A0A096NRM0_PAPAN Loading...

G protein subunit alpha transducin 3

AlphaFold DB (A8MTJ3), UniProt , Accession A0A096NRM0, Species PAPAN (Papio anubis, Olive baboon), Gene GNAT3, Length 354 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	38.8	Very low	64.6	Low	242 Å²	242	109.1 Å²	109.1	100%	1.192	66%	0.659	S	S	*	*				0	108.9	0	-64.8	-177.5	-155.7	0	0	107	S3	M1-S3 PolarHBondContact O-N 2.88Å
2	G	49.4	Very low	66.3	Low	85 Å²	85	106 Å²	106	88%	0.876	65%	0.646	S	S	*	*			trans	-72.6	97.1	177.7	0	0	0	0	0	109	G4	G2-G4 PolarHBondContact O-N 3.07Å
3	S	54.3	Low	67.8	Low	115 Å²	115	101.8 Å²	101.8	80%	0.804	63%	0.629	S	S	*	*			trans	-66	91.1	166.8	30.2	0	0	0	0	107.1	M1 I5	M1-S3 PolarHBondContact O-N 2.88Å; S3-I5 PolarHBondContact O-N 3.47Å
4	G	54.4	Low	69.2	Low	67 Å²	67	103.9 Å²	103.9	69%	0.691	63%	0.625	S	S	*	*			trans	-52	115.7	173.1	0	0	0	0	0	108	G2 S6	G2-G4 PolarHBondContact O-N 3.07Å; G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.26Å
5	I	56.8	Low	70.5	Confident	115 Å²	115	108.1 Å²	108.1	59%	0.59	63%	0.625	S	S	*	*			trans	-48.1	106.1	166.6	-62.4	173	0	0	0	105.2	S3 S7 S9 K10	S3-I5 PolarHBondContact O-N 3.47Å; I5-S7 PolarHBondContact O-N 3.02Å; I5-S9 WeakPolarHBondContact CG2-OG 3.06Å; I5-K10 HydrophobicContact CG2-CD 4.34Å; I5-K10 HydrophobicContact CG2-CG 3.6Å
6	S	64.3	Low	71.7	Confident	57 Å²	57	105.1 Å²	105.1	40%	0.399	61%	0.613	S	S	.	*			trans	-56.7	143.2	-173.5	68	0	0	0	0	108.1	G4 E8 S9 K10	G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.26Å; S6-E8 PolarHBondContact O-N 3.41Å; S6-E8 VanDerWaalsContact O-N 3.1Å; S6-S9 PolarHBondContact N-OG 3.47Å; S6-S9 PolarHBondContact O-N 3.48Å; S6-S9 PolarHBondContact O-OG 2.84Å; S6-S9 PolarHBondContact OG-N 3.27Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S6-K10 PolarHBondContact O-N 2.92Å
7	S	74.3	Confident	72.8	Confident	89 Å²	89	107.8 Å²	107.8	62%	0.622	62%	0.615	S	S	*	*	H	α-helix	trans	-48.6	-38.1	175.1	44.5	0	0	0	0	111.5	I5 S9 K10 E11	I5-S7 PolarHBondContact O-N 3.02Å; S7-S9 PolarHBondContact O-N 3.1Å; S7-K10 PolarHBondContact O-N 2.69Å; S7-E11 PolarHBondContact O-N 3.25Å
8	E	73.1	Confident	73.8	Confident	141 Å²	141	107.9 Å²	107.9	66%	0.659	61%	0.609	S	S	*	*	H	α-helix	trans	-58.6	-40.2	175.2	-65.3	178.2	165.9	0	0	113.4	S6 E11 S12	S6-E8 PolarHBondContact O-N 3.41Å; S6-E8 VanDerWaalsContact O-N 3.1Å; E8-E11 PolarHBondContact O-N 2.89Å; E8-S12 VanDerWaalsContact O-CB 3.26Å; E8-S12 WeakPolarHBondContact O-CB 3.26Å; E8-S12 PolarHBondContact O-N 2.72Å; E8-S12 PolarHBondContact O-OG 2.86Å
9	S	81.2	Confident	74.7	Confident	47 Å²	47	107.9 Å²	107.9	33%	0.329	61%	0.607	S	S	.	*	H	α-helix	trans	-71.7	-35	178.3	66.2	0	0	0	0	112.4	I5 S6 S7 A13	I5-S9 WeakPolarHBondContact CG2-OG 3.06Å; S6-S9 PolarHBondContact N-OG 3.47Å; S6-S9 PolarHBondContact O-N 3.48Å; S6-S9 PolarHBondContact O-OG 2.84Å; S6-S9 PolarHBondContact OG-N 3.27Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S7-S9 PolarHBondContact O-N 3.1Å; S9-A13 WeakPolarHBondContact O-CB 3.37Å; S9-A13 PolarHBondContact O-N 3.26Å
10	K	81.7	Confident	75.5	Confident	133 Å²	133	108.4 Å²	108.4	58%	0.578	60%	0.604	S	S	*	*	H	α-helix	trans	-67.9	-42.6	172.2	-68.7	-173.5	-180	175.6	0	111.7	I5 S6 S7 A13 K14	I5-K10 HydrophobicContact CG2-CD 4.34Å; I5-K10 HydrophobicContact CG2-CG 3.6Å; S6-K10 PolarHBondContact O-N 2.92Å; S7-K10 PolarHBondContact O-N 2.69Å; K10-A13 PolarHBondContact O-N 2.99Å; K10-K14 WeakPolarHBondContact O-CB 3.16Å; K10-K14 PolarHBondContact O-N 3.5Å
11	E	82.9	Confident	76.3	Confident	109 Å²	109	109.5 Å²	109.5	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-64.7	-42.5	176	-75.9	-170	174.5	0	0	111.8	S7 E8 K14 R15	S7-E11 PolarHBondContact O-N 3.25Å; E8-E11 PolarHBondContact O-N 2.89Å; E11-K14 PolarHBondContact O-N 2.9Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.43Å; E11-R15 IonicContact OE2-NH2 2.73Å
12	S	84.1	Confident	78.7	Confident	72 Å²	72	104.2 Å²	104.2	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-45.2	176.6	-61	0	0	0	0	111.8	E8 K14 R15 S16	E8-S12 VanDerWaalsContact O-CB 3.26Å; E8-S12 WeakPolarHBondContact O-CB 3.26Å; E8-S12 PolarHBondContact O-N 2.72Å; E8-S12 PolarHBondContact O-OG 2.86Å; S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3Å; S12-R15 PolarHBondContact O-N 3.12Å; S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 2.91Å
13	A	85.7	Confident	80.6	Confident	52 Å²	52	105.1 Å²	105.1	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-36.6	176	0	0	0	0	0	112.4	S9 K10 K17	S9-A13 WeakPolarHBondContact O-CB 3.37Å; S9-A13 PolarHBondContact O-N 3.26Å; K10-A13 PolarHBondContact O-N 2.99Å; A13-K17 WeakPolarHBondContact O-CG 3.5Å; A13-K17 PolarHBondContact O-N 3.34Å; A13-K17 VanDerWaalsContact O-N 3.12Å
14	K	87.7	Confident	82.2	Confident	130 Å²	130	105 Å²	105	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-66.1	-46.5	175.2	-170.5	-178.8	176.5	-169.3	0	111.3	K10 E11 S12 S16 K17 E18	K10-K14 WeakPolarHBondContact O-CB 3.16Å; K10-K14 PolarHBondContact O-N 3.5Å; E11-K14 PolarHBondContact O-N 2.9Å; S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 2.96Å; K14-K17 PolarHBondContact O-N 3.46Å; K14-E18 WeakPolarHBondContact CE-OE1 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.37Å; K14-E18 PolarHBondContact O-N 3.32Å
15	R	88.7	Confident	83.7	Confident	168 Å²	168	106.6 Å²	106.6	63%	0.634	53%	0.533	S	S	*	.	H	α-helix	trans	-61	-40.9	175.7	-71.5	178.2	-172.2	179.8	6.9	112.3	E11 S12 E18 L19	E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.43Å; E11-R15 IonicContact OE2-NH2 2.73Å; S12-R15 PolarHBondContact O-N 3.12Å; R15-E18 PolarHBondContact O-N 3.5Å; R15-L19 WeakPolarHBondContact O-CB 3.42Å; R15-L19 PolarHBondContact O-N 2.91Å
16	S	89.7	Confident	85.1	Confident	60 Å²	60	103.1 Å²	103.1	42%	0.42	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-46.4	176.8	-162.2	0	0	0	0	111.6	S12 K14 E18 L19 E20	S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 2.91Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 2.96Å; S16-E18 PolarHBondContact O-N 2.97Å; S16-L19 PolarHBondContact O-N 3.24Å; S16-E20 WeakPolarHBondContact O-CG 2.85Å; S16-E20 PolarHBondContact O-N 2.86Å
17	K	90.5	Very high	86	Confident	150 Å²	150	103 Å²	103	65%	0.652	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-39	176.8	-73.8	-178.7	178.4	-173.6	0	112.9	A13 K14 L19 K21	A13-K17 WeakPolarHBondContact O-CG 3.5Å; A13-K17 PolarHBondContact O-N 3.34Å; A13-K17 VanDerWaalsContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.46Å; K17-L19 VanDerWaalsContact C-N 3.32Å; K17-K21 VanDerWaalsContact O-CB 3.29Å; K17-K21 WeakPolarHBondContact O-CB 3.33Å; K17-K21 PolarHBondContact O-N 3.39Å
18	E	91.3	Very high	86.4	Confident	110 Å²	110	102.9 Å²	102.9	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174.7	-74.5	171.2	-178.3	0	0	111.4	K14 R15 S16 K22	K14-E18 WeakPolarHBondContact CE-OE1 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.37Å; K14-E18 PolarHBondContact O-N 3.32Å; R15-E18 PolarHBondContact O-N 3.5Å; S16-E18 PolarHBondContact O-N 2.97Å; E18-K22 WeakPolarHBondContact O-CB 3.29Å; E18-K22 PolarHBondContact O-N 3.49Å
19	L	91.2	Very high	86.8	Confident	108 Å²	108	102.6 Å²	102.6	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-70.8	-44.2	177.3	-170.7	137.6	0	0	0	112.2	R15 S16 K17 K21 K22 L23	R15-L19 WeakPolarHBondContact O-CB 3.42Å; R15-L19 PolarHBondContact O-N 2.91Å; S16-L19 PolarHBondContact O-N 3.24Å; K17-L19 VanDerWaalsContact C-N 3.32Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.45Å; L19-K22 PolarHBondContact O-N 2.96Å; L19-L23 HydrophobicContact CD2-CD1 3.62Å; L19-L23 HydrophobicContact CD2-CG 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.83Å
20	E	90.8	Very high	87	Confident	118 Å²	118	105 Å²	105	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-58.7	-45.6	172.9	-77.7	169.2	-162.8	0	0	111.6	S16 K22 L23 Q24	S16-E20 WeakPolarHBondContact O-CG 2.85Å; S16-E20 PolarHBondContact O-N 2.86Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.31Å; E20-L23 PolarHBondContact O-N 3.24Å; E20-Q24 WeakPolarHBondContact O-CB 3.33Å; E20-Q24 PolarHBondContact O-N 2.98Å
21	K	91.3	Very high	87.1	Confident	132 Å²	132	102.7 Å²	102.7	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-44.7	175.6	-180	176.7	169.8	-179.9	0	111.3	K17 L19 Q24 E25	K17-K21 VanDerWaalsContact O-CB 3.29Å; K17-K21 WeakPolarHBondContact O-CB 3.33Å; K17-K21 PolarHBondContact O-N 3.39Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.45Å; K21-Q24 PolarHBondContact O-N 2.95Å; K21-E25 WeakPolarHBondContact CE-OE1 3.5Å; K21-E25 IonicContact NZ-OE1 3.98Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.33Å
22	K	90.2	Very high	87.4	Confident	130 Å²	130	103.9 Å²	103.9	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-40.2	178.5	-170.5	178.7	178	-175.6	0	112.2	E18 L19 E20 Q24 E25 D26	E18-K22 WeakPolarHBondContact O-CB 3.29Å; E18-K22 PolarHBondContact O-N 3.49Å; L19-K22 PolarHBondContact O-N 2.96Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.31Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-E25 PolarHBondContact O-N 3.35Å; K22-D26 WeakPolarHBondContact O-CB 3.35Å; K22-D26 PolarHBondContact O-N 2.87Å
23	L	89.4	Confident	87.8	Confident	104 Å²	104	101.9 Å²	101.9	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-40.9	175.3	-74.1	173.2	0	0	0	111.9	L19 E20 A27	L19-L23 HydrophobicContact CD2-CD1 3.62Å; L19-L23 HydrophobicContact CD2-CG 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.83Å; E20-L23 PolarHBondContact O-N 3.24Å; L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.3Å; L23-A27 PolarHBondContact O-N 3.07Å
24	Q	87.8	Confident	88.2	Confident	114 Å²	114	99.4 Å²	99.4	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-45.4	175.2	-176.1	66.8	28.4	0	0	111.4	E20 K21 K22 A27 E28	E20-Q24 WeakPolarHBondContact O-CB 3.33Å; E20-Q24 PolarHBondContact O-N 2.98Å; K21-Q24 PolarHBondContact O-N 2.95Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-A27 PolarHBondContact O-N 2.97Å; Q24-E28 PolarHBondContact NE2-OE1 3.5Å; Q24-E28 VanDerWaalsContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 3.46Å
25	E	86.3	Confident	88.6	Confident	99 Å²	99	94.7 Å²	94.7	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-41.4	176.5	-73.2	173.5	175.5	0	0	112.2	K21 K22 E28 R29	K21-E25 WeakPolarHBondContact CE-OE1 3.5Å; K21-E25 IonicContact NZ-OE1 3.98Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.33Å; K22-E25 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 3.07Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 2.93Å
26	D	85.2	Confident	89	Confident	43 Å²	43	86.7 Å²	86.7	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-65.5	-42.7	175.8	-77.1	-32.3	0	0	0	110.7	K22 E28 R29 D30	K22-D26 WeakPolarHBondContact O-CB 3.35Å; K22-D26 PolarHBondContact O-N 2.87Å; D26-E28 PolarHBondContact O-N 2.9Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.04Å; D26-R29 IonicContact OD1-NH1 3.77Å; D26-R29 PolarHBondContact OD1-NH1 3.41Å; D26-R29 VanDerWaalsContact OD1-NH1 3.07Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.35Å; D26-D30 WeakPolarHBondContact O-CB 3.35Å; D26-D30 PolarHBondContact O-N 2.93Å
27	A	83.6	Confident	89.4	Confident	53 Å²	53	83.9 Å²	83.9	44%	0.438	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175.8	0	0	0	0	0	112.5	L23 Q24 D30 A31	L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.3Å; L23-A27 PolarHBondContact O-N 3.07Å; Q24-A27 PolarHBondContact O-N 2.97Å; A27-D30 PolarHBondContact O-N 2.88Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.74Å
28	E	82.3	Confident	89.8	Confident	88 Å²	88	76.7 Å²	76.7	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-35.2	176.1	-75.6	177.8	-158.5	0	0	112.8	Q24 E25 D26 R32	Q24-E28 PolarHBondContact NE2-OE1 3.5Å; Q24-E28 VanDerWaalsContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 3.46Å; E25-E28 PolarHBondContact O-N 3.07Å; D26-E28 PolarHBondContact O-N 2.9Å; E28-R32 PolarHBondContact O-N 3.29Å
29	R	82.6	Confident	90.1	Very high	135 Å²	135	71.5 Å²	71.5	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-68.4	-45.5	173.3	-175.7	-175.9	67.5	-136.8	-11.1	110.8	E25 D26 A31 R32 T33	E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 2.93Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.04Å; D26-R29 IonicContact OD1-NH1 3.77Å; D26-R29 PolarHBondContact OD1-NH1 3.41Å; D26-R29 VanDerWaalsContact OD1-NH1 3.07Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.35Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.84Å; R29-R32 CarbonylContact O-C 3.56Å; R29-R32 PolarHBondContact O-N 3.2Å; R29-R32 VanDerWaalsContact O-N 3.1Å; R29-T33 WeakPolarHBondContact O-CB 3.3Å; R29-T33 PolarHBondContact O-N 3.49Å; R29-T33 PolarHBondContact O-OG1 2.72Å
30	D	83.8	Confident	90.5	Very high	98 Å²	98	66.3 Å²	66.3	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-38.3	-178.5	-71.1	-5.8	0	0	0	110.7	D26 A27 R32 T33	D26-D30 WeakPolarHBondContact O-CB 3.35Å; D26-D30 PolarHBondContact O-N 2.93Å; A27-D30 PolarHBondContact O-N 2.88Å; D30-R32 PolarHBondContact O-N 3.1Å; D30-T33 PolarHBondContact O-N 2.78Å
31	A	84.3	Confident	90.8	Very high	84 Å²	84	61.2 Å²	61.2	69%	0.694	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-24.1	173.7	0	0	0	0	0	114.1	A27 R29	A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.74Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.84Å
32	R	88.8	Confident	90.9	Very high	133 Å²	133	56 Å²	56	50%	0.502	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.6	176.3	-61.3	-177	-134.6	-129.7	2.8	113.1	E28 R29 D30 L194 H195	E28-R32 PolarHBondContact O-N 3.29Å; R29-R32 CarbonylContact O-C 3.56Å; R29-R32 PolarHBondContact O-N 3.2Å; R29-R32 VanDerWaalsContact O-N 3.1Å; D30-R32 PolarHBondContact O-N 3.1Å; R32-L194 HydrophobicContact CB-CD2 4.39Å; R32-L194 WeakPolarHBondContact O-CA 3.34Å; R32-H195 PolarHBondContact O-N 3.22Å
33	T	92.9	Very high	91.1	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.184	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.7	-178.6	-64.9	0	0	0	0	110.1	R29 D30 H195 R197	R29-T33 WeakPolarHBondContact O-CB 3.3Å; R29-T33 PolarHBondContact O-N 3.49Å; R29-T33 PolarHBondContact O-OG1 2.72Å; D30-T33 PolarHBondContact O-N 2.78Å; T33-H195 CarbonylContact C-O 3.55Å; T33-H195 VanDerWaalsContact CA-O 3.3Å; T33-H195 WeakPolarHBondContact CA-O 3.47Å; T33-R197 HydrophobicContact CG2-CG 4.05Å
34	V	94.5	Very high	91.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.4	177.8	177.7	0	0	0	0	109.2	L36 L194 H195 F196 R197 T219 I343	V34-L36 HydrophobicContact CG1-CD2 3.75Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; V34-L194 HydrophobicContact CG2-CB 4.36Å; V34-L194 HydrophobicContact CG2-CD1 4.03Å; V34-L194 HydrophobicContact CG2-CD2 4.37Å; V34-L194 HydrophobicContact CG2-CG 4.5Å; V34-H195 PolarHBondContact N-O 3.06Å; V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.81Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CB-CZ 4.49Å; V34-F196 HydrophobicContact CG1-CD1 3.75Å; V34-F196 HydrophobicContact CG1-CE1 3.63Å; V34-F196 HydrophobicContact CG2-CE1 4.25Å; V34-F196 WeakPolarHBondContact O-CA 3.29Å; V34-R197 PolarHBondContact O-N 2.95Å; V34-T219 HydrophobicContact CG1-CG2 3.92Å; V34-I343 HydrophobicContact CG1-CD1 4.29Å; V34-I343 HydrophobicContact CG1-CG2 4.04Å; V34-I343 HydrophobicContact CG2-CG2 4.17Å
35	K	95.6	Very high	92	Very high	31 Å²	31	42.1 Å²	42.1	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.7	173.1	-176.5	174.2	-174.9	-176.3	0	109.8	R197 F199 C214 E216 G217 V218 T219 C220	K35-R197 WeakPolarHBondContact CA-O 3.08Å; K35-F199 HydrophobicContact CD-CD2 4.4Å; K35-F199 HydrophobicContact CD-CE2 4.02Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.69Å; K35-C214 WeakPolarHBondContact CE-O 3.33Å; K35-C214 PolarHBondContact NZ-O 3.46Å; K35-E216 PolarHBondContact NZ-O 2.93Å; K35-G217 WeakPolarHBondContact CB-O 3.23Å; K35-G217 VanDerWaalsContact CD-O 3.31Å; K35-G217 WeakPolarHBondContact CD-O 3.46Å; K35-V218 HydrophobicContact CD-CG2 4.21Å; K35-T219 PolarHBondContact N-OG1 3.06Å; K35-T219 WeakPolarHBondContact O-CB 3.45Å; K35-T219 PolarHBondContact O-N 2.67Å; K35-C220 PolarHBondContact O-N 3.03Å
36	L	97.3	Very high	92.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.9	173.7	-61.8	-177.6	0	0	0	110.4	V34 F196 R197 M198 F199 C220 I222 F336 I343	V34-L36 HydrophobicContact CG1-CD2 3.75Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; L36-F196 HydrophobicContact CD1-CD1 3.53Å; L36-F196 HydrophobicContact CD1-CE1 3.96Å; L36-F196 HydrophobicContact CG-CD1 3.88Å; L36-F196 HydrophobicContact CG-CE1 4.36Å; L36-R197 PolarHBondContact N-O 2.84Å; L36-M198 HydrophobicContact CB-CB 4.34Å; L36-M198 HydrophobicContact CB-CE 4.48Å; L36-M198 HydrophobicContact CB-CG 4.34Å; L36-M198 HydrophobicContact CD1-CE 3.6Å; L36-M198 CarbonylContact O-C 3.38Å; L36-M198 WeakPolarHBondContact O-CA 3.04Å; L36-F199 PolarHBondContact O-N 3.25Å; L36-C220 WeakPolarHBondContact CA-O 3.44Å; L36-C220 HydrophobicContact CD2-CB 3.73Å; L36-I222 HydrophobicContact CD1-CD1 4.31Å; L36-F336 HydrophobicContact CD1-CE2 3.63Å; L36-F336 HydrophobicContact CD1-CZ 3.67Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å
37	L	98.1	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117	174.6	-178.1	58.3	0	0	0	110.2	L39 F199 V201 C214 F215 V218 C220 I221 I222 F259	L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4.03Å; L37-L39 HydrophobicContact CD2-CD2 4.13Å; L37-L39 HydrophobicContact CD2-CG 4.17Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.94Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L37-F199 HydrophobicContact CD1-CB 3.84Å; L37-V201 HydrophobicContact CD1-CG1 4.35Å; L37-C214 HydrophobicContact CD1-CB 3.65Å; L37-C214 HydrophobicContact CD2-CB 4.25Å; L37-F215 HydrophobicContact CD2-CD1 3.88Å; L37-F215 HydrophobicContact CD2-CE1 4.04Å; L37-V218 HydrophobicContact CB-CG1 3.77Å; L37-V218 HydrophobicContact CB-CG2 4.14Å; L37-V218 HydrophobicContact CD2-CG2 3.96Å; L37-C220 PolarHBondContact N-O 3.11Å; L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.24Å; L37-I222 PolarHBondContact O-N 2.73Å; L37-F259 HydrophobicContact CD2-CE1 4.43Å; L37-F259 HydrophobicContact CD2-CZ 4.01Å
38	L	98.4	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.1	175.8	-57.1	-172.1	0	0	0	110.1	K46 I49 V50 M198 F199 D200 V201 I222	L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.07Å; L38-K46 HydrophobicContact CB-CG 4.14Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.3Å; L38-I49 HydrophobicContact CD1-CB 4.45Å; L38-I49 HydrophobicContact CD1-CG2 4.49Å; L38-V50 HydrophobicContact CD1-CG2 3.48Å; L38-V50 VanDerWaalsContact CD1-CG2 3.48Å; L38-M198 HydrophobicContact CD1-CG 4.09Å; L38-M198 HydrophobicContact CD1-SD 3.84Å; L38-M198 HydrophobicContact CD2-CE 4.47Å; L38-M198 HydrophobicContact CD2-CG 4.36Å; L38-M198 HydrophobicContact CD2-SD 4.29Å; L38-M198 HydrophobicContact CG-CG 3.98Å; L38-M198 HydrophobicContact CG-SD 4.21Å; L38-F199 PolarHBondContact N-O 2.6Å; L38-D200 HydrophobicContact CD1-CB 4.37Å; L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L38-I222 WeakPolarHBondContact CA-O 3.47Å; L38-I222 HydrophobicContact CD2-CB 3.65Å; L38-I222 HydrophobicContact CD2-CD1 3.95Å; L38-I222 HydrophobicContact CD2-CG1 4.32Å; L38-I222 HydrophobicContact CD2-CG2 4.1Å
39	L	98.4	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161.8	178.8	-62.5	179.3	0	0	0	111.5	L37 V201 W211 I221 I222 F223 C224 I253 F259	L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4.03Å; L37-L39 HydrophobicContact CD2-CD2 4.13Å; L37-L39 HydrophobicContact CD2-CG 4.17Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.94Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L39-V201 HydrophobicContact CD2-CG2 3.76Å; L39-W211 HydrophobicContact CB-CZ3 4.44Å; L39-W211 HydrophobicContact CD2-CD2 3.8Å; L39-W211 HydrophobicContact CD2-CE3 3.71Å; L39-W211 HydrophobicContact CD2-CG 4.26Å; L39-W211 HydrophobicContact CD2-CH2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; L39-I221 HydrophobicContact CB-CG2 4.33Å; L39-I221 HydrophobicContact CD1-CD1 4.38Å; L39-I221 HydrophobicContact CD1-CG2 3.95Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; L39-I222 PolarHBondContact N-O 3.37Å; L39-F223 HydrophobicContact CB-CD2 3.95Å; L39-F223 HydrophobicContact CB-CE2 4.47Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.27Å; L39-C224 PolarHBondContact O-N 2.66Å; L39-I253 HydrophobicContact CD1-CD1 3.82Å; L39-I253 HydrophobicContact CD1-CG1 4.08Å; L39-I253 HydrophobicContact CD1-CG2 3.75Å; L39-F259 HydrophobicContact CD1-CE2 4.27Å; L39-F259 HydrophobicContact CD1-CZ 4.45Å
40	G	98.1	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.			trans	137.7	165.5	-178.5	0	0	0	0	0	112.6	K46 G203 C224	G40-K46 PolarHBondContact O-NZ 3.03Å; G40-G203 WeakPolarHBondContact O-CA 3.41Å; G40-C224 WeakPolarHBondContact CA-O 3.29Å
41	A	97	Very high	95.9	Very high	10 Å²	10	22.3 Å²	22.3	8%	0.083	13%	0.13	C	C	.	.	S	Bend	trans	-60.4	167.8	-178.7	0	0	0	0	0	112.8	S44 K46 L249	A41-S44 PolarHBondContact O-N 3.26Å; A41-S44 PolarHBondContact O-OG 3.38Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; A41-K46 PolarHBondContact O-NZ 2.95Å; A41-L249 HydrophobicContact CB-CD2 4.46Å
42	G	94.7	Very high	96.6	Very high	22 Å²	22	18.3 Å²	18.3	23%	0.227	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	144.6	168.7	0	0	0	0	0	110.6	S44 G203	G42-S44 PolarHBondContact O-N 3.01Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.2Å
43	E	94.9	Very high	97	Very high	45 Å²	45	12 Å²	12	21%	0.21	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	9.6	175.3	-64.1	162.7	-164.2	0	0	115.9	G45 R178 R242 K270	E43-G45 PolarHBondContact O-N 2.82Å; E43-R178 IonicContact OE1-NH2 3.21Å; E43-R242 IonicContact OE2-CZ 3.49Å; E43-R242 IonicContact OE2-NH1 3.9Å; E43-R242 PolarHBondContact OE2-NH1 2.86Å; E43-R242 IonicContact OE2-NH2 2.65Å; E43-R242 PolarHBondContact OE2-NH2 3.22Å; E43-K270 WeakPolarHBondContact O-CE 3.34Å; E43-K270 PolarHBondContact O-NZ 2.95Å
44	S	97.6	Very high	97.2	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.021	7%	0.073	C	C	.	.	S	Bend	trans	-71.1	-9.8	176.6	67.4	0	0	0	0	115.2	A41 G42 C224 N269	A41-S44 PolarHBondContact O-N 3.26Å; A41-S44 PolarHBondContact O-OG 3.38Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; G42-S44 PolarHBondContact O-N 3.01Å; S44-C224 WeakPolarHBondContact CB-O 3.36Å; S44-C224 WeakPolarHBondContact OG-CB 3.49Å; S44-C224 PolarHBondContact OG-O 3.34Å; S44-N269 PolarHBondContact O-ND2 3.06Å
45	G	97.2	Very high	97.3	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	8%	0.077	C	C	.	.	S	Bend	trans	103.4	8.8	175.9	0	0	0	0	0	116.3	E43 S47 T48 I49	E43-G45 PolarHBondContact O-N 2.82Å; G45-S47 PolarHBondContact O-N 3.2Å; G45-T48 WeakPolarHBondContact O-CB 3.41Å; G45-T48 PolarHBondContact O-N 3.15Å; G45-T48 VanDerWaalsContact O-N 3.1Å; G45-I49 PolarHBondContact O-N 3.24Å
46	K	97.9	Very high	97.3	Very high	9 Å²	9	13.7 Å²	13.7	4%	0.039	8%	0.08	C	C	.	.	H	α-helix	trans	-50.7	-54.9	177.8	-62.7	-177.8	-64.5	-66.1	0	113.7	L38 G40 A41 T48 I49 V50 D200 V201 C224	L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.07Å; L38-K46 HydrophobicContact CB-CG 4.14Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.3Å; G40-K46 PolarHBondContact O-NZ 3.03Å; A41-K46 PolarHBondContact O-NZ 2.95Å; K46-T48 PolarHBondContact O-N 2.95Å; K46-I49 WeakPolarHBondContact O-CA 3.45Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 3.44Å; K46-V50 PolarHBondContact O-N 3.25Å; K46-V50 VanDerWaalsContact O-N 3.08Å; K46-D200 VanDerWaalsContact CB-OD1 3.27Å; K46-D200 WeakPolarHBondContact CB-OD1 3.27Å; K46-V201 WeakPolarHBondContact CE-O 3.47Å; K46-C224 HydrophobicContact CG-CB 3.94Å
47	S	97.7	Very high	97.2	Very high	24 Å²	24	15.7 Å²	15.7	17%	0.168	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-27.8	-179.1	-46.7	0	0	0	0	112.4	G45 V50 K51 T181 D200	G45-S47 PolarHBondContact O-N 3.2Å; S47-V50 PolarHBondContact O-N 3.5Å; S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 3.33Å; S47-T181 PolarHBondContact OG-OG1 2.81Å; S47-D200 WeakPolarHBondContact CA-OD2 3.38Å; S47-D200 VanDerWaalsContact CB-OD2 3.31Å; S47-D200 WeakPolarHBondContact CB-OD2 3.24Å; S47-D200 PolarHBondContact OG-OD2 2.99Å
48	T	98	Very high	97	Very high	24 Å²	24	20.5 Å²	20.5	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-40.2	172.6	-50	0	0	0	0	110.9	G45 K46 V50 K51 Q52 L175 A326 T327	G45-T48 WeakPolarHBondContact O-CB 3.41Å; G45-T48 PolarHBondContact O-N 3.15Å; G45-T48 VanDerWaalsContact O-N 3.1Å; K46-T48 PolarHBondContact O-N 2.95Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.32Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 2.62Å; T48-Q52 WeakPolarHBondContact O-CG 3.27Å; T48-Q52 PolarHBondContact O-N 2.83Å; T48-L175 HydrophobicContact CG2-CB 4.36Å; T48-L175 HydrophobicContact CG2-CD2 3.79Å; T48-A326 HydrophobicContact CG2-CB 3.67Å; T48-A326 WeakPolarHBondContact CG2-O 3.33Å; T48-T327 HydrophobicContact CG2-CG2 4.14Å
49	I	98.1	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-40.5	171.2	-61.3	-60.4	0	0	0	111.3	L38 G45 K46 Q52 M53 F267 A326 V332	L38-I49 HydrophobicContact CD1-CB 4.45Å; L38-I49 HydrophobicContact CD1-CG2 4.49Å; G45-I49 PolarHBondContact O-N 3.24Å; K46-I49 WeakPolarHBondContact O-CA 3.45Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 3.44Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 2.84Å; I49-M53 WeakPolarHBondContact O-CG 3.5Å; I49-M53 PolarHBondContact O-N 3.01Å; I49-F267 HydrophobicContact CD1-CD2 4.15Å; I49-F267 HydrophobicContact CD1-CE2 4.1Å; I49-F267 HydrophobicContact CG1-CD2 4.28Å; I49-F267 HydrophobicContact CG1-CE2 4.39Å; I49-F267 HydrophobicContact CG2-CE2 4.5Å; I49-A326 HydrophobicContact CD1-CB 3.68Å; I49-A326 HydrophobicContact CG1-CB 4.23Å; I49-V332 HydrophobicContact CD1-CG1 4.13Å; I49-V332 HydrophobicContact CD1-CG2 3.84Å
50	V	97.7	Very high	96.7	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.097	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-45.8	174.3	178.8	0	0	0	0	112	L38 K46 S47 T48 Q52 M53 K54 T187 M198 D200	L38-V50 HydrophobicContact CD1-CG2 3.48Å; L38-V50 VanDerWaalsContact CD1-CG2 3.48Å; K46-V50 PolarHBondContact O-N 3.25Å; K46-V50 VanDerWaalsContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 3.5Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.5Å; V50-M53 WeakPolarHBondContact O-CB 3.49Å; V50-M53 PolarHBondContact O-N 3Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-T187 HydrophobicContact CG1-CG2 4.03Å; V50-T187 VanDerWaalsContact CG1-OG1 3.24Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.47Å; V50-M198 HydrophobicContact CG2-CG 4.34Å; V50-M198 HydrophobicContact CG2-SD 3.85Å; V50-D200 HydrophobicContact CG2-CB 3.65Å
51	K	97.7	Very high	96.6	Very high	26 Å²	26	30.4 Å²	30.4	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-40.1	175.7	-67.5	170.9	176.5	-177.4	0	111	S47 T48 M53 K54 I55 Y61 V174 L175 S177	S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 3.33Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 2.62Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.27Å; K51-K54 WeakPolarHBondContact O-CB 3.39Å; K51-K54 PolarHBondContact O-N 2.81Å; K51-K54 VanDerWaalsContact O-N 3.17Å; K51-I55 PolarHBondContact O-N 2.86Å; K51-I55 VanDerWaalsContact O-N 3.1Å; K51-Y61 WeakPolarHBondContact CA-OH 3.5Å; K51-Y61 HydrophobicContact CB-CE2 4.48Å; K51-Y61 WeakPolarHBondContact CB-OH 3.33Å; K51-Y61 VanDerWaalsContact CG-OH 3.3Å; K51-Y61 WeakPolarHBondContact CG-OH 3.12Å; K51-V174 HydrophobicContact CD-CG1 4.2Å; K51-V174 WeakPolarHBondContact CD-O 3.47Å; K51-V174 PolarHBondContact NZ-O 3.37Å; K51-L175 HydrophobicContact CB-CD2 3.87Å; K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 3.16Å
52	Q	98	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-36.8	175.1	-70	-73.6	20.4	0	0	113	T48 I49 V50 K54 I55 I56 L175 A326 T329 V332	T48-Q52 WeakPolarHBondContact O-CG 3.27Å; T48-Q52 PolarHBondContact O-N 2.83Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 2.84Å; V50-Q52 PolarHBondContact O-N 3.5Å; Q52-K54 PolarHBondContact O-N 2.88Å; Q52-I55 PolarHBondContact O-N 3.47Å; Q52-I55 VanDerWaalsContact O-N 3.11Å; Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.33Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.43Å; Q52-I56 PolarHBondContact O-N 2.96Å; Q52-L175 HydrophobicContact CG-CD2 3.68Å; Q52-A326 VanDerWaalsContact CG-O 3.23Å; Q52-A326 WeakPolarHBondContact CG-O 3.26Å; Q52-A326 PolarHBondContact NE2-O 2.83Å; Q52-T329 PolarHBondContact NE2-OG1 3.13Å; Q52-T329 PolarHBondContact OE1-OG1 3.08Å; Q52-V332 HydrophobicContact CB-CB 4.34Å; Q52-V332 HydrophobicContact CB-CG1 3.72Å; Q52-V332 HydrophobicContact CG-CB 4.23Å; Q52-V332 HydrophobicContact CG-CG1 4.09Å; Q52-V332 HydrophobicContact CG-CG2 4.1Å
53	M	97.2	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-34.2	175.5	-63.3	-57.7	94.5	0	0	112	I49 V50 K51 I56 H57 F189 M198 V332 F336	I49-M53 WeakPolarHBondContact O-CG 3.5Å; I49-M53 PolarHBondContact O-N 3.01Å; V50-M53 WeakPolarHBondContact O-CB 3.49Å; V50-M53 PolarHBondContact O-N 3Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.27Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.24Å; M53-F189 HydrophobicContact CB-CD1 3.87Å; M53-F189 HydrophobicContact CB-CE1 3.68Å; M53-F189 HydrophobicContact CB-CG 4.42Å; M53-F189 HydrophobicContact CB-CZ 4.06Å; M53-F189 HydrophobicContact CG-CD1 4.31Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.43Å; M53-F189 HydrophobicContact CG-CZ 3.67Å; M53-F189 HydrophobicContact SD-CE1 4.08Å; M53-F189 HydrophobicContact SD-CE2 3.87Å; M53-F189 HydrophobicContact SD-CZ 3.48Å; M53-F189 WeakPolarHBondContact SD-CZ 3.31Å; M53-M198 HydrophobicContact CG-CE 3.54Å; M53-M198 HydrophobicContact CG-SD 3.72Å; M53-M198 HydrophobicContact SD-CE 3.97Å; M53-V332 HydrophobicContact CE-CG1 3.81Å; M53-F336 HydrophobicContact CE-CB 4.27Å; M53-F336 HydrophobicContact CE-CD1 4.38Å; M53-F336 HydrophobicContact CE-CD2 4.03Å; M53-F336 HydrophobicContact CE-CG 3.95Å; M53-F336 HydrophobicContact SD-CD1 3.97Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 3.9Å; M53-F336 HydrophobicContact SD-CE2 3.72Å; M53-F336 HydrophobicContact SD-CG 3.93Å; M53-F336 HydrophobicContact SD-CZ 3.78Å
54	K	96.4	Very high	96.8	Very high	40 Å²	40	42.7 Å²	42.7	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-43.4	172.2	-174.5	173.2	170.8	-172.1	0	111.5	V50 K51 Q52 K58 G60 Y61 E65	V50-K54 PolarHBondContact O-N 3.07Å; K51-K54 WeakPolarHBondContact O-CB 3.39Å; K51-K54 PolarHBondContact O-N 2.81Å; K51-K54 VanDerWaalsContact O-N 3.17Å; Q52-K54 PolarHBondContact O-N 2.88Å; K54-K58 HydrophobicContact CG-CB 4.09Å; K54-K58 CarbonylContact O-C 3.52Å; K54-K58 VanDerWaalsContact O-C 3.32Å; K54-K58 VanDerWaalsContact O-CA 3.27Å; K54-K58 WeakPolarHBondContact O-CA 3.16Å; K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 PolarHBondContact O-N 3.38Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.29Å; K54-G60 PolarHBondContact O-N 2.93Å; K54-Y61 HydrophobicContact CB-CE2 4.29Å; K54-Y61 HydrophobicContact CD-CD1 4.09Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CD-CE1 3.65Å; K54-Y61 HydrophobicContact CD-CE2 4.07Å; K54-Y61 HydrophobicContact CD-CG 4.47Å; K54-Y61 HydrophobicContact CG-CE2 4.31Å; K54-Y61 VanDerWaalsContact NZ-CD1 3.32Å; K54-E65 IonicContact NZ-OE1 3.64Å; K54-E65 PolarHBondContact NZ-OE1 3.26Å; K54-E65 IonicContact NZ-OE2 2.8Å; K54-E65 PolarHBondContact NZ-OE2 3.24Å
55	I	97.1	Very high	96.8	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-51.6	177.2	-64.1	168	0	0	0	111.8	K51 Q52 Y61 E171 L175 T329	K51-I55 PolarHBondContact O-N 2.86Å; K51-I55 VanDerWaalsContact O-N 3.1Å; Q52-I55 PolarHBondContact O-N 3.47Å; Q52-I55 VanDerWaalsContact O-N 3.11Å; I55-Y61 HydrophobicContact CD1-CD2 4.39Å; I55-Y61 HydrophobicContact CD1-CE2 4.15Å; I55-Y61 HydrophobicContact CG1-CD2 3.87Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; I55-E171 HydrophobicContact CD1-CB 4Å; I55-E171 HydrophobicContact CD1-CG 4.48Å; I55-L175 HydrophobicContact CD1-CD1 3.84Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.87Å; I55-T329 HydrophobicContact CG2-CG2 4.04Å
56	I	96.6	Very high	96.8	Very high	37 Å²	37	45.3 Å²	45.3	19%	0.19	23%	0.229	C	C	.	.	H	α-helix	trans	-75.9	-35.8	-171.2	-61.4	164.8	0	0	0	111.6	Q52 M53 T329 V332 K333	Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.33Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.43Å; Q52-I56 PolarHBondContact O-N 2.96Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; I56-T329 HydrophobicContact CD1-CG2 4.32Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; I56-V332 HydrophobicContact CD1-CB 4.3Å; I56-V332 HydrophobicContact CD1-CG1 3.98Å; I56-K333 HydrophobicContact CD1-CB 3.96Å; I56-K333 HydrophobicContact CG1-CB 4.49Å; I56-K333 HydrophobicContact CG2-CB 4.42Å; I56-K333 HydrophobicContact CG2-CD 4.36Å; I56-K333 HydrophobicContact CG2-CG 4.08Å
57	H	95.2	Very high	96.7	Very high	42 Å²	42	48.2 Å²	48.2	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-122	-3.2	-169	-56.3	-64.5	0	0	0	115.3	M53 F189 F191 F336	M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.24Å; H57-F189 HydrophobicContact CB-CB 4.05Å; H57-F189 HydrophobicContact CB-CD2 3.92Å; H57-F189 HydrophobicContact CB-CG 4.27Å; H57-F189 AromaticContact CD2-CD2 3.71Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.92Å; H57-F191 AromaticContact CE1-CD2 3.33Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.33Å; H57-F191 AromaticContact CE1-CE2 3.76Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.7Å; H57-F336 AromaticContact NE2-CD1 3.85Å
58	K	93.8	Very high	96.6	Very high	101 Å²	101	53.2 Å²	53.2	44%	0.439	26%	0.264	S	S	.	.	S	Bend	trans	-132.4	31.6	-178.7	-53	-172.4	71.7	162.5	0	114	K54 G60 Q188 F189	K54-K58 HydrophobicContact CG-CB 4.09Å; K54-K58 CarbonylContact O-C 3.52Å; K54-K58 VanDerWaalsContact O-C 3.32Å; K54-K58 VanDerWaalsContact O-CA 3.27Å; K54-K58 WeakPolarHBondContact O-CA 3.16Å; K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 PolarHBondContact O-N 3.38Å; K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 2.83Å; K58-Q188 WeakPolarHBondContact CD-O 3.22Å; K58-Q188 PolarHBondContact NZ-O 2.66Å; K58-F189 HydrophobicContact CD-CB 4.21Å; K58-F189 HydrophobicContact CG-CB 4.03Å
59	N	94	Very high	96.5	Very high	169 Å²	169	53.8 Å²	53.8	90%	0.904	26%	0.264	S	S	*	.			trans	61.8	27.3	177.4	-52	-46.6	0	0	0	114.9
60	G	95.5	Very high	96.4	Very high	6 Å²	6	56 Å²	56	6%	0.062	27%	0.274	C	S	.	.			trans	78.7	-164	174.8	0	0	0	0	0	114.9	K54 K58 E171	K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.29Å; K54-G60 PolarHBondContact O-N 2.93Å; K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 2.83Å; G60-E171 WeakPolarHBondContact CA-OE1 3.47Å
61	Y	96.9	Very high	96.3	Very high	33 Å²	33	57.6 Å²	57.6	13%	0.129	29%	0.289	C	S	.	.			trans	-101.6	130.4	171.7	-69.4	-98.3	0	0	0	109.4	K51 K54 I55 E65 C66 F69 E171 V174	K51-Y61 WeakPolarHBondContact CA-OH 3.5Å; K51-Y61 HydrophobicContact CB-CE2 4.48Å; K51-Y61 WeakPolarHBondContact CB-OH 3.33Å; K51-Y61 VanDerWaalsContact CG-OH 3.3Å; K51-Y61 WeakPolarHBondContact CG-OH 3.12Å; K54-Y61 HydrophobicContact CB-CE2 4.29Å; K54-Y61 HydrophobicContact CD-CD1 4.09Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CD-CE1 3.65Å; K54-Y61 HydrophobicContact CD-CE2 4.07Å; K54-Y61 HydrophobicContact CD-CG 4.47Å; K54-Y61 HydrophobicContact CG-CE2 4.31Å; K54-Y61 VanDerWaalsContact NZ-CD1 3.32Å; I55-Y61 HydrophobicContact CD1-CD2 4.39Å; I55-Y61 HydrophobicContact CD1-CE2 4.15Å; I55-Y61 HydrophobicContact CG1-CD2 3.87Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; Y61-E65 HydrophobicContact CD1-CB 4.17Å; Y61-C66 VanDerWaalsContact CB-SG 3.5Å; Y61-F69 HydrophobicContact CD1-CE2 4.11Å; Y61-F69 AromaticContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CZ 4.18Å; Y61-E171 HydrophobicContact CD2-CG 4.47Å; Y61-E171 PolarHBondContact N-OE1 3.24Å; Y61-E171 VanDerWaalsContact N-OE1 3.14Å; Y61-V174 HydrophobicContact CD1-CG1 4.28Å; Y61-V174 HydrophobicContact CD2-CG1 4.21Å; Y61-V174 HydrophobicContact CE1-CG1 3.92Å; Y61-V174 HydrophobicContact CE2-CG1 3.85Å; Y61-V174 HydrophobicContact CG-CG1 4.42Å
62	S	96.9	Very high	96.1	Very high	58 Å²	58	58.2 Å²	58.2	41%	0.406	30%	0.295	S	S	.	.			trans	-67.3	160.9	169.3	64.3	0	0	0	0	111	Q64 E65 C66	S62-Q64 PolarHBondContact O-N 3.19Å; S62-E65 PolarHBondContact N-OE2 2.95Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 VanDerWaalsContact O-N 3.08Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 3.21Å; S62-E65 VanDerWaalsContact OG-OE2 3.06Å; S62-C66 PolarHBondContact O-N 2.9Å
63	E	96.6	Very high	96.1	Very high	141 Å²	141	58.2 Å²	58.2	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-54.1	-42.2	177.4	-161	-176.5	149.2	0	0	112.1	C66 M67 V168	E63-C66 WeakPolarHBondContact O-CB 3.48Å; E63-C66 PolarHBondContact O-N 3.06Å; E63-M67 WeakPolarHBondContact O-CG 3.24Å; E63-M67 PolarHBondContact O-N 3.28Å; E63-V168 HydrophobicContact CG-CG1 3.68Å
64	Q	96.6	Very high	96	Very high	136 Å²	136	59.1 Å²	59.1	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-63.2	-43.1	177.9	-176.6	59	40.6	0	0	112.1	S62 M67 E68	S62-Q64 PolarHBondContact O-N 3.19Å; Q64-M67 WeakPolarHBondContact O-CB 3.44Å; Q64-M67 PolarHBondContact O-N 3.34Å; Q64-E68 PolarHBondContact O-N 2.89Å
65	E	97	Very high	96	Very high	63 Å²	63	59.2 Å²	59.2	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-69.2	-38.1	177.5	-67.7	170.7	126.4	0	0	111.5	K54 Y61 S62 M67 E68 F69	K54-E65 IonicContact NZ-OE1 3.64Å; K54-E65 PolarHBondContact NZ-OE1 3.26Å; K54-E65 IonicContact NZ-OE2 2.8Å; K54-E65 PolarHBondContact NZ-OE2 3.24Å; Y61-E65 HydrophobicContact CD1-CB 4.17Å; S62-E65 PolarHBondContact N-OE2 2.95Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 VanDerWaalsContact O-N 3.08Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 3.21Å; S62-E65 VanDerWaalsContact OG-OE2 3.06Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.91Å; E65-E68 WeakPolarHBondContact O-CB 3Å; E65-E68 PolarHBondContact O-N 3.08Å; E65-F69 VanDerWaalsContact O-CD2 3.27Å; E65-F69 WeakPolarHBondContact O-CD2 3.36Å
66	C	97.7	Very high	95.9	Very high	6 Å²	6	58.5 Å²	58.5	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-40.2	172.2	-78.6	0	0	0	0	111.6	Y61 S62 E63 E68 F69 V168 P169	Y61-C66 VanDerWaalsContact CB-SG 3.5Å; S62-C66 PolarHBondContact O-N 2.9Å; E63-C66 WeakPolarHBondContact O-CB 3.48Å; E63-C66 PolarHBondContact O-N 3.06Å; C66-E68 PolarHBondContact O-N 3.14Å; C66-F69 WeakPolarHBondContact O-CB 3.43Å; C66-F69 PolarHBondContact O-N 2.92Å; C66-V168 HydrophobicContact CB-CG1 4.49Å; C66-P169 HydrophobicContact CB-CB 4.3Å; C66-P169 WeakPolarHBondContact CB-O 3.18Å; C66-P169 WeakPolarHBondContact O-CB 3.34Å; C66-P169 VanDerWaalsContact O-CG 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.4Å; C66-P169 PolarHBondContact SG-O 3.04Å
67	M	96.3	Very high	95.9	Very high	69 Å²	69	56.7 Å²	56.7	34%	0.34	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-29.4	177.8	-77.3	-61.9	-66.5	0	0	113.3	E63 Q64 E65 F69 K70 V168	E63-M67 WeakPolarHBondContact O-CG 3.24Å; E63-M67 PolarHBondContact O-N 3.28Å; Q64-M67 WeakPolarHBondContact O-CB 3.44Å; Q64-M67 PolarHBondContact O-N 3.34Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.91Å; M67-F69 PolarHBondContact O-N 2.97Å; M67-K70 HydrophobicContact CE-CD 3.87Å; M67-K70 VanDerWaalsContact O-CB 3.23Å; M67-K70 WeakPolarHBondContact O-CB 3.29Å; M67-K70 PolarHBondContact O-N 3.01Å; M67-K70 VanDerWaalsContact O-N 3.13Å; M67-K70 HydrophobicContact SD-CD 4.3Å; M67-V168 HydrophobicContact CG-CG1 4.17Å; M67-V168 HydrophobicContact SD-CB 4.14Å; M67-V168 HydrophobicContact SD-CG1 3.98Å; M67-V168 HydrophobicContact SD-CG2 3.89Å
68	E	95.3	Very high	96	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-26	175	-63.9	172.5	-175.9	0	0	112.5	Q64 E65 C66 K70	Q64-E68 PolarHBondContact O-N 2.89Å; E65-E68 WeakPolarHBondContact O-CB 3Å; E65-E68 PolarHBondContact O-N 3.08Å; C66-E68 PolarHBondContact O-N 3.14Å; E68-K70 VanDerWaalsContact C-N 3.32Å; E68-K70 PolarHBondContact O-N 3.23Å
69	F	96.4	Very high	96.1	Very high	36 Å²	36	55.6 Å²	55.6	16%	0.158	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.6	177	-71.7	-87.7	0	0	0	113.6	Y61 E65 C66 M67 A71 V72 I73 V174 S177	Y61-F69 HydrophobicContact CD1-CE2 4.11Å; Y61-F69 AromaticContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CZ 4.18Å; E65-F69 VanDerWaalsContact O-CD2 3.27Å; E65-F69 WeakPolarHBondContact O-CD2 3.36Å; C66-F69 WeakPolarHBondContact O-CB 3.43Å; C66-F69 PolarHBondContact O-N 2.92Å; M67-F69 PolarHBondContact O-N 2.97Å; F69-A71 PolarHBondContact O-N 3.1Å; F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.33Å; F69-V72 VanDerWaalsContact O-N 3.09Å; F69-I73 HydrophobicContact CB-CD1 3.99Å; F69-I73 WeakPolarHBondContact O-CD1 3.3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.4Å; F69-I73 PolarHBondContact O-N 3.11Å; F69-V174 HydrophobicContact CB-CG2 4.29Å; F69-V174 HydrophobicContact CD1-CG1 4.27Å; F69-V174 HydrophobicContact CD2-CB 4.44Å; F69-V174 HydrophobicContact CD2-CG1 4.02Å; F69-V174 HydrophobicContact CD2-CG2 3.69Å; F69-V174 HydrophobicContact CE1-CG1 4.01Å; F69-V174 HydrophobicContact CE2-CG1 3.75Å; F69-V174 HydrophobicContact CE2-CG2 4.19Å; F69-V174 HydrophobicContact CG-CG1 4.28Å; F69-V174 HydrophobicContact CG-CG2 3.95Å; F69-V174 HydrophobicContact CZ-CG1 3.75Å; F69-S177 VanDerWaalsContact CD1-OG 3.3Å; F69-S177 WeakPolarHBondContact CD1-OG 3.38Å
70	K	95.9	Very high	96.3	Very high	46 Å²	46	47.6 Å²	47.6	20%	0.2	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-47.3	-172.9	-173.3	169.5	-177.6	162.9	0	113.1	M67 E68 V72 I73 Y74 Y167 P169	M67-K70 HydrophobicContact CE-CD 3.87Å; M67-K70 VanDerWaalsContact O-CB 3.23Å; M67-K70 WeakPolarHBondContact O-CB 3.29Å; M67-K70 PolarHBondContact O-N 3.01Å; M67-K70 VanDerWaalsContact O-N 3.13Å; M67-K70 HydrophobicContact SD-CD 4.3Å; E68-K70 VanDerWaalsContact C-N 3.32Å; E68-K70 PolarHBondContact O-N 3.23Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.17Å; K70-I73 PolarHBondContact O-N 3.22Å; K70-Y74 HydrophobicContact CD-CE2 4.3Å; K70-Y74 WeakPolarHBondContact CE-OH 3.45Å; K70-Y74 HydrophobicContact CG-CD2 4.25Å; K70-Y74 HydrophobicContact CG-CE2 3.76Å; K70-Y74 PolarHBondContact O-N 3.4Å; K70-Y167 HydrophobicContact CG-CD1 4.49Å; K70-Y167 PolarHBondContact NZ-O 3.1Å; K70-P169 HydrophobicContact CB-CG 4.04Å
71	A	94.5	Very high	96.4	Very high	50 Å²	50	47.3 Å²	47.3	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-37.6	177.6	0	0	0	0	0	112	F69 Y74 S75	F69-A71 PolarHBondContact O-N 3.1Å; A71-Y74 PolarHBondContact O-N 2.93Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.96Å
72	V	95.2	Very high	96.4	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-44.8	176	176.9	0	0	0	0	110.7	F69 K70 Y74 S75 N76 V179	F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.33Å; F69-V72 VanDerWaalsContact O-N 3.09Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.17Å; V72-Y74 PolarHBondContact O-N 3.36Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.27Å; V72-N76 PolarHBondContact O-N 2.84Å; V72-N76 PolarHBondContact O-OD1 3.49Å; V72-V179 HydrophobicContact CB-CG2 4.47Å; V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.05Å
73	I	97.1	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-46.9	178.6	-70.6	157.8	0	0	0	110.6	F69 K70 N76 T77 Y155 I162 P169 D173	F69-I73 HydrophobicContact CB-CD1 3.99Å; F69-I73 WeakPolarHBondContact O-CD1 3.3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.4Å; F69-I73 PolarHBondContact O-N 3.11Å; K70-I73 PolarHBondContact O-N 3.22Å; I73-N76 PolarHBondContact O-N 2.97Å; I73-T77 WeakPolarHBondContact O-CB 3.41Å; I73-T77 PolarHBondContact O-N 3.45Å; I73-T77 PolarHBondContact O-OG1 2.9Å; I73-Y155 HydrophobicContact CB-CE1 4.35Å; I73-Y155 HydrophobicContact CG1-CE1 4.13Å; I73-Y155 HydrophobicContact CG2-CD1 3.77Å; I73-Y155 HydrophobicContact CG2-CE1 3.5Å; I73-Y155 VanDerWaalsContact CG2-CE1 3.5Å; I73-Y155 HydrophobicContact CG2-CG 4.46Å; I73-I162 HydrophobicContact CG2-CD1 4.4Å; I73-P169 HydrophobicContact CD1-CB 3.62Å; I73-P169 HydrophobicContact CD1-CG 3.62Å; I73-D173 HydrophobicContact CD1-CB 3.72Å
74	Y	96.2	Very high	96.5	Very high	19 Å²	19	39.3 Å²	39.3	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-44.4	176.1	-68.5	-17.9	0	0	0	112.5	K70 A71 V72 N76 T77 L78 G117 M119 I162 Y167	K70-Y74 HydrophobicContact CD-CE2 4.3Å; K70-Y74 WeakPolarHBondContact CE-OH 3.45Å; K70-Y74 HydrophobicContact CG-CD2 4.25Å; K70-Y74 HydrophobicContact CG-CE2 3.76Å; K70-Y74 PolarHBondContact O-N 3.4Å; A71-Y74 PolarHBondContact O-N 2.93Å; V72-Y74 PolarHBondContact O-N 3.36Å; Y74-N76 PolarHBondContact O-N 3.29Å; Y74-T77 PolarHBondContact O-N 3.25Å; Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 3Å; Y74-G117 VanDerWaalsContact CB-O 3.22Å; Y74-G117 WeakPolarHBondContact CB-O 3.34Å; Y74-M119 HydrophobicContact CD1-CB 3.71Å; Y74-M119 HydrophobicContact CD1-CE 4.32Å; Y74-M119 HydrophobicContact CD1-CG 4.34Å; Y74-M119 HydrophobicContact CD2-CB 3.54Å; Y74-M119 HydrophobicContact CE1-CB 3.85Å; Y74-M119 HydrophobicContact CE1-CG 4.4Å; Y74-M119 HydrophobicContact CE2-CB 3.68Å; Y74-M119 HydrophobicContact CG-CB 3.55Å; Y74-I162 WeakPolarHBondContact CE1-O 3.18Å; Y74-I162 PolarHBondContact OH-O 2.91Å; Y74-Y167 HydrophobicContact CE1-CD1 4.31Å; Y74-Y167 HydrophobicContact CE1-CE1 4.33Å
75	S	94.8	Very high	96.6	Very high	41 Å²	41	32.9 Å²	32.9	29%	0.287	18%	0.175	S	C	.	.	H	α-helix	trans	-59	-45.9	173.8	-178.8	0	0	0	0	111.9	A71 V72 T77 L78 Q79	A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.96Å; V72-S75 PolarHBondContact O-N 3.29Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.45Å; S75-L78 PolarHBondContact O-N 3.42Å; S75-Q79 VanDerWaalsContact O-CB 3.29Å; S75-Q79 WeakPolarHBondContact O-CB 3.47Å; S75-Q79 WeakPolarHBondContact O-CG 3.48Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å
76	N	95.9	Very high	96.6	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-39.3	179	-65.5	161.1	0	0	0	111.6	V72 I73 Y74 S80 Y155 R178	V72-N76 WeakPolarHBondContact O-CB 3.27Å; V72-N76 PolarHBondContact O-N 2.84Å; V72-N76 PolarHBondContact O-OD1 3.49Å; I73-N76 PolarHBondContact O-N 2.97Å; Y74-N76 PolarHBondContact O-N 3.29Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.5Å; N76-S80 PolarHBondContact O-OG 2.95Å; N76-Y155 HydrophobicContact CB-CE2 4.43Å; N76-R178 PolarHBondContact ND2-O 3.2Å; N76-R178 PolarHBondContact OD1-N 3.22Å; N76-R178 PolarHBondContact OD1-O 3.3Å
77	T	97.2	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-49.9	177.1	-55	0	0	0	0	110.8	I73 Y74 S75 S80 I81 M119 Y155 L156 L159 I162	I73-T77 WeakPolarHBondContact O-CB 3.41Å; I73-T77 PolarHBondContact O-N 3.45Å; I73-T77 PolarHBondContact O-OG1 2.9Å; Y74-T77 PolarHBondContact O-N 3.25Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.45Å; T77-S80 PolarHBondContact O-N 2.9Å; T77-I81 PolarHBondContact O-N 3.42Å; T77-I81 VanDerWaalsContact O-N 3.14Å; T77-M119 HydrophobicContact CG2-CE 4.21Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.31Å; T77-L156 HydrophobicContact CG2-CD2 3.87Å; T77-L159 HydrophobicContact CG2-CD2 3.81Å; T77-I162 HydrophobicContact CG2-CD1 4.32Å
78	L	96	Very high	96.7	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-45.2	178.8	178.2	60.2	0	0	0	112	Y74 S75 S80 I81 L82 L107 A111 L114 L123 I127	Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 3Å; S75-L78 PolarHBondContact O-N 3.42Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.81Å; L78-I81 HydrophobicContact CD1-CG2 4.38Å; L78-I81 WeakPolarHBondContact O-CG2 3.13Å; L78-I81 PolarHBondContact O-N 3.06Å; L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.33Å; L78-L107 HydrophobicContact CD1-CD1 3.8Å; L78-A111 HydrophobicContact CD1-CB 4.36Å; L78-A111 HydrophobicContact CD2-CB 4.41Å; L78-L114 HydrophobicContact CD2-CD1 3.5Å; L78-L123 HydrophobicContact CD1-CD1 4.33Å; L78-L123 HydrophobicContact CD1-CD2 4.45Å; L78-I127 HydrophobicContact CD1-CD1 4.29Å
79	Q	95.7	Very high	96.8	Very high	99 Å²	99	32.1 Å²	32.1	46%	0.463	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-37.7	176.5	-74.4	168.8	-11.6	0	0	111.9	S75 A83	S75-Q79 VanDerWaalsContact O-CB 3.29Å; S75-Q79 WeakPolarHBondContact O-CB 3.47Å; S75-Q79 WeakPolarHBondContact O-CG 3.48Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å; Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.48Å
80	S	97.8	Very high	96.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-49.5	179.2	-60.1	0	0	0	0	111.4	N76 T77 L78 L82 A83 I84 L148	N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.5Å; N76-S80 PolarHBondContact O-OG 2.95Å; T77-S80 PolarHBondContact O-N 2.9Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.81Å; S80-L82 PolarHBondContact O-N 3.01Å; S80-A83 PolarHBondContact O-N 2.88Å; S80-I84 VanDerWaalsContact O-CG1 3.3Å; S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 3.32Å; S80-I84 VanDerWaalsContact O-N 3.11Å; S80-L148 WeakPolarHBondContact O-CD1 3.44Å
81	I	98.1	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-37.2	178.7	-170.4	64.4	0	0	0	112.3	T77 L78 A83 I84 V85 L107 I127 L130 I136 L156	T77-I81 PolarHBondContact O-N 3.42Å; T77-I81 VanDerWaalsContact O-N 3.14Å; L78-I81 HydrophobicContact CD1-CG2 4.38Å; L78-I81 WeakPolarHBondContact O-CG2 3.13Å; L78-I81 PolarHBondContact O-N 3.06Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.47Å; I81-I84 PolarHBondContact O-N 3.29Å; I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CB 3.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.4Å; I81-V85 PolarHBondContact O-N 3.27Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 4.2Å; I81-L107 HydrophobicContact CG2-CD2 4.15Å; I81-I127 HydrophobicContact CB-CG2 4.17Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.01Å; I81-I127 HydrophobicContact CG2-CG1 4Å; I81-I127 HydrophobicContact CG2-CG2 4.11Å; I81-L130 HydrophobicContact CD1-CB 4.19Å; I81-L130 HydrophobicContact CG1-CB 4.49Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; I81-I136 HydrophobicContact CD1-CD1 4.5Å; I81-I136 HydrophobicContact CD1-CG2 4.39Å; I81-L156 HydrophobicContact CB-CD2 4.19Å
82	L	97.2	Very high	97	Very high	39 Å²	39	35.9 Å²	35.9	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-40.2	174.6	-74	169	0	0	0	111.8	L78 S80 K86 L107 Y108 A111	L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.33Å; S80-L82 PolarHBondContact O-N 3.01Å; L82-K86 WeakPolarHBondContact O-CB 3.35Å; L82-K86 PolarHBondContact O-N 3.35Å; L82-L107 HydrophobicContact CD2-CD2 3.87Å; L82-L107 HydrophobicContact CD2-CG 3.9Å; L82-L107 HydrophobicContact CG-CD2 4.42Å; L82-Y108 HydrophobicContact CD2-CD1 3.78Å; L82-Y108 HydrophobicContact CD2-CE1 3.69Å; L82-A111 HydrophobicContact CD1-CB 3.98Å; L82-A111 HydrophobicContact CD2-CB 4.2Å
83	A	97.9	Very high	97.1	Very high	25 Å²	25	35.4 Å²	35.4	21%	0.207	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-43.8	176.3	0	0	0	0	0	111.6	Q79 S80 I81 K86 A87 L148	Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.48Å; S80-A83 PolarHBondContact O-N 2.88Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.47Å; A83-K86 PolarHBondContact O-N 2.76Å; A83-A87 WeakPolarHBondContact O-CB 3.29Å; A83-A87 PolarHBondContact O-N 2.69Å; A83-L148 HydrophobicContact CB-CD1 4.09Å
84	I	98.6	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-48.1	178.3	-59.3	165.1	0	0	0	110.7	S80 I81 K86 A87 M88 W131 I136 C139 F140 Y146 L148 L156	S80-I84 VanDerWaalsContact O-CG1 3.3Å; S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 3.32Å; S80-I84 VanDerWaalsContact O-N 3.11Å; I81-I84 PolarHBondContact O-N 3.29Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 3.21Å; I84-A87 CarbonylContact O-C 3.32Å; I84-A87 WeakPolarHBondContact O-CA 3.32Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.77Å; I84-M88 WeakPolarHBondContact O-CG 3.05Å; I84-M88 PolarHBondContact O-N 3.07Å; I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.75Å; I84-I136 HydrophobicContact CG2-CD1 4.06Å; I84-I136 HydrophobicContact CG2-CG2 4.07Å; I84-C139 HydrophobicContact CG2-CB 4.08Å; I84-F140 HydrophobicContact CD1-CD2 4.06Å; I84-Y146 HydrophobicContact CG1-CE2 4.18Å; I84-L148 HydrophobicContact CD1-CD1 4.19Å; I84-L148 HydrophobicContact CD1-CD2 4.09Å; I84-L148 HydrophobicContact CG1-CD1 3.83Å; I84-L148 HydrophobicContact CG1-CD2 3.93Å; I84-L156 HydrophobicContact CD1-CD1 3.95Å
85	V	98.1	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-41.1	177.8	167	0	0	0	0	111.6	I81 M88 Q104 L107 Y108 L130 I136	I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CB 3.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.4Å; I81-V85 PolarHBondContact O-N 3.27Å; V85-M88 PolarHBondContact O-N 3.4Å; V85-Q104 HydrophobicContact CG1-CB 4.38Å; V85-Q104 HydrophobicContact CG1-CG 3.67Å; V85-L107 HydrophobicContact CG2-CD2 4.01Å; V85-Y108 HydrophobicContact CG1-CE2 3.77Å; V85-L130 HydrophobicContact CG2-CD1 4.38Å; V85-I136 HydrophobicContact CG2-CD1 3.76Å
86	K	97.7	Very high	97.3	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	26%	0.263	S	S	*	.	H	α-helix	trans	-63.6	-44.3	174.1	-177.2	179.9	176.1	-174.1	0	111.2	L82 A83 I84 M88 T89 T90	L82-K86 WeakPolarHBondContact O-CB 3.35Å; L82-K86 PolarHBondContact O-N 3.35Å; A83-K86 PolarHBondContact O-N 2.76Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 3.21Å; K86-M88 VanDerWaalsContact C-N 3.31Å; K86-M88 PolarHBondContact O-N 3.21Å; K86-T89 PolarHBondContact O-N 3.36Å; K86-T90 PolarHBondContact O-N 3.5Å
87	A	98.2	Very high	97.4	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-31.8	179.3	0	0	0	0	0	113	A83 I84 T89 T90 L91 Y146	A83-A87 WeakPolarHBondContact O-CB 3.29Å; A83-A87 PolarHBondContact O-N 2.69Å; I84-A87 CarbonylContact O-C 3.32Å; I84-A87 WeakPolarHBondContact O-CA 3.32Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.77Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.49Å; A87-T90 PolarHBondContact O-N 3.47Å; A87-T90 VanDerWaalsContact O-N 3.14Å; A87-L91 HydrophobicContact CB-CD1 4.38Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.8Å; A87-Y146 HydrophobicContact CB-CD1 3.49Å; A87-Y146 VanDerWaalsContact CB-CD1 3.49Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.63Å; A87-Y146 HydrophobicContact CB-CE2 3.74Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å
88	M	98	Very high	97.2	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-54.5	-44.8	174.1	-71.4	-170.7	74.8	0	0	112	I84 V85 K86 L91 G92 I93 Y95 I136 C139	I84-M88 WeakPolarHBondContact O-CG 3.05Å; I84-M88 PolarHBondContact O-N 3.07Å; V85-M88 PolarHBondContact O-N 3.4Å; K86-M88 VanDerWaalsContact C-N 3.31Å; K86-M88 PolarHBondContact O-N 3.21Å; M88-L91 PolarHBondContact O-N 2.99Å; M88-G92 PolarHBondContact O-N 3.16Å; M88-I93 HydrophobicContact CE-CB 4.43Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 VanDerWaalsContact CE-O 3.31Å; M88-I93 WeakPolarHBondContact CE-O 3.25Å; M88-I93 PolarHBondContact O-N 3.19Å; M88-Y95 HydrophobicContact CE-CD1 3.63Å; M88-Y95 HydrophobicContact CE-CE1 3.67Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CD1 3.96Å; M88-Y95 HydrophobicContact SD-CE1 3.35Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.39Å; M88-I136 HydrophobicContact CE-CG1 4.43Å; M88-I136 HydrophobicContact CG-CD1 4.22Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.18Å; M88-I136 WeakPolarHBondContact SD-CD1 3.27Å; M88-I136 HydrophobicContact SD-CG1 3.54Å; M88-I136 VanDerWaalsContact SD-CG1 3.54Å; M88-C139 HydrophobicContact CG-CB 3.7Å; M88-C139 PolarHBondContact N-SG 2.91Å
89	T	95.6	Very high	97.1	Very high	105 Å²	105	60.8 Å²	60.8	64%	0.644	34%	0.337	S	S	*	.	H	α-helix	trans	-66	-44.1	178	-57.3	0	0	0	0	111.2	K86 A87 L91 G92	K86-T89 PolarHBondContact O-N 3.36Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.49Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.65Å; T89-G92 PolarHBondContact O-N 2.62Å
90	T	96.2	Very high	97.2	Very high	112 Å²	112	56.1 Å²	56.1	69%	0.687	32%	0.315	S	S	*	.	H	α-helix	trans	-64.4	-36.8	179.5	-58.6	0	0	0	0	112.7	K86 A87	K86-T90 PolarHBondContact O-N 3.5Å; A87-T90 PolarHBondContact O-N 3.47Å; A87-T90 VanDerWaalsContact O-N 3.14Å
91	L	97.6	Very high	97.1	Very high	36 Å²	36	57.7 Å²	57.7	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-91.2	-1.9	-177.2	-60.9	173.5	0	0	0	113.5	A87 M88 T89 I93 R142 E145 Y146	A87-L91 HydrophobicContact CB-CD1 4.38Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.8Å; M88-L91 PolarHBondContact O-N 2.99Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.65Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.96Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-R142 HydrophobicContact CD1-CB 4.2Å; L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.42Å; L91-Y146 HydrophobicContact CD1-CD1 4.02Å; L91-Y146 HydrophobicContact CD1-CE1 4.05Å
92	G	97.4	Very high	97	Very high	62 Å²	62	61.3 Å²	61.3	64%	0.639	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	37.2	-178.4	0	0	0	0	0	113.3	M88 T89	M88-G92 PolarHBondContact O-N 3.16Å; T89-G92 PolarHBondContact O-N 2.62Å
93	I	97.8	Very high	97	Very high	30 Å²	30	59.5 Å²	59.5	15%	0.154	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-98.2	120.6	179	-56.8	172.9	0	0	0	108.5	M88 L91 G135 C139	M88-I93 HydrophobicContact CE-CB 4.43Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 VanDerWaalsContact CE-O 3.31Å; M88-I93 WeakPolarHBondContact CE-O 3.25Å; M88-I93 PolarHBondContact O-N 3.19Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.96Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; I93-G135 WeakPolarHBondContact CG2-O 3.29Å; I93-C139 HydrophobicContact CD1-CB 3.69Å
94	D	97.7	Very high	97	Very high	139 Å²	139	60.4 Å²	60.4	74%	0.743	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-81.5	152.8	177.9	-68.7	-42.2	0	0	0	112.1
95	Y	98	Very high	96.9	Very high	47 Å²	47	67.4 Å²	67.4	18%	0.184	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-67.6	135	165.7	-67.7	-68	0	0	0	110.6	M88 A101 Q104 L130 I136	M88-Y95 HydrophobicContact CE-CD1 3.63Å; M88-Y95 HydrophobicContact CE-CE1 3.67Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CD1 3.96Å; M88-Y95 HydrophobicContact SD-CE1 3.35Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.39Å; Y95-A101 HydrophobicContact CD2-CB 4.17Å; Y95-Q104 HydrophobicContact CE2-CB 4.41Å; Y95-Q104 VanDerWaalsContact CZ-OE1 3.25Å; Y95-Q104 PolarHBondContact OH-OE1 3.29Å; Y95-L130 HydrophobicContact CE1-CD2 4.08Å; Y95-I136 HydrophobicContact CD1-CG1 4.36Å; Y95-I136 HydrophobicContact CE1-CD1 4.03Å; Y95-I136 HydrophobicContact CE1-CG1 3.88Å
96	V	97.7	Very high	96.8	Very high	99 Å²	99	70.7 Å²	70.7	60%	0.6	38%	0.378	S	S	*	.	S	Bend	trans	-81.2	-34.7	173.8	175.5	0	0	0	0	110.6	D133 P134	V96-D133 PolarHBondContact N-OD1 3.05Å; V96-D133 PolarHBondContact N-OD2 3.36Å; V96-P134 HydrophobicContact CB-CB 4.14Å; V96-P134 HydrophobicContact CB-CG 4.17Å; V96-P134 HydrophobicContact CG1-CB 4.45Å; V96-P134 HydrophobicContact CG1-CG 4.19Å; V96-P134 HydrophobicContact CG2-CB 3.94Å
97	N	96.4	Very high	96.8	Very high	79 Å²	79	64 Å²	64	42%	0.422	35%	0.349	S	S	.	.	S	Bend	trans	-93.8	122.1	174.2	-174.2	-18.3	0	0	0	110.6	R99 S100 D133	N97-R99 PolarHBondContact O-N 3.05Å; N97-R99 VanDerWaalsContact O-N 3.09Å; N97-R99 VanDerWaalsContact OD1-CB 3.32Å; N97-R99 WeakPolarHBondContact OD1-CB 3.18Å; N97-R99 PolarHBondContact OD1-N 3.42Å; N97-S100 VanDerWaalsContact O-CB 3.25Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 3Å; N97-S100 PolarHBondContact O-OG 3.14Å; N97-D133 VanDerWaalsContact CB-OD2 3.26Å; N97-D133 WeakPolarHBondContact CB-OD2 3.43Å; N97-D133 PolarHBondContact N-OD2 2.92Å
98	P	92.8	Very high	96.7	Very high	115 Å²	115	67.5 Å²	67.5	75%	0.747	36%	0.362	S	S	*	.	H	α-helix	trans	-56.5	-28.2	177.5	-26.5	34.9	0	0	0	114.3	S100	P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.49Å
99	R	95.5	Very high	96.5	Very high	140 Å²	140	70.1 Å²	70.1	53%	0.528	38%	0.384	S	S	.	.	H	α-helix	trans	-66.3	-28.6	176.5	-172.4	176.5	177.3	170.3	1.3	112.3	N97 A101 E102 D103	N97-R99 PolarHBondContact O-N 3.05Å; N97-R99 VanDerWaalsContact O-N 3.09Å; N97-R99 VanDerWaalsContact OD1-CB 3.32Å; N97-R99 WeakPolarHBondContact OD1-CB 3.18Å; N97-R99 PolarHBondContact OD1-N 3.42Å; R99-A101 PolarHBondContact O-N 3.45Å; R99-E102 WeakPolarHBondContact O-CA 3.31Å; R99-E102 WeakPolarHBondContact O-CB 3.48Å; R99-E102 PolarHBondContact O-N 3.48Å; R99-D103 PolarHBondContact O-N 3.34Å
100	S	97.2	Very high	96.4	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.007	36%	0.364	C	S	.	.	H	α-helix	trans	-63.5	-29.6	-177.6	-57.4	0	0	0	0	112.6	N97 P98 E102 D103 Q104 L130 D133	N97-S100 VanDerWaalsContact O-CB 3.25Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 3Å; N97-S100 PolarHBondContact O-OG 3.14Å; P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.49Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.9Å; S100-D103 PolarHBondContact O-N 3.41Å; S100-Q104 WeakPolarHBondContact O-CB 3.14Å; S100-Q104 PolarHBondContact O-N 2.96Å; S100-L130 WeakPolarHBondContact O-CD2 3.34Å; S100-D133 WeakPolarHBondContact CB-OD2 3.38Å; S100-D133 PolarHBondContact OG-OD2 2.87Å
101	A	94.9	Very high	96.2	Very high	35 Å²	35	62.9 Å²	62.9	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-33.1	173.3	0	0	0	0	0	112.8	Y95 R99 R105	Y95-A101 HydrophobicContact CD2-CB 4.17Å; R99-A101 PolarHBondContact O-N 3.45Å; A101-R105 PolarHBondContact O-N 3.2Å
102	E	96.5	Very high	95.7	Very high	75 Å²	75	67.8 Å²	67.8	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-75.7	-41.7	172.3	177.6	55.6	-150.2	0	0	111	R99 S100 Q104 R105 Q106	R99-E102 WeakPolarHBondContact O-CA 3.31Å; R99-E102 WeakPolarHBondContact O-CB 3.48Å; R99-E102 PolarHBondContact O-N 3.48Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.9Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 3.11Å; E102-R105 WeakPolarHBondContact O-CB 3.38Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.4Å; E102-R105 PolarHBondContact OE2-NE 3.3Å; E102-R105 IonicContact OE2-NH2 3.49Å; E102-R105 PolarHBondContact OE2-NH2 3.44Å; E102-Q106 WeakPolarHBondContact O-CG 3.23Å; E102-Q106 PolarHBondContact O-N 3.29Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å
103	D	98	Very high	95	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.011	37%	0.366	C	S	.	.	H	α-helix	trans	-60.9	-35.2	175.2	-70.9	-31.2	0	0	0	111.7	R99 S100 Q106 L107 V126 R129 L130	R99-D103 PolarHBondContact O-N 3.34Å; S100-D103 PolarHBondContact O-N 3.41Å; D103-Q106 PolarHBondContact O-N 3.05Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 PolarHBondContact O-N 3.05Å; D103-V126 HydrophobicContact CB-CG1 4.11Å; D103-V126 VanDerWaalsContact O-CG1 3.27Å; D103-V126 WeakPolarHBondContact O-CG1 3.27Å; D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 2.74Å; D103-R129 VanDerWaalsContact OD1-CZ 3.3Å; D103-R129 IonicContact OD1-NE 3.22Å; D103-R129 PolarHBondContact OD1-NE 2.91Å; D103-R129 IonicContact OD1-NH2 2.65Å; D103-R129 PolarHBondContact OD1-NH2 2.99Å; D103-R129 VanDerWaalsContact OD2-CB 3.29Å; D103-R129 WeakPolarHBondContact OD2-CB 2.96Å; D103-R129 WeakPolarHBondContact OD2-CD 3.31Å; D103-R129 IonicContact OD2-CZ 3.96Å; D103-R129 IonicContact OD2-NE 3.62Å; D103-R129 PolarHBondContact OD2-NE 3.12Å; D103-R129 IonicContact OD2-NH2 3.13Å; D103-L130 HydrophobicContact CB-CD1 4.33Å; D103-L130 HydrophobicContact CB-CD2 3.8Å; D103-L130 HydrophobicContact CB-CG 3.81Å
104	Q	97.5	Very high	94.1	Very high	44 Å²	44	70.8 Å²	70.8	21%	0.206	37%	0.371	C	S	.	.	H	α-helix	trans	-59.1	-47.3	170.5	167.7	178.5	-34.5	0	0	111.7	V85 Y95 S100 E102 Q106 L107 Y108	V85-Q104 HydrophobicContact CG1-CB 4.38Å; V85-Q104 HydrophobicContact CG1-CG 3.67Å; Y95-Q104 HydrophobicContact CE2-CB 4.41Å; Y95-Q104 VanDerWaalsContact CZ-OE1 3.25Å; Y95-Q104 PolarHBondContact OH-OE1 3.29Å; S100-Q104 WeakPolarHBondContact O-CB 3.14Å; S100-Q104 PolarHBondContact O-N 2.96Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 3.11Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.13Å; Q104-L107 WeakPolarHBondContact O-CB 3.29Å; Q104-L107 PolarHBondContact O-N 2.94Å; Q104-Y108 HydrophobicContact CG-CD2 3.74Å; Q104-Y108 HydrophobicContact CG-CE2 3.57Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 3.22Å; Q104-Y108 VanDerWaalsContact O-N 3.07Å
105	R	96.4	Very high	92.8	Very high	146 Å²	146	72.8 Å²	72.8	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-61.8	-43.3	179.5	-73.2	-173.5	-72.7	-94.1	4.7	110.9	A101 E102 Y108 A109	A101-R105 PolarHBondContact O-N 3.2Å; E102-R105 WeakPolarHBondContact O-CB 3.38Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.4Å; E102-R105 PolarHBondContact OE2-NE 3.3Å; E102-R105 IonicContact OE2-NH2 3.49Å; E102-R105 PolarHBondContact OE2-NH2 3.44Å; R105-Y108 PolarHBondContact O-N 3.22Å; R105-A109 WeakPolarHBondContact O-CB 3.46Å; R105-A109 PolarHBondContact O-N 3.42Å; R105-A109 VanDerWaalsContact O-N 3.08Å
106	Q	96.4	Very high	91.3	Very high	70 Å²	70	77.5 Å²	77.5	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.8	-67.7	178.5	19.5	0	0	111.6	E102 D103 Q104 Y108 A109 M110 V126	E102-Q106 WeakPolarHBondContact O-CG 3.23Å; E102-Q106 PolarHBondContact O-N 3.29Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å; D103-Q106 PolarHBondContact O-N 3.05Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.13Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Q106-A109 PolarHBondContact O-N 3.08Å; Q106-M110 WeakPolarHBondContact O-CB 3.3Å; Q106-M110 VanDerWaalsContact O-CG 3.23Å; Q106-M110 WeakPolarHBondContact O-CG 3.39Å; Q106-M110 PolarHBondContact O-N 3.34Å; Q106-V126 HydrophobicContact CB-CG1 4.47Å; Q106-V126 HydrophobicContact CB-CG2 4.23Å
107	L	96.9	Very high	90	Very high	0 Å²	0	74 Å²	74	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-54.7	-50.7	177.1	178.5	67.1	0	0	0	111.3	L78 I81 L82 V85 D103 Q104 M110 A111 L123 V126 I127 L130	L78-L107 HydrophobicContact CD1-CD1 3.8Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 4.2Å; I81-L107 HydrophobicContact CG2-CD2 4.15Å; L82-L107 HydrophobicContact CD2-CD2 3.87Å; L82-L107 HydrophobicContact CD2-CG 3.9Å; L82-L107 HydrophobicContact CG-CD2 4.42Å; V85-L107 HydrophobicContact CG2-CD2 4.01Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 PolarHBondContact O-N 3.05Å; Q104-L107 WeakPolarHBondContact O-CB 3.29Å; Q104-L107 PolarHBondContact O-N 2.94Å; L107-M110 PolarHBondContact O-N 3.05Å; L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.16Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; L107-V126 HydrophobicContact CB-CG1 3.98Å; L107-I127 HydrophobicContact CD1-CD1 4.4Å; L107-I127 HydrophobicContact CD1-CG1 3.89Å; L107-L130 HydrophobicContact CB-CD1 4.03Å; L107-L130 HydrophobicContact CD2-CD1 3.68Å; L107-L130 HydrophobicContact CG-CD1 4.35Å
108	Y	95.9	Very high	89.4	Confident	78 Å²	78	71.8 Å²	71.8	31%	0.306	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-40.8	179.2	-77.3	-60.2	0	0	0	112.8	L82 V85 Q104 R105 Q106 M110 A111 N112	L82-Y108 HydrophobicContact CD2-CD1 3.78Å; L82-Y108 HydrophobicContact CD2-CE1 3.69Å; V85-Y108 HydrophobicContact CG1-CE2 3.77Å; Q104-Y108 HydrophobicContact CG-CD2 3.74Å; Q104-Y108 HydrophobicContact CG-CE2 3.57Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 3.22Å; Q104-Y108 VanDerWaalsContact O-N 3.07Å; R105-Y108 PolarHBondContact O-N 3.22Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; Y108-M110 PolarHBondContact O-N 3Å; Y108-A111 PolarHBondContact O-N 3.09Å; Y108-N112 VanDerWaalsContact O-CG 3.27Å; Y108-N112 PolarHBondContact O-N 3.46Å; Y108-N112 PolarHBondContact O-ND2 2.87Å
109	A	94.4	Very high	89.4	Confident	58 Å²	58	67.4 Å²	67.4	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-42.1	177	0	0	0	0	0	112	R105 Q106 T113	R105-A109 WeakPolarHBondContact O-CB 3.46Å; R105-A109 PolarHBondContact O-N 3.42Å; R105-A109 VanDerWaalsContact O-N 3.08Å; Q106-A109 PolarHBondContact O-N 3.08Å; A109-T113 PolarHBondContact O-OG1 3.1Å
110	M	93.8	Very high	89.2	Confident	44 Å²	44	63.2 Å²	63.2	22%	0.217	34%	0.344	C	S	.	.	H	α-helix	trans	-72.2	-41.1	178	-64.7	179.8	82.9	0	0	112	Q106 L107 Y108 N112 T113 L114 T120 Q122 L123 V126	Q106-M110 WeakPolarHBondContact O-CB 3.3Å; Q106-M110 VanDerWaalsContact O-CG 3.23Å; Q106-M110 WeakPolarHBondContact O-CG 3.39Å; Q106-M110 PolarHBondContact O-N 3.34Å; L107-M110 PolarHBondContact O-N 3.05Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; Y108-M110 PolarHBondContact O-N 3Å; M110-N112 VanDerWaalsContact C-N 3.25Å; M110-N112 PolarHBondContact O-N 3.36Å; M110-T113 PolarHBondContact O-N 2.84Å; M110-T113 VanDerWaalsContact O-N 3.08Å; M110-T113 PolarHBondContact O-OG1 3.23Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 3.43Å; M110-T120 WeakPolarHBondContact CE-OG1 3.48Å; M110-Q122 HydrophobicContact CE-CB 3.9Å; M110-L123 HydrophobicContact CB-CD1 4.05Å; M110-L123 HydrophobicContact CE-CB 3.67Å; M110-L123 HydrophobicContact CE-CD1 4.5Å; M110-L123 HydrophobicContact SD-CB 4.31Å; M110-L123 HydrophobicContact SD-CD1 4.2Å; M110-V126 HydrophobicContact SD-CG2 4.45Å
111	A	91.6	Very high	89	Confident	20 Å²	20	67.7 Å²	67.7	17%	0.165	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-37.1	178.2	0	0	0	0	0	112.6	L78 L82 L107 Y108 T113	L78-A111 HydrophobicContact CD1-CB 4.36Å; L78-A111 HydrophobicContact CD2-CB 4.41Å; L82-A111 HydrophobicContact CD1-CB 3.98Å; L82-A111 HydrophobicContact CD2-CB 4.2Å; L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.16Å; Y108-A111 PolarHBondContact O-N 3.09Å; A111-T113 VanDerWaalsContact C-N 3.27Å; A111-T113 PolarHBondContact O-N 2.87Å
112	N	86.1	Confident	89	Confident	140 Å²	140	71.9 Å²	71.9	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.5	179.2	-69.8	-22.4	0	0	0	114.2	Y108 M110	Y108-N112 VanDerWaalsContact O-CG 3.27Å; Y108-N112 PolarHBondContact O-N 3.46Å; Y108-N112 PolarHBondContact O-ND2 2.87Å; M110-N112 VanDerWaalsContact C-N 3.25Å; M110-N112 PolarHBondContact O-N 3.36Å
113	T	84.1	Confident	88.9	Confident	106 Å²	106	68.3 Å²	68.3	65%	0.65	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-3.8	-177.6	51.4	0	0	0	0	113.3	A109 M110 A111 E115	A109-T113 PolarHBondContact O-OG1 3.1Å; M110-T113 PolarHBondContact O-N 2.84Å; M110-T113 VanDerWaalsContact O-N 3.08Å; M110-T113 PolarHBondContact O-OG1 3.23Å; A111-T113 VanDerWaalsContact C-N 3.27Å; A111-T113 PolarHBondContact O-N 2.87Å; T113-E115 PolarHBondContact O-N 2.94Å
114	L	78.4	Confident	88.8	Confident	48 Å²	48	68.3 Å²	68.3	25%	0.251	37%	0.369	S	S	.	.			trans	-78.9	105.2	177.6	-75.3	158.5	0	0	0	110.4	L78 M110 G118 L123	L78-L114 HydrophobicContact CD2-CD1 3.5Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 3.43Å; L114-G118 WeakPolarHBondContact CD2-O 3.47Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å
115	E	69.5	Low	88.8	Confident	182 Å²	182	70.3 Å²	70.3	85%	0.85	38%	0.379	S	S	*	.	S	Bend	trans	-80.2	-33.8	174.9	-65	-178.7	169.5	0	0	112.1	T113	T113-E115 PolarHBondContact O-N 2.94Å
116	D	67.9	Low	88.9	Confident	146 Å²	146	63.5 Å²	63.5	78%	0.781	35%	0.353	S	S	*	.	S	Bend	trans	-112.8	14.8	-165.2	-69	-29	0	0	0	115.8	G118	D116-G118 PolarHBondContact O-N 2.96Å
117	G	69.3	Low	89	Confident	26 Å²	26	60.1 Å²	60.1	27%	0.268	34%	0.338	S	S	.	.			trans	60.1	21.4	-179.5	0	0	0	0	0	114.2	Y74	Y74-G117 VanDerWaalsContact CB-O 3.22Å; Y74-G117 WeakPolarHBondContact CB-O 3.34Å
118	G	85	Confident	89	Confident	31 Å²	31	60.9 Å²	60.9	32%	0.32	34%	0.341	S	S	.	.			trans	-74.8	167.8	176.7	0	0	0	0	0	113.2	L114 D116	L114-G118 WeakPolarHBondContact CD2-O 3.47Å; D116-G118 PolarHBondContact O-N 2.96Å
119	M	91.7	Very high	89.1	Confident	23 Å²	23	60.1 Å²	60.1	11%	0.113	34%	0.338	C	S	.	.			trans	-123.4	103.8	173.7	-173.6	67.6	68.1	0	0	109.1	Y74 T77 L123 A124 I127 T163	Y74-M119 HydrophobicContact CD1-CB 3.71Å; Y74-M119 HydrophobicContact CD1-CE 4.32Å; Y74-M119 HydrophobicContact CD1-CG 4.34Å; Y74-M119 HydrophobicContact CD2-CB 3.54Å; Y74-M119 HydrophobicContact CE1-CB 3.85Å; Y74-M119 HydrophobicContact CE1-CG 4.4Å; Y74-M119 HydrophobicContact CE2-CB 3.68Å; Y74-M119 HydrophobicContact CG-CB 3.55Å; T77-M119 HydrophobicContact CG2-CE 4.21Å; M119-L123 HydrophobicContact SD-CB 4.17Å; M119-L123 HydrophobicContact SD-CD2 3.66Å; M119-L123 HydrophobicContact SD-CG 3.71Å; M119-A124 HydrophobicContact CG-CB 4.2Å; M119-A124 HydrophobicContact SD-CB 4.39Å; M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.91Å; M119-T163 HydrophobicContact CG-CG2 3.56Å
120	T	92.3	Very high	89.3	Confident	53 Å²	53	57.4 Å²	57.4	33%	0.325	32%	0.315	S	S	.	.			trans	-76.2	152.5	176.4	65.7	0	0	0	0	110.4	M110 Q122 L123 A124	M110-T120 WeakPolarHBondContact CE-OG1 3.48Å; T120-Q122 PolarHBondContact O-N 2.81Å; T120-L123 PolarHBondContact O-N 2.84Å; T120-L123 VanDerWaalsContact O-N 3.09Å; T120-L123 VanDerWaalsContact OG1-CB 3.31Å; T120-L123 WeakPolarHBondContact OG1-CB 3.29Å; T120-L123 PolarHBondContact OG1-N 2.8Å; T120-A124 PolarHBondContact O-N 2.88Å
121	P	92.5	Very high	89.5	Confident	94 Å²	94	56 Å²	56	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-55.1	-38.2	175.6	-27.1	35.5	0	0	0	112.8	A124 E125	P121-A124 PolarHBondContact O-N 3.04Å; P121-E125 WeakPolarHBondContact O-CG 3.4Å; P121-E125 PolarHBondContact O-N 2.84Å
122	Q	94.3	Very high	89.8	Confident	124 Å²	124	63.6 Å²	63.6	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-65.2	-42.4	177.8	-64.3	77.8	9.8	0	0	111.7	M110 T120 E125 V126	M110-Q122 HydrophobicContact CE-CB 3.9Å; T120-Q122 PolarHBondContact O-N 2.81Å; Q122-E125 PolarHBondContact O-N 3.2Å; Q122-V126 WeakPolarHBondContact O-CG2 3.46Å; Q122-V126 PolarHBondContact O-N 2.83Å
123	L	95.4	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-45.8	177.6	179.7	60.2	0	0	0	110.4	L78 L107 M110 L114 M119 T120 E125 V126 I127	L78-L123 HydrophobicContact CD1-CD1 4.33Å; L78-L123 HydrophobicContact CD1-CD2 4.45Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; M110-L123 HydrophobicContact CB-CD1 4.05Å; M110-L123 HydrophobicContact CE-CB 3.67Å; M110-L123 HydrophobicContact CE-CD1 4.5Å; M110-L123 HydrophobicContact SD-CB 4.31Å; M110-L123 HydrophobicContact SD-CD1 4.2Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å; M119-L123 HydrophobicContact SD-CB 4.17Å; M119-L123 HydrophobicContact SD-CD2 3.66Å; M119-L123 HydrophobicContact SD-CG 3.71Å; T120-L123 PolarHBondContact O-N 2.84Å; T120-L123 VanDerWaalsContact O-N 3.09Å; T120-L123 VanDerWaalsContact OG1-CB 3.31Å; T120-L123 WeakPolarHBondContact OG1-CB 3.29Å; T120-L123 PolarHBondContact OG1-N 2.8Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.27Å; L123-V126 PolarHBondContact O-N 3.18Å; L123-V126 VanDerWaalsContact O-N 3.15Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.21Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 HydrophobicContact CG-CG1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.31Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.97Å
124	A	96.3	Very high	91.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-54.8	-45.8	176.3	0	0	0	0	0	111.5	M119 T120 P121 I127 K128 T163	M119-A124 HydrophobicContact CG-CB 4.2Å; M119-A124 HydrophobicContact SD-CB 4.39Å; T120-A124 PolarHBondContact O-N 2.88Å; P121-A124 PolarHBondContact O-N 3.04Å; A124-I127 PolarHBondContact O-N 3.16Å; A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 VanDerWaalsContact O-CG 3.28Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.57Å; A124-T163 HydrophobicContact CB-CG2 3.66Å
125	E	97	Very high	92.1	Very high	86 Å²	86	53.5 Å²	53.5	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-36.2	178.4	-71.5	-54.4	121.8	0	0	113.4	P121 Q122 L123 K128 R129	P121-E125 WeakPolarHBondContact O-CG 3.4Å; P121-E125 PolarHBondContact O-N 2.84Å; Q122-E125 PolarHBondContact O-N 3.2Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.27Å; E125-K128 WeakPolarHBondContact OE1-CD 3.45Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 2.83Å; E125-R129 WeakPolarHBondContact O-CG 3.14Å; E125-R129 PolarHBondContact O-N 3.43Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 PolarHBondContact O-NH1 3.43Å
126	V	97.8	Very high	93.4	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-48.8	172.6	169.2	0	0	0	0	110.4	D103 Q106 L107 M110 Q122 L123 K128 R129 L130	D103-V126 HydrophobicContact CB-CG1 4.11Å; D103-V126 VanDerWaalsContact O-CG1 3.27Å; D103-V126 WeakPolarHBondContact O-CG1 3.27Å; Q106-V126 HydrophobicContact CB-CG1 4.47Å; Q106-V126 HydrophobicContact CB-CG2 4.23Å; L107-V126 HydrophobicContact CB-CG1 3.98Å; M110-V126 HydrophobicContact SD-CG2 4.45Å; Q122-V126 WeakPolarHBondContact O-CG2 3.46Å; Q122-V126 PolarHBondContact O-N 2.83Å; L123-V126 PolarHBondContact O-N 3.18Å; L123-V126 VanDerWaalsContact O-N 3.15Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.23Å; V126-R129 PolarHBondContact O-N 3.42Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.43Å
127	I	98.1	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-42.5	179.2	-63.2	176	0	0	0	110.6	L78 I81 L107 M119 L123 A124 R129 L130 W131 L156 L159	L78-I127 HydrophobicContact CD1-CD1 4.29Å; I81-I127 HydrophobicContact CB-CG2 4.17Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.01Å; I81-I127 HydrophobicContact CG2-CG1 4Å; I81-I127 HydrophobicContact CG2-CG2 4.11Å; L107-I127 HydrophobicContact CD1-CD1 4.4Å; L107-I127 HydrophobicContact CD1-CG1 3.89Å; M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.91Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.21Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 HydrophobicContact CG-CG1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.31Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.97Å; A124-I127 PolarHBondContact O-N 3.16Å; I127-R129 PolarHBondContact O-N 3.32Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-W131 VanDerWaalsContact O-CB 3.29Å; I127-W131 WeakPolarHBondContact O-CB 3.38Å; I127-W131 PolarHBondContact O-N 2.95Å; I127-L156 HydrophobicContact CG2-CD2 3.67Å; I127-L159 HydrophobicContact CB-CD1 4.38Å; I127-L159 HydrophobicContact CG2-CD1 3.67Å; I127-L159 HydrophobicContact CG2-CD2 4.08Å
128	K	97.9	Very high	96.3	Very high	16 Å²	16	41.4 Å²	41.4	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-42.7	176.9	-75.5	175.4	-161.5	169.7	0	112.3	A124 E125 V126 R132 L159 D160	A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 VanDerWaalsContact O-CG 3.28Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.57Å; E125-K128 WeakPolarHBondContact OE1-CD 3.45Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 2.83Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.23Å; K128-R132 WeakPolarHBondContact O-CB 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.25Å; K128-R132 WeakPolarHBondContact O-CG 3.39Å; K128-R132 PolarHBondContact O-N 3.43Å; K128-R132 VanDerWaalsContact O-N 3.1Å; K128-L159 HydrophobicContact CB-CD1 4.37Å; K128-L159 HydrophobicContact CD-CB 4.3Å; K128-L159 HydrophobicContact CG-CB 3.72Å; K128-L159 HydrophobicContact CG-CD1 3.62Å; K128-L159 HydrophobicContact CG-CG 4.27Å; K128-D160 WeakPolarHBondContact CE-OD1 3.46Å; K128-D160 IonicContact NZ-OD1 2.67Å; K128-D160 PolarHBondContact NZ-OD1 3.3Å
129	R	98.1	Very high	96.9	Very high	62 Å²	62	39.9 Å²	39.9	23%	0.234	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-44.5	178.3	-73.3	-169.2	-56.9	-84.4	3.9	111.7	D103 E125 V126 I127 R132 D133	D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 2.74Å; D103-R129 VanDerWaalsContact OD1-CZ 3.3Å; D103-R129 IonicContact OD1-NE 3.22Å; D103-R129 PolarHBondContact OD1-NE 2.91Å; D103-R129 IonicContact OD1-NH2 2.65Å; D103-R129 PolarHBondContact OD1-NH2 2.99Å; D103-R129 VanDerWaalsContact OD2-CB 3.29Å; D103-R129 WeakPolarHBondContact OD2-CB 2.96Å; D103-R129 WeakPolarHBondContact OD2-CD 3.31Å; D103-R129 IonicContact OD2-CZ 3.96Å; D103-R129 IonicContact OD2-NE 3.62Å; D103-R129 PolarHBondContact OD2-NE 3.12Å; D103-R129 IonicContact OD2-NH2 3.13Å; E125-R129 WeakPolarHBondContact O-CG 3.14Å; E125-R129 PolarHBondContact O-N 3.43Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 PolarHBondContact O-NH1 3.43Å; V126-R129 PolarHBondContact O-N 3.42Å; I127-R129 PolarHBondContact O-N 3.32Å; R129-R132 PolarHBondContact O-N 3.31Å; R129-D133 PolarHBondContact O-N 3.42Å
130	L	98.5	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-48.9	174.4	-72	170.5	0	0	0	111.2	I81 V85 Y95 S100 D103 L107 V126 I127 R132 D133 I136	I81-L130 HydrophobicContact CD1-CB 4.19Å; I81-L130 HydrophobicContact CG1-CB 4.49Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; V85-L130 HydrophobicContact CG2-CD1 4.38Å; Y95-L130 HydrophobicContact CE1-CD2 4.08Å; S100-L130 WeakPolarHBondContact O-CD2 3.34Å; D103-L130 HydrophobicContact CB-CD1 4.33Å; D103-L130 HydrophobicContact CB-CD2 3.8Å; D103-L130 HydrophobicContact CB-CG 3.81Å; L107-L130 HydrophobicContact CB-CD1 4.03Å; L107-L130 HydrophobicContact CD2-CD1 3.68Å; L107-L130 HydrophobicContact CG-CD1 4.35Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.43Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-R132 PolarHBondContact O-N 3.48Å; L130-D133 VanDerWaalsContact O-CB 3.23Å; L130-D133 WeakPolarHBondContact O-CB 3.35Å; L130-D133 PolarHBondContact O-N 3.24Å; L130-I136 VanDerWaalsContact O-CB 3.23Å; L130-I136 WeakPolarHBondContact O-CB 3.36Å; L130-I136 VanDerWaalsContact O-CG1 3.27Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.41Å
131	W	98.4	Very high	97.4	Very high	15 Å²	15	45.7 Å²	45.7	6%	0.057	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-31.2	-179.3	-173.8	-124.2	0	0	0	112.9	I84 I127 D133 I136 Q137 F140 L156 N157	I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.75Å; I127-W131 VanDerWaalsContact O-CB 3.29Å; I127-W131 WeakPolarHBondContact O-CB 3.38Å; I127-W131 PolarHBondContact O-N 2.95Å; W131-D133 VanDerWaalsContact C-N 3.31Å; W131-I136 HydrophobicContact CE3-CG2 3.75Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.33Å; W131-F140 HydrophobicContact CH2-CB 3.99Å; W131-F140 AromaticContact CH2-CD1 3.7Å; W131-F140 HydrophobicContact CH2-CD1 3.7Å; W131-F140 AromaticContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CE1 4.12Å; W131-F140 HydrophobicContact CH2-CE2 4.13Å; W131-F140 AromaticContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CG 3.49Å; W131-F140 VanDerWaalsContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CZ 4.34Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.47Å; W131-F140 HydrophobicContact CZ3-CD2 4.04Å; W131-F140 AromaticContact CZ3-CG 3.87Å; W131-F140 HydrophobicContact CZ3-CG 3.87Å; W131-L156 HydrophobicContact CD2-CB 3.64Å; W131-L156 HydrophobicContact CD2-CD1 4.02Å; W131-L156 HydrophobicContact CD2-CG 4.35Å; W131-L156 VanDerWaalsContact CE2-CB 3.5Å; W131-L156 HydrophobicContact CE3-CB 4.23Å; W131-L156 HydrophobicContact CE3-CD1 3.71Å; W131-L156 HydrophobicContact CG-CB 3.89Å; W131-L156 HydrophobicContact CH2-CD1 4.13Å; W131-L156 HydrophobicContact CZ2-CB 3.97Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.79Å; W131-L156 PolarHBondContact NE1-O 2.96Å; W131-N157 WeakPolarHBondContact CZ2-OD1 3.48Å; W131-N157 PolarHBondContact NE1-OD1 3.5Å
132	R	98.1	Very high	97.6	Very high	180 Å²	180	45.2 Å²	45.2	68%	0.679	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.9	175.4	-70.1	173.1	-176.1	-180	3.6	114.1	K128 R129 L130 P134	K128-R132 WeakPolarHBondContact O-CB 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.25Å; K128-R132 WeakPolarHBondContact O-CG 3.39Å; K128-R132 PolarHBondContact O-N 3.43Å; K128-R132 VanDerWaalsContact O-N 3.1Å; R129-R132 PolarHBondContact O-N 3.31Å; L130-R132 PolarHBondContact O-N 3.48Å; R132-P134 WeakPolarHBondContact O-CD 3.33Å
133	D	98.5	Very high	97.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	19%	0.191	C	C	.	.			trans	-69.8	127	177.9	-170.8	-76.9	0	0	0	110.4	V96 N97 S100 R129 L130 W131 G135 I136 Q137	V96-D133 PolarHBondContact N-OD1 3.05Å; V96-D133 PolarHBondContact N-OD2 3.36Å; N97-D133 VanDerWaalsContact CB-OD2 3.26Å; N97-D133 WeakPolarHBondContact CB-OD2 3.43Å; N97-D133 PolarHBondContact N-OD2 2.92Å; S100-D133 WeakPolarHBondContact CB-OD2 3.38Å; S100-D133 PolarHBondContact OG-OD2 2.87Å; R129-D133 PolarHBondContact O-N 3.42Å; L130-D133 VanDerWaalsContact O-CB 3.23Å; L130-D133 WeakPolarHBondContact O-CB 3.35Å; L130-D133 PolarHBondContact O-N 3.24Å; W131-D133 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.19Å; D133-G135 VanDerWaalsContact OD1-CA 3.3Å; D133-G135 WeakPolarHBondContact OD1-CA 3.23Å; D133-G135 PolarHBondContact OD1-N 2.76Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CG1 4.02Å; D133-I136 WeakPolarHBondContact O-CB 3.39Å; D133-I136 PolarHBondContact O-N 3.11Å; D133-I136 PolarHBondContact OD1-N 2.68Å; D133-Q137 PolarHBondContact O-N 2.86Å
134	P	98.4	Very high	97.8	Very high	76 Å²	76	41.9 Å²	41.9	49%	0.494	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-30	178.3	-26.3	33.3	0	0	0	114.7	V96 R132 Q137 A138	V96-P134 HydrophobicContact CB-CB 4.14Å; V96-P134 HydrophobicContact CB-CG 4.17Å; V96-P134 HydrophobicContact CG1-CB 4.45Å; V96-P134 HydrophobicContact CG1-CG 4.19Å; V96-P134 HydrophobicContact CG2-CB 3.94Å; R132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-Q137 PolarHBondContact O-N 3.25Å; P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 2.83Å
135	G	98.4	Very high	97.7	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-38.7	174.1	0	0	0	0	0	112.3	I93 D133 A138 C139	I93-G135 WeakPolarHBondContact CG2-O 3.29Å; D133-G135 PolarHBondContact O-N 3.19Å; D133-G135 VanDerWaalsContact OD1-CA 3.3Å; D133-G135 WeakPolarHBondContact OD1-CA 3.23Å; D133-G135 PolarHBondContact OD1-N 2.76Å; G135-A138 PolarHBondContact O-N 2.93Å; G135-C139 WeakPolarHBondContact O-CB 3.36Å; G135-C139 PolarHBondContact O-N 3.01Å
136	I	98.6	Very high	97.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-43.5	171.3	-73.3	-84.4	0	0	0	110.5	I81 I84 V85 M88 Y95 L130 W131 D133 C139 F140	I81-I136 HydrophobicContact CD1-CD1 4.5Å; I81-I136 HydrophobicContact CD1-CG2 4.39Å; I84-I136 HydrophobicContact CG2-CD1 4.06Å; I84-I136 HydrophobicContact CG2-CG2 4.07Å; V85-I136 HydrophobicContact CG2-CD1 3.76Å; M88-I136 HydrophobicContact CE-CG1 4.43Å; M88-I136 HydrophobicContact CG-CD1 4.22Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.18Å; M88-I136 WeakPolarHBondContact SD-CD1 3.27Å; M88-I136 HydrophobicContact SD-CG1 3.54Å; M88-I136 VanDerWaalsContact SD-CG1 3.54Å; Y95-I136 HydrophobicContact CD1-CG1 4.36Å; Y95-I136 HydrophobicContact CE1-CD1 4.03Å; Y95-I136 HydrophobicContact CE1-CG1 3.88Å; L130-I136 VanDerWaalsContact O-CB 3.23Å; L130-I136 WeakPolarHBondContact O-CB 3.36Å; L130-I136 VanDerWaalsContact O-CG1 3.27Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.41Å; W131-I136 HydrophobicContact CE3-CG2 3.75Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CG1 4.02Å; D133-I136 WeakPolarHBondContact O-CB 3.39Å; D133-I136 PolarHBondContact O-N 3.11Å; D133-I136 PolarHBondContact OD1-N 2.68Å; I136-C139 WeakPolarHBondContact O-CB 3.46Å; I136-C139 PolarHBondContact O-N 3.22Å; I136-F140 PolarHBondContact O-N 3.38Å
137	Q	98.5	Very high	97.7	Very high	61 Å²	61	46.9 Å²	46.9	29%	0.285	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-44.2	176.3	-69.8	-62.7	-52.2	0	0	112	W131 D133 P134 C139 F140 E141	W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.33Å; D133-Q137 PolarHBondContact O-N 2.86Å; P134-Q137 PolarHBondContact O-N 3.25Å; Q137-C139 VanDerWaalsContact C-N 3.28Å; Q137-C139 PolarHBondContact O-N 2.96Å; Q137-F140 WeakPolarHBondContact O-CB 3.35Å; Q137-F140 PolarHBondContact O-N 2.85Å; Q137-F140 VanDerWaalsContact O-N 3.11Å; Q137-E141 WeakPolarHBondContact O-CG 3.49Å; Q137-E141 PolarHBondContact O-N 3.24Å
138	A	98.2	Very high	97.7	Very high	38 Å²	38	47.3 Å²	47.3	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-35.3	174.5	0	0	0	0	0	112.5	P134 G135	P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 2.83Å; G135-A138 PolarHBondContact O-N 2.93Å
139	C	98.4	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-37.8	172.9	-171.9	0	0	0	0	112.2	I84 M88 I93 G135 I136 Q137 E141 R142 Y146	I84-C139 HydrophobicContact CG2-CB 4.08Å; M88-C139 HydrophobicContact CG-CB 3.7Å; M88-C139 PolarHBondContact N-SG 2.91Å; I93-C139 HydrophobicContact CD1-CB 3.69Å; G135-C139 WeakPolarHBondContact O-CB 3.36Å; G135-C139 PolarHBondContact O-N 3.01Å; I136-C139 WeakPolarHBondContact O-CB 3.46Å; I136-C139 PolarHBondContact O-N 3.22Å; Q137-C139 VanDerWaalsContact C-N 3.28Å; Q137-C139 PolarHBondContact O-N 2.96Å; C139-E141 VanDerWaalsContact C-N 3.35Å; C139-R142 CarbonylContact O-C 3.58Å; C139-R142 PolarHBondContact O-N 2.97Å; C139-R142 VanDerWaalsContact O-N 3.17Å; C139-Y146 WeakPolarHBondContact O-CE1 3.46Å; C139-Y146 PolarHBondContact O-OH 3.25Å
140	F	98.1	Very high	97.2	Very high	53 Å²	53	48.1 Å²	48.1	23%	0.232	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-36.1	174.9	176.9	-104.9	0	0	0	112.7	I84 W131 I136 Q137 R142 A143 Y146 L148 A152 A153	I84-F140 HydrophobicContact CD1-CD2 4.06Å; W131-F140 HydrophobicContact CH2-CB 3.99Å; W131-F140 AromaticContact CH2-CD1 3.7Å; W131-F140 HydrophobicContact CH2-CD1 3.7Å; W131-F140 AromaticContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CE1 4.12Å; W131-F140 HydrophobicContact CH2-CE2 4.13Å; W131-F140 AromaticContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CG 3.49Å; W131-F140 VanDerWaalsContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CZ 4.34Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.47Å; W131-F140 HydrophobicContact CZ3-CD2 4.04Å; W131-F140 AromaticContact CZ3-CG 3.87Å; W131-F140 HydrophobicContact CZ3-CG 3.87Å; I136-F140 PolarHBondContact O-N 3.38Å; Q137-F140 WeakPolarHBondContact O-CB 3.35Å; Q137-F140 PolarHBondContact O-N 2.85Å; Q137-F140 VanDerWaalsContact O-N 3.11Å; F140-R142 PolarHBondContact O-N 3.43Å; F140-R142 VanDerWaalsContact O-N 3.12Å; F140-A143 WeakPolarHBondContact O-CB 3.34Å; F140-A143 PolarHBondContact O-N 2.79Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; F140-L148 HydrophobicContact CD2-CD2 3.5Å; F140-L148 HydrophobicContact CE2-CD2 3.55Å; F140-A152 HydrophobicContact CE2-CB 4.29Å; F140-A153 HydrophobicContact CE1-CB 4.29Å; F140-A153 HydrophobicContact CE2-CB 4.45Å; F140-A153 HydrophobicContact CZ-CB 3.71Å
141	E	96.4	Very high	97	Very high	144 Å²	144	48.5 Å²	48.5	67%	0.673	24%	0.238	S	C	*	.	H	α-helix	trans	-61	-20.8	174	-71.5	178.4	169.7	0	0	113.3	Q137 C139	Q137-E141 WeakPolarHBondContact O-CG 3.49Å; Q137-E141 PolarHBondContact O-N 3.24Å; C139-E141 VanDerWaalsContact C-N 3.35Å
142	R	96.7	Very high	97	Very high	84 Å²	84	47.8 Å²	47.8	32%	0.317	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	21.3	176.4	-64.3	174.7	66.6	-174.1	-0	112.8	L91 C139 F140 S144 E145 Y146	L91-R142 HydrophobicContact CD1-CB 4.2Å; C139-R142 CarbonylContact O-C 3.58Å; C139-R142 PolarHBondContact O-N 2.97Å; C139-R142 VanDerWaalsContact O-N 3.17Å; F140-R142 PolarHBondContact O-N 3.43Å; F140-R142 VanDerWaalsContact O-N 3.12Å; R142-S144 PolarHBondContact O-N 2.89Å; R142-E145 WeakPolarHBondContact CB-OE1 2.95Å; R142-E145 WeakPolarHBondContact CG-OE1 3.13Å; R142-E145 IonicContact CZ-OE1 3.51Å; R142-E145 IonicContact CZ-OE2 3.32Å; R142-E145 IonicContact NE-OE1 3.5Å; R142-E145 PolarHBondContact NE-OE1 3.33Å; R142-E145 IonicContact NE-OE2 3.34Å; R142-E145 PolarHBondContact NE-OE2 2.97Å; R142-E145 IonicContact NH2-OE1 2.71Å; R142-E145 PolarHBondContact NH2-OE1 3.07Å; R142-E145 IonicContact NH2-OE2 3.17Å; R142-E145 PolarHBondContact NH2-OE2 2.71Å; R142-E145 WeakPolarHBondContact O-CB 3.36Å; R142-E145 PolarHBondContact O-N 3.24Å; R142-Y146 WeakPolarHBondContact O-CE1 3.23Å
143	A	96.9	Very high	96.9	Very high	23 Å²	23	40.5 Å²	40.5	19%	0.19	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-60.4	-11.4	-176.3	0	0	0	0	0	115.6	F140 E145 L148	F140-A143 WeakPolarHBondContact O-CB 3.34Å; F140-A143 PolarHBondContact O-N 2.79Å; A143-E145 VanDerWaalsContact C-N 3.32Å; A143-L148 HydrophobicContact CB-CB 4.29Å; A143-L148 HydrophobicContact CB-CD2 3.67Å
144	S	95.5	Very high	96.9	Very high	32 Å²	32	42.9 Å²	42.9	22%	0.224	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-75.9	-18.9	170.6	49.3	0	0	0	0	113.5	R142 Y146 D231	R142-S144 PolarHBondContact O-N 2.89Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-D231 VanDerWaalsContact CB-OD2 3.24Å; S144-D231 WeakPolarHBondContact CB-OD2 3.49Å; S144-D231 PolarHBondContact OG-OD2 3.38Å
145	E	96.1	Very high	96.9	Very high	106 Å²	106	39.3 Å²	39.3	50%	0.495	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-84.5	-4.6	-178.9	-61.4	179.1	-126	0	0	113.2	L91 R142 A143	L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.42Å; R142-E145 WeakPolarHBondContact CB-OE1 2.95Å; R142-E145 WeakPolarHBondContact CG-OE1 3.13Å; R142-E145 IonicContact CZ-OE1 3.51Å; R142-E145 IonicContact CZ-OE2 3.32Å; R142-E145 IonicContact NE-OE1 3.5Å; R142-E145 PolarHBondContact NE-OE1 3.33Å; R142-E145 IonicContact NE-OE2 3.34Å; R142-E145 PolarHBondContact NE-OE2 2.97Å; R142-E145 IonicContact NH2-OE1 2.71Å; R142-E145 PolarHBondContact NH2-OE1 3.07Å; R142-E145 IonicContact NH2-OE2 3.17Å; R142-E145 PolarHBondContact NH2-OE2 2.71Å; R142-E145 WeakPolarHBondContact O-CB 3.36Å; R142-E145 PolarHBondContact O-N 3.24Å; A143-E145 VanDerWaalsContact C-N 3.32Å
146	Y	97.3	Very high	96.9	Very high	29 Å²	29	39.3 Å²	39.3	11%	0.114	20%	0.199	C	C	.	.	S	Bend	trans	-149.5	171.9	177.3	59.2	-84.1	0	0	0	111.2	I84 A87 L91 C139 F140 R142 S144 L148	I84-Y146 HydrophobicContact CG1-CE2 4.18Å; A87-Y146 HydrophobicContact CB-CD1 3.49Å; A87-Y146 VanDerWaalsContact CB-CD1 3.49Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.63Å; A87-Y146 HydrophobicContact CB-CE2 3.74Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å; L91-Y146 HydrophobicContact CD1-CD1 4.02Å; L91-Y146 HydrophobicContact CD1-CE1 4.05Å; C139-Y146 WeakPolarHBondContact O-CE1 3.46Å; C139-Y146 PolarHBondContact O-OH 3.25Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; R142-Y146 WeakPolarHBondContact O-CE1 3.23Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; Y146-L148 HydrophobicContact CD2-CB 4.16Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.45Å; Y146-L148 HydrophobicContact CE2-CD2 4.15Å; Y146-L148 HydrophobicContact CE2-CG 4.37Å; Y146-L148 PolarHBondContact O-N 3.36Å
147	Q	96.6	Very high	96.9	Very high	59 Å²	59	44.6 Å²	44.6	28%	0.276	23%	0.228	S	C	.	.			trans	-84	101	-176.7	-56.2	-60.2	-26.9	0	0	110.5	V233 V235	Q147-V233 PolarHBondContact NE2-O 2.91Å; Q147-V235 HydrophobicContact CB-CG2 4.49Å; Q147-V235 HydrophobicContact CG-CG2 4.02Å; Q147-V235 VanDerWaalsContact OE1-CG2 3.22Å
148	L	97.2	Very high	96.8	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	23%	0.229	C	C	.	.			trans	-125	139.7	175	-171.9	62.8	0	0	0	111.2	S80 A83 I84 F140 A143 Y146 A152	S80-L148 WeakPolarHBondContact O-CD1 3.44Å; A83-L148 HydrophobicContact CB-CD1 4.09Å; I84-L148 HydrophobicContact CD1-CD1 4.19Å; I84-L148 HydrophobicContact CD1-CD2 4.09Å; I84-L148 HydrophobicContact CG1-CD1 3.83Å; I84-L148 HydrophobicContact CG1-CD2 3.93Å; F140-L148 HydrophobicContact CD2-CD2 3.5Å; F140-L148 HydrophobicContact CE2-CD2 3.55Å; A143-L148 HydrophobicContact CB-CB 4.29Å; A143-L148 HydrophobicContact CB-CD2 3.67Å; Y146-L148 HydrophobicContact CD2-CB 4.16Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.45Å; Y146-L148 HydrophobicContact CE2-CD2 4.15Å; Y146-L148 HydrophobicContact CE2-CG 4.37Å; Y146-L148 PolarHBondContact O-N 3.36Å; L148-A152 HydrophobicContact CD1-CB 3.89Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.88Å
149	N	93	Very high	96.8	Very high	34 Å²	34	43 Å²	43	18%	0.182	22%	0.216	C	C	.	.			trans	-73.2	136	175.2	-69.8	-42.5	0	0	0	110.6	S151 A152	N149-S151 PolarHBondContact O-N 2.76Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 2.79Å
150	D	93.2	Very high	96.7	Very high	61 Å²	61	47.5 Å²	47.5	33%	0.326	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.9	175.4	-66.6	-7.7	0	0	0	113.9	A152 K270 I273	D150-A152 PolarHBondContact O-N 3.49Å; D150-K270 WeakPolarHBondContact OD2-CD 3.48Å; D150-K270 WeakPolarHBondContact OD2-CE 3.43Å; D150-K270 IonicContact OD2-NZ 2.86Å; D150-K270 PolarHBondContact OD2-NZ 3.36Å; D150-I273 HydrophobicContact CB-CD1 3.6Å; D150-I273 VanDerWaalsContact CG-CD1 3.5Å; D150-I273 WeakPolarHBondContact OD2-CD1 3.28Å
151	S	94.8	Very high	96.6	Very high	8 Å²	8	48.1 Å²	48.1	6%	0.056	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.1	177.4	64.9	0	0	0	0	114	N149 Y154 Y155 H176	N149-S151 PolarHBondContact O-N 2.76Å; S151-Y154 PolarHBondContact O-N 2.68Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.21Å; S151-Y155 PolarHBondContact O-N 3.33Å; S151-H176 WeakPolarHBondContact CB-O 3.11Å
152	A	97.9	Very high	96.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-55.9	-54.5	-176.4	0	0	0	0	0	111.6	F140 L148 N149 D150 Y154 Y155 L156	F140-A152 HydrophobicContact CE2-CB 4.29Å; L148-A152 HydrophobicContact CD1-CB 3.89Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.88Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 2.79Å; D150-A152 PolarHBondContact O-N 3.49Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.47Å; A152-Y155 PolarHBondContact O-N 3.31Å; A152-L156 HydrophobicContact CB-CD1 4.26Å; A152-L156 VanDerWaalsContact O-CB 3.23Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.32Å
153	A	97.2	Very high	96.6	Very high	27 Å²	27	38.9 Å²	38.9	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-41.6	179.2	0	0	0	0	0	112.2	F140 Y155 N157	F140-A153 HydrophobicContact CE1-CB 4.29Å; F140-A153 HydrophobicContact CE2-CB 4.45Å; F140-A153 HydrophobicContact CZ-CB 3.71Å; A153-Y155 PolarHBondContact O-N 2.81Å; A153-N157 WeakPolarHBondContact O-CB 3.22Å; A153-N157 PolarHBondContact O-N 3.35Å; A153-N157 PolarHBondContact O-ND2 3.06Å; A153-N157 VanDerWaalsContact O-ND2 3.13Å
154	Y	98	Very high	96.5	Very high	53 Å²	53	40.1 Å²	40.1	21%	0.208	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-48.8	-179.4	177.9	-98.3	0	0	0	112.1	S151 A152 Q172 D173 H176	S151-Y154 PolarHBondContact O-N 2.68Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.47Å; Y154-Q172 HydrophobicContact CE2-CG 3.89Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.37Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D173 PolarHBondContact OH-N 2.76Å; Y154-D173 PolarHBondContact OH-OD1 2.92Å; Y154-D173 VanDerWaalsContact OH-OD1 3.1Å; Y154-H176 HydrophobicContact CD1-CB 3.66Å; Y154-H176 AromaticContact CD1-CG 3.59Å; Y154-H176 AromaticContact CD1-ND1 3.76Å; Y154-H176 AromaticContact CD2-CE1 3.47Å; Y154-H176 VanDerWaalsContact CD2-CE1 3.47Å; Y154-H176 WeakPolarHBondContact CD2-CE1 3.43Å; Y154-H176 AromaticContact CD2-ND1 3.74Å; Y154-H176 AromaticContact CD2-NE2 3.73Å; Y154-H176 HydrophobicContact CE1-CB 3.98Å; Y154-H176 AromaticContact CE1-CG 3.92Å; Y154-H176 AromaticContact CE1-ND1 3.68Å; Y154-H176 AromaticContact CE2-CE1 3.56Å; Y154-H176 AromaticContact CE2-ND1 3.67Å; Y154-H176 HydrophobicContact CG-CB 4.22Å; Y154-H176 AromaticContact CG-CD2 3.74Å; Y154-H176 AromaticContact CG-CE1 3.86Å; Y154-H176 AromaticContact CG-CG 3.68Å; Y154-H176 AromaticContact CG-ND1 3.79Å; Y154-H176 AromaticContact CG-NE2 3.88Å; Y154-H176 AromaticContact CZ-ND1 3.64Å
155	Y	98.3	Very high	96.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-80.7	-40.8	-179.4	-64.5	-56.4	0	0	0	113.6	I73 N76 T77 S151 A152 A153 N157 D158 L159 I162 D173 H176 S177	I73-Y155 HydrophobicContact CB-CE1 4.35Å; I73-Y155 HydrophobicContact CG1-CE1 4.13Å; I73-Y155 HydrophobicContact CG2-CD1 3.77Å; I73-Y155 HydrophobicContact CG2-CE1 3.5Å; I73-Y155 VanDerWaalsContact CG2-CE1 3.5Å; I73-Y155 HydrophobicContact CG2-CG 4.46Å; N76-Y155 HydrophobicContact CB-CE2 4.43Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.31Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.21Å; S151-Y155 PolarHBondContact O-N 3.33Å; A152-Y155 PolarHBondContact O-N 3.31Å; A153-Y155 PolarHBondContact O-N 2.81Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 2.79Å; Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.2Å; Y155-D158 VanDerWaalsContact O-N 3.14Å; Y155-L159 PolarHBondContact O-N 2.81Å; Y155-I162 HydrophobicContact CD1-CD1 4.11Å; Y155-I162 HydrophobicContact CD1-CG2 4.48Å; Y155-I162 HydrophobicContact CG-CD1 4.4Å; Y155-D173 HydrophobicContact CE1-CB 4.38Å; Y155-D173 PolarHBondContact OH-O 3.07Å; Y155-H176 HydrophobicContact CE2-CB 4.21Å; Y155-H176 VanDerWaalsContact OH-C 3.26Å; Y155-S177 VanDerWaalsContact OH-CA 3.31Å; Y155-S177 WeakPolarHBondContact OH-CA 3.4Å; Y155-S177 PolarHBondContact OH-N 3.3Å
156	L	98.4	Very high	96.3	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-33	-176.3	-66.5	171	0	0	0	111.9	T77 I81 I84 I127 W131 A152 D158 L159	T77-L156 HydrophobicContact CG2-CD2 3.87Å; I81-L156 HydrophobicContact CB-CD2 4.19Å; I84-L156 HydrophobicContact CD1-CD1 3.95Å; I127-L156 HydrophobicContact CG2-CD2 3.67Å; W131-L156 HydrophobicContact CD2-CB 3.64Å; W131-L156 HydrophobicContact CD2-CD1 4.02Å; W131-L156 HydrophobicContact CD2-CG 4.35Å; W131-L156 VanDerWaalsContact CE2-CB 3.5Å; W131-L156 HydrophobicContact CE3-CB 4.23Å; W131-L156 HydrophobicContact CE3-CD1 3.71Å; W131-L156 HydrophobicContact CG-CB 3.89Å; W131-L156 HydrophobicContact CH2-CD1 4.13Å; W131-L156 HydrophobicContact CZ2-CB 3.97Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.79Å; W131-L156 PolarHBondContact NE1-O 2.96Å; A152-L156 HydrophobicContact CB-CD1 4.26Å; A152-L156 VanDerWaalsContact O-CB 3.23Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.32Å; L156-D158 PolarHBondContact O-N 2.89Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 VanDerWaalsContact O-CD1 3.29Å; L156-L159 WeakPolarHBondContact O-CD1 3.49Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å
157	N	98.1	Very high	96.2	Very high	112 Å²	112	42 Å²	42	60%	0.599	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.5	174.7	-69.6	-21.7	0	0	0	113.4	W131 A153 Y155	W131-N157 WeakPolarHBondContact CZ2-OD1 3.48Å; W131-N157 PolarHBondContact NE1-OD1 3.5Å; A153-N157 WeakPolarHBondContact O-CB 3.22Å; A153-N157 PolarHBondContact O-N 3.35Å; A153-N157 PolarHBondContact O-ND2 3.06Å; A153-N157 VanDerWaalsContact O-ND2 3.13Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 2.79Å
158	D	97.1	Very high	96.2	Very high	59 Å²	59	41.9 Å²	41.9	32%	0.316	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	30	-172.6	-151.7	-0.9	0	0	0	112.4	Y155 L156 D160 R161 I162	Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.2Å; Y155-D158 VanDerWaalsContact O-N 3.14Å; L156-D158 PolarHBondContact O-N 2.89Å; D158-D160 PolarHBondContact O-N 2.8Å; D158-R161 PolarHBondContact O-N 2.74Å; D158-R161 VanDerWaalsContact O-N 3.09Å; D158-R161 WeakPolarHBondContact OD1-CB 3.4Å; D158-R161 IonicContact OD1-NE 2.76Å; D158-R161 IonicContact OD2-CZ 3.96Å; D158-R161 IonicContact OD2-NE 3.01Å; D158-R161 PolarHBondContact OD2-NE 3.34Å; D158-R161 IonicContact OD2-NH2 3.11Å; D158-R161 PolarHBondContact OD2-NH2 3.44Å; D158-R161 VanDerWaalsContact OD2-NH2 3.17Å; D158-I162 PolarHBondContact O-N 2.89Å; D158-I162 VanDerWaalsContact O-N 3.13Å
159	L	97	Very high	96.2	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-54.3	-38.6	179.8	-80.4	162.9	0	0	0	112.2	T77 I127 K128 Y155 L156 R161 I162 T163	T77-L159 HydrophobicContact CG2-CD2 3.81Å; I127-L159 HydrophobicContact CB-CD1 4.38Å; I127-L159 HydrophobicContact CG2-CD1 3.67Å; I127-L159 HydrophobicContact CG2-CD2 4.08Å; K128-L159 HydrophobicContact CB-CD1 4.37Å; K128-L159 HydrophobicContact CD-CB 4.3Å; K128-L159 HydrophobicContact CG-CB 3.72Å; K128-L159 HydrophobicContact CG-CD1 3.62Å; K128-L159 HydrophobicContact CG-CG 4.27Å; Y155-L159 PolarHBondContact O-N 2.81Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 VanDerWaalsContact O-CD1 3.29Å; L156-L159 WeakPolarHBondContact O-CD1 3.49Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.03Å; L159-I162 HydrophobicContact CD2-CD1 4.34Å; L159-T163 VanDerWaalsContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 VanDerWaalsContact O-CG2 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.34Å; L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 2.95Å
160	D	96.5	Very high	96.4	Very high	96 Å²	96	43.1 Å²	43.1	51%	0.513	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-41.9	178.8	-71.8	-43.9	0	0	0	111.8	K128 D158 A164	K128-D160 WeakPolarHBondContact CE-OD1 3.46Å; K128-D160 IonicContact NZ-OD1 2.67Å; K128-D160 PolarHBondContact NZ-OD1 3.3Å; D158-D160 PolarHBondContact O-N 2.8Å; D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.76Å
161	R	97.5	Very high	96.7	Very high	65 Å²	65	43.5 Å²	43.5	25%	0.245	26%	0.262	C	S	.	.	H	α-helix	trans	-69.3	-51.2	177.6	-178.1	-178.5	60.6	84.6	2.3	111.7	D158 L159 T163 A164 D173	D158-R161 PolarHBondContact O-N 2.74Å; D158-R161 VanDerWaalsContact O-N 3.09Å; D158-R161 WeakPolarHBondContact OD1-CB 3.4Å; D158-R161 IonicContact OD1-NE 2.76Å; D158-R161 IonicContact OD2-CZ 3.96Å; D158-R161 IonicContact OD2-NE 3.01Å; D158-R161 PolarHBondContact OD2-NE 3.34Å; D158-R161 IonicContact OD2-NH2 3.11Å; D158-R161 PolarHBondContact OD2-NH2 3.44Å; D158-R161 VanDerWaalsContact OD2-NH2 3.17Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.03Å; R161-T163 PolarHBondContact O-N 3.1Å; R161-A164 WeakPolarHBondContact O-CB 3.03Å; R161-A164 PolarHBondContact O-N 3.46Å; R161-D173 IonicContact CZ-OD1 3.35Å; R161-D173 IonicContact CZ-OD2 3.81Å; R161-D173 VanDerWaalsContact NH1-CG 3.3Å; R161-D173 IonicContact NH1-OD1 2.62Å; R161-D173 PolarHBondContact NH1-OD1 2.9Å; R161-D173 IonicContact NH1-OD2 2.86Å; R161-D173 PolarHBondContact NH1-OD2 2.88Å; R161-D173 IonicContact NH2-OD1 2.73Å; R161-D173 PolarHBondContact NH2-OD1 3.46Å; R161-D173 IonicContact NH2-OD2 3.3Å
162	I	96.8	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-72.7	-16.3	-173.4	69.7	175.3	0	0	0	112.4	I73 Y74 T77 Y155 D158 L159 Y167	I73-I162 HydrophobicContact CG2-CD1 4.4Å; Y74-I162 WeakPolarHBondContact CE1-O 3.18Å; Y74-I162 PolarHBondContact OH-O 2.91Å; T77-I162 HydrophobicContact CG2-CD1 4.32Å; Y155-I162 HydrophobicContact CD1-CD1 4.11Å; Y155-I162 HydrophobicContact CD1-CG2 4.48Å; Y155-I162 HydrophobicContact CG-CD1 4.4Å; D158-I162 PolarHBondContact O-N 2.89Å; D158-I162 VanDerWaalsContact O-N 3.13Å; L159-I162 HydrophobicContact CD2-CD1 4.34Å; I162-Y167 HydrophobicContact CB-CD1 4.28Å; I162-Y167 HydrophobicContact CB-CE1 3.87Å; I162-Y167 HydrophobicContact CB-CE2 4.31Å; I162-Y167 HydrophobicContact CG2-CE1 4.26Å; I162-Y167 HydrophobicContact CG2-CE2 4.06Å; I162-Y167 WeakPolarHBondContact O-CD1 3.48Å
163	T	95.4	Very high	96.8	Very high	35 Å²	35	46.2 Å²	46.2	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	2.8	177.3	67.9	0	0	0	0	114	M119 A124 L159 R161	M119-T163 HydrophobicContact CG-CG2 3.56Å; A124-T163 HydrophobicContact CB-CG2 3.66Å; L159-T163 VanDerWaalsContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 VanDerWaalsContact O-CG2 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.34Å; L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 2.95Å; R161-T163 PolarHBondContact O-N 3.1Å
164	A	95.8	Very high	96.9	Very high	48 Å²	48	45 Å²	45	40%	0.397	26%	0.263	S	S	.	.	S	Bend	trans	-62.1	149.1	175.3	0	0	0	0	0	112.2	D160 R161 G166 Y167	D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.76Å; R161-A164 WeakPolarHBondContact O-CB 3.03Å; R161-A164 PolarHBondContact O-N 3.46Å; A164-G166 PolarHBondContact O-N 2.81Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.84Å
165	S	93.1	Very high	96.9	Very high	126 Å²	126	42.6 Å²	42.6	88%	0.881	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	124.7	172.7	65.3	0	0	0	0	109.7
166	G	92.6	Very high	96.9	Very high	70 Å²	70	44.3 Å²	44.3	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	14.4	-176.9	0	0	0	0	0	114.6	A164 V168	A164-G166 PolarHBondContact O-N 2.81Å; G166-V168 PolarHBondContact O-N 2.93Å
167	Y	95.8	Very high	96.8	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.047	26%	0.263	C	S	.	.			trans	-53.7	123.2	171	168.2	-118.7	0	0	0	111.5	K70 Y74 I162 A164 P169 D173	K70-Y167 HydrophobicContact CG-CD1 4.49Å; K70-Y167 PolarHBondContact NZ-O 3.1Å; Y74-Y167 HydrophobicContact CE1-CD1 4.31Å; Y74-Y167 HydrophobicContact CE1-CE1 4.33Å; I162-Y167 HydrophobicContact CB-CD1 4.28Å; I162-Y167 HydrophobicContact CB-CE1 3.87Å; I162-Y167 HydrophobicContact CB-CE2 4.31Å; I162-Y167 HydrophobicContact CG2-CE1 4.26Å; I162-Y167 HydrophobicContact CG2-CE2 4.06Å; I162-Y167 WeakPolarHBondContact O-CD1 3.48Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.84Å; Y167-P169 HydrophobicContact CE1-CG 3.91Å; Y167-P169 WeakPolarHBondContact OH-CA 3.38Å; Y167-D173 PolarHBondContact OH-OD2 3.17Å
168	V	96.2	Very high	96.6	Very high	55 Å²	55	41.7 Å²	41.7	33%	0.333	24%	0.244	S	C	.	.			trans	-114.7	125.3	168.7	179.4	0	0	0	0	107.7	E63 C66 M67 G166	E63-V168 HydrophobicContact CG-CG1 3.68Å; C66-V168 HydrophobicContact CB-CG1 4.49Å; M67-V168 HydrophobicContact CG-CG1 4.17Å; M67-V168 HydrophobicContact SD-CB 4.14Å; M67-V168 HydrophobicContact SD-CG1 3.98Å; M67-V168 HydrophobicContact SD-CG2 3.89Å; G166-V168 PolarHBondContact O-N 2.93Å
169	P	98.1	Very high	96.5	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.026	25%	0.253	C	S	.	.			trans	-56.3	140.9	175.4	-27.4	37.1	0	0	0	112.5	C66 K70 I73 Y167 D173	C66-P169 HydrophobicContact CB-CB 4.3Å; C66-P169 WeakPolarHBondContact CB-O 3.18Å; C66-P169 WeakPolarHBondContact O-CB 3.34Å; C66-P169 VanDerWaalsContact O-CG 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.4Å; C66-P169 PolarHBondContact SG-O 3.04Å; K70-P169 HydrophobicContact CB-CG 4.04Å; I73-P169 HydrophobicContact CD1-CB 3.62Å; I73-P169 HydrophobicContact CD1-CG 3.62Å; Y167-P169 HydrophobicContact CE1-CG 3.91Å; Y167-P169 WeakPolarHBondContact OH-CA 3.38Å; P169-D173 WeakPolarHBondContact CA-OD2 3.5Å; P169-D173 HydrophobicContact CB-CB 4.05Å
170	N	97.6	Very high	96.4	Very high	66 Å²	66	47.2 Å²	47.2	35%	0.353	27%	0.272	S	S	.	.			trans	-96.9	175.1	169.4	64.9	39.5	0	0	0	110.5	Q172 D173 V174	N170-Q172 PolarHBondContact O-N 3.42Å; N170-Q172 WeakPolarHBondContact OD1-CA 3.21Å; N170-Q172 VanDerWaalsContact OD1-CB 3.29Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.44Å; N170-Q172 PolarHBondContact OD1-N 3.45Å; N170-D173 PolarHBondContact N-OD2 2.86Å; N170-D173 WeakPolarHBondContact O-CB 3.32Å; N170-D173 PolarHBondContact O-N 3.27Å; N170-D173 VanDerWaalsContact O-N 3.11Å; N170-D173 PolarHBondContact OD1-N 3.31Å; N170-D173 PolarHBondContact OD1-OD2 3.2Å; N170-V174 WeakPolarHBondContact O-CG2 3.37Å; N170-V174 PolarHBondContact O-N 3.07Å
171	E	97.7	Very high	96.3	Very high	69 Å²	69	43.5 Å²	43.5	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-30.1	179.7	-63	-171.4	143	0	0	113	I55 G60 Y61 V174 L175	I55-E171 HydrophobicContact CD1-CB 4Å; I55-E171 HydrophobicContact CD1-CG 4.48Å; G60-E171 WeakPolarHBondContact CA-OE1 3.47Å; Y61-E171 HydrophobicContact CD2-CG 4.47Å; Y61-E171 PolarHBondContact N-OE1 3.24Å; Y61-E171 VanDerWaalsContact N-OE1 3.14Å; E171-V174 WeakPolarHBondContact O-CB 3.45Å; E171-V174 PolarHBondContact O-N 2.96Å; E171-L175 VanDerWaalsContact O-CG 3.27Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å
172	Q	97.8	Very high	96.2	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.308	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-36.9	176.8	-161.8	64.1	6.8	0	0	111.9	Y154 N170 V174 L175 H176 T327	Y154-Q172 HydrophobicContact CE2-CG 3.89Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.37Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; N170-Q172 PolarHBondContact O-N 3.42Å; N170-Q172 WeakPolarHBondContact OD1-CA 3.21Å; N170-Q172 VanDerWaalsContact OD1-CB 3.29Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.44Å; N170-Q172 PolarHBondContact OD1-N 3.45Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-L175 PolarHBondContact O-N 3.25Å; Q172-H176 PolarHBondContact NE2-CE1 3.39Å; Q172-H176 PolarHBondContact O-N 2.82Å; Q172-H176 PolarHBondContact O-ND1 3.08Å; Q172-T327 PolarHBondContact NE2-O 2.74Å; Q172-T327 PolarHBondContact OE1-O 3.22Å
173	D	98.2	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-44.8	169.7	-58.4	-46.7	0	0	0	110.2	I73 Y154 Y155 R161 Y167 P169 N170 L175 H176 S177	I73-D173 HydrophobicContact CD1-CB 3.72Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D173 PolarHBondContact OH-N 2.76Å; Y154-D173 PolarHBondContact OH-OD1 2.92Å; Y154-D173 VanDerWaalsContact OH-OD1 3.1Å; Y155-D173 HydrophobicContact CE1-CB 4.38Å; Y155-D173 PolarHBondContact OH-O 3.07Å; R161-D173 IonicContact CZ-OD1 3.35Å; R161-D173 IonicContact CZ-OD2 3.81Å; R161-D173 VanDerWaalsContact NH1-CG 3.3Å; R161-D173 IonicContact NH1-OD1 2.62Å; R161-D173 PolarHBondContact NH1-OD1 2.9Å; R161-D173 IonicContact NH1-OD2 2.86Å; R161-D173 PolarHBondContact NH1-OD2 2.88Å; R161-D173 IonicContact NH2-OD1 2.73Å; R161-D173 PolarHBondContact NH2-OD1 3.46Å; R161-D173 IonicContact NH2-OD2 3.3Å; Y167-D173 PolarHBondContact OH-OD2 3.17Å; P169-D173 WeakPolarHBondContact CA-OD2 3.5Å; P169-D173 HydrophobicContact CB-CB 4.05Å; N170-D173 PolarHBondContact N-OD2 2.86Å; N170-D173 WeakPolarHBondContact O-CB 3.32Å; N170-D173 PolarHBondContact O-N 3.27Å; N170-D173 VanDerWaalsContact O-N 3.11Å; N170-D173 PolarHBondContact OD1-N 3.31Å; N170-D173 PolarHBondContact OD1-OD2 3.2Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.64Å; D173-H176 PolarHBondContact O-N 3.48Å; D173-S177 PolarHBondContact O-N 3.45Å
174	V	98.1	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.9	-42.5	176.7	176.1	0	0	0	0	110.8	K51 Y61 F69 N170 E171 Q172 S177	K51-V174 HydrophobicContact CD-CG1 4.2Å; K51-V174 WeakPolarHBondContact CD-O 3.47Å; K51-V174 PolarHBondContact NZ-O 3.37Å; Y61-V174 HydrophobicContact CD1-CG1 4.28Å; Y61-V174 HydrophobicContact CD2-CG1 4.21Å; Y61-V174 HydrophobicContact CE1-CG1 3.92Å; Y61-V174 HydrophobicContact CE2-CG1 3.85Å; Y61-V174 HydrophobicContact CG-CG1 4.42Å; F69-V174 HydrophobicContact CB-CG2 4.29Å; F69-V174 HydrophobicContact CD1-CG1 4.27Å; F69-V174 HydrophobicContact CD2-CB 4.44Å; F69-V174 HydrophobicContact CD2-CG1 4.02Å; F69-V174 HydrophobicContact CD2-CG2 3.69Å; F69-V174 HydrophobicContact CE1-CG1 4.01Å; F69-V174 HydrophobicContact CE2-CG1 3.75Å; F69-V174 HydrophobicContact CE2-CG2 4.19Å; F69-V174 HydrophobicContact CG-CG1 4.28Å; F69-V174 HydrophobicContact CG-CG2 3.95Å; F69-V174 HydrophobicContact CZ-CG1 3.75Å; N170-V174 WeakPolarHBondContact O-CG2 3.37Å; N170-V174 PolarHBondContact O-N 3.07Å; E171-V174 WeakPolarHBondContact O-CB 3.45Å; E171-V174 PolarHBondContact O-N 2.96Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; V174-S177 PolarHBondContact O-N 2.91Å; V174-S177 PolarHBondContact O-OG 3.16Å
175	L	98.1	Very high	96.1	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-37.5	178.6	-72.3	169.7	0	0	0	113.4	T48 K51 Q52 I55 E171 Q172 D173 T327	T48-L175 HydrophobicContact CG2-CB 4.36Å; T48-L175 HydrophobicContact CG2-CD2 3.79Å; K51-L175 HydrophobicContact CB-CD2 3.87Å; Q52-L175 HydrophobicContact CG-CD2 3.68Å; I55-L175 HydrophobicContact CD1-CD1 3.84Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.87Å; E171-L175 VanDerWaalsContact O-CG 3.27Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å; Q172-L175 PolarHBondContact O-N 3.25Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.64Å; L175-T327 HydrophobicContact CB-CG2 4.28Å
176	H	98.1	Very high	96.3	Very high	37 Å²	37	46.1 Å²	46.1	17%	0.171	26%	0.258	C	S	.	.	H	α-helix	trans	-80.7	-18.4	177.1	-71.9	94.4	0	0	0	113.7	S151 Y154 Y155 Q172 D173 R178	S151-H176 WeakPolarHBondContact CB-O 3.11Å; Y154-H176 HydrophobicContact CD1-CB 3.66Å; Y154-H176 AromaticContact CD1-CG 3.59Å; Y154-H176 AromaticContact CD1-ND1 3.76Å; Y154-H176 AromaticContact CD2-CE1 3.47Å; Y154-H176 VanDerWaalsContact CD2-CE1 3.47Å; Y154-H176 WeakPolarHBondContact CD2-CE1 3.43Å; Y154-H176 AromaticContact CD2-ND1 3.74Å; Y154-H176 AromaticContact CD2-NE2 3.73Å; Y154-H176 HydrophobicContact CE1-CB 3.98Å; Y154-H176 AromaticContact CE1-CG 3.92Å; Y154-H176 AromaticContact CE1-ND1 3.68Å; Y154-H176 AromaticContact CE2-CE1 3.56Å; Y154-H176 AromaticContact CE2-ND1 3.67Å; Y154-H176 HydrophobicContact CG-CB 4.22Å; Y154-H176 AromaticContact CG-CD2 3.74Å; Y154-H176 AromaticContact CG-CE1 3.86Å; Y154-H176 AromaticContact CG-CG 3.68Å; Y154-H176 AromaticContact CG-ND1 3.79Å; Y154-H176 AromaticContact CG-NE2 3.88Å; Y154-H176 AromaticContact CZ-ND1 3.64Å; Y155-H176 HydrophobicContact CE2-CB 4.21Å; Y155-H176 VanDerWaalsContact OH-C 3.26Å; Q172-H176 PolarHBondContact NE2-CE1 3.39Å; Q172-H176 PolarHBondContact O-N 2.82Å; Q172-H176 PolarHBondContact O-ND1 3.08Å; D173-H176 PolarHBondContact O-N 3.48Å; H176-R178 PolarHBondContact O-N 3.09Å
177	S	97	Very high	96.4	Very high	5 Å²	5	44 Å²	44	4%	0.035	23%	0.231	C	C	.	.			trans	-63.5	138	178.6	69.4	0	0	0	0	111.5	K51 F69 Y155 D173 V174	K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 3.16Å; F69-S177 VanDerWaalsContact CD1-OG 3.3Å; F69-S177 WeakPolarHBondContact CD1-OG 3.38Å; Y155-S177 VanDerWaalsContact OH-CA 3.31Å; Y155-S177 WeakPolarHBondContact OH-CA 3.4Å; Y155-S177 PolarHBondContact OH-N 3.3Å; D173-S177 PolarHBondContact O-N 3.45Å; V174-S177 PolarHBondContact O-N 2.91Å; V174-S177 PolarHBondContact O-OG 3.16Å
178	R	95.1	Very high	96.4	Very high	55 Å²	55	47.5 Å²	47.5	21%	0.208	25%	0.247	C	C	.	.			trans	-116.6	115.2	-176.9	179	60.6	-178.5	133.4	0.4	110.5	E43 N76 H176	E43-R178 IonicContact OE1-NH2 3.21Å; N76-R178 PolarHBondContact ND2-O 3.2Å; N76-R178 PolarHBondContact OD1-N 3.22Å; N76-R178 PolarHBondContact OD1-O 3.3Å; H176-R178 PolarHBondContact O-N 3.09Å
179	V	94.8	Very high	96.4	Very high	81 Å²	81	45.2 Å²	45.2	49%	0.491	23%	0.233	S	C	.	.			trans	-120.6	129.7	164.9	-176.4	0	0	0	0	107.7	V72 T181	V72-V179 HydrophobicContact CB-CG2 4.47Å; V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.05Å; V179-T181 PolarHBondContact O-N 3Å; V179-T181 VanDerWaalsContact O-N 3.16Å
180	K	94.5	Very high	96.2	Very high	99 Å²	99	48.9 Å²	48.9	43%	0.43	26%	0.259	S	S	.	.			trans	-64	114.7	173.2	173.2	-177.8	160.5	165.2	0	109.1	T182 Q204	K180-T182 PolarHBondContact O-N 3.17Å; K180-Q204 VanDerWaalsContact CD-OE1 3.24Å
181	T	94.9	Very high	95.9	Very high	18 Å²	18	48 Å²	48	11%	0.11	25%	0.252	C	S	.	.			trans	-66.3	123.2	174.5	-43.5	0	0	0	0	110.5	S47 V179 I185 G202	S47-T181 PolarHBondContact OG-OG1 2.81Å; V179-T181 PolarHBondContact O-N 3Å; V179-T181 VanDerWaalsContact O-N 3.16Å; T181-I185 HydrophobicContact CG2-CD1 3.89Å; T181-I185 HydrophobicContact CG2-CG1 4.39Å; T181-G202 VanDerWaalsContact O-CA 3.31Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å
182	T	94	Very high	95.5	Very high	92 Å²	92	48.7 Å²	48.7	56%	0.564	25%	0.254	S	S	*	.			trans	-114.9	135.5	172.7	56.8	0	0	0	0	109.5	K180 E207	K180-T182 PolarHBondContact O-N 3.17Å; T182-E207 WeakPolarHBondContact CA-OE2 3.25Å
183	G	94.1	Very high	94.9	Very high	18 Å²	18	52.6 Å²	52.6	19%	0.186	28%	0.277	C	S	.	.	S	Bend	trans	75.4	-145.4	-179	0	0	0	0	0	113.3	G202 E207	G183-G202 PolarHBondContact O-N 3.22Å; G183-E207 PolarHBondContact N-OE2 3.41Å
184	I	95.7	Very high	94.7	Very high	65 Å²	65	53.8 Å²	53.8	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	-174.8	-60.9	157.4	0	0	0	107.1	F199 D200 V201 H213 C214	I184-F199 HydrophobicContact CG2-CD1 3.91Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; I184-H213 HydrophobicContact CD1-CB 3.86Å; I184-C214 VanDerWaalsContact CD1-SG 3.58Å; I184-C214 WeakPolarHBondContact CG2-SG 3.4Å
185	I	96.1	Very high	94.4	Very high	83 Å²	83	56.2 Å²	56.2	43%	0.426	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.3	178	-58.2	178.7	0	0	0	107.8	T181 F199 D200	T181-I185 HydrophobicContact CG2-CD1 3.89Å; T181-I185 HydrophobicContact CG2-CG1 4.39Å; I185-F199 WeakPolarHBondContact O-CA 3.29Å; I185-D200 PolarHBondContact N-O 2.65Å; I185-D200 PolarHBondContact O-N 3.32Å
186	E	96.9	Very high	94.3	Very high	70 Å²	70	56.1 Å²	56.1	33%	0.327	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.6	174.1	-173.5	179.7	158.1	0	0	110	Q188 R197 M198 F199	E186-Q188 HydrophobicContact CG-CG 4.37Å; E186-Q188 PolarHBondContact OE1-NE2 3.17Å; E186-R197 IonicContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 3.81Å; E186-R197 PolarHBondContact OE1-NE 3.27Å; E186-R197 IonicContact OE1-NH2 2.73Å; E186-R197 PolarHBondContact OE1-NH2 3.43Å; E186-R197 VanDerWaalsContact OE1-NH2 3.11Å; E186-R197 IonicContact OE2-CZ 3.76Å; E186-R197 IonicContact OE2-NE 3.5Å; E186-R197 IonicContact OE2-NH2 2.66Å; E186-R197 PolarHBondContact OE2-NH2 3.09Å; E186-M198 CarbonylContact C-O 3.49Å; E186-M198 WeakPolarHBondContact CA-O 3.2Å; E186-F199 HydrophobicContact CB-CD1 4.25Å; E186-F199 HydrophobicContact CB-CE1 4.01Å; E186-F199 HydrophobicContact CB-CZ 4.45Å; E186-F199 HydrophobicContact CG-CD1 4.37Å; E186-F199 HydrophobicContact CG-CE1 3.91Å; E186-F199 HydrophobicContact CG-CE2 4.24Å; E186-F199 HydrophobicContact CG-CZ 3.84Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.29Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.37Å
187	T	96.1	Very high	94.3	Very high	26 Å²	26	58.5 Å²	58.5	16%	0.16	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.1	172.2	-63.7	0	0	0	0	109.6	V50 M198	V50-T187 HydrophobicContact CG1-CG2 4.03Å; V50-T187 VanDerWaalsContact CG1-OG1 3.24Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.47Å; T187-M198 PolarHBondContact N-O 3.03Å; T187-M198 PolarHBondContact O-N 3.19Å
188	Q	96.3	Very high	94.3	Very high	85 Å²	85	58.2 Å²	58.2	40%	0.397	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.5	-179.1	-60.2	179.9	5.8	0	0	111.8	K58 E186 F196 R197	K58-Q188 WeakPolarHBondContact CD-O 3.22Å; K58-Q188 PolarHBondContact NZ-O 2.66Å; E186-Q188 HydrophobicContact CG-CG 4.37Å; E186-Q188 PolarHBondContact OE1-NE2 3.17Å; Q188-F196 VanDerWaalsContact CA-O 3.27Å; Q188-F196 WeakPolarHBondContact CA-O 3.41Å; Q188-R197 HydrophobicContact CG-CG 4.24Å
189	F	95.7	Very high	94.5	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.8	176.1	59.3	-84.6	0	0	0	110.6	M53 H57 K58 F196 M198 F336	M53-F189 HydrophobicContact CB-CD1 3.87Å; M53-F189 HydrophobicContact CB-CE1 3.68Å; M53-F189 HydrophobicContact CB-CG 4.42Å; M53-F189 HydrophobicContact CB-CZ 4.06Å; M53-F189 HydrophobicContact CG-CD1 4.31Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.43Å; M53-F189 HydrophobicContact CG-CZ 3.67Å; M53-F189 HydrophobicContact SD-CE1 4.08Å; M53-F189 HydrophobicContact SD-CE2 3.87Å; M53-F189 HydrophobicContact SD-CZ 3.48Å; M53-F189 WeakPolarHBondContact SD-CZ 3.31Å; H57-F189 HydrophobicContact CB-CB 4.05Å; H57-F189 HydrophobicContact CB-CD2 3.92Å; H57-F189 HydrophobicContact CB-CG 4.27Å; H57-F189 AromaticContact CD2-CD2 3.71Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.92Å; K58-F189 HydrophobicContact CD-CB 4.21Å; K58-F189 HydrophobicContact CG-CB 4.03Å; F189-F196 HydrophobicContact CD1-CB 4.13Å; F189-F196 HydrophobicContact CD2-CB 3.94Å; F189-F196 HydrophobicContact CD2-CD2 4.2Å; F189-F196 HydrophobicContact CD2-CG 4.3Å; F189-F196 HydrophobicContact CE1-CB 3.79Å; F189-F196 HydrophobicContact CE2-CB 3.58Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.2Å; F189-F196 HydrophobicContact CZ-CB 3.5Å; F189-F196 HydrophobicContact CZ-CD1 4.31Å; F189-F196 HydrophobicContact CZ-CD2 4.44Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.04Å; F189-M198 HydrophobicContact CE1-CB 4Å; F189-M198 HydrophobicContact CE1-CE 3.96Å; F189-M198 HydrophobicContact CE1-SD 4.39Å; F189-M198 HydrophobicContact CZ-CE 3.9Å; F189-F336 AromaticContact CE2-CE1 3.79Å; F189-F336 HydrophobicContact CE2-CE1 3.79Å; F189-F336 AromaticContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CE1 4.07Å; F189-F336 HydrophobicContact CZ-CE2 4.37Å; F189-F336 AromaticContact CZ-CZ 3.6Å; F189-F336 HydrophobicContact CZ-CZ 3.6Å
190	S	92.6	Very high	94.6	Very high	82 Å²	82	52.7 Å²	52.7	57%	0.573	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	138.3	178.4	-69.4	0	0	0	0	110.6	L194	S190-L194 VanDerWaalsContact CA-O 3.3Å; S190-L194 WeakPolarHBondContact CA-O 3.37Å
191	F	92.4	Very high	94.8	Very high	46 Å²	46	48 Å²	48	20%	0.202	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	135.2	179.3	178.6	-124.1	0	0	0	110.2	H57 D193 L194 F196 F336 D337 T340	H57-F191 AromaticContact CE1-CD2 3.33Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.33Å; H57-F191 AromaticContact CE1-CE2 3.76Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.7Å; F191-D193 VanDerWaalsContact C-N 3.31Å; F191-D193 PolarHBondContact O-N 3.48Å; F191-L194 PolarHBondContact N-O 3.21Å; F191-L194 WeakPolarHBondContact O-CB 3.2Å; F191-L194 PolarHBondContact O-N 2.67Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.8Å; F191-F196 HydrophobicContact CD1-CE2 4.23Å; F191-F336 HydrophobicContact CD1-CD1 4.34Å; F191-F336 HydrophobicContact CD1-CE1 4.09Å; F191-F336 HydrophobicContact CE1-CD1 4.43Å; F191-D337 VanDerWaalsContact CZ-OD1 3.29Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.08Å; F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 HydrophobicContact CE1-CG2 3.85Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.31Å
192	K	88.9	Confident	94.8	Very high	84 Å²	84	47.2 Å²	47.2	37%	0.365	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	48.2	-177.5	-68.6	-179.3	165.1	172.3	0	113.5	L194 D337 T340 D341 I344	K192-L194 PolarHBondContact O-N 3.1Å; K192-D337 WeakPolarHBondContact CE-OD1 3.35Å; K192-D337 IonicContact NZ-OD1 2.59Å; K192-D337 PolarHBondContact NZ-OD1 3.09Å; K192-D337 IonicContact NZ-OD2 2.8Å; K192-T340 HydrophobicContact CD-CG2 3.96Å; K192-D341 IonicContact NZ-OD1 2.63Å; K192-D341 PolarHBondContact NZ-OD1 3.11Å; K192-D341 IonicContact NZ-OD2 2.9Å; K192-D341 PolarHBondContact NZ-OD2 2.85Å; K192-I344 HydrophobicContact CD-CD1 4.29Å
193	D	86.4	Confident	94.9	Very high	149 Å²	149	43.1 Å²	43.1	80%	0.797	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	8.6	-177.3	-56.2	-41.5	0	0	0	116.2	F191	F191-D193 VanDerWaalsContact C-N 3.31Å; F191-D193 PolarHBondContact O-N 3.48Å
194	L	92.4	Very high	95	Very high	24 Å²	24	43.7 Å²	43.7	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146.5	173.1	-60.7	171.9	0	0	0	110.6	R32 V34 S190 F191 K192 F196 T340 I344	R32-L194 HydrophobicContact CB-CD2 4.39Å; R32-L194 WeakPolarHBondContact O-CA 3.34Å; V34-L194 HydrophobicContact CG2-CB 4.36Å; V34-L194 HydrophobicContact CG2-CD1 4.03Å; V34-L194 HydrophobicContact CG2-CD2 4.37Å; V34-L194 HydrophobicContact CG2-CG 4.5Å; S190-L194 VanDerWaalsContact CA-O 3.3Å; S190-L194 WeakPolarHBondContact CA-O 3.37Å; F191-L194 PolarHBondContact N-O 3.21Å; F191-L194 WeakPolarHBondContact O-CB 3.2Å; F191-L194 PolarHBondContact O-N 2.67Å; K192-L194 PolarHBondContact O-N 3.1Å; L194-F196 HydrophobicContact CB-CD2 4.18Å; L194-F196 HydrophobicContact CB-CE2 3.65Å; L194-F196 HydrophobicContact CB-CZ 4.21Å; L194-F196 HydrophobicContact CD1-CE2 4.22Å; L194-F196 HydrophobicContact CD1-CZ 4.01Å; L194-T340 HydrophobicContact CD1-CG2 4.33Å; L194-I344 HydrophobicContact CD1-CD1 3.93Å; L194-I344 HydrophobicContact CD1-CG1 3.66Å
195	H	93.4	Very high	95	Very high	52 Å²	52	44.8 Å²	44.8	24%	0.241	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	110.4	171.9	-179.9	67.4	0	0	0	109.4	R32 T33 V34	R32-H195 PolarHBondContact O-N 3.22Å; T33-H195 CarbonylContact C-O 3.55Å; T33-H195 VanDerWaalsContact CA-O 3.3Å; T33-H195 WeakPolarHBondContact CA-O 3.47Å; V34-H195 PolarHBondContact N-O 3.06Å
196	F	96.1	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130.8	-179.3	-72.9	-91.8	0	0	0	111	V34 L36 Q188 F189 F191 L194 F336 T340	V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.81Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CB-CZ 4.49Å; V34-F196 HydrophobicContact CG1-CD1 3.75Å; V34-F196 HydrophobicContact CG1-CE1 3.63Å; V34-F196 HydrophobicContact CG2-CE1 4.25Å; V34-F196 WeakPolarHBondContact O-CA 3.29Å; L36-F196 HydrophobicContact CD1-CD1 3.53Å; L36-F196 HydrophobicContact CD1-CE1 3.96Å; L36-F196 HydrophobicContact CG-CD1 3.88Å; L36-F196 HydrophobicContact CG-CE1 4.36Å; Q188-F196 VanDerWaalsContact CA-O 3.27Å; Q188-F196 WeakPolarHBondContact CA-O 3.41Å; F189-F196 HydrophobicContact CD1-CB 4.13Å; F189-F196 HydrophobicContact CD2-CB 3.94Å; F189-F196 HydrophobicContact CD2-CD2 4.2Å; F189-F196 HydrophobicContact CD2-CG 4.3Å; F189-F196 HydrophobicContact CE1-CB 3.79Å; F189-F196 HydrophobicContact CE2-CB 3.58Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.2Å; F189-F196 HydrophobicContact CZ-CB 3.5Å; F189-F196 HydrophobicContact CZ-CD1 4.31Å; F189-F196 HydrophobicContact CZ-CD2 4.44Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.04Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.8Å; F191-F196 HydrophobicContact CD1-CE2 4.23Å; L194-F196 HydrophobicContact CB-CD2 4.18Å; L194-F196 HydrophobicContact CB-CE2 3.65Å; L194-F196 HydrophobicContact CB-CZ 4.21Å; L194-F196 HydrophobicContact CD1-CE2 4.22Å; L194-F196 HydrophobicContact CD1-CZ 4.01Å; F196-F336 HydrophobicContact CD1-CZ 4.17Å; F196-F336 HydrophobicContact CE1-CE1 4.49Å; F196-F336 HydrophobicContact CE1-CZ 4.05Å; F196-F336 HydrophobicContact CZ-CE1 4.46Å; F196-F336 HydrophobicContact CZ-CZ 4.46Å; F196-T340 HydrophobicContact CZ-CG2 3.88Å
197	R	96.9	Very high	94.9	Very high	87 Å²	87	42.1 Å²	42.1	33%	0.328	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	100.7	167.7	-59.9	179.2	62.8	-164	0.7	108.2	T33 V34 K35 L36 E186 Q188 F199	T33-R197 HydrophobicContact CG2-CG 4.05Å; V34-R197 PolarHBondContact O-N 2.95Å; K35-R197 WeakPolarHBondContact CA-O 3.08Å; L36-R197 PolarHBondContact N-O 2.84Å; E186-R197 IonicContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 3.81Å; E186-R197 PolarHBondContact OE1-NE 3.27Å; E186-R197 IonicContact OE1-NH2 2.73Å; E186-R197 PolarHBondContact OE1-NH2 3.43Å; E186-R197 VanDerWaalsContact OE1-NH2 3.11Å; E186-R197 IonicContact OE2-CZ 3.76Å; E186-R197 IonicContact OE2-NE 3.5Å; E186-R197 IonicContact OE2-NH2 2.66Å; E186-R197 PolarHBondContact OE2-NH2 3.09Å; Q188-R197 HydrophobicContact CG-CG 4.24Å; R197-F199 HydrophobicContact CB-CE2 3.79Å; R197-F199 WeakPolarHBondContact O-CD2 3.27Å
198	M	97.6	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.3	-177.8	-176.8	176.3	-75	0	0	110.7	L36 L38 V50 M53 E186 T187 F189 F336	L36-M198 HydrophobicContact CB-CB 4.34Å; L36-M198 HydrophobicContact CB-CE 4.48Å; L36-M198 HydrophobicContact CB-CG 4.34Å; L36-M198 HydrophobicContact CD1-CE 3.6Å; L36-M198 CarbonylContact O-C 3.38Å; L36-M198 WeakPolarHBondContact O-CA 3.04Å; L38-M198 HydrophobicContact CD1-CG 4.09Å; L38-M198 HydrophobicContact CD1-SD 3.84Å; L38-M198 HydrophobicContact CD2-CE 4.47Å; L38-M198 HydrophobicContact CD2-CG 4.36Å; L38-M198 HydrophobicContact CD2-SD 4.29Å; L38-M198 HydrophobicContact CG-CG 3.98Å; L38-M198 HydrophobicContact CG-SD 4.21Å; V50-M198 HydrophobicContact CG2-CG 4.34Å; V50-M198 HydrophobicContact CG2-SD 3.85Å; M53-M198 HydrophobicContact CG-CE 3.54Å; M53-M198 HydrophobicContact CG-SD 3.72Å; M53-M198 HydrophobicContact SD-CE 3.97Å; E186-M198 CarbonylContact C-O 3.49Å; E186-M198 WeakPolarHBondContact CA-O 3.2Å; T187-M198 PolarHBondContact N-O 3.03Å; T187-M198 PolarHBondContact O-N 3.19Å; F189-M198 HydrophobicContact CE1-CB 4Å; F189-M198 HydrophobicContact CE1-CE 3.96Å; F189-M198 HydrophobicContact CE1-SD 4.39Å; F189-M198 HydrophobicContact CZ-CE 3.9Å; M198-F336 HydrophobicContact CE-CE2 3.8Å; M198-F336 HydrophobicContact CE-CZ 4.34Å
199	F	98.1	Very high	94.8	Very high	16 Å²	16	47.8 Å²	47.8	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113	-179	-67.9	-97.7	0	0	0	109.7	K35 L36 L37 L38 I184 I185 E186 R197	K35-F199 HydrophobicContact CD-CD2 4.4Å; K35-F199 HydrophobicContact CD-CE2 4.02Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.69Å; L36-F199 PolarHBondContact O-N 3.25Å; L37-F199 HydrophobicContact CD1-CB 3.84Å; L38-F199 PolarHBondContact N-O 2.6Å; I184-F199 HydrophobicContact CG2-CD1 3.91Å; I185-F199 WeakPolarHBondContact O-CA 3.29Å; E186-F199 HydrophobicContact CB-CD1 4.25Å; E186-F199 HydrophobicContact CB-CE1 4.01Å; E186-F199 HydrophobicContact CB-CZ 4.45Å; E186-F199 HydrophobicContact CG-CD1 4.37Å; E186-F199 HydrophobicContact CG-CE1 3.91Å; E186-F199 HydrophobicContact CG-CE2 4.24Å; E186-F199 HydrophobicContact CG-CZ 3.84Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.29Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.37Å; R197-F199 HydrophobicContact CB-CE2 3.79Å; R197-F199 WeakPolarHBondContact O-CD2 3.27Å
200	D	97.9	Very high	94.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.1	169.9	-177.8	33.9	0	0	0	110.3	L38 K46 S47 V50 I184 I185	L38-D200 HydrophobicContact CD1-CB 4.37Å; K46-D200 VanDerWaalsContact CB-OD1 3.27Å; K46-D200 WeakPolarHBondContact CB-OD1 3.27Å; S47-D200 WeakPolarHBondContact CA-OD2 3.38Å; S47-D200 VanDerWaalsContact CB-OD2 3.31Å; S47-D200 WeakPolarHBondContact CB-OD2 3.24Å; S47-D200 PolarHBondContact OG-OD2 2.99Å; V50-D200 HydrophobicContact CG2-CB 3.65Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I185-D200 PolarHBondContact N-O 2.65Å; I185-D200 PolarHBondContact O-N 3.32Å
201	V	97.6	Very high	95	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.5	-175.5	-60.8	0	0	0	0	110.6	L37 L38 L39 K46 I184 G203 W211	L37-V201 HydrophobicContact CD1-CG1 4.35Å; L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L39-V201 HydrophobicContact CD2-CG2 3.76Å; K46-V201 WeakPolarHBondContact CE-O 3.47Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; V201-G203 PolarHBondContact O-N 3.13Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.26Å; V201-W211 HydrophobicContact CG2-CG 4.09Å; V201-W211 HydrophobicContact CG2-CZ2 4.4Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å
202	G	96.4	Very high	95	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	23%	0.231	C	C	.	.			trans	-54.5	123.3	174.3	0	0	0	0	0	111.9	T181 G183 E207 W211	T181-G202 VanDerWaalsContact O-CA 3.31Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å; G183-G202 PolarHBondContact O-N 3.22Å; G202-E207 WeakPolarHBondContact O-CB 3.21Å; G202-W211 PolarHBondContact O-NE1 2.77Å
203	G	95.2	Very high	95.3	Very high	6 Å²	6	52 Å²	52	6%	0.062	25%	0.246	C	C	.	.			trans	-84.4	-18.2	-175.9	0	0	0	0	0	115.7	G40 G42 V201 R208	G40-G203 WeakPolarHBondContact O-CA 3.41Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.2Å; V201-G203 PolarHBondContact O-N 3.13Å; G203-R208 PolarHBondContact O-NE 3.16Å; G203-R208 VanDerWaalsContact O-NE 3.07Å
204	Q	95.6	Very high	95.7	Very high	30 Å²	30	45 Å²	45	14%	0.14	21%	0.209	C	C	.	.	S	Bend	trans	-70.3	153.5	-177.1	-69.5	-177.1	-1.6	0	0	111.3	K180 S206 E207 R208 E236	K180-Q204 VanDerWaalsContact CD-OE1 3.24Å; Q204-S206 PolarHBondContact O-N 3.25Å; Q204-S206 VanDerWaalsContact O-N 3.12Å; Q204-E207 PolarHBondContact O-N 3.1Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.87Å; Q204-E236 WeakPolarHBondContact CA-OE1 3.46Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.31Å
205	R	95.8	Very high	95.8	Very high	88 Å²	88	44.6 Å²	44.6	33%	0.332	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-52.8	-39.9	-173	-75	-176.9	170.4	175.4	-1.5	113	E207 R208 E236 D237 E245	R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.02Å; R205-R208 PolarHBondContact O-N 2.91Å; R205-E236 PolarHBondContact N-OE1 3.3Å; R205-D237 IonicContact CZ-OD2 2.62Å; R205-D237 IonicContact NH1-OD2 3.17Å; R205-D237 PolarHBondContact NH1-OD2 3.1Å; R205-D237 IonicContact NH2-OD2 3.93Å; R205-E245 IonicContact CZ-OE1 3.19Å; R205-E245 IonicContact CZ-OE2 3.78Å; R205-E245 IonicContact NE-OE1 2.93Å; R205-E245 PolarHBondContact NE-OE1 2.89Å; R205-E245 IonicContact NE-OE2 3.88Å; R205-E245 IonicContact NH2-OE1 2.7Å; R205-E245 IonicContact NH2-OE2 2.57Å; R205-E245 PolarHBondContact NH2-OE2 3.41Å
206	S	95.1	Very high	95.8	Very high	76 Å²	76	50.1 Å²	50.1	53%	0.531	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-65.5	-24.5	178.9	52.9	0	0	0	0	114.6	Q204	Q204-S206 PolarHBondContact O-N 3.25Å; Q204-S206 VanDerWaalsContact O-N 3.12Å
207	E	96.4	Very high	95.5	Very high	20 Å²	20	53.1 Å²	53.1	9%	0.093	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-91.5	-19.3	-177.1	-63.9	-61.8	104.4	0	0	112.8	T182 G183 G202 Q204 R205 K209 K210	T182-E207 WeakPolarHBondContact CA-OE2 3.25Å; G183-E207 PolarHBondContact N-OE2 3.41Å; G202-E207 WeakPolarHBondContact O-CB 3.21Å; Q204-E207 PolarHBondContact O-N 3.1Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.02Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.23Å; E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.34Å; E207-K210 PolarHBondContact O-N 2.94Å; E207-K210 IonicContact OE1-NZ 3.07Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 IonicContact OE2-NZ 3.79Å; E207-K210 PolarHBondContact OE2-NZ 2.83Å
208	R	95.6	Very high	95.5	Very high	45 Å²	45	49.5 Å²	49.5	17%	0.17	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-65	-26.3	-170.8	-55.5	-165.2	-169	152.2	5.8	114.7	G203 Q204 R205 K210 W211 E245	G203-R208 PolarHBondContact O-NE 3.16Å; G203-R208 VanDerWaalsContact O-NE 3.07Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.87Å; R205-R208 PolarHBondContact O-N 2.91Å; R208-K210 PolarHBondContact O-N 3.44Å; R208-K210 VanDerWaalsContact O-N 3.16Å; R208-W211 HydrophobicContact CB-CD2 4.15Å; R208-W211 HydrophobicContact CB-CZ2 4.33Å; R208-W211 HydrophobicContact CG-CD2 4.41Å; R208-W211 HydrophobicContact CG-CH2 4.11Å; R208-W211 HydrophobicContact CG-CZ2 3.68Å; R208-W211 VanDerWaalsContact O-CB 3.29Å; R208-W211 WeakPolarHBondContact O-CB 3.47Å; R208-W211 VanDerWaalsContact O-CG 3.26Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.07Å; R208-E245 IonicContact CZ-OE1 3.06Å; R208-E245 IonicContact NH1-OE1 3.93Å; R208-E245 PolarHBondContact NH1-OE1 3.22Å; R208-E245 IonicContact NH2-OE1 2.74Å; R208-E245 PolarHBondContact NH2-OE1 3.43Å
209	K	94.5	Very high	95.3	Very high	186 Å²	186	50.8 Å²	50.8	81%	0.809	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.9	-26.8	173.9	-67.3	-176.6	-179.4	178.9	0	112.2	E207 W211 I212	E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.23Å; K209-W211 VanDerWaalsContact C-N 3.31Å; K209-W211 PolarHBondContact O-N 3.18Å; K209-I212 WeakPolarHBondContact O-CG2 3.2Å
210	K	95.8	Very high	95.1	Very high	77 Å²	77	50 Å²	50	34%	0.335	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-77.7	-15.1	-179.6	-56	174.4	-173.1	166.9	0	112.7	E207 R208 I212 H213	E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.34Å; E207-K210 PolarHBondContact O-N 2.94Å; E207-K210 IonicContact OE1-NZ 3.07Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 IonicContact OE2-NZ 3.79Å; E207-K210 PolarHBondContact OE2-NZ 2.83Å; R208-K210 PolarHBondContact O-N 3.44Å; R208-K210 VanDerWaalsContact O-N 3.16Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.09Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.3Å; K210-H213 PolarHBondContact O-N 2.86Å
211	W	96.4	Very high	95.1	Very high	9 Å²	9	49.9 Å²	49.9	3%	0.034	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-62.5	-34	-174.4	-66.9	3.5	0	0	0	113.3	L39 V201 G202 R208 K209 H213 C214 F215 L249 I253	L39-W211 HydrophobicContact CB-CZ3 4.44Å; L39-W211 HydrophobicContact CD2-CD2 3.8Å; L39-W211 HydrophobicContact CD2-CE3 3.71Å; L39-W211 HydrophobicContact CD2-CG 4.26Å; L39-W211 HydrophobicContact CD2-CH2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.26Å; V201-W211 HydrophobicContact CG2-CG 4.09Å; V201-W211 HydrophobicContact CG2-CZ2 4.4Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å; G202-W211 PolarHBondContact O-NE1 2.77Å; R208-W211 HydrophobicContact CB-CD2 4.15Å; R208-W211 HydrophobicContact CB-CZ2 4.33Å; R208-W211 HydrophobicContact CG-CD2 4.41Å; R208-W211 HydrophobicContact CG-CH2 4.11Å; R208-W211 HydrophobicContact CG-CZ2 3.68Å; R208-W211 VanDerWaalsContact O-CB 3.29Å; R208-W211 WeakPolarHBondContact O-CB 3.47Å; R208-W211 VanDerWaalsContact O-CG 3.26Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.07Å; K209-W211 VanDerWaalsContact C-N 3.31Å; K209-W211 PolarHBondContact O-N 3.18Å; W211-H213 PolarHBondContact O-N 3.19Å; W211-C214 PolarHBondContact O-N 3.39Å; W211-F215 HydrophobicContact CB-CE1 3.79Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.35Å; W211-F215 VanDerWaalsContact O-CE1 3.29Å; W211-F215 WeakPolarHBondContact O-CE1 3.37Å; W211-L249 HydrophobicContact CH2-CD1 3.75Å; W211-L249 HydrophobicContact CH2-CD2 3.69Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.6Å; W211-L249 HydrophobicContact CZ3-CD2 4.29Å; W211-L249 HydrophobicContact CZ3-CG 4.25Å; W211-I253 HydrophobicContact CE3-CD1 4.23Å; W211-I253 HydrophobicContact CZ3-CD1 4.1Å; W211-I253 HydrophobicContact CZ3-CG1 4.42Å
212	I	93.3	Very high	95.1	Very high	76 Å²	76	49.8 Å²	49.8	39%	0.39	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.3	179.8	-168.7	59.4	0	0	0	112.6	K209 K210 C214 F215 Y258	K209-I212 WeakPolarHBondContact O-CG2 3.2Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.09Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.14Å; I212-F215 HydrophobicContact CD1-CB 4.31Å; I212-F215 HydrophobicContact CD1-CD2 3.53Å; I212-F215 HydrophobicContact CD1-CE2 4.11Å; I212-F215 HydrophobicContact CD1-CG 4.07Å; I212-F215 PolarHBondContact O-N 3Å; I212-Y258 HydrophobicContact CD1-CE2 4.29Å
213	H	94.1	Very high	95.2	Very high	145 Å²	145	49.8 Å²	49.8	67%	0.671	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.8	-10	177.2	-58.8	-61.3	0	0	0	113.7	I184 K210 W211	I184-H213 HydrophobicContact CD1-CB 3.86Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.3Å; K210-H213 PolarHBondContact O-N 2.86Å; W211-H213 PolarHBondContact O-N 3.19Å
214	C	95.4	Very high	95.4	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.02	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-108.6	-3.4	178.2	-62.6	0	0	0	0	113.8	K35 L37 I184 W211 I212 E216 V218	K35-C214 WeakPolarHBondContact CE-O 3.33Å; K35-C214 PolarHBondContact NZ-O 3.46Å; L37-C214 HydrophobicContact CD1-CB 3.65Å; L37-C214 HydrophobicContact CD2-CB 4.25Å; I184-C214 VanDerWaalsContact CD1-SG 3.58Å; I184-C214 WeakPolarHBondContact CG2-SG 3.4Å; W211-C214 PolarHBondContact O-N 3.39Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.14Å; C214-E216 PolarHBondContact O-N 3.44Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å
215	F	94.6	Very high	95.5	Very high	15 Å²	15	48.1 Å²	48.1	7%	0.066	24%	0.244	C	C	.	.			trans	-76.3	-19.5	-166.5	-78.3	16.5	0	0	0	114.4	L37 W211 I212 I253 H256 Y258 F259	L37-F215 HydrophobicContact CD2-CD1 3.88Å; L37-F215 HydrophobicContact CD2-CE1 4.04Å; W211-F215 HydrophobicContact CB-CE1 3.79Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.35Å; W211-F215 VanDerWaalsContact O-CE1 3.29Å; W211-F215 WeakPolarHBondContact O-CE1 3.37Å; I212-F215 HydrophobicContact CD1-CB 4.31Å; I212-F215 HydrophobicContact CD1-CD2 3.53Å; I212-F215 HydrophobicContact CD1-CE2 4.11Å; I212-F215 HydrophobicContact CD1-CG 4.07Å; I212-F215 PolarHBondContact O-N 3Å; F215-I253 HydrophobicContact CZ-CD1 4.28Å; F215-H256 AromaticContact CD2-CE1 3.74Å; F215-H256 AromaticContact CD2-ND1 3.95Å; F215-H256 AromaticContact CE2-CE1 3.55Å; F215-H256 AromaticContact CE2-ND1 3.76Å; F215-Y258 HydrophobicContact CB-CD1 4.38Å; F215-Y258 HydrophobicContact CD2-CG 4.35Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.15Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.22Å; F215-F259 AromaticContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD2-CE1 4.21Å; F215-F259 HydrophobicContact CD2-CE2 4.01Å; F215-F259 AromaticContact CD2-CZ 3.61Å; F215-F259 HydrophobicContact CD2-CZ 3.61Å; F215-F259 AromaticContact CE1-CE2 3.9Å; F215-F259 HydrophobicContact CE1-CE2 3.9Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.69Å; F215-F259 HydrophobicContact CE2-CE2 3.69Å; F215-F259 AromaticContact CE2-CZ 3.71Å; F215-F259 HydrophobicContact CE2-CZ 3.71Å; F215-F259 AromaticContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE2 4.26Å; F215-F259 AromaticContact CG-CZ 3.43Å; F215-F259 HydrophobicContact CG-CZ 3.43Å; F215-F259 VanDerWaalsContact CG-CZ 3.43Å; F215-F259 AromaticContact CZ-CE2 3.62Å; F215-F259 HydrophobicContact CZ-CE2 3.62Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å
216	E	92.9	Very high	95.7	Very high	168 Å²	168	44.4 Å²	44.4	79%	0.785	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	137.1	178.6	-173.3	173.6	-167.1	0	0	111.8	K35 C214 V218	K35-E216 PolarHBondContact NZ-O 2.93Å; C214-E216 PolarHBondContact O-N 3.44Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 3.02Å
217	G	91.2	Very high	95.8	Very high	62 Å²	62	40.8 Å²	40.8	64%	0.639	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	26.5	172.1	0	0	0	0	0	115.1	K35 T219	K35-G217 WeakPolarHBondContact CB-O 3.23Å; K35-G217 VanDerWaalsContact CD-O 3.31Å; K35-G217 WeakPolarHBondContact CD-O 3.46Å; G217-T219 PolarHBondContact O-N 2.69Å
218	V	95.1	Very high	95.9	Very high	12 Å²	12	39.9 Å²	39.9	7%	0.073	20%	0.203	C	C	.	.			trans	-75	121.4	177.1	-179.4	0	0	0	0	109.6	K35 L37 C214 E216 C220 I221 F259 T262	K35-V218 HydrophobicContact CD-CG2 4.21Å; L37-V218 HydrophobicContact CB-CG1 3.77Å; L37-V218 HydrophobicContact CB-CG2 4.14Å; L37-V218 HydrophobicContact CD2-CG2 3.96Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 3.02Å; V218-C220 WeakPolarHBondContact CG1-O 3.49Å; V218-I221 HydrophobicContact CG1-CG1 3.9Å; V218-F259 HydrophobicContact CB-CE1 4.45Å; V218-F259 HydrophobicContact CG2-CE1 4.25Å; V218-T262 HydrophobicContact CB-CG2 4.14Å; V218-T262 HydrophobicContact CG1-CG2 3.72Å; V218-T262 WeakPolarHBondContact O-CG2 3.25Å; V218-T262 PolarHBondContact O-OG1 3.14Å
219	T	93.3	Very high	96	Very high	27 Å²	27	38.1 Å²	38.1	17%	0.166	20%	0.198	C	C	.	.	S	Bend	trans	-75.8	-48.6	175.3	-47.5	0	0	0	0	110.6	V34 K35 G217 I343	V34-T219 HydrophobicContact CG1-CG2 3.92Å; K35-T219 PolarHBondContact N-OG1 3.06Å; K35-T219 WeakPolarHBondContact O-CB 3.45Å; K35-T219 PolarHBondContact O-N 2.67Å; G217-T219 PolarHBondContact O-N 2.69Å; T219-I343 HydrophobicContact CG2-CG2 3.93Å
220	C	95.4	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140.6	180	176	0	0	0	0	111.4	K35 L36 L37 V218 S263 I343	K35-C220 PolarHBondContact O-N 3.03Å; L36-C220 WeakPolarHBondContact CA-O 3.44Å; L36-C220 HydrophobicContact CD2-CB 3.73Å; L37-C220 PolarHBondContact N-O 3.11Å; V218-C220 WeakPolarHBondContact CG1-O 3.49Å; C220-S263 WeakPolarHBondContact CA-O 3.38Å; C220-I343 HydrophobicContact CB-CD1 3.7Å; C220-I343 HydrophobicContact CB-CG1 3.86Å
221	I	97.4	Very high	96.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.6	169.8	-63.8	168.4	0	0	0	108.7	L37 L39 V218 F223 I253 F259 T262 S263 I264 V265	L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.24Å; L39-I221 HydrophobicContact CB-CG2 4.33Å; L39-I221 HydrophobicContact CD1-CD1 4.38Å; L39-I221 HydrophobicContact CD1-CG2 3.95Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; V218-I221 HydrophobicContact CG1-CG1 3.9Å; I221-F223 HydrophobicContact CG2-CB 4.5Å; I221-I253 HydrophobicContact CD1-CG2 4.05Å; I221-I253 HydrophobicContact CG2-CG2 4.36Å; I221-F259 HydrophobicContact CD1-CB 4Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.41Å; I221-F259 VanDerWaalsContact CD1-CD2 3.41Å; I221-F259 HydrophobicContact CD1-CE1 3.74Å; I221-F259 HydrophobicContact CD1-CE2 3.57Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.69Å; I221-F259 HydrophobicContact CG1-CE1 4.47Å; I221-T262 HydrophobicContact CD1-CG2 4.13Å; I221-T262 HydrophobicContact CG1-CG2 3.9Å; I221-S263 PolarHBondContact N-O 3.11Å; I221-I264 HydrophobicContact CB-CG1 4.21Å; I221-I264 HydrophobicContact CD1-CD1 4.41Å; I221-I264 HydrophobicContact CD1-CG1 4.34Å; I221-I264 WeakPolarHBondContact O-CA 3.32Å; I221-V265 PolarHBondContact O-N 3.47Å
222	I	98.1	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	109.3	163.8	-60.8	166.2	0	0	0	107.1	L36 L37 L38 L39 V265 F267 F336	L36-I222 HydrophobicContact CD1-CD1 4.31Å; L37-I222 PolarHBondContact O-N 2.73Å; L38-I222 WeakPolarHBondContact CA-O 3.47Å; L38-I222 HydrophobicContact CD2-CB 3.65Å; L38-I222 HydrophobicContact CD2-CD1 3.95Å; L38-I222 HydrophobicContact CD2-CG1 4.32Å; L38-I222 HydrophobicContact CD2-CG2 4.1Å; L39-I222 PolarHBondContact N-O 3.37Å; I222-V265 CarbonylContact C-O 3.59Å; I222-V265 WeakPolarHBondContact CA-O 3.45Å; I222-F267 HydrophobicContact CD1-CZ 4.46Å; I222-F267 HydrophobicContact CG2-CB 4.36Å; I222-F267 HydrophobicContact CG2-CD1 3.94Å; I222-F267 HydrophobicContact CG2-CD2 3.58Å; I222-F267 HydrophobicContact CG2-CE1 4.07Å; I222-F267 HydrophobicContact CG2-CE2 3.72Å; I222-F267 HydrophobicContact CG2-CG 3.69Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å
223	F	98.7	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.8	175.6	-168.8	-83.3	0	0	0	109.9	L39 I221 A225 L249 F250 I253 V265 L266 F267 F307	L39-F223 HydrophobicContact CB-CD2 3.95Å; L39-F223 HydrophobicContact CB-CE2 4.47Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.27Å; I221-F223 HydrophobicContact CG2-CB 4.5Å; F223-A225 HydrophobicContact CD1-CB 4.46Å; F223-A225 HydrophobicContact CE1-CB 4.24Å; F223-L249 HydrophobicContact CE2-CD2 4.06Å; F223-L249 HydrophobicContact CE2-CG 3.91Å; F223-L249 HydrophobicContact CZ-CB 4.2Å; F223-L249 HydrophobicContact CZ-CD2 3.91Å; F223-L249 HydrophobicContact CZ-CG 3.94Å; F223-F250 HydrophobicContact CB-CD2 4.01Å; F223-F250 HydrophobicContact CB-CE2 4.04Å; F223-F250 HydrophobicContact CD1-CB 4.39Å; F223-F250 AromaticContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CE2 4.26Å; F223-F250 HydrophobicContact CD1-CG 4.38Å; F223-F250 AromaticContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CE1-CB 3.83Å; F223-F250 AromaticContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CG 4.3Å; F223-F250 HydrophobicContact CE2-CB 4.14Å; F223-F250 HydrophobicContact CE2-CD2 4.11Å; F223-F250 AromaticContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CE2 4.07Å; F223-F250 HydrophobicContact CZ-CB 3.68Å; F223-F250 HydrophobicContact CZ-CD2 4.14Å; F223-F250 HydrophobicContact CZ-CG 4.44Å; F223-I253 HydrophobicContact CD2-CG1 4.49Å; F223-I253 HydrophobicContact CD2-CG2 4.47Å; F223-I253 HydrophobicContact CE2-CG1 4.23Å; F223-V265 PolarHBondContact N-O 3.15Å; F223-L266 HydrophobicContact CD1-CD1 3.89Å; F223-F267 PolarHBondContact O-N 3.29Å; F223-F307 HydrophobicContact CE1-CE1 4.17Å
224	C	98.7	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.2	176.4	-60	0	0	0	0	110.7	L39 G40 S44 K46 F267	L39-C224 PolarHBondContact O-N 2.66Å; G40-C224 WeakPolarHBondContact CA-O 3.29Å; S44-C224 WeakPolarHBondContact CB-O 3.36Å; S44-C224 WeakPolarHBondContact OG-CB 3.49Å; S44-C224 PolarHBondContact OG-O 3.34Å; K46-C224 HydrophobicContact CG-CB 3.94Å; C224-F267 WeakPolarHBondContact CA-O 3.1Å
225	A	98.8	Very high	96.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.9	170.1	0	0	0	0	0	109.5	F223 S246 L266 F267 L268 N269 F307	F223-A225 HydrophobicContact CD1-CB 4.46Å; F223-A225 HydrophobicContact CE1-CB 4.24Å; A225-S246 WeakPolarHBondContact CB-OG 3.49Å; A225-L266 HydrophobicContact CB-CD1 4.35Å; A225-F267 PolarHBondContact N-O 3.04Å; A225-L268 HydrophobicContact CB-CD2 4.32Å; A225-L268 CarbonylContact O-C 3.47Å; A225-N269 PolarHBondContact O-N 3.31Å; A225-F307 HydrophobicContact CB-CE1 4.01Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.56Å
226	A	98.5	Very high	96.5	Very high	11 Å²	11	25.4 Å²	25.4	9%	0.091	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.6	176.8	0	0	0	0	0	110.2	S228 A229 M243 K270	A226-S228 VanDerWaalsContact C-N 3.26Å; A226-S228 PolarHBondContact O-N 3.47Å; A226-A229 HydrophobicContact CB-CB 3.95Å; A226-A229 WeakPolarHBondContact O-CB 3.26Å; A226-A229 PolarHBondContact O-N 2.82Å; A226-M243 VanDerWaalsContact O-CE 3.23Å; A226-M243 WeakPolarHBondContact O-CE 3.4Å; A226-K270 HydrophobicContact CB-CD 3.91Å
227	L	98.6	Very high	96.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59.6	-40.3	174.1	-73.9	172.6	0	0	0	111.4	A229 Y230 L268 N269 K271 F274 I303	L227-A229 PolarHBondContact O-N 3.3Å; L227-Y230 WeakPolarHBondContact O-CD1 3.14Å; L227-L268 HydrophobicContact CD1-CB 3.92Å; L227-L268 HydrophobicContact CD2-CB 4Å; L227-L268 HydrophobicContact CD2-CD2 4.09Å; L227-L268 HydrophobicContact CD2-CG 4.42Å; L227-L268 HydrophobicContact CG-CB 3.86Å; L227-N269 WeakPolarHBondContact CB-O 3.33Å; L227-N269 PolarHBondContact N-O 3.14Å; L227-K271 HydrophobicContact CD1-CB 4.19Å; L227-F274 HydrophobicContact CB-CB 3.61Å; L227-F274 HydrophobicContact CB-CD1 4.14Å; L227-F274 HydrophobicContact CB-CD2 3.98Å; L227-F274 HydrophobicContact CB-CG 3.64Å; L227-F274 HydrophobicContact CD1-CD1 4.15Å; L227-F274 HydrophobicContact CD1-CG 4.44Å; L227-F274 WeakPolarHBondContact O-CD2 3.17Å; L227-I303 HydrophobicContact CD2-CB 4.13Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.78Å
228	S	97.7	Very high	96.7	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-66.3	-5.5	-178	63.2	0	0	0	0	115.3	A226 K270 K277	A226-S228 VanDerWaalsContact C-N 3.26Å; A226-S228 PolarHBondContact O-N 3.47Å; S228-K270 VanDerWaalsContact OG-CD 3.27Å; S228-K270 WeakPolarHBondContact OG-CD 3.33Å; S228-K277 PolarHBondContact O-NZ 3.24Å
229	A	97.6	Very high	96.8	Very high	8 Å²	8	32.2 Å²	32.2	7%	0.066	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-93.3	3.4	-175	0	0	0	0	0	114.1	A226 L227 D231 M232 R242	A226-A229 HydrophobicContact CB-CB 3.95Å; A226-A229 WeakPolarHBondContact O-CB 3.26Å; A226-A229 PolarHBondContact O-N 2.82Å; L227-A229 PolarHBondContact O-N 3.3Å; A229-D231 VanDerWaalsContact C-N 3.26Å; A229-D231 PolarHBondContact O-N 3.17Å; A229-M232 PolarHBondContact O-N 2.84Å; A229-R242 HydrophobicContact CB-CB 3.8Å
230	Y	98.2	Very high	97	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.1	-175.2	75.5	-83.3	0	0	0	114.4	L227 N241 F274 K277 V278 V281 L283 I285 C286	L227-Y230 WeakPolarHBondContact O-CD1 3.14Å; Y230-N241 PolarHBondContact O-ND2 3.46Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.78Å; Y230-F274 HydrophobicContact CD1-CE2 3.78Å; Y230-F274 AromaticContact CE1-CD2 3.78Å; Y230-F274 HydrophobicContact CE1-CD2 3.78Å; Y230-F274 AromaticContact CE1-CE2 3.82Å; Y230-F274 HydrophobicContact CE1-CE2 3.82Å; Y230-K277 HydrophobicContact CE1-CB 4.1Å; Y230-K277 VanDerWaalsContact OH-C 3.24Å; Y230-K277 PolarHBondContact OH-O 2.94Å; Y230-K277 VanDerWaalsContact OH-O 3.09Å; Y230-V278 WeakPolarHBondContact OH-CA 3.25Å; Y230-V278 PolarHBondContact OH-N 3.22Å; Y230-V281 HydrophobicContact CE2-CB 4.37Å; Y230-V281 HydrophobicContact CE2-CG1 4.21Å; Y230-V281 PolarHBondContact OH-O 3.49Å; Y230-L283 HydrophobicContact CD2-CD1 3.99Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; Y230-I285 HydrophobicContact CD2-CG2 3.99Å; Y230-I285 HydrophobicContact CE2-CG2 4.07Å; Y230-C286 HydrophobicContact CD2-CB 4.33Å; Y230-C286 VanDerWaalsContact O-CB 3.23Å; Y230-C286 WeakPolarHBondContact O-CB 3.22Å
231	D	97.5	Very high	97.1	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	21.9	-179.8	64.6	-24.5	0	0	0	111.9	S144 A229 K277 V281 I285	S144-D231 VanDerWaalsContact CB-OD2 3.24Å; S144-D231 WeakPolarHBondContact CB-OD2 3.49Å; S144-D231 PolarHBondContact OG-OD2 3.38Å; A229-D231 VanDerWaalsContact C-N 3.26Å; A229-D231 PolarHBondContact O-N 3.17Å; D231-K277 VanDerWaalsContact CG-CE 3.41Å; D231-K277 VanDerWaalsContact CG-NZ 3.27Å; D231-K277 WeakPolarHBondContact OD1-CE 3.41Å; D231-K277 IonicContact OD1-NZ 4Å; D231-K277 PolarHBondContact OD1-NZ 3.23Å; D231-K277 WeakPolarHBondContact OD2-CE 3.29Å; D231-K277 IonicContact OD2-NZ 3.85Å; D231-K277 PolarHBondContact OD2-NZ 2.89Å; D231-V281 HydrophobicContact CB-CG1 4.12Å; D231-I285 HydrophobicContact CB-CG2 4.15Å
232	M	97.4	Very high	97.1	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.049	18%	0.181	C	C	.	.			trans	-123.5	152.8	-177.6	-61.2	179.6	75.5	0	0	111.7	A229 N241 R242	A229-M232 PolarHBondContact O-N 2.84Å; M232-N241 CarbonylContact O-C 3.59Å; M232-N241 WeakPolarHBondContact O-CA 3.36Å; M232-R242 HydrophobicContact CB-CG 4.1Å; M232-R242 PolarHBondContact O-N 2.9Å
233	V	97.3	Very high	97.1	Very high	52 Å²	52	35.3 Å²	35.3	32%	0.315	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-103.3	158.7	172.3	-60	0	0	0	0	112	Q147 E238 V240 R242	Q147-V233 PolarHBondContact NE2-O 2.91Å; V233-E238 WeakPolarHBondContact CG1-O 3.28Å; V233-E238 HydrophobicContact CG2-CB 4.36Å; V233-V240 CarbonylContact C-O 3.46Å; V233-V240 VanDerWaalsContact CA-O 3.28Å; V233-V240 WeakPolarHBondContact CA-O 3.23Å; V233-R242 VanDerWaalsContact C-CG 3.43Å; V233-R242 WeakPolarHBondContact O-CG 3.48Å; V233-R242 PolarHBondContact O-NE 3.3Å
234	L	96.1	Very high	97.1	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.042	20%	0.2	C	C	.	.			trans	-66.1	149.4	179.1	-65.4	172.8	0	0	0	111.3	E236 D237 V240 R242 E245	L234-E236 VanDerWaalsContact C-N 3.26Å; L234-D237 HydrophobicContact CB-CB 4.3Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 HydrophobicContact CD1-CB 4.3Å; L234-D237 PolarHBondContact N-O 2.73Å; L234-D237 CarbonylContact O-C 3.58Å; L234-D237 PolarHBondContact O-N 3.48Å; L234-V240 HydrophobicContact CD1-CB 3.91Å; L234-V240 HydrophobicContact CD1-CG1 3.65Å; L234-V240 HydrophobicContact CG-CB 4.4Å; L234-V240 HydrophobicContact CG-CG1 4.25Å; L234-V240 PolarHBondContact N-O 3Å; L234-R242 HydrophobicContact CD2-CB 4.37Å; L234-R242 HydrophobicContact CD2-CG 3.91Å; L234-R242 HydrophobicContact CG-CG 4.36Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.73Å; L234-E245 HydrophobicContact CD2-CB 4.05Å; L234-E245 HydrophobicContact CD2-CG 3.88Å; L234-E245 HydrophobicContact CG-CB 4.27Å; L234-E245 HydrophobicContact CG-CG 4.35Å
235	V	93.5	Very high	97.1	Very high	78 Å²	78	39.9 Å²	39.9	47%	0.473	20%	0.203	S	C	.	.	S	Bend	trans	-67	-36.3	168.2	179.6	0	0	0	0	109.8	Q147 D237	Q147-V235 HydrophobicContact CB-CG2 4.49Å; Q147-V235 HydrophobicContact CG-CG2 4.02Å; Q147-V235 VanDerWaalsContact OE1-CG2 3.22Å; V235-D237 VanDerWaalsContact C-N 3.29Å; V235-D237 PolarHBondContact O-N 2.94Å
236	E	94.8	Very high	97.1	Very high	78 Å²	78	40.1 Å²	40.1	36%	0.364	20%	0.204	S	C	.	.	S	Bend	trans	-75.9	-15.1	-178.6	-58.9	100.2	132.8	0	0	113.9	Q204 R205 L234	Q204-E236 WeakPolarHBondContact CA-OE1 3.46Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.31Å; R205-E236 PolarHBondContact N-OE1 3.3Å; L234-E236 VanDerWaalsContact C-N 3.26Å
237	D	95.4	Very high	97.1	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	20%	0.204	S	C	.	.			trans	-165.7	97.6	-169.6	-166.4	-19	0	0	0	110.9	R205 L234 V235 E239 V240	R205-D237 IonicContact CZ-OD2 2.62Å; R205-D237 IonicContact NH1-OD2 3.17Å; R205-D237 PolarHBondContact NH1-OD2 3.1Å; R205-D237 IonicContact NH2-OD2 3.93Å; L234-D237 HydrophobicContact CB-CB 4.3Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 HydrophobicContact CD1-CB 4.3Å; L234-D237 PolarHBondContact N-O 2.73Å; L234-D237 CarbonylContact O-C 3.58Å; L234-D237 PolarHBondContact O-N 3.48Å; V235-D237 VanDerWaalsContact C-N 3.29Å; V235-D237 PolarHBondContact O-N 2.94Å; D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.41Å; D237-V240 HydrophobicContact CB-CB 4.24Å; D237-V240 HydrophobicContact CB-CG2 4.21Å; D237-V240 VanDerWaalsContact CG-CG2 3.47Å; D237-V240 PolarHBondContact O-N 3.5Å; D237-V240 VanDerWaalsContact O-N 3.14Å; D237-V240 VanDerWaalsContact OD2-CG2 3.27Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.17Å
238	E	93.8	Very high	97.1	Very high	153 Å²	153	46.5 Å²	46.5	72%	0.715	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-7.9	-174.2	-65.6	-177.9	176.2	0	0	113.5	V233	V233-E238 WeakPolarHBondContact CG1-O 3.28Å; V233-E238 HydrophobicContact CG2-CB 4.36Å
239	E	95.7	Very high	97.1	Very high	185 Å²	185	46.8 Å²	46.8	86%	0.864	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.2	174.4	-59.4	-169.5	145	0	0	112.5	D237	D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.41Å
240	V	97	Very high	97.2	Very high	37 Å²	37	46.4 Å²	46.4	22%	0.224	23%	0.231	C	C	.	.	S	Bend	trans	-108.1	119.5	-174	177.6	0	0	0	0	111.2	V233 L234 D237 E245	V233-V240 CarbonylContact C-O 3.46Å; V233-V240 VanDerWaalsContact CA-O 3.28Å; V233-V240 WeakPolarHBondContact CA-O 3.23Å; L234-V240 HydrophobicContact CD1-CB 3.91Å; L234-V240 HydrophobicContact CD1-CG1 3.65Å; L234-V240 HydrophobicContact CG-CB 4.4Å; L234-V240 HydrophobicContact CG-CG1 4.25Å; L234-V240 PolarHBondContact N-O 3Å; D237-V240 HydrophobicContact CB-CB 4.24Å; D237-V240 HydrophobicContact CB-CG2 4.21Å; D237-V240 VanDerWaalsContact CG-CG2 3.47Å; D237-V240 PolarHBondContact O-N 3.5Å; D237-V240 VanDerWaalsContact O-N 3.14Å; D237-V240 VanDerWaalsContact OD2-CG2 3.27Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.17Å; V240-E245 HydrophobicContact CG1-CB 4.11Å
241	N	98	Very high	97.2	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.144	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-63.7	134.2	171.6	-178.2	-75.4	0	0	0	111.6	Y230 M232 M243 H244 E245	Y230-N241 PolarHBondContact O-ND2 3.46Å; M232-N241 CarbonylContact O-C 3.59Å; M232-N241 WeakPolarHBondContact O-CA 3.36Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.48Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 VanDerWaalsContact OD1-CB 3.29Å; N241-M243 WeakPolarHBondContact OD1-CB 3.43Å; N241-M243 PolarHBondContact OD1-N 2.8Å; N241-H244 HydrophobicContact CB-CB 4.26Å; N241-H244 PolarHBondContact O-N 2.9Å; N241-H244 PolarHBondContact OD1-N 2.63Å; N241-E245 PolarHBondContact O-N 2.8Å
242	R	98	Very high	97.1	Very high	26 Å²	26	51 Å²	51	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-34.3	-176.1	-65.6	-166.4	174.8	-159.1	-2.4	113.6	E43 A229 M232 V233 L234 S246	E43-R242 IonicContact OE2-CZ 3.49Å; E43-R242 IonicContact OE2-NH1 3.9Å; E43-R242 PolarHBondContact OE2-NH1 2.86Å; E43-R242 IonicContact OE2-NH2 2.65Å; E43-R242 PolarHBondContact OE2-NH2 3.22Å; A229-R242 HydrophobicContact CB-CB 3.8Å; M232-R242 HydrophobicContact CB-CG 4.1Å; M232-R242 PolarHBondContact O-N 2.9Å; V233-R242 VanDerWaalsContact C-CG 3.43Å; V233-R242 WeakPolarHBondContact O-CG 3.48Å; V233-R242 PolarHBondContact O-NE 3.3Å; L234-R242 HydrophobicContact CD2-CB 4.37Å; L234-R242 HydrophobicContact CD2-CG 3.91Å; L234-R242 HydrophobicContact CG-CG 4.36Å; R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.14Å
243	M	98.5	Very high	97.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-42	176.9	-178.5	61.8	71.1	0	0	111.1	A226 N241 S246 L247 F287 I303 F307	A226-M243 VanDerWaalsContact O-CE 3.23Å; A226-M243 WeakPolarHBondContact O-CE 3.4Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.48Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 VanDerWaalsContact OD1-CB 3.29Å; N241-M243 WeakPolarHBondContact OD1-CB 3.43Å; N241-M243 PolarHBondContact OD1-N 2.8Å; M243-S246 CarbonylContact O-C 3.56Å; M243-S246 WeakPolarHBondContact O-CA 3.27Å; M243-S246 WeakPolarHBondContact O-CB 3.3Å; M243-S246 PolarHBondContact O-N 3.44Å; M243-S246 VanDerWaalsContact O-N 3.1Å; M243-L247 HydrophobicContact CG-CD1 4.43Å; M243-L247 WeakPolarHBondContact O-CG 3.38Å; M243-L247 PolarHBondContact O-N 3.42Å; M243-F287 HydrophobicContact CG-CE2 4.02Å; M243-F287 HydrophobicContact CG-CZ 3.71Å; M243-I303 HydrophobicContact CE-CD1 4.24Å; M243-I303 HydrophobicContact CE-CG2 3.97Å; M243-I303 HydrophobicContact SD-CG2 3.97Å; M243-F307 HydrophobicContact SD-CE2 3.6Å; M243-F307 HydrophobicContact SD-CZ 3.85Å
244	H	98.5	Very high	97.1	Very high	83 Å²	83	48.6 Å²	48.6	38%	0.384	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-41.3	173.9	-77.3	-52.6	0	0	0	112.5	N241 S246 L247 H248 C286	N241-H244 HydrophobicContact CB-CB 4.26Å; N241-H244 PolarHBondContact O-N 2.9Å; N241-H244 PolarHBondContact OD1-N 2.63Å; H244-S246 VanDerWaalsContact C-N 3.29Å; H244-S246 PolarHBondContact O-N 2.99Å; H244-L247 PolarHBondContact O-N 3.39Å; H244-H248 WeakPolarHBondContact O-CB 3.43Å; H244-H248 PolarHBondContact O-N 3.41Å; H244-C286 PolarHBondContact NE2-O 3.43Å
245	E	98.3	Very high	97.1	Very high	13 Å²	13	50.2 Å²	50.2	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-42.5	170.7	176.5	72.9	-178.8	0	0	111.6	R205 R208 L234 V240 N241 H248 L249	R205-E245 IonicContact CZ-OE1 3.19Å; R205-E245 IonicContact CZ-OE2 3.78Å; R205-E245 IonicContact NE-OE1 2.93Å; R205-E245 PolarHBondContact NE-OE1 2.89Å; R205-E245 IonicContact NE-OE2 3.88Å; R205-E245 IonicContact NH2-OE1 2.7Å; R205-E245 IonicContact NH2-OE2 2.57Å; R205-E245 PolarHBondContact NH2-OE2 3.41Å; R208-E245 IonicContact CZ-OE1 3.06Å; R208-E245 IonicContact NH1-OE1 3.93Å; R208-E245 PolarHBondContact NH1-OE1 3.22Å; R208-E245 IonicContact NH2-OE1 2.74Å; R208-E245 PolarHBondContact NH2-OE1 3.43Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.73Å; L234-E245 HydrophobicContact CD2-CB 4.05Å; L234-E245 HydrophobicContact CD2-CG 3.88Å; L234-E245 HydrophobicContact CG-CB 4.27Å; L234-E245 HydrophobicContact CG-CG 4.35Å; V240-E245 HydrophobicContact CG1-CB 4.11Å; N241-E245 PolarHBondContact O-N 2.8Å; E245-H248 PolarHBondContact O-N 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.48Å; E245-L249 PolarHBondContact O-N 3.13Å
246	S	98.7	Very high	97.2	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-39.8	178.5	-168.9	0	0	0	0	112.1	A225 R242 M243 H244 F250	A225-S246 WeakPolarHBondContact CB-OG 3.49Å; R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.14Å; M243-S246 CarbonylContact O-C 3.56Å; M243-S246 WeakPolarHBondContact O-CA 3.27Å; M243-S246 WeakPolarHBondContact O-CB 3.3Å; M243-S246 PolarHBondContact O-N 3.44Å; M243-S246 VanDerWaalsContact O-N 3.1Å; H244-S246 VanDerWaalsContact C-N 3.29Å; H244-S246 PolarHBondContact O-N 2.99Å; S246-F250 WeakPolarHBondContact O-CB 3.4Å; S246-F250 PolarHBondContact O-N 2.85Å
247	L	98.8	Very high	97.1	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-49.1	174.4	-75.5	166.7	0	0	0	111.4	M243 H244 L249 F250 N251 F287 Q306 F307 L310	M243-L247 HydrophobicContact CG-CD1 4.43Å; M243-L247 WeakPolarHBondContact O-CG 3.38Å; M243-L247 PolarHBondContact O-N 3.42Å; H244-L247 PolarHBondContact O-N 3.39Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.35Å; L247-F250 PolarHBondContact O-N 3.06Å; L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 3.15Å; L247-F287 HydrophobicContact CD1-CE1 3.69Å; L247-F287 HydrophobicContact CD1-CZ 3.83Å; L247-Q306 HydrophobicContact CD1-CB 4.47Å; L247-Q306 HydrophobicContact CD2-CB 3.95Å; L247-F307 HydrophobicContact CD2-CB 4.45Å; L247-F307 HydrophobicContact CD2-CD1 3.8Å; L247-F307 HydrophobicContact CD2-CD2 3.73Å; L247-F307 HydrophobicContact CD2-CE1 3.84Å; L247-F307 HydrophobicContact CD2-CE2 3.77Å; L247-F307 HydrophobicContact CD2-CG 3.73Å; L247-F307 HydrophobicContact CD2-CZ 3.81Å; L247-F307 HydrophobicContact CG-CE1 4.26Å; L247-F307 HydrophobicContact CG-CE2 4.23Å; L247-F307 HydrophobicContact CG-CZ 4Å; L247-L310 HydrophobicContact CB-CD1 4.09Å; L247-L310 HydrophobicContact CD2-CD1 3.71Å; L247-L310 VanDerWaalsContact O-CD1 3.32Å; L247-L310 WeakPolarHBondContact O-CD1 3.15Å
248	H	98.3	Very high	97	Very high	129 Å²	129	56.9 Å²	56.9	60%	0.597	27%	0.272	S	S	*	.	H	α-helix	trans	-57.3	-45.6	176.2	175.2	-86.7	0	0	0	111.3	H244 E245 N251 S252	H244-H248 WeakPolarHBondContact O-CB 3.43Å; H244-H248 PolarHBondContact O-N 3.41Å; E245-H248 PolarHBondContact O-N 3.23Å; H248-N251 PolarHBondContact O-N 3.37Å; H248-S252 PolarHBondContact O-N 3.2Å; H248-S252 VanDerWaalsContact O-N 3.16Å
249	L	98	Very high	97.1	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-46.4	176.3	-177.3	64.3	0	0	0	111.6	A41 W211 F223 E245 L247 N251 S252 I253	A41-L249 HydrophobicContact CB-CD2 4.46Å; W211-L249 HydrophobicContact CH2-CD1 3.75Å; W211-L249 HydrophobicContact CH2-CD2 3.69Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.6Å; W211-L249 HydrophobicContact CZ3-CD2 4.29Å; W211-L249 HydrophobicContact CZ3-CG 4.25Å; F223-L249 HydrophobicContact CE2-CD2 4.06Å; F223-L249 HydrophobicContact CE2-CG 3.91Å; F223-L249 HydrophobicContact CZ-CB 4.2Å; F223-L249 HydrophobicContact CZ-CD2 3.91Å; F223-L249 HydrophobicContact CZ-CG 3.94Å; E245-L249 WeakPolarHBondContact O-CB 3.48Å; E245-L249 PolarHBondContact O-N 3.13Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.35Å; L249-N251 PolarHBondContact O-N 3.03Å; L249-S252 PolarHBondContact O-N 3.33Å; L249-S252 PolarHBondContact O-OG 3.43Å; L249-I253 WeakPolarHBondContact O-CG1 3.4Å; L249-I253 PolarHBondContact O-N 2.91Å
250	F	98.5	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-46.2	178.4	-176.7	-105.8	0	0	0	112.1	F223 S246 L247 S252 I253 C254 I264 L266 F307 L310 I319	F223-F250 HydrophobicContact CB-CD2 4.01Å; F223-F250 HydrophobicContact CB-CE2 4.04Å; F223-F250 HydrophobicContact CD1-CB 4.39Å; F223-F250 AromaticContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CE2 4.26Å; F223-F250 HydrophobicContact CD1-CG 4.38Å; F223-F250 AromaticContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CE1-CB 3.83Å; F223-F250 AromaticContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CG 4.3Å; F223-F250 HydrophobicContact CE2-CB 4.14Å; F223-F250 HydrophobicContact CE2-CD2 4.11Å; F223-F250 AromaticContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CE2 4.07Å; F223-F250 HydrophobicContact CZ-CB 3.68Å; F223-F250 HydrophobicContact CZ-CD2 4.14Å; F223-F250 HydrophobicContact CZ-CG 4.44Å; S246-F250 WeakPolarHBondContact O-CB 3.4Å; S246-F250 PolarHBondContact O-N 2.85Å; L247-F250 PolarHBondContact O-N 3.06Å; F250-S252 PolarHBondContact O-N 2.88Å; F250-I253 PolarHBondContact O-N 3.39Å; F250-C254 HydrophobicContact CD1-CB 4.43Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.38Å; F250-C254 HydrophobicContact CZ-CB 4.01Å; F250-C254 PolarHBondContact O-N 3.25Å; F250-C254 PolarHBondContact O-SG 2.59Å; F250-I264 HydrophobicContact CE2-CG2 4.17Å; F250-L266 HydrophobicContact CD2-CD1 4.35Å; F250-L266 HydrophobicContact CE2-CD1 4.12Å; F250-F307 HydrophobicContact CB-CD1 3.64Å; F250-F307 HydrophobicContact CB-CE1 3.7Å; F250-F307 HydrophobicContact CD1-CB 4.28Å; F250-F307 AromaticContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CG 4.47Å; F250-F307 HydrophobicContact CD2-CD1 4.19Å; F250-F307 HydrophobicContact CE1-CB 4.23Å; F250-F307 HydrophobicContact CE1-CD1 4.31Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CE1 4.11Å; F250-L310 HydrophobicContact CD1-CB 4.21Å; F250-L310 HydrophobicContact CD1-CD1 4.03Å; F250-I319 HydrophobicContact CE1-CD1 4.08Å; F250-I319 HydrophobicContact CZ-CD1 3.61Å; F250-I319 HydrophobicContact CZ-CG2 4.07Å
251	N	98.4	Very high	96.4	Very high	61 Å²	61	48 Å²	48	33%	0.326	24%	0.243	S	C	.	.	H	α-helix	trans	-52.5	-43.3	175.6	-173.4	29.3	0	0	0	111.7	L247 H248 L249 I253 N255 L310	L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 3.15Å; H248-N251 PolarHBondContact O-N 3.37Å; L249-N251 PolarHBondContact O-N 3.03Å; N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.91Å; N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3Å; N251-N255 PolarHBondContact O-ND2 3.34Å; N251-N255 VanDerWaalsContact O-ND2 3.09Å; N251-N255 PolarHBondContact OD1-ND2 3.34Å; N251-L310 HydrophobicContact CB-CB 4.27Å; N251-L310 HydrophobicContact CB-CD1 4.07Å; N251-L310 HydrophobicContact CB-CD2 4.09Å; N251-L310 HydrophobicContact CB-CG 4.37Å
252	S	97	Very high	96.2	Very high	54 Å²	54	47.2 Å²	47.2	38%	0.378	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-31.7	178.4	78.7	0	0	0	0	113.5	H248 L249 F250 H256	H248-S252 PolarHBondContact O-N 3.2Å; H248-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-N 3.33Å; L249-S252 PolarHBondContact O-OG 3.43Å; F250-S252 PolarHBondContact O-N 2.88Å; S252-H256 WeakPolarHBondContact O-CB 3.28Å
253	I	97	Very high	96	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-85.3	-50.5	-177.5	-65.6	-54.5	0	0	0	111.2	L39 W211 F215 I221 F223 L249 F250 N251 N255 H256 F259	L39-I253 HydrophobicContact CD1-CD1 3.82Å; L39-I253 HydrophobicContact CD1-CG1 4.08Å; L39-I253 HydrophobicContact CD1-CG2 3.75Å; W211-I253 HydrophobicContact CE3-CD1 4.23Å; W211-I253 HydrophobicContact CZ3-CD1 4.1Å; W211-I253 HydrophobicContact CZ3-CG1 4.42Å; F215-I253 HydrophobicContact CZ-CD1 4.28Å; I221-I253 HydrophobicContact CD1-CG2 4.05Å; I221-I253 HydrophobicContact CG2-CG2 4.36Å; F223-I253 HydrophobicContact CD2-CG1 4.49Å; F223-I253 HydrophobicContact CD2-CG2 4.47Å; F223-I253 HydrophobicContact CE2-CG1 4.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.4Å; L249-I253 PolarHBondContact O-N 2.91Å; F250-I253 PolarHBondContact O-N 3.39Å; N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.91Å; I253-N255 PolarHBondContact O-N 3.41Å; I253-H256 WeakPolarHBondContact O-CB 3.5Å; I253-H256 PolarHBondContact O-N 2.93Å; I253-H256 VanDerWaalsContact O-N 3.08Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.11Å; I253-F259 HydrophobicContact CG2-CE2 4.14Å
254	C	96.9	Very high	95.8	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-29.2	-174.3	66.2	0	0	0	0	112.6	F250 I264 I319	F250-C254 HydrophobicContact CD1-CB 4.43Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.38Å; F250-C254 HydrophobicContact CZ-CB 4.01Å; F250-C254 PolarHBondContact O-N 3.25Å; F250-C254 PolarHBondContact O-SG 2.59Å; C254-I264 HydrophobicContact CB-CD1 3.97Å; C254-I319 HydrophobicContact CB-CD1 3.85Å
255	N	96.6	Very high	95.8	Very high	42 Å²	42	42.5 Å²	42.5	23%	0.225	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.1	177.7	-59.4	-52.9	0	0	0	113.7	N251 I253 L310 L312	N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3Å; N251-N255 PolarHBondContact O-ND2 3.34Å; N251-N255 VanDerWaalsContact O-ND2 3.09Å; N251-N255 PolarHBondContact OD1-ND2 3.34Å; I253-N255 PolarHBondContact O-N 3.41Å; N255-L310 PolarHBondContact ND2-O 3.46Å; N255-L312 HydrophobicContact CB-CD1 4.42Å; N255-L312 WeakPolarHBondContact OD1-CB 3.42Å; N255-L312 WeakPolarHBondContact OD1-CG 3.43Å; N255-L312 PolarHBondContact OD1-N 3.34Å
256	H	95.1	Very high	95.8	Very high	57 Å²	57	41.9 Å²	41.9	26%	0.264	22%	0.217	S	C	.	.			trans	-69.8	136.5	-177.7	-161.5	-108.5	0	0	0	112	F215 S252 I253 Y258 F259	F215-H256 AromaticContact CD2-CE1 3.74Å; F215-H256 AromaticContact CD2-ND1 3.95Å; F215-H256 AromaticContact CE2-CE1 3.55Å; F215-H256 AromaticContact CE2-ND1 3.76Å; S252-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 WeakPolarHBondContact O-CB 3.5Å; I253-H256 PolarHBondContact O-N 2.93Å; I253-H256 VanDerWaalsContact O-N 3.08Å; H256-Y258 VanDerWaalsContact C-N 3.28Å; H256-Y258 AromaticContact CE1-CD2 3.22Å; H256-Y258 WeakPolarHBondContact CE1-CD2 3.49Å; H256-Y258 AromaticContact CE1-CG 3.95Å; H256-Y258 AromaticContact ND1-CD2 3.66Å; H256-Y258 PolarHBondContact ND1-N 3.37Å; H256-Y258 PolarHBondContact O-N 3.38Å; H256-F259 HydrophobicContact CB-CD2 3.75Å; H256-F259 HydrophobicContact CB-CE2 4.43Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 CarbonylContact O-C 3.55Å; H256-F259 PolarHBondContact O-N 3.49Å
257	K	93.4	Very high	95.8	Very high	159 Å²	159	41.8 Å²	41.8	69%	0.691	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-60.3	-32.1	-177.6	68.4	179.7	-178.4	177.7	0	114.6	F259 S260	K257-F259 PolarHBondContact O-N 2.95Å; K257-S260 PolarHBondContact O-N 3.34Å; K257-S260 PolarHBondContact O-OG 3.18Å
258	Y	93.6	Very high	95.8	Very high	128 Å²	128	41 Å²	41	50%	0.502	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-69.7	-16	177.4	-77.3	-99	0	0	0	112.7	I212 F215 H256	I212-Y258 HydrophobicContact CD1-CE2 4.29Å; F215-Y258 HydrophobicContact CB-CD1 4.38Å; F215-Y258 HydrophobicContact CD2-CG 4.35Å; H256-Y258 VanDerWaalsContact C-N 3.28Å; H256-Y258 AromaticContact CE1-CD2 3.22Å; H256-Y258 WeakPolarHBondContact CE1-CD2 3.49Å; H256-Y258 AromaticContact CE1-CG 3.95Å; H256-Y258 AromaticContact ND1-CD2 3.66Å; H256-Y258 PolarHBondContact ND1-N 3.37Å; H256-Y258 PolarHBondContact O-N 3.38Å
259	F	94.2	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-114.2	21.7	-176.7	-55	-41.9	0	0	0	112	L37 L39 F215 V218 I221 I253 H256 K257 T261 T262 K317	L37-F259 HydrophobicContact CD2-CE1 4.43Å; L37-F259 HydrophobicContact CD2-CZ 4.01Å; L39-F259 HydrophobicContact CD1-CE2 4.27Å; L39-F259 HydrophobicContact CD1-CZ 4.45Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.15Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.22Å; F215-F259 AromaticContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD2-CE1 4.21Å; F215-F259 HydrophobicContact CD2-CE2 4.01Å; F215-F259 AromaticContact CD2-CZ 3.61Å; F215-F259 HydrophobicContact CD2-CZ 3.61Å; F215-F259 AromaticContact CE1-CE2 3.9Å; F215-F259 HydrophobicContact CE1-CE2 3.9Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.69Å; F215-F259 HydrophobicContact CE2-CE2 3.69Å; F215-F259 AromaticContact CE2-CZ 3.71Å; F215-F259 HydrophobicContact CE2-CZ 3.71Å; F215-F259 AromaticContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE2 4.26Å; F215-F259 AromaticContact CG-CZ 3.43Å; F215-F259 HydrophobicContact CG-CZ 3.43Å; F215-F259 VanDerWaalsContact CG-CZ 3.43Å; F215-F259 AromaticContact CZ-CE2 3.62Å; F215-F259 HydrophobicContact CZ-CE2 3.62Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å; V218-F259 HydrophobicContact CB-CE1 4.45Å; V218-F259 HydrophobicContact CG2-CE1 4.25Å; I221-F259 HydrophobicContact CD1-CB 4Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.41Å; I221-F259 VanDerWaalsContact CD1-CD2 3.41Å; I221-F259 HydrophobicContact CD1-CE1 3.74Å; I221-F259 HydrophobicContact CD1-CE2 3.57Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.69Å; I221-F259 HydrophobicContact CG1-CE1 4.47Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.11Å; I253-F259 HydrophobicContact CG2-CE2 4.14Å; H256-F259 HydrophobicContact CB-CD2 3.75Å; H256-F259 HydrophobicContact CB-CE2 4.43Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 CarbonylContact O-C 3.55Å; H256-F259 PolarHBondContact O-N 3.49Å; K257-F259 PolarHBondContact O-N 2.95Å; F259-T261 PolarHBondContact O-N 3.48Å; F259-T262 HydrophobicContact CD1-CG2 4.47Å; F259-T262 PolarHBondContact O-N 2.98Å; F259-K317 PolarHBondContact O-NZ 3.11Å
260	S	91	Very high	95.8	Very high	57 Å²	57	36 Å²	36	40%	0.399	19%	0.188	S	C	.	.	S	Bend	trans	-59.2	-35.7	-176.9	52.7	0	0	0	0	113	K257	K257-S260 PolarHBondContact O-N 3.34Å; K257-S260 PolarHBondContact O-OG 3.18Å
261	T	88.7	Confident	95.8	Very high	131 Å²	131	38.5 Å²	38.5	80%	0.804	20%	0.199	S	C	*	.	S	Bend	trans	-107.9	-5.3	179.2	56.7	0	0	0	0	113.1	F259	F259-T261 PolarHBondContact O-N 3.48Å
262	T	92.6	Very high	95.7	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	20%	0.198	C	C	.	.	S	Bend	trans	-77.7	127.1	-177.8	-56.6	0	0	0	0	111	V218 I221 F259 K317	V218-T262 HydrophobicContact CB-CG2 4.14Å; V218-T262 HydrophobicContact CG1-CG2 3.72Å; V218-T262 WeakPolarHBondContact O-CG2 3.25Å; V218-T262 PolarHBondContact O-OG1 3.14Å; I221-T262 HydrophobicContact CD1-CG2 4.13Å; I221-T262 HydrophobicContact CG1-CG2 3.9Å; F259-T262 HydrophobicContact CD1-CG2 4.47Å; F259-T262 PolarHBondContact O-N 2.98Å; T262-K317 WeakPolarHBondContact O-CE 3.26Å; T262-K317 PolarHBondContact O-NZ 2.91Å
263	S	93.2	Very high	95.8	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.3	174.1	-33.4	0	0	0	0	111.1	C220 I221 E346	C220-S263 WeakPolarHBondContact CA-O 3.38Å; I221-S263 PolarHBondContact N-O 3.11Å; S263-E346 WeakPolarHBondContact CB-OE2 3.26Å; S263-E346 PolarHBondContact OG-OE2 3.27Å
264	I	96.1	Very high	95.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.2	177.6	-59	-176.4	0	0	0	109.8	I221 F250 C254 I319 Y320	I221-I264 HydrophobicContact CB-CG1 4.21Å; I221-I264 HydrophobicContact CD1-CD1 4.41Å; I221-I264 HydrophobicContact CD1-CG1 4.34Å; I221-I264 WeakPolarHBondContact O-CA 3.32Å; F250-I264 HydrophobicContact CE2-CG2 4.17Å; C254-I264 HydrophobicContact CB-CD1 3.97Å; I264-I319 HydrophobicContact CB-CG1 4.37Å; I264-I319 HydrophobicContact CG2-CG2 4.23Å; I264-Y320 PolarHBondContact O-N 2.79Å
265	V	97.4	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.2	169.9	-172.6	0	0	0	0	109.4	I221 I222 F223 F267 Y320 V339	I221-V265 PolarHBondContact O-N 3.47Å; I222-V265 CarbonylContact C-O 3.59Å; I222-V265 WeakPolarHBondContact CA-O 3.45Å; F223-V265 PolarHBondContact N-O 3.15Å; V265-F267 HydrophobicContact CG1-CD1 3.84Å; V265-F267 HydrophobicContact CG1-CE1 3.64Å; V265-Y320 CarbonylContact C-O 3.44Å; V265-Y320 WeakPolarHBondContact CA-O 3.49Å; V265-V339 HydrophobicContact CB-CG2 4.3Å; V265-V339 HydrophobicContact CG1-CG2 3.73Å; V265-V339 HydrophobicContact CG2-CG1 4.03Å; V265-V339 HydrophobicContact CG2-CG2 4Å
266	L	98.5	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114	174.9	176.4	65.7	0	0	0	110.2	F223 A225 F250 L268 F307 I319 Y320 S321 H322	F223-L266 HydrophobicContact CD1-CD1 3.89Å; A225-L266 HydrophobicContact CB-CD1 4.35Å; F250-L266 HydrophobicContact CD2-CD1 4.35Å; F250-L266 HydrophobicContact CE2-CD1 4.12Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD1 4.47Å; L266-L268 HydrophobicContact CD2-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CG 4.09Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.09Å; L266-F307 HydrophobicContact CD1-CD1 4.05Å; L266-F307 HydrophobicContact CD1-CG 4.24Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.42Å; L266-F307 HydrophobicContact CD2-CD2 4.39Å; L266-F307 HydrophobicContact CD2-CG 3.85Å; L266-I319 HydrophobicContact CB-CG2 4.14Å; L266-Y320 PolarHBondContact N-O 3.11Å; L266-S321 VanDerWaalsContact O-CA 3.31Å; L266-S321 WeakPolarHBondContact O-CA 3.41Å; L266-H322 PolarHBondContact O-N 3.37Å
267	F	98.7	Very high	95.9	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.4	168.3	-78.6	12.3	0	0	0	109.3	I49 I222 F223 C224 A225 V265 N269 H322 T324 V335 V339	I49-F267 HydrophobicContact CD1-CD2 4.15Å; I49-F267 HydrophobicContact CD1-CE2 4.1Å; I49-F267 HydrophobicContact CG1-CD2 4.28Å; I49-F267 HydrophobicContact CG1-CE2 4.39Å; I49-F267 HydrophobicContact CG2-CE2 4.5Å; I222-F267 HydrophobicContact CD1-CZ 4.46Å; I222-F267 HydrophobicContact CG2-CB 4.36Å; I222-F267 HydrophobicContact CG2-CD1 3.94Å; I222-F267 HydrophobicContact CG2-CD2 3.58Å; I222-F267 HydrophobicContact CG2-CE1 4.07Å; I222-F267 HydrophobicContact CG2-CE2 3.72Å; I222-F267 HydrophobicContact CG2-CG 3.69Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; F223-F267 PolarHBondContact O-N 3.29Å; C224-F267 WeakPolarHBondContact CA-O 3.1Å; A225-F267 PolarHBondContact N-O 3.04Å; V265-F267 HydrophobicContact CG1-CD1 3.84Å; V265-F267 HydrophobicContact CG1-CE1 3.64Å; F267-N269 VanDerWaalsContact C-N 3.35Å; F267-N269 PolarHBondContact O-N 2.83Å; F267-H322 HydrophobicContact CD1-CB 4.43Å; F267-T324 HydrophobicContact CB-CG2 4.41Å; F267-T324 HydrophobicContact CD1-CG2 4.25Å; F267-T324 HydrophobicContact CD2-CG2 4.08Å; F267-T324 HydrophobicContact CE2-CG2 4.43Å; F267-T324 HydrophobicContact CG-CG2 4Å; F267-V335 HydrophobicContact CD1-CG1 4.23Å; F267-V335 HydrophobicContact CE1-CG1 3.4Å; F267-V335 VanDerWaalsContact CE1-CG1 3.4Å; F267-V335 HydrophobicContact CE2-CG1 4.4Å; F267-V335 HydrophobicContact CZ-CG1 3.52Å; F267-V339 HydrophobicContact CE1-CG2 3.91Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å
268	L	98.8	Very high	96.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	84.2	168.4	-65.6	174.2	0	0	0	107.9	A225 L227 L266 I303 K304 F307 H322 M323 T324	A225-L268 HydrophobicContact CB-CD2 4.32Å; A225-L268 CarbonylContact O-C 3.47Å; L227-L268 HydrophobicContact CD1-CB 3.92Å; L227-L268 HydrophobicContact CD2-CB 4Å; L227-L268 HydrophobicContact CD2-CD2 4.09Å; L227-L268 HydrophobicContact CD2-CG 4.42Å; L227-L268 HydrophobicContact CG-CB 3.86Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD1 4.47Å; L266-L268 HydrophobicContact CD2-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CG 4.09Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.09Å; L268-I303 HydrophobicContact CD2-CG2 4.34Å; L268-K304 HydrophobicContact CD1-CB 3.51Å; L268-K304 HydrophobicContact CD1-CG 3.99Å; L268-F307 HydrophobicContact CD2-CD2 3.93Å; L268-F307 HydrophobicContact CD2-CE2 4.11Å; L268-H322 PolarHBondContact N-O 2.6Å; L268-M323 HydrophobicContact CB-CG 4.37Å; L268-M323 CarbonylContact O-C 3.6Å; L268-M323 WeakPolarHBondContact O-CA 3.22Å; L268-T324 PolarHBondContact O-N 3.07Å
269	N	98.7	Very high	96.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	168.9	-168.6	-169.4	33.6	0	0	0	112.9	S44 A225 L227 F267 K271 T324 A326	S44-N269 PolarHBondContact O-ND2 3.06Å; A225-N269 PolarHBondContact O-N 3.31Å; L227-N269 WeakPolarHBondContact CB-O 3.33Å; L227-N269 PolarHBondContact N-O 3.14Å; F267-N269 VanDerWaalsContact C-N 3.35Å; F267-N269 PolarHBondContact O-N 2.83Å; N269-K271 VanDerWaalsContact C-N 3.31Å; N269-T324 CarbonylContact C-O 3.54Å; N269-T324 VanDerWaalsContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.36Å; N269-T324 WeakPolarHBondContact CA-OG1 3.49Å; N269-T324 WeakPolarHBondContact CB-OG1 3.41Å; N269-T324 PolarHBondContact OD1-O 3.35Å; N269-T324 PolarHBondContact OD1-OG1 3.14Å; N269-A326 PolarHBondContact OD1-N 3.2Å
270	K	98.2	Very high	96.3	Very high	28 Å²	28	44.3 Å²	44.3	12%	0.122	23%	0.231	C	C	.	.			trans	61.7	39.1	-178	-52.8	-179.2	176.1	-179.8	0	112.3	E43 D150 A226 S228 D272 I273 F274 T324	E43-K270 WeakPolarHBondContact O-CE 3.34Å; E43-K270 PolarHBondContact O-NZ 2.95Å; D150-K270 WeakPolarHBondContact OD2-CD 3.48Å; D150-K270 WeakPolarHBondContact OD2-CE 3.43Å; D150-K270 IonicContact OD2-NZ 2.86Å; D150-K270 PolarHBondContact OD2-NZ 3.36Å; A226-K270 HydrophobicContact CB-CD 3.91Å; S228-K270 VanDerWaalsContact OG-CD 3.27Å; S228-K270 WeakPolarHBondContact OG-CD 3.33Å; K270-D272 VanDerWaalsContact CA-OD1 3.26Å; K270-D272 WeakPolarHBondContact CA-OD1 3.29Å; K270-D272 PolarHBondContact O-N 3.08Å; K270-I273 HydrophobicContact CD-CD1 4.5Å; K270-I273 PolarHBondContact O-N 3.31Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.25Å; K270-T324 PolarHBondContact N-O 2.93Å
271	K	98	Very high	96.6	Very high	53 Å²	53	43.6 Å²	43.6	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-31.4	179.4	74.6	178.6	-176.8	176.5	0	112.2	L227 N269 Q275 F296 M323 T324 C325 N331	L227-K271 HydrophobicContact CD1-CB 4.19Å; N269-K271 VanDerWaalsContact C-N 3.31Å; K271-Q275 VanDerWaalsContact O-CB 3.22Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 PolarHBondContact O-N 3.23Å; K271-F296 HydrophobicContact CB-CE2 3.83Å; K271-F296 HydrophobicContact CB-CZ 3.96Å; K271-M323 HydrophobicContact CB-CB 4.48Å; K271-M323 HydrophobicContact CD-CB 4.22Å; K271-T324 WeakPolarHBondContact CG-O 3.32Å; K271-T324 PolarHBondContact N-O 3.35Å; K271-T324 VanDerWaalsContact N-O 3.1Å; K271-C325 HydrophobicContact CG-CB 4.14Å; K271-N331 PolarHBondContact NZ-ND2 3.03Å
272	D	97.2	Very high	97	Very high	59 Å²	59	41 Å²	41	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-54	175.7	55.9	-44.8	0	0	0	111.3	K270 F274 Q275 E276 C325	K270-D272 VanDerWaalsContact CA-OD1 3.26Å; K270-D272 WeakPolarHBondContact CA-OD1 3.29Å; K270-D272 PolarHBondContact O-N 3.08Å; D272-F274 VanDerWaalsContact C-N 3.34Å; D272-F274 PolarHBondContact O-N 3.4Å; D272-Q275 PolarHBondContact O-N 3.48Å; D272-E276 PolarHBondContact O-N 3.07Å; D272-C325 VanDerWaalsContact CG-SG 3.57Å
273	I	97.3	Very high	97.3	Very high	41 Å²	41	40.5 Å²	40.5	21%	0.21	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-39.4	178.4	-56.1	176.8	0	0	0	110.4	D150 K270 Q275 E276 K277	D150-I273 HydrophobicContact CB-CD1 3.6Å; D150-I273 VanDerWaalsContact CG-CD1 3.5Å; D150-I273 WeakPolarHBondContact OD2-CD1 3.28Å; K270-I273 HydrophobicContact CD-CD1 4.5Å; K270-I273 PolarHBondContact O-N 3.31Å; I273-Q275 PolarHBondContact O-N 3.39Å; I273-E276 PolarHBondContact O-N 2.99Å; I273-K277 HydrophobicContact CG2-CD 3.69Å; I273-K277 HydrophobicContact CG2-CG 4.19Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 WeakPolarHBondContact O-CG 3.5Å; I273-K277 PolarHBondContact O-N 2.82Å
274	F	98.2	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-42.6	176.7	178	-109.9	0	0	0	112.4	L227 Y230 K270 D272 E276 K277 V278 F296 A299 I303	L227-F274 HydrophobicContact CB-CB 3.61Å; L227-F274 HydrophobicContact CB-CD1 4.14Å; L227-F274 HydrophobicContact CB-CD2 3.98Å; L227-F274 HydrophobicContact CB-CG 3.64Å; L227-F274 HydrophobicContact CD1-CD1 4.15Å; L227-F274 HydrophobicContact CD1-CG 4.44Å; L227-F274 WeakPolarHBondContact O-CD2 3.17Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.78Å; Y230-F274 HydrophobicContact CD1-CE2 3.78Å; Y230-F274 AromaticContact CE1-CD2 3.78Å; Y230-F274 HydrophobicContact CE1-CD2 3.78Å; Y230-F274 AromaticContact CE1-CE2 3.82Å; Y230-F274 HydrophobicContact CE1-CE2 3.82Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.25Å; D272-F274 VanDerWaalsContact C-N 3.34Å; D272-F274 PolarHBondContact O-N 3.4Å; F274-E276 PolarHBondContact O-N 3.46Å; F274-K277 PolarHBondContact O-N 2.97Å; F274-V278 HydrophobicContact CD2-CB 4.48Å; F274-V278 HydrophobicContact CE1-CB 4.44Å; F274-V278 HydrophobicContact CE2-CB 4.11Å; F274-V278 HydrophobicContact CE2-CG2 4.16Å; F274-V278 HydrophobicContact CZ-CB 4.09Å; F274-V278 HydrophobicContact CZ-CG2 3.91Å; F274-V278 WeakPolarHBondContact O-CB 3.48Å; F274-V278 WeakPolarHBondContact O-CG1 3.35Å; F274-V278 PolarHBondContact O-N 3.48Å; F274-F296 AromaticContact CD1-CD2 3.68Å; F274-F296 HydrophobicContact CD1-CD2 3.68Å; F274-F296 AromaticContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CE1-CD2 4.1Å; F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.76Å; F274-I303 HydrophobicContact CE2-CD1 3.79Å; F274-I303 HydrophobicContact CZ-CD1 3.81Å
275	Q	97.9	Very high	97.5	Very high	110 Å²	110	47.1 Å²	47.1	51%	0.514	24%	0.236	S	C	.	.	H	α-helix	trans	-57.8	-36.2	179.1	180	172.9	-7.8	0	0	112.1	K271 D272 I273 F296	K271-Q275 VanDerWaalsContact O-CB 3.22Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 PolarHBondContact O-N 3.23Å; D272-Q275 PolarHBondContact O-N 3.48Å; I273-Q275 PolarHBondContact O-N 3.39Å; Q275-F296 HydrophobicContact CB-CD2 3.71Å; Q275-F296 HydrophobicContact CB-CE2 4.27Å; Q275-F296 HydrophobicContact CB-CG 4.34Å; Q275-F296 HydrophobicContact CG-CB 4.28Å; Q275-F296 HydrophobicContact CG-CD2 4.21Å; Q275-F296 HydrophobicContact CG-CG 4.35Å
276	E	95.9	Very high	97.5	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.612	24%	0.237	S	C	*	.	H	α-helix	trans	-75.9	-50.6	174	-64.5	-179.2	-169.7	0	0	112	D272 I273 F274 V278 T279	D272-E276 PolarHBondContact O-N 3.07Å; I273-E276 PolarHBondContact O-N 2.99Å; F274-E276 PolarHBondContact O-N 3.46Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 2.84Å; E276-T279 PolarHBondContact O-N 3.28Å; E276-T279 VanDerWaalsContact O-N 3.08Å; E276-T279 PolarHBondContact O-OG1 3.27Å
277	K	96.5	Very high	97.5	Very high	36 Å²	36	47.7 Å²	47.7	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-38.4	-173.9	-72.2	-178.7	69.3	174.6	0	113.1	S228 Y230 D231 I273 F274 T279 K280 V281	S228-K277 PolarHBondContact O-NZ 3.24Å; Y230-K277 HydrophobicContact CE1-CB 4.1Å; Y230-K277 VanDerWaalsContact OH-C 3.24Å; Y230-K277 PolarHBondContact OH-O 2.94Å; Y230-K277 VanDerWaalsContact OH-O 3.09Å; D231-K277 VanDerWaalsContact CG-CE 3.41Å; D231-K277 VanDerWaalsContact CG-NZ 3.27Å; D231-K277 WeakPolarHBondContact OD1-CE 3.41Å; D231-K277 IonicContact OD1-NZ 4Å; D231-K277 PolarHBondContact OD1-NZ 3.23Å; D231-K277 WeakPolarHBondContact OD2-CE 3.29Å; D231-K277 IonicContact OD2-NZ 3.85Å; D231-K277 PolarHBondContact OD2-NZ 2.89Å; I273-K277 HydrophobicContact CG2-CD 3.69Å; I273-K277 HydrophobicContact CG2-CG 4.19Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 WeakPolarHBondContact O-CG 3.5Å; I273-K277 PolarHBondContact O-N 2.82Å; F274-K277 PolarHBondContact O-N 2.97Å; K277-T279 PolarHBondContact O-N 3.29Å; K277-T279 VanDerWaalsContact O-N 3.13Å; K277-K280 PolarHBondContact O-N 2.85Å; K277-V281 PolarHBondContact O-N 3.31Å
278	V	97.4	Very high	97.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	178.2	80.4	0	0	0	0	111.8	Y230 F274 E276 K280 N294 A299	Y230-V278 WeakPolarHBondContact OH-CA 3.25Å; Y230-V278 PolarHBondContact OH-N 3.22Å; F274-V278 HydrophobicContact CD2-CB 4.48Å; F274-V278 HydrophobicContact CE1-CB 4.44Å; F274-V278 HydrophobicContact CE2-CB 4.11Å; F274-V278 HydrophobicContact CE2-CG2 4.16Å; F274-V278 HydrophobicContact CZ-CB 4.09Å; F274-V278 HydrophobicContact CZ-CG2 3.91Å; F274-V278 WeakPolarHBondContact O-CB 3.48Å; F274-V278 WeakPolarHBondContact O-CG1 3.35Å; F274-V278 PolarHBondContact O-N 3.48Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 2.84Å; V278-K280 VanDerWaalsContact C-N 3.28Å; V278-K280 PolarHBondContact O-N 3.37Å; V278-N294 HydrophobicContact CG2-CB 4.45Å; V278-N294 WeakPolarHBondContact CG2-OD1 3.47Å; V278-N294 PolarHBondContact O-ND2 3.2Å; V278-A299 HydrophobicContact CG2-CB 3.67Å
279	T	96.3	Very high	97.4	Very high	109 Å²	109	60.3 Å²	60.3	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.3	171.4	67.1	0	0	0	0	113.4	E276 K277	E276-T279 PolarHBondContact O-N 3.28Å; E276-T279 VanDerWaalsContact O-N 3.08Å; E276-T279 PolarHBondContact O-OG1 3.27Å; K277-T279 PolarHBondContact O-N 3.29Å; K277-T279 VanDerWaalsContact O-N 3.13Å
280	K	95.7	Very high	97.4	Very high	147 Å²	147	61 Å²	61	64%	0.639	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-39.2	-171.7	-58.7	179.4	-177.7	178.7	0	112.9	K277 V278	K277-K280 PolarHBondContact O-N 2.85Å; V278-K280 VanDerWaalsContact C-N 3.28Å; V278-K280 PolarHBondContact O-N 3.37Å
281	V	96.4	Very high	97.3	Very high	42 Å²	42	66.2 Å²	66.2	26%	0.255	34%	0.344	S	S	.	.	S	Bend	trans	-122.5	122.6	-176.3	-177.1	0	0	0	0	110	Y230 D231 K277 I285 N294	Y230-V281 HydrophobicContact CE2-CB 4.37Å; Y230-V281 HydrophobicContact CE2-CG1 4.21Å; Y230-V281 PolarHBondContact OH-O 3.49Å; D231-V281 HydrophobicContact CB-CG1 4.12Å; K277-V281 PolarHBondContact O-N 3.31Å; V281-I285 HydrophobicContact CG1-CB 4.42Å; V281-I285 HydrophobicContact CG1-CD1 4.15Å; V281-I285 HydrophobicContact CG1-CG2 3.9Å; V281-N294 PolarHBondContact O-ND2 2.98Å
282	H	97.6	Very high	97.2	Very high	75 Å²	75	64.8 Å²	64.8	35%	0.347	34%	0.344	S	S	.	.			trans	-62	135.4	-179.8	-157.7	-94.2	0	0	0	112.5	S284 I285 Y290 N294	H282-S284 VanDerWaalsContact ND1-CB 3.28Å; H282-S284 WeakPolarHBondContact ND1-CB 3.29Å; H282-S284 PolarHBondContact ND1-N 3.18Å; H282-S284 VanDerWaalsContact ND1-N 3.19Å; H282-S284 PolarHBondContact ND1-OG 3.14Å; H282-S284 PolarHBondContact O-N 3.49Å; H282-I285 VanDerWaalsContact O-CG2 3.28Å; H282-I285 WeakPolarHBondContact O-CG2 3.48Å; H282-I285 PolarHBondContact O-N 2.92Å; H282-I285 VanDerWaalsContact O-N 3.11Å; H282-Y290 AromaticContact CE1-CD1 3.91Å; H282-N294 WeakPolarHBondContact CA-ND2 3.39Å
283	L	98.3	Very high	97.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57.3	-24.7	178.8	-176.1	66.1	0	0	0	112.5	Y230 I285 C286 F287 Y290 N294 A299 Y302 I303	Y230-L283 HydrophobicContact CD2-CD1 3.99Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; L283-I285 PolarHBondContact O-N 3.37Å; L283-I285 VanDerWaalsContact O-N 3.08Å; L283-C286 PolarHBondContact O-N 2.86Å; L283-F287 HydrophobicContact CD1-CD2 3.71Å; L283-F287 HydrophobicContact CD1-CE2 4.02Å; L283-F287 HydrophobicContact CD2-CD2 4.27Å; L283-F287 HydrophobicContact CG-CD2 3.83Å; L283-F287 PolarHBondContact O-N 3.33Å; L283-Y290 HydrophobicContact CB-CD1 3.72Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.48Å; L283-Y290 HydrophobicContact CD2-CD1 3.73Å; L283-Y290 HydrophobicContact CD2-CD2 4.1Å; L283-Y290 HydrophobicContact CD2-CE1 3.86Å; L283-Y290 HydrophobicContact CD2-CE2 4.22Å; L283-Y290 HydrophobicContact CD2-CG 3.81Å; L283-Y290 HydrophobicContact CG-CD1 4.09Å; L283-Y290 HydrophobicContact CG-CE1 4.47Å; L283-Y290 HydrophobicContact CG-CG 4.38Å; L283-N294 WeakPolarHBondContact CB-OD1 3.44Å; L283-N294 PolarHBondContact N-OD1 3.46Å; L283-A299 HydrophobicContact CB-CB 4.4Å; L283-A299 HydrophobicContact CD2-CB 3.85Å; L283-Y302 HydrophobicContact CD2-CD1 3.72Å; L283-Y302 HydrophobicContact CD2-CG 4.23Å; L283-I303 HydrophobicContact CD1-CD1 3.78Å; L283-I303 HydrophobicContact CD1-CG1 4.02Å; L283-I303 HydrophobicContact CD2-CG1 4.4Å
284	S	97.8	Very high	97.1	Very high	43 Å²	43	65.3 Å²	65.3	30%	0.301	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-60.5	-16.8	177.9	63.7	0	0	0	0	114.7	H282 C286 F287 P288	H282-S284 VanDerWaalsContact ND1-CB 3.28Å; H282-S284 WeakPolarHBondContact ND1-CB 3.29Å; H282-S284 PolarHBondContact ND1-N 3.18Å; H282-S284 VanDerWaalsContact ND1-N 3.19Å; H282-S284 PolarHBondContact ND1-OG 3.14Å; H282-S284 PolarHBondContact O-N 3.49Å; S284-C286 PolarHBondContact O-N 3.47Å; S284-F287 VanDerWaalsContact CA-O 3.31Å; S284-F287 WeakPolarHBondContact CA-O 3.35Å; S284-F287 CarbonylContact O-C 3.58Å; S284-P288 WeakPolarHBondContact O-CA 3.49Å
285	I	97	Very high	97.1	Very high	109 Å²	109	68.2 Å²	68.2	56%	0.559	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-61.2	-33.9	170.5	-161.7	171.8	0	0	0	112	Y230 D231 V281 H282 L283	Y230-I285 HydrophobicContact CD2-CG2 3.99Å; Y230-I285 HydrophobicContact CE2-CG2 4.07Å; D231-I285 HydrophobicContact CB-CG2 4.15Å; V281-I285 HydrophobicContact CG1-CB 4.42Å; V281-I285 HydrophobicContact CG1-CD1 4.15Å; V281-I285 HydrophobicContact CG1-CG2 3.9Å; H282-I285 VanDerWaalsContact O-CG2 3.28Å; H282-I285 WeakPolarHBondContact O-CG2 3.48Å; H282-I285 PolarHBondContact O-N 2.92Å; H282-I285 VanDerWaalsContact O-N 3.11Å; L283-I285 PolarHBondContact O-N 3.37Å; L283-I285 VanDerWaalsContact O-N 3.08Å
286	C	98	Very high	97.1	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.014	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-39.5	177.6	-171.4	0	0	0	0	111.3	Y230 H244 L283 S284	Y230-C286 HydrophobicContact CD2-CB 4.33Å; Y230-C286 VanDerWaalsContact O-CB 3.23Å; Y230-C286 WeakPolarHBondContact O-CB 3.22Å; H244-C286 PolarHBondContact NE2-O 3.43Å; L283-C286 PolarHBondContact O-N 2.86Å; S284-C286 PolarHBondContact O-N 3.47Å
287	F	98.2	Very high	97.2	Very high	10 Å²	10	65.6 Å²	65.6	4%	0.044	36%	0.357	C	S	.	.			trans	-125.6	82.6	-175.3	-59.1	-80	0	0	0	110.2	M243 L247 L283 S284 E289 Y290 Y302 I303 Q306	M243-F287 HydrophobicContact CG-CE2 4.02Å; M243-F287 HydrophobicContact CG-CZ 3.71Å; L247-F287 HydrophobicContact CD1-CE1 3.69Å; L247-F287 HydrophobicContact CD1-CZ 3.83Å; L283-F287 HydrophobicContact CD1-CD2 3.71Å; L283-F287 HydrophobicContact CD1-CE2 4.02Å; L283-F287 HydrophobicContact CD2-CD2 4.27Å; L283-F287 HydrophobicContact CG-CD2 3.83Å; L283-F287 PolarHBondContact O-N 3.33Å; S284-F287 VanDerWaalsContact CA-O 3.31Å; S284-F287 WeakPolarHBondContact CA-O 3.35Å; S284-F287 CarbonylContact O-C 3.58Å; F287-E289 PolarHBondContact O-N 3.27Å; F287-Y290 VanDerWaalsContact O-CB 3.24Å; F287-Y290 WeakPolarHBondContact O-CB 3.33Å; F287-Y290 PolarHBondContact O-N 3.35Å; F287-Y302 HydrophobicContact CB-CE1 3.68Å; F287-Y302 AromaticContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD2-CD1 4.38Å; F287-Y302 HydrophobicContact CD2-CE1 4.09Å; F287-Y302 HydrophobicContact CG-CD1 4.37Å; F287-Y302 AromaticContact CG-CE1 3.64Å; F287-Y302 HydrophobicContact CG-CE1 3.64Å; F287-I303 HydrophobicContact CE2-CG1 3.89Å; F287-Q306 HydrophobicContact CD1-CG 4.24Å; F287-Q306 HydrophobicContact CE1-CB 4.39Å; F287-Q306 HydrophobicContact CE1-CG 3.83Å; F287-Q306 HydrophobicContact CZ-CG 4.24Å
288	P	98	Very high	97.3	Very high	104 Å²	104	67.2 Å²	67.2	68%	0.675	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28	-173.9	-29.5	36.5	0	0	0	115.1	S284 Y290	S284-P288 WeakPolarHBondContact O-CA 3.49Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 PolarHBondContact O-N 3.49Å
289	E	97	Very high	97.3	Very high	164 Å²	164	67.2 Å²	67.2	77%	0.766	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.3	176.9	-59.5	-63.6	167.2	0	0	113.9	F287 T291	F287-E289 PolarHBondContact O-N 3.27Å; E289-T291 PolarHBondContact O-N 2.96Å
290	Y	98	Very high	97.4	Very high	17 Å²	17	62 Å²	62	7%	0.067	34%	0.335	C	S	.	.			trans	-77.2	111.9	179.2	-177.9	-104.4	0	0	0	111.5	H282 L283 F287 P288 G292 P293 D298 A299 Y302	H282-Y290 AromaticContact CE1-CD1 3.91Å; L283-Y290 HydrophobicContact CB-CD1 3.72Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.48Å; L283-Y290 HydrophobicContact CD2-CD1 3.73Å; L283-Y290 HydrophobicContact CD2-CD2 4.1Å; L283-Y290 HydrophobicContact CD2-CE1 3.86Å; L283-Y290 HydrophobicContact CD2-CE2 4.22Å; L283-Y290 HydrophobicContact CD2-CG 3.81Å; L283-Y290 HydrophobicContact CG-CD1 4.09Å; L283-Y290 HydrophobicContact CG-CE1 4.47Å; L283-Y290 HydrophobicContact CG-CG 4.38Å; F287-Y290 VanDerWaalsContact O-CB 3.24Å; F287-Y290 WeakPolarHBondContact O-CB 3.33Å; F287-Y290 PolarHBondContact O-N 3.35Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 PolarHBondContact O-N 3.49Å; Y290-G292 VanDerWaalsContact CE1-O 3.26Å; Y290-G292 WeakPolarHBondContact CE1-O 3.34Å; Y290-P293 PolarHBondContact OH-O 2.9Å; Y290-D298 WeakPolarHBondContact OH-CB 3.4Å; Y290-A299 PolarHBondContact OH-N 3.36Å; Y290-Y302 AromaticContact CD2-CD1 3.86Å; Y290-Y302 HydrophobicContact CD2-CD1 3.86Å; Y290-Y302 AromaticContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CE1 4.17Å; Y290-Y302 AromaticContact CD2-CE2 3.68Å; Y290-Y302 HydrophobicContact CD2-CE2 3.68Å; Y290-Y302 AromaticContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CD2-CG 3.41Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CE2-CD1 4.42Å; Y290-Y302 AromaticContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CE2 4.49Å; Y290-Y302 AromaticContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CG-CD1 4.39Å; Y290-Y302 HydrophobicContact CG-CD2 4.47Å; Y290-Y302 HydrophobicContact CG-CE1 4.49Å; Y290-Y302 HydrophobicContact CG-CG 4.36Å
291	T	96.5	Very high	97.6	Very high	137 Å²	137	58.5 Å²	58.5	84%	0.84	32%	0.323	S	S	*	.			trans	-109.6	7.2	178.8	56.3	0	0	0	0	113.2	E289	E289-T291 PolarHBondContact O-N 2.96Å
292	G	96.1	Very high	97.7	Very high	23 Å²	23	59 Å²	59	24%	0.237	32%	0.321	C	S	.	.	S	Bend	trans	-78	173	-178.5	0	0	0	0	0	114	Y290	Y290-G292 VanDerWaalsContact CE1-O 3.26Å; Y290-G292 WeakPolarHBondContact CE1-O 3.34Å
293	P	96.8	Very high	97.7	Very high	76 Å²	76	55.5 Å²	55.5	49%	0.494	31%	0.305	S	S	.	.			trans	-64.8	140.6	176.6	-19.1	32.2	0	0	0	112.3	Y290 T295 D298	Y290-P293 PolarHBondContact OH-O 2.9Å; P293-T295 HydrophobicContact CB-CG2 4.06Å; P293-T295 PolarHBondContact O-N 3.32Å; P293-D298 HydrophobicContact CB-CB 4.42Å; P293-D298 VanDerWaalsContact O-CB 3.26Å; P293-D298 WeakPolarHBondContact O-CB 3.42Å
294	N	95.6	Very high	97.7	Very high	35 Å²	35	58.4 Å²	58.4	19%	0.187	32%	0.317	C	S	.	.			trans	-83.7	46.3	179.3	-143.2	44.3	0	0	0	112.9	V278 V281 H282 L283	V278-N294 HydrophobicContact CG2-CB 4.45Å; V278-N294 WeakPolarHBondContact CG2-OD1 3.47Å; V278-N294 PolarHBondContact O-ND2 3.2Å; V281-N294 PolarHBondContact O-ND2 2.98Å; H282-N294 WeakPolarHBondContact CA-ND2 3.39Å; L283-N294 WeakPolarHBondContact CB-OD1 3.44Å; L283-N294 PolarHBondContact N-OD1 3.46Å
295	T	97.6	Very high	97.8	Very high	62 Å²	62	60 Å²	60	38%	0.38	32%	0.323	S	S	.	.	S	Bend	trans	-87.3	159	173.2	78.6	0	0	0	0	109.9	P293 E297 D298 A299	P293-T295 HydrophobicContact CB-CG2 4.06Å; P293-T295 PolarHBondContact O-N 3.32Å; T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 PolarHBondContact O-N 3.06Å; T295-E297 PolarHBondContact OG1-N 3.13Å; T295-D298 WeakPolarHBondContact OG1-CB 3.49Å; T295-D298 VanDerWaalsContact OG1-CG 3.31Å; T295-D298 PolarHBondContact OG1-N 2.8Å; T295-D298 VanDerWaalsContact OG1-N 3.07Å; T295-D298 PolarHBondContact OG1-OD2 3.1Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 3.17Å
296	F	98.1	Very high	97.8	Very high	49 Å²	49	57.6 Å²	57.6	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-53.6	-43.9	173.7	172.1	-98.9	0	0	0	112.4	K271 F274 Q275 G300 M323	K271-F296 HydrophobicContact CB-CE2 3.83Å; K271-F296 HydrophobicContact CB-CZ 3.96Å; F274-F296 AromaticContact CD1-CD2 3.68Å; F274-F296 HydrophobicContact CD1-CD2 3.68Å; F274-F296 AromaticContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CE1-CD2 4.1Å; Q275-F296 HydrophobicContact CB-CD2 3.71Å; Q275-F296 HydrophobicContact CB-CE2 4.27Å; Q275-F296 HydrophobicContact CB-CG 4.34Å; Q275-F296 HydrophobicContact CG-CB 4.28Å; Q275-F296 HydrophobicContact CG-CD2 4.21Å; Q275-F296 HydrophobicContact CG-CG 4.35Å; F296-G300 WeakPolarHBondContact O-CA 3.4Å; F296-G300 PolarHBondContact O-N 2.86Å; F296-M323 HydrophobicContact CE1-SD 3.77Å; F296-M323 HydrophobicContact CE2-SD 4.4Å; F296-M323 HydrophobicContact CZ-SD 3.49Å; F296-M323 WeakPolarHBondContact CZ-SD 3.26Å
297	E	98	Very high	97.9	Very high	137 Å²	137	57.5 Å²	57.5	64%	0.64	31%	0.308	S	S	*	.	H	α-helix	trans	-70.5	-50.9	-176.6	-64.3	-175.8	177.2	0	0	111.6	T295 N301	T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 PolarHBondContact O-N 3.06Å; T295-E297 PolarHBondContact OG1-N 3.13Å; E297-N301 WeakPolarHBondContact O-CB 3.18Å; E297-N301 PolarHBondContact O-N 3.25Å; E297-N301 PolarHBondContact O-ND2 3.44Å
298	D	98.3	Very high	97.9	Very high	70 Å²	70	58.7 Å²	58.7	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-49.1	-176.4	-66.7	-65.6	0	0	0	111.6	Y290 P293 T295 Y302	Y290-D298 WeakPolarHBondContact OH-CB 3.4Å; P293-D298 HydrophobicContact CB-CB 4.42Å; P293-D298 VanDerWaalsContact O-CB 3.26Å; P293-D298 WeakPolarHBondContact O-CB 3.42Å; T295-D298 WeakPolarHBondContact OG1-CB 3.49Å; T295-D298 VanDerWaalsContact OG1-CG 3.31Å; T295-D298 PolarHBondContact OG1-N 2.8Å; T295-D298 VanDerWaalsContact OG1-N 3.07Å; T295-D298 PolarHBondContact OG1-OD2 3.1Å; D298-Y302 WeakPolarHBondContact O-CB 2.94Å; D298-Y302 PolarHBondContact O-N 3.23Å
299	A	98.5	Very high	97.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.4	-40.4	-179	0	0	0	0	0	111.6	F274 V278 L283 Y290 T295 Y302 I303	F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.76Å; V278-A299 HydrophobicContact CG2-CB 3.67Å; L283-A299 HydrophobicContact CB-CB 4.4Å; L283-A299 HydrophobicContact CD2-CB 3.85Å; Y290-A299 PolarHBondContact OH-N 3.36Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 3.17Å; A299-Y302 PolarHBondContact O-N 2.89Å; A299-I303 WeakPolarHBondContact O-CG1 3.11Å; A299-I303 PolarHBondContact O-N 3Å
300	G	98.5	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-41.7	176.5	0	0	0	0	0	112.4	F296 I303 K304 M323	F296-G300 WeakPolarHBondContact O-CA 3.4Å; F296-G300 PolarHBondContact O-N 2.86Å; G300-I303 PolarHBondContact O-N 2.99Å; G300-K304 WeakPolarHBondContact O-CB 3.24Å; G300-K304 PolarHBondContact O-N 3.39Å; G300-M323 VanDerWaalsContact C-CE 3.49Å
301	N	98.4	Very high	97.9	Very high	73 Å²	73	52 Å²	52	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-67.7	-36.4	174.6	-76.5	-36.5	0	0	0	112.2	E297 K304 N305	E297-N301 WeakPolarHBondContact O-CB 3.18Å; E297-N301 PolarHBondContact O-N 3.25Å; E297-N301 PolarHBondContact O-ND2 3.44Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 2.7Å; N301-N305 VanDerWaalsContact O-CG 3.26Å; N301-N305 PolarHBondContact O-N 2.57Å; N301-N305 PolarHBondContact O-ND2 3.01Å
302	Y	98.7	Very high	97.8	Very high	54 Å²	54	52 Å²	52	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-51.1	173.6	-176.3	-92	0	0	0	111.3	L283 F287 Y290 D298 A299 K304 N305 Q306	L283-Y302 HydrophobicContact CD2-CD1 3.72Å; L283-Y302 HydrophobicContact CD2-CG 4.23Å; F287-Y302 HydrophobicContact CB-CE1 3.68Å; F287-Y302 AromaticContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD2-CD1 4.38Å; F287-Y302 HydrophobicContact CD2-CE1 4.09Å; F287-Y302 HydrophobicContact CG-CD1 4.37Å; F287-Y302 AromaticContact CG-CE1 3.64Å; F287-Y302 HydrophobicContact CG-CE1 3.64Å; Y290-Y302 AromaticContact CD2-CD1 3.86Å; Y290-Y302 HydrophobicContact CD2-CD1 3.86Å; Y290-Y302 AromaticContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CE1 4.17Å; Y290-Y302 AromaticContact CD2-CE2 3.68Å; Y290-Y302 HydrophobicContact CD2-CE2 3.68Å; Y290-Y302 AromaticContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CD2-CG 3.41Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CE2-CD1 4.42Å; Y290-Y302 AromaticContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CE2 4.49Å; Y290-Y302 AromaticContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CG-CD1 4.39Å; Y290-Y302 HydrophobicContact CG-CD2 4.47Å; Y290-Y302 HydrophobicContact CG-CE1 4.49Å; Y290-Y302 HydrophobicContact CG-CG 4.36Å; D298-Y302 WeakPolarHBondContact O-CB 2.94Å; D298-Y302 PolarHBondContact O-N 3.23Å; A299-Y302 PolarHBondContact O-N 2.89Å; Y302-K304 VanDerWaalsContact C-N 3.3Å; Y302-K304 PolarHBondContact O-N 3.02Å; Y302-N305 PolarHBondContact O-N 3.48Å; Y302-N305 VanDerWaalsContact O-N 3.11Å; Y302-Q306 HydrophobicContact CD1-CG 3.96Å; Y302-Q306 HydrophobicContact CE1-CG 3.66Å; Y302-Q306 WeakPolarHBondContact O-CG 3.5Å; Y302-Q306 PolarHBondContact O-N 2.67Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å
303	I	98.7	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-45.4	176.3	-67.1	164.5	0	0	0	110.5	L227 M243 L268 F274 L283 F287 A299 G300 N305 Q306 F307	L227-I303 HydrophobicContact CD2-CB 4.13Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.78Å; M243-I303 HydrophobicContact CE-CD1 4.24Å; M243-I303 HydrophobicContact CE-CG2 3.97Å; M243-I303 HydrophobicContact SD-CG2 3.97Å; L268-I303 HydrophobicContact CD2-CG2 4.34Å; F274-I303 HydrophobicContact CE2-CD1 3.79Å; F274-I303 HydrophobicContact CZ-CD1 3.81Å; L283-I303 HydrophobicContact CD1-CD1 3.78Å; L283-I303 HydrophobicContact CD1-CG1 4.02Å; L283-I303 HydrophobicContact CD2-CG1 4.4Å; F287-I303 HydrophobicContact CE2-CG1 3.89Å; A299-I303 WeakPolarHBondContact O-CG1 3.11Å; A299-I303 PolarHBondContact O-N 3Å; G300-I303 PolarHBondContact O-N 2.99Å; I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 PolarHBondContact O-N 3.43Å; I303-Q306 WeakPolarHBondContact O-CB 3.1Å; I303-Q306 PolarHBondContact O-N 3.31Å; I303-Q306 VanDerWaalsContact O-N 3.14Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.36Å; I303-F307 PolarHBondContact O-N 2.98Å; I303-F307 VanDerWaalsContact O-N 3.14Å
304	K	98.7	Very high	97.3	Very high	61 Å²	61	56.7 Å²	56.7	27%	0.265	28%	0.28	S	S	.	.	H	α-helix	trans	-52.2	-49.6	175.4	173.9	179.2	153.8	170.8	0	111.4	L268 G300 N301 Y302 Q306 F307 L308 S321	L268-K304 HydrophobicContact CD1-CB 3.51Å; L268-K304 HydrophobicContact CD1-CG 3.99Å; G300-K304 WeakPolarHBondContact O-CB 3.24Å; G300-K304 PolarHBondContact O-N 3.39Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 2.7Å; Y302-K304 VanDerWaalsContact C-N 3.3Å; Y302-K304 PolarHBondContact O-N 3.02Å; K304-Q306 VanDerWaalsContact C-N 3.35Å; K304-Q306 PolarHBondContact O-N 3.01Å; K304-F307 PolarHBondContact O-N 3.12Å; K304-L308 HydrophobicContact CD-CD1 4.44Å; K304-L308 HydrophobicContact CG-CD1 3.88Å; K304-L308 HydrophobicContact CG-CG 4.31Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 3.19Å; K304-S321 WeakPolarHBondContact CE-OG 3.43Å; K304-S321 PolarHBondContact NZ-OG 3.26Å
305	N	98.3	Very high	97	Very high	78 Å²	78	64.3 Å²	64.3	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-38.6	-179.9	-68	-18.3	0	0	0	111.8	N301 Y302 I303 F307 L308 D309	N301-N305 VanDerWaalsContact O-CG 3.26Å; N301-N305 PolarHBondContact O-N 2.57Å; N301-N305 PolarHBondContact O-ND2 3.01Å; Y302-N305 PolarHBondContact O-N 3.48Å; Y302-N305 VanDerWaalsContact O-N 3.11Å; I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 PolarHBondContact O-N 3.43Å; N305-F307 PolarHBondContact O-N 3.05Å; N305-L308 PolarHBondContact O-N 3.34Å; N305-L308 VanDerWaalsContact O-N 3.15Å; N305-D309 VanDerWaalsContact O-CB 3.28Å; N305-D309 WeakPolarHBondContact O-CB 3.49Å; N305-D309 PolarHBondContact O-N 2.82Å
306	Q	98.6	Very high	96.5	Very high	57 Å²	57	68.1 Å²	68.1	27%	0.266	33%	0.332	S	S	.	.	H	α-helix	trans	-55.1	-40.2	173.2	-65.6	-61.4	-55.6	0	0	112.1	L247 F287 Y302 I303 K304 L310	L247-Q306 HydrophobicContact CD1-CB 4.47Å; L247-Q306 HydrophobicContact CD2-CB 3.95Å; F287-Q306 HydrophobicContact CD1-CG 4.24Å; F287-Q306 HydrophobicContact CE1-CB 4.39Å; F287-Q306 HydrophobicContact CE1-CG 3.83Å; F287-Q306 HydrophobicContact CZ-CG 4.24Å; Y302-Q306 HydrophobicContact CD1-CG 3.96Å; Y302-Q306 HydrophobicContact CE1-CG 3.66Å; Y302-Q306 WeakPolarHBondContact O-CG 3.5Å; Y302-Q306 PolarHBondContact O-N 2.67Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å; I303-Q306 WeakPolarHBondContact O-CB 3.1Å; I303-Q306 PolarHBondContact O-N 3.31Å; I303-Q306 VanDerWaalsContact O-N 3.14Å; K304-Q306 VanDerWaalsContact C-N 3.35Å; K304-Q306 PolarHBondContact O-N 3.01Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å
307	F	98.7	Very high	96.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-70.9	-49.2	173.9	-80.1	-85.6	0	0	0	112.4	F223 A225 M243 L247 F250 L266 L268 I303 K304 N305 D309 L310	F223-F307 HydrophobicContact CE1-CE1 4.17Å; A225-F307 HydrophobicContact CB-CE1 4.01Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.56Å; M243-F307 HydrophobicContact SD-CE2 3.6Å; M243-F307 HydrophobicContact SD-CZ 3.85Å; L247-F307 HydrophobicContact CD2-CB 4.45Å; L247-F307 HydrophobicContact CD2-CD1 3.8Å; L247-F307 HydrophobicContact CD2-CD2 3.73Å; L247-F307 HydrophobicContact CD2-CE1 3.84Å; L247-F307 HydrophobicContact CD2-CE2 3.77Å; L247-F307 HydrophobicContact CD2-CG 3.73Å; L247-F307 HydrophobicContact CD2-CZ 3.81Å; L247-F307 HydrophobicContact CG-CE1 4.26Å; L247-F307 HydrophobicContact CG-CE2 4.23Å; L247-F307 HydrophobicContact CG-CZ 4Å; F250-F307 HydrophobicContact CB-CD1 3.64Å; F250-F307 HydrophobicContact CB-CE1 3.7Å; F250-F307 HydrophobicContact CD1-CB 4.28Å; F250-F307 AromaticContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CG 4.47Å; F250-F307 HydrophobicContact CD2-CD1 4.19Å; F250-F307 HydrophobicContact CE1-CB 4.23Å; F250-F307 HydrophobicContact CE1-CD1 4.31Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CE1 4.11Å; L266-F307 HydrophobicContact CD1-CD1 4.05Å; L266-F307 HydrophobicContact CD1-CG 4.24Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.42Å; L266-F307 HydrophobicContact CD2-CD2 4.39Å; L266-F307 HydrophobicContact CD2-CG 3.85Å; L268-F307 HydrophobicContact CD2-CD2 3.93Å; L268-F307 HydrophobicContact CD2-CE2 4.11Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.36Å; I303-F307 PolarHBondContact O-N 2.98Å; I303-F307 VanDerWaalsContact O-N 3.14Å; K304-F307 PolarHBondContact O-N 3.12Å; N305-F307 PolarHBondContact O-N 3.05Å; F307-D309 PolarHBondContact O-N 3.45Å; F307-L310 WeakPolarHBondContact O-CB 3.45Å; F307-L310 PolarHBondContact O-N 3.31Å; F307-L310 VanDerWaalsContact O-N 3.11Å
308	L	98.2	Very high	95.8	Very high	35 Å²	35	66.1 Å²	66.1	18%	0.183	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-30.2	-176.5	-65.4	-179.2	0	0	0	112.6	K304 N305 L310 N311 K314 I319	K304-L308 HydrophobicContact CD-CD1 4.44Å; K304-L308 HydrophobicContact CG-CD1 3.88Å; K304-L308 HydrophobicContact CG-CG 4.31Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 3.19Å; N305-L308 PolarHBondContact O-N 3.34Å; N305-L308 VanDerWaalsContact O-N 3.15Å; L308-L310 PolarHBondContact O-N 2.55Å; L308-N311 WeakPolarHBondContact O-CB 3.23Å; L308-N311 PolarHBondContact O-N 2.91Å; L308-K314 WeakPolarHBondContact O-CE 3.48Å; L308-I319 HydrophobicContact CD2-CB 3.86Å; L308-I319 HydrophobicContact CD2-CG2 3.79Å; L308-I319 WeakPolarHBondContact CD2-O 3.43Å
309	D	97.8	Very high	95.7	Very high	93 Å²	93	63.4 Å²	63.4	50%	0.497	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.6	177	-72.1	-23.3	0	0	0	114.1	N305 F307 N311 K314	N305-D309 VanDerWaalsContact O-CB 3.28Å; N305-D309 WeakPolarHBondContact O-CB 3.49Å; N305-D309 PolarHBondContact O-N 2.82Å; F307-D309 PolarHBondContact O-N 3.45Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.41Å; D309-K314 IonicContact OD1-NZ 2.91Å; D309-K314 PolarHBondContact OD1-NZ 2.93Å
310	L	98	Very high	95.5	Very high	42 Å²	42	65.4 Å²	65.4	22%	0.22	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.1	173.6	-63.5	168.6	0	0	0	113.2	L247 F250 N251 N255 Q306 F307 L308 L312	L247-L310 HydrophobicContact CB-CD1 4.09Å; L247-L310 HydrophobicContact CD2-CD1 3.71Å; L247-L310 VanDerWaalsContact O-CD1 3.32Å; L247-L310 WeakPolarHBondContact O-CD1 3.15Å; F250-L310 HydrophobicContact CD1-CB 4.21Å; F250-L310 HydrophobicContact CD1-CD1 4.03Å; N251-L310 HydrophobicContact CB-CB 4.27Å; N251-L310 HydrophobicContact CB-CD1 4.07Å; N251-L310 HydrophobicContact CB-CD2 4.09Å; N251-L310 HydrophobicContact CB-CG 4.37Å; N255-L310 PolarHBondContact ND2-O 3.46Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å; F307-L310 WeakPolarHBondContact O-CB 3.45Å; F307-L310 PolarHBondContact O-N 3.31Å; F307-L310 VanDerWaalsContact O-N 3.11Å; L308-L310 PolarHBondContact O-N 2.55Å; L310-L312 PolarHBondContact O-N 3.43Å
311	N	97.3	Very high	95.5	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.048	32%	0.324	C	S	.	.			trans	-70.4	111.8	174.9	-178.2	12.1	0	0	0	109.8	L308 D309 K313 K314 K317 I319	L308-N311 WeakPolarHBondContact O-CB 3.23Å; L308-N311 PolarHBondContact O-N 2.91Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.41Å; N311-K313 VanDerWaalsContact C-N 3.27Å; N311-K313 PolarHBondContact O-N 3.06Å; N311-K313 PolarHBondContact OD1-N 3.49Å; N311-K313 VanDerWaalsContact OD1-N 3.07Å; N311-K314 HydrophobicContact CB-CG 4.14Å; N311-K314 VanDerWaalsContact O-CG 3.25Å; N311-K314 WeakPolarHBondContact O-CG 3.41Å; N311-K317 PolarHBondContact ND2-O 3Å; N311-I319 HydrophobicContact CB-CD1 3.73Å; N311-I319 HydrophobicContact CB-CG1 4.44Å
312	L	95.2	Very high	95.4	Very high	137 Å²	137	65 Å²	65	72%	0.717	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-10.8	-179.7	-59.5	178	0	0	0	113	N255 L310	N255-L312 HydrophobicContact CB-CD1 4.42Å; N255-L312 WeakPolarHBondContact OD1-CB 3.42Å; N255-L312 WeakPolarHBondContact OD1-CG 3.43Å; N255-L312 PolarHBondContact OD1-N 3.34Å; L310-L312 PolarHBondContact O-N 3.43Å
313	K	91.7	Very high	95.4	Very high	86 Å²	86	64.5 Å²	64.5	37%	0.374	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	42.9	-175.3	-60	-177	179.3	-177.5	0	111.7	N311 E315 D316 K317	N311-K313 VanDerWaalsContact C-N 3.27Å; N311-K313 PolarHBondContact O-N 3.06Å; N311-K313 PolarHBondContact OD1-N 3.49Å; N311-K313 VanDerWaalsContact OD1-N 3.07Å; K313-E315 PolarHBondContact O-N 2.93Å; K313-E315 VanDerWaalsContact O-N 3.1Å; K313-D316 HydrophobicContact CB-CB 4.39Å; K313-D316 PolarHBondContact O-N 3Å; K313-K317 PolarHBondContact O-N 2.77Å
314	K	90.5	Very high	95.4	Very high	113 Å²	113	64.5 Å²	64.5	49%	0.491	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.9	-176.2	-64.8	-178.2	174.6	178.3	0	113.7	L308 D309 N311	L308-K314 WeakPolarHBondContact O-CE 3.48Å; D309-K314 IonicContact OD1-NZ 2.91Å; D309-K314 PolarHBondContact OD1-NZ 2.93Å; N311-K314 HydrophobicContact CB-CG 4.14Å; N311-K314 VanDerWaalsContact O-CG 3.25Å; N311-K314 WeakPolarHBondContact O-CG 3.41Å
315	E	89.1	Confident	95.3	Very high	194 Å²	194	62 Å²	62	91%	0.907	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-32.7	179	-62.2	-178.3	179.1	0	0	112.7	K313	K313-E315 PolarHBondContact O-N 2.93Å; K313-E315 VanDerWaalsContact O-N 3.1Å
316	D	88	Confident	95.3	Very high	142 Å²	142	58.6 Å²	58.6	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-25.6	-176.1	-56.7	-45.4	0	0	0	112.9	K313	K313-D316 HydrophobicContact CB-CB 4.39Å; K313-D316 PolarHBondContact O-N 3Å
317	K	89	Confident	95.3	Very high	17 Å²	17	57.1 Å²	57.1	7%	0.074	28%	0.283	C	S	.	.			trans	-144	107.3	-167.5	-177	177.6	-179.7	173.3	0	110.9	F259 T262 N311 K313	F259-K317 PolarHBondContact O-NZ 3.11Å; T262-K317 WeakPolarHBondContact O-CE 3.26Å; T262-K317 PolarHBondContact O-NZ 2.91Å; N311-K317 PolarHBondContact ND2-O 3Å; K313-K317 PolarHBondContact O-N 2.77Å
318	E	91.8	Very high	95.2	Very high	128 Å²	128	60.3 Å²	60.3	60%	0.598	30%	0.299	S	S	*	.			trans	-76.8	141.7	171.8	-171	169.6	-171	0	0	110.7	Y320	E318-Y320 HydrophobicContact CG-CE1 4.43Å
319	I	95.8	Very high	95.2	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.062	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.1	171.7	-61.6	-174.1	0	0	0	107.9	F250 C254 I264 L266 L308 N311	F250-I319 HydrophobicContact CE1-CD1 4.08Å; F250-I319 HydrophobicContact CZ-CD1 3.61Å; F250-I319 HydrophobicContact CZ-CG2 4.07Å; C254-I319 HydrophobicContact CB-CD1 3.85Å; I264-I319 HydrophobicContact CB-CG1 4.37Å; I264-I319 HydrophobicContact CG2-CG2 4.23Å; L266-I319 HydrophobicContact CB-CG2 4.14Å; L308-I319 HydrophobicContact CD2-CB 3.86Å; L308-I319 HydrophobicContact CD2-CG2 3.79Å; L308-I319 WeakPolarHBondContact CD2-O 3.43Å; N311-I319 HydrophobicContact CB-CD1 3.73Å; N311-I319 HydrophobicContact CB-CG1 4.44Å
320	Y	95	Very high	95.2	Very high	43 Å²	43	62.3 Å²	62.3	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.2	176.1	-54.8	-88.7	0	0	0	109.4	I264 V265 L266 E318 I342 E346	I264-Y320 PolarHBondContact O-N 2.79Å; V265-Y320 CarbonylContact C-O 3.44Å; V265-Y320 WeakPolarHBondContact CA-O 3.49Å; L266-Y320 PolarHBondContact N-O 3.11Å; E318-Y320 HydrophobicContact CG-CE1 4.43Å; Y320-I342 HydrophobicContact CD1-CD1 3.53Å; Y320-I342 HydrophobicContact CD1-CG1 4.15Å; Y320-I342 HydrophobicContact CD2-CD1 4.03Å; Y320-I342 HydrophobicContact CD2-CG2 3.7Å; Y320-I342 HydrophobicContact CE1-CD1 3.97Å; Y320-I342 HydrophobicContact CE1-CG1 4.06Å; Y320-I342 HydrophobicContact CE1-CG2 4.3Å; Y320-I342 HydrophobicContact CE2-CD1 4.43Å; Y320-I342 HydrophobicContact CE2-CG1 4.49Å; Y320-I342 HydrophobicContact CE2-CG2 3.31Å; Y320-I342 HydrophobicContact CG-CD1 3.54Å; Y320-I342 HydrophobicContact CG-CG1 4.38Å; Y320-I342 HydrophobicContact CG-CG2 4.34Å; Y320-E346 WeakPolarHBondContact CE2-OE1 3.19Å; Y320-E346 PolarHBondContact OH-OE1 2.94Å
321	S	97.4	Very high	95.2	Very high	23 Å²	23	61.2 Å²	61.2	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.9	-177.1	53.7	0	0	0	0	111.9	L266 K304	L266-S321 VanDerWaalsContact O-CA 3.31Å; L266-S321 WeakPolarHBondContact O-CA 3.41Å; K304-S321 WeakPolarHBondContact CE-OG 3.43Å; K304-S321 PolarHBondContact NZ-OG 3.26Å
322	H	97.7	Very high	95.3	Very high	40 Å²	40	61 Å²	61	19%	0.185	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.9	179.3	-63.4	-86.5	0	0	0	110.6	L266 F267 L268 T324 V335	L266-H322 PolarHBondContact O-N 3.37Å; F267-H322 HydrophobicContact CD1-CB 4.43Å; L268-H322 PolarHBondContact N-O 2.6Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.1Å
323	M	97.7	Very high	95.3	Very high	45 Å²	45	59.9 Å²	59.9	22%	0.222	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.8	166.7	-65.7	-177.2	-179.7	0	0	109.1	L268 K271 F296 G300	L268-M323 HydrophobicContact CB-CG 4.37Å; L268-M323 CarbonylContact O-C 3.6Å; L268-M323 WeakPolarHBondContact O-CA 3.22Å; K271-M323 HydrophobicContact CB-CB 4.48Å; K271-M323 HydrophobicContact CD-CB 4.22Å; F296-M323 HydrophobicContact CE1-SD 3.77Å; F296-M323 HydrophobicContact CE2-SD 4.4Å; F296-M323 HydrophobicContact CZ-SD 3.49Å; F296-M323 WeakPolarHBondContact CZ-SD 3.26Å; G300-M323 VanDerWaalsContact C-CE 3.49Å
324	T	98.3	Very high	95.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.			trans	-124.8	152.8	-170.8	48.8	0	0	0	0	112.6	F267 L268 N269 K270 K271 H322 N331 V335	F267-T324 HydrophobicContact CB-CG2 4.41Å; F267-T324 HydrophobicContact CD1-CG2 4.25Å; F267-T324 HydrophobicContact CD2-CG2 4.08Å; F267-T324 HydrophobicContact CE2-CG2 4.43Å; F267-T324 HydrophobicContact CG-CG2 4Å; L268-T324 PolarHBondContact O-N 3.07Å; N269-T324 CarbonylContact C-O 3.54Å; N269-T324 VanDerWaalsContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.36Å; N269-T324 WeakPolarHBondContact CA-OG1 3.49Å; N269-T324 WeakPolarHBondContact CB-OG1 3.41Å; N269-T324 PolarHBondContact OD1-O 3.35Å; N269-T324 PolarHBondContact OD1-OG1 3.14Å; K270-T324 PolarHBondContact N-O 2.93Å; K271-T324 WeakPolarHBondContact CG-O 3.32Å; K271-T324 PolarHBondContact N-O 3.35Å; K271-T324 VanDerWaalsContact N-O 3.1Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; T324-V335 HydrophobicContact CG2-CB 4.25Å; T324-V335 HydrophobicContact CG2-CG1 3.92Å; T324-V335 HydrophobicContact CG2-CG2 4.02Å
325	C	98.1	Very high	95.8	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.061	28%	0.28	C	S	.	.			trans	-124.7	102.4	162	175.9	0	0	0	0	106.9	K271 D272 T327 D328 N331	K271-C325 HydrophobicContact CG-CB 4.14Å; D272-C325 VanDerWaalsContact CG-SG 3.57Å; C325-T327 PolarHBondContact O-N 2.74Å; C325-T327 VanDerWaalsContact O-N 3.16Å; C325-T327 PolarHBondContact SG-OG1 3.46Å; C325-D328 HydrophobicContact CB-CB 3.93Å; C325-D328 WeakPolarHBondContact O-CB 3.3Å; C325-D328 PolarHBondContact O-N 2.88Å; C325-N331 PolarHBondContact N-OD1 2.91Å
326	A	97.9	Very high	96	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.9	-173.9	0	0	0	0	0	113.6	T48 I49 Q52 N269 D328	T48-A326 HydrophobicContact CG2-CB 3.67Å; T48-A326 WeakPolarHBondContact CG2-O 3.33Å; I49-A326 HydrophobicContact CD1-CB 3.68Å; I49-A326 HydrophobicContact CG1-CB 4.23Å; Q52-A326 VanDerWaalsContact CG-O 3.23Å; Q52-A326 WeakPolarHBondContact CG-O 3.26Å; Q52-A326 PolarHBondContact NE2-O 2.83Å; N269-A326 PolarHBondContact OD1-N 3.2Å; A326-D328 VanDerWaalsContact C-N 3.34Å
327	T	97.4	Very high	96.4	Very high	27 Å²	27	44.4 Å²	44.4	17%	0.166	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.2	175.1	52.6	0	0	0	0	113	T48 Q172 L175 C325	T48-T327 HydrophobicContact CG2-CG2 4.14Å; Q172-T327 PolarHBondContact NE2-O 2.74Å; Q172-T327 PolarHBondContact OE1-O 3.22Å; L175-T327 HydrophobicContact CB-CG2 4.28Å; C325-T327 PolarHBondContact O-N 2.74Å; C325-T327 VanDerWaalsContact O-N 3.16Å; C325-T327 PolarHBondContact SG-OG1 3.46Å
328	D	98.1	Very high	96.6	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	22%	0.224	S	C	.	.			trans	-99.6	103.9	172.1	176	-9.7	0	0	0	109.9	C325 A326 Q330 N331 V332	C325-D328 HydrophobicContact CB-CB 3.93Å; C325-D328 WeakPolarHBondContact O-CB 3.3Å; C325-D328 PolarHBondContact O-N 2.88Å; A326-D328 VanDerWaalsContact C-N 3.34Å; D328-Q330 VanDerWaalsContact C-N 3.28Å; D328-Q330 PolarHBondContact O-N 2.54Å; D328-Q330 PolarHBondContact OD1-N 3.38Å; D328-N331 HydrophobicContact CB-CB 3.87Å; D328-N331 VanDerWaalsContact CG-CB 3.48Å; D328-N331 PolarHBondContact O-N 2.69Å; D328-N331 PolarHBondContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.23Å; D328-V332 WeakPolarHBondContact O-CG2 3.23Å; D328-V332 PolarHBondContact O-N 2.91Å
329	T	98	Very high	96.6	Very high	37 Å²	37	38.8 Å²	38.8	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-34.8	-177.9	-51.5	0	0	0	0	113	Q52 I55 I56 K333	Q52-T329 PolarHBondContact NE2-OG1 3.13Å; Q52-T329 PolarHBondContact OE1-OG1 3.08Å; I55-T329 HydrophobicContact CG2-CG2 4.04Å; I56-T329 HydrophobicContact CD1-CG2 4.32Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; T329-K333 VanDerWaalsContact O-CB 3.23Å; T329-K333 WeakPolarHBondContact O-CB 3.46Å; T329-K333 PolarHBondContact O-N 2.95Å
330	Q	97.8	Very high	96.5	Very high	133 Å²	133	38.2 Å²	38.2	62%	0.621	19%	0.192	S	C	*	.	H	α-helix	trans	-72.3	-42.2	179	-64.6	-58.8	-30.1	0	0	110.8	D328 K333 F334	D328-Q330 VanDerWaalsContact C-N 3.28Å; D328-Q330 PolarHBondContact O-N 2.54Å; D328-Q330 PolarHBondContact OD1-N 3.38Å; Q330-K333 PolarHBondContact O-N 3.41Å; Q330-F334 WeakPolarHBondContact O-CB 3.27Å; Q330-F334 PolarHBondContact O-N 2.99Å
331	N	97.9	Very high	96.3	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-46.2	175.1	178.8	-108.5	0	0	0	111.8	K271 T324 C325 D328 F334 V335	K271-N331 PolarHBondContact NZ-ND2 3.03Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; C325-N331 PolarHBondContact N-OD1 2.91Å; D328-N331 HydrophobicContact CB-CB 3.87Å; D328-N331 VanDerWaalsContact CG-CB 3.48Å; D328-N331 PolarHBondContact O-N 2.69Å; D328-N331 PolarHBondContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.23Å; N331-F334 PolarHBondContact O-N 3.38Å; N331-V335 WeakPolarHBondContact O-CB 3.43Å; N331-V335 WeakPolarHBondContact O-CG2 3.41Å; N331-V335 PolarHBondContact O-N 2.92Å
332	V	97.9	Very high	95.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-41.8	179	176.1	0	0	0	0	111.4	I49 Q52 M53 I56 D328 F334 V335 F336	I49-V332 HydrophobicContact CD1-CG1 4.13Å; I49-V332 HydrophobicContact CD1-CG2 3.84Å; Q52-V332 HydrophobicContact CB-CB 4.34Å; Q52-V332 HydrophobicContact CB-CG1 3.72Å; Q52-V332 HydrophobicContact CG-CB 4.23Å; Q52-V332 HydrophobicContact CG-CG1 4.09Å; Q52-V332 HydrophobicContact CG-CG2 4.1Å; M53-V332 HydrophobicContact CE-CG1 3.81Å; I56-V332 HydrophobicContact CD1-CB 4.3Å; I56-V332 HydrophobicContact CD1-CG1 3.98Å; D328-V332 WeakPolarHBondContact O-CG2 3.23Å; D328-V332 PolarHBondContact O-N 2.91Å; V332-F334 PolarHBondContact O-N 2.78Å; V332-V335 PolarHBondContact O-N 3.42Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 3Å
333	K	96.7	Very high	95.3	Very high	115 Å²	115	38 Å²	38	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-58.3	-48.5	175.6	-176.4	177.9	179.2	-179.6	0	111.8	I56 T329 Q330 D337	I56-K333 HydrophobicContact CD1-CB 3.96Å; I56-K333 HydrophobicContact CG1-CB 4.49Å; I56-K333 HydrophobicContact CG2-CB 4.42Å; I56-K333 HydrophobicContact CG2-CD 4.36Å; I56-K333 HydrophobicContact CG2-CG 4.08Å; T329-K333 VanDerWaalsContact O-CB 3.23Å; T329-K333 WeakPolarHBondContact O-CB 3.46Å; T329-K333 PolarHBondContact O-N 2.95Å; Q330-K333 PolarHBondContact O-N 3.41Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.27Å
334	F	96.4	Very high	94.8	Very high	146 Å²	146	38.2 Å²	38.2	64%	0.64	20%	0.195	S	C	*	.	H	α-helix	trans	-62.5	-47.7	179	174.8	-97.6	0	0	0	112.3	Q330 N331 V332 D337 A338	Q330-F334 WeakPolarHBondContact O-CB 3.27Å; Q330-F334 PolarHBondContact O-N 2.99Å; N331-F334 PolarHBondContact O-N 3.38Å; V332-F334 PolarHBondContact O-N 2.78Å; F334-D337 PolarHBondContact O-N 2.94Å; F334-A338 PolarHBondContact O-N 2.62Å
335	V	95.2	Very high	94.2	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40.9	-178.4	172.6	0	0	0	0	111	F267 H322 T324 N331 V332 D337 A338 V339	F267-V335 HydrophobicContact CD1-CG1 4.23Å; F267-V335 HydrophobicContact CE1-CG1 3.4Å; F267-V335 VanDerWaalsContact CE1-CG1 3.4Å; F267-V335 HydrophobicContact CE2-CG1 4.4Å; F267-V335 HydrophobicContact CZ-CG1 3.52Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.1Å; T324-V335 HydrophobicContact CG2-CB 4.25Å; T324-V335 HydrophobicContact CG2-CG1 3.92Å; T324-V335 HydrophobicContact CG2-CG2 4.02Å; N331-V335 WeakPolarHBondContact O-CB 3.43Å; N331-V335 WeakPolarHBondContact O-CG2 3.41Å; N331-V335 PolarHBondContact O-N 2.92Å; V332-V335 PolarHBondContact O-N 3.42Å; V335-D337 VanDerWaalsContact C-N 3.32Å; V335-D337 PolarHBondContact O-N 2.96Å; V335-A338 PolarHBondContact O-N 2.9Å; V335-V339 HydrophobicContact CG1-CG2 4.44Å; V335-V339 WeakPolarHBondContact O-CG2 3.42Å; V335-V339 PolarHBondContact O-N 3.18Å
336	F	94.8	Very high	93.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-33.3	179.3	-167	-95.6	0	0	0	112.7	L36 M53 H57 F189 F191 F196 M198 I222 V332 V339 T340	L36-F336 HydrophobicContact CD1-CE2 3.63Å; L36-F336 HydrophobicContact CD1-CZ 3.67Å; M53-F336 HydrophobicContact CE-CB 4.27Å; M53-F336 HydrophobicContact CE-CD1 4.38Å; M53-F336 HydrophobicContact CE-CD2 4.03Å; M53-F336 HydrophobicContact CE-CG 3.95Å; M53-F336 HydrophobicContact SD-CD1 3.97Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 3.9Å; M53-F336 HydrophobicContact SD-CE2 3.72Å; M53-F336 HydrophobicContact SD-CG 3.93Å; M53-F336 HydrophobicContact SD-CZ 3.78Å; H57-F336 AromaticContact NE2-CD1 3.85Å; F189-F336 AromaticContact CE2-CE1 3.79Å; F189-F336 HydrophobicContact CE2-CE1 3.79Å; F189-F336 AromaticContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CE1 4.07Å; F189-F336 HydrophobicContact CZ-CE2 4.37Å; F189-F336 AromaticContact CZ-CZ 3.6Å; F189-F336 HydrophobicContact CZ-CZ 3.6Å; F191-F336 HydrophobicContact CD1-CD1 4.34Å; F191-F336 HydrophobicContact CD1-CE1 4.09Å; F191-F336 HydrophobicContact CE1-CD1 4.43Å; F196-F336 HydrophobicContact CD1-CZ 4.17Å; F196-F336 HydrophobicContact CE1-CE1 4.49Å; F196-F336 HydrophobicContact CE1-CZ 4.05Å; F196-F336 HydrophobicContact CZ-CE1 4.46Å; F196-F336 HydrophobicContact CZ-CZ 4.46Å; M198-F336 HydrophobicContact CE-CE2 3.8Å; M198-F336 HydrophobicContact CE-CZ 4.34Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 3Å; F336-V339 PolarHBondContact O-N 2.74Å; F336-T340 WeakPolarHBondContact O-CB 3.41Å; F336-T340 PolarHBondContact O-N 2.98Å; F336-T340 PolarHBondContact O-OG1 3.07Å
337	D	94.9	Very high	92.3	Very high	58 Å²	58	47 Å²	47	31%	0.31	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-47.4	172.3	-166.6	38.7	0	0	0	111.5	F191 K192 K333 F334 V335 V339 T340 D341	F191-D337 VanDerWaalsContact CZ-OD1 3.29Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.08Å; K192-D337 WeakPolarHBondContact CE-OD1 3.35Å; K192-D337 IonicContact NZ-OD1 2.59Å; K192-D337 PolarHBondContact NZ-OD1 3.09Å; K192-D337 IonicContact NZ-OD2 2.8Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.27Å; F334-D337 PolarHBondContact O-N 2.94Å; V335-D337 VanDerWaalsContact C-N 3.32Å; V335-D337 PolarHBondContact O-N 2.96Å; D337-V339 PolarHBondContact O-N 3.46Å; D337-T340 WeakPolarHBondContact O-CB 3.39Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 VanDerWaalsContact O-N 3.14Å; D337-D341 PolarHBondContact O-N 2.94Å
338	A	93.1	Very high	91.2	Very high	28 Å²	28	49.1 Å²	49.1	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-40.9	175.7	0	0	0	0	0	112.7	F334 V335 T340 D341 I342	F334-A338 PolarHBondContact O-N 2.62Å; V335-A338 PolarHBondContact O-N 2.9Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.86Å; A338-D341 PolarHBondContact O-N 3.43Å; A338-I342 WeakPolarHBondContact O-CD1 3.35Å; A338-I342 WeakPolarHBondContact O-CG1 3.24Å; A338-I342 PolarHBondContact O-N 3.46Å; A338-I342 VanDerWaalsContact O-N 3.11Å
339	V	92.3	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-41.4	173.9	169.6	0	0	0	0	111.4	V265 F267 V335 F336 D337 D341 I342 I343	V265-V339 HydrophobicContact CB-CG2 4.3Å; V265-V339 HydrophobicContact CG1-CG2 3.73Å; V265-V339 HydrophobicContact CG2-CG1 4.03Å; V265-V339 HydrophobicContact CG2-CG2 4Å; F267-V339 HydrophobicContact CE1-CG2 3.91Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å; V335-V339 HydrophobicContact CG1-CG2 4.44Å; V335-V339 WeakPolarHBondContact O-CG2 3.42Å; V335-V339 PolarHBondContact O-N 3.18Å; F336-V339 PolarHBondContact O-N 2.74Å; D337-V339 PolarHBondContact O-N 3.46Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.23Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.3Å; V339-I343 HydrophobicContact CG1-CD1 3.79Å; V339-I343 HydrophobicContact CG1-CG1 4.44Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.37Å
340	T	93.4	Very high	88.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-41.2	178.2	-60.2	0	0	0	0	111.3	F191 K192 L194 F196 F336 D337 A338 I342 I343 I344	F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 HydrophobicContact CE1-CG2 3.85Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.31Å; K192-T340 HydrophobicContact CD-CG2 3.96Å; L194-T340 HydrophobicContact CD1-CG2 4.33Å; F196-T340 HydrophobicContact CZ-CG2 3.88Å; F336-T340 WeakPolarHBondContact O-CB 3.41Å; F336-T340 PolarHBondContact O-N 2.98Å; F336-T340 PolarHBondContact O-OG1 3.07Å; D337-T340 WeakPolarHBondContact O-CB 3.39Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 VanDerWaalsContact O-N 3.14Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.86Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.23Å; T340-I343 PolarHBondContact O-N 2.88Å; T340-I344 HydrophobicContact CG2-CD1 3.77Å; T340-I344 HydrophobicContact CG2-CG1 4.36Å; T340-I344 VanDerWaalsContact O-CG1 3.31Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.19Å
341	D	91.2	Very high	86.7	Confident	78 Å²	78	54.2 Å²	54.2	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-37.1	177.1	-71.4	-19.6	0	0	0	112.5	K192 D337 A338 V339 K345	K192-D341 IonicContact NZ-OD1 2.63Å; K192-D341 PolarHBondContact NZ-OD1 3.11Å; K192-D341 IonicContact NZ-OD2 2.9Å; K192-D341 PolarHBondContact NZ-OD2 2.85Å; D337-D341 PolarHBondContact O-N 2.94Å; A338-D341 PolarHBondContact O-N 3.43Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.23Å; D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 2.73Å
342	I	87	Confident	84.5	Confident	23 Å²	23	56.3 Å²	56.3	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-49.1	172.5	-69.6	159	0	0	0	110.6	Y320 A338 V339 T340 I344 K345 E346	Y320-I342 HydrophobicContact CD1-CD1 3.53Å; Y320-I342 HydrophobicContact CD1-CG1 4.15Å; Y320-I342 HydrophobicContact CD2-CD1 4.03Å; Y320-I342 HydrophobicContact CD2-CG2 3.7Å; Y320-I342 HydrophobicContact CE1-CD1 3.97Å; Y320-I342 HydrophobicContact CE1-CG1 4.06Å; Y320-I342 HydrophobicContact CE1-CG2 4.3Å; Y320-I342 HydrophobicContact CE2-CD1 4.43Å; Y320-I342 HydrophobicContact CE2-CG1 4.49Å; Y320-I342 HydrophobicContact CE2-CG2 3.31Å; Y320-I342 HydrophobicContact CG-CD1 3.54Å; Y320-I342 HydrophobicContact CG-CG1 4.38Å; Y320-I342 HydrophobicContact CG-CG2 4.34Å; A338-I342 WeakPolarHBondContact O-CD1 3.35Å; A338-I342 WeakPolarHBondContact O-CG1 3.24Å; A338-I342 PolarHBondContact O-N 3.46Å; A338-I342 VanDerWaalsContact O-N 3.11Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.3Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.23Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.11Å; I342-K345 PolarHBondContact O-N 3.4Å; I342-E346 PolarHBondContact O-N 3.17Å
343	I	87.8	Confident	82.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-45.1	-179.8	-68.7	166.2	0	0	0	110.8	V34 L36 T219 C220 V339 T340 K345 E346 N347	V34-I343 HydrophobicContact CG1-CD1 4.29Å; V34-I343 HydrophobicContact CG1-CG2 4.04Å; V34-I343 HydrophobicContact CG2-CG2 4.17Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å; T219-I343 HydrophobicContact CG2-CG2 3.93Å; C220-I343 HydrophobicContact CB-CD1 3.7Å; C220-I343 HydrophobicContact CB-CG1 3.86Å; V339-I343 HydrophobicContact CG1-CD1 3.79Å; V339-I343 HydrophobicContact CG1-CG1 4.44Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.37Å; T340-I343 PolarHBondContact O-N 2.88Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.5Å; I343-E346 PolarHBondContact O-N 2.96Å; I343-N347 WeakPolarHBondContact O-CB 3.35Å; I343-N347 PolarHBondContact O-N 2.76Å; I343-N347 PolarHBondContact O-ND2 3.05Å
344	I	87.7	Confident	79.6	Confident	48 Å²	48	66.9 Å²	66.9	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-46.2	177.4	-71.1	167.3	0	0	0	110.2	K192 L194 T340 I342 E346 N347 L348	K192-I344 HydrophobicContact CD-CD1 4.29Å; L194-I344 HydrophobicContact CD1-CD1 3.93Å; L194-I344 HydrophobicContact CD1-CG1 3.66Å; T340-I344 HydrophobicContact CG2-CD1 3.77Å; T340-I344 HydrophobicContact CG2-CG1 4.36Å; T340-I344 VanDerWaalsContact O-CG1 3.31Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.19Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.11Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.37Å; I344-N347 PolarHBondContact O-N 3.44Å; I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.83Å
345	K	84.7	Confident	78.7	Confident	104 Å²	104	62.9 Å²	62.9	45%	0.452	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-41.4	179.3	-176.2	-176.8	179	-174.2	0	112.1	D341 I342 I343 K349	D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 2.73Å; I342-K345 PolarHBondContact O-N 3.4Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.5Å; K345-K349 WeakPolarHBondContact O-CG 3.35Å; K345-K349 PolarHBondContact O-N 3.46Å
346	E	80.7	Confident	77.9	Confident	40 Å²	40	66.1 Å²	66.1	19%	0.187	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-43.2	179.1	-71.2	-176.8	-176.5	0	0	112	S263 Y320 I342 I343 I344 L348 K349 D350	S263-E346 WeakPolarHBondContact CB-OE2 3.26Å; S263-E346 PolarHBondContact OG-OE2 3.27Å; Y320-E346 WeakPolarHBondContact CE2-OE1 3.19Å; Y320-E346 PolarHBondContact OH-OE1 2.94Å; I342-E346 PolarHBondContact O-N 3.17Å; I343-E346 PolarHBondContact O-N 2.96Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.37Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; E346-K349 WeakPolarHBondContact O-CB 3.39Å; E346-K349 PolarHBondContact O-N 3.3Å; E346-K349 VanDerWaalsContact O-N 3.15Å; E346-D350 PolarHBondContact O-N 2.91Å; E346-D350 VanDerWaalsContact O-N 3.07Å
347	N	76.4	Confident	76.9	Confident	56 Å²	56	69.6 Å²	69.6	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-36.9	174.3	-76.7	-26.5	0	0	0	112.7	I343 I344 D350 C351	I343-N347 WeakPolarHBondContact O-CB 3.35Å; I343-N347 PolarHBondContact O-N 2.76Å; I343-N347 PolarHBondContact O-ND2 3.05Å; I344-N347 PolarHBondContact O-N 3.44Å; N347-D350 PolarHBondContact O-N 3.08Å; N347-C351 PolarHBondContact O-N 3.42Å; N347-C351 PolarHBondContact O-SG 2.83Å
348	L	74.2	Confident	75.9	Confident	70 Å²	70	70.3 Å²	70.3	37%	0.366	38%	0.379	S	S	.	.	H	α-helix	trans	-69.9	-34.2	176.7	-73.3	173.2	0	0	0	112.8	I344 E346 C351 G352 L353	I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; L348-C351 PolarHBondContact O-N 3.4Å; L348-G352 PolarHBondContact O-N 3.14Å; L348-L353 HydrophobicContact CD2-CD1 4.06Å; L348-L353 PolarHBondContact O-N 2.71Å
349	K	70.6	Confident	74.8	Confident	108 Å²	108	72.9 Å²	72.9	47%	0.47	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-43.5	172.5	-75.9	175.2	175.6	-174.2	0	111.1	K345 E346 C351 G352 F354	K345-K349 WeakPolarHBondContact O-CG 3.35Å; K345-K349 PolarHBondContact O-N 3.46Å; E346-K349 WeakPolarHBondContact O-CB 3.39Å; E346-K349 PolarHBondContact O-N 3.3Å; E346-K349 VanDerWaalsContact O-N 3.15Å; K349-C351 PolarHBondContact O-N 3.05Å; K349-G352 PolarHBondContact O-N 2.83Å; K349-F354 HydrophobicContact CG-CB 4.25Å
350	D	67	Low	73.6	Confident	141 Å²	141	77.8 Å²	77.8	75%	0.754	41%	0.414	S	S	*	.	H	α-helix	trans	-63.4	-27	177.8	-72.7	-11.6	0	0	0	112.5	E346 N347 G352	E346-D350 PolarHBondContact O-N 2.91Å; E346-D350 VanDerWaalsContact O-N 3.07Å; N347-D350 PolarHBondContact O-N 3.08Å; D350-G352 VanDerWaalsContact C-N 3.31Å; D350-G352 PolarHBondContact O-N 3.3Å
351	C	61.9	Low	72.2	Confident	94 Å²	94	83.4 Å²	83.4	64%	0.635	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.8	174.4	-63.4	0	0	0	0	114.3	N347 L348 K349 L353	N347-C351 PolarHBondContact O-N 3.42Å; N347-C351 PolarHBondContact O-SG 2.83Å; L348-C351 PolarHBondContact O-N 3.4Å; K349-C351 PolarHBondContact O-N 3.05Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.47Å; C351-L353 PolarHBondContact O-N 3.49Å
352	G	51.6	Low	70.8	Confident	64 Å²	64	83.8 Å²	83.8	66%	0.66	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	22.6	-179	0	0	0	0	0	114.7	L348 K349 D350 F354	L348-G352 PolarHBondContact O-N 3.14Å; K349-G352 PolarHBondContact O-N 2.83Å; D350-G352 VanDerWaalsContact C-N 3.31Å; D350-G352 PolarHBondContact O-N 3.3Å; G352-F354 VanDerWaalsContact C-N 3.34Å
353	L	49.4	Very low	69.4	Low	129 Å²	129	88.8 Å²	88.8	68%	0.675	47%	0.473	S	S	*	.			trans	-93.7	17.5	179.3	-70.9	169.4	0	0	0	113.4	L348 C351	L348-L353 HydrophobicContact CD2-CD1 4.06Å; L348-L353 PolarHBondContact O-N 2.71Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.47Å; C351-L353 PolarHBondContact O-N 3.49Å
354	F	41.3	Very low	67.8	Low	211 Å²	211	96.8 Å²	96.8	93%	0.925	52%	0.516	S	S	*	.			trans	-136	0	177.4	-119.1	-79	0	0	0	113.3	K349 G352	K349-F354 HydrophobicContact CG-CB 4.25Å; G352-F354 VanDerWaalsContact C-N 3.34Å

Retrieved 354 of 354 residues in 2946.7 ms (Link to these results)

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