N 3.08Å; T284-N329 WeakPolarHBondContact CB-OD1 3.23Å
285	K	36.2	Very low	39.4	Very low	168 Å²	168	56.2 Å²	56.2	73%	0.73	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.4	169.3	-89.8	-179.9	175.2	-176.5	0	113.3	V281	V281-K285 HydrophobicContact CG1-CD 4.15Å; V281-K285 HydrophobicContact CG1-CG 4.32Å; V281-K285 WeakPolarHBondContact O-CB 3.42Å; V281-K285 VanDerWaalsContact O-CG 3.26Å; V281-K285 WeakPolarHBondContact O-CG 3.44Å; V281-K285 PolarHBondContact O-N 3.19Å
286	T	38.7	Very low	39.4	Very low	60 Å²	60	53.8 Å²	53.8	37%	0.368	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	12.4	176.9	49.4	0	0	0	0	113.1	T284 C288	T284-T286 PolarHBondContact O-N 3.43Å; T286-C288 PolarHBondContact O-N 3.46Å
287	A	41.8	Very low	39.4	Very low	20 Å²	20	56.3 Å²	56.3	17%	0.165	31%	0.314	C	S	.	.			trans	-75.5	129.8	-170.6	0	0	0	0	0	113.5	M253 T284 T289	M253-A287 HydrophobicContact CE-CB 3.92Å; M253-A287 WeakPolarHBondContact SD-CA 3.3Å; M253-A287 HydrophobicContact SD-CB 3.83Å; T284-A287 HydrophobicContact CG2-CB 4.08Å; T284-A287 PolarHBondContact O-N 3.3Å; T284-A287 VanDerWaalsContact O-N 3.08Å; A287-T289 PolarHBondContact O-N 3.04Å; A287-T289 VanDerWaalsContact O-N 3.14Å
288	C	40.9	Very low	39.9	Very low	23 Å²	23	58.3 Å²	58.3	16%	0.155	31%	0.314	C	S	.	.			trans	-70.9	97	157.9	-65.9	0	0	0	0	108.7	E246 K249 M253 T286	E246-C288 WeakPolarHBondContact OE2-CB 3.5Å; E246-C288 PolarHBondContact OE2-SG 2.92Å; K249-C288 HydrophobicContact CB-CB 4.34Å; K249-C288 VanDerWaalsContact CD-SG 3.52Å; M253-C288 HydrophobicContact CE-CB 3.86Å; M253-C288 VanDerWaalsContact CE-N 3.25Å; M253-C288 WeakPolarHBondContact CE-O 3.49Å; M253-C288 PolarHBondContact SD-N 2.87Å; T286-C288 PolarHBondContact O-N 3.46Å
289	T	45.5	Very low	40.4	Very low	36 Å²	36	53.3 Å²	53.3	22%	0.221	29%	0.288	C	S	.	.			trans	-67.4	143.6	167.2	40.1	0	0	0	0	110.7	A287 K291 Q326 N329	A287-T289 PolarHBondContact O-N 3.04Å; A287-T289 VanDerWaalsContact O-N 3.14Å; T289-K291 PolarHBondContact O-N 3.4Å; T289-K291 VanDerWaalsContact O-N 3.13Å; T289-Q326 VanDerWaalsContact CG2-O 3.31Å; T289-Q326 WeakPolarHBondContact CG2-O 2.88Å; T289-N329 HydrophobicContact CG2-CB 3.44Å; T289-N329 VanDerWaalsContact CG2-CB 3.44Å; T289-N329 WeakPolarHBondContact CG2-ND2 3.37Å
290	I	44.4	Very low	40.7	Very low	3 Å²	3	53 Å²	53	2%	0.015	29%	0.285	C	S	.	.			trans	-69.4	110.3	157.5	-52.9	-174.7	0	0	0	105.8	F235 L239 Q242 F250 S292	F235-I290 HydrophobicContact CD2-CD1 3.8Å; F235-I290 HydrophobicContact CE2-CD1 3.14Å; F235-I290 HydrophobicContact CE2-CG1 4.32Å; F235-I290 HydrophobicContact CZ-CD1 3.59Å; L239-I290 HydrophobicContact CB-CD1 3.72Å; L239-I290 HydrophobicContact CD1-CD1 3.65Å; L239-I290 HydrophobicContact CD1-CG1 4.06Å; L239-I290 HydrophobicContact CD2-CD1 4.28Å; L239-I290 HydrophobicContact CG-CD1 4.07Å; Q242-I290 HydrophobicContact CG-CG2 4.43Å; F250-I290 HydrophobicContact CD2-CD1 3.95Å; F250-I290 HydrophobicContact CD2-CG1 3.6Å; F250-I290 HydrophobicContact CE2-CD1 3.9Å; F250-I290 HydrophobicContact CE2-CG1 3.85Å; F250-I290 HydrophobicContact CG-CD1 4.35Å; F250-I290 HydrophobicContact CG-CG1 4.25Å; F250-I290 HydrophobicContact CZ-CD1 4.36Å; I290-S292 PolarHBondContact O-N 2.89Å
291	K	43.6	Very low	41.2	Very low	157 Å²	157	59.6 Å²	59.6	68%	0.683	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137.8	171.7	-67	-176.8	179.1	-179.1	0	109.1	T289	T289-K291 PolarHBondContact O-N 3.4Å; T289-K291 VanDerWaalsContact O-N 3.13Å
292	S	42.3	Very low	41.8	Very low	108 Å²	108	59.3 Å²	59.3	76%	0.755	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	20.7	167.6	-41.5	0	0	0	0	117.3	I290	I290-S292 PolarHBondContact O-N 2.89Å
293	Y	39.9	Very low	42	Very low	25 Å²	25	55.7 Å²	55.7	10%	0.098	30%	0.295	C	S	.	.			trans	-137.7	154.3	174.6	-175	-91.2	0	0	0	111.2	D231 D234 F235 L295 S325	D231-Y293 PolarHBondContact O-OH 3.13Å; D234-Y293 HydrophobicContact CB-CD2 4.3Å; D234-Y293 HydrophobicContact CB-CE2 3.66Å; F235-Y293 HydrophobicContact CB-CD1 3.98Å; F235-Y293 HydrophobicContact CB-CE1 3.35Å; F235-Y293 HydrophobicContact CB-CE2 4.15Å; F235-Y293 VanDerWaalsContact CB-CZ 3.47Å; F235-Y293 AromaticContact CD2-CD1 3.55Å; F235-Y293 HydrophobicContact CD2-CD1 3.55Å; F235-Y293 AromaticContact CD2-CE1 3.5Å; F235-Y293 HydrophobicContact CD2-CE1 3.5Å; F235-Y293 VanDerWaalsContact CD2-CE1 3.5Å; F235-Y293 HydrophobicContact CG-CD1 4.25Å; F235-Y293 AromaticContact CG-CE1 3.86Å; F235-Y293 HydrophobicContact CG-CE1 3.86Å; Y293-L295 HydrophobicContact CE1-CD1 4.4Å; Y293-L295 HydrophobicContact CE1-CD2 4.41Å; Y293-L295 HydrophobicContact CE1-CG 3.78Å; Y293-L295 VanDerWaalsContact OH-CD2 3.28Å; Y293-L295 WeakPolarHBondContact OH-CD2 3.24Å; Y293-S325 CarbonylContact C-O 3.6Å
294	S	45.2	Very low	42.2	Very low	44 Å²	44	57.4 Å²	57.4	31%	0.308	30%	0.304	S	S	.	.			trans	-154.6	126.9	175.5	-178.4	0	0	0	0	110.4	S325	S294-S325 WeakPolarHBondContact CA-O 3Å
295	L	43	Very low	42.5	Very low	17 Å²	17	62.1 Å²	62.1	9%	0.089	33%	0.329	C	S	.	.			trans	-82.1	138.9	168	-78.6	152.3	0	0	0	110.2	D231 Y293 L321 E322 S325	D231-L295 HydrophobicContact CB-CD2 3.84Å; Y293-L295 HydrophobicContact CE1-CD1 4.4Å; Y293-L295 HydrophobicContact CE1-CD2 4.41Å; Y293-L295 HydrophobicContact CE1-CG 3.78Å; Y293-L295 VanDerWaalsContact OH-CD2 3.28Å; Y293-L295 WeakPolarHBondContact OH-CD2 3.24Å; L295-L321 HydrophobicContact CD1-CB 3.83Å; L295-E322 HydrophobicContact CB-CG 4.25Å; L295-S325 WeakPolarHBondContact CB-OG 3.5Å; L295-S325 PolarHBondContact N-OG 3.14Å
296	P	43.4	Very low	42.8	Very low	55 Å²	55	58 Å²	58	36%	0.357	32%	0.318	S	S	.	.			trans	-77.4	134.6	173.6	27.6	-30.2	0	0	0	112.8	D231 K298 T299	D231-P296 WeakPolarHBondContact OD2-CG 3.44Å; P296-K298 PolarHBondContact O-N 3.24Å; P296-T299 PolarHBondContact O-OG1 3.41Å
297	L	39.4	Very low	42.9	Very low	86 Å²	86	65.9 Å²	65.9	45%	0.45	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	8.1	178.5	-68.7	168.7	0	0	0	116.2	M273 T299 E322	M273-L297 HydrophobicContact CE-CD2 4.41Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; L297-E322 HydrophobicContact CD2-CB 4.23Å; L297-E322 WeakPolarHBondContact CD2-OE2 3.4Å
298	K	44.7	Very low	42.7	Very low	109 Å²	109	72.9 Å²	72.9	47%	0.474	37%	0.37	S	S	.	.	H	α-helix	trans	-75.5	-17	-175.8	-71.9	-179	-179	170.9	0	112.5	P296 S302 D347	P296-K298 PolarHBondContact O-N 3.24Å; K298-S302 PolarHBondContact O-N 3.27Å; K298-D347 IonicContact NZ-OD1 2.71Å; K298-D347 PolarHBondContact NZ-OD1 2.7Å; K298-D347 IonicContact NZ-OD2 3.45Å; K298-D347 PolarHBondContact NZ-OD2 2.92Å
299	T	45.7	Very low	42.4	Very low	11 Å²	11	79 Å²	79	7%	0.067	40%	0.4	C	S	.	.	H	α-helix	trans	-69.8	-48.5	-168.4	-36.1	0	0	0	0	112.7	Q228 P296 L297 K301 S302 L303 V318 E322	Q228-T299 VanDerWaalsContact CD-CG2 3.47Å; Q228-T299 HydrophobicContact CG-CG2 4.05Å; Q228-T299 VanDerWaalsContact NE2-CG2 3.32Å; P296-T299 PolarHBondContact O-OG1 3.41Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; T299-K301 VanDerWaalsContact C-N 3.34Å; T299-K301 PolarHBondContact O-N 3.38Å; T299-S302 PolarHBondContact O-N 3.11Å; T299-L303 HydrophobicContact CG2-CD1 3.84Å; T299-L303 WeakPolarHBondContact O-CG 3.15Å; T299-L303 PolarHBondContact O-N 2.82Å; T299-V318 HydrophobicContact CG2-CG1 3.48Å; T299-V318 VanDerWaalsContact CG2-CG1 3.48Å; T299-V318 HydrophobicContact CG2-CG2 4.42Å; T299-E322 WeakPolarHBondContact CB-OE1 3.35Å; T299-E322 PolarHBondContact N-OE1 3.19Å; T299-E322 PolarHBondContact OG1-OE1 2.97Å
300	I	41.4	Very low	42.4	Very low	17 Å²	17	80.8 Å²	80.8	9%	0.087	41%	0.408	C	S	.	.	H	α-helix	trans	-60.4	-45.3	-176.6	-63.9	174.8	0	0	0	110.9	M273 S302 L303 L304 V315 V318 A319 E322	M273-I300 HydrophobicContact CE-CD1 3.44Å; M273-I300 VanDerWaalsContact CE-CD1 3.44Å; M273-I300 HydrophobicContact CG-CD1 4.09Å; M273-I300 HydrophobicContact SD-CD1 4.36Å; I300-S302 PolarHBondContact O-N 3.2Å; I300-L303 PolarHBondContact O-N 3.39Å; I300-L304 HydrophobicContact CG2-CD1 3.49Å; I300-L304 VanDerWaalsContact CG2-CD1 3.49Å; I300-L304 HydrophobicContact CG2-CG 3.92Å; I300-L304 WeakPolarHBondContact O-CB 3.49Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 2.98Å; I300-V315 HydrophobicContact CG2-CG1 4.31Å; I300-V318 HydrophobicContact CG1-CB 4.46Å; I300-V318 HydrophobicContact CG1-CG1 3.71Å; I300-A319 HydrophobicContact CD1-CB 3.74Å; I300-E322 VanDerWaalsContact CD1-OE2 3.24Å; I300-E322 WeakPolarHBondContact CD1-OE2 3.26Å
301	K	43.1	Very low	42.9	Very low	144 Å²	144	82.5 Å²	82.5	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-62.1	-44.8	-178.3	-169.8	178.3	178.3	-176.7	0	111.7	T299 L303 L304 D305	T299-K301 VanDerWaalsContact C-N 3.34Å; T299-K301 PolarHBondContact O-N 3.38Å; K301-L303 PolarHBondContact O-N 2.8Å; K301-L304 PolarHBondContact O-N 3.34Å; K301-D305 WeakPolarHBondContact O-CB 3.31Å; K301-D305 PolarHBondContact O-N 3.49Å
302	S	46.5	Very low	43.4	Very low	44 Å²	44	76.8 Å²	76.8	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178.5	-168.2	0	0	0	0	112.8	K298 T299 I300 T306	K298-S302 PolarHBondContact O-N 3.27Å; T299-S302 PolarHBondContact O-N 3.11Å; I300-S302 PolarHBondContact O-N 3.2Å; S302-T306 PolarHBondContact O-OG1 3.35Å
303	L	42.2	Very low	44.1	Very low	24 Å²	24	73.2 Å²	73.2	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-74.4	-32.5	177.9	-69.7	170.3	0	0	0	112.7	F191 T299 I300 K301 T306 L314 V318	F191-L303 HydrophobicContact CB-CD2 4.23Å; T299-L303 HydrophobicContact CG2-CD1 3.84Å; T299-L303 WeakPolarHBondContact O-CG 3.15Å; T299-L303 PolarHBondContact O-N 2.82Å; I300-L303 PolarHBondContact O-N 3.39Å; K301-L303 PolarHBondContact O-N 2.8Å; L303-T306 PolarHBondContact O-OG1 3.11Å; L303-L314 HydrophobicContact CD2-CD2 4.5Å; L303-V318 HydrophobicContact CD1-CB 4.35Å; L303-V318 HydrophobicContact CD1-CG1 4.26Å; L303-V318 HydrophobicContact CD1-CG2 3.65Å
304	L	42.8	Very low	44.7	Very low	38 Å²	38	73.3 Å²	73.3	20%	0.199	37%	0.369	C	S	.	.	H	α-helix	trans	-70.8	-36.7	173.7	-72.2	176.2	0	0	0	111.8	E270 I300 K301 T306 I310 V315	E270-L304 HydrophobicContact CG-CD1 4.32Å; I300-L304 HydrophobicContact CG2-CD1 3.49Å; I300-L304 VanDerWaalsContact CG2-CD1 3.49Å; I300-L304 HydrophobicContact CG2-CG 3.92Å; I300-L304 WeakPolarHBondContact O-CB 3.49Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 2.98Å; K301-L304 PolarHBondContact O-N 3.34Å; L304-T306 VanDerWaalsContact C-N 3.26Å; L304-T306 PolarHBondContact O-N 2.88Å; L304-I310 HydrophobicContact CD2-CG2 4.41Å; L304-V315 HydrophobicContact CD2-CG1 4.39Å; L304-V315 HydrophobicContact CD2-CG2 3.82Å
305	D	41.9	Very low	45.2	Very low	116 Å²	116	71.5 Å²	71.5	62%	0.62	36%	0.356	S	S	*	.	H	α-helix	trans	-67.3	-25	-178.6	-75.9	-19.4	0	0	0	112.5	K301 R307	K301-D305 WeakPolarHBondContact O-CB 3.31Å; K301-D305 PolarHBondContact O-N 3.49Å; D305-R307 VanDerWaalsContact C-N 3.34Å; D305-R307 PolarHBondContact O-N 2.87Å
306	T	42.6	Very low	45.8	Very low	82 Å²	82	70.7 Å²	70.7	50%	0.503	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.2	-176.1	37	0	0	0	0	115.5	S302 L303 L304 E308	S302-T306 PolarHBondContact O-OG1 3.35Å; L303-T306 PolarHBondContact O-OG1 3.11Å; L304-T306 VanDerWaalsContact C-N 3.26Å; L304-T306 PolarHBondContact O-N 2.88Å; T306-E308 PolarHBondContact O-N 3.18Å
307	R	41.1	Very low	46.4	Very low	224 Å²	224	68.2 Å²	68.2	85%	0.845	34%	0.335	S	S	*	.			trans	51.7	-16.3	179	-70	-169.1	178.3	-166.6	-0.6	117.9	D305 L309	D305-R307 VanDerWaalsContact C-N 3.34Å; D305-R307 PolarHBondContact O-N 2.87Å; R307-L309 PolarHBondContact O-N 2.9Å
308	E	37.2	Very low	47.2	Very low	168 Å²	168	64.3 Å²	64.3	79%	0.785	32%	0.315	S	S	*	.	S	Bend	trans	-84.7	111.2	177.8	-71.3	175.5	173.8	0	0	107.8	T306	T306-E308 PolarHBondContact O-N 3.18Å
309	L	35.6	Very low	47.7	Very low	151 Å²	151	59.1 Å²	59.1	79%	0.791	29%	0.293	S	S	*	.			trans	62.4	63	174	-63.4	156.6	0	0	0	114.7	R307 S311	R307-L309 PolarHBondContact O-N 2.9Å; L309-S311 PolarHBondContact O-N 3.37Å
310	I	44.4	Very low	48.2	Very low	74 Å²	74	58.6 Å²	58.6	38%	0.379	29%	0.289	S	S	.	.			trans	-71.4	67	159.3	-49.1	175	0	0	0	108.1	P266 L304 N312 V315	P266-I310 HydrophobicContact CB-CG2 4.3Å; L304-I310 HydrophobicContact CD2-CG2 4.41Å; I310-N312 PolarHBondContact O-N 2.94Å; I310-N312 VanDerWaalsContact O-N 3.07Å; I310-V315 HydrophobicContact CG2-CG2 3.89Å
311	S	55.2	Low	48.9	Very low	38 Å²	38	58 Å²	58	27%	0.266	29%	0.286	S	S	.	.			trans	-60.5	115.1	156.8	-179.2	0	0	0	0	105.2	L309 R313 L314 V315	L309-S311 PolarHBondContact O-N 3.37Å; S311-R313 PolarHBondContact O-N 3.24Å; S311-R313 VanDerWaalsContact OG-CB 3.26Å; S311-R313 WeakPolarHBondContact OG-CB 3.2Å; S311-R313 WeakPolarHBondContact OG-CG 3.49Å; S311-L314 WeakPolarHBondContact O-CB 3.49Å; S311-L314 PolarHBondContact O-N 3.19Å; S311-V315 PolarHBondContact O-N 2.84Å
312	N	54.5	Low	49.4	Very low	38 Å²	38	51.2 Å²	51.2	20%	0.203	26%	0.257	C	S	.	.	H	α-helix	trans	-46.6	-27.9	172.1	-67.4	-16.8	0	0	0	111.1	P266 I310 A316	P266-N312 WeakPolarHBondContact CB-OD1 3.13Å; P266-N312 WeakPolarHBondContact CD-ND2 3.11Å; P266-N312 WeakPolarHBondContact CD-OD1 3.43Å; P266-N312 WeakPolarHBondContact CG-OD1 3.15Å; I310-N312 PolarHBondContact O-N 2.94Å; I310-N312 VanDerWaalsContact O-N 3.07Å; N312-A316 WeakPolarHBondContact O-CB 3.14Å; N312-A316 PolarHBondContact O-N 2.65Å
313	R	55.9	Low	49.7	Very low	33 Å²	33	49.2 Å²	49.2	13%	0.125	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-40.3	176.1	-37.6	-170.7	-179.9	162.6	1.7	113.9	L82 I83 N85 V88 L262 S311 L317	L82-R313 WeakPolarHBondContact O-CD 3.35Å; L82-R313 PolarHBondContact O-NH1 3.29Å; I83-R313 HydrophobicContact CG1-CB 4.22Å; N85-R313 PolarHBondContact O-NH1 3.45Å; V88-R313 VanDerWaalsContact CG2-NH2 3.35Å; L262-R313 HydrophobicContact CD2-CB 3.57Å; L262-R313 HydrophobicContact CD2-CG 3.42Å; L262-R313 VanDerWaalsContact CD2-CG 3.42Å; S311-R313 PolarHBondContact O-N 3.24Å; S311-R313 VanDerWaalsContact OG-CB 3.26Å; S311-R313 WeakPolarHBondContact OG-CB 3.2Å; S311-R313 WeakPolarHBondContact OG-CG 3.49Å; R313-L317 WeakPolarHBondContact O-CB 3.34Å; R313-L317 PolarHBondContact O-N 2.8Å
314	L	53.7	Low	50	Low	26 Å²	26	48.1 Å²	48.1	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-49	176.2	-169.2	67.6	0	0	0	111.5	I83 F191 L303 S311 A316 L317 V318	I83-L314 HydrophobicContact CD1-CD1 4.3Å; F191-L314 HydrophobicContact CB-CD1 4.16Å; F191-L314 HydrophobicContact CD1-CD1 3.49Å; F191-L314 VanDerWaalsContact CD1-CD1 3.49Å; F191-L314 HydrophobicContact CD1-CG 4.45Å; F191-L314 HydrophobicContact CE1-CD1 4.34Å; F191-L314 HydrophobicContact CG-CD1 4.27Å; L303-L314 HydrophobicContact CD2-CD2 4.5Å; S311-L314 WeakPolarHBondContact O-CB 3.49Å; S311-L314 PolarHBondContact O-N 3.19Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 3.35Å; L314-L317 PolarHBondContact O-N 3.33Å; L314-V318 WeakPolarHBondContact O-CG2 3.37Å; L314-V318 PolarHBondContact O-N 3Å
315	V	54.6	Low	50.3	Low	7 Å²	7	46.3 Å²	46.3	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-43.3	178.7	-179.6	0	0	0	0	110.3	V269 I300 L304 I310 S311 A319	V269-V315 HydrophobicContact CG1-CG1 3.79Å; I300-V315 HydrophobicContact CG2-CG1 4.31Å; L304-V315 HydrophobicContact CD2-CG1 4.39Å; L304-V315 HydrophobicContact CD2-CG2 3.82Å; I310-V315 HydrophobicContact CG2-CG2 3.89Å; S311-V315 PolarHBondContact O-N 2.84Å; V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 3.41Å
316	A	56.8	Low	50.6	Low	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-42.6	175.7	0	0	0	0	0	112.7	L258 L261 L262 N312 L314 G320	L258-A316 HydrophobicContact CD1-CB 3.79Å; L261-A316 HydrophobicContact CB-CB 3.46Å; L261-A316 VanDerWaalsContact CB-CB 3.46Å; L261-A316 WeakPolarHBondContact CD1-O 3.36Å; L262-A316 HydrophobicContact CD2-CB 4.23Å; L262-A316 HydrophobicContact CG-CB 4.05Å; N312-A316 WeakPolarHBondContact O-CB 3.14Å; N312-A316 PolarHBondContact O-N 2.65Å; L314-A316 VanDerWaalsContact C-N 3.32Å; L314-A316 PolarHBondContact O-N 3.35Å; A316-G320 PolarHBondContact O-N 3.32Å
317	L	56.3	Low	50.5	Low	2 Å²	2	42 Å²	42	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-65.2	-50	178	-179.5	67.1	0	0	0	112.1	F75 I83 F191 L195 L258 R313 L314 A319 G320 L321	F75-L317 HydrophobicContact CZ-CD1 4.33Å; I83-L317 HydrophobicContact CD1-CB 4.14Å; I83-L317 HydrophobicContact CD1-CD2 3.31Å; I83-L317 HydrophobicContact CD1-CG 4.31Å; F191-L317 HydrophobicContact CE1-CD2 4.28Å; L195-L317 HydrophobicContact CD1-CD2 3.42Å; L195-L317 VanDerWaalsContact CD1-CD2 3.42Å; L258-L317 HydrophobicContact CD1-CB 3.82Å; L258-L317 HydrophobicContact CD1-CD1 4.31Å; L258-L317 VanDerWaalsContact CD1-N 3.34Å; L258-L317 HydrophobicContact CD2-CD1 3.88Å; R313-L317 WeakPolarHBondContact O-CB 3.34Å; R313-L317 PolarHBondContact O-N 2.8Å; L314-L317 PolarHBondContact O-N 3.33Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.12Å; L317-G320 PolarHBondContact O-N 3.4Å; L317-L321 HydrophobicContact CD1-CD1 4.24Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 3.99Å; L317-L321 WeakPolarHBondContact O-CG 3.5Å; L317-L321 PolarHBondContact O-N 3.04Å
318	V	54.3	Low	50.3	Low	4 Å²	4	36.8 Å²	36.8	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-45.7	-179.4	171.3	0	0	0	0	110.5	F191 T299 I300 L303 L314 G320 L321 E322	F191-V318 HydrophobicContact CD1-CG2 4Å; F191-V318 HydrophobicContact CE1-CG2 3.5Å; F191-V318 VanDerWaalsContact CE1-CG2 3.5Å; F191-V318 HydrophobicContact CE2-CG2 4.44Å; F191-V318 HydrophobicContact CZ-CG2 3.77Å; T299-V318 HydrophobicContact CG2-CG1 3.48Å; T299-V318 VanDerWaalsContact CG2-CG1 3.48Å; T299-V318 HydrophobicContact CG2-CG2 4.42Å; I300-V318 HydrophobicContact CG1-CB 4.46Å; I300-V318 HydrophobicContact CG1-CG1 3.71Å; L303-V318 HydrophobicContact CD1-CB 4.35Å; L303-V318 HydrophobicContact CD1-CG1 4.26Å; L303-V318 HydrophobicContact CD1-CG2 3.65Å; L314-V318 WeakPolarHBondContact O-CG2 3.37Å; L314-V318 PolarHBondContact O-N 3Å; V318-G320 PolarHBondContact O-N 2.98Å; V318-L321 PolarHBondContact O-N 2.92Å; V318-E322 WeakPolarHBondContact O-CG 3.23Å; V318-E322 PolarHBondContact O-N 2.8Å
319	A	55.1	Low	50.2	Low	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.3	-50.4	172.2	0	0	0	0	0	111.4	L261 M273 I300 V315 L317 L321 E322 I323	L261-A319 HydrophobicContact CD1-CB 3.71Å; M273-A319 HydrophobicContact CE-CB 3.91Å; M273-A319 HydrophobicContact CG-CB 4.11Å; M273-A319 HydrophobicContact SD-CB 3.57Å; M273-A319 VanDerWaalsContact SD-CB 3.57Å; I300-A319 HydrophobicContact CD1-CB 3.74Å; V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 3.41Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.12Å; A319-L321 VanDerWaalsContact C-N 3.31Å; A319-L321 PolarHBondContact O-N 3.14Å; A319-E322 PolarHBondContact O-N 3.21Å; A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 3.28Å
320	G	56.7	Low	50	Low	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-43.5	-179.3	0	0	0	0	0	113.8	L257 A316 L317 V318 I323 L324	L257-G320 VanDerWaalsContact CD2-CA 3.44Å; L257-G320 WeakPolarHBondContact CD2-O 3.41Å; A316-G320 PolarHBondContact O-N 3.32Å; L317-G320 PolarHBondContact O-N 3.4Å; V318-G320 PolarHBondContact O-N 2.98Å; G320-I323 PolarHBondContact O-N 3.44Å; G320-L324 PolarHBondContact O-N 3.49Å; G320-L324 VanDerWaalsContact O-N 3.15Å
321	L	56.2	Low	49.2	Very low	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-47.2	176.9	-74.1	161.5	0	0	0	112.2	F232 F235 L254 L295 L317 V318 A319 I323 L324 S325	F232-L321 HydrophobicContact CD2-CD1 4.03Å; F232-L321 HydrophobicContact CD2-CD2 4.44Å; F232-L321 HydrophobicContact CE2-CD1 3.53Å; F232-L321 HydrophobicContact CE2-CD2 3.66Å; F232-L321 HydrophobicContact CE2-CG 4.24Å; F232-L321 HydrophobicContact CZ-CD2 4.48Å; F235-L321 HydrophobicContact CE1-CD2 4.07Å; F235-L321 HydrophobicContact CZ-CD2 4.33Å; L254-L321 HydrophobicContact CD1-CD2 4.18Å; L254-L321 HydrophobicContact CD1-CG 4.09Å; L254-L321 HydrophobicContact CD2-CD2 3.42Å; L254-L321 VanDerWaalsContact CD2-CD2 3.42Å; L254-L321 HydrophobicContact CD2-CG 4.11Å; L254-L321 HydrophobicContact CG-CD2 4.47Å; L295-L321 HydrophobicContact CD1-CB 3.83Å; L317-L321 HydrophobicContact CD1-CD1 4.24Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 3.99Å; L317-L321 WeakPolarHBondContact O-CG 3.5Å; L317-L321 PolarHBondContact O-N 3.04Å; V318-L321 PolarHBondContact O-N 2.92Å; A319-L321 VanDerWaalsContact C-N 3.31Å; A319-L321 PolarHBondContact O-N 3.14Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 PolarHBondContact O-N 3.26Å; L321-L324 PolarHBondContact O-N 2.83Å; L321-S325 VanDerWaalsContact O-CB 3.27Å; L321-S325 WeakPolarHBondContact O-CB 3.35Å; L321-S325 PolarHBondContact O-N 3.36Å; L321-S325 VanDerWaalsContact O-N 3.09Å; L321-S325 PolarHBondContact O-OG 2.81Å
322	E	55	Low	47.9	Very low	3 Å²	3	36.7 Å²	36.7	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-43.8	178.3	-74.7	-179.9	171.8	0	0	111.3	L295 L297 T299 I300 V318 A319 S325	L295-E322 HydrophobicContact CB-CG 4.25Å; L297-E322 HydrophobicContact CD2-CB 4.23Å; L297-E322 WeakPolarHBondContact CD2-OE2 3.4Å; T299-E322 WeakPolarHBondContact CB-OE1 3.35Å; T299-E322 PolarHBondContact N-OE1 3.19Å; T299-E322 PolarHBondContact OG1-OE1 2.97Å; I300-E322 VanDerWaalsContact CD1-OE2 3.24Å; I300-E322 WeakPolarHBondContact CD1-OE2 3.26Å; V318-E322 WeakPolarHBondContact O-CG 3.23Å; V318-E322 PolarHBondContact O-N 2.8Å; A319-E322 PolarHBondContact O-N 3.21Å; E322-S325 PolarHBondContact O-OG 3.03Å
323	I	51.1	Low	46.7	Very low	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-51.6	179.1	-68.9	-174.5	0	0	0	112	L257 M273 F276 F280 A319 G320 L321 S325	L257-I323 HydrophobicContact CD1-CD1 4.09Å; L257-I323 HydrophobicContact CD2-CB 3.64Å; L257-I323 HydrophobicContact CD2-CD1 4.01Å; L257-I323 HydrophobicContact CD2-CG1 4.34Å; L257-I323 HydrophobicContact CD2-CG2 3.46Å; L257-I323 VanDerWaalsContact CD2-CG2 3.46Å; M273-I323 HydrophobicContact CE-CD1 4.36Å; M273-I323 HydrophobicContact CE-CG1 4.14Å; M273-I323 HydrophobicContact SD-CD1 3.72Å; M273-I323 HydrophobicContact SD-CG1 4.16Å; F276-I323 HydrophobicContact CD2-CD1 3.96Å; F276-I323 HydrophobicContact CD2-CG1 3.94Å; F276-I323 HydrophobicContact CE2-CB 3.84Å; F276-I323 HydrophobicContact CE2-CD1 3.64Å; F276-I323 HydrophobicContact CE2-CG1 3.26Å; F276-I323 HydrophobicContact CE2-CG2 3.71Å; F276-I323 HydrophobicContact CZ-CB 4.31Å; F276-I323 HydrophobicContact CZ-CG1 4.07Å; F276-I323 HydrophobicContact CZ-CG2 4.16Å; F280-I323 HydrophobicContact CD2-CG2 3.87Å; F280-I323 HydrophobicContact CE2-CG2 4.33Å; A319-I323 WeakPolarHBondContact O-CB 3.39Å; A319-I323 WeakPolarHBondContact O-CG1 3.38Å; A319-I323 PolarHBondContact O-N 3.28Å; G320-I323 PolarHBondContact O-N 3.44Å; L321-I323 VanDerWaalsContact C-N 3.3Å; L321-I323 PolarHBondContact O-N 3.26Å; I323-S325 VanDerWaalsContact C-N 3.28Å; I323-S325 PolarHBondContact O-N 3.26Å
324	L	50	Low	45.2	Very low	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-77.6	-17.3	-173.6	-69.6	175.1	0	0	0	113.6	F250 M253 L254 L257 V283 G320 L321 Q326	F250-L324 HydrophobicContact CE2-CB 3.57Å; F250-L324 HydrophobicContact CE2-CD1 4.28Å; F250-L324 HydrophobicContact CZ-CB 3.8Å; F250-L324 HydrophobicContact CZ-CD1 4.12Å; M253-L324 HydrophobicContact CB-CD1 3.99Å; M253-L324 HydrophobicContact CB-CD2 4.17Å; M253-L324 HydrophobicContact CE-CD2 4.22Å; L254-L324 HydrophobicContact CB-CD1 3.52Å; L254-L324 HydrophobicContact CD1-CD1 3.88Å; L254-L324 HydrophobicContact CG-CD1 4.26Å; L254-L324 VanDerWaalsContact N-CD1 3.3Å; L257-L324 HydrophobicContact CD2-CD1 4.28Å; L257-L324 HydrophobicContact CD2-CD2 4.48Å; L257-L324 HydrophobicContact CD2-CG 3.93Å; V283-L324 HydrophobicContact CG1-CD2 4.01Å; G320-L324 PolarHBondContact O-N 3.49Å; G320-L324 VanDerWaalsContact O-N 3.15Å; L321-L324 PolarHBondContact O-N 2.83Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 2.99Å
325	S	48.6	Very low	43.9	Very low	1 Å²	1	47.5 Å²	47.5	1%	0.007	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.1	178.8	72.1	0	0	0	0	114	Y293 S294 L295 L321 E322 I323 S327	Y293-S325 CarbonylContact C-O 3.6Å; S294-S325 WeakPolarHBondContact CA-O 3Å; L295-S325 WeakPolarHBondContact CB-OG 3.5Å; L295-S325 PolarHBondContact N-OG 3.14Å; L321-S325 VanDerWaalsContact O-CB 3.27Å; L321-S325 WeakPolarHBondContact O-CB 3.35Å; L321-S325 PolarHBondContact O-N 3.36Å; L321-S325 VanDerWaalsContact O-N 3.09Å; L321-S325 PolarHBondContact O-OG 2.81Å; E322-S325 PolarHBondContact O-OG 3.03Å; I323-S325 VanDerWaalsContact C-N 3.28Å; I323-S325 PolarHBondContact O-N 3.26Å; S325-S327 PolarHBondContact O-N 3.02Å
326	Q	48.4	Very low	42.5	Very low	40 Å²	40	51.4 Å²	51.4	19%	0.187	28%	0.276	C	S	.	.			trans	-72	132.1	-174.9	-63.5	-171.4	-1.2	0	0	113.1	F280 T289 L324 D328	F280-Q326 HydrophobicContact CZ-CB 4.47Å; T289-Q326 VanDerWaalsContact CG2-O 3.31Å; T289-Q326 WeakPolarHBondContact CG2-O 2.88Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 2.99Å; Q326-D328 VanDerWaalsContact C-N 3.29Å; Q326-D328 PolarHBondContact O-N 3.22Å
327	S	39.5	Very low	41	Very low	66 Å²	66	60 Å²	60	46%	0.462	31%	0.313	S	S	.	.	S	Bend	trans	-66.1	-25.8	179.4	56.4	0	0	0	0	114.2	S325 N329	S325-S327 PolarHBondContact O-N 3.02Å; S327-N329 VanDerWaalsContact C-N 3.29Å; S327-N329 PolarHBondContact O-N 2.87Å; S327-N329 VanDerWaalsContact O-N 3.13Å
328	D	38	Very low	39.5	Very low	116 Å²	116	70.9 Å²	70.9	62%	0.62	35%	0.354	S	S	*	.			trans	-87.1	33.8	-168.7	-79.7	-1.4	0	0	0	114.8	Q326 S330	Q326-D328 VanDerWaalsContact C-N 3.29Å; Q326-D328 PolarHBondContact O-N 3.22Å; D328-S330 PolarHBondContact O-N 2.71Å
329	N	35.4	Very low	38.1	Very low	29 Å²	29	72 Å²	72	16%	0.155	36%	0.362	C	S	.	.			trans	-87.4	14.9	167.9	-66.9	-42.7	0	0	0	113.3	F280 T284 T289 S327	F280-N329 WeakPolarHBondContact CE1-OD1 3.04Å; F280-N329 WeakPolarHBondContact CZ-OD1 3.43Å; T284-N329 WeakPolarHBondContact CB-OD1 3.23Å; T289-N329 HydrophobicContact CG2-CB 3.44Å; T289-N329 VanDerWaalsContact CG2-CB 3.44Å; T289-N329 WeakPolarHBondContact CG2-ND2 3.37Å; S327-N329 VanDerWaalsContact C-N 3.29Å; S327-N329 PolarHBondContact O-N 2.87Å; S327-N329 VanDerWaalsContact O-N 3.13Å
330	S	30.3	Very low	36.6	Very low	78 Å²	78	84.4 Å²	84.4	55%	0.545	41%	0.409	S	S	.	.	S	Bend	trans	-63.1	146	165.8	64.5	0	0	0	0	108.9	D328 D332	D328-S330 PolarHBondContact O-N 2.71Å; S330-D332 PolarHBondContact O-N 3.04Å
331	H	28.1	Very low	35.1	Very low	193 Å²	193	93.1 Å²	93.1	89%	0.894	45%	0.447	S	S	*	.	S	Bend	trans	-54	-4.4	-169.4	-117.8	-49.4	0	0	0	116.6	M333	H331-M333 PolarHBondContact O-N 3.04Å
332	D	27.1	Very low	33.7	Very low	128 Å²	128	99.8 Å²	99.8	68%	0.684	47%	0.472	S	S	*	.			trans	-94.8	46.4	-173.9	-83.4	-36.8	0	0	0	114.7	S330 N334	S330-D332 PolarHBondContact O-N 3.04Å; D332-N334 PolarHBondContact O-N 3.09Å
333	M	29.6	Very low	32.3	Very low	68 Å²	68	104 Å²	104	34%	0.335	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	29.1	171.2	-89.5	-81.1	-78.5	0	0	114.7	F280 V281 H331 L336	F280-M333 HydrophobicContact CD1-CE 4.4Å; F280-M333 HydrophobicContact CE1-CE 4.49Å; V281-M333 HydrophobicContact CG2-CE 4.15Å; H331-M333 PolarHBondContact O-N 3.04Å; M333-L336 HydrophobicContact CE-CB 4.4Å; M333-L336 HydrophobicContact CE-CD1 3.81Å; M333-L336 HydrophobicContact SD-CB 4.02Å; M333-L336 HydrophobicContact SD-CD1 3.41Å; M333-L336 WeakPolarHBondContact SD-CD1 3.32Å; M333-L336 HydrophobicContact SD-CG 3.78Å
334	N	25.1	Very low	31.1	Very low	123 Å²	123	113.5 Å²	113.5	66%	0.658	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-12	166.9	-91.7	-31.6	0	0	0	113.3	D332	D332-N334 PolarHBondContact O-N 3.09Å
335	L	25.6	Very low	30.1	Very low	134 Å²	134	119.4 Å²	119.4	70%	0.702	57%	0.57	S	S	*	*	S	Bend	trans	-87.7	-29.7	-179.8	-81.4	162	0	0	0	114.6	K337 R338	L335-K337 PolarHBondContact O-N 3.34Å; L335-R338 PolarHBondContact O-N 3.36Å
336	L	25.2	Very low	29.3	Very low	88 Å²	88	123.7 Å²	123.7	46%	0.461	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.8	-19.2	173	-73.2	-171.5	0	0	0	113.3	M333 R338	M333-L336 HydrophobicContact CE-CB 4.4Å; M333-L336 HydrophobicContact CE-CD1 3.81Å; M333-L336 HydrophobicContact SD-CB 4.02Å; M333-L336 HydrophobicContact SD-CD1 3.41Å; M333-L336 WeakPolarHBondContact SD-CD1 3.32Å; M333-L336 HydrophobicContact SD-CG 3.78Å; L336-R338 PolarHBondContact O-N 3.02Å
337	K	25.3	Very low	28.5	Very low	182 Å²	182	125.5 Å²	125.5	79%	0.791	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-19.2	169.9	-89.6	-174.3	177.6	176.4	0	113.7	L335	L335-K337 PolarHBondContact O-N 3.34Å
338	R	25.5	Very low	28	Very low	230 Å²	230	126.6 Å²	126.6	87%	0.868	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	1.8	-176.7	-79.1	-169.6	172.2	-176.6	-0.4	115.6	L335 L336	L335-R338 PolarHBondContact O-N 3.36Å; L336-R338 PolarHBondContact O-N 3.02Å
339	S	24.7	Very low	27.7	Very low	26 Å²	26	124.7 Å²	124.7	18%	0.182	59%	0.59	C	S	.	*			trans	-145.3	79.9	-179.6	82.3	0	0	0	0	114	K341 Y342	S339-K341 PolarHBondContact O-N 3.24Å; S339-Y342 VanDerWaalsContact CB-CE2 3.46Å; S339-Y342 PolarHBondContact O-N 3.36Å; S339-Y342 WeakPolarHBondContact OG-CB 3.05Å; S339-Y342 WeakPolarHBondContact OG-CD2 3.21Å
340	R	23.1	Very low	27.6	Very low	262 Å²	262	129.7 Å²	129.7	99%	0.989	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	0.7	161.3	-75.6	-176.8	174.5	178.1	-2	114.5
341	K	24.8	Very low	27.7	Very low	183 Å²	183	128.9 Å²	128.9	80%	0.796	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-2.9	179.9	-98	-174.2	174	-177.1	0	115.6	S339	S339-K341 PolarHBondContact O-N 3.24Å
342	Y	27.2	Very low	27.9	Very low	143 Å²	143	121.2 Å²	121.2	56%	0.561	57%	0.568	S	S	*	*			trans	-104.9	4.8	-169.6	-75.4	-113	0	0	0	115.7	S339 Y344	S339-Y342 VanDerWaalsContact CB-CE2 3.46Å; S339-Y342 PolarHBondContact O-N 3.36Å; S339-Y342 WeakPolarHBondContact OG-CB 3.05Å; S339-Y342 WeakPolarHBondContact OG-CD2 3.21Å; Y342-Y344 PolarHBondContact O-N 3.02Å
343	C	25.5	Very low	28.3	Very low	92 Å²	92	118.5 Å²	118.5	62%	0.622	55%	0.552	S	S	*	*	S	Bend	trans	-72.1	-4.5	169.4	-64	0	0	0	0	113.4
344	Y	26.6	Very low	28.9	Very low	200 Å²	200	121.9 Å²	121.9	78%	0.784	57%	0.565	S	S	*	*	S	Bend	trans	-100.5	96	163.6	-61	-82.9	0	0	0	106.9	Y342 D346	Y342-Y344 PolarHBondContact O-N 3.02Å; Y344-D346 VanDerWaalsContact C-N 3.29Å; Y344-D346 PolarHBondContact O-N 3.37Å
345	L	29.2	Very low	29.6	Very low	126 Å²	126	116.6 Å²	116.6	66%	0.66	54%	0.538	S	S	*	.			trans	-52	105.7	155.5	-88.5	159.2	0	0	0	106.1	D347	L345-D347 PolarHBondContact O-N 3Å
346	D	30.5	Very low	30.4	Very low	91 Å²	91	111.4 Å²	111.4	49%	0.487	51%	0.511	S	S	.	.			trans	-56.4	115	-178.4	-160.1	-9.4	0	0	0	107.2	Y344 L348 K349	Y344-D346 VanDerWaalsContact C-N 3.29Å; Y344-D346 PolarHBondContact O-N 3.37Å; D346-L348 PolarHBondContact O-N 3.34Å; D346-K349 PolarHBondContact O-N 3.05Å
347	D	32.2	Very low	31.2	Very low	78 Å²	78	115.6 Å²	115.6	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-46.7	-32	-170.6	-86	-30.4	0	0	0	111.8	K298 L345 H351	K298-D347 IonicContact NZ-OD1 2.71Å; K298-D347 PolarHBondContact NZ-OD1 2.7Å; K298-D347 IonicContact NZ-OD2 3.45Å; K298-D347 PolarHBondContact NZ-OD2 2.92Å; L345-D347 PolarHBondContact O-N 3Å; D347-H351 PolarHBondContact O-CD2 3.34Å; D347-H351 PolarHBondContact O-N 3.37Å
348	L	28.7	Very low	32.1	Very low	89 Å²	89	111.4 Å²	111.4	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-38	177.3	-77.1	158.1	0	0	0	114.6	D346 G352	D346-L348 PolarHBondContact O-N 3.34Å; L348-G352 PolarHBondContact O-N 3.34Å; L348-G352 VanDerWaalsContact O-N 3.12Å
349	K	31.7	Very low	32.9	Very low	76 Å²	76	100.8 Å²	100.8	33%	0.33	47%	0.468	S	S	.	.	H	α-helix	trans	-64.4	-45.5	-179.9	-80.2	-170.5	175.2	-170.9	0	111.1	D346 M353 L403	D346-K349 PolarHBondContact O-N 3.05Å; K349-M353 WeakPolarHBondContact O-CG 3.38Å; K349-M353 PolarHBondContact O-N 3.04Å; K349-L403 HydrophobicContact CD-CD2 4.09Å; K349-L403 HydrophobicContact CG-CD2 3.37Å
350	Y	33.1	Very low	33.9	Very low	133 Å²	133	101.2 Å²	101.2	52%	0.522	47%	0.466	S	S	.	.	H	α-helix	trans	-72.9	-39.4	-177	-165.8	-95.5	0	0	0	112.5	G352 M353 K354	Y350-G352 VanDerWaalsContact C-N 3.34Å; Y350-G352 PolarHBondContact O-N 2.66Å; Y350-M353 HydrophobicContact CD2-CE 3.49Å; Y350-M353 VanDerWaalsContact CD2-CE 3.49Å; Y350-M353 HydrophobicContact CE2-CE 4.02Å; Y350-M353 HydrophobicContact CG-CE 4.24Å; Y350-M353 PolarHBondContact O-N 2.72Å; Y350-K354 PolarHBondContact O-N 3.08Å
351	H	32.3	Very low	34.9	Very low	62 Å²	62	93.7 Å²	93.7	29%	0.287	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-38.3	175.3	-71.1	-49.4	0	0	0	112.6	D347 M353 K354 A355 I446	D347-H351 PolarHBondContact O-CD2 3.34Å; D347-H351 PolarHBondContact O-N 3.37Å; H351-M353 VanDerWaalsContact C-N 3.29Å; H351-M353 PolarHBondContact O-N 3.48Å; H351-K354 PolarHBondContact O-N 3.36Å; H351-A355 PolarHBondContact O-N 2.79Å; H351-I446 HydrophobicContact CB-CG2 4.13Å; H351-I446 WeakPolarHBondContact O-CG2 3.2Å
352	G	32.9	Very low	35.8	Very low	31 Å²	31	86.9 Å²	86.9	32%	0.32	42%	0.42	S	S	.	.	H	α-helix	trans	-57.4	-38.7	174.1	0	0	0	0	0	113.5	L348 Y350 A355 L356	L348-G352 PolarHBondContact O-N 3.34Å; L348-G352 VanDerWaalsContact O-N 3.12Å; Y350-G352 VanDerWaalsContact C-N 3.34Å; Y350-G352 PolarHBondContact O-N 2.66Å; G352-A355 PolarHBondContact O-N 2.82Å; G352-L356 PolarHBondContact O-N 3.5Å
353	M	36.1	Very low	36.5	Very low	71 Å²	71	80.1 Å²	80.1	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-68.3	-45.5	179.9	-64.5	-166.8	-63.6	0	0	112.9	K349 Y350 H351 A355 L356 R357	K349-M353 WeakPolarHBondContact O-CG 3.38Å; K349-M353 PolarHBondContact O-N 3.04Å; Y350-M353 HydrophobicContact CD2-CE 3.49Å; Y350-M353 VanDerWaalsContact CD2-CE 3.49Å; Y350-M353 HydrophobicContact CE2-CE 4.02Å; Y350-M353 HydrophobicContact CG-CE 4.24Å; Y350-M353 PolarHBondContact O-N 2.72Å; H351-M353 VanDerWaalsContact C-N 3.29Å; H351-M353 PolarHBondContact O-N 3.48Å; M353-A355 PolarHBondContact O-N 2.89Å; M353-L356 PolarHBondContact O-N 3.21Å; M353-R357 PolarHBondContact O-N 3.31Å; M353-R357 VanDerWaalsContact O-N 3.12Å
354	K	41.2	Very low	37.4	Very low	140 Å²	140	80.3 Å²	80.3	61%	0.609	40%	0.396	S	S	*	.	H	α-helix	trans	-59.2	-39.3	177.1	-173	172.2	-177.4	171.8	0	110.9	Y350 H351 L358	Y350-K354 PolarHBondContact O-N 3.08Å; H351-K354 PolarHBondContact O-N 3.36Å; K354-L358 HydrophobicContact CG-CD1 4.21Å; K354-L358 VanDerWaalsContact O-CG 3.26Å; K354-L358 WeakPolarHBondContact O-CG 3.43Å; K354-L358 PolarHBondContact O-N 2.95Å
355	A	40.3	Very low	38.1	Very low	12 Å²	12	75 Å²	75	10%	0.099	38%	0.384	C	S	.	.	H	α-helix	trans	-76	-35.1	179.8	0	0	0	0	0	114.7	H351 G352 M353 R357 L358 A359 I446	H351-A355 PolarHBondContact O-N 2.79Å; G352-A355 PolarHBondContact O-N 2.82Å; M353-A355 PolarHBondContact O-N 2.89Å; A355-R357 VanDerWaalsContact C-N 3.3Å; A355-R357 PolarHBondContact O-N 3.45Å; A355-L358 PolarHBondContact O-N 3.3Å; A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.48Å; A355-I446 HydrophobicContact CB-CB 3.81Å; A355-I446 HydrophobicContact CB-CD1 3.31Å; A355-I446 HydrophobicContact CB-CG1 3.29Å; A355-I446 HydrophobicContact CB-CG2 3.35Å
356	L	41.8	Very low	38.9	Very low	24 Å²	24	71.7 Å²	71.7	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-45	172.3	-169.9	71.3	0	0	0	110.1	G352 M353 L358 A359 F360 F374 Y418 V421	G352-L356 PolarHBondContact O-N 3.5Å; M353-L356 PolarHBondContact O-N 3.21Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.04Å; L356-A359 PolarHBondContact O-N 3.42Å; L356-A359 VanDerWaalsContact O-N 3.14Å; L356-F360 HydrophobicContact CD1-CD2 4.23Å; L356-F360 HydrophobicContact CD1-CE2 3.96Å; L356-F360 HydrophobicContact CD2-CE2 4.35Å; L356-F360 HydrophobicContact CG-CD2 3.98Å; L356-F360 HydrophobicContact CG-CE2 3.93Å; L356-F360 WeakPolarHBondContact O-CD2 3.21Å; L356-F360 PolarHBondContact O-N 3.15Å; L356-F374 HydrophobicContact CD1-CZ 4.43Å; L356-Y418 HydrophobicContact CD2-CD1 3.69Å; L356-Y418 HydrophobicContact CD2-CE1 3.21Å; L356-Y418 HydrophobicContact CD2-CE2 4.37Å; L356-Y418 HydrophobicContact CD2-CG 4.47Å; L356-V421 HydrophobicContact CD1-CG2 4.27Å
357	R	43.2	Very low	40.3	Very low	177 Å²	177	76.8 Å²	76.8	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-58.5	-44	175.2	-165.8	179.2	-168.3	-173.2	4.2	112.2	M353 A355 F360 Q361	M353-R357 PolarHBondContact O-N 3.31Å; M353-R357 VanDerWaalsContact O-N 3.12Å; A355-R357 VanDerWaalsContact C-N 3.3Å; A355-R357 PolarHBondContact O-N 3.45Å; R357-F360 PolarHBondContact O-N 3.37Å; R357-Q361 WeakPolarHBondContact O-CG 3.18Å; R357-Q361 PolarHBondContact O-N 3.35Å
358	L	43	Very low	41.2	Very low	94 Å²	94	75.1 Å²	75.1	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-38.3	175.3	-73.1	167.8	0	0	0	112.4	K354 A355 L356 Q361 A362	K354-L358 HydrophobicContact CG-CD1 4.21Å; K354-L358 VanDerWaalsContact O-CG 3.26Å; K354-L358 WeakPolarHBondContact O-CG 3.43Å; K354-L358 PolarHBondContact O-N 2.95Å; A355-L358 PolarHBondContact O-N 3.3Å; L356-L358 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 3.04Å; L358-Q361 PolarHBondContact O-N 3.38Å; L358-A362 WeakPolarHBondContact O-CB 3.4Å; L358-A362 PolarHBondContact O-N 2.81Å
359	A	43.8	Very low	42.2	Very low	7 Å²	7	73.2 Å²	73.2	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176.4	0	0	0	0	0	111.4	A355 L356 A362 A363 L373 F374	A355-A359 WeakPolarHBondContact O-CB 3.46Å; A355-A359 PolarHBondContact O-N 3.48Å; L356-A359 PolarHBondContact O-N 3.42Å; L356-A359 VanDerWaalsContact O-N 3.14Å; A359-A362 PolarHBondContact O-N 3.36Å; A359-A363 WeakPolarHBondContact O-CB 3.38Å; A359-A363 PolarHBondContact O-N 3.43Å; A359-L373 HydrophobicContact CB-CD2 4.2Å; A359-L373 WeakPolarHBondContact O-CD2 3.39Å; A359-F374 HydrophobicContact CB-CZ 4.49Å
360	F	43.9	Very low	42.9	Very low	35 Å²	35	70.3 Å²	70.3	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-41.3	173.2	-90.2	-92.3	0	0	0	112.5	L356 R357 A362 A363 S364 V370 M417	L356-F360 HydrophobicContact CD1-CD2 4.23Å; L356-F360 HydrophobicContact CD1-CE2 3.96Å; L356-F360 HydrophobicContact CD2-CE2 4.35Å; L356-F360 HydrophobicContact CG-CD2 3.98Å; L356-F360 HydrophobicContact CG-CE2 3.93Å; L356-F360 WeakPolarHBondContact O-CD2 3.21Å; L356-F360 PolarHBondContact O-N 3.15Å; R357-F360 PolarHBondContact O-N 3.37Å; F360-A362 VanDerWaalsContact C-N 3.33Å; F360-A363 PolarHBondContact O-N 2.85Å; F360-S364 VanDerWaalsContact O-CB 3.27Å; F360-S364 WeakPolarHBondContact O-CB 3.17Å; F360-S364 PolarHBondContact O-N 3.3Å; F360-V370 HydrophobicContact CB-CG2 4.3Å; F360-V370 HydrophobicContact CD1-CG2 3.37Å; F360-V370 HydrophobicContact CD2-CG1 4.42Å; F360-V370 HydrophobicContact CD2-CG2 3.9Å; F360-V370 HydrophobicContact CE1-CB 4.33Å; F360-V370 HydrophobicContact CE1-CG2 3.51Å; F360-V370 HydrophobicContact CE2-CG1 4.12Å; F360-V370 HydrophobicContact CE2-CG2 4.03Å; F360-V370 HydrophobicContact CG-CG2 3.58Å; F360-V370 HydrophobicContact CZ-CB 4.3Å; F360-V370 HydrophobicContact CZ-CG1 4.27Å; F360-V370 HydrophobicContact CZ-CG2 3.84Å; F360-M417 HydrophobicContact CB-CE 3.62Å; F360-M417 HydrophobicContact CD1-CE 3.5Å; F360-M417 VanDerWaalsContact CD1-CE 3.5Å; F360-M417 HydrophobicContact CD1-CG 4.43Å; F360-M417 HydrophobicContact CD2-CE 3.37Å; F360-M417 HydrophobicContact CE1-CB 4.18Å; F360-M417 HydrophobicContact CE1-CE 3.93Å; F360-M417 HydrophobicContact CE1-CG 3.99Å; F360-M417 HydrophobicContact CE2-CB 4Å; F360-M417 HydrophobicContact CE2-CE 3.81Å; F360-M417 HydrophobicContact CG-CE 3.19Å; F360-M417 HydrophobicContact CZ-CB 3.7Å; F360-M417 HydrophobicContact CZ-CE 4.08Å; F360-M417 HydrophobicContact CZ-CG 4.04Å
361	Q	45.1	Very low	43.5	Very low	104 Å²	104	66.3 Å²	66.3	49%	0.486	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-44.9	172.8	-74.8	175.5	-17.1	0	0	111	R357 L358 V365	R357-Q361 WeakPolarHBondContact O-CG 3.18Å; R357-Q361 PolarHBondContact O-N 3.35Å; L358-Q361 PolarHBondContact O-N 3.38Å; Q361-V365 WeakPolarHBondContact O-CB 3Å; Q361-V365 WeakPolarHBondContact O-CG2 3.12Å; Q361-V365 PolarHBondContact O-N 3.46Å
362	A	43.7	Very low	44.3	Very low	39 Å²	39	68 Å²	68	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-44.4	177	0	0	0	0	0	112.5	L358 A359 F360 V365 L366 L373	L358-A362 WeakPolarHBondContact O-CB 3.4Å; L358-A362 PolarHBondContact O-N 2.81Å; A359-A362 PolarHBondContact O-N 3.36Å; F360-A362 VanDerWaalsContact C-N 3.33Å; A362-V365 WeakPolarHBondContact O-CB 3.04Å; A362-V365 PolarHBondContact O-N 3.03Å; A362-L366 WeakPolarHBondContact O-CB 3.32Å; A362-L366 VanDerWaalsContact O-CG 3.31Å; A362-L366 WeakPolarHBondContact O-CG 3.27Å; A362-L366 PolarHBondContact O-N 2.91Å; A362-L373 HydrophobicContact CB-CD2 3.81Å
363	A	42.4	Very low	45.2	Very low	2 Å²	2	67.3 Å²	67.3	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-46.3	178	0	0	0	0	0	111.6	A359 F360 V365 L366 K367 I368 V370 L373	A359-A363 WeakPolarHBondContact O-CB 3.38Å; A359-A363 PolarHBondContact O-N 3.43Å; F360-A363 PolarHBondContact O-N 2.85Å; A363-V365 VanDerWaalsContact C-N 3.28Å; A363-V365 PolarHBondContact O-N 2.86Å; A363-L366 CarbonylContact O-C 3.56Å; A363-L366 PolarHBondContact O-N 3.07Å; A363-K367 PolarHBondContact O-N 3.18Å; A363-I368 CarbonylContact C-O 3.58Å; A363-I368 PolarHBondContact O-N 3.34Å; A363-V370 HydrophobicContact CB-CB 4.26Å; A363-V370 HydrophobicContact CB-CG2 3.49Å; A363-V370 VanDerWaalsContact CB-CG2 3.49Å; A363-L373 HydrophobicContact CB-CB 4.23Å; A363-L373 HydrophobicContact CB-CD2 4.02Å
364	S	44.7	Very low	45.8	Very low	96 Å²	96	64.7 Å²	64.7	67%	0.671	33%	0.33	S	S	*	.	H	α-helix	trans	-56.8	-42.3	174	179.8	0	0	0	0	111.9	F360 K367	F360-S364 VanDerWaalsContact O-CB 3.27Å; F360-S364 WeakPolarHBondContact O-CB 3.17Å; F360-S364 PolarHBondContact O-N 3.3Å; S364-K367 PolarHBondContact O-N 3.08Å
365	V	41.3	Very low	46.3	Very low	88 Å²	88	61 Å²	61	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.4	166.8	0	0	0	0	112.2	Q361 A362 A363 K367	Q361-V365 WeakPolarHBondContact O-CB 3Å; Q361-V365 WeakPolarHBondContact O-CG2 3.12Å; Q361-V365 PolarHBondContact O-N 3.46Å; A362-V365 WeakPolarHBondContact O-CB 3.04Å; A362-V365 PolarHBondContact O-N 3.03Å; A363-V365 VanDerWaalsContact C-N 3.28Å; A363-V365 PolarHBondContact O-N 2.86Å; V365-K367 PolarHBondContact O-N 3.31Å
366	L	44	Very low	46.8	Very low	57 Å²	57	64.3 Å²	64.3	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-77.1	-5.5	-179.9	-71.6	170	0	0	0	113.2	A362 A363 I368 L373	A362-L366 WeakPolarHBondContact O-CB 3.32Å; A362-L366 VanDerWaalsContact O-CG 3.31Å; A362-L366 WeakPolarHBondContact O-CG 3.27Å; A362-L366 PolarHBondContact O-N 2.91Å; A363-L366 CarbonylContact O-C 3.56Å; A363-L366 PolarHBondContact O-N 3.07Å; L366-I368 HydrophobicContact CB-CD1 3.89Å; L366-I368 HydrophobicContact CB-CG1 3.69Å; L366-I368 HydrophobicContact CB-CG2 4.5Å; L366-I368 HydrophobicContact CD1-CD1 3.83Å; L366-I368 HydrophobicContact CD1-CG1 4.43Å; L366-I368 PolarHBondContact O-N 2.78Å; L366-L373 HydrophobicContact CD1-CD1 3.77Å
367	K	61.1	Low	47.2	Very low	198 Å²	198	65.5 Å²	65.5	86%	0.861	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.8	-172.5	-59.1	-175	176.6	-176.7	0	113.2	A363 S364 V365	A363-K367 PolarHBondContact O-N 3.18Å; S364-K367 PolarHBondContact O-N 3.08Å; V365-K367 PolarHBondContact O-N 3.31Å
368	I	50.2	Low	47.3	Very low	42 Å²	42	57.1 Å²	57.1	22%	0.215	31%	0.307	C	S	.	.	S	Bend	trans	-109.6	158.5	171.7	64.9	-178.2	0	0	0	108.1	A363 L366 E372 L373 L376	A363-I368 CarbonylContact C-O 3.58Å; A363-I368 PolarHBondContact O-N 3.34Å; L366-I368 HydrophobicContact CB-CD1 3.89Å; L366-I368 HydrophobicContact CB-CG1 3.69Å; L366-I368 HydrophobicContact CB-CG2 4.5Å; L366-I368 HydrophobicContact CD1-CD1 3.83Å; L366-I368 HydrophobicContact CD1-CG1 4.43Å; L366-I368 PolarHBondContact O-N 2.78Å; I368-E372 WeakPolarHBondContact CA-OE2 3.36Å; I368-E372 HydrophobicContact CB-CB 3.83Å; I368-E372 WeakPolarHBondContact CB-OE2 3.28Å; I368-E372 HydrophobicContact CD1-CB 4.24Å; I368-E372 HydrophobicContact CG1-CB 4.3Å; I368-L373 HydrophobicContact CD1-CB 3.8Å; I368-L373 HydrophobicContact CD1-CD1 4.25Å; I368-L373 HydrophobicContact CG1-CB 4.28Å; I368-L376 HydrophobicContact CD1-CD1 3.69Å
369	S	51.2	Low	47.7	Very low	49 Å²	49	55.8 Å²	55.8	34%	0.343	30%	0.298	S	S	.	.			trans	-62.6	154.1	166.4	62	0	0	0	0	110.5	D371 E372 L373	S369-D371 PolarHBondContact O-N 2.83Å; S369-E372 PolarHBondContact N-OE2 3.27Å; S369-E372 PolarHBondContact O-N 3.34Å; S369-E372 WeakPolarHBondContact OG-CB 3.45Å; S369-E372 VanDerWaalsContact OG-CG 3.23Å; S369-E372 WeakPolarHBondContact OG-CG 3.24Å; S369-E372 PolarHBondContact OG-N 3.41Å; S369-E372 PolarHBondContact OG-OE2 3.27Å; S369-L373 PolarHBondContact O-N 2.82Å
370	V	46.4	Very low	47.9	Very low	15 Å²	15	59.4 Å²	59.4	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-57.9	-32.1	171	168.2	0	0	0	0	110.9	F360 A363 L373 F374	F360-V370 HydrophobicContact CB-CG2 4.3Å; F360-V370 HydrophobicContact CD1-CG2 3.37Å; F360-V370 HydrophobicContact CD2-CG1 4.42Å; F360-V370 HydrophobicContact CD2-CG2 3.9Å; F360-V370 HydrophobicContact CE1-CB 4.33Å; F360-V370 HydrophobicContact CE1-CG2 3.51Å; F360-V370 HydrophobicContact CE2-CG1 4.12Å; F360-V370 HydrophobicContact CE2-CG2 4.03Å; F360-V370 HydrophobicContact CG-CG2 3.58Å; F360-V370 HydrophobicContact CZ-CB 4.3Å; F360-V370 HydrophobicContact CZ-CG1 4.27Å; F360-V370 HydrophobicContact CZ-CG2 3.84Å; A363-V370 HydrophobicContact CB-CB 4.26Å; A363-V370 HydrophobicContact CB-CG2 3.49Å; A363-V370 VanDerWaalsContact CB-CG2 3.49Å; V370-L373 WeakPolarHBondContact O-CB 3.44Å; V370-L373 PolarHBondContact O-N 3.09Å; V370-F374 HydrophobicContact CG1-CD2 3.49Å; V370-F374 VanDerWaalsContact CG1-CD2 3.49Å; V370-F374 HydrophobicContact CG1-CE2 3.39Å; V370-F374 WeakPolarHBondContact O-CD2 3.39Å; V370-F374 PolarHBondContact O-N 2.81Å
371	D	44.2	Very low	48	Very low	50 Å²	50	58.6 Å²	58.6	27%	0.267	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-48.5	176.3	-60.4	-17.4	0	0	0	111.2	S369 L373 F374 D375 N426	S369-D371 PolarHBondContact O-N 2.83Å; D371-L373 VanDerWaalsContact C-N 3.29Å; D371-L373 PolarHBondContact O-N 3.48Å; D371-F374 CarbonylContact O-C 3.35Å; D371-F374 PolarHBondContact O-N 3.25Å; D371-F374 VanDerWaalsContact O-N 3.12Å; D371-D375 WeakPolarHBondContact O-CB 3.45Å; D371-D375 PolarHBondContact O-N 2.84Å; D371-N426 PolarHBondContact OD1-ND2 3.44Å; D371-N426 PolarHBondContact OD2-ND2 3.44Å; D371-N426 VanDerWaalsContact OD2-ND2 3.09Å
372	E	50.3	Low	48.2	Very low	98 Å²	98	55.4 Å²	55.4	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-38.3	173.4	-77.4	163.6	139.4	0	0	112.1	I368 S369 D375 L376	I368-E372 WeakPolarHBondContact CA-OE2 3.36Å; I368-E372 HydrophobicContact CB-CB 3.83Å; I368-E372 WeakPolarHBondContact CB-OE2 3.28Å; I368-E372 HydrophobicContact CD1-CB 4.24Å; I368-E372 HydrophobicContact CG1-CB 4.3Å; S369-E372 PolarHBondContact N-OE2 3.27Å; S369-E372 PolarHBondContact O-N 3.34Å; S369-E372 WeakPolarHBondContact OG-CB 3.45Å; S369-E372 VanDerWaalsContact OG-CG 3.23Å; S369-E372 WeakPolarHBondContact OG-CG 3.24Å; S369-E372 PolarHBondContact OG-N 3.41Å; S369-E372 PolarHBondContact OG-OE2 3.27Å; E372-D375 PolarHBondContact O-N 3.2Å; E372-L376 VanDerWaalsContact O-CB 3.32Å; E372-L376 WeakPolarHBondContact O-CB 3.19Å; E372-L376 WeakPolarHBondContact O-CD1 3.29Å; E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 2.89Å
373	L	51.4	Low	48.5	Very low	15 Å²	15	56.9 Å²	56.9	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-44.4	174.5	178.6	64.7	0	0	0	111.3	A359 A362 A363 L366 I368 S369 V370 D371 L377	A359-L373 HydrophobicContact CB-CD2 4.2Å; A359-L373 WeakPolarHBondContact O-CD2 3.39Å; A362-L373 HydrophobicContact CB-CD2 3.81Å; A363-L373 HydrophobicContact CB-CB 4.23Å; A363-L373 HydrophobicContact CB-CD2 4.02Å; L366-L373 HydrophobicContact CD1-CD1 3.77Å; I368-L373 HydrophobicContact CD1-CB 3.8Å; I368-L373 HydrophobicContact CD1-CD1 4.25Å; I368-L373 HydrophobicContact CG1-CB 4.28Å; S369-L373 PolarHBondContact O-N 2.82Å; V370-L373 WeakPolarHBondContact O-CB 3.44Å; V370-L373 PolarHBondContact O-N 3.09Å; D371-L373 VanDerWaalsContact C-N 3.29Å; D371-L373 PolarHBondContact O-N 3.48Å; L373-L377 HydrophobicContact CD1-CD1 4.14Å; L373-L377 HydrophobicContact CD1-CG 4.32Å; L373-L377 HydrophobicContact CG-CD1 3.93Å; L373-L377 WeakPolarHBondContact O-CB 3.39Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.94Å
374	F	48.9	Very low	48.9	Very low	17 Å²	17	64 Å²	64	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-45.8	176.1	-86.5	-65.9	0	0	0	111.1	L356 A359 V370 D371 L376 L377 L378 F438 F441	L356-F374 HydrophobicContact CD1-CZ 4.43Å; A359-F374 HydrophobicContact CB-CZ 4.49Å; V370-F374 HydrophobicContact CG1-CD2 3.49Å; V370-F374 VanDerWaalsContact CG1-CD2 3.49Å; V370-F374 HydrophobicContact CG1-CE2 3.39Å; V370-F374 WeakPolarHBondContact O-CD2 3.39Å; V370-F374 PolarHBondContact O-N 2.81Å; D371-F374 CarbonylContact O-C 3.35Å; D371-F374 PolarHBondContact O-N 3.25Å; D371-F374 VanDerWaalsContact O-N 3.12Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 3.45Å; F374-L377 PolarHBondContact O-N 3.34Å; F374-L378 HydrophobicContact CB-CD1 4.3Å; F374-L378 VanDerWaalsContact O-CB 3.24Å; F374-L378 WeakPolarHBondContact O-CB 3.48Å; F374-L378 WeakPolarHBondContact O-CD1 3.37Å; F374-L378 WeakPolarHBondContact O-CG 3.43Å; F374-L378 PolarHBondContact O-N 2.83Å; F374-F438 HydrophobicContact CD1-CD2 4.38Å; F374-F438 HydrophobicContact CD1-CE2 4.28Å; F374-F438 HydrophobicContact CE1-CD2 4.26Å; F374-F438 AromaticContact CE1-CE2 3.8Å; F374-F438 HydrophobicContact CE1-CE2 3.8Å; F374-F438 HydrophobicContact CZ-CE2 4.29Å; F374-F441 AromaticContact CE1-CD1 3.86Å; F374-F441 HydrophobicContact CE1-CD1 3.86Å; F374-F441 AromaticContact CE1-CE1 3.57Å; F374-F441 HydrophobicContact CE1-CE1 3.57Å; F374-F441 HydrophobicContact CE1-CZ 4.24Å; F374-F441 HydrophobicContact CZ-CE1 4.22Å
375	D	50.7	Low	49	Very low	63 Å²	63	64.3 Å²	64.3	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-46.5	176.5	-79.9	-24.5	0	0	0	111	D371 E372 L377 L378 E379	D371-D375 WeakPolarHBondContact O-CB 3.45Å; D371-D375 PolarHBondContact O-N 2.84Å; E372-D375 PolarHBondContact O-N 3.2Å; D375-L377 PolarHBondContact O-N 3.22Å; D375-L378 PolarHBondContact O-N 2.87Å; D375-E379 WeakPolarHBondContact O-CB 3.21Å; D375-E379 VanDerWaalsContact O-CG 3.27Å; D375-E379 WeakPolarHBondContact O-CG 3.37Å; D375-E379 PolarHBondContact O-N 3.24Å
376	L	52.3	Low	49	Very low	81 Å²	81	60.1 Å²	60.1	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-50.2	173.5	-77	166.3	0	0	0	111.8	I368 E372 F374 L378 E379 M380	I368-L376 HydrophobicContact CD1-CD1 3.69Å; E372-L376 VanDerWaalsContact O-CB 3.32Å; E372-L376 WeakPolarHBondContact O-CB 3.19Å; E372-L376 WeakPolarHBondContact O-CD1 3.29Å; E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 2.89Å; F374-L376 VanDerWaalsContact C-N 3.33Å; F374-L376 PolarHBondContact O-N 3.45Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.07Å; L376-E379 PolarHBondContact O-N 3.23Å; L376-M380 WeakPolarHBondContact O-CG 3.14Å; L376-M380 PolarHBondContact O-N 3.46Å
377	L	49.7	Very low	48.9	Very low	48 Å²	48	62.4 Å²	62.4	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.9	-74.9	168.8	0	0	0	112.3	L373 F374 D375 M380 I381 F441	L373-L377 HydrophobicContact CD1-CD1 4.14Å; L373-L377 HydrophobicContact CD1-CG 4.32Å; L373-L377 HydrophobicContact CG-CD1 3.93Å; L373-L377 WeakPolarHBondContact O-CB 3.39Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.94Å; F374-L377 PolarHBondContact O-N 3.34Å; D375-L377 PolarHBondContact O-N 3.22Å; L377-M380 PolarHBondContact O-N 2.87Å; L377-I381 WeakPolarHBondContact O-CD1 3.37Å; L377-I381 VanDerWaalsContact O-CG1 3.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.19Å; L377-F441 HydrophobicContact CD1-CD2 4.18Å; L377-F441 HydrophobicContact CD1-CE2 3.6Å; L377-F441 HydrophobicContact CD1-CZ 4.09Å
378	L	45.6	Very low	48.1	Very low	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-71.3	-40.7	179.4	-65.5	166.7	0	0	0	110	F374 D375 L376 M380 I381 L430 Y434 R437 F438	F374-L378 HydrophobicContact CB-CD1 4.3Å; F374-L378 VanDerWaalsContact O-CB 3.24Å; F374-L378 WeakPolarHBondContact O-CB 3.48Å; F374-L378 WeakPolarHBondContact O-CD1 3.37Å; F374-L378 WeakPolarHBondContact O-CG 3.43Å; F374-L378 PolarHBondContact O-N 2.83Å; D375-L378 PolarHBondContact O-N 2.87Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.07Å; L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3.47Å; L378-I381 PolarHBondContact O-N 2.86Å; L378-I381 VanDerWaalsContact O-N 3.1Å; L378-L430 HydrophobicContact CD1-CD2 3.85Å; L378-Y434 HydrophobicContact CB-CD1 4.37Å; L378-Y434 HydrophobicContact CB-CD2 4.48Å; L378-Y434 HydrophobicContact CB-CG 4.17Å; L378-Y434 HydrophobicContact CD1-CD2 3.88Å; L378-Y434 HydrophobicContact CD1-CG 4.01Å; L378-R437 HydrophobicContact CB-CB 4.22Å; L378-R437 VanDerWaalsContact CD2-C 3.41Å; L378-R437 HydrophobicContact CD2-CB 3.39Å; L378-R437 HydrophobicContact CG-CB 4.39Å; L378-R437 WeakPolarHBondContact O-CD 3.21Å; L378-R437 PolarHBondContact O-NE 3.47Å; L378-R437 PolarHBondContact O-NH1 3.12Å; L378-R437 VanDerWaalsContact O-NH1 3.14Å; L378-F438 HydrophobicContact CD2-CB 3.94Å; L378-F438 VanDerWaalsContact CD2-N 3.26Å
379	E	51	Low	47.7	Very low	66 Å²	66	58.7 Å²	58.7	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-39.5	173.4	-81.6	-168.3	-171.6	0	0	112.5	D375 L376 I381 Y466	D375-E379 WeakPolarHBondContact O-CB 3.21Å; D375-E379 VanDerWaalsContact O-CG 3.27Å; D375-E379 WeakPolarHBondContact O-CG 3.37Å; D375-E379 PolarHBondContact O-N 3.24Å; L376-E379 PolarHBondContact O-N 3.23Å; E379-I381 PolarHBondContact O-N 3.12Å; E379-Y466 HydrophobicContact CB-CE2 4.15Å; E379-Y466 WeakPolarHBondContact CB-OH 3.38Å; E379-Y466 WeakPolarHBondContact CG-OH 3.32Å; E379-Y466 WeakPolarHBondContact O-CE2 3.46Å; E379-Y466 WeakPolarHBondContact OE2-CE1 3.42Å; E379-Y466 PolarHBondContact OE2-OH 2.77Å
380	M	48.3	Very low	47	Very low	84 Å²	84	57 Å²	57	41%	0.414	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.6	175.5	-71	176.8	75.9	0	0	114.2	L376 L377 L378 I471	L376-M380 WeakPolarHBondContact O-CG 3.14Å; L376-M380 PolarHBondContact O-N 3.46Å; L377-M380 PolarHBondContact O-N 2.87Å; L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3.47Å; M380-I471 HydrophobicContact CE-CG1 4.4Å; M380-I471 HydrophobicContact CE-CG2 4.07Å
381	I	44.6	Very low	46.5	Very low	18 Å²	18	66.3 Å²	66.3	9%	0.092	32%	0.318	C	S	.	.	S	Bend	trans	-99.8	110.1	-178.8	-59.8	160.1	0	0	0	108.9	L377 L378 E379 A386 R437 F440	L377-I381 WeakPolarHBondContact O-CD1 3.37Å; L377-I381 VanDerWaalsContact O-CG1 3.32Å; L377-I381 WeakPolarHBondContact O-CG1 3.19Å; L378-I381 PolarHBondContact O-N 2.86Å; L378-I381 VanDerWaalsContact O-N 3.1Å; E379-I381 PolarHBondContact O-N 3.12Å; I381-A386 HydrophobicContact CG2-CB 4.02Å; I381-R437 HydrophobicContact CB-CB 4.15Å; I381-R437 HydrophobicContact CB-CG 3.94Å; I381-R437 HydrophobicContact CD1-CB 4.28Å; I381-R437 HydrophobicContact CG2-CB 4.19Å; I381-R437 HydrophobicContact CG2-CG 3.9Å; I381-R437 PolarHBondContact O-NE 2.93Å; I381-R437 PolarHBondContact O-NH2 3.31Å; I381-F440 HydrophobicContact CD1-CD1 3.77Å; I381-F440 HydrophobicContact CD1-CE1 4.46Å; I381-F440 HydrophobicContact CG1-CD1 4.11Å; I381-F440 HydrophobicContact CG1-CE1 4.44Å; I381-F440 HydrophobicContact CG2-CD1 4.09Å; I381-F440 HydrophobicContact CG2-CG 4.37Å
382	T	49.3	Very low	46.3	Very low	36 Å²	36	68.7 Å²	68.7	22%	0.221	34%	0.338	C	S	.	.			trans	-65	141.5	174.6	62.2	0	0	0	0	111.2	E384 R385 A386 V465	T382-E384 PolarHBondContact O-N 3.35Å; T382-R385 WeakPolarHBondContact O-CB 3.03Å; T382-R385 PolarHBondContact O-N 2.89Å; T382-R385 WeakPolarHBondContact OG1-CB 3.08Å; T382-R385 WeakPolarHBondContact OG1-CG 3.49Å; T382-R385 PolarHBondContact OG1-N 3.19Å; T382-A386 PolarHBondContact O-N 3.31Å; T382-V465 HydrophobicContact CG2-CG2 4.22Å
383	I	50.1	Low	45.5	Very low	70 Å²	70	66.8 Å²	66.8	36%	0.359	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-35.9	-179.5	-65.8	175.1	0	0	0	110.4	R385 A386 K387	I383-R385 PolarHBondContact O-N 2.8Å; I383-A386 PolarHBondContact O-N 3.47Å; I383-K387 HydrophobicContact CG2-CD 3.78Å; I383-K387 VanDerWaalsContact CG2-CE 3.48Å; I383-K387 HydrophobicContact CG2-CG 4.1Å; I383-K387 VanDerWaalsContact O-CB 3.32Å; I383-K387 WeakPolarHBondContact O-CB 3.21Å; I383-K387 WeakPolarHBondContact O-CG 3.45Å; I383-K387 PolarHBondContact O-N 3.47Å
384	E	50.7	Low	44.3	Very low	151 Å²	151	77 Å²	77	71%	0.706	37%	0.368	S	S	*	.	H	α-helix	trans	-65	-39	175.8	-58.6	98.4	174.3	0	0	112.7	T382 G388	T382-E384 PolarHBondContact O-N 3.35Å; E384-G388 PolarHBondContact O-N 3.36Å
385	R	47.3	Very low	43.2	Very low	103 Å²	103	83.1 Å²	83.1	39%	0.389	40%	0.397	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.7	-88.8	-178.6	173.3	-173.3	-4.6	111.7	T382 I383 R389 H461	T382-R385 WeakPolarHBondContact O-CB 3.03Å; T382-R385 PolarHBondContact O-N 2.89Å; T382-R385 WeakPolarHBondContact OG1-CB 3.08Å; T382-R385 WeakPolarHBondContact OG1-CG 3.49Å; T382-R385 PolarHBondContact OG1-N 3.19Å; I383-R385 PolarHBondContact O-N 2.8Å; R385-R389 PolarHBondContact O-N 2.78Å; R385-H461 PolarHBondContact NH2-O 3.26Å
386	A	42.4	Very low	42.2	Very low	0 Å²	0	81 Å²	81	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-59.1	-64.3	173.4	0	0	0	0	0	108.9	I381 T382 I383 G388 R389 I390 D436 R437 F440	I381-A386 HydrophobicContact CG2-CB 4.02Å; T382-A386 PolarHBondContact O-N 3.31Å; I383-A386 PolarHBondContact O-N 3.47Å; A386-G388 VanDerWaalsContact C-N 3.26Å; A386-G388 PolarHBondContact O-N 2.84Å; A386-G388 VanDerWaalsContact O-N 3.08Å; A386-R389 PolarHBondContact O-N 2.94Å; A386-I390 HydrophobicContact CB-CD1 4.2Å; A386-I390 WeakPolarHBondContact O-CG1 3.34Å; A386-I390 PolarHBondContact O-N 3.24Å; A386-I390 VanDerWaalsContact O-N 3.11Å; A386-D436 HydrophobicContact CB-CB 3.79Å; A386-D436 WeakPolarHBondContact CB-O 3.1Å; A386-R437 HydrophobicContact CB-CG 4.43Å; A386-F440 HydrophobicContact CB-CB 4.5Å
387	K	41.8	Very low	41	Very low	105 Å²	105	81 Å²	81	46%	0.457	39%	0.39	S	S	.	.	H	α-helix	trans	-48	-44.4	-179.2	-76.7	-177.6	178.3	175.1	0	113.6	I383 R389 I390 R391 D436	I383-K387 HydrophobicContact CG2-CD 3.78Å; I383-K387 VanDerWaalsContact CG2-CE 3.48Å; I383-K387 HydrophobicContact CG2-CG 4.1Å; I383-K387 VanDerWaalsContact O-CB 3.32Å; I383-K387 WeakPolarHBondContact O-CB 3.21Å; I383-K387 WeakPolarHBondContact O-CG 3.45Å; I383-K387 PolarHBondContact O-N 3.47Å; K387-R389 PolarHBondContact O-N 2.93Å; K387-I390 PolarHBondContact O-N 3.05Å; K387-R391 WeakPolarHBondContact O-CG 3.44Å; K387-R391 PolarHBondContact O-N 2.99Å; K387-D436 WeakPolarHBondContact CE-OD2 3.34Å; K387-D436 WeakPolarHBondContact CG-OD2 3.28Å
388	G	44.5	Very low	40	Very low	54 Å²	54	85.4 Å²	85.4	56%	0.557	41%	0.409	S	S	*	.	H	α-helix	trans	-57	-33.3	178.4	0	0	0	0	0	113.9	E384 A386	E384-G388 PolarHBondContact O-N 3.36Å; A386-G388 VanDerWaalsContact C-N 3.26Å; A386-G388 PolarHBondContact O-N 2.84Å; A386-G388 VanDerWaalsContact O-N 3.08Å
389	R	41	Very low	39.3	Very low	108 Å²	108	89.5 Å²	89.5	41%	0.408	43%	0.43	S	S	.	.	H	α-helix	trans	-97.2	-20.9	-177.3	-64	-131.5	-177.5	166.7	0.7	115	R385 A386 K387 F440	R385-R389 PolarHBondContact O-N 2.78Å; A386-R389 PolarHBondContact O-N 2.94Å; K387-R389 PolarHBondContact O-N 2.93Å; R389-F440 HydrophobicContact CB-CD2 4.41Å; R389-F440 HydrophobicContact CG-CE2 4.46Å
390	I	36.1	Very low	38.4	Very low	14 Å²	14	88.4 Å²	88.4	7%	0.072	43%	0.426	C	S	.	.	H	α-helix	trans	-99.7	-5.9	177.7	23	162.2	0	0	0	113.9	A386 K387 S392 I393 D436 I439	A386-I390 HydrophobicContact CB-CD1 4.2Å; A386-I390 WeakPolarHBondContact O-CG1 3.34Å; A386-I390 PolarHBondContact O-N 3.24Å; A386-I390 VanDerWaalsContact O-N 3.11Å; K387-I390 PolarHBondContact O-N 3.05Å; I390-S392 PolarHBondContact O-N 2.86Å; I390-I393 HydrophobicContact CG2-CB 4.42Å; I390-I393 HydrophobicContact CG2-CD1 3.95Å; I390-I393 HydrophobicContact CG2-CG1 4.32Å; I390-I393 PolarHBondContact O-N 3.35Å; I390-D436 HydrophobicContact CD1-CB 3.35Å; I390-D436 WeakPolarHBondContact CD1-O 3.47Å; I390-D436 WeakPolarHBondContact CD1-OD1 3.47Å; I390-I439 HydrophobicContact CG2-CB 4.12Å; I390-I439 HydrophobicContact CG2-CG2 3.41Å; I390-I439 VanDerWaalsContact CG2-CG2 3.41Å
391	R	35.7	Very low	37.5	Very low	210 Å²	210	90.6 Å²	90.6	79%	0.792	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-22	173.5	-95.9	177.4	-179.5	-173.8	1.6	113.9	K387	K387-R391 WeakPolarHBondContact O-CG 3.44Å; K387-R391 PolarHBondContact O-N 2.99Å
392	S	39.7	Very low	36.8	Very low	100 Å²	100	95.2 Å²	95.2	70%	0.699	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-11	174.1	55.7	0	0	0	0	114.9	I390	I390-S392 PolarHBondContact O-N 2.86Å
393	I	33.6	Very low	36.1	Very low	59 Å²	59	95.2 Å²	95.2	30%	0.303	46%	0.456	S	S	.	.			trans	-109	65.5	-172.8	-45.5	-173.3	0	0	0	109.6	I390 H395	I390-I393 HydrophobicContact CG2-CB 4.42Å; I390-I393 HydrophobicContact CG2-CD1 3.95Å; I390-I393 HydrophobicContact CG2-CG1 4.32Å; I390-I393 PolarHBondContact O-N 3.35Å; I393-H395 PolarHBondContact O-N 3.05Å
394	R	27.2	Very low	35.3	Very low	230 Å²	230	94.4 Å²	94.4	87%	0.868	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-9	-179.6	-75.4	-174.6	-176.6	-179.1	1.1	114.9
395	H	26.5	Very low	34.2	Very low	145 Å²	145	97.6 Å²	97.6	67%	0.671	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	14	-172.3	-66.5	-56.1	0	0	0	115	I393 V397 H398 L399	I393-H395 PolarHBondContact O-N 3.05Å; H395-V397 PolarHBondContact O-N 3.45Å; H395-H398 PolarHBondContact O-N 2.91Å; H395-L399 PolarHBondContact O-N 2.67Å
396	S	29.7	Very low	33.5	Very low	19 Å²	19	97.7 Å²	97.7	13%	0.133	47%	0.466	C	S	.	.	H	α-helix	trans	-60.2	-35.6	-170.9	57	0	0	0	0	115	L399 L400 H435 I439	S396-L399 PolarHBondContact O-N 3.37Å; S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 PolarHBondContact O-N 2.94Å; S396-H435 PolarHBondContact OG-NE2 3.47Å; S396-I439 VanDerWaalsContact CB-CD1 3.42Å; S396-I439 WeakPolarHBondContact OG-CD1 3.48Å
397	V	26.9	Very low	33	Very low	81 Å²	81	100.6 Å²	100.6	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-38.3	-179.6	-177.4	0	0	0	0	112	H395 K401	H395-V397 PolarHBondContact O-N 3.45Å; V397-K401 WeakPolarHBondContact O-CB 3.29Å; V397-K401 PolarHBondContact O-N 2.79Å
398	H	27.6	Very low	32.3	Very low	139 Å²	139	100.6 Å²	100.6	64%	0.644	49%	0.492	S	S	*	.	H	α-helix	trans	-74.2	-38	176.9	-110.9	66.1	0	0	0	111.5	H395 K401 L402	H395-H398 PolarHBondContact O-N 2.91Å; H398-K401 PolarHBondContact O-N 2.75Å; H398-L402 VanDerWaalsContact O-CB 3.27Å; H398-L402 WeakPolarHBondContact O-CB 3.49Å; H398-L402 WeakPolarHBondContact O-CD1 3.38Å; H398-L402 VanDerWaalsContact O-CG 3.28Å; H398-L402 WeakPolarHBondContact O-CG 3.37Å; H398-L402 PolarHBondContact O-N 2.95Å
399	L	32	Very low	31.7	Very low	87 Å²	87	105.2 Å²	105.2	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-44	177.6	-145	92.9	0	0	0	111.3	H395 S396 L402 L403	H395-L399 PolarHBondContact O-N 2.67Å; S396-L399 PolarHBondContact O-N 3.37Å; L399-L402 PolarHBondContact O-N 3.35Å; L399-L403 HydrophobicContact CD2-CD1 4.09Å; L399-L403 HydrophobicContact CG-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CD1 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 3.49Å
400	L	31.9	Very low	31.3	Very low	43 Å²	43	104.6 Å²	104.6	23%	0.225	51%	0.505	C	S	.	.	H	α-helix	trans	-64.3	-45.6	173.3	-91.8	145.2	0	0	0	111.1	S396 L402 L403 L404 F438 I439	S396-L400 WeakPolarHBondContact O-CB 3.41Å; S396-L400 PolarHBondContact O-N 2.94Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.47Å; L400-L403 PolarHBondContact O-N 3.41Å; L400-L404 HydrophobicContact CB-CD1 4.28Å; L400-L404 HydrophobicContact CD2-CD1 3.64Å; L400-L404 HydrophobicContact CD2-CG 4.32Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 WeakPolarHBondContact O-CD1 3.15Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 2.94Å; L400-F438 HydrophobicContact CD2-CE1 4.33Å; L400-I439 HydrophobicContact CD1-CD1 4.37Å; L400-I439 HydrophobicContact CD1-CG1 3.87Å
401	K	28.3	Very low	31.1	Very low	131 Å²	131	110 Å²	110	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-59.9	-38.9	174.8	-89.2	-174.8	171.4	-178.7	0	113.2	V397 H398 L404 R405	V397-K401 WeakPolarHBondContact O-CB 3.29Å; V397-K401 PolarHBondContact O-N 2.79Å; H398-K401 PolarHBondContact O-N 2.75Å; K401-L404 PolarHBondContact O-N 2.93Å; K401-R405 WeakPolarHBondContact O-CB 2.95Å; K401-R405 PolarHBondContact O-N 3.47Å
402	L	30	Very low	30.8	Very low	114 Å²	114	103.8 Å²	103.8	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-73.6	-38	177.4	-78	164.3	0	0	0	112.6	H398 L399 L400 L404	H398-L402 VanDerWaalsContact O-CB 3.27Å; H398-L402 WeakPolarHBondContact O-CB 3.49Å; H398-L402 WeakPolarHBondContact O-CD1 3.38Å; H398-L402 VanDerWaalsContact O-CG 3.28Å; H398-L402 WeakPolarHBondContact O-CG 3.37Å; H398-L402 PolarHBondContact O-N 2.95Å; L399-L402 PolarHBondContact O-N 3.35Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.47Å; L402-L404 VanDerWaalsContact C-N 3.25Å; L402-L404 PolarHBondContact O-N 3.38Å
403	L	34.1	Very low	30.1	Very low	36 Å²	36	103.4 Å²	103.4	19%	0.188	52%	0.524	C	S	.	.	H	α-helix	trans	-62.4	-37.6	171.9	-77.3	162.1	0	0	0	110.4	K349 L399 L400 F407	K349-L403 HydrophobicContact CD-CD2 4.09Å; K349-L403 HydrophobicContact CG-CD2 3.37Å; L399-L403 HydrophobicContact CD2-CD1 4.09Å; L399-L403 HydrophobicContact CG-CD1 4.3Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CD1 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.28Å; L399-L403 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.41Å; L403-F407 WeakPolarHBondContact O-CE2 3.4Å
404	L	34.4	Very low	30	Very low	53 Å²	53	104.5 Å²	104.5	28%	0.277	53%	0.53	S	S	.	.	H	α-helix	trans	-99	-10.3	-166.5	-60.8	173.9	0	0	0	117	L400 K401 L402 F407 F422	L400-L404 HydrophobicContact CB-CD1 4.28Å; L400-L404 HydrophobicContact CD2-CD1 3.64Å; L400-L404 HydrophobicContact CD2-CG 4.32Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 WeakPolarHBondContact O-CD1 3.15Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 2.94Å; K401-L404 PolarHBondContact O-N 2.93Å; L402-L404 VanDerWaalsContact C-N 3.25Å; L402-L404 PolarHBondContact O-N 3.38Å; L404-F407 VanDerWaalsContact CA-CD2 3.49Å; L404-F407 HydrophobicContact CB-CD2 4.42Å; L404-F407 HydrophobicContact CB-CE2 4.39Å; L404-F407 HydrophobicContact CD2-CD2 4.24Å; L404-F407 HydrophobicContact CD2-CE2 3.64Å; L404-F407 HydrophobicContact CG-CE2 4.49Å; L404-F407 WeakPolarHBondContact O-CD2 3.49Å; L404-F422 HydrophobicContact CD1-CE1 3.93Å; L404-F422 HydrophobicContact CD1-CZ 4.33Å; L404-F422 HydrophobicContact CD2-CE1 4.13Å; L404-F422 HydrophobicContact CD2-CZ 3.65Å; L404-F422 HydrophobicContact CG-CE1 4.49Å; L404-F422 HydrophobicContact CG-CZ 4.45Å
405	R	26.5	Very low	30.1	Very low	219 Å²	219	95.7 Å²	95.7	83%	0.826	50%	0.504	S	S	*	.	H	α-helix	trans	-85.9	-22.9	-177.8	-170.5	176	171.3	-171	-3.3	114.2	K401 F407	K401-R405 WeakPolarHBondContact O-CB 2.95Å; K401-R405 PolarHBondContact O-N 3.47Å; R405-F407 VanDerWaalsContact C-N 3.33Å; R405-F407 PolarHBondContact O-N 2.65Å
406	D	33	Very low	30.2	Very low	105 Å²	105	95.8 Å²	95.8	56%	0.561	50%	0.498	S	S	*	.	S	Bend	trans	-92.1	22.3	-173.2	-67.8	-15.9	0	0	0	113.8	S408	D406-S408 PolarHBondContact O-N 3.11Å
407	F	32	Very low	30.3	Very low	60 Å²	60	96.5 Å²	96.5	26%	0.263	50%	0.5	S	S	.	.			trans	-90.1	19.9	-170.9	-81.2	-68.4	0	0	0	116.1	L403 L404 R405 N409 F410	L403-F407 WeakPolarHBondContact O-CE2 3.4Å; L404-F407 VanDerWaalsContact CA-CD2 3.49Å; L404-F407 HydrophobicContact CB-CD2 4.42Å; L404-F407 HydrophobicContact CB-CE2 4.39Å; L404-F407 HydrophobicContact CD2-CD2 4.24Å; L404-F407 HydrophobicContact CD2-CE2 3.64Å; L404-F407 HydrophobicContact CG-CE2 4.49Å; L404-F407 WeakPolarHBondContact O-CD2 3.49Å; R405-F407 VanDerWaalsContact C-N 3.33Å; R405-F407 PolarHBondContact O-N 2.65Å; F407-N409 VanDerWaalsContact C-N 3.3Å; F407-N409 PolarHBondContact O-N 3.49Å; F407-F410 AromaticContact CD1-CD2 3.81Å; F407-F410 HydrophobicContact CD1-CD2 3.81Å; F407-F410 AromaticContact CD1-CE2 3.47Å; F407-F410 HydrophobicContact CD1-CE2 3.47Å; F407-F410 VanDerWaalsContact CD1-CE2 3.47Å; F407-F410 HydrophobicContact CD1-CZ 4.42Å; F407-F410 AromaticContact CE1-CE2 3.92Å; F407-F410 HydrophobicContact CE1-CE2 3.92Å; F407-F410 HydrophobicContact CE1-CZ 4.48Å
408	S	27.3	Very low	30.7	Very low	105 Å²	105	94.5 Å²	94.5	73%	0.734	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.6	-171.4	62.5	0	0	0	0	116.5	D406	D406-S408 PolarHBondContact O-N 3.11Å
409	N	32.3	Very low	30.9	Very low	152 Å²	152	90 Å²	90	81%	0.813	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	33.4	-169.8	-71.1	0.6	0	0	0	115.1	F407	F407-N409 VanDerWaalsContact C-N 3.3Å; F407-N409 PolarHBondContact O-N 3.49Å
410	F	31.7	Very low	30.9	Very low	94 Å²	94	92.6 Å²	92.6	41%	0.412	48%	0.479	S	S	.	.	S	Bend	trans	-102.1	149.1	178	-75.5	-82.7	0	0	0	113.6	F407 S415	F407-F410 AromaticContact CD1-CD2 3.81Å; F407-F410 HydrophobicContact CD1-CD2 3.81Å; F407-F410 AromaticContact CD1-CE2 3.47Å; F407-F410 HydrophobicContact CD1-CE2 3.47Å; F407-F410 VanDerWaalsContact CD1-CE2 3.47Å; F407-F410 HydrophobicContact CD1-CZ 4.42Å; F407-F410 AromaticContact CE1-CE2 3.92Å; F407-F410 HydrophobicContact CE1-CE2 3.92Å; F407-F410 HydrophobicContact CE1-CZ 4.48Å; F410-S415 WeakPolarHBondContact CB-OG 3.32Å; F410-S415 PolarHBondContact O-OG 2.95Å
411	D	33.4	Very low	31	Very low	127 Å²	127	91.2 Å²	91.2	68%	0.679	47%	0.472	S	S	*	.			trans	-51.3	142.5	175.9	-95.7	-29.9	0	0	0	111.3	C413 D414 S415	D411-C413 PolarHBondContact O-N 3.37Å; D411-D414 PolarHBondContact O-N 3.35Å; D411-S415 PolarHBondContact O-N 3.48Å; D411-S415 PolarHBondContact O-OG 3.45Å
412	A	27.7	Very low	31.4	Very low	80 Å²	80	88.1 Å²	88.1	66%	0.661	46%	0.459	S	S	*	.	H	α-helix	trans	-53.3	-29.2	-169.9	0	0	0	0	0	114.2	W416	A412-W416 WeakPolarHBondContact O-CB 3.48Å; A412-W416 PolarHBondContact O-N 2.71Å
413	C	26.8	Very low	31.8	Very low	93 Å²	93	86 Å²	86	63%	0.628	45%	0.448	S	S	*	.	H	α-helix	trans	-70.7	-45.5	-179.9	-146.7	0	0	0	0	112	D411 M417	D411-C413 PolarHBondContact O-N 3.37Å; C413-M417 VanDerWaalsContact O-CG 3.3Å; C413-M417 WeakPolarHBondContact O-CG 3.49Å; C413-M417 PolarHBondContact O-N 2.91Å
414	D	30.9	Very low	31.7	Very low	81 Å²	81	90.9 Å²	90.9	43%	0.433	47%	0.474	S	S	.	.	H	α-helix	trans	-72.3	-44.4	175.5	-73.1	-28.4	0	0	0	109.8	D411 W416 M417 Y418	D411-D414 PolarHBondContact O-N 3.35Å; D414-W416 VanDerWaalsContact C-N 3.28Å; D414-W416 PolarHBondContact O-N 2.93Å; D414-M417 WeakPolarHBondContact O-CB 3.22Å; D414-M417 PolarHBondContact O-N 2.88Å; D414-Y418 HydrophobicContact CB-CD2 4.33Å; D414-Y418 HydrophobicContact CB-CE2 4.09Å; D414-Y418 WeakPolarHBondContact O-CD2 3.47Å; D414-Y418 PolarHBondContact O-N 3.36Å
415	S	28.1	Very low	31.9	Very low	45 Å²	45	96.5 Å²	96.5	32%	0.315	50%	0.497	S	S	.	.	H	α-helix	trans	-56.4	-37.5	176.3	-71.3	0	0	0	0	113.3	F410 D411 G419	F410-S415 WeakPolarHBondContact CB-OG 3.32Å; F410-S415 PolarHBondContact O-OG 2.95Å; D411-S415 PolarHBondContact O-N 3.48Å; D411-S415 PolarHBondContact O-OG 3.45Å; S415-G419 PolarHBondContact O-N 2.87Å
416	W	29.9	Very low	32.4	Very low	148 Å²	148	87.9 Å²	87.9	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-70.4	-41.5	173.7	174.3	79	0	0	0	112.8	A412 D414 Y418 G419 R420	A412-W416 WeakPolarHBondContact O-CB 3.48Å; A412-W416 PolarHBondContact O-N 2.71Å; D414-W416 VanDerWaalsContact C-N 3.28Å; D414-W416 PolarHBondContact O-N 2.93Å; W416-Y418 PolarHBondContact O-N 3.43Å; W416-G419 PolarHBondContact O-N 3.21Å; W416-R420 PolarHBondContact O-N 3.48Å
417	M	31.6	Very low	32.6	Very low	34 Å²	34	86.4 Å²	86.4	17%	0.167	46%	0.456	C	S	.	.	H	α-helix	trans	-59.8	-37.6	174.1	-71	171.5	72	0	0	111.2	F360 C413 D414	F360-M417 HydrophobicContact CB-CE 3.62Å; F360-M417 HydrophobicContact CD1-CE 3.5Å; F360-M417 VanDerWaalsContact CD1-CE 3.5Å; F360-M417 HydrophobicContact CD1-CG 4.43Å; F360-M417 HydrophobicContact CD2-CE 3.37Å; F360-M417 HydrophobicContact CE1-CB 4.18Å; F360-M417 HydrophobicContact CE1-CE 3.93Å; F360-M417 HydrophobicContact CE1-CG 3.99Å; F360-M417 HydrophobicContact CE2-CB 4Å; F360-M417 HydrophobicContact CE2-CE 3.81Å; F360-M417 HydrophobicContact CG-CE 3.19Å; F360-M417 HydrophobicContact CZ-CB 3.7Å; F360-M417 HydrophobicContact CZ-CE 4.08Å; F360-M417 HydrophobicContact CZ-CG 4.04Å; C413-M417 VanDerWaalsContact O-CG 3.3Å; C413-M417 WeakPolarHBondContact O-CG 3.49Å; C413-M417 PolarHBondContact O-N 2.91Å; D414-M417 WeakPolarHBondContact O-CB 3.22Å; D414-M417 PolarHBondContact O-N 2.88Å
418	Y	35.8	Very low	32.7	Very low	39 Å²	39	88.5 Å²	88.5	15%	0.153	47%	0.469	C	S	.	.	H	α-helix	trans	-70.7	-44.1	173.5	-74.6	-66.5	0	0	0	112.9	L356 D414 W416 R420 V421 F422	L356-Y418 HydrophobicContact CD2-CD1 3.69Å; L356-Y418 HydrophobicContact CD2-CE1 3.21Å; L356-Y418 HydrophobicContact CD2-CE2 4.37Å; L356-Y418 HydrophobicContact CD2-CG 4.47Å; D414-Y418 HydrophobicContact CB-CD2 4.33Å; D414-Y418 HydrophobicContact CB-CE2 4.09Å; D414-Y418 WeakPolarHBondContact O-CD2 3.47Å; D414-Y418 PolarHBondContact O-N 3.36Å; W416-Y418 PolarHBondContact O-N 3.43Å; Y418-R420 PolarHBondContact O-N 2.86Å; Y418-V421 PolarHBondContact O-N 3.33Å; Y418-F422 HydrophobicContact CD1-CD2 4.49Å; Y418-F422 AromaticContact CD1-CE2 3.66Å; Y418-F422 HydrophobicContact CD1-CE2 3.66Å; Y418-F422 HydrophobicContact CD1-CZ 4.43Å; Y418-F422 HydrophobicContact CG-CE2 4.2Å; Y418-F422 WeakPolarHBondContact O-CD2 3.33Å; Y418-F422 PolarHBondContact O-N 3.49Å
419	G	32.4	Very low	33.1	Very low	45 Å²	45	87.6 Å²	87.6	46%	0.464	45%	0.453	S	S	.	.	H	α-helix	trans	-55.5	-25.9	179.9	0	0	0	0	0	114	S415 W416 D423	S415-G419 PolarHBondContact O-N 2.87Å; W416-G419 PolarHBondContact O-N 3.21Å; G419-D423 PolarHBondContact O-N 3.34Å
420	R	31.1	Very low	33.4	Very low	141 Å²	141	81.6 Å²	81.6	53%	0.532	42%	0.421	S	S	.	.	H	α-helix	trans	-77.2	-43.4	173	-84.7	-171.2	166.8	-171.9	-3	114.4	W416 Y418 F422 D423 N426	W416-R420 PolarHBondContact O-N 3.48Å; Y418-R420 PolarHBondContact O-N 2.86Å; R420-F422 PolarHBondContact O-N 2.75Å; R420-D423 PolarHBondContact O-N 3.48Å; R420-N426 PolarHBondContact O-ND2 3.46Å
421	V	34.7	Very low	33.6	Very low	13 Å²	13	79.7 Å²	79.7	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-65	-29.5	175.8	-179.7	0	0	0	0	110.7	L356 Y418	L356-V421 HydrophobicContact CD1-CG2 4.27Å; Y418-V421 PolarHBondContact O-N 3.33Å
422	F	36.7	Very low	34	Very low	66 Å²	66	79.9 Å²	79.9	29%	0.289	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.5	-179.2	-60.6	-58.2	0	0	0	114.8	L404 Y418 R420 D424 F427	L404-F422 HydrophobicContact CD1-CE1 3.93Å; L404-F422 HydrophobicContact CD1-CZ 4.33Å; L404-F422 HydrophobicContact CD2-CE1 4.13Å; L404-F422 HydrophobicContact CD2-CZ 3.65Å; L404-F422 HydrophobicContact CG-CE1 4.49Å; L404-F422 HydrophobicContact CG-CZ 4.45Å; Y418-F422 HydrophobicContact CD1-CD2 4.49Å; Y418-F422 AromaticContact CD1-CE2 3.66Å; Y418-F422 HydrophobicContact CD1-CE2 3.66Å; Y418-F422 HydrophobicContact CD1-CZ 4.43Å; Y418-F422 HydrophobicContact CG-CE2 4.2Å; Y418-F422 WeakPolarHBondContact O-CD2 3.33Å; Y418-F422 PolarHBondContact O-N 3.49Å; R420-F422 PolarHBondContact O-N 2.75Å; F422-D424 PolarHBondContact O-N 3.39Å; F422-F427 HydrophobicContact CD1-CD2 4.28Å
423	D	37.3	Very low	34.8	Very low	70 Å²	70	81.8 Å²	81.8	37%	0.374	41%	0.411	S	S	.	.	S	Bend	trans	-56.5	139.5	165.8	102.4	9.8	0	0	0	108.1	G419 R420 K425 N426 F427	G419-D423 PolarHBondContact O-N 3.34Å; R420-D423 PolarHBondContact O-N 3.48Å; D423-K425 PolarHBondContact O-N 3.47Å; D423-K425 WeakPolarHBondContact OD1-CA 3.32Å; D423-K425 VanDerWaalsContact OD1-CB 3.23Å; D423-K425 WeakPolarHBondContact OD1-CB 3.22Å; D423-K425 PolarHBondContact OD1-N 3.18Å; D423-N426 PolarHBondContact O-N 3.42Å; D423-N426 WeakPolarHBondContact OD1-CB 3.4Å; D423-N426 PolarHBondContact OD1-N 3.03Å; D423-F427 PolarHBondContact O-N 3.39Å
424	D	32.3	Very low	35.4	Very low	138 Å²	138	77.8 Å²	77.8	74%	0.738	38%	0.383	S	S	*	.	H	α-helix	trans	-57.8	-26.5	-172.4	-82.2	-31.4	0	0	0	112	F422 L428	F422-D424 PolarHBondContact O-N 3.39Å; D424-L428 VanDerWaalsContact O-CB 3.29Å; D424-L428 WeakPolarHBondContact O-CB 3.27Å; D424-L428 PolarHBondContact O-N 2.99Å
425	K	38.6	Very low	36	Very low	172 Å²	172	75.9 Å²	75.9	75%	0.748	37%	0.371	S	S	*	.	H	α-helix	trans	-70.4	-47.7	175.8	-86.1	-178.4	173.1	179.8	0	111.5	D423 L428 H429	D423-K425 PolarHBondContact O-N 3.47Å; D423-K425 WeakPolarHBondContact OD1-CA 3.32Å; D423-K425 VanDerWaalsContact OD1-CB 3.23Å; D423-K425 WeakPolarHBondContact OD1-CB 3.22Å; D423-K425 PolarHBondContact OD1-N 3.18Å; K425-L428 PolarHBondContact O-N 3.45Å; K425-H429 WeakPolarHBondContact O-CB 3.37Å; K425-H429 PolarHBondContact O-N 2.91Å
426	N	37	Very low	36.8	Very low	38 Å²	38	75.8 Å²	75.8	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-44.1	179.5	-81.5	-16.1	0	0	0	110.5	D371 R420 D423 H429 L430	D371-N426 PolarHBondContact OD1-ND2 3.44Å; D371-N426 PolarHBondContact OD2-ND2 3.44Å; D371-N426 VanDerWaalsContact OD2-ND2 3.09Å; R420-N426 PolarHBondContact O-ND2 3.46Å; D423-N426 PolarHBondContact O-N 3.42Å; D423-N426 WeakPolarHBondContact OD1-CB 3.4Å; D423-N426 PolarHBondContact OD1-N 3.03Å; N426-H429 PolarHBondContact O-N 2.78Å; N426-L430 WeakPolarHBondContact O-CB 3.04Å; N426-L430 WeakPolarHBondContact O-CG 3.27Å; N426-L430 PolarHBondContact O-N 2.73Å
427	F	38.1	Very low	37.4	Very low	74 Å²	74	70.1 Å²	70.1	33%	0.325	35%	0.346	S	S	.	.	H	α-helix	trans	-65.8	-40.1	174.8	-168.2	-97.3	0	0	0	112.3	F422 D423 H429 L430 T431	F422-F427 HydrophobicContact CD1-CD2 4.28Å; D423-F427 PolarHBondContact O-N 3.39Å; F427-H429 VanDerWaalsContact C-N 3.31Å; F427-H429 PolarHBondContact O-N 3.05Å; F427-L430 PolarHBondContact O-N 3.42Å; F427-T431 HydrophobicContact CD1-CG2 3.94Å; F427-T431 HydrophobicContact CE1-CG2 3.49Å; F427-T431 VanDerWaalsContact CE1-CG2 3.49Å; F427-T431 HydrophobicContact CE2-CG2 4.45Å; F427-T431 HydrophobicContact CZ-CG2 3.79Å; F427-T431 WeakPolarHBondContact O-CG2 3.24Å; F427-T431 PolarHBondContact O-N 3.39Å; F427-T431 PolarHBondContact O-OG1 3.48Å; F427-T431 VanDerWaalsContact O-OG1 3.05Å
428	L	32.7	Very low	38.1	Very low	103 Å²	103	70.1 Å²	70.1	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-42.2	172.3	-123.3	93	0	0	0	111.8	D424 K425 L430 T431 N432	D424-L428 VanDerWaalsContact O-CB 3.29Å; D424-L428 WeakPolarHBondContact O-CB 3.27Å; D424-L428 PolarHBondContact O-N 2.99Å; K425-L428 PolarHBondContact O-N 3.45Å; L428-L430 VanDerWaalsContact C-N 3.35Å; L428-T431 WeakPolarHBondContact CA-OG1 3.49Å; L428-T431 PolarHBondContact O-N 3.05Å; L428-T431 PolarHBondContact O-OG1 3.09Å; L428-T431 VanDerWaalsContact O-OG1 3.05Å; L428-N432 WeakPolarHBondContact O-CB 3.33Å; L428-N432 PolarHBondContact O-N 3.05Å; L428-N432 VanDerWaalsContact O-N 3.09Å
429	H	36.7	Very low	38.4	Very low	87 Å²	87	68.5 Å²	68.5	40%	0.403	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-42.9	-179.6	-142.6	76.9	0	0	0	111.2	K425 N426 F427 K433 Y434	K425-H429 WeakPolarHBondContact O-CB 3.37Å; K425-H429 PolarHBondContact O-N 2.91Å; N426-H429 PolarHBondContact O-N 2.78Å; F427-H429 VanDerWaalsContact C-N 3.31Å; F427-H429 PolarHBondContact O-N 3.05Å; H429-K433 PolarHBondContact O-N 2.92Å; H429-Y434 AromaticContact CD2-CD2 3.72Å; H429-Y434 AromaticContact CD2-CE2 3.37Å; H429-Y434 WeakPolarHBondContact CD2-CE2 3.36Å; H429-Y434 AromaticContact NE2-CE2 3.62Å
430	L	38.6	Very low	38.9	Very low	25 Å²	25	67.8 Å²	67.8	13%	0.131	32%	0.323	C	S	.	.	I	π-helix	trans	-62.3	-48.7	174.5	-74.3	167.4	0	0	0	111.7	L378 N426 F427 L428 N432 Y434 H435 F438	L378-L430 HydrophobicContact CD1-CD2 3.85Å; N426-L430 WeakPolarHBondContact O-CB 3.04Å; N426-L430 WeakPolarHBondContact O-CG 3.27Å; N426-L430 PolarHBondContact O-N 2.73Å; F427-L430 PolarHBondContact O-N 3.42Å; L428-L430 VanDerWaalsContact C-N 3.35Å; L430-N432 PolarHBondContact O-N 2.7Å; L430-Y434 CarbonylContact O-C 3.57Å; L430-Y434 PolarHBondContact O-N 3.45Å; L430-H435 WeakPolarHBondContact O-CA 3.36Å; L430-H435 WeakPolarHBondContact O-CB 3.37Å; L430-H435 PolarHBondContact O-N 3.38Å; L430-F438 HydrophobicContact CD2-CB 3.93Å; L430-F438 HydrophobicContact CD2-CD2 3.73Å; L430-F438 HydrophobicContact CD2-CE2 4.43Å; L430-F438 HydrophobicContact CD2-CG 3.89Å
431	T	36.4	Very low	39.5	Very low	55 Å²	55	62 Å²	62	34%	0.337	30%	0.302	S	S	.	.	I	π-helix	trans	-66.7	-34.4	-177.9	51.3	0	0	0	0	114.3	F427 L428	F427-T431 HydrophobicContact CD1-CG2 3.94Å; F427-T431 HydrophobicContact CE1-CG2 3.49Å; F427-T431 VanDerWaalsContact CE1-CG2 3.49Å; F427-T431 HydrophobicContact CE2-CG2 4.45Å; F427-T431 HydrophobicContact CZ-CG2 3.79Å; F427-T431 WeakPolarHBondContact O-CG2 3.24Å; F427-T431 PolarHBondContact O-N 3.39Å; F427-T431 PolarHBondContact O-OG1 3.48Å; F427-T431 VanDerWaalsContact O-OG1 3.05Å; L428-T431 WeakPolarHBondContact CA-OG1 3.49Å; L428-T431 PolarHBondContact O-N 3.05Å; L428-T431 PolarHBondContact O-OG1 3.09Å; L428-T431 VanDerWaalsContact O-OG1 3.05Å
432	N	41.5	Very low	39.8	Very low	130 Å²	130	63.2 Å²	63.2	70%	0.695	31%	0.311	S	S	*	.	I	π-helix	trans	-94.1	-39.4	-173.7	-73.6	-33.2	0	0	0	114.4	L428 L430	L428-N432 WeakPolarHBondContact O-CB 3.33Å; L428-N432 PolarHBondContact O-N 3.05Å; L428-N432 VanDerWaalsContact O-N 3.09Å; L430-N432 PolarHBondContact O-N 2.7Å
433	K	43.1	Very low	39.9	Very low	121 Å²	121	62 Å²	62	53%	0.526	31%	0.31	S	S	.	.	I	π-helix	trans	-108.5	-34.5	-171.7	-161.5	-179.1	176.5	-161.3	0	113.3	H429	H429-K433 PolarHBondContact O-N 2.92Å
434	Y	41	Very low	40	Very low	9 Å²	9	60.9 Å²	60.9	4%	0.035	30%	0.301	C	S	.	.	I	π-helix	trans	-124	8.5	-166.9	-57.2	-44.5	0	0	0	115.4	L378 H429 L430 D436 R437 F438	L378-Y434 HydrophobicContact CB-CD1 4.37Å; L378-Y434 HydrophobicContact CB-CD2 4.48Å; L378-Y434 HydrophobicContact CB-CG 4.17Å; L378-Y434 HydrophobicContact CD1-CD2 3.88Å; L378-Y434 HydrophobicContact CD1-CG 4.01Å; H429-Y434 AromaticContact CD2-CD2 3.72Å; H429-Y434 AromaticContact CD2-CE2 3.37Å; H429-Y434 WeakPolarHBondContact CD2-CE2 3.36Å; H429-Y434 AromaticContact NE2-CE2 3.62Å; L430-Y434 CarbonylContact O-C 3.57Å; L430-Y434 PolarHBondContact O-N 3.45Å; Y434-D436 VanDerWaalsContact C-N 3.26Å; Y434-D436 PolarHBondContact O-N 2.73Å; Y434-D436 VanDerWaalsContact O-N 3.17Å; Y434-R437 CarbonylContact O-C 3.6Å; Y434-R437 WeakPolarHBondContact O-CA 3.49Å; Y434-R437 WeakPolarHBondContact O-CB 3.3Å; Y434-R437 PolarHBondContact O-N 3.4Å; Y434-F438 PolarHBondContact O-N 3.43Å
435	H	43.3	Very low	40.2	Very low	40 Å²	40	57 Å²	57	19%	0.185	28%	0.282	C	S	.	.	H	α-helix	trans	-51.5	-47.9	-172.8	179.6	73.7	0	0	0	112.2	S396 L430 R437 F438 I439	S396-H435 PolarHBondContact OG-NE2 3.47Å; L430-H435 WeakPolarHBondContact O-CA 3.36Å; L430-H435 WeakPolarHBondContact O-CB 3.37Å; L430-H435 PolarHBondContact O-N 3.38Å; H435-R437 VanDerWaalsContact C-N 3.32Å; H435-R437 PolarHBondContact O-N 3.18Å; H435-F438 PolarHBondContact O-N 2.62Å; H435-I439 WeakPolarHBondContact NE2-CD1 3.28Å; H435-I439 WeakPolarHBondContact O-CG1 2.84Å; H435-I439 PolarHBondContact O-N 3.17Å
436	D	43.2	Very low	40.1	Very low	43 Å²	43	50 Å²	50	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-40.4	179.5	-78.2	-9	0	0	0	112.2	A386 K387 I390 Y434 F440	A386-D436 HydrophobicContact CB-CB 3.79Å; A386-D436 WeakPolarHBondContact CB-O 3.1Å; K387-D436 WeakPolarHBondContact CE-OD2 3.34Å; K387-D436 WeakPolarHBondContact CG-OD2 3.28Å; I390-D436 HydrophobicContact CD1-CB 3.35Å; I390-D436 WeakPolarHBondContact CD1-O 3.47Å; I390-D436 WeakPolarHBondContact CD1-OD1 3.47Å; Y434-D436 VanDerWaalsContact C-N 3.26Å; Y434-D436 PolarHBondContact O-N 2.73Å; Y434-D436 VanDerWaalsContact O-N 3.17Å; D436-F440 WeakPolarHBondContact O-CB 3.2Å; D436-F440 PolarHBondContact O-N 3.18Å; D436-F440 VanDerWaalsContact O-N 3.15Å
437	R	44.1	Very low	40	Very low	30 Å²	30	50.2 Å²	50.2	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-73.3	-38.2	-179.4	-63.2	161.4	156.9	-158.4	-12.3	111.3	L378 I381 A386 Y434 H435 F440 F441	L378-R437 HydrophobicContact CB-CB 4.22Å; L378-R437 VanDerWaalsContact CD2-C 3.41Å; L378-R437 HydrophobicContact CD2-CB 3.39Å; L378-R437 HydrophobicContact CG-CB 4.39Å; L378-R437 WeakPolarHBondContact O-CD 3.21Å; L378-R437 PolarHBondContact O-NE 3.47Å; L378-R437 PolarHBondContact O-NH1 3.12Å; L378-R437 VanDerWaalsContact O-NH1 3.14Å; I381-R437 HydrophobicContact CB-CB 4.15Å; I381-R437 HydrophobicContact CB-CG 3.94Å; I381-R437 HydrophobicContact CD1-CB 4.28Å; I381-R437 HydrophobicContact CG2-CB 4.19Å; I381-R437 HydrophobicContact CG2-CG 3.9Å; I381-R437 PolarHBondContact O-NE 2.93Å; I381-R437 PolarHBondContact O-NH2 3.31Å; A386-R437 HydrophobicContact CB-CG 4.43Å; Y434-R437 CarbonylContact O-C 3.6Å; Y434-R437 WeakPolarHBondContact O-CA 3.49Å; Y434-R437 WeakPolarHBondContact O-CB 3.3Å; Y434-R437 PolarHBondContact O-N 3.4Å; H435-R437 VanDerWaalsContact C-N 3.32Å; H435-R437 PolarHBondContact O-N 3.18Å; R437-F440 WeakPolarHBondContact O-CB 3.23Å; R437-F440 PolarHBondContact O-N 2.95Å; R437-F441 PolarHBondContact O-N 2.95Å
438	F	45.4	Very low	39.8	Very low	33 Å²	33	50 Å²	50	15%	0.145	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-43.4	178.5	-175.5	-101.9	0	0	0	111.6	F374 L378 L400 L430 Y434 H435 F440 F441 C442	F374-F438 HydrophobicContact CD1-CD2 4.38Å; F374-F438 HydrophobicContact CD1-CE2 4.28Å; F374-F438 HydrophobicContact CE1-CD2 4.26Å; F374-F438 AromaticContact CE1-CE2 3.8Å; F374-F438 HydrophobicContact CE1-CE2 3.8Å; F374-F438 HydrophobicContact CZ-CE2 4.29Å; L378-F438 HydrophobicContact CD2-CB 3.94Å; L378-F438 VanDerWaalsContact CD2-N 3.26Å; L400-F438 HydrophobicContact CD2-CE1 4.33Å; L430-F438 HydrophobicContact CD2-CB 3.93Å; L430-F438 HydrophobicContact CD2-CD2 3.73Å; L430-F438 HydrophobicContact CD2-CE2 4.43Å; L430-F438 HydrophobicContact CD2-CG 3.89Å; Y434-F438 PolarHBondContact O-N 3.43Å; H435-F438 PolarHBondContact O-N 2.62Å; F438-F440 VanDerWaalsContact C-N 3.28Å; F438-F440 PolarHBondContact O-N 3.2Å; F438-F441 WeakPolarHBondContact O-CB 3.03Å; F438-F441 PolarHBondContact O-N 3.49Å; F438-C442 VanDerWaalsContact CE1-SG 3.6Å; F438-C442 VanDerWaalsContact CZ-SG 3.6Å; F438-C442 PolarHBondContact O-N 2.83Å; F438-C442 PolarHBondContact O-SG 3.43Å
439	I	43.1	Very low	40	Very low	5 Å²	5	54.6 Å²	54.6	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-42.1	172.6	-65.2	163.6	0	0	0	110.6	I390 S396 L400 H435 C442 C443	I390-I439 HydrophobicContact CG2-CB 4.12Å; I390-I439 HydrophobicContact CG2-CG2 3.41Å; I390-I439 VanDerWaalsContact CG2-CG2 3.41Å; S396-I439 VanDerWaalsContact CB-CD1 3.42Å; S396-I439 WeakPolarHBondContact OG-CD1 3.48Å; L400-I439 HydrophobicContact CD1-CD1 4.37Å; L400-I439 HydrophobicContact CD1-CG1 3.87Å; H435-I439 WeakPolarHBondContact NE2-CD1 3.28Å; H435-I439 WeakPolarHBondContact O-CG1 2.84Å; H435-I439 PolarHBondContact O-N 3.17Å; I439-C442 PolarHBondContact O-N 3.26Å; I439-C443 VanDerWaalsContact O-CB 3.3Å; I439-C443 WeakPolarHBondContact O-CB 3.33Å; I439-C443 PolarHBondContact O-N 2.92Å; I439-C443 PolarHBondContact O-SG 2.98Å; I439-C443 VanDerWaalsContact O-SG 3.42Å
440	F	41.8	Very low	39.9	Very low	31 Å²	31	56.3 Å²	56.3	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-47.4	175.9	179.8	-89.4	0	0	0	111.7	I381 A386 R389 D436 R437 F438 C442 C443 Y444 V445	I381-F440 HydrophobicContact CD1-CD1 3.77Å; I381-F440 HydrophobicContact CD1-CE1 4.46Å; I381-F440 HydrophobicContact CG1-CD1 4.11Å; I381-F440 HydrophobicContact CG1-CE1 4.44Å; I381-F440 HydrophobicContact CG2-CD1 4.09Å; I381-F440 HydrophobicContact CG2-CG 4.37Å; A386-F440 HydrophobicContact CB-CB 4.5Å; R389-F440 HydrophobicContact CB-CD2 4.41Å; R389-F440 HydrophobicContact CG-CE2 4.46Å; D436-F440 WeakPolarHBondContact O-CB 3.2Å; D436-F440 PolarHBondContact O-N 3.18Å; D436-F440 VanDerWaalsContact O-N 3.15Å; R437-F440 WeakPolarHBondContact O-CB 3.23Å; R437-F440 PolarHBondContact O-N 2.95Å; F438-F440 VanDerWaalsContact C-N 3.28Å; F438-F440 PolarHBondContact O-N 3.2Å; F440-C442 PolarHBondContact O-N 3.2Å; F440-C443 PolarHBondContact O-N 2.86Å; F440-Y444 HydrophobicContact CD2-CD2 4.01Å; F440-Y444 HydrophobicContact CD2-CG 4.33Å; F440-Y444 HydrophobicContact CE2-CD2 4.36Å; F440-Y444 HydrophobicContact CE2-CG 4.26Å; F440-Y444 WeakPolarHBondContact O-CA 3.49Å; F440-Y444 WeakPolarHBondContact O-CB 3.22Å; F440-Y444 PolarHBondContact O-N 2.89Å; F440-V445 HydrophobicContact CD1-CG2 4.39Å; F440-V445 HydrophobicContact CE1-CG2 4.13Å
441	F	43.5	Very low	39.3	Very low	18 Å²	18	62.3 Å²	62.3	8%	0.079	30%	0.297	C	S	.	.	I	π-helix	trans	-55.1	-53.5	174.3	176.8	-100.3	0	0	0	110.8	F374 L377 R437 F438 C443 V445 I446	F374-F441 AromaticContact CE1-CD1 3.86Å; F374-F441 HydrophobicContact CE1-CD1 3.86Å; F374-F441 AromaticContact CE1-CE1 3.57Å; F374-F441 HydrophobicContact CE1-CE1 3.57Å; F374-F441 HydrophobicContact CE1-CZ 4.24Å; F374-F441 HydrophobicContact CZ-CE1 4.22Å; L377-F441 HydrophobicContact CD1-CD2 4.18Å; L377-F441 HydrophobicContact CD1-CE2 3.6Å; L377-F441 HydrophobicContact CD1-CZ 4.09Å; R437-F441 PolarHBondContact O-N 2.95Å; F438-F441 WeakPolarHBondContact O-CB 3.03Å; F438-F441 PolarHBondContact O-N 3.49Å; F441-C443 PolarHBondContact O-N 3.25Å; F441-V445 HydrophobicContact CD2-CB 3.76Å; F441-V445 HydrophobicContact CD2-CG1 3.88Å; F441-V445 HydrophobicContact CD2-CG2 4.04Å; F441-V445 HydrophobicContact CE2-CB 4.14Å; F441-V445 HydrophobicContact CE2-CG1 3.8Å; F441-V445 HydrophobicContact CG-CB 4.44Å; F441-V445 WeakPolarHBondContact O-CA 3.3Å; F441-V445 WeakPolarHBondContact O-CB 3.49Å; F441-V445 PolarHBondContact O-N 3.42Å; F441-I446 HydrophobicContact CD1-CD1 4.12Å; F441-I446 HydrophobicContact CD1-CG1 4.4Å; F441-I446 HydrophobicContact CE1-CD1 3.87Å; F441-I446 HydrophobicContact CE1-CG1 4.1Å; F441-I446 HydrophobicContact CZ-CG1 4.4Å; F441-I446 WeakPolarHBondContact O-CG1 3.08Å; F441-I446 PolarHBondContact O-N 3.21Å
442	C	41.8	Very low	38.8	Very low	40 Å²	40	67.2 Å²	67.2	27%	0.27	32%	0.32	S	S	.	.	I	π-helix	trans	-63.6	-37.1	-176.4	-69.4	0	0	0	0	114.6	F438 I439 F440 I446	F438-C442 VanDerWaalsContact CE1-SG 3.6Å; F438-C442 VanDerWaalsContact CZ-SG 3.6Å; F438-C442 PolarHBondContact O-N 2.83Å; F438-C442 PolarHBondContact O-SG 3.43Å; I439-C442 PolarHBondContact O-N 3.26Å; F440-C442 PolarHBondContact O-N 3.2Å; C442-I446 VanDerWaalsContact CA-CD1 3.48Å; C442-I446 HydrophobicContact CB-CD1 4.17Å; C442-I446 WeakPolarHBondContact O-CB 3.45Å
443	C	37.7	Very low	38	Very low	40 Å²	40	62 Å²	62	27%	0.27	30%	0.298	S	S	.	.	I	π-helix	trans	-94	-23.6	-174.4	-64.4	0	0	0	0	113.8	I439 F440 F441	I439-C443 VanDerWaalsContact O-CB 3.3Å; I439-C443 WeakPolarHBondContact O-CB 3.33Å; I439-C443 PolarHBondContact O-N 2.92Å; I439-C443 PolarHBondContact O-SG 2.98Å; I439-C443 VanDerWaalsContact O-SG 3.42Å; F440-C443 PolarHBondContact O-N 2.86Å; F441-C443 PolarHBondContact O-N 3.25Å
444	Y	39.6	Very low	37.5	Very low	47 Å²	47	58.7 Å²	58.7	18%	0.184	29%	0.287	C	S	.	.	I	π-helix	trans	-127	-20.1	-169.8	-68.9	-86.2	0	0	0	114.8	F440 K450	F440-Y444 HydrophobicContact CD2-CD2 4.01Å; F440-Y444 HydrophobicContact CD2-CG 4.33Å; F440-Y444 HydrophobicContact CE2-CD2 4.36Å; F440-Y444 HydrophobicContact CE2-CG 4.26Å; F440-Y444 WeakPolarHBondContact O-CA 3.49Å; F440-Y444 WeakPolarHBondContact O-CB 3.22Å; F440-Y444 PolarHBondContact O-N 2.89Å; Y444-K450 HydrophobicContact CD1-CD 4.49Å; Y444-K450 HydrophobicContact CE1-CD 4.32Å
445	V	36.9	Very low	37	Very low	55 Å²	55	60.9 Å²	60.9	33%	0.333	31%	0.312	S	S	.	.	I	π-helix	trans	-92	-36.7	172.5	-178.7	0	0	0	0	110.4	F440 F441	F440-V445 HydrophobicContact CD1-CG2 4.39Å; F440-V445 HydrophobicContact CE1-CG2 4.13Å; F441-V445 HydrophobicContact CD2-CB 3.76Å; F441-V445 HydrophobicContact CD2-CG1 3.88Å; F441-V445 HydrophobicContact CD2-CG2 4.04Å; F441-V445 HydrophobicContact CE2-CB 4.14Å; F441-V445 HydrophobicContact CE2-CG1 3.8Å; F441-V445 HydrophobicContact CG-CB 4.44Å; F441-V445 WeakPolarHBondContact O-CA 3.3Å; F441-V445 WeakPolarHBondContact O-CB 3.49Å; F441-V445 PolarHBondContact O-N 3.42Å
446	I	36.7	Very low	36.2	Very low	26 Å²	26	62.9 Å²	62.9	13%	0.133	33%	0.327	C	S	.	.	S	Bend	trans	-76.6	-25	-178.9	-61.2	-179.3	0	0	0	113.1	H351 A355 F441 C442 P448	H351-I446 HydrophobicContact CB-CG2 4.13Å; H351-I446 WeakPolarHBondContact O-CG2 3.2Å; A355-I446 HydrophobicContact CB-CB 3.81Å; A355-I446 HydrophobicContact CB-CD1 3.31Å; A355-I446 HydrophobicContact CB-CG1 3.29Å; A355-I446 HydrophobicContact CB-CG2 3.35Å; F441-I446 HydrophobicContact CD1-CD1 4.12Å; F441-I446 HydrophobicContact CD1-CG1 4.4Å; F441-I446 HydrophobicContact CE1-CD1 3.87Å; F441-I446 HydrophobicContact CE1-CG1 4.1Å; F441-I446 HydrophobicContact CZ-CG1 4.4Å; F441-I446 WeakPolarHBondContact O-CG1 3.08Å; F441-I446 PolarHBondContact O-N 3.21Å; C442-I446 VanDerWaalsContact CA-CD1 3.48Å; C442-I446 HydrophobicContact CB-CD1 4.17Å; C442-I446 WeakPolarHBondContact O-CB 3.45Å; I446-P448 WeakPolarHBondContact O-CD 3.35Å
447	D	35.2	Very low	35.5	Very low	43 Å²	43	65.1 Å²	65.1	23%	0.23	33%	0.332	C	S	.	.			trans	-93.8	95.3	178.5	-177.5	4.4	0	0	0	111.5	R449 K450	D447-R449 PolarHBondContact O-N 2.9Å; D447-R449 VanDerWaalsContact OD1-CB 3.23Å; D447-R449 WeakPolarHBondContact OD1-CB 3.4Å; D447-R449 PolarHBondContact OD1-N 3.39Å; D447-K450 CarbonylContact O-C 3.46Å; D447-K450 PolarHBondContact O-N 3.15Å
448	P	33.7	Very low	34.9	Very low	70 Å²	70	65.3 Å²	65.3	46%	0.455	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.9	-15.5	178	24.7	-33.9	0	0	0	113.9	I446 K450 R451 L452	I446-P448 WeakPolarHBondContact O-CD 3.35Å; P448-K450 PolarHBondContact O-N 3.32Å; P448-R451 PolarHBondContact O-N 2.92Å; P448-R451 VanDerWaalsContact O-N 3.17Å; P448-L452 HydrophobicContact CB-CB 4.44Å; P448-L452 HydrophobicContact CB-CD1 3.68Å; P448-L452 HydrophobicContact CB-CG 3.91Å
449	R	37.1	Very low	34.2	Very low	198 Å²	198	68.3 Å²	68.3	75%	0.747	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17.5	170	-62.4	-178.3	170.7	-174.5	-5.3	111.3	D447	D447-R449 PolarHBondContact O-N 2.9Å; D447-R449 VanDerWaalsContact OD1-CB 3.23Å; D447-R449 WeakPolarHBondContact OD1-CB 3.4Å; D447-R449 PolarHBondContact OD1-N 3.39Å
450	K	34	Very low	33.6	Very low	124 Å²	124	75.6 Å²	75.6	54%	0.539	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-116.3	64	166.6	-66.2	-170	-177.2	175.9	0	111.6	Y444 D447 P448	Y444-K450 HydrophobicContact CD1-CD 4.49Å; Y444-K450 HydrophobicContact CE1-CD 4.32Å; D447-K450 CarbonylContact O-C 3.46Å; D447-K450 PolarHBondContact O-N 3.15Å; P448-K450 PolarHBondContact O-N 3.32Å
451	R	26	Very low	33.2	Very low	151 Å²	151	79.1 Å²	79.1	57%	0.57	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	90.3	161.7	-50.3	176.3	-179.8	-171.4	-1.8	113.8	P448 G453 V454	P448-R451 PolarHBondContact O-N 2.92Å; P448-R451 VanDerWaalsContact O-N 3.17Å; R451-G453 PolarHBondContact O-N 3.1Å; R451-V454 PolarHBondContact O-N 2.68Å
452	L	25.6	Very low	32.5	Very low	158 Å²	158	80 Å²	80	83%	0.827	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	19.7	148.3	-119.6	154.1	0	0	0	114.4	P448	P448-L452 HydrophobicContact CB-CB 4.44Å; P448-L452 HydrophobicContact CB-CD1 3.68Å; P448-L452 HydrophobicContact CB-CG 3.91Å
453	G	26.5	Very low	32	Very low	21 Å²	21	85 Å²	85	22%	0.216	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	8.9	178.3	0	0	0	0	0	113.5	R451 G455 V456 W457	R451-G453 PolarHBondContact O-N 3.1Å; G453-G455 PolarHBondContact O-N 3.17Å; G453-V456 CarbonylContact O-C 3.51Å; G453-V456 PolarHBondContact O-N 3.03Å; G453-W457 VanDerWaalsContact O-CA 3.3Å; G453-W457 WeakPolarHBondContact O-CA 3.37Å; G453-W457 WeakPolarHBondContact O-CB 3.37Å; G453-W457 PolarHBondContact O-N 3.43Å
454	V	31	Very low	31.5	Very low	51 Å²	51	87.5 Å²	87.5	31%	0.309	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-39.9	-174	-176.9	0	0	0	0	112.7	R451 A458	R451-V454 PolarHBondContact O-N 2.68Å; V454-A458 WeakPolarHBondContact O-CB 3.43Å; V454-A458 PolarHBondContact O-N 3.14Å
455	G	30.1	Very low	31.4	Very low	54 Å²	54	90.5 Å²	90.5	56%	0.557	48%	0.481	S	S	*	.	H	α-helix	trans	-62.6	-43.2	172.1	0	0	0	0	0	112.4	G453 M459	G453-G455 PolarHBondContact O-N 3.17Å; G455-M459 VanDerWaalsContact O-CG 3.28Å; G455-M459 WeakPolarHBondContact O-CG 3.47Å; G455-M459 PolarHBondContact O-N 3.06Å
456	V	26.6	Very low	31.3	Very low	82 Å²	82	92.5 Å²	92.5	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-77.6	-26.4	-178.4	-178.5	0	0	0	0	113.5	G453 M459 K460	G453-V456 CarbonylContact O-C 3.51Å; G453-V456 PolarHBondContact O-N 3.03Å; V456-M459 HydrophobicContact CB-CE 4.31Å; V456-M459 HydrophobicContact CG2-CE 4.2Å; V456-K460 PolarHBondContact O-N 3.35Å
457	W	29.5	Very low	31.2	Very low	90 Å²	90	94 Å²	94	34%	0.341	51%	0.506	S	S	.	.	H	α-helix	trans	-95.1	-33.2	-175.5	-173.7	92.1	0	0	0	111.4	G453 M459 K460 H461	G453-W457 VanDerWaalsContact O-CA 3.3Å; G453-W457 WeakPolarHBondContact O-CA 3.37Å; G453-W457 WeakPolarHBondContact O-CB 3.37Å; G453-W457 PolarHBondContact O-N 3.43Å; W457-M459 VanDerWaalsContact C-N 3.28Å; W457-K460 PolarHBondContact O-N 2.9Å; W457-H461 AromaticContact CD1-CD2 3.63Å; W457-H461 AromaticContact CE2-CD2 3.94Å; W457-H461 HydrophobicContact CZ2-CB 4.23Å; W457-H461 AromaticContact NE1-CD2 3.41Å; W457-H461 PolarHBondContact NE1-CD2 3.27Å; W457-H461 PolarHBondContact O-N 3.4Å
458	A	30.7	Very low	31.3	Very low	34 Å²	34	99.7 Å²	99.7	28%	0.281	53%	0.531	S	S	.	.	H	α-helix	trans	-61.3	-40.2	167	0	0	0	0	0	110.6	V454 K460 G462	V454-A458 WeakPolarHBondContact O-CB 3.43Å; V454-A458 PolarHBondContact O-N 3.14Å; A458-K460 VanDerWaalsContact C-N 3.25Å; A458-K460 PolarHBondContact O-N 3.17Å; A458-G462 PolarHBondContact O-N 2.88Å; A458-G462 VanDerWaalsContact O-N 3.15Å
459	M	32.1	Very low	31.7	Very low	97 Å²	97	104.1 Å²	104.1	48%	0.478	55%	0.545	S	S	.	.	H	α-helix	trans	-59.9	-33.1	169.8	-75.4	-168.8	-62.3	0	0	113.1	G455 V456 W457 A475	G455-M459 VanDerWaalsContact O-CG 3.28Å; G455-M459 WeakPolarHBondContact O-CG 3.47Å; G455-M459 PolarHBondContact O-N 3.06Å; V456-M459 HydrophobicContact CB-CE 4.31Å; V456-M459 HydrophobicContact CG2-CE 4.2Å; W457-M459 VanDerWaalsContact C-N 3.28Å; M459-A475 HydrophobicContact SD-CB 4.4Å
460	K	30.4	Very low	31.9	Very low	157 Å²	157	96.4 Å²	96.4	68%	0.683	53%	0.528	S	S	*	.	H	α-helix	trans	-91.8	-28.8	-171	-146.8	176.1	-173.5	-179.1	0	113.7	V456 W457 A458	V456-K460 PolarHBondContact O-N 3.35Å; W457-K460 PolarHBondContact O-N 2.9Å; A458-K460 VanDerWaalsContact C-N 3.25Å; A458-K460 PolarHBondContact O-N 3.17Å
461	H	31.7	Very low	32.2	Very low	105 Å²	105	93 Å²	93	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-142.8	17.5	-166.7	-58.4	-51.4	0	0	0	114.5	R385 W457	R385-H461 PolarHBondContact NH2-O 3.26Å; W457-H461 AromaticContact CD1-CD2 3.63Å; W457-H461 AromaticContact CE2-CD2 3.94Å; W457-H461 HydrophobicContact CZ2-CB 4.23Å; W457-H461 AromaticContact NE1-CD2 3.41Å; W457-H461 PolarHBondContact NE1-CD2 3.27Å; W457-H461 PolarHBondContact O-N 3.4Å
462	G	29	Very low	33	Very low	36 Å²	36	93.9 Å²	93.9	37%	0.371	52%	0.518	S	S	.	.			trans	-90.3	126	171.6	0	0	0	0	0	112.6	A458	A458-G462 PolarHBondContact O-N 2.88Å; A458-G462 VanDerWaalsContact O-N 3.15Å
463	N	31.6	Very low	33.9	Very low	147 Å²	147	93.1 Å²	93.1	79%	0.786	51%	0.51	S	S	*	.			trans	-77	138.8	165.9	-112.5	-13.9	0	0	0	109.3	V465	N463-V465 PolarHBondContact O-N 3.37Å
464	P	28.4	Very low	34.6	Very low	92 Å²	92	95.1 Å²	95.1	60%	0.597	52%	0.518	S	S	*	.			trans	-79.3	115.6	-164.2	31.3	-33.2	0	0	0	111
465	V	36.8	Very low	35.1	Very low	109 Å²	109	94.1 Å²	94.1	66%	0.661	52%	0.515	S	S	*	.	S	Bend	trans	-112	-12.9	164	-175.5	0	0	0	0	111.6	T382 N463	T382-V465 HydrophobicContact CG2-CG2 4.22Å; N463-V465 PolarHBondContact O-N 3.37Å
466	Y	34.3	Very low	36	Very low	97 Å²	97	94.7 Å²	94.7	38%	0.38	51%	0.505	S	S	.	.	S	Bend	trans	-115.5	127.5	161.9	-71	-93.1	0	0	0	105.9	E379 E468	E379-Y466 HydrophobicContact CB-CE2 4.15Å; E379-Y466 WeakPolarHBondContact CB-OH 3.38Å; E379-Y466 WeakPolarHBondContact CG-OH 3.32Å; E379-Y466 WeakPolarHBondContact O-CE2 3.46Å; E379-Y466 WeakPolarHBondContact OE2-CE1 3.42Å; E379-Y466 PolarHBondContact OE2-OH 2.77Å; Y466-E468 PolarHBondContact O-N 3.43Å
467	G	34.1	Very low	36.8	Very low	59 Å²	59	92.9 Å²	92.9	61%	0.608	50%	0.499	S	S	*	.			trans	-42.4	133.2	-179.9	0	0	0	0	0	110.1	E469 G470	G467-E469 PolarHBondContact O-N 3.37Å; G467-G470 PolarHBondContact O-N 3.07Å
468	E	37.3	Very low	37.2	Very low	161 Å²	161	91.9 Å²	91.9	75%	0.752	50%	0.503	S	S	*	.	H	α-helix	trans	-47	-28.6	-169.7	-150.9	177.1	176.2	0	0	113.5	Y466 R472	Y466-E468 PolarHBondContact O-N 3.43Å; E468-R472 WeakPolarHBondContact O-CB 3.2Å; E468-R472 PolarHBondContact O-N 2.89Å
469	E	43.9	Very low	37.7	Very low	163 Å²	163	95.1 Å²	95.1	76%	0.762	51%	0.507	S	S	*	.	H	α-helix	trans	-58.3	-48.7	173.7	-84.3	175.9	143.1	0	0	114.2	G467 I471 R472 E473	G467-E469 PolarHBondContact O-N 3.37Å; E469-I471 PolarHBondContact O-N 3.3Å; E469-R472 PolarHBondContact O-N 3.15Å; E469-E473 WeakPolarHBondContact O-CG 3.39Å; E469-E473 PolarHBondContact O-N 3.29Å
470	G	40.1	Very low	38.2	Very low	37 Å²	37	99.8 Å²	99.8	38%	0.381	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-39.3	-172.8	0	0	0	0	0	113.3	G467 V474	G467-G470 PolarHBondContact O-N 3.07Å; G470-V474 PolarHBondContact O-N 3.4Å
471	I	39.8	Very low	38.7	Very low	52 Å²	52	100 Å²	100	27%	0.267	52%	0.521	S	S	.	.	H	α-helix	trans	-71.1	-38.4	177.1	-63.7	174	0	0	0	110.5	M380 E469 V474 A475	M380-I471 HydrophobicContact CE-CG1 4.4Å; M380-I471 HydrophobicContact CE-CG2 4.07Å; E469-I471 PolarHBondContact O-N 3.3Å; I471-V474 PolarHBondContact O-N 3.43Å; I471-A475 WeakPolarHBondContact O-CB 3.5Å; I471-A475 PolarHBondContact O-N 3.02Å; I471-A475 VanDerWaalsContact O-N 3.11Å
472	R	44.2	Very low	38.9	Very low	170 Å²	170	98.6 Å²	98.6	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-67.2	-38.2	178.8	-172.1	176	177.1	173.1	-1.7	111.8	E468 E469 L476	E468-R472 WeakPolarHBondContact O-CB 3.2Å; E468-R472 PolarHBondContact O-N 2.89Å; E469-R472 PolarHBondContact O-N 3.15Å; R472-L476 HydrophobicContact CG-CD1 3.86Å; R472-L476 HydrophobicContact CG-CG 4.4Å; R472-L476 VanDerWaalsContact O-CB 3.28Å; R472-L476 WeakPolarHBondContact O-CB 3.4Å; R472-L476 VanDerWaalsContact O-CG 3.28Å; R472-L476 WeakPolarHBondContact O-CG 3.18Å; R472-L476 PolarHBondContact O-N 3.5Å
473	E	43.4	Very low	39.2	Very low	142 Å²	142	104 Å²	104	66%	0.664	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-46.8	175	-79.8	-170.1	152.5	0	0	112.3	E469 L476 A477	E469-E473 WeakPolarHBondContact O-CG 3.39Å; E469-E473 PolarHBondContact O-N 3.29Å; E473-L476 PolarHBondContact O-N 3.48Å; E473-A477 VanDerWaalsContact O-CB 3.28Å; E473-A477 WeakPolarHBondContact O-CB 2.81Å; E473-A477 PolarHBondContact O-N 3.27Å
474	V	41.9	Very low	39.3	Very low	63 Å²	63	102.2 Å²	102.2	38%	0.382	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-44.2	179.1	176.6	0	0	0	0	111.3	G470 I471 A477 V478	G470-V474 PolarHBondContact O-N 3.4Å; I471-V474 PolarHBondContact O-N 3.43Å; V474-A477 PolarHBondContact O-N 3.05Å; V474-V478 WeakPolarHBondContact O-CG2 3.32Å; V474-V478 PolarHBondContact O-N 2.79Å
475	A	42.1	Very low	39.7	Very low	29 Å²	29	107.9 Å²	107.9	24%	0.24	56%	0.557	C	S	.	*	H	α-helix	trans	-65.1	-40.7	178.4	0	0	0	0	0	112.6	M459 I471 R479	M459-A475 HydrophobicContact SD-CB 4.4Å; I471-A475 WeakPolarHBondContact O-CB 3.5Å; I471-A475 PolarHBondContact O-N 3.02Å; I471-A475 VanDerWaalsContact O-N 3.11Å; A475-R479 PolarHBondContact O-N 2.94Å; A475-R479 VanDerWaalsContact O-N 3.08Å
476	L	47.6	Very low	39.9	Very low	67 Å²	67	107.8 Å²	107.8	35%	0.351	55%	0.552	S	S	.	*	H	α-helix	trans	-67.1	-37.4	174.6	-77.5	169.9	0	0	0	111.9	R472 E473 R479 R480	R472-L476 HydrophobicContact CG-CD1 3.86Å; R472-L476 HydrophobicContact CG-CG 4.4Å; R472-L476 VanDerWaalsContact O-CB 3.28Å; R472-L476 WeakPolarHBondContact O-CB 3.4Å; R472-L476 VanDerWaalsContact O-CG 3.28Å; R472-L476 WeakPolarHBondContact O-CG 3.18Å; R472-L476 PolarHBondContact O-N 3.5Å; E473-L476 PolarHBondContact O-N 3.48Å; L476-R479 PolarHBondContact O-N 3.11Å; L476-R480 WeakPolarHBondContact O-CB 3.34Å; L476-R480 WeakPolarHBondContact O-CG 3.12Å; L476-R480 PolarHBondContact O-N 3.43Å
477	A	43.4	Very low	40.1	Very low	44 Å²	44	108.4 Å²	108.4	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-43.9	176.4	0	0	0	0	0	111.7	E473 V474 K481	E473-A477 VanDerWaalsContact O-CB 3.28Å; E473-A477 WeakPolarHBondContact O-CB 2.81Å; E473-A477 PolarHBondContact O-N 3.27Å; V474-A477 PolarHBondContact O-N 3.05Å; A477-K481 WeakPolarHBondContact O-CB 3.08Å; A477-K481 PolarHBondContact O-N 3.08Å
478	V	38.9	Very low	40.5	Very low	69 Å²	69	111.1 Å²	111.1	42%	0.418	56%	0.558	S	S	.	*	H	α-helix	trans	-63.6	-47.1	175.7	173.8	0	0	0	0	111.1	V474 K481 C482	V474-V478 WeakPolarHBondContact O-CG2 3.32Å; V474-V478 PolarHBondContact O-N 2.79Å; V478-K481 PolarHBondContact O-N 2.86Å; V478-C482 WeakPolarHBondContact O-CB 3.33Å; V478-C482 PolarHBondContact O-N 3.41Å; V478-C482 PolarHBondContact O-SG 2.85Å; V478-C482 VanDerWaalsContact O-SG 3.34Å
479	R	41.1	Very low	40.7	Very low	101 Å²	101	108.2 Å²	108.2	38%	0.381	55%	0.547	S	S	.	.	H	α-helix	trans	-61.7	-52.3	179.2	-86.4	-177.8	161.6	174.2	-9.4	113.7	A475 L476 K481 C482 N483 L484	A475-R479 PolarHBondContact O-N 2.94Å; A475-R479 VanDerWaalsContact O-N 3.08Å; L476-R479 PolarHBondContact O-N 3.11Å; R479-K481 PolarHBondContact O-N 3.05Å; R479-C482 PolarHBondContact O-N 2.86Å; R479-N483 PolarHBondContact O-N 3.5Å; R479-L484 PolarHBondContact O-N 2.89Å
480	R	42.9	Very low	40.5	Very low	196 Å²	196	104.8 Å²	104.8	74%	0.74	53%	0.533	S	S	*	.	H	α-helix	trans	-60	-29.1	-179.6	-74.7	-178	-172.1	171.9	4	113.1	L476	L476-R480 WeakPolarHBondContact O-CB 3.34Å; L476-R480 WeakPolarHBondContact O-CG 3.12Å; L476-R480 PolarHBondContact O-N 3.43Å
481	K	40.3	Very low	40.5	Very low	162 Å²	162	109.3 Å²	109.3	70%	0.704	54%	0.544	S	S	*	.	H	α-helix	trans	-93	-31.1	-177	-84.7	-106.5	-179.8	170	0	114	A477 V478 R479 N483	A477-K481 WeakPolarHBondContact O-CB 3.08Å; A477-K481 PolarHBondContact O-N 3.08Å; V478-K481 PolarHBondContact O-N 2.86Å; R479-K481 PolarHBondContact O-N 3.05Å; K481-N483 PolarHBondContact O-N 3.02Å
482	C	35.7	Very low	40.5	Very low	75 Å²	75	113.4 Å²	113.4	51%	0.507	56%	0.563	S	S	.	*	H	α-helix	trans	-78.6	-0.2	174.2	-67	0	0	0	0	113	V478 R479 L484	V478-C482 WeakPolarHBondContact O-CB 3.33Å; V478-C482 PolarHBondContact O-N 3.41Å; V478-C482 PolarHBondContact O-SG 2.85Å; V478-C482 VanDerWaalsContact O-SG 3.34Å; R479-C482 PolarHBondContact O-N 2.86Å; C482-L484 HydrophobicContact CB-CB 4.35Å; C482-L484 HydrophobicContact CB-CD1 3.54Å; C482-L484 HydrophobicContact CB-CG 3.63Å; C482-L484 PolarHBondContact O-N 3.24Å; C482-L484 VanDerWaalsContact O-N 3.14Å
483	N	35.9	Very low	40.3	Very low	150 Å²	150	109 Å²	109	80%	0.802	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.7	36.5	-170.8	-105	15.7	0	0	0	111.8	R479 K481	R479-N483 PolarHBondContact O-N 3.5Å; K481-N483 PolarHBondContact O-N 3.02Å
484	L	33.2	Very low	40	Very low	108 Å²	108	106.3 Å²	106.3	57%	0.565	55%	0.548	S	S	*	.			trans	-94.6	108.1	172.6	-64.9	170.3	0	0	0	105.9	R479 C482	R479-L484 PolarHBondContact O-N 2.89Å; C482-L484 HydrophobicContact CB-CB 4.35Å; C482-L484 HydrophobicContact CB-CD1 3.54Å; C482-L484 HydrophobicContact CB-CG 3.63Å; C482-L484 PolarHBondContact O-N 3.24Å; C482-L484 VanDerWaalsContact O-N 3.14Å
485	D	37.1	Very low	39.8	Very low	211 Å²	211	110.2 Å²	110.2	100%	1.128	56%	0.564	S	S	*	*			trans	-54	0	170	-80.5	-27.1	0	0	0	112

Retrieved 485 of 485 residues in 956.7 ms (Link to these results)

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