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NADH-ubiquinone oxidoreductase chain 4

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A023I905, Species HUMAN (Homo sapiens, Human), Gene ND4, Length 459 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	89.3	Confident	94.9	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	25%	0.252	C	S	.	.				0	-19.8	0	-64.9	-53.9	174.5	0	0	116	K3 L4 I5 F41 F56 S58 L66 T111	M1-K3 PolarHBondContact O-N 3.01Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-I5 HydrophobicContact CB-CD1 3.81Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.33Å; M1-I5 VanDerWaalsContact O-N 3.14Å; M1-F41 HydrophobicContact CE-CD1 4.27Å; M1-F41 HydrophobicContact CE-CE1 3.86Å; M1-F41 HydrophobicContact CE-CE2 4.27Å; M1-F41 HydrophobicContact CE-CZ 3.85Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; M1-F41 HydrophobicContact SD-CE2 3.84Å; M1-F41 HydrophobicContact SD-CZ 3.35Å; M1-F41 WeakPolarHBondContact SD-CZ 3.34Å; M1-F56 HydrophobicContact CB-CB 3.81Å; M1-F56 HydrophobicContact CB-CD1 4.44Å; M1-F56 HydrophobicContact CB-CD2 4.24Å; M1-F56 HydrophobicContact CB-CG 3.91Å; M1-F56 HydrophobicContact CG-CB 3.62Å; M1-F56 HydrophobicContact CG-CG 4.19Å; M1-S58 WeakPolarHBondContact CE-OG 3.4Å; M1-L66 HydrophobicContact CE-CD1 4.14Å; M1-T111 HydrophobicContact CE-CG2 3.63Å; M1-T111 HydrophobicContact CG-CG2 3.59Å; M1-T111 HydrophobicContact SD-CG2 3.74Å
2	L	91.8	Very high	95.2	Very high	111 Å²	111	48.8 Å²	48.8	58%	0.581	25%	0.253	S	S	*	.	H	α-helix	trans	-54.4	-33.3	179.8	-73.9	164.1	0	0	0	114.6	L4 I5 V6	L2-L4 PolarHBondContact O-N 3.18Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-I5 HydrophobicContact CD2-CD1 4.5Å; L2-I5 PolarHBondContact O-N 3.25Å; L2-V6 HydrophobicContact CD2-CG2 4.39Å; L2-V6 WeakPolarHBondContact O-CB 3.24Å; L2-V6 WeakPolarHBondContact O-CG2 3.34Å; L2-V6 PolarHBondContact O-N 3.02Å
3	K	91.9	Very high	95.3	Very high	101 Å²	101	49.4 Å²	49.4	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-56.7	-22.1	173.7	67.7	175.7	178.6	178.2	0	114.4	M1 P7 I37 F41	M1-K3 PolarHBondContact O-N 3.01Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-P7 VanDerWaalsContact O-CD 3.24Å; K3-P7 WeakPolarHBondContact O-CD 3.28Å; K3-P7 VanDerWaalsContact O-CG 3.23Å; K3-P7 WeakPolarHBondContact O-CG 3.37Å; K3-I37 HydrophobicContact CD-CG2 4.39Å; K3-I37 HydrophobicContact CG-CG2 4.33Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.34Å
4	L	93.3	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-101.4	-40.4	177.6	-162.6	152.8	0	0	0	110.5	M1 L2 P7 T8 P38 F41 T70 I107	M1-L4 PolarHBondContact O-N 3.22Å; L2-L4 PolarHBondContact O-N 3.18Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L4-P7 WeakPolarHBondContact O-CD 3.32Å; L4-T8 HydrophobicContact CD2-CG2 4.41Å; L4-T8 WeakPolarHBondContact O-CG2 3.43Å; L4-T8 PolarHBondContact O-N 3.04Å; L4-T8 PolarHBondContact O-OG1 3.22Å; L4-P38 HydrophobicContact CD1-CB 3.97Å; L4-P38 HydrophobicContact CD1-CG 3.87Å; L4-F41 HydrophobicContact CD1-CE2 4.17Å; L4-T70 HydrophobicContact CD1-CG2 4.1Å; L4-T70 HydrophobicContact CD2-CG2 3.87Å; L4-T70 HydrophobicContact CG-CG2 4.36Å; L4-I107 HydrophobicContact CD2-CB 4.13Å; L4-I107 HydrophobicContact CD2-CD1 3.23Å; L4-I107 HydrophobicContact CD2-CG1 3.55Å; L4-I107 HydrophobicContact CD2-CG2 3.47Å; L4-I107 VanDerWaalsContact CD2-CG2 3.47Å
5	I	95.3	Very high	95.6	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-48.7	-179.1	-59.8	156.4	0	0	0	111.8	M1 L2 T8 I9 F56 I107 M108	M1-I5 HydrophobicContact CB-CD1 3.81Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.33Å; M1-I5 VanDerWaalsContact O-N 3.14Å; L2-I5 HydrophobicContact CD2-CD1 4.5Å; L2-I5 PolarHBondContact O-N 3.25Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.41Å; I5-T8 VanDerWaalsContact O-N 3.14Å; I5-T8 PolarHBondContact O-OG1 2.99Å; I5-I9 HydrophobicContact CG2-CD1 3.67Å; I5-I9 HydrophobicContact CG2-CG1 4.27Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 3.27Å; I5-F56 HydrophobicContact CD1-CD2 4.45Å; I5-F56 HydrophobicContact CD1-CE2 4.13Å; I5-F56 HydrophobicContact CD1-CZ 4.23Å; I5-I107 HydrophobicContact CG1-CG2 4.04Å; I5-M108 HydrophobicContact CD1-CE 4.31Å; I5-M108 HydrophobicContact CD1-SD 3.2Å; I5-M108 WeakPolarHBondContact CD1-SD 3.3Å; I5-M108 HydrophobicContact CG1-SD 3.57Å; I5-M108 VanDerWaalsContact CG1-SD 3.57Å; I5-M108 HydrophobicContact CG2-SD 4.17Å
6	V	96.6	Very high	95.7	Very high	70 Å²	70	49.9 Å²	49.9	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-49.1	-176	173.7	0	0	0	0	111.6	L2 T8 I9 M10	L2-V6 HydrophobicContact CD2-CG2 4.39Å; L2-V6 WeakPolarHBondContact O-CB 3.24Å; L2-V6 WeakPolarHBondContact O-CG2 3.34Å; L2-V6 PolarHBondContact O-N 3.02Å; V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.48Å; V6-I9 PolarHBondContact O-N 3.28Å; V6-M10 HydrophobicContact CG1-CE 4.46Å; V6-M10 HydrophobicContact CG1-CG 4.41Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.41Å; V6-M10 PolarHBondContact O-N 2.86Å
7	P	96.9	Very high	95.7	Very high	40 Å²	40	55.9 Å²	55.9	26%	0.26	29%	0.285	S	S	.	.	H	α-helix	trans	-57.1	-39.4	173.3	-28.9	37.5	0	0	0	113.8	K3 L4 M10 L11 I34 I37	K3-P7 VanDerWaalsContact O-CD 3.24Å; K3-P7 WeakPolarHBondContact O-CD 3.28Å; K3-P7 VanDerWaalsContact O-CG 3.23Å; K3-P7 WeakPolarHBondContact O-CG 3.37Å; L4-P7 WeakPolarHBondContact O-CD 3.32Å; P7-M10 PolarHBondContact O-N 3.4Å; P7-L11 PolarHBondContact O-N 3.38Å; P7-I34 HydrophobicContact CB-CD1 3.89Å; P7-I34 HydrophobicContact CB-CG1 3.78Å; P7-I37 HydrophobicContact CG-CD1 4.29Å
8	T	96.6	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-38.1	177.6	55	0	0	0	0	112.9	L4 I5 V6 M10 L11 I34 I100 I107	L4-T8 HydrophobicContact CD2-CG2 4.41Å; L4-T8 WeakPolarHBondContact O-CG2 3.43Å; L4-T8 PolarHBondContact O-N 3.04Å; L4-T8 PolarHBondContact O-OG1 3.22Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.41Å; I5-T8 VanDerWaalsContact O-N 3.14Å; I5-T8 PolarHBondContact O-OG1 2.99Å; V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.48Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.11Å; T8-L11 WeakPolarHBondContact O-CB 3.25Å; T8-L11 PolarHBondContact O-N 3.29Å; T8-I34 HydrophobicContact CG2-CD1 4.1Å; T8-I34 HydrophobicContact CG2-CG2 3.76Å; T8-I100 WeakPolarHBondContact O-CG2 3.48Å; T8-I107 HydrophobicContact CG2-CD1 3.69Å
9	I	97.4	Very high	95.7	Very high	76 Å²	76	59.6 Å²	59.6	39%	0.39	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-40.5	172.7	-66.4	169.3	0	0	0	110.1	I5 V6 L11 L12 P13 I104	I5-I9 HydrophobicContact CG2-CD1 3.67Å; I5-I9 HydrophobicContact CG2-CG1 4.27Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 3.27Å; V6-I9 PolarHBondContact O-N 3.28Å; I9-L11 PolarHBondContact O-N 2.89Å; I9-L12 WeakPolarHBondContact O-CB 3.18Å; I9-L12 PolarHBondContact O-N 3.4Å; I9-P13 VanDerWaalsContact O-CD 3.24Å; I9-P13 WeakPolarHBondContact O-CD 3.16Å; I9-I104 HydrophobicContact CG1-CD1 3.9Å; I9-I104 HydrophobicContact CG1-CG1 4.33Å; I9-I104 HydrophobicContact CG1-CG2 4.47Å
10	M	97.7	Very high	95.5	Very high	115 Å²	115	63.2 Å²	63.2	57%	0.567	31%	0.312	S	S	*	.	H	α-helix	trans	-66.1	-14.4	177.9	-67.8	-61.6	177.4	0	0	113.9	V6 P7 T8 L12 P13 L14	V6-M10 HydrophobicContact CG1-CE 4.46Å; V6-M10 HydrophobicContact CG1-CG 4.41Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.41Å; V6-M10 PolarHBondContact O-N 2.86Å; P7-M10 PolarHBondContact O-N 3.4Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.11Å; M10-L12 PolarHBondContact O-N 3.28Å; M10-P13 VanDerWaalsContact O-CD 3.3Å; M10-P13 WeakPolarHBondContact O-CD 3.42Å; M10-P13 WeakPolarHBondContact O-CG 3.39Å; M10-P13 HydrophobicContact SD-CG 4.19Å; M10-L14 WeakPolarHBondContact O-CB 3.45Å; M10-L14 PolarHBondContact O-N 3.41Å
11	L	97.6	Very high	95.3	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-29.4	168.1	-66.2	176.8	0	0	0	112.1	P7 T8 I9 L14 T15 H30 I34 L73 I100	P7-L11 PolarHBondContact O-N 3.38Å; T8-L11 WeakPolarHBondContact O-CB 3.25Å; T8-L11 PolarHBondContact O-N 3.29Å; I9-L11 PolarHBondContact O-N 2.89Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.05Å; L11-T15 WeakPolarHBondContact O-CG2 3.34Å; L11-T15 PolarHBondContact O-N 3.45Å; L11-H30 HydrophobicContact CD2-CB 3.64Å; L11-I34 HydrophobicContact CD1-CD1 3.68Å; L11-I34 HydrophobicContact CD2-CD1 4.03Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; L11-L73 HydrophobicContact CD1-CD2 3.69Å; L11-I100 HydrophobicContact CB-CD1 3.67Å; L11-I100 HydrophobicContact CB-CG1 4.06Å; L11-I100 HydrophobicContact CB-CG2 3.94Å; L11-I100 HydrophobicContact CD1-CG1 4.2Å
12	L	97.7	Very high	95.6	Very high	50 Å²	50	71.4 Å²	71.4	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-61.4	177.2	-67.5	171.4	0	0	0	111.8	I9 M10 L14 T15 W16 I100 I104	I9-L12 WeakPolarHBondContact O-CB 3.18Å; I9-L12 PolarHBondContact O-N 3.4Å; M10-L12 PolarHBondContact O-N 3.28Å; L12-L14 PolarHBondContact O-N 2.88Å; L12-T15 PolarHBondContact O-N 3.45Å; L12-T15 PolarHBondContact O-OG1 3.27Å; L12-W16 VanDerWaalsContact O-CD1 3.26Å; L12-W16 PolarHBondContact O-N 3.5Å; L12-I100 HydrophobicContact CD2-CB 4.13Å; L12-I100 HydrophobicContact CD2-CG2 3.86Å; L12-I100 HydrophobicContact CG-CG2 3.89Å; L12-I104 HydrophobicContact CD1-CD1 4.29Å
13	P	97.3	Very high	95.8	Very high	56 Å²	56	66.1 Å²	66.1	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-59.2	-34	177.5	23.3	-32.4	0	0	0	111.8	I9 M10 T15 W16 L17	I9-P13 VanDerWaalsContact O-CD 3.24Å; I9-P13 WeakPolarHBondContact O-CD 3.16Å; M10-P13 VanDerWaalsContact O-CD 3.3Å; M10-P13 WeakPolarHBondContact O-CD 3.42Å; M10-P13 WeakPolarHBondContact O-CG 3.39Å; M10-P13 HydrophobicContact SD-CG 4.19Å; P13-T15 PolarHBondContact O-N 3.31Å; P13-W16 PolarHBondContact O-N 3.29Å; P13-L17 HydrophobicContact CB-CD1 4.36Å; P13-L17 VanDerWaalsContact O-CB 3.29Å; P13-L17 WeakPolarHBondContact O-CB 3.23Å; P13-L17 VanDerWaalsContact O-CG 3.29Å; P13-L17 WeakPolarHBondContact O-CG 3.47Å; P13-L17 PolarHBondContact O-N 3.44Å
14	L	97.3	Very high	96	Very high	39 Å²	39	63.1 Å²	63.1	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-41.7	174.7	-176.7	144.1	0	0	0	112.9	M10 L11 L12 W16 S18 N26 T27 H30	M10-L14 WeakPolarHBondContact O-CB 3.45Å; M10-L14 PolarHBondContact O-N 3.41Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.05Å; L12-L14 PolarHBondContact O-N 2.88Å; L14-W16 VanDerWaalsContact C-N 3.35Å; L14-S18 WeakPolarHBondContact O-CB 3.21Å; L14-S18 PolarHBondContact O-N 3.31Å; L14-S18 VanDerWaalsContact O-N 3.12Å; L14-S18 PolarHBondContact O-OG 2.95Å; L14-N26 HydrophobicContact CD2-CB 3.84Å; L14-N26 HydrophobicContact CG-CB 4.49Å; L14-T27 HydrophobicContact CD2-CG2 3.7Å; L14-H30 HydrophobicContact CD1-CB 4.33Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.44Å
15	T	96.8	Very high	96.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-37.7	176.3	68	0	0	0	0	112.2	L11 L12 P13 S18 T27 K93 L96 I100	L11-T15 WeakPolarHBondContact O-CG2 3.34Å; L11-T15 PolarHBondContact O-N 3.45Å; L12-T15 PolarHBondContact O-N 3.45Å; L12-T15 PolarHBondContact O-OG1 3.27Å; P13-T15 PolarHBondContact O-N 3.31Å; T15-S18 PolarHBondContact O-OG 2.68Å; T15-S18 VanDerWaalsContact O-OG 3.06Å; T15-T27 HydrophobicContact CG2-CG2 3.37Å; T15-K93 VanDerWaalsContact O-CE 3.24Å; T15-K93 WeakPolarHBondContact O-CE 3.28Å; T15-L96 HydrophobicContact CG2-CB 4.22Å; T15-I100 HydrophobicContact CG2-CD1 3.28Å
16	W	97	Very high	96.3	Very high	118 Å²	118	69.4 Å²	69.4	45%	0.447	34%	0.341	S	S	.	.	H	α-helix	trans	-80.9	-34.3	-175.4	-75.9	97.1	0	0	0	112.7	L12 P13 L14 K93 L94	L12-W16 VanDerWaalsContact O-CD1 3.26Å; L12-W16 PolarHBondContact O-N 3.5Å; P13-W16 PolarHBondContact O-N 3.29Å; L14-W16 VanDerWaalsContact C-N 3.35Å; W16-K93 HydrophobicContact CD2-CB 4.46Å; W16-K93 HydrophobicContact CD2-CD 4.46Å; W16-K93 HydrophobicContact CE3-CB 4.45Å; W16-K93 HydrophobicContact CE3-CD 4.06Å; W16-K93 HydrophobicContact CH2-CB 4.49Å; W16-K93 HydrophobicContact CZ2-CB 4.48Å; W16-K93 HydrophobicContact CZ3-CB 4.47Å; W16-K93 PolarHBondContact O-NZ 3.09Å; W16-L94 HydrophobicContact CH2-CD2 4.05Å; W16-L94 HydrophobicContact CH2-CG 4.2Å; W16-L94 HydrophobicContact CZ2-CD2 3.87Å; W16-L94 HydrophobicContact CZ2-CG 4.28Å
17	L	96.8	Very high	96.3	Very high	151 Å²	151	66.1 Å²	66.1	79%	0.791	32%	0.321	S	S	*	.	H	α-helix	trans	-87.9	-16.1	-179.6	-63	173.8	0	0	0	113.7	P13	P13-L17 HydrophobicContact CB-CD1 4.36Å; P13-L17 VanDerWaalsContact O-CB 3.29Å; P13-L17 WeakPolarHBondContact O-CB 3.23Å; P13-L17 VanDerWaalsContact O-CG 3.29Å; P13-L17 WeakPolarHBondContact O-CG 3.47Å; P13-L17 PolarHBondContact O-N 3.44Å
18	S	96.6	Very high	96.3	Very high	11 Å²	11	65 Å²	65	8%	0.077	31%	0.313	C	S	.	.	S	Bend	trans	-67.5	142.8	179.5	46.8	0	0	0	0	113.3	L14 T15 I23 K93	L14-S18 WeakPolarHBondContact O-CB 3.21Å; L14-S18 PolarHBondContact O-N 3.31Å; L14-S18 VanDerWaalsContact O-N 3.12Å; L14-S18 PolarHBondContact O-OG 2.95Å; T15-S18 PolarHBondContact O-OG 2.68Å; T15-S18 VanDerWaalsContact O-OG 3.06Å; S18-I23 WeakPolarHBondContact OG-CG1 3.34Å; S18-K93 PolarHBondContact O-NZ 3.04Å
19	K	94.9	Very high	96.3	Very high	172 Å²	172	67.8 Å²	67.8	75%	0.748	33%	0.331	S	S	*	.			trans	-62	147.4	172.9	-65.3	-178.6	-178.9	177.6	0	110.2	H21 M22 I23	K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.14Å; K19-M22 PolarHBondContact O-N 3.49Å; K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.46Å; K19-I23 PolarHBondContact O-N 3.06Å
20	K	91.2	Very high	96.3	Very high	131 Å²	131	68 Å²	68	57%	0.57	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-45.5	-175	179.9	175.8	179.5	-173.3	0	115.1	L89	K20-L89 HydrophobicContact CB-CD1 4.19Å; K20-L89 HydrophobicContact CB-CD2 4.18Å; K20-L89 HydrophobicContact CG-CD1 3.81Å; K20-L89 HydrophobicContact CG-CD2 4.32Å
21	H	91.1	Very high	96.3	Very high	157 Å²	157	62.6 Å²	62.6	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-25	-178.6	-61.9	-76.4	0	0	0	113.6	K19	K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.14Å
22	M	95.4	Very high	96.2	Very high	90 Å²	90	64.6 Å²	64.6	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.8	-174.4	-64.5	-58.5	-170	0	0	113.7	K19 W24 I25 N26	K19-M22 PolarHBondContact O-N 3.49Å; M22-W24 VanDerWaalsContact C-N 3.35Å; M22-W24 PolarHBondContact O-N 3.2Å; M22-I25 PolarHBondContact O-N 3.26Å; M22-I25 HydrophobicContact SD-CD1 3.99Å; M22-N26 WeakPolarHBondContact O-CB 3.38Å; M22-N26 VanDerWaalsContact O-CG 3.29Å; M22-N26 PolarHBondContact O-N 2.81Å
23	I	96.5	Very high	96.1	Very high	1 Å²	1	67 Å²	67	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-55	-51.6	-175.7	-56.4	176.7	0	0	0	110.8	S18 K19 T27 L89 K93 L96	S18-I23 WeakPolarHBondContact OG-CG1 3.34Å; K19-I23 VanDerWaalsContact O-CG1 3.32Å; K19-I23 WeakPolarHBondContact O-CG1 3.46Å; K19-I23 PolarHBondContact O-N 3.06Å; I23-T27 WeakPolarHBondContact O-CB 3.34Å; I23-T27 WeakPolarHBondContact O-CG2 3.24Å; I23-T27 PolarHBondContact O-N 3.18Å; I23-T27 VanDerWaalsContact O-N 3.09Å; I23-T27 PolarHBondContact O-OG1 3.27Å; I23-L89 HydrophobicContact CD1-CD1 3.26Å; I23-L89 HydrophobicContact CD1-CG 4.24Å; I23-K93 HydrophobicContact CD1-CD 4.35Å; I23-K93 VanDerWaalsContact CD1-CE 3.41Å; I23-K93 HydrophobicContact CD1-CG 3.99Å; I23-L96 HydrophobicContact CG2-CD1 3.38Å
24	W	96.1	Very high	96.1	Very high	37 Å²	37	64.6 Å²	64.6	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-44.3	-178.6	-62.7	108.5	0	0	0	112	M22 T27 T28 I77 Q81 L84 K92 L96	M22-W24 VanDerWaalsContact C-N 3.35Å; M22-W24 PolarHBondContact O-N 3.2Å; W24-T27 PolarHBondContact O-OG1 2.84Å; W24-T27 VanDerWaalsContact O-OG1 3.12Å; W24-T28 WeakPolarHBondContact O-CB 3.45Å; W24-T28 VanDerWaalsContact O-CG2 3.25Å; W24-T28 WeakPolarHBondContact O-CG2 3.39Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.28Å; W24-I77 HydrophobicContact CE3-CG2 3.55Å; W24-I77 HydrophobicContact CZ3-CG2 3.87Å; W24-Q81 HydrophobicContact CB-CG 4.23Å; W24-Q81 HydrophobicContact CD2-CG 3.44Å; W24-Q81 VanDerWaalsContact CD2-CG 3.44Å; W24-Q81 HydrophobicContact CE3-CB 4.5Å; W24-Q81 HydrophobicContact CE3-CG 3.27Å; W24-Q81 HydrophobicContact CG-CG 3.87Å; W24-Q81 HydrophobicContact CH2-CG 4.3Å; W24-Q81 HydrophobicContact CZ2-CG 4.45Å; W24-Q81 HydrophobicContact CZ3-CG 3.72Å; W24-L84 HydrophobicContact CH2-CB 4.43Å; W24-L84 HydrophobicContact CH2-CD1 3.8Å; W24-L84 HydrophobicContact CZ2-CB 4.28Å; W24-L84 HydrophobicContact CZ2-CD1 4.39Å; W24-K92 HydrophobicContact CZ2-CB 4.45Å; W24-K92 HydrophobicContact CZ2-CG 4.3Å; W24-L96 HydrophobicContact CD2-CD1 4.49Å; W24-L96 HydrophobicContact CE3-CD1 4.19Å; W24-L96 HydrophobicContact CE3-CD2 4.02Å; W24-L96 HydrophobicContact CH2-CD1 4.47Å; W24-L96 HydrophobicContact CH2-CD2 4.27Å; W24-L96 HydrophobicContact CH2-CG 4.34Å; W24-L96 HydrophobicContact CZ3-CD1 4.21Å; W24-L96 HydrophobicContact CZ3-CD2 3.6Å; W24-L96 HydrophobicContact CZ3-CG 4.1Å
25	I	96.6	Very high	96	Very high	89 Å²	89	63.1 Å²	63.1	46%	0.456	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-56.4	-179.7	-65	161.7	0	0	0	109.8	M22 T27 T28 T29	M22-I25 PolarHBondContact O-N 3.26Å; M22-I25 HydrophobicContact SD-CD1 3.99Å; I25-T27 VanDerWaalsContact C-N 3.33Å; I25-T27 PolarHBondContact O-N 3.02Å; I25-T28 PolarHBondContact O-N 2.79Å; I25-T28 PolarHBondContact O-OG1 3.26Å; I25-T29 HydrophobicContact CG2-CG2 4.29Å; I25-T29 WeakPolarHBondContact O-CG2 3.26Å; I25-T29 PolarHBondContact O-N 2.87Å; I25-T29 PolarHBondContact O-OG1 2.81Å
26	N	97.3	Very high	95.8	Very high	52 Å²	52	68.1 Å²	68.1	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-42	-177	-64.4	-0.1	0	0	0	111.6	L14 M22 T29 H30	L14-N26 HydrophobicContact CD2-CB 3.84Å; L14-N26 HydrophobicContact CG-CB 4.49Å; M22-N26 WeakPolarHBondContact O-CB 3.38Å; M22-N26 VanDerWaalsContact O-CG 3.29Å; M22-N26 PolarHBondContact O-N 2.81Å; N26-T29 PolarHBondContact O-N 3.17Å; N26-T29 PolarHBondContact O-OG1 3.49Å; N26-T29 VanDerWaalsContact O-OG1 3.08Å; N26-H30 WeakPolarHBondContact O-CB 3.4Å; N26-H30 PolarHBondContact O-CD2 3.49Å; N26-H30 PolarHBondContact O-N 3.28Å
27	T	97.1	Very high	95.5	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-40	178.6	52.3	0	0	0	0	112.3	L14 T15 I23 W24 I25 S31 L96	L14-T27 HydrophobicContact CD2-CG2 3.7Å; T15-T27 HydrophobicContact CG2-CG2 3.37Å; I23-T27 WeakPolarHBondContact O-CB 3.34Å; I23-T27 WeakPolarHBondContact O-CG2 3.24Å; I23-T27 PolarHBondContact O-N 3.18Å; I23-T27 VanDerWaalsContact O-N 3.09Å; I23-T27 PolarHBondContact O-OG1 3.27Å; W24-T27 PolarHBondContact O-OG1 2.84Å; W24-T27 VanDerWaalsContact O-OG1 3.12Å; I25-T27 VanDerWaalsContact C-N 3.33Å; I25-T27 PolarHBondContact O-N 3.02Å; T27-S31 WeakPolarHBondContact O-CB 3.3Å; T27-S31 PolarHBondContact O-N 3.17Å; T27-S31 PolarHBondContact O-OG 3.21Å; T27-L96 HydrophobicContact CG2-CD1 4.41Å
28	T	97.3	Very high	95	Very high	15 Å²	15	57.1 Å²	57.1	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-44.1	174.8	55.4	0	0	0	0	112.8	W24 I25 S31 L32 I77 M78	W24-T28 WeakPolarHBondContact O-CB 3.45Å; W24-T28 VanDerWaalsContact O-CG2 3.25Å; W24-T28 WeakPolarHBondContact O-CG2 3.39Å; W24-T28 PolarHBondContact O-N 2.88Å; W24-T28 PolarHBondContact O-OG1 3.28Å; I25-T28 PolarHBondContact O-N 2.79Å; I25-T28 PolarHBondContact O-OG1 3.26Å; T28-S31 WeakPolarHBondContact CA-OG 3.41Å; T28-S31 PolarHBondContact O-N 2.81Å; T28-S31 PolarHBondContact O-OG 3.22Å; T28-L32 WeakPolarHBondContact O-CB 3.23Å; T28-L32 WeakPolarHBondContact O-CG 3.3Å; T28-L32 PolarHBondContact O-N 3.05Å; T28-I77 HydrophobicContact CG2-CB 3.94Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; T28-M78 HydrophobicContact CG2-CG 4.13Å
29	T	96.6	Very high	94.6	Very high	60 Å²	60	60.5 Å²	60.5	37%	0.368	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-46.9	-177.4	55	0	0	0	0	111.5	I25 N26 S31 L32 I33	I25-T29 HydrophobicContact CG2-CG2 4.29Å; I25-T29 WeakPolarHBondContact O-CG2 3.26Å; I25-T29 PolarHBondContact O-N 2.87Å; I25-T29 PolarHBondContact O-OG1 2.81Å; N26-T29 PolarHBondContact O-N 3.17Å; N26-T29 PolarHBondContact O-OG1 3.49Å; N26-T29 VanDerWaalsContact O-OG1 3.08Å; T29-S31 PolarHBondContact O-N 2.95Å; T29-L32 PolarHBondContact O-N 3.41Å; T29-I33 WeakPolarHBondContact O-CG1 3.44Å; T29-I33 PolarHBondContact O-N 3.19Å
30	H	97.1	Very high	94.1	Very high	81 Å²	81	57.9 Å²	57.9	38%	0.375	29%	0.289	S	S	.	.	H	α-helix	trans	-69.8	-32.5	179.4	-72	-71.8	0	0	0	112.8	L11 L14 N26 I33 I34	L11-H30 HydrophobicContact CD2-CB 3.64Å; L14-H30 HydrophobicContact CD1-CB 4.33Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.44Å; N26-H30 WeakPolarHBondContact O-CB 3.4Å; N26-H30 PolarHBondContact O-CD2 3.49Å; N26-H30 PolarHBondContact O-N 3.28Å; H30-I33 PolarHBondContact O-N 3.45Å; H30-I34 VanDerWaalsContact O-CG1 3.29Å; H30-I34 WeakPolarHBondContact O-CG1 3.28Å; H30-I34 PolarHBondContact O-N 3.14Å
31	S	97.3	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-34.9	173.5	57.8	0	0	0	0	113.1	T27 T28 T29 I34 S35 P74	T27-S31 WeakPolarHBondContact O-CB 3.3Å; T27-S31 PolarHBondContact O-N 3.17Å; T27-S31 PolarHBondContact O-OG 3.21Å; T28-S31 WeakPolarHBondContact CA-OG 3.41Å; T28-S31 PolarHBondContact O-N 2.81Å; T28-S31 PolarHBondContact O-OG 3.22Å; T29-S31 PolarHBondContact O-N 2.95Å; S31-I34 PolarHBondContact O-N 2.91Å; S31-S35 PolarHBondContact O-N 3.3Å; S31-P74 WeakPolarHBondContact OG-CB 3.43Å
32	L	96.4	Very high	92.7	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-43	169.1	-75.3	168	0	0	0	111.5	T28 T29 I34 S35 I36 W71 P74 M78	T28-L32 WeakPolarHBondContact O-CB 3.23Å; T28-L32 WeakPolarHBondContact O-CG 3.3Å; T28-L32 PolarHBondContact O-N 3.05Å; T29-L32 PolarHBondContact O-N 3.41Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.1Å; L32-S35 WeakPolarHBondContact O-CB 3.25Å; L32-S35 PolarHBondContact O-N 3.33Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.42Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-W71 HydrophobicContact CD2-CZ3 4.43Å; L32-P74 HydrophobicContact CD2-CB 3.71Å; L32-P74 HydrophobicContact CD2-CG 3.66Å; L32-P74 HydrophobicContact CG-CB 3.68Å; L32-P74 HydrophobicContact CG-CG 4.01Å; L32-M78 HydrophobicContact CD1-CE 4.36Å
33	I	96	Very high	91.1	Very high	99 Å²	99	49.1 Å²	49.1	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-42.5	174.8	-66.1	165.3	0	0	0	110.6	T29 H30 S35 I36	T29-I33 WeakPolarHBondContact O-CG1 3.44Å; T29-I33 PolarHBondContact O-N 3.19Å; H30-I33 PolarHBondContact O-N 3.45Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 2.98Å; I33-I36 PolarHBondContact O-N 2.98Å
34	I	96.3	Very high	89.4	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-37.9	176.7	-69.1	163	0	0	0	111.7	P7 T8 L11 H30 S31 L32 I36 I37 P38 T70	P7-I34 HydrophobicContact CB-CD1 3.89Å; P7-I34 HydrophobicContact CB-CG1 3.78Å; T8-I34 HydrophobicContact CG2-CD1 4.1Å; T8-I34 HydrophobicContact CG2-CG2 3.76Å; L11-I34 HydrophobicContact CD1-CD1 3.68Å; L11-I34 HydrophobicContact CD2-CD1 4.03Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; H30-I34 VanDerWaalsContact O-CG1 3.29Å; H30-I34 WeakPolarHBondContact O-CG1 3.28Å; H30-I34 PolarHBondContact O-N 3.14Å; S31-I34 PolarHBondContact O-N 2.91Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.1Å; I34-I36 PolarHBondContact O-N 2.94Å; I34-I37 HydrophobicContact CG1-CD1 4.49Å; I34-I37 WeakPolarHBondContact O-CB 3.22Å; I34-I37 PolarHBondContact O-N 3.05Å; I34-I37 VanDerWaalsContact O-N 3.09Å; I34-P38 WeakPolarHBondContact O-CD 3.48Å; I34-T70 HydrophobicContact CG2-CG2 4.47Å
35	S	95	Very high	87.4	Confident	8 Å²	8	55.5 Å²	55.5	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-19.3	179.8	75.9	0	0	0	0	114.2	S31 L32 I33 P38	S31-S35 PolarHBondContact O-N 3.3Å; L32-S35 WeakPolarHBondContact O-CB 3.25Å; L32-S35 PolarHBondContact O-N 3.33Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.42Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-S35 PolarHBondContact O-N 2.98Å; S35-P38 WeakPolarHBondContact O-CD 3.47Å
36	I	92.3	Very high	85.4	Confident	105 Å²	105	56.8 Å²	56.8	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-80.3	-30	176.1	-61	167.4	0	0	0	111.2	L32 I33 I34 L39	L32-I36 PolarHBondContact O-N 3.35Å; I33-I36 PolarHBondContact O-N 2.98Å; I34-I36 PolarHBondContact O-N 2.94Å; I36-L39 HydrophobicContact CG2-CD1 4.17Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.19Å; I36-L39 WeakPolarHBondContact O-CG 3.32Å; I36-L39 PolarHBondContact O-N 3.12Å; I36-L39 VanDerWaalsContact O-N 3.17Å
37	I	90.7	Very high	83.5	Confident	35 Å²	35	58.6 Å²	58.6	18%	0.179	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.1	-44.1	-177	-58.6	173.7	0	0	0	113.1	K3 P7 I34 L39 L40	K3-I37 HydrophobicContact CD-CG2 4.39Å; K3-I37 HydrophobicContact CG-CG2 4.33Å; P7-I37 HydrophobicContact CG-CD1 4.29Å; I34-I37 HydrophobicContact CG1-CD1 4.49Å; I34-I37 WeakPolarHBondContact O-CB 3.22Å; I34-I37 PolarHBondContact O-N 3.05Å; I34-I37 VanDerWaalsContact O-N 3.09Å; I37-L39 PolarHBondContact O-N 3.38Å; I37-L40 HydrophobicContact CG2-CD1 4.4Å; I37-L40 VanDerWaalsContact O-CB 3.31Å; I37-L40 WeakPolarHBondContact O-CB 3.31Å; I37-L40 WeakPolarHBondContact O-CG 3.37Å; I37-L40 PolarHBondContact O-N 3.24Å; I37-L40 VanDerWaalsContact O-N 3.14Å
38	P	87.9	Confident	81.8	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.026	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65	-17.1	-179.1	10.2	-16.3	0	0	0	115.1	L4 I34 S35 L40 F41 T70	L4-P38 HydrophobicContact CD1-CB 3.97Å; L4-P38 HydrophobicContact CD1-CG 3.87Å; I34-P38 WeakPolarHBondContact O-CD 3.48Å; S35-P38 WeakPolarHBondContact O-CD 3.47Å; P38-L40 PolarHBondContact O-N 3.49Å; P38-L40 VanDerWaalsContact O-N 3.11Å; P38-F41 HydrophobicContact CB-CD2 4.16Å; P38-F41 WeakPolarHBondContact O-CB 3.44Å; P38-F41 PolarHBondContact O-N 2.96Å; P38-T70 HydrophobicContact CG-CG2 4.08Å; P38-T70 WeakPolarHBondContact CG-OG1 3.29Å
39	L	87.1	Confident	80.2	Confident	81 Å²	81	65.9 Å²	65.9	42%	0.424	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57.2	-27.4	172.7	-61.1	177.1	0	0	0	112	I36 I37 F41 F42 M67	I36-L39 HydrophobicContact CG2-CD1 4.17Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.19Å; I36-L39 WeakPolarHBondContact O-CG 3.32Å; I36-L39 PolarHBondContact O-N 3.12Å; I36-L39 VanDerWaalsContact O-N 3.17Å; I37-L39 PolarHBondContact O-N 3.38Å; L39-F41 PolarHBondContact O-N 3.2Å; L39-F42 HydrophobicContact CB-CD2 4.39Å; L39-F42 HydrophobicContact CD2-CD2 4.02Å; L39-F42 HydrophobicContact CD2-CE2 3.58Å; L39-F42 WeakPolarHBondContact O-CD2 3.49Å; L39-F42 PolarHBondContact O-N 2.91Å; L39-M67 HydrophobicContact CD2-CE 3.65Å; L39-M67 HydrophobicContact CD2-SD 4.02Å
40	L	85.2	Confident	78.6	Confident	117 Å²	117	68.4 Å²	68.4	61%	0.613	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-64.4	-18.6	175.9	-60.8	171.8	0	0	0	113.4	I37 P38 F42	I37-L40 HydrophobicContact CG2-CD1 4.4Å; I37-L40 VanDerWaalsContact O-CB 3.31Å; I37-L40 WeakPolarHBondContact O-CB 3.31Å; I37-L40 WeakPolarHBondContact O-CG 3.37Å; I37-L40 PolarHBondContact O-N 3.24Å; I37-L40 VanDerWaalsContact O-N 3.14Å; P38-L40 PolarHBondContact O-N 3.49Å; P38-L40 VanDerWaalsContact O-N 3.11Å; L40-F42 VanDerWaalsContact C-N 3.34Å
41	F	78.9	Confident	77.2	Confident	10 Å²	10	68 Å²	68	4%	0.044	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-87.6	-0.4	179	-60.7	-67.7	0	0	0	113.2	M1 K3 L4 P38 L39 N43 Q44 T63	M1-F41 HydrophobicContact CE-CD1 4.27Å; M1-F41 HydrophobicContact CE-CE1 3.86Å; M1-F41 HydrophobicContact CE-CE2 4.27Å; M1-F41 HydrophobicContact CE-CZ 3.85Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; M1-F41 HydrophobicContact SD-CE2 3.84Å; M1-F41 HydrophobicContact SD-CZ 3.35Å; M1-F41 WeakPolarHBondContact SD-CZ 3.34Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.34Å; L4-F41 HydrophobicContact CD1-CE2 4.17Å; P38-F41 HydrophobicContact CB-CD2 4.16Å; P38-F41 WeakPolarHBondContact O-CB 3.44Å; P38-F41 PolarHBondContact O-N 2.96Å; L39-F41 PolarHBondContact O-N 3.2Å; F41-N43 PolarHBondContact O-N 2.95Å; F41-Q44 WeakPolarHBondContact O-CG 3.28Å; F41-T63 HydrophobicContact CB-CG2 3.78Å
42	F	73.4	Confident	75.9	Confident	63 Å²	63	70.5 Å²	70.5	28%	0.276	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-74	-12.9	176.7	-76.6	-52.2	0	0	0	114.7	L39 L40 Q44 M67 I453	L39-F42 HydrophobicContact CB-CD2 4.39Å; L39-F42 HydrophobicContact CD2-CD2 4.02Å; L39-F42 HydrophobicContact CD2-CE2 3.58Å; L39-F42 WeakPolarHBondContact O-CD2 3.49Å; L39-F42 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact C-N 3.34Å; F42-Q44 PolarHBondContact O-N 2.91Å; F42-M67 HydrophobicContact CE2-SD 3.61Å; F42-M67 HydrophobicContact CZ-SD 3.49Å; F42-M67 WeakPolarHBondContact CZ-SD 3.12Å; F42-I453 HydrophobicContact CD1-CG2 3.47Å; F42-I453 VanDerWaalsContact CD1-CG2 3.47Å; F42-I453 HydrophobicContact CD2-CG2 4.45Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3Å; F42-I453 HydrophobicContact CE2-CG2 4.01Å; F42-I453 HydrophobicContact CG-CG2 4.21Å; F42-I453 HydrophobicContact CZ-CG2 3.3Å
43	N	61.1	Low	75.4	Confident	121 Å²	121	70.1 Å²	70.1	65%	0.647	37%	0.373	S	S	*	.			trans	-79.8	53.8	178.2	-158.6	27	0	0	0	111.9	F41 I45	F41-N43 PolarHBondContact O-N 2.95Å; N43-I45 PolarHBondContact O-N 3.22Å; N43-I45 WeakPolarHBondContact OD1-CD1 3.36Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.38Å
44	Q	62.7	Low	74.9	Confident	38 Å²	38	70.6 Å²	70.6	18%	0.178	38%	0.382	C	S	.	.			trans	-93.1	84.7	173.5	-70.5	-178.1	-7.8	0	0	107.9	F41 F42 N46 S58	F41-Q44 WeakPolarHBondContact O-CG 3.28Å; F42-Q44 PolarHBondContact O-N 2.91Å; Q44-N46 PolarHBondContact O-N 3.49Å; Q44-S58 VanDerWaalsContact NE2-C 3.31Å; Q44-S58 PolarHBondContact NE2-O 3.04Å
45	I	52.7	Low	74.6	Confident	135 Å²	135	72.8 Å²	72.8	69%	0.692	40%	0.396	S	S	*	.			trans	-71.3	-13.2	-175.1	-66.4	163.7	0	0	0	111.9	N43	N43-I45 PolarHBondContact O-N 3.22Å; N43-I45 WeakPolarHBondContact OD1-CD1 3.36Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.38Å
46	N	55.5	Low	74.5	Confident	116 Å²	116	73.3 Å²	73.3	62%	0.62	40%	0.398	S	S	*	.	S	Bend	trans	-140.9	150.3	178.1	-81.1	-29.3	0	0	0	110.8	Q44 N48	Q44-N46 PolarHBondContact O-N 3.49Å; N46-N48 PolarHBondContact O-N 3.22Å
47	N	57.6	Low	74.4	Confident	90 Å²	90	68.3 Å²	68.3	48%	0.481	37%	0.372	S	S	.	.	S	Bend	trans	-54.1	2.4	171.2	-77.8	-26.6	0	0	0	115.5
48	N	60.8	Low	74.3	Confident	124 Å²	124	66.7 Å²	66.7	66%	0.663	36%	0.364	S	S	*	.	S	Bend	trans	-78.2	129.9	174.6	-70	-6.6	0	0	0	109.7	N46 F50	N46-N48 PolarHBondContact O-N 3.22Å; N48-F50 PolarHBondContact O-N 3.02Å
49	L	63.6	Low	74.3	Confident	45 Å²	45	66.5 Å²	66.5	24%	0.236	36%	0.363	C	S	.	.			trans	-49	123.5	170.5	-71.6	98.1	0	0	0	110	S51 D59 L177	L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.02Å; L49-D59 WeakPolarHBondContact CA-OD1 3.46Å; L49-D59 WeakPolarHBondContact CB-OD1 3.39Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.48Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.4Å; L49-D59 HydrophobicContact CG-CB 4.43Å; L49-D59 WeakPolarHBondContact CG-OD1 3.46Å; L49-D59 WeakPolarHBondContact CG-OD2 3.36Å; L49-L177 HydrophobicContact CB-CD2 3.63Å; L49-L177 HydrophobicContact CD1-CD2 3.72Å; L49-L177 HydrophobicContact CD2-CD2 3.58Å; L49-L177 HydrophobicContact CD2-CG 4.25Å; L49-L177 HydrophobicContact CG-CD2 3.83Å
50	F	63.7	Low	74.3	Confident	112 Å²	112	63.5 Å²	63.5	49%	0.491	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	89	173.7	-170.6	-93.3	0	0	0	108.4	N48 C52 S58	N48-F50 PolarHBondContact O-N 3.02Å; F50-C52 PolarHBondContact O-N 3.49Å; F50-S58 WeakPolarHBondContact CA-O 3.44Å; F50-S58 VanDerWaalsContact CB-O 3.22Å; F50-S58 WeakPolarHBondContact CB-O 3.44Å; F50-S58 PolarHBondContact N-O 3.44Å; F50-S58 PolarHBondContact O-N 3.12Å
51	S	67.4	Low	74.6	Confident	74 Å²	74	58 Å²	58	52%	0.517	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111.5	174.3	59.4	0	0	0	0	109.9	L49	L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.02Å
52	C	70.6	Confident	75.2	Confident	52 Å²	52	57.5 Å²	57.5	35%	0.351	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-40	173.5	-68.2	0	0	0	0	111.6	F50 F56	F50-C52 PolarHBondContact O-N 3.49Å; C52-F56 WeakPolarHBondContact CB-O 3.27Å; C52-F56 PolarHBondContact N-O 3.11Å
53	S	85.4	Confident	76	Confident	38 Å²	38	54.8 Å²	54.8	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	166	-176.1	59.4	0	0	0	0	108.7	T55 F56	S53-T55 PolarHBondContact O-N 3.35Å; S53-T55 PolarHBondContact OG-OG1 2.78Å; S53-F56 PolarHBondContact N-O 2.99Å; S53-F56 VanDerWaalsContact N-O 3.12Å; S53-F56 PolarHBondContact O-N 2.93Å; S53-F56 VanDerWaalsContact O-O 3.12Å; S53-F56 PolarHBondContact OG-N 3.36Å; S53-F56 VanDerWaalsContact OG-N 3.16Å
54	P	85.4	Confident	77.5	Confident	108 Å²	108	49.2 Å²	49.2	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23	174.9	22.9	-35.2	0	0	0	113.1	T113	P54-T113 WeakPolarHBondContact O-CB 3.2Å; P54-T113 PolarHBondContact O-OG1 3.12Å
55	T	90.4	Very high	79.1	Confident	53 Å²	53	47.6 Å²	47.6	33%	0.325	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-26	-178.9	51.3	0	0	0	0	114.9	S53 T113 M117	S53-T55 PolarHBondContact O-N 3.35Å; S53-T55 PolarHBondContact OG-OG1 2.78Å; T55-T113 VanDerWaalsContact CA-OG1 3.27Å; T55-T113 WeakPolarHBondContact CA-OG1 3.33Å; T55-T113 PolarHBondContact O-N 3.33Å; T55-T113 PolarHBondContact O-OG1 3.29Å; T55-M117 HydrophobicContact CG2-CE 4.1Å
56	F	92	Very high	81.1	Confident	18 Å²	18	41.1 Å²	41.1	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.1	-174.2	-57.3	-66.2	0	0	0	113.1	M1 I5 C52 S53 M108 T111 M117	M1-F56 HydrophobicContact CB-CB 3.81Å; M1-F56 HydrophobicContact CB-CD1 4.44Å; M1-F56 HydrophobicContact CB-CD2 4.24Å; M1-F56 HydrophobicContact CB-CG 3.91Å; M1-F56 HydrophobicContact CG-CB 3.62Å; M1-F56 HydrophobicContact CG-CG 4.19Å; I5-F56 HydrophobicContact CD1-CD2 4.45Å; I5-F56 HydrophobicContact CD1-CE2 4.13Å; I5-F56 HydrophobicContact CD1-CZ 4.23Å; C52-F56 WeakPolarHBondContact CB-O 3.27Å; C52-F56 PolarHBondContact N-O 3.11Å; S53-F56 PolarHBondContact N-O 2.99Å; S53-F56 VanDerWaalsContact N-O 3.12Å; S53-F56 PolarHBondContact O-N 2.93Å; S53-F56 VanDerWaalsContact O-O 3.12Å; S53-F56 PolarHBondContact OG-N 3.36Å; S53-F56 VanDerWaalsContact OG-N 3.16Å; F56-M108 HydrophobicContact CE1-CE 3.59Å; F56-M108 HydrophobicContact CE1-SD 3.61Å; F56-M108 HydrophobicContact CE2-CE 4.27Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.64Å; F56-T111 CarbonylContact C-O 3.19Å; F56-T111 WeakPolarHBondContact CA-O 3.43Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.37Å; F56-M117 HydrophobicContact CE1-SD 4.32Å
57	S	89.9	Confident	83	Confident	1 Å²	1	38 Å²	38	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	162.2	173.2	61.6	0	0	0	0	111.3	T111 T113	S57-T111 PolarHBondContact N-O 2.93Å; S57-T113 WeakPolarHBondContact OG-CG2 3.23Å
58	S	88.8	Confident	84.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.1	167	39.9	0	0	0	0	110.6	M1 Q44 F50 T62	M1-S58 WeakPolarHBondContact CE-OG 3.4Å; Q44-S58 VanDerWaalsContact NE2-C 3.31Å; Q44-S58 PolarHBondContact NE2-O 3.04Å; F50-S58 WeakPolarHBondContact CA-O 3.44Å; F50-S58 VanDerWaalsContact CB-O 3.22Å; F50-S58 WeakPolarHBondContact CB-O 3.44Å; F50-S58 PolarHBondContact N-O 3.44Å; F50-S58 PolarHBondContact O-N 3.12Å; S58-T62 VanDerWaalsContact CA-OG1 3.25Å; S58-T62 WeakPolarHBondContact CA-OG1 3.21Å
59	D	87.6	Confident	86.5	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.167	C	C	.	.			trans	-131.2	169.2	-179.9	-46.7	-19.9	0	0	0	108.4	L49 L61 T62 T63 R245 F457	L49-D59 WeakPolarHBondContact CA-OD1 3.46Å; L49-D59 WeakPolarHBondContact CB-OD1 3.39Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.48Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.4Å; L49-D59 HydrophobicContact CG-CB 4.43Å; L49-D59 WeakPolarHBondContact CG-OD1 3.46Å; L49-D59 WeakPolarHBondContact CG-OD2 3.36Å; D59-L61 PolarHBondContact O-N 3.37Å; D59-T62 PolarHBondContact N-OG1 3.23Å; D59-T62 PolarHBondContact O-N 3.47Å; D59-T62 PolarHBondContact O-OG1 3.29Å; D59-T63 PolarHBondContact O-N 2.85Å; D59-T63 PolarHBondContact O-OG1 3.13Å; D59-R245 IonicContact OD2-CZ 3.29Å; D59-R245 IonicContact OD2-NH1 3.1Å; D59-R245 PolarHBondContact OD2-NH1 2.98Å; D59-R245 IonicContact OD2-NH2 3.18Å; D59-R245 PolarHBondContact OD2-NH2 2.7Å; D59-F457 HydrophobicContact CB-CE1 4.17Å; D59-F457 HydrophobicContact CB-CZ 4.32Å
60	P	87.8	Confident	88.1	Confident	17 Å²	17	26.3 Å²	26.3	11%	0.11	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.4	-176	25	-34.4	0	0	0	113.4	P64 G456 F457	P60-P64 WeakPolarHBondContact O-CD 3.49Å; P60-P64 WeakPolarHBondContact O-CG 3.47Å; P60-G456 VanDerWaalsContact CB-O 3.3Å; P60-G456 WeakPolarHBondContact CB-O 3.23Å; P60-G456 WeakPolarHBondContact CG-O 3.45Å; P60-F457 HydrophobicContact CG-CD1 3.98Å; P60-F457 HydrophobicContact CG-CE1 4.29Å
61	L	90.3	Very high	89.7	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-42.1	166.1	176.3	66.2	0	0	0	112.7	D59 Y241 M244 V313 F457	D59-L61 PolarHBondContact O-N 3.37Å; L61-Y241 HydrophobicContact CD2-CD2 3.6Å; L61-Y241 HydrophobicContact CD2-CE2 3.69Å; L61-Y241 HydrophobicContact CG-CD2 3.87Å; L61-Y241 HydrophobicContact CG-CE2 4.06Å; L61-M244 HydrophobicContact CD1-SD 3.4Å; L61-M244 WeakPolarHBondContact CD1-SD 3.49Å; L61-M244 HydrophobicContact CD2-CB 4.05Å; L61-M244 HydrophobicContact CD2-SD 4.19Å; L61-M244 HydrophobicContact CG-SD 4.45Å; L61-V313 HydrophobicContact CD1-CG2 3.36Å; L61-F457 HydrophobicContact CB-CE2 3.72Å; L61-F457 HydrophobicContact CB-CZ 3.97Å; L61-F457 HydrophobicContact CD2-CE2 4.18Å; L61-F457 HydrophobicContact CG-CE2 4.49Å
62	T	91.6	Very high	91.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-80.2	-34.9	-172.6	63.7	0	0	0	0	112.4	S58 D59 L65 L66 F110 Y241	S58-T62 VanDerWaalsContact CA-OG1 3.25Å; S58-T62 WeakPolarHBondContact CA-OG1 3.21Å; D59-T62 PolarHBondContact N-OG1 3.23Å; D59-T62 PolarHBondContact O-N 3.47Å; D59-T62 PolarHBondContact O-OG1 3.29Å; T62-L65 PolarHBondContact O-N 3.49Å; T62-L66 WeakPolarHBondContact O-CB 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.31Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.12Å; T62-F110 WeakPolarHBondContact CG2-O 3.45Å; T62-Y241 HydrophobicContact CG2-CE2 3.67Å
63	T	91.3	Very high	92.3	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.043	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-41.6	-171.1	49.2	0	0	0	0	112.4	F41 D59 L66 M67	F41-T63 HydrophobicContact CB-CG2 3.78Å; D59-T63 PolarHBondContact O-N 2.85Å; D59-T63 PolarHBondContact O-OG1 3.13Å; T63-L66 PolarHBondContact O-N 2.95Å; T63-M67 PolarHBondContact O-N 2.79Å
64	P	93.3	Very high	92.9	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-36	176.5	-20.5	36	0	0	0	113	P60 L66 M67 L68 I317 I454	P60-P64 WeakPolarHBondContact O-CD 3.49Å; P60-P64 WeakPolarHBondContact O-CG 3.47Å; P64-L66 VanDerWaalsContact C-N 3.35Å; P64-M67 PolarHBondContact O-N 3.04Å; P64-L68 WeakPolarHBondContact O-CB 3.24Å; P64-L68 PolarHBondContact O-N 3.32Å; P64-I317 HydrophobicContact CB-CD1 3.24Å; P64-I317 HydrophobicContact CB-CG1 3.92Å; P64-I317 HydrophobicContact CG-CD1 4.01Å; P64-I454 HydrophobicContact CB-CG2 4.07Å; P64-I454 HydrophobicContact CG-CG2 4.29Å
65	L	95.2	Very high	93.5	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-68.1	-36.2	177	-65.5	171.3	0	0	0	111.2	T62 L68 T69 F110 K237 Y241	T62-L65 PolarHBondContact O-N 3.49Å; L65-L68 PolarHBondContact O-N 3.46Å; L65-T69 WeakPolarHBondContact O-CB 3.47Å; L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 2.98Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 3.38Å; L65-F110 HydrophobicContact CB-CD1 3.97Å; L65-F110 HydrophobicContact CB-CD2 4.37Å; L65-F110 HydrophobicContact CB-CE1 3.97Å; L65-F110 HydrophobicContact CB-CE2 4.38Å; L65-F110 HydrophobicContact CB-CG 4.18Å; L65-F110 HydrophobicContact CB-CZ 4.17Å; L65-F110 HydrophobicContact CD1-CD1 3.87Å; L65-F110 HydrophobicContact CD1-CE1 3.66Å; L65-F110 HydrophobicContact CD1-CZ 4.47Å; L65-F110 HydrophobicContact CG-CE1 4.29Å; L65-K237 HydrophobicContact CD2-CB 3.95Å; L65-K237 HydrophobicContact CD2-CG 4.21Å; L65-Y241 HydrophobicContact CD1-CD2 3.93Å; L65-Y241 HydrophobicContact CD1-CG 4.33Å
66	L	95.1	Very high	93.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.2	-39.2	172	-74.5	165	0	0	0	112.6	M1 T62 T63 P64 T69 T70 I107 F110 T111	M1-L66 HydrophobicContact CE-CD1 4.14Å; T62-L66 WeakPolarHBondContact O-CB 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.31Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.12Å; T63-L66 PolarHBondContact O-N 2.95Å; P64-L66 VanDerWaalsContact C-N 3.35Å; L66-T69 VanDerWaalsContact CA-OG1 3.26Å; L66-T69 WeakPolarHBondContact CA-OG1 3.09Å; L66-T69 PolarHBondContact O-OG1 2.82Å; L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 2.73Å; L66-T70 VanDerWaalsContact O-N 3.12Å; L66-T70 PolarHBondContact O-OG1 3.14Å; L66-I107 HydrophobicContact CD2-CB 4.41Å; L66-I107 HydrophobicContact CD2-CG1 4.46Å; L66-I107 HydrophobicContact CD2-CG2 4.23Å; L66-F110 HydrophobicContact CD2-CB 4.03Å; L66-F110 HydrophobicContact CG-CB 4.1Å; L66-T111 HydrophobicContact CD1-CG2 3.42Å; L66-T111 VanDerWaalsContact CD1-CG2 3.42Å; L66-T111 HydrophobicContact CD2-CG2 3.79Å; L66-T111 HydrophobicContact CG-CG2 4.15Å
67	M	94.3	Very high	94	Very high	50 Å²	50	7.5 Å²	7.5	25%	0.246	4%	0.037	C	C	.	.	H	α-helix	trans	-64.3	-47.8	174	-172.9	-178.1	175.2	0	0	110.7	L39 F42 T63 P64 T69 T70 W71	L39-M67 HydrophobicContact CD2-CE 3.65Å; L39-M67 HydrophobicContact CD2-SD 4.02Å; F42-M67 HydrophobicContact CE2-SD 3.61Å; F42-M67 HydrophobicContact CZ-SD 3.49Å; F42-M67 WeakPolarHBondContact CZ-SD 3.12Å; T63-M67 PolarHBondContact O-N 2.79Å; P64-M67 PolarHBondContact O-N 3.04Å; M67-T69 PolarHBondContact O-N 3.38Å; M67-T70 PolarHBondContact O-N 2.87Å; M67-T70 PolarHBondContact O-OG1 3.02Å; M67-T70 VanDerWaalsContact O-OG1 3.13Å; M67-W71 WeakPolarHBondContact O-CB 3.45Å; M67-W71 PolarHBondContact O-N 2.84Å
68	L	96.1	Very high	94.4	Very high	8 Å²	8	9.1 Å²	9.1	4%	0.042	5%	0.045	C	C	.	.	H	α-helix	trans	-59.8	-44.5	178.4	-176.9	65.4	0	0	0	111.9	P64 L65 W71 L72 A233 L321	P64-L68 WeakPolarHBondContact O-CB 3.24Å; P64-L68 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 3.46Å; L68-W71 PolarHBondContact O-N 2.91Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 PolarHBondContact O-N 3.26Å; L68-A233 WeakPolarHBondContact CD2-O 3.15Å; L68-L321 HydrophobicContact CD1-CD2 3.55Å; L68-L321 HydrophobicContact CD1-CG 3.8Å
69	T	96.8	Very high	94.7	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.031	5%	0.046	C	C	.	.	H	α-helix	trans	-62.5	-46.4	179.4	44.6	0	0	0	0	113.2	L65 L66 M67 L72 L106 F110 V234	L65-T69 WeakPolarHBondContact O-CB 3.47Å; L65-T69 VanDerWaalsContact O-CG2 3.27Å; L65-T69 WeakPolarHBondContact O-CG2 2.98Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 3.38Å; L66-T69 VanDerWaalsContact CA-OG1 3.26Å; L66-T69 WeakPolarHBondContact CA-OG1 3.09Å; L66-T69 PolarHBondContact O-OG1 2.82Å; M67-T69 PolarHBondContact O-N 3.38Å; T69-L72 PolarHBondContact O-N 3.37Å; T69-L106 HydrophobicContact CG2-CB 4.12Å; T69-L106 HydrophobicContact CG2-CD1 4.49Å; T69-F110 HydrophobicContact CG2-CD2 3.98Å; T69-F110 HydrophobicContact CG2-CE2 3.53Å; T69-V234 HydrophobicContact CG2-CB 4.19Å; T69-V234 HydrophobicContact CG2-CG1 3.38Å; T69-V234 HydrophobicContact CG2-CG2 3.69Å
70	T	96.3	Very high	95.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-72.3	-34.2	-179.4	54.8	0	0	0	0	112.6	L4 I34 P38 L66 M67 L72 P74 I107	L4-T70 HydrophobicContact CD1-CG2 4.1Å; L4-T70 HydrophobicContact CD2-CG2 3.87Å; L4-T70 HydrophobicContact CG-CG2 4.36Å; I34-T70 HydrophobicContact CG2-CG2 4.47Å; P38-T70 HydrophobicContact CG-CG2 4.08Å; P38-T70 WeakPolarHBondContact CG-OG1 3.29Å; L66-T70 WeakPolarHBondContact O-CG2 3.34Å; L66-T70 PolarHBondContact O-N 2.73Å; L66-T70 VanDerWaalsContact O-N 3.12Å; L66-T70 PolarHBondContact O-OG1 3.14Å; M67-T70 PolarHBondContact O-N 2.87Å; M67-T70 PolarHBondContact O-OG1 3.02Å; M67-T70 VanDerWaalsContact O-OG1 3.13Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-P74 WeakPolarHBondContact O-CD 3.39Å; T70-I107 HydrophobicContact CG2-CD1 4.25Å; T70-I107 HydrophobicContact CG2-CG1 4.32Å
71	W	97.3	Very high	95.3	Very high	46 Å²	46	10.9 Å²	10.9	17%	0.174	5%	0.052	C	C	.	.	H	α-helix	trans	-62.6	-40.4	171.6	-175	-111.7	0	0	0	111.8	L32 M67 L68 L73 P74 L75 M439 P443	L32-W71 HydrophobicContact CD2-CZ3 4.43Å; M67-W71 WeakPolarHBondContact O-CB 3.45Å; M67-W71 PolarHBondContact O-N 2.84Å; L68-W71 PolarHBondContact O-N 2.91Å; W71-L73 PolarHBondContact O-N 3.5Å; W71-P74 WeakPolarHBondContact O-CD 3.47Å; W71-P74 VanDerWaalsContact O-CG 3.24Å; W71-P74 WeakPolarHBondContact O-CG 3.38Å; W71-L75 HydrophobicContact CD2-CD1 4.08Å; W71-L75 HydrophobicContact CG-CD1 4.15Å; W71-L75 HydrophobicContact CZ2-CD1 4.27Å; W71-L75 WeakPolarHBondContact O-CD1 3.4Å; W71-M439 HydrophobicContact CH2-SD 3.68Å; W71-M439 HydrophobicContact CZ2-CB 4.06Å; W71-M439 HydrophobicContact CZ2-CG 4.49Å; W71-M439 WeakPolarHBondContact CZ2-O 3.22Å; W71-M439 HydrophobicContact CZ2-SD 3.76Å; W71-M439 PolarHBondContact NE1-O 3.15Å; W71-M439 VanDerWaalsContact NE1-O 3.1Å; W71-P443 HydrophobicContact CZ2-CG 4.04Å
72	L	97.3	Very high	95.4	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-68.4	-29.2	-172.8	-162.3	74.9	0	0	0	114.2	L68 T69 T70 L75 T76 M229 V230 A233 V234	L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 PolarHBondContact O-N 3.26Å; T69-L72 PolarHBondContact O-N 3.37Å; T70-L72 VanDerWaalsContact C-N 3.34Å; L72-L75 PolarHBondContact O-N 2.89Å; L72-T76 HydrophobicContact CD2-CG2 4.3Å; L72-T76 HydrophobicContact CG-CG2 3.87Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.49Å; L72-T76 PolarHBondContact O-N 2.92Å; L72-T76 PolarHBondContact O-OG1 3.43Å; L72-M229 HydrophobicContact CD1-CE 4.34Å; L72-V230 HydrophobicContact CD2-CB 4.24Å; L72-V230 HydrophobicContact CD2-CG2 3.88Å; L72-A233 HydrophobicContact CD1-CB 3.95Å; L72-A233 HydrophobicContact CD2-CB 3.62Å; L72-A233 HydrophobicContact CG-CB 4.43Å; L72-V234 HydrophobicContact CD2-CG2 4.05Å
73	L	97.3	Very high	95.3	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-55.6	-57.6	-178.4	-173	86.4	0	0	0	112.3	L11 W71 L75 T76 I77 L99 I100 Q103	L11-L73 HydrophobicContact CD1-CD2 3.69Å; W71-L73 PolarHBondContact O-N 3.5Å; L73-L75 PolarHBondContact O-N 3.25Å; L73-T76 PolarHBondContact O-N 3.28Å; L73-T76 VanDerWaalsContact O-N 3.12Å; L73-T76 PolarHBondContact O-OG1 3.33Å; L73-I77 HydrophobicContact CD1-CD1 4.49Å; L73-I77 HydrophobicContact CD2-CD1 3.92Å; L73-I77 HydrophobicContact CG-CD1 3.84Å; L73-I77 HydrophobicContact CG-CG1 4.41Å; L73-I77 WeakPolarHBondContact O-CG1 3.47Å; L73-I77 PolarHBondContact O-N 2.98Å; L73-L99 HydrophobicContact CD1-CB 4.04Å; L73-I100 HydrophobicContact CD1-CG1 4.48Å; L73-I100 HydrophobicContact CD2-CG1 4.39Å; L73-Q103 VanDerWaalsContact CB-OE1 3.3Å; L73-Q103 HydrophobicContact CD1-CB 4.13Å; L73-Q103 VanDerWaalsContact CG-OE1 3.25Å
74	P	97.4	Very high	95.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-36.8	179.5	17.9	-29	0	0	0	112.9	S31 L32 T70 W71 I77 M78	S31-P74 WeakPolarHBondContact OG-CB 3.43Å; L32-P74 HydrophobicContact CD2-CB 3.71Å; L32-P74 HydrophobicContact CD2-CG 3.66Å; L32-P74 HydrophobicContact CG-CB 3.68Å; L32-P74 HydrophobicContact CG-CG 4.01Å; T70-P74 WeakPolarHBondContact O-CD 3.39Å; W71-P74 WeakPolarHBondContact O-CD 3.47Å; W71-P74 VanDerWaalsContact O-CG 3.24Å; W71-P74 WeakPolarHBondContact O-CG 3.38Å; P74-I77 PolarHBondContact O-N 3.12Å; P74-M78 WeakPolarHBondContact O-CG 3.46Å; P74-M78 PolarHBondContact O-N 2.9Å
75	L	97.6	Very high	95.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-42.8	177.3	-74.2	85.1	0	0	0	111.6	W71 L72 L73 I77 M78 A79 M229 M439 H440	W71-L75 HydrophobicContact CD2-CD1 4.08Å; W71-L75 HydrophobicContact CG-CD1 4.15Å; W71-L75 HydrophobicContact CZ2-CD1 4.27Å; W71-L75 WeakPolarHBondContact O-CD1 3.4Å; L72-L75 PolarHBondContact O-N 2.89Å; L73-L75 PolarHBondContact O-N 3.25Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.33Å; L75-M78 PolarHBondContact O-N 2.86Å; L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 3.05Å; L75-M229 HydrophobicContact CB-CE 3.92Å; L75-M439 HydrophobicContact CD1-CB 4.44Å; L75-M439 HydrophobicContact CD2-CB 3.93Å; L75-M439 HydrophobicContact CG-CB 4.2Å; L75-H440 VanDerWaalsContact CD2-CD2 3.46Å; L75-H440 WeakPolarHBondContact CD2-CD2 3.46Å; L75-H440 VanDerWaalsContact CD2-CE1 3.41Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.41Å; L75-H440 VanDerWaalsContact CD2-NE2 3.32Å; L75-H440 WeakPolarHBondContact CD2-NE2 3.41Å
76	T	96.9	Very high	95.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-35.2	177.1	62.5	0	0	0	0	112.6	L72 L73 A79 S80 A226 M229 V230	L72-T76 HydrophobicContact CD2-CG2 4.3Å; L72-T76 HydrophobicContact CG-CG2 3.87Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.49Å; L72-T76 PolarHBondContact O-N 2.92Å; L72-T76 PolarHBondContact O-OG1 3.43Å; L73-T76 PolarHBondContact O-N 3.28Å; L73-T76 VanDerWaalsContact O-N 3.12Å; L73-T76 PolarHBondContact O-OG1 3.33Å; T76-A79 PolarHBondContact O-N 3.15Å; T76-S80 WeakPolarHBondContact O-CB 3.24Å; T76-S80 PolarHBondContact O-N 2.91Å; T76-S80 VanDerWaalsContact O-N 3.15Å; T76-S80 PolarHBondContact O-OG 2.99Å; T76-A226 HydrophobicContact CG2-CB 4.33Å; T76-M229 HydrophobicContact CG2-CB 3.95Å; T76-M229 HydrophobicContact CG2-CE 3.94Å; T76-M229 HydrophobicContact CG2-SD 3.99Å; T76-V230 HydrophobicContact CG2-CG2 3.75Å
77	I	96.8	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-47.1	174.2	-64.1	170.3	0	0	0	109.5	W24 T28 L73 P74 L75 A79 S80 Q81 L96 L99	W24-I77 HydrophobicContact CE3-CG2 3.55Å; W24-I77 HydrophobicContact CZ3-CG2 3.87Å; T28-I77 HydrophobicContact CG2-CB 3.94Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; L73-I77 HydrophobicContact CD1-CD1 4.49Å; L73-I77 HydrophobicContact CD2-CD1 3.92Å; L73-I77 HydrophobicContact CG-CD1 3.84Å; L73-I77 HydrophobicContact CG-CG1 4.41Å; L73-I77 WeakPolarHBondContact O-CG1 3.47Å; L73-I77 PolarHBondContact O-N 2.98Å; P74-I77 PolarHBondContact O-N 3.12Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.33Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.29Å; I77-S80 PolarHBondContact O-N 3.06Å; I77-S80 PolarHBondContact O-OG 2.7Å; I77-Q81 VanDerWaalsContact O-CG 3.32Å; I77-Q81 WeakPolarHBondContact O-CG 3.45Å; I77-Q81 PolarHBondContact O-N 2.9Å; I77-L96 HydrophobicContact CB-CD2 4.5Å; I77-L96 HydrophobicContact CD1-CD2 4.3Å; I77-L96 HydrophobicContact CG1-CD2 3.87Å; I77-L96 HydrophobicContact CG2-CD2 3.96Å; I77-L99 HydrophobicContact CG1-CD1 4.47Å
78	M	96.6	Very high	95.2	Very high	35 Å²	35	31 Å²	31	17%	0.172	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-41.2	175.2	-71.6	-176.5	-175.2	0	0	112	T28 L32 P74 L75 S80 R432 L436	T28-M78 HydrophobicContact CG2-CG 4.13Å; L32-M78 HydrophobicContact CD1-CE 4.36Å; P74-M78 WeakPolarHBondContact O-CG 3.46Å; P74-M78 PolarHBondContact O-N 2.9Å; L75-M78 PolarHBondContact O-N 2.86Å; M78-S80 PolarHBondContact O-N 2.99Å; M78-R432 WeakPolarHBondContact O-CD 3.37Å; M78-R432 PolarHBondContact O-NH1 3.09Å; M78-L436 HydrophobicContact CB-CD1 4.34Å
79	A	96.3	Very high	95.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-41.5	-178.3	0	0	0	0	0	112.9	L75 T76 I77 I225 M229 R432 L436	L75-A79 WeakPolarHBondContact O-CB 3.44Å; L75-A79 PolarHBondContact O-N 3.05Å; T76-A79 PolarHBondContact O-N 3.15Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.29Å; A79-I225 HydrophobicContact CB-CG1 3.91Å; A79-I225 HydrophobicContact CB-CG2 3.86Å; A79-M229 HydrophobicContact CB-CE 4.37Å; A79-M229 HydrophobicContact CB-SD 3.57Å; A79-M229 VanDerWaalsContact CB-SD 3.57Å; A79-R432 PolarHBondContact O-NH1 3.12Å; A79-L436 HydrophobicContact CB-CD1 3.6Å
80	S	95.2	Very high	95.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-86.6	-16.1	-168.6	55	0	0	0	0	115.1	T76 I77 M78 R82 L84 Y95	T76-S80 WeakPolarHBondContact O-CB 3.24Å; T76-S80 PolarHBondContact O-N 2.91Å; T76-S80 VanDerWaalsContact O-N 3.15Å; T76-S80 PolarHBondContact O-OG 2.99Å; I77-S80 PolarHBondContact O-N 3.06Å; I77-S80 PolarHBondContact O-OG 2.7Å; M78-S80 PolarHBondContact O-N 2.99Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 2.87Å; S80-L84 PolarHBondContact O-N 3.03Å; S80-Y95 WeakPolarHBondContact CB-OH 3.45Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.31Å
81	Q	92.9	Very high	95.1	Very high	51 Å²	51	41.1 Å²	41.1	24%	0.238	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-41.4	-177.3	-82.5	165.9	22.7	0	0	114.3	W24 I77 S85	W24-Q81 HydrophobicContact CB-CG 4.23Å; W24-Q81 HydrophobicContact CD2-CG 3.44Å; W24-Q81 VanDerWaalsContact CD2-CG 3.44Å; W24-Q81 HydrophobicContact CE3-CB 4.5Å; W24-Q81 HydrophobicContact CE3-CG 3.27Å; W24-Q81 HydrophobicContact CG-CG 3.87Å; W24-Q81 HydrophobicContact CH2-CG 4.3Å; W24-Q81 HydrophobicContact CZ2-CG 4.45Å; W24-Q81 HydrophobicContact CZ3-CG 3.72Å; I77-Q81 VanDerWaalsContact O-CG 3.32Å; I77-Q81 WeakPolarHBondContact O-CG 3.45Å; I77-Q81 PolarHBondContact O-N 2.9Å; Q81-S85 PolarHBondContact O-N 3.19Å
82	R	91.8	Very high	95.1	Very high	121 Å²	121	40.3 Å²	40.3	46%	0.457	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-51.4	-172.7	-177.9	60.5	-179.4	-179	9.8	111.8	S80 L84 S85 E335	S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 2.87Å; R82-L84 VanDerWaalsContact C-N 3.26Å; R82-L84 PolarHBondContact O-N 3.11Å; R82-S85 WeakPolarHBondContact O-CB 3.46Å; R82-S85 PolarHBondContact O-N 2.85Å; R82-S85 PolarHBondContact O-OG 3Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.47Å
83	H	90.1	Very high	95	Very high	75 Å²	75	41.4 Å²	41.4	35%	0.347	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.4	-34.6	179.8	175.2	64.7	0	0	0	112	S85 N138	H83-S85 VanDerWaalsContact C-N 3.26Å; H83-S85 PolarHBondContact O-N 3.26Å; H83-N138 PolarHBondContact CE1-OD1 3.17Å; H83-N138 PolarHBondContact NE2-OD1 3.37Å
84	L	93.8	Very high	95.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-80.7	2.8	179.1	-68.1	169.3	0	0	0	113.8	W24 S80 R82 S86 E87 K92 Y95 W136	W24-L84 HydrophobicContact CH2-CB 4.43Å; W24-L84 HydrophobicContact CH2-CD1 3.8Å; W24-L84 HydrophobicContact CZ2-CB 4.28Å; W24-L84 HydrophobicContact CZ2-CD1 4.39Å; S80-L84 PolarHBondContact O-N 3.03Å; R82-L84 VanDerWaalsContact C-N 3.26Å; R82-L84 PolarHBondContact O-N 3.11Å; L84-S86 PolarHBondContact O-N 3.37Å; L84-E87 HydrophobicContact CD2-CG 3.9Å; L84-E87 PolarHBondContact O-N 3.13Å; L84-E87 VanDerWaalsContact O-N 3.1Å; L84-K92 WeakPolarHBondContact O-CE 3.42Å; L84-K92 PolarHBondContact O-NZ 3.39Å; L84-Y95 HydrophobicContact CD1-CD1 3.27Å; L84-Y95 HydrophobicContact CD1-CD2 4.17Å; L84-Y95 HydrophobicContact CD1-CE1 3.37Å; L84-Y95 HydrophobicContact CD1-CE2 4.23Å; L84-Y95 HydrophobicContact CD1-CG 3.66Å; L84-W136 HydrophobicContact CD2-CG 4.47Å
85	S	91.4	Very high	95.1	Very high	74 Å²	74	44.6 Å²	44.6	52%	0.517	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.5	-33.7	-173.2	64.8	0	0	0	0	113.5	Q81 R82 H83 K92	Q81-S85 PolarHBondContact O-N 3.19Å; R82-S85 WeakPolarHBondContact O-CB 3.46Å; R82-S85 PolarHBondContact O-N 2.85Å; R82-S85 PolarHBondContact O-OG 3Å; R82-S85 VanDerWaalsContact O-OG 3.07Å; H83-S85 VanDerWaalsContact C-N 3.26Å; H83-S85 PolarHBondContact O-N 3.26Å; S85-K92 PolarHBondContact O-NZ 3.43Å
86	S	91.6	Very high	95.1	Very high	104 Å²	104	44.5 Å²	44.5	73%	0.727	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-80.5	-15.8	179.7	51.6	0	0	0	0	114.5	L84	L84-S86 PolarHBondContact O-N 3.37Å
87	E	94.1	Very high	95.1	Very high	53 Å²	53	45.2 Å²	45.2	25%	0.248	24%	0.239	C	C	.	.	S	Bend	trans	-71.5	148.9	-176.5	-74	-69.6	151.1	0	0	112.4	L84 R91 K92	L84-E87 HydrophobicContact CD2-CG 3.9Å; L84-E87 PolarHBondContact O-N 3.13Å; L84-E87 VanDerWaalsContact O-N 3.1Å; E87-R91 WeakPolarHBondContact OE2-CD 3.39Å; E87-R91 IonicContact OE2-CZ 2.99Å; E87-R91 IonicContact OE2-NE 2.92Å; E87-R91 IonicContact OE2-NH1 2.87Å; E87-R91 PolarHBondContact OE2-NH1 3.42Å; E87-R91 VanDerWaalsContact OE2-NH1 3.11Å; E87-K92 HydrophobicContact CB-CG 4.22Å; E87-K92 WeakPolarHBondContact O-CE 3.38Å; E87-K92 PolarHBondContact O-NZ 3.07Å
88	P	95.8	Very high	95.2	Very high	61 Å²	61	47.8 Å²	47.8	40%	0.396	25%	0.252	S	S	.	.			trans	-63.9	156	174.1	29	-35.1	0	0	0	111.4	S90 R91 K92	P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.13Å; P88-R91 HydrophobicContact CG-CB 4.04Å; P88-R91 HydrophobicContact CG-CG 3.81Å; P88-R91 PolarHBondContact O-N 3.5Å; P88-R91 VanDerWaalsContact O-N 3.12Å; P88-K92 PolarHBondContact O-N 3.3Å; P88-K92 VanDerWaalsContact O-N 3.08Å
89	L	95.4	Very high	95.3	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-57.8	-42.4	-172	-172.1	60.8	0	0	0	113.4	K20 I23 R91 K92 K93	K20-L89 HydrophobicContact CB-CD1 4.19Å; K20-L89 HydrophobicContact CB-CD2 4.18Å; K20-L89 HydrophobicContact CG-CD1 3.81Å; K20-L89 HydrophobicContact CG-CD2 4.32Å; I23-L89 HydrophobicContact CD1-CD1 3.26Å; I23-L89 HydrophobicContact CD1-CG 4.24Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.26Å; L89-K92 PolarHBondContact O-N 3.32Å; L89-K93 PolarHBondContact O-N 3.39Å
90	S	96.3	Very high	95.3	Very high	65 Å²	65	46.3 Å²	46.3	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-42.2	179	53.6	0	0	0	0	111.7	P88 K93 L94	P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.13Å; S90-K93 PolarHBondContact O-N 3.42Å; S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 WeakPolarHBondContact O-CG 3.47Å; S90-L94 PolarHBondContact O-N 3.42Å
91	R	95.9	Very high	95.5	Very high	97 Å²	97	48 Å²	48	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-70.1	-34.8	178	-67.8	-177.7	-169.9	173.8	2.8	112.6	E87 P88 L89 L94 Y95	E87-R91 WeakPolarHBondContact OE2-CD 3.39Å; E87-R91 IonicContact OE2-CZ 2.99Å; E87-R91 IonicContact OE2-NE 2.92Å; E87-R91 IonicContact OE2-NH1 2.87Å; E87-R91 PolarHBondContact OE2-NH1 3.42Å; E87-R91 VanDerWaalsContact OE2-NH1 3.11Å; P88-R91 HydrophobicContact CG-CB 4.04Å; P88-R91 HydrophobicContact CG-CG 3.81Å; P88-R91 PolarHBondContact O-N 3.5Å; P88-R91 VanDerWaalsContact O-N 3.12Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 3.26Å; R91-L94 PolarHBondContact O-N 2.95Å; R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 2.83Å
92	K	96.2	Very high	95.7	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.13	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-45.9	170.6	-72.5	171	172.3	149.7	0	111.6	W24 L84 S85 E87 P88 L89 Y95 L96	W24-K92 HydrophobicContact CZ2-CB 4.45Å; W24-K92 HydrophobicContact CZ2-CG 4.3Å; L84-K92 WeakPolarHBondContact O-CE 3.42Å; L84-K92 PolarHBondContact O-NZ 3.39Å; S85-K92 PolarHBondContact O-NZ 3.43Å; E87-K92 HydrophobicContact CB-CG 4.22Å; E87-K92 WeakPolarHBondContact O-CE 3.38Å; E87-K92 PolarHBondContact O-NZ 3.07Å; P88-K92 PolarHBondContact O-N 3.3Å; P88-K92 VanDerWaalsContact O-N 3.08Å; L89-K92 PolarHBondContact O-N 3.32Å; K92-Y95 PolarHBondContact O-N 3.36Å; K92-L96 PolarHBondContact O-N 2.84Å; K92-L96 VanDerWaalsContact O-N 3.11Å
93	K	96.8	Very high	96	Very high	26 Å²	26	40.2 Å²	40.2	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-43.9	176	-71.9	-177.5	172.2	-171.9	0	111.7	T15 W16 S18 I23 L89 S90 Y95 L96 S97	T15-K93 VanDerWaalsContact O-CE 3.24Å; T15-K93 WeakPolarHBondContact O-CE 3.28Å; W16-K93 HydrophobicContact CD2-CB 4.46Å; W16-K93 HydrophobicContact CD2-CD 4.46Å; W16-K93 HydrophobicContact CE3-CB 4.45Å; W16-K93 HydrophobicContact CE3-CD 4.06Å; W16-K93 HydrophobicContact CH2-CB 4.49Å; W16-K93 HydrophobicContact CZ2-CB 4.48Å; W16-K93 HydrophobicContact CZ3-CB 4.47Å; W16-K93 PolarHBondContact O-NZ 3.09Å; S18-K93 PolarHBondContact O-NZ 3.04Å; I23-K93 HydrophobicContact CD1-CD 4.35Å; I23-K93 VanDerWaalsContact CD1-CE 3.41Å; I23-K93 HydrophobicContact CD1-CG 3.99Å; L89-K93 PolarHBondContact O-N 3.39Å; S90-K93 PolarHBondContact O-N 3.42Å; K93-Y95 PolarHBondContact O-N 3.47Å; K93-L96 PolarHBondContact O-N 2.75Å; K93-S97 WeakPolarHBondContact O-CB 3.41Å; K93-S97 PolarHBondContact O-N 2.83Å; K93-S97 PolarHBondContact O-OG 3.47Å
94	L	97.8	Very high	96.3	Very high	74 Å²	74	38 Å²	38	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-44.6	175.6	-75	167.2	0	0	0	112	W16 S90 R91 L96 S97 M98 W136	W16-L94 HydrophobicContact CH2-CD2 4.05Å; W16-L94 HydrophobicContact CH2-CG 4.2Å; W16-L94 HydrophobicContact CZ2-CD2 3.87Å; W16-L94 HydrophobicContact CZ2-CG 4.28Å; S90-L94 WeakPolarHBondContact O-CB 3.48Å; S90-L94 WeakPolarHBondContact O-CG 3.47Å; S90-L94 PolarHBondContact O-N 3.42Å; R91-L94 PolarHBondContact O-N 2.95Å; L94-L96 PolarHBondContact O-N 3.16Å; L94-S97 WeakPolarHBondContact CA-OG 3.31Å; L94-S97 PolarHBondContact O-N 3.37Å; L94-S97 PolarHBondContact O-OG 2.86Å; L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.43Å; L94-W136 HydrophobicContact CB-CH2 4.37Å; L94-W136 HydrophobicContact CB-CZ2 4.34Å
95	Y	97.7	Very high	96.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-47.3	176.5	-176.7	-99.5	0	0	0	112.3	S80 L84 R91 K92 K93 S97 M98 L99 I132 W136 P224 A226	S80-Y95 WeakPolarHBondContact CB-OH 3.45Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.31Å; L84-Y95 HydrophobicContact CD1-CD1 3.27Å; L84-Y95 HydrophobicContact CD1-CD2 4.17Å; L84-Y95 HydrophobicContact CD1-CE1 3.37Å; L84-Y95 HydrophobicContact CD1-CE2 4.23Å; L84-Y95 HydrophobicContact CD1-CG 3.66Å; R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 2.83Å; K92-Y95 PolarHBondContact O-N 3.36Å; K93-Y95 PolarHBondContact O-N 3.47Å; Y95-S97 VanDerWaalsContact C-N 3.35Å; Y95-S97 PolarHBondContact O-N 2.97Å; Y95-M98 WeakPolarHBondContact O-CB 3.35Å; Y95-M98 PolarHBondContact O-N 3.43Å; Y95-L99 HydrophobicContact CD1-CD1 3.94Å; Y95-L99 HydrophobicContact CD1-CG 4.5Å; Y95-L99 HydrophobicContact CE1-CD1 3.48Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.48Å; Y95-L99 HydrophobicContact CE1-CG 4.21Å; Y95-L99 PolarHBondContact O-N 3.22Å; Y95-I132 HydrophobicContact CE2-CG2 4.22Å; Y95-W136 HydrophobicContact CD2-CB 4.34Å; Y95-W136 AromaticContact CD2-CD2 3.45Å; Y95-W136 HydrophobicContact CD2-CD2 3.45Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.45Å; Y95-W136 AromaticContact CD2-CE2 3.64Å; Y95-W136 AromaticContact CD2-CE3 3.73Å; Y95-W136 HydrophobicContact CD2-CE3 3.73Å; Y95-W136 AromaticContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CH2 4.29Å; Y95-W136 HydrophobicContact CD2-CZ2 4.08Å; Y95-W136 HydrophobicContact CD2-CZ3 4.14Å; Y95-W136 HydrophobicContact CE2-CB 4.15Å; Y95-W136 HydrophobicContact CE2-CD2 4.11Å; Y95-W136 HydrophobicContact CE2-CE3 4.32Å; Y95-W136 HydrophobicContact CE2-CG 4.06Å; Y95-W136 HydrophobicContact CG-CD2 4.44Å; Y95-W136 HydrophobicContact CG-CZ2 4.38Å; Y95-P224 HydrophobicContact CE2-CG 4.4Å; Y95-A226 HydrophobicContact CE1-CB 4.46Å; Y95-A226 WeakPolarHBondContact OH-CB 3.33Å
96	L	97.5	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-40.8	176.3	-71.9	170	0	0	0	111.8	T15 I23 W24 T27 I77 K92 K93 L94 M98 L99 I100	T15-L96 HydrophobicContact CG2-CB 4.22Å; I23-L96 HydrophobicContact CG2-CD1 3.38Å; W24-L96 HydrophobicContact CD2-CD1 4.49Å; W24-L96 HydrophobicContact CE3-CD1 4.19Å; W24-L96 HydrophobicContact CE3-CD2 4.02Å; W24-L96 HydrophobicContact CH2-CD1 4.47Å; W24-L96 HydrophobicContact CH2-CD2 4.27Å; W24-L96 HydrophobicContact CH2-CG 4.34Å; W24-L96 HydrophobicContact CZ3-CD1 4.21Å; W24-L96 HydrophobicContact CZ3-CD2 3.6Å; W24-L96 HydrophobicContact CZ3-CG 4.1Å; T27-L96 HydrophobicContact CG2-CD1 4.41Å; I77-L96 HydrophobicContact CB-CD2 4.5Å; I77-L96 HydrophobicContact CD1-CD2 4.3Å; I77-L96 HydrophobicContact CG1-CD2 3.87Å; I77-L96 HydrophobicContact CG2-CD2 3.96Å; K92-L96 PolarHBondContact O-N 2.84Å; K92-L96 VanDerWaalsContact O-N 3.11Å; K93-L96 PolarHBondContact O-N 2.75Å; L94-L96 PolarHBondContact O-N 3.16Å; L96-M98 VanDerWaalsContact C-N 3.27Å; L96-M98 PolarHBondContact O-N 3.33Å; L96-L99 PolarHBondContact O-N 3.4Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.5Å; L96-I100 PolarHBondContact O-N 2.97Å
97	S	98	Very high	97	Very high	16 Å²	16	30.2 Å²	30.2	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-32.1	175.5	71.2	0	0	0	0	112.9	K93 L94 Y95 S101	K93-S97 WeakPolarHBondContact O-CB 3.41Å; K93-S97 PolarHBondContact O-N 2.83Å; K93-S97 PolarHBondContact O-OG 3.47Å; L94-S97 WeakPolarHBondContact CA-OG 3.31Å; L94-S97 PolarHBondContact O-N 3.37Å; L94-S97 PolarHBondContact O-OG 2.86Å; Y95-S97 VanDerWaalsContact C-N 3.35Å; Y95-S97 PolarHBondContact O-N 2.97Å; S97-S101 WeakPolarHBondContact O-CB 3.35Å; S97-S101 PolarHBondContact O-N 2.68Å; S97-S101 PolarHBondContact O-OG 2.86Å
98	M	98.1	Very high	97.1	Very high	53 Å²	53	29 Å²	29	26%	0.261	16%	0.155	S	C	.	.	H	α-helix	trans	-69	-41.4	172.9	-71.4	-62.3	-161.3	0	0	111.9	L94 Y95 L96 S101 L102 P128 A131 I132 W136	L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.43Å; Y95-M98 WeakPolarHBondContact O-CB 3.35Å; Y95-M98 PolarHBondContact O-N 3.43Å; L96-M98 VanDerWaalsContact C-N 3.27Å; L96-M98 PolarHBondContact O-N 3.33Å; M98-S101 WeakPolarHBondContact CA-OG 3.19Å; M98-S101 PolarHBondContact O-OG 3.35Å; M98-L102 VanDerWaalsContact O-CB 3.27Å; M98-L102 WeakPolarHBondContact O-CB 3.14Å; M98-L102 PolarHBondContact O-N 3.09Å; M98-P128 WeakPolarHBondContact O-CB 3.48Å; M98-P128 HydrophobicContact SD-CB 4.25Å; M98-A131 HydrophobicContact CE-CB 3.43Å; M98-A131 VanDerWaalsContact CE-CB 3.43Å; M98-A131 HydrophobicContact SD-CB 4.1Å; M98-I132 HydrophobicContact CB-CD1 4.13Å; M98-I132 HydrophobicContact CB-CG1 3.94Å; M98-W136 HydrophobicContact CG-CH2 4.28Å; M98-W136 HydrophobicContact CG-CZ3 4.28Å
99	L	97.9	Very high	97.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-40.5	173.9	-68.8	175.8	0	0	0	112.2	L73 I77 Y95 L96 L102 Q103 I132 A226	L73-L99 HydrophobicContact CD1-CB 4.04Å; I77-L99 HydrophobicContact CG1-CD1 4.47Å; Y95-L99 HydrophobicContact CD1-CD1 3.94Å; Y95-L99 HydrophobicContact CD1-CG 4.5Å; Y95-L99 HydrophobicContact CE1-CD1 3.48Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.48Å; Y95-L99 HydrophobicContact CE1-CG 4.21Å; Y95-L99 PolarHBondContact O-N 3.22Å; L96-L99 PolarHBondContact O-N 3.4Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-Q103 PolarHBondContact O-N 3.31Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.37Å; L99-A226 HydrophobicContact CD1-CB 4.17Å; L99-A226 HydrophobicContact CD2-CB 3.87Å
100	I	98	Very high	97.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-45	179	-68.6	159.1	0	0	0	111.1	T8 L11 L12 T15 L73 L96 L102 Q103 I104	T8-I100 WeakPolarHBondContact O-CG2 3.48Å; L11-I100 HydrophobicContact CB-CD1 3.67Å; L11-I100 HydrophobicContact CB-CG1 4.06Å; L11-I100 HydrophobicContact CB-CG2 3.94Å; L11-I100 HydrophobicContact CD1-CG1 4.2Å; L12-I100 HydrophobicContact CD2-CB 4.13Å; L12-I100 HydrophobicContact CD2-CG2 3.86Å; L12-I100 HydrophobicContact CG-CG2 3.89Å; T15-I100 HydrophobicContact CG2-CD1 3.28Å; L73-I100 HydrophobicContact CD1-CG1 4.48Å; L73-I100 HydrophobicContact CD2-CG1 4.39Å; L96-I100 WeakPolarHBondContact O-CD1 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.29Å; L96-I100 WeakPolarHBondContact O-CG1 3.5Å; L96-I100 PolarHBondContact O-N 2.97Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 3.15Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 3.87Å; I100-I104 HydrophobicContact CG2-CG1 4.45Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.44Å; I100-I104 PolarHBondContact O-N 2.99Å
101	S	98	Very high	97.1	Very high	37 Å²	37	20 Å²	20	26%	0.259	10%	0.099	S	C	.	.	H	α-helix	trans	-62.6	-37.6	175.4	55.6	0	0	0	0	112.1	S97 M98 I104 S105	S97-S101 WeakPolarHBondContact O-CB 3.35Å; S97-S101 PolarHBondContact O-N 2.68Å; S97-S101 PolarHBondContact O-OG 2.86Å; M98-S101 WeakPolarHBondContact CA-OG 3.19Å; M98-S101 PolarHBondContact O-OG 3.35Å; S101-I104 PolarHBondContact O-N 2.92Å; S101-S105 PolarHBondContact O-N 3.26Å; S101-S105 PolarHBondContact O-OG 3.31Å
102	L	97.8	Very high	97.1	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-59.1	-48.8	171	-175.4	53.7	0	0	0	111.2	M98 L99 I100 I104 S105 L106 P128 T129 I132 V230 L235	M98-L102 VanDerWaalsContact O-CB 3.27Å; M98-L102 WeakPolarHBondContact O-CB 3.14Å; M98-L102 PolarHBondContact O-N 3.09Å; L99-L102 WeakPolarHBondContact O-CB 3.41Å; L99-L102 PolarHBondContact O-N 3.28Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 3.15Å; L102-I104 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-N 3.41Å; L102-S105 PolarHBondContact O-OG 2.86Å; L102-L106 HydrophobicContact CD1-CD1 4.14Å; L102-L106 HydrophobicContact CD1-CG 4.29Å; L102-L106 HydrophobicContact CG-CD1 3.94Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 2.97Å; L102-P128 HydrophobicContact CB-CB 3.88Å; L102-P128 HydrophobicContact CB-CG 4.36Å; L102-P128 HydrophobicContact CD1-CB 4.41Å; L102-T129 HydrophobicContact CD1-CG2 3.5Å; L102-T129 VanDerWaalsContact CD1-CG2 3.5Å; L102-T129 HydrophobicContact CD2-CG2 3.57Å; L102-T129 HydrophobicContact CG-CG2 4.18Å; L102-I132 HydrophobicContact CD2-CD1 4.28Å; L102-V230 HydrophobicContact CD2-CB 4.11Å; L102-V230 HydrophobicContact CD2-CG1 3.51Å; L102-V230 HydrophobicContact CD2-CG2 4.32Å; L102-V230 HydrophobicContact CG-CG1 4.16Å; L102-L235 HydrophobicContact CD1-CD2 4.49Å
103	Q	97.3	Very high	96.9	Very high	7 Å²	7	14 Å²	14	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-43.8	177.7	-167.9	-168.5	-3.8	0	0	112.2	L73 L99 I100 S105 L106 I107	L73-Q103 VanDerWaalsContact CB-OE1 3.3Å; L73-Q103 HydrophobicContact CD1-CB 4.13Å; L73-Q103 VanDerWaalsContact CG-OE1 3.25Å; L99-Q103 PolarHBondContact O-N 3.31Å; I100-Q103 PolarHBondContact O-N 3.15Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-S105 VanDerWaalsContact C-N 3.35Å; Q103-S105 PolarHBondContact O-N 2.91Å; Q103-L106 PolarHBondContact O-N 2.95Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.45Å; Q103-I107 WeakPolarHBondContact O-CD1 3.36Å; Q103-I107 WeakPolarHBondContact O-CG1 3.37Å; Q103-I107 PolarHBondContact O-N 2.91Å
104	I	97.4	Very high	96.8	Very high	29 Å²	29	15.2 Å²	15.2	15%	0.149	8%	0.082	C	C	.	.	H	α-helix	trans	-57.1	-50.2	176.2	-66.6	160.7	0	0	0	109.7	I9 L12 I100 S101 L102 L106 I107 M108	I9-I104 HydrophobicContact CG1-CD1 3.9Å; I9-I104 HydrophobicContact CG1-CG1 4.33Å; I9-I104 HydrophobicContact CG1-CG2 4.47Å; L12-I104 HydrophobicContact CD1-CD1 4.29Å; I100-I104 HydrophobicContact CG2-CD1 3.87Å; I100-I104 HydrophobicContact CG2-CG1 4.45Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.44Å; I100-I104 PolarHBondContact O-N 2.99Å; S101-I104 PolarHBondContact O-N 2.92Å; L102-I104 PolarHBondContact O-N 3.44Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.5Å; I104-I107 PolarHBondContact O-N 3.01Å; I104-M108 WeakPolarHBondContact O-CG 3.38Å; I104-M108 PolarHBondContact O-N 3.42Å; I104-M108 VanDerWaalsContact O-N 3.14Å
105	S	97.6	Very high	96.7	Very high	9 Å²	9	11.8 Å²	11.8	6%	0.063	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-43.4	178	66.5	0	0	0	0	111.8	S101 L102 Q103 M108 T109 T125	S101-S105 PolarHBondContact O-N 3.26Å; S101-S105 PolarHBondContact O-OG 3.31Å; L102-S105 PolarHBondContact O-N 3.41Å; L102-S105 PolarHBondContact O-OG 2.86Å; Q103-S105 VanDerWaalsContact C-N 3.35Å; Q103-S105 PolarHBondContact O-N 2.91Å; S105-M108 PolarHBondContact O-N 3.08Å; S105-T109 WeakPolarHBondContact O-CG2 3.28Å; S105-T109 PolarHBondContact O-N 3.47Å; S105-T125 WeakPolarHBondContact OG-CG2 3.38Å
106	L	97.6	Very high	96.6	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-44.6	179.9	-72.1	168.6	0	0	0	113.1	T69 L102 Q103 I104 M108 T109 F110 T125 V230 V234 L235 L238	T69-L106 HydrophobicContact CG2-CB 4.12Å; T69-L106 HydrophobicContact CG2-CD1 4.49Å; L102-L106 HydrophobicContact CD1-CD1 4.14Å; L102-L106 HydrophobicContact CD1-CG 4.29Å; L102-L106 HydrophobicContact CG-CD1 3.94Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 2.97Å; Q103-L106 PolarHBondContact O-N 2.95Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.5Å; L106-M108 PolarHBondContact O-N 3Å; L106-T109 VanDerWaalsContact C-OG1 3.32Å; L106-T109 WeakPolarHBondContact CA-OG1 3.14Å; L106-T109 PolarHBondContact O-N 3.38Å; L106-T109 PolarHBondContact O-OG1 2.94Å; L106-F110 HydrophobicContact CD2-CE2 4.45Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.49Å; L106-F110 VanDerWaalsContact O-N 3.14Å; L106-T125 HydrophobicContact CD2-CG2 3.73Å; L106-T125 HydrophobicContact CG-CG2 4.14Å; L106-V230 HydrophobicContact CD1-CG1 4.01Å; L106-V234 HydrophobicContact CD1-CB 4.4Å; L106-V234 HydrophobicContact CD1-CG1 3.95Å; L106-V234 HydrophobicContact CD2-CG1 3.69Å; L106-V234 HydrophobicContact CG-CG1 4.31Å; L106-L235 HydrophobicContact CD2-CD2 3.98Å; L106-L238 HydrophobicContact CD2-CD1 3.8Å; L106-L238 HydrophobicContact CD2-CD2 4.2Å; L106-L238 HydrophobicContact CD2-CG 4.23Å
107	I	96.7	Very high	96.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-58.2	-43	175.8	-70.8	154.2	0	0	0	110.4	L4 I5 T8 L66 T70 Q103 I104 T111	L4-I107 HydrophobicContact CD2-CB 4.13Å; L4-I107 HydrophobicContact CD2-CD1 3.23Å; L4-I107 HydrophobicContact CD2-CG1 3.55Å; L4-I107 HydrophobicContact CD2-CG2 3.47Å; L4-I107 VanDerWaalsContact CD2-CG2 3.47Å; I5-I107 HydrophobicContact CG1-CG2 4.04Å; T8-I107 HydrophobicContact CG2-CD1 3.69Å; L66-I107 HydrophobicContact CD2-CB 4.41Å; L66-I107 HydrophobicContact CD2-CG1 4.46Å; L66-I107 HydrophobicContact CD2-CG2 4.23Å; T70-I107 HydrophobicContact CG2-CD1 4.25Å; T70-I107 HydrophobicContact CG2-CG1 4.32Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.45Å; Q103-I107 WeakPolarHBondContact O-CD1 3.36Å; Q103-I107 WeakPolarHBondContact O-CG1 3.37Å; Q103-I107 PolarHBondContact O-N 2.91Å; I104-I107 PolarHBondContact O-N 3.01Å; I107-T111 WeakPolarHBondContact O-CG2 3.3Å; I107-T111 PolarHBondContact O-N 3.02Å; I107-T111 PolarHBondContact O-OG1 2.98Å
108	M	96.4	Very high	96.5	Very high	26 Å²	26	15.9 Å²	15.9	13%	0.128	8%	0.083	C	C	.	.	H	α-helix	trans	-68.8	-36.8	179.3	-60.6	-70.5	-81.9	0	0	111.3	I5 F56 I104 S105 L106 T111 A112 F121	I5-M108 HydrophobicContact CD1-CE 4.31Å; I5-M108 HydrophobicContact CD1-SD 3.2Å; I5-M108 WeakPolarHBondContact CD1-SD 3.3Å; I5-M108 HydrophobicContact CG1-SD 3.57Å; I5-M108 VanDerWaalsContact CG1-SD 3.57Å; I5-M108 HydrophobicContact CG2-SD 4.17Å; F56-M108 HydrophobicContact CE1-CE 3.59Å; F56-M108 HydrophobicContact CE1-SD 3.61Å; F56-M108 HydrophobicContact CE2-CE 4.27Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.64Å; I104-M108 WeakPolarHBondContact O-CG 3.38Å; I104-M108 PolarHBondContact O-N 3.42Å; I104-M108 VanDerWaalsContact O-N 3.14Å; S105-M108 PolarHBondContact O-N 3.08Å; L106-M108 PolarHBondContact O-N 3Å; M108-T111 PolarHBondContact O-N 3.48Å; M108-A112 WeakPolarHBondContact O-CB 3.33Å; M108-A112 PolarHBondContact O-N 3.43Å; M108-F121 HydrophobicContact CB-CB 4.43Å; M108-F121 HydrophobicContact CB-CD1 3.87Å; M108-F121 HydrophobicContact CB-CD2 3.66Å; M108-F121 HydrophobicContact CB-CE1 4Å; M108-F121 HydrophobicContact CB-CE2 3.77Å; M108-F121 HydrophobicContact CB-CG 3.73Å; M108-F121 HydrophobicContact CB-CZ 3.96Å; M108-F121 HydrophobicContact CE-CE1 4.24Å; M108-F121 HydrophobicContact CE-CE2 3.85Å; M108-F121 HydrophobicContact CE-CZ 3.49Å; M108-F121 VanDerWaalsContact CE-CZ 3.49Å; M108-F121 HydrophobicContact CG-CE1 4.37Å; M108-F121 HydrophobicContact CG-CZ 4.33Å
109	T	96.9	Very high	96.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.8	-50.5	175.3	55.5	0	0	0	0	112.7	S105 L106 T111 F118 F121 F122 T125 L238	S105-T109 WeakPolarHBondContact O-CG2 3.28Å; S105-T109 PolarHBondContact O-N 3.47Å; L106-T109 VanDerWaalsContact C-OG1 3.32Å; L106-T109 WeakPolarHBondContact CA-OG1 3.14Å; L106-T109 PolarHBondContact O-N 3.38Å; L106-T109 PolarHBondContact O-OG1 2.94Å; T109-T111 PolarHBondContact O-N 3.18Å; T109-F118 WeakPolarHBondContact O-CD2 3.4Å; T109-F121 HydrophobicContact CG2-CB 3.43Å; T109-F121 VanDerWaalsContact CG2-CB 3.43Å; T109-F121 WeakPolarHBondContact CG2-O 3.4Å; T109-F122 HydrophobicContact CG2-CB 4.4Å; T109-F122 VanDerWaalsContact CG2-N 3.32Å; T109-T125 HydrophobicContact CG2-CG2 4.02Å; T109-L238 HydrophobicContact CG2-CD2 4.31Å; T109-L238 VanDerWaalsContact OG1-CD2 3.3Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.42Å
110	F	95.3	Very high	96.5	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-71.2	-19	-175.3	-68.8	-61	0	0	0	113	T62 L65 L66 T69 L106 V234 L238 Y241	T62-F110 WeakPolarHBondContact CG2-O 3.45Å; L65-F110 HydrophobicContact CB-CD1 3.97Å; L65-F110 HydrophobicContact CB-CD2 4.37Å; L65-F110 HydrophobicContact CB-CE1 3.97Å; L65-F110 HydrophobicContact CB-CE2 4.38Å; L65-F110 HydrophobicContact CB-CG 4.18Å; L65-F110 HydrophobicContact CB-CZ 4.17Å; L65-F110 HydrophobicContact CD1-CD1 3.87Å; L65-F110 HydrophobicContact CD1-CE1 3.66Å; L65-F110 HydrophobicContact CD1-CZ 4.47Å; L65-F110 HydrophobicContact CG-CE1 4.29Å; L66-F110 HydrophobicContact CD2-CB 4.03Å; L66-F110 HydrophobicContact CG-CB 4.1Å; T69-F110 HydrophobicContact CG2-CD2 3.98Å; T69-F110 HydrophobicContact CG2-CE2 3.53Å; L106-F110 HydrophobicContact CD2-CE2 4.45Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.49Å; L106-F110 VanDerWaalsContact O-N 3.14Å; F110-V234 HydrophobicContact CE2-CG1 3.6Å; F110-V234 HydrophobicContact CZ-CG1 3.77Å; F110-L238 HydrophobicContact CD1-CD2 4.35Å; F110-L238 HydrophobicContact CE1-CD2 3.64Å; F110-L238 HydrophobicContact CE2-CD2 4Å; F110-L238 HydrophobicContact CZ-CD2 3.44Å; F110-L238 VanDerWaalsContact CZ-CD2 3.44Å; F110-L238 HydrophobicContact CZ-CG 4.1Å; F110-Y241 AromaticContact CD1-CD1 3.88Å; F110-Y241 HydrophobicContact CD1-CD1 3.88Å; F110-Y241 HydrophobicContact CD1-CD2 4.02Å; F110-Y241 HydrophobicContact CD1-CE1 4.25Å; F110-Y241 HydrophobicContact CD1-CE2 4.41Å; F110-Y241 AromaticContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CE1-CD1 4.23Å; F110-Y241 HydrophobicContact CE1-CD2 4.48Å; F110-Y241 AromaticContact CE1-CG 3.94Å; F110-Y241 HydrophobicContact CE1-CG 3.94Å; F110-Y241 PolarHBondContact O-OH 3.3Å
111	T	94.4	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-105.5	-7	-175.8	56.6	0	0	0	0	114.3	M1 F56 S57 L66 I107 M108 T109 T113	M1-T111 HydrophobicContact CE-CG2 3.63Å; M1-T111 HydrophobicContact CG-CG2 3.59Å; M1-T111 HydrophobicContact SD-CG2 3.74Å; F56-T111 CarbonylContact C-O 3.19Å; F56-T111 WeakPolarHBondContact CA-O 3.43Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.37Å; S57-T111 PolarHBondContact N-O 2.93Å; L66-T111 HydrophobicContact CD1-CG2 3.42Å; L66-T111 VanDerWaalsContact CD1-CG2 3.42Å; L66-T111 HydrophobicContact CD2-CG2 3.79Å; L66-T111 HydrophobicContact CG-CG2 4.15Å; I107-T111 WeakPolarHBondContact O-CG2 3.3Å; I107-T111 PolarHBondContact O-N 3.02Å; I107-T111 PolarHBondContact O-OG1 2.98Å; M108-T111 PolarHBondContact O-N 3.48Å; T109-T111 PolarHBondContact O-N 3.18Å; T111-T113 PolarHBondContact O-N 2.92Å
112	A	95.5	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-61.4	125.5	179.7	0	0	0	0	0	111.4	M108 M117 F118	M108-A112 WeakPolarHBondContact O-CB 3.33Å; M108-A112 PolarHBondContact O-N 3.43Å; A112-M117 HydrophobicContact CB-CB 4.28Å; A112-M117 HydrophobicContact CB-CG 4.14Å; A112-M117 HydrophobicContact CB-SD 4.34Å; A112-F118 HydrophobicContact CB-CB 3.94Å
113	T	93.2	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	-81.1	-38.3	176.1	47.9	0	0	0	0	112.6	P54 T55 S57 T111 I176	P54-T113 WeakPolarHBondContact O-CB 3.2Å; P54-T113 PolarHBondContact O-OG1 3.12Å; T55-T113 VanDerWaalsContact CA-OG1 3.27Å; T55-T113 WeakPolarHBondContact CA-OG1 3.33Å; T55-T113 PolarHBondContact O-N 3.33Å; T55-T113 PolarHBondContact O-OG1 3.29Å; S57-T113 WeakPolarHBondContact OG-CG2 3.23Å; T111-T113 PolarHBondContact O-N 2.92Å; T113-I176 WeakPolarHBondContact O-CB 3.09Å; T113-I176 WeakPolarHBondContact O-CD1 3.42Å; T113-I176 WeakPolarHBondContact O-CG1 3.41Å; T113-I176 PolarHBondContact O-N 3.02Å
114	E	94.6	Very high	96.5	Very high	50 Å²	50	21.7 Å²	21.7	23%	0.234	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-88.3	129.8	178.2	-73.3	-73.9	168.2	0	0	110.6	I116 M117 F118 L174 N175	E114-I116 VanDerWaalsContact C-N 3.28Å; E114-I116 PolarHBondContact O-N 3.43Å; E114-M117 HydrophobicContact CB-CB 4.07Å; E114-M117 WeakPolarHBondContact O-CB 3.13Å; E114-M117 PolarHBondContact O-N 2.66Å; E114-F118 PolarHBondContact O-N 2.89Å; E114-L174 VanDerWaalsContact OE2-CA 3.3Å; E114-L174 WeakPolarHBondContact OE2-CA 3.34Å; E114-L174 WeakPolarHBondContact OE2-CB 3.24Å; E114-L174 PolarHBondContact OE2-N 3.16Å; E114-N175 VanDerWaalsContact OE1-CB 3.31Å; E114-N175 WeakPolarHBondContact OE1-CB 3.44Å; E114-N175 PolarHBondContact OE2-N 3.32Å
115	L	95	Very high	96.5	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-29.6	-176.6	-67.4	171.9	0	0	0	113.7	F118 Y119 L164 L174 I176 L179 R245 L246 I249	L115-F118 WeakPolarHBondContact O-CB 3.09Å; L115-F118 PolarHBondContact O-N 3.41Å; L115-Y119 PolarHBondContact O-N 2.99Å; L115-L164 HydrophobicContact CB-CD2 3.69Å; L115-L164 HydrophobicContact CD1-CD2 3.97Å; L115-L164 HydrophobicContact CG-CD2 4.45Å; L115-L174 HydrophobicContact CB-CB 4.18Å; L115-L174 PolarHBondContact N-O 3.3Å; L115-I176 HydrophobicContact CD2-CD1 4.05Å; L115-I176 HydrophobicContact CD2-CG1 3.81Å; L115-I176 HydrophobicContact CG-CG1 4.08Å; L115-L179 HydrophobicContact CD1-CD1 3.51Å; L115-L179 HydrophobicContact CG-CD1 4.24Å; L115-R245 HydrophobicContact CD2-CB 4.48Å; L115-L246 HydrophobicContact CD1-CD2 3.81Å; L115-L246 HydrophobicContact CD2-CD2 4.23Å; L115-I249 HydrophobicContact CD1-CD1 3.73Å
116	I	96.5	Very high	96.4	Very high	53 Å²	53	20.4 Å²	20.4	27%	0.272	10%	0.102	S	C	.	.	H	α-helix	trans	-69.7	-35.8	174.7	-163.9	65.3	0	0	0	111.6	E114 Y119 I120 L161 L174	E114-I116 VanDerWaalsContact C-N 3.28Å; E114-I116 PolarHBondContact O-N 3.43Å; I116-Y119 WeakPolarHBondContact O-CB 3.22Å; I116-Y119 PolarHBondContact O-N 3.29Å; I116-I120 WeakPolarHBondContact O-CG1 3.46Å; I116-I120 PolarHBondContact O-N 3.33Å; I116-L161 HydrophobicContact CD1-CD1 3.52Å; I116-L174 HydrophobicContact CB-CD1 3.93Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å
117	M	96.4	Very high	96.4	Very high	46 Å²	46	25.8 Å²	25.8	23%	0.227	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-41.4	174.6	-174.5	-176.2	-56.2	0	0	110.3	T55 F56 A112 E114 Y119 I120 F121	T55-M117 HydrophobicContact CG2-CE 4.1Å; F56-M117 HydrophobicContact CE1-SD 4.32Å; A112-M117 HydrophobicContact CB-CB 4.28Å; A112-M117 HydrophobicContact CB-CG 4.14Å; A112-M117 HydrophobicContact CB-SD 4.34Å; E114-M117 HydrophobicContact CB-CB 4.07Å; E114-M117 WeakPolarHBondContact O-CB 3.13Å; E114-M117 PolarHBondContact O-N 2.66Å; M117-Y119 VanDerWaalsContact C-N 3.33Å; M117-Y119 PolarHBondContact O-N 3.27Å; M117-I120 PolarHBondContact O-N 3.1Å; M117-F121 HydrophobicContact CG-CD2 3.7Å; M117-F121 HydrophobicContact CG-CE2 3.39Å; M117-F121 HydrophobicContact CG-CZ 4.48Å; M117-F121 WeakPolarHBondContact O-CD2 3.29Å; M117-F121 PolarHBondContact O-N 3.47Å; M117-F121 HydrophobicContact SD-CE2 3.91Å
118	F	96.9	Very high	96.4	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.022	13%	0.132	C	C	.	.	H	α-helix	trans	-55.3	-48	170.1	166.3	-107.7	0	0	0	111.3	T109 A112 E114 L115 F121 F122 F203 Y241	T109-F118 WeakPolarHBondContact O-CD2 3.4Å; A112-F118 HydrophobicContact CB-CB 3.94Å; E114-F118 PolarHBondContact O-N 2.89Å; L115-F118 WeakPolarHBondContact O-CB 3.09Å; L115-F118 PolarHBondContact O-N 3.41Å; F118-F121 PolarHBondContact O-N 3.14Å; F118-F122 HydrophobicContact CZ-CD2 4.3Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 PolarHBondContact O-N 3.49Å; F118-F203 AromaticContact CE1-CE1 3.65Å; F118-F203 HydrophobicContact CE1-CE1 3.65Å; F118-F203 AromaticContact CE1-CZ 3.73Å; F118-F203 HydrophobicContact CE1-CZ 3.73Å; F118-F203 AromaticContact CZ-CE1 3.82Å; F118-F203 HydrophobicContact CZ-CE1 3.82Å; F118-F203 HydrophobicContact CZ-CZ 4.36Å; F118-Y241 HydrophobicContact CD2-CD1 4.3Å; F118-Y241 AromaticContact CD2-CE1 3.92Å; F118-Y241 HydrophobicContact CD2-CE1 3.92Å; F118-Y241 AromaticContact CE2-CD1 3.57Å; F118-Y241 HydrophobicContact CE2-CD1 3.57Å; F118-Y241 AromaticContact CE2-CE1 3.66Å; F118-Y241 HydrophobicContact CE2-CE1 3.66Å; F118-Y241 HydrophobicContact CZ-CD1 4.08Å; F118-Y241 HydrophobicContact CZ-CE1 4.41Å
119	Y	97.6	Very high	96.5	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.075	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-48.2	177.6	174	-91.8	0	0	0	112.8	L115 I116 M117 F121 F122 E123 S157 L160 L161 L164	L115-Y119 PolarHBondContact O-N 2.99Å; I116-Y119 WeakPolarHBondContact O-CB 3.22Å; I116-Y119 PolarHBondContact O-N 3.29Å; M117-Y119 VanDerWaalsContact C-N 3.33Å; M117-Y119 PolarHBondContact O-N 3.27Å; Y119-F121 VanDerWaalsContact C-N 3.35Å; Y119-F121 PolarHBondContact O-N 2.8Å; Y119-F122 WeakPolarHBondContact O-CB 3.5Å; Y119-F122 PolarHBondContact O-N 2.71Å; Y119-E123 HydrophobicContact CE1-CG 4.05Å; Y119-E123 HydrophobicContact CE2-CG 3.96Å; Y119-E123 PolarHBondContact O-N 3.18Å; Y119-S157 VanDerWaalsContact CE2-O 3.29Å; Y119-S157 WeakPolarHBondContact CE2-O 3.28Å; Y119-L160 HydrophobicContact CD2-CD2 3.84Å; Y119-L160 HydrophobicContact CD2-CG 4.15Å; Y119-L160 HydrophobicContact CE2-CD2 4.31Å; Y119-L160 HydrophobicContact CE2-CG 4.5Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.98Å; Y119-L161 HydrophobicContact CE1-CD1 3.71Å; Y119-L161 HydrophobicContact CE1-CD2 4.06Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 4.01Å; Y119-L164 HydrophobicContact CD2-CD1 4.43Å; Y119-L164 HydrophobicContact CG-CD1 4.34Å
120	I	98.2	Very high	96.5	Very high	92 Å²	92	27.4 Å²	27.4	47%	0.472	14%	0.139	S	C	.	.	H	α-helix	trans	-58.4	-50.2	179.4	-68.6	165	0	0	0	109.7	I116 M117 F122 E123 T124	I116-I120 WeakPolarHBondContact O-CG1 3.46Å; I116-I120 PolarHBondContact O-N 3.33Å; M117-I120 PolarHBondContact O-N 3.1Å; I120-F122 VanDerWaalsContact C-N 3.32Å; I120-F122 PolarHBondContact O-N 2.94Å; I120-E123 PolarHBondContact O-N 2.86Å; I120-T124 HydrophobicContact CG2-CG2 4.19Å; I120-T124 WeakPolarHBondContact O-CG2 3.26Å; I120-T124 PolarHBondContact O-N 3.22Å
121	F	97.8	Very high	96.6	Very high	47 Å²	47	28.4 Å²	28.4	21%	0.206	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-36.9	179.4	-69.9	-54.5	0	0	0	112.1	M108 T109 M117 F118 Y119 E123 T124 T125	M108-F121 HydrophobicContact CB-CB 4.43Å; M108-F121 HydrophobicContact CB-CD1 3.87Å; M108-F121 HydrophobicContact CB-CD2 3.66Å; M108-F121 HydrophobicContact CB-CE1 4Å; M108-F121 HydrophobicContact CB-CE2 3.77Å; M108-F121 HydrophobicContact CB-CG 3.73Å; M108-F121 HydrophobicContact CB-CZ 3.96Å; M108-F121 HydrophobicContact CE-CE1 4.24Å; M108-F121 HydrophobicContact CE-CE2 3.85Å; M108-F121 HydrophobicContact CE-CZ 3.49Å; M108-F121 VanDerWaalsContact CE-CZ 3.49Å; M108-F121 HydrophobicContact CG-CE1 4.37Å; M108-F121 HydrophobicContact CG-CZ 4.33Å; T109-F121 HydrophobicContact CG2-CB 3.43Å; T109-F121 VanDerWaalsContact CG2-CB 3.43Å; T109-F121 WeakPolarHBondContact CG2-O 3.4Å; M117-F121 HydrophobicContact CG-CD2 3.7Å; M117-F121 HydrophobicContact CG-CE2 3.39Å; M117-F121 HydrophobicContact CG-CZ 4.48Å; M117-F121 WeakPolarHBondContact O-CD2 3.29Å; M117-F121 PolarHBondContact O-N 3.47Å; M117-F121 HydrophobicContact SD-CE2 3.91Å; F118-F121 PolarHBondContact O-N 3.14Å; Y119-F121 VanDerWaalsContact C-N 3.35Å; Y119-F121 PolarHBondContact O-N 2.8Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 3.06Å; F121-T124 VanDerWaalsContact CA-OG1 3.28Å; F121-T124 WeakPolarHBondContact CA-OG1 3.44Å; F121-T124 PolarHBondContact O-N 3.48Å; F121-T124 VanDerWaalsContact O-N 3.16Å; F121-T124 PolarHBondContact O-OG1 3.32Å; F121-T125 WeakPolarHBondContact O-CG2 3.37Å; F121-T125 PolarHBondContact O-N 3.46Å; F121-T125 VanDerWaalsContact O-N 3.14Å
122	F	97.1	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-44.9	177.7	166.2	-94.7	0	0	0	111.4	T109 F118 Y119 I120 T125 F203 K206 L238	T109-F122 HydrophobicContact CG2-CB 4.4Å; T109-F122 VanDerWaalsContact CG2-N 3.32Å; F118-F122 HydrophobicContact CZ-CD2 4.3Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 PolarHBondContact O-N 3.49Å; Y119-F122 WeakPolarHBondContact O-CB 3.5Å; Y119-F122 PolarHBondContact O-N 2.71Å; I120-F122 VanDerWaalsContact C-N 3.32Å; I120-F122 PolarHBondContact O-N 2.94Å; F122-T125 PolarHBondContact O-OG1 2.94Å; F122-F203 HydrophobicContact CE2-CD1 4.24Å; F122-F203 HydrophobicContact CE2-CE1 4.13Å; F122-F203 HydrophobicContact CZ-CD1 4.34Å; F122-F203 HydrophobicContact CZ-CE1 4.24Å; F122-K206 HydrophobicContact CE2-CD 4.13Å; F122-K206 HydrophobicContact CE2-CG 3.7Å; F122-K206 HydrophobicContact CZ-CD 4.03Å; F122-K206 VanDerWaalsContact CZ-CE 3.42Å; F122-K206 HydrophobicContact CZ-CG 3.45Å; F122-K206 VanDerWaalsContact CZ-CG 3.45Å; F122-L238 HydrophobicContact CD2-CB 4.09Å; F122-L238 HydrophobicContact CD2-CD1 4.3Å; F122-L238 HydrophobicContact CE2-CB 4.14Å
123	E	97.1	Very high	96.8	Very high	25 Å²	25	28.5 Å²	28.5	12%	0.117	15%	0.148	C	C	.	.	H	α-helix	trans	-71.8	-36.5	174.3	-72.4	-58.1	135.8	0	0	112.3	Y119 I120 F121 T125 L126 S157	Y119-E123 HydrophobicContact CE1-CG 4.05Å; Y119-E123 HydrophobicContact CE2-CG 3.96Å; Y119-E123 PolarHBondContact O-N 3.18Å; I120-E123 PolarHBondContact O-N 2.86Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 3.06Å; E123-T125 PolarHBondContact O-N 3Å; E123-T125 VanDerWaalsContact O-N 3.13Å; E123-L126 WeakPolarHBondContact O-CB 3.23Å; E123-L126 WeakPolarHBondContact O-CG 3.14Å; E123-L126 PolarHBondContact O-N 3.03Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.22Å; E123-S157 WeakPolarHBondContact OE1-CB 3.24Å; E123-S157 PolarHBondContact OE1-OG 3.31Å
124	T	97.5	Very high	97	Very high	45 Å²	45	30.1 Å²	30.1	28%	0.276	16%	0.158	S	C	.	.	H	α-helix	trans	-60	-27.9	177.5	68.1	0	0	0	0	113.1	I120 F121 L126 I127 P128	I120-T124 HydrophobicContact CG2-CG2 4.19Å; I120-T124 WeakPolarHBondContact O-CG2 3.26Å; I120-T124 PolarHBondContact O-N 3.22Å; F121-T124 VanDerWaalsContact CA-OG1 3.28Å; F121-T124 WeakPolarHBondContact CA-OG1 3.44Å; F121-T124 PolarHBondContact O-N 3.48Å; F121-T124 VanDerWaalsContact O-N 3.16Å; F121-T124 PolarHBondContact O-OG1 3.32Å; T124-L126 PolarHBondContact O-N 2.92Å; T124-I127 PolarHBondContact O-N 3.49Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T124-P128 WeakPolarHBondContact O-CD 3.16Å
125	T	97.6	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.2	174.9	68.1	0	0	0	0	112.7	S105 L106 T109 F121 F122 E123 I127 T129 L238	S105-T125 WeakPolarHBondContact OG-CG2 3.38Å; L106-T125 HydrophobicContact CD2-CG2 3.73Å; L106-T125 HydrophobicContact CG-CG2 4.14Å; T109-T125 HydrophobicContact CG2-CG2 4.02Å; F121-T125 WeakPolarHBondContact O-CG2 3.37Å; F121-T125 PolarHBondContact O-N 3.46Å; F121-T125 VanDerWaalsContact O-N 3.14Å; F122-T125 PolarHBondContact O-OG1 2.94Å; E123-T125 PolarHBondContact O-N 3Å; E123-T125 VanDerWaalsContact O-N 3.13Å; T125-I127 VanDerWaalsContact C-N 3.32Å; T125-I127 PolarHBondContact O-N 3.17Å; T125-T129 WeakPolarHBondContact O-CB 3.34Å; T125-T129 WeakPolarHBondContact O-CG2 3.15Å; T125-T129 PolarHBondContact O-OG1 2.84Å; T125-L238 HydrophobicContact CG2-CD1 4.17Å
126	L	96.8	Very high	97.1	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-33.6	177.2	-67.1	-179.4	0	0	0	112.5	E123 T124 T129 L130 F149 T153	E123-L126 WeakPolarHBondContact O-CB 3.23Å; E123-L126 WeakPolarHBondContact O-CG 3.14Å; E123-L126 PolarHBondContact O-N 3.03Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.22Å; T124-L126 PolarHBondContact O-N 2.92Å; L126-T129 VanDerWaalsContact C-OG1 3.29Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.23Å; L126-T129 PolarHBondContact O-N 3.4Å; L126-T129 PolarHBondContact O-OG1 3.5Å; L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.48Å; L126-F149 HydrophobicContact CD2-CD1 4.3Å; L126-F149 HydrophobicContact CD2-CE1 3.45Å; L126-F149 VanDerWaalsContact CD2-CE1 3.45Å; L126-F149 HydrophobicContact CD2-CE2 4.23Å; L126-F149 HydrophobicContact CD2-CZ 3.43Å; L126-F149 VanDerWaalsContact CD2-CZ 3.43Å; L126-T153 WeakPolarHBondContact CD1-OG1 3.38Å; L126-T153 HydrophobicContact CD2-CG2 4.06Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.32Å
127	I	96.9	Very high	97	Very high	119 Å²	119	32.4 Å²	32.4	61%	0.61	16%	0.161	S	C	*	.	H	α-helix	trans	-68.3	-53.5	-171.9	-59.3	167.7	0	0	0	110.9	T124 T125 T129 A131	T124-I127 PolarHBondContact O-N 3.49Å; T124-I127 VanDerWaalsContact O-N 3.15Å; T125-I127 VanDerWaalsContact C-N 3.32Å; T125-I127 PolarHBondContact O-N 3.17Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.33Å; I127-A131 PolarHBondContact O-N 2.97Å; I127-A131 VanDerWaalsContact O-N 3.13Å
128	P	97.4	Very high	96.7	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-35.4	177.3	-21.6	33.8	0	0	0	112.7	M98 L102 T124 A131 I132	M98-P128 WeakPolarHBondContact O-CB 3.48Å; M98-P128 HydrophobicContact SD-CB 4.25Å; L102-P128 HydrophobicContact CB-CB 3.88Å; L102-P128 HydrophobicContact CB-CG 4.36Å; L102-P128 HydrophobicContact CD1-CB 4.41Å; T124-P128 WeakPolarHBondContact O-CD 3.16Å; P128-A131 PolarHBondContact O-N 3.48Å; P128-I132 WeakPolarHBondContact O-CD1 3.39Å; P128-I132 WeakPolarHBondContact O-CG1 3.19Å; P128-I132 PolarHBondContact O-N 2.91Å
129	T	97.1	Very high	96.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-45.5	-177.9	49.6	0	0	0	0	111.8	L102 T125 L126 I127 A131 I132 I133 F149 L235	L102-T129 HydrophobicContact CD1-CG2 3.5Å; L102-T129 VanDerWaalsContact CD1-CG2 3.5Å; L102-T129 HydrophobicContact CD2-CG2 3.57Å; L102-T129 HydrophobicContact CG-CG2 4.18Å; T125-T129 WeakPolarHBondContact O-CB 3.34Å; T125-T129 WeakPolarHBondContact O-CG2 3.15Å; T125-T129 PolarHBondContact O-OG1 2.84Å; L126-T129 VanDerWaalsContact C-OG1 3.29Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.23Å; L126-T129 PolarHBondContact O-N 3.4Å; L126-T129 PolarHBondContact O-OG1 3.5Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.33Å; T129-A131 VanDerWaalsContact C-N 3.28Å; T129-A131 PolarHBondContact O-N 3.5Å; T129-I132 PolarHBondContact O-N 2.94Å; T129-I132 VanDerWaalsContact O-N 3.15Å; T129-I133 VanDerWaalsContact O-CG1 3.28Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 3.32Å; T129-F149 VanDerWaalsContact OG1-CE1 3.32Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.33Å; T129-L235 HydrophobicContact CG2-CD1 3.33Å; T129-L235 HydrophobicContact CG2-CD2 4.33Å; T129-L235 HydrophobicContact CG2-CG 4.49Å
130	L	97.2	Very high	96.3	Very high	44 Å²	44	40 Å²	40	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-44.5	173.3	-177.4	72.8	0	0	0	110.9	L126 I132 I133 T134 G146 L150	L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.48Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 2.91Å; L130-I133 PolarHBondContact O-N 3.34Å; L130-T134 HydrophobicContact CD1-CG2 3.84Å; L130-T134 HydrophobicContact CG-CG2 4.18Å; L130-T134 WeakPolarHBondContact O-CB 3.05Å; L130-T134 WeakPolarHBondContact O-CG2 3.47Å; L130-T134 PolarHBondContact O-N 3.38Å; L130-T134 PolarHBondContact O-OG1 2.73Å; L130-G146 WeakPolarHBondContact CD1-O 3.4Å; L130-L150 HydrophobicContact CD1-CB 4.34Å; L130-L150 HydrophobicContact CD2-CD1 3.64Å
131	A	97.4	Very high	96.1	Very high	22 Å²	22	40.4 Å²	40.4	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-42.1	177.3	0	0	0	0	0	111.6	M98 I127 P128 T129 R135	M98-A131 HydrophobicContact CE-CB 3.43Å; M98-A131 VanDerWaalsContact CE-CB 3.43Å; M98-A131 HydrophobicContact SD-CB 4.1Å; I127-A131 PolarHBondContact O-N 2.97Å; I127-A131 VanDerWaalsContact O-N 3.13Å; P128-A131 PolarHBondContact O-N 3.48Å; T129-A131 VanDerWaalsContact C-N 3.28Å; T129-A131 PolarHBondContact O-N 3.5Å; A131-R135 WeakPolarHBondContact O-CB 3.26Å; A131-R135 PolarHBondContact O-N 3.46Å; A131-R135 VanDerWaalsContact O-N 3.1Å
132	I	97.5	Very high	96.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-47	177.4	-70.7	161.6	0	0	0	111.4	Y95 M98 L99 L102 P128 T129 L130 W136 P224	Y95-I132 HydrophobicContact CE2-CG2 4.22Å; M98-I132 HydrophobicContact CB-CD1 4.13Å; M98-I132 HydrophobicContact CB-CG1 3.94Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.37Å; L102-I132 HydrophobicContact CD2-CD1 4.28Å; P128-I132 WeakPolarHBondContact O-CD1 3.39Å; P128-I132 WeakPolarHBondContact O-CG1 3.19Å; P128-I132 PolarHBondContact O-N 2.91Å; T129-I132 PolarHBondContact O-N 2.94Å; T129-I132 VanDerWaalsContact O-N 3.15Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 2.91Å; I132-W136 PolarHBondContact O-N 3.17Å; I132-P224 HydrophobicContact CG2-CG 3.59Å
133	I	96.9	Very high	96	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-55.3	-178	-61.9	163.1	0	0	0	110.8	T129 L130 R135 G137 F149 A223 L231	T129-I133 VanDerWaalsContact O-CG1 3.28Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 3.34Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.33Å; I133-G137 WeakPolarHBondContact O-CA 3.2Å; I133-G137 PolarHBondContact O-N 2.8Å; I133-F149 HydrophobicContact CD1-CD1 4.25Å; I133-A223 HydrophobicContact CG1-CB 4.1Å; I133-L231 HydrophobicContact CD1-CD1 4.1Å; I133-L231 HydrophobicContact CG1-CD1 4.49Å
134	T	97.1	Very high	96	Very high	36 Å²	36	49.5 Å²	49.5	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-27.6	-170.6	57.8	0	0	0	0	113	L130 R142 L143	L130-T134 HydrophobicContact CD1-CG2 3.84Å; L130-T134 HydrophobicContact CG-CG2 4.18Å; L130-T134 WeakPolarHBondContact O-CB 3.05Å; L130-T134 WeakPolarHBondContact O-CG2 3.47Å; L130-T134 PolarHBondContact O-N 3.38Å; L130-T134 PolarHBondContact O-OG1 2.73Å; T134-R142 VanDerWaalsContact O-CD 3.32Å; T134-R142 WeakPolarHBondContact O-CD 3.37Å; T134-R142 PolarHBondContact O-NE 3.01Å; T134-L143 HydrophobicContact CG2-CD2 4.37Å
135	R	96.3	Very high	95.9	Very high	131 Å²	131	47.5 Å²	47.5	49%	0.494	24%	0.241	S	C	.	.	H	α-helix	trans	-94.1	-42.3	-176.9	-175.1	61.4	175.9	-178.2	-0.5	114	A131 I133 R142	A131-R135 WeakPolarHBondContact O-CB 3.26Å; A131-R135 PolarHBondContact O-N 3.46Å; A131-R135 VanDerWaalsContact O-N 3.1Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.33Å; R135-R142 PolarHBondContact O-NH1 3.3Å
136	W	96.4	Very high	95.9	Very high	19 Å²	19	47.5 Å²	47.5	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-112.4	8.4	-174.6	-65	-87.4	0	0	0	113.7	L84 L94 Y95 M98 I132 P224	L84-W136 HydrophobicContact CD2-CG 4.47Å; L94-W136 HydrophobicContact CB-CH2 4.37Å; L94-W136 HydrophobicContact CB-CZ2 4.34Å; Y95-W136 HydrophobicContact CD2-CB 4.34Å; Y95-W136 AromaticContact CD2-CD2 3.45Å; Y95-W136 HydrophobicContact CD2-CD2 3.45Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.45Å; Y95-W136 AromaticContact CD2-CE2 3.64Å; Y95-W136 AromaticContact CD2-CE3 3.73Å; Y95-W136 HydrophobicContact CD2-CE3 3.73Å; Y95-W136 AromaticContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CH2 4.29Å; Y95-W136 HydrophobicContact CD2-CZ2 4.08Å; Y95-W136 HydrophobicContact CD2-CZ3 4.14Å; Y95-W136 HydrophobicContact CE2-CB 4.15Å; Y95-W136 HydrophobicContact CE2-CD2 4.11Å; Y95-W136 HydrophobicContact CE2-CE3 4.32Å; Y95-W136 HydrophobicContact CE2-CG 4.06Å; Y95-W136 HydrophobicContact CG-CD2 4.44Å; Y95-W136 HydrophobicContact CG-CZ2 4.38Å; M98-W136 HydrophobicContact CG-CH2 4.28Å; M98-W136 HydrophobicContact CG-CZ3 4.28Å; I132-W136 PolarHBondContact O-N 3.17Å; W136-P224 HydrophobicContact CB-CG 4.09Å; W136-P224 WeakPolarHBondContact O-CB 3.47Å
137	G	94.1	Very high	95.8	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	26%	0.257	C	S	.	.			trans	-66.8	150.8	165.8	0	0	0	0	0	111.9	I133 R142 E222	I133-G137 WeakPolarHBondContact O-CA 3.2Å; I133-G137 PolarHBondContact O-N 2.8Å; G137-R142 VanDerWaalsContact O-CD 3.23Å; G137-R142 WeakPolarHBondContact O-CD 3.4Å; G137-R142 PolarHBondContact O-NH1 3.07Å; G137-E222 WeakPolarHBondContact CA-O 3.48Å
138	N	90.9	Very high	95.8	Very high	64 Å²	64	48 Å²	48	34%	0.342	24%	0.242	S	C	.	.	S	Bend	trans	-82.7	-41	-172.3	-72.9	-18.4	0	0	0	113.9	H83 Y334	H83-N138 PolarHBondContact CE1-OD1 3.17Å; H83-N138 PolarHBondContact NE2-OD1 3.37Å; N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.41Å; N138-Y334 PolarHBondContact ND2-OH 3.12Å; N138-Y334 VanDerWaalsContact ND2-OH 3.11Å
139	Q	93.4	Very high	95.7	Very high	71 Å²	71	47.5 Å²	47.5	33%	0.332	24%	0.239	S	C	.	.	S	Bend	trans	-96.2	159.5	-173.4	-52.5	-68.9	-9.9	0	0	112	E141 R142 E222	Q139-E141 WeakPolarHBondContact CB-OE2 3.29Å; Q139-E141 PolarHBondContact O-N 3.47Å; Q139-R142 WeakPolarHBondContact O-CB 3.42Å; Q139-R142 WeakPolarHBondContact O-CD 3.3Å; Q139-R142 WeakPolarHBondContact O-CG 3.44Å; Q139-R142 PolarHBondContact O-N 3.06Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.44Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.3Å
140	P	91.8	Very high	95.7	Very high	94 Å²	94	49.4 Å²	49.4	61%	0.61	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.3	177.8	24.1	-35.4	0	0	0	113.6	R142 L143	P140-R142 PolarHBondContact O-N 3.12Å; P140-L143 PolarHBondContact O-N 3.38Å
141	E	94.8	Very high	95.7	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.7	179.9	-64.6	79.1	-171.5	0	0	113.2	Q139 L143 N144 A145 E222	Q139-E141 WeakPolarHBondContact CB-OE2 3.29Å; Q139-E141 PolarHBondContact O-N 3.47Å; E141-L143 PolarHBondContact O-N 2.97Å; E141-L143 VanDerWaalsContact O-N 3.15Å; E141-N144 CarbonylContact O-C 3.59Å; E141-N144 WeakPolarHBondContact O-CB 3.36Å; E141-N144 PolarHBondContact O-N 3.27Å; E141-A145 PolarHBondContact O-N 2.95Å; E141-E222 HydrophobicContact CB-CG 4.15Å
142	R	95.8	Very high	95.7	Very high	71 Å²	71	55 Å²	55	27%	0.268	27%	0.266	S	S	.	.	H	α-helix	trans	-54	-31.9	176.2	72.5	-170.9	179.4	171.5	5.1	114	T134 R135 G137 Q139 P140 G146 E222	T134-R142 VanDerWaalsContact O-CD 3.32Å; T134-R142 WeakPolarHBondContact O-CD 3.37Å; T134-R142 PolarHBondContact O-NE 3.01Å; R135-R142 PolarHBondContact O-NH1 3.3Å; G137-R142 VanDerWaalsContact O-CD 3.23Å; G137-R142 WeakPolarHBondContact O-CD 3.4Å; G137-R142 PolarHBondContact O-NH1 3.07Å; Q139-R142 WeakPolarHBondContact O-CB 3.42Å; Q139-R142 WeakPolarHBondContact O-CD 3.3Å; Q139-R142 WeakPolarHBondContact O-CG 3.44Å; Q139-R142 PolarHBondContact O-N 3.06Å; P140-R142 PolarHBondContact O-N 3.12Å; R142-G146 PolarHBondContact O-N 3.04Å; R142-E222 HydrophobicContact CB-CB 4.19Å
143	L	95.6	Very high	95.6	Very high	110 Å²	110	55.1 Å²	55.1	58%	0.576	27%	0.267	S	S	*	.	H	α-helix	trans	-69.8	-45.2	176.8	-67.1	178.4	0	0	0	110.6	T134 P140 E141 G146 T147	T134-L143 HydrophobicContact CG2-CD2 4.37Å; P140-L143 PolarHBondContact O-N 3.38Å; E141-L143 PolarHBondContact O-N 2.97Å; E141-L143 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 3.46Å; L143-T147 PolarHBondContact O-N 3.46Å
144	N	97.1	Very high	95.6	Very high	82 Å²	82	57.6 Å²	57.6	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-43.2	175.9	-162.6	14.6	0	0	0	110.7	E141 G146 T147 Y148	E141-N144 CarbonylContact O-C 3.59Å; E141-N144 WeakPolarHBondContact O-CB 3.36Å; E141-N144 PolarHBondContact O-N 3.27Å; N144-G146 VanDerWaalsContact C-N 3.26Å; N144-G146 PolarHBondContact O-N 3.11Å; N144-T147 WeakPolarHBondContact CA-OG1 2.94Å; N144-T147 PolarHBondContact O-N 3.33Å; N144-T147 VanDerWaalsContact O-N 3.16Å; N144-T147 PolarHBondContact O-OG1 2.89Å; N144-Y148 WeakPolarHBondContact O-CD2 3.38Å; N144-Y148 PolarHBondContact O-N 2.74Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.13Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.49Å
145	A	96.4	Very high	95.6	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-40.2	173.9	0	0	0	0	0	111.9	E141 F149 K218 E222	E141-A145 PolarHBondContact O-N 2.95Å; A145-F149 WeakPolarHBondContact O-CB 3.01Å; A145-F149 PolarHBondContact O-N 2.83Å; A145-K218 HydrophobicContact CB-CB 4Å; A145-E222 HydrophobicContact CB-CB 4.09Å; A145-E222 HydrophobicContact CB-CG 4.26Å
146	G	96.4	Very high	95.5	Very high	1 Å²	1	55 Å²	55	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-42.2	174.1	0	0	0	0	0	113.5	L130 R142 L143 N144 F149 L150	L130-G146 WeakPolarHBondContact CD1-O 3.4Å; R142-G146 PolarHBondContact O-N 3.04Å; L143-G146 PolarHBondContact O-N 3.46Å; N144-G146 VanDerWaalsContact C-N 3.26Å; N144-G146 PolarHBondContact O-N 3.11Å; G146-F149 PolarHBondContact O-N 2.88Å; G146-L150 WeakPolarHBondContact O-CB 3.48Å; G146-L150 PolarHBondContact O-N 2.93Å
147	T	96.3	Very high	95.5	Very high	64 Å²	64	54 Å²	54	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-43	176.8	56.1	0	0	0	0	111.7	L143 N144 F149 L150 F151	L143-T147 PolarHBondContact O-N 3.46Å; N144-T147 WeakPolarHBondContact CA-OG1 2.94Å; N144-T147 PolarHBondContact O-N 3.33Å; N144-T147 VanDerWaalsContact O-N 3.16Å; N144-T147 PolarHBondContact O-OG1 2.89Å; T147-F149 PolarHBondContact O-N 2.85Å; T147-L150 PolarHBondContact O-N 3.18Å; T147-F151 WeakPolarHBondContact O-CB 3.46Å; T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.42Å; T147-F151 PolarHBondContact O-N 3.1Å
148	Y	96.2	Very high	95.6	Very high	75 Å²	75	58.4 Å²	58.4	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-49.4	173.1	-84.6	-78	0	0	0	111.3	N144 L150 Y152 K218	N144-Y148 WeakPolarHBondContact O-CD2 3.38Å; N144-Y148 PolarHBondContact O-N 2.74Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.13Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.49Å; Y148-L150 PolarHBondContact O-N 3.1Å; Y148-Y152 HydrophobicContact CD1-CD2 4.24Å; Y148-Y152 AromaticContact CD1-CE2 3.62Å; Y148-Y152 HydrophobicContact CD1-CE2 3.62Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.31Å; Y148-Y152 WeakPolarHBondContact O-CB 3.39Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.31Å; Y148-Y152 PolarHBondContact O-N 2.76Å; Y148-Y152 VanDerWaalsContact O-N 3.12Å; Y148-K218 HydrophobicContact CD2-CD 3.86Å; Y148-K218 HydrophobicContact CE2-CD 4.17Å; Y148-K218 HydrophobicContact CG-CD 4.32Å
149	F	96.1	Very high	95.9	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-48.7	179.4	175.4	-113.6	0	0	0	112.1	L126 T129 I133 A145 G146 T147 T153 W215 L231	L126-F149 HydrophobicContact CD2-CD1 4.3Å; L126-F149 HydrophobicContact CD2-CE1 3.45Å; L126-F149 VanDerWaalsContact CD2-CE1 3.45Å; L126-F149 HydrophobicContact CD2-CE2 4.23Å; L126-F149 HydrophobicContact CD2-CZ 3.43Å; L126-F149 VanDerWaalsContact CD2-CZ 3.43Å; T129-F149 VanDerWaalsContact OG1-CE1 3.32Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.33Å; I133-F149 HydrophobicContact CD1-CD1 4.25Å; A145-F149 WeakPolarHBondContact O-CB 3.01Å; A145-F149 PolarHBondContact O-N 2.83Å; G146-F149 PolarHBondContact O-N 2.88Å; T147-F149 PolarHBondContact O-N 2.85Å; F149-T153 HydrophobicContact CE2-CG2 4.49Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 2.86Å; F149-T153 PolarHBondContact O-OG1 3.18Å; F149-W215 HydrophobicContact CD2-CD2 4.33Å; F149-W215 AromaticContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CH2 4.28Å; F149-W215 AromaticContact CD2-CZ3 3.49Å; F149-W215 HydrophobicContact CD2-CZ3 3.49Å; F149-W215 VanDerWaalsContact CD2-CZ3 3.49Å; F149-W215 HydrophobicContact CE2-CE3 4.23Å; F149-W215 HydrophobicContact CE2-CH2 4.18Å; F149-W215 AromaticContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CE2-CZ3 3.72Å; F149-L231 HydrophobicContact CE2-CD2 3.97Å; F149-L231 HydrophobicContact CZ-CD2 4.14Å
150	L	96.6	Very high	96	Very high	44 Å²	44	54.4 Å²	54.4	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-48.3	-177.5	176	140.4	0	0	0	112.8	L130 G146 T147 Y148 T153 L154	L130-L150 HydrophobicContact CD1-CB 4.34Å; L130-L150 HydrophobicContact CD2-CD1 3.64Å; G146-L150 WeakPolarHBondContact O-CB 3.48Å; G146-L150 PolarHBondContact O-N 2.93Å; T147-L150 PolarHBondContact O-N 3.18Å; Y148-L150 PolarHBondContact O-N 3.1Å; L150-T153 PolarHBondContact O-N 3.45Å; L150-T153 PolarHBondContact O-OG1 2.84Å; L150-L154 HydrophobicContact CD1-CD1 4.44Å; L150-L154 HydrophobicContact CD2-CD1 3.54Å; L150-L154 HydrophobicContact CG-CD1 3.76Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.2Å; L150-L154 PolarHBondContact O-N 2.98Å
151	F	97.4	Very high	96.3	Very high	122 Å²	122	52.1 Å²	52.1	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-74.6	-35.6	-173.3	-77.3	-64.6	0	0	0	112.7	T147 T153 V155	T147-F151 WeakPolarHBondContact O-CB 3.46Å; T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.42Å; T147-F151 PolarHBondContact O-N 3.1Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.36Å; F151-V155 WeakPolarHBondContact O-CB 3.4Å; F151-V155 WeakPolarHBondContact O-CG2 3.46Å; F151-V155 PolarHBondContact O-N 3.37Å
152	Y	96.3	Very high	96.4	Very high	63 Å²	63	53.1 Å²	53.1	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-47.6	173.1	-88.3	-116.3	0	0	0	109.9	Y148 G156 V205 W215	Y148-Y152 HydrophobicContact CD1-CD2 4.24Å; Y148-Y152 AromaticContact CD1-CE2 3.62Å; Y148-Y152 HydrophobicContact CD1-CE2 3.62Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.31Å; Y148-Y152 WeakPolarHBondContact O-CB 3.39Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.31Å; Y148-Y152 PolarHBondContact O-N 2.76Å; Y148-Y152 VanDerWaalsContact O-N 3.12Å; Y152-G156 PolarHBondContact O-N 3.27Å; Y152-V205 HydrophobicContact CD1-CG1 4.44Å; Y152-V205 WeakPolarHBondContact O-CG1 3.17Å; Y152-W215 AromaticContact CD1-CD1 3.63Å; Y152-W215 HydrophobicContact CD1-CG 4.43Å; Y152-W215 HydrophobicContact CG-CB 4.3Å; Y152-W215 AromaticContact CG-CD1 3.98Å; Y152-W215 HydrophobicContact CG-CG 4.43Å
153	T	95.8	Very high	96.4	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-45	-177.5	53.9	0	0	0	0	112.5	L126 F149 L150 F151 G156 S157 V205 K206	L126-T153 WeakPolarHBondContact CD1-OG1 3.38Å; L126-T153 HydrophobicContact CD2-CG2 4.06Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.32Å; F149-T153 HydrophobicContact CE2-CG2 4.49Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 2.86Å; F149-T153 PolarHBondContact O-OG1 3.18Å; L150-T153 PolarHBondContact O-N 3.45Å; L150-T153 PolarHBondContact O-OG1 2.84Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.36Å; T153-G156 PolarHBondContact O-N 2.88Å; T153-S157 VanDerWaalsContact O-CB 3.23Å; T153-S157 WeakPolarHBondContact O-CB 3.14Å; T153-S157 PolarHBondContact O-N 3.02Å; T153-S157 PolarHBondContact O-OG 2.99Å; T153-V205 HydrophobicContact CG2-CG1 4.35Å; T153-K206 HydrophobicContact CG2-CD 3.79Å; T153-K206 VanDerWaalsContact CG2-CE 3.49Å
154	L	96.4	Very high	96.5	Very high	54 Å²	54	44.7 Å²	44.7	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-40.6	-179.2	-73.6	175	0	0	0	112.8	L150 G156 S157 L158	L150-L154 HydrophobicContact CD1-CD1 4.44Å; L150-L154 HydrophobicContact CD2-CD1 3.54Å; L150-L154 HydrophobicContact CG-CD1 3.76Å; L150-L154 HydrophobicContact CG-CG 4.43Å; L150-L154 WeakPolarHBondContact O-CB 3.45Å; L150-L154 WeakPolarHBondContact O-CG 3.2Å; L150-L154 PolarHBondContact O-N 2.98Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.37Å; L154-S157 WeakPolarHBondContact CA-OG 3.42Å; L154-S157 PolarHBondContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.5Å; L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.37Å
155	V	96.8	Very high	96.5	Very high	105 Å²	105	44.6 Å²	44.6	64%	0.636	23%	0.231	S	C	*	.	H	α-helix	trans	-64.9	-37.5	177.9	172.3	0	0	0	0	110.7	F151 P159	F151-V155 WeakPolarHBondContact O-CB 3.4Å; F151-V155 WeakPolarHBondContact O-CG2 3.46Å; F151-V155 PolarHBondContact O-N 3.37Å; V155-P159 WeakPolarHBondContact O-CD 3.31Å
156	G	94.8	Very high	96.4	Very high	6 Å²	6	50.7 Å²	50.7	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-71.5	-35.7	174.8	0	0	0	0	0	113.5	Y152 T153 L154 A202	Y152-G156 PolarHBondContact O-N 3.27Å; T153-G156 PolarHBondContact O-N 2.88Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.37Å; G156-A202 WeakPolarHBondContact O-CA 3.39Å; G156-A202 WeakPolarHBondContact O-CB 3.44Å; G156-A202 PolarHBondContact O-N 3.48Å
157	S	95.9	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-91	-26.7	-169.3	70.3	0	0	0	0	115.4	Y119 E123 T153 L154 L160 L161	Y119-S157 VanDerWaalsContact CE2-O 3.29Å; Y119-S157 WeakPolarHBondContact CE2-O 3.28Å; E123-S157 WeakPolarHBondContact OE1-CB 3.24Å; E123-S157 PolarHBondContact OE1-OG 3.31Å; T153-S157 VanDerWaalsContact O-CB 3.23Å; T153-S157 WeakPolarHBondContact O-CB 3.14Å; T153-S157 PolarHBondContact O-N 3.02Å; T153-S157 PolarHBondContact O-OG 2.99Å; L154-S157 WeakPolarHBondContact CA-OG 3.42Å; L154-S157 PolarHBondContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.5Å; S157-L160 WeakPolarHBondContact O-CA 3.49Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.08Å; S157-L160 PolarHBondContact O-N 3.41Å; S157-L160 VanDerWaalsContact O-N 3.08Å; S157-L161 PolarHBondContact O-N 2.79Å
158	L	96.3	Very high	96.1	Very high	93 Å²	93	52 Å²	52	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-41.5	174.7	-72.3	170.4	0	0	0	113.3	L154 L160 L161 I162	L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.37Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.24Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-I162 PolarHBondContact O-N 3Å
159	P	97.3	Very high	96.1	Very high	50 Å²	50	54.2 Å²	54.2	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-39.4	170.1	-26.3	35.3	0	0	0	113.2	V155 L161 I162 A163 A198	V155-P159 WeakPolarHBondContact O-CD 3.31Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 2.83Å; P159-I162 PolarHBondContact O-N 3.05Å; P159-A163 WeakPolarHBondContact O-CB 3.36Å; P159-A163 PolarHBondContact O-N 3.48Å; P159-A198 HydrophobicContact CB-CB 3.99Å
160	L	96.9	Very high	95.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-40.2	175.7	169.7	69.4	0	0	0	111.3	Y119 S157 L158 A163 L164 A198 Y199 A202 F203 L246	Y119-L160 HydrophobicContact CD2-CD2 3.84Å; Y119-L160 HydrophobicContact CD2-CG 4.15Å; Y119-L160 HydrophobicContact CE2-CD2 4.31Å; Y119-L160 HydrophobicContact CE2-CG 4.5Å; S157-L160 WeakPolarHBondContact O-CA 3.49Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.08Å; S157-L160 PolarHBondContact O-N 3.41Å; S157-L160 VanDerWaalsContact O-N 3.08Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.24Å; L160-A163 PolarHBondContact O-N 3.34Å; L160-L164 HydrophobicContact CD1-CD1 4.06Å; L160-L164 HydrophobicContact CD1-CG 4.05Å; L160-L164 HydrophobicContact CG-CD1 4.02Å; L160-L164 HydrophobicContact CG-CG 4.4Å; L160-L164 WeakPolarHBondContact O-CB 3.4Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.23Å; L160-A198 VanDerWaalsContact CA-O 3.32Å; L160-A198 WeakPolarHBondContact CA-O 3.49Å; L160-A198 WeakPolarHBondContact CB-O 3.15Å; L160-A198 PolarHBondContact N-O 2.84Å; L160-Y199 HydrophobicContact CD1-CD1 3.77Å; L160-A202 HydrophobicContact CB-CB 3.9Å; L160-A202 HydrophobicContact CD2-CB 3.66Å; L160-A202 HydrophobicContact CG-CB 4.38Å; L160-F203 HydrophobicContact CD1-CE2 3.96Å; L160-F203 HydrophobicContact CD1-CZ 4.28Å; L160-F203 HydrophobicContact CD2-CE1 4.25Å; L160-F203 HydrophobicContact CD2-CE2 3.74Å; L160-F203 HydrophobicContact CD2-CZ 3.44Å; L160-F203 VanDerWaalsContact CD2-CZ 3.44Å; L160-L246 HydrophobicContact CD1-CD1 4Å
161	L	97.7	Very high	95.6	Very high	46 Å²	46	57.1 Å²	57.1	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-46.9	175.9	177.9	60.2	0	0	0	111.9	I116 Y119 S157 L158 P159 A163 L164 I165	I116-L161 HydrophobicContact CD1-CD1 3.52Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.98Å; Y119-L161 HydrophobicContact CE1-CD1 3.71Å; Y119-L161 HydrophobicContact CE1-CD2 4.06Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 4.01Å; S157-L161 PolarHBondContact O-N 2.79Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.48Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 2.83Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 2.92Å; L161-L164 PolarHBondContact O-N 3.37Å; L161-I165 HydrophobicContact CD1-CD1 3.87Å; L161-I165 HydrophobicContact CD1-CG1 4.23Å; L161-I165 HydrophobicContact CG-CD1 3.92Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 3.28Å
162	I	97.3	Very high	95.2	Very high	123 Å²	123	53.9 Å²	53.9	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-61.3	-45.2	179.2	-62.9	167.7	0	0	0	109.9	L158 P159 L164 I165 Y166	L158-I162 PolarHBondContact O-N 3Å; P159-I162 PolarHBondContact O-N 3.05Å; I162-L164 PolarHBondContact O-N 3.33Å; I162-I165 PolarHBondContact O-N 3.5Å; I162-Y166 WeakPolarHBondContact O-CB 3.34Å; I162-Y166 PolarHBondContact O-N 3.09Å
163	A	96.1	Very high	95	Very high	3 Å²	3	52 Å²	52	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-46	176.8	0	0	0	0	0	111.9	P159 L160 L161 Y166 T167 M195 A198 Y199	P159-A163 WeakPolarHBondContact O-CB 3.36Å; P159-A163 PolarHBondContact O-N 3.48Å; L160-A163 PolarHBondContact O-N 3.34Å; L161-A163 VanDerWaalsContact C-N 3.32Å; L161-A163 PolarHBondContact O-N 2.92Å; A163-Y166 WeakPolarHBondContact O-CB 3.41Å; A163-Y166 PolarHBondContact O-N 3.22Å; A163-T167 PolarHBondContact O-N 2.73Å; A163-T167 PolarHBondContact O-OG1 3.42Å; A163-M195 HydrophobicContact CB-SD 3.41Å; A163-M195 WeakPolarHBondContact CB-SD 3.27Å; A163-A198 HydrophobicContact CB-CB 3.9Å; A163-Y199 HydrophobicContact CB-CD1 3.9Å; A163-Y199 HydrophobicContact CB-CD2 4.47Å; A163-Y199 HydrophobicContact CB-CE1 3.54Å; A163-Y199 HydrophobicContact CB-CE2 4.21Å; A163-Y199 HydrophobicContact CB-CG 4.31Å; A163-Y199 PolarHBondContact O-OH 3.37Å
164	L	96.3	Very high	94.9	Very high	2 Å²	2	52 Å²	52	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-45.6	178.2	-73.4	173.4	0	0	0	112.3	L115 Y119 L160 L161 I162 Y166 T167 H168 L174 Y199 L246	L115-L164 HydrophobicContact CB-CD2 3.69Å; L115-L164 HydrophobicContact CD1-CD2 3.97Å; L115-L164 HydrophobicContact CG-CD2 4.45Å; Y119-L164 HydrophobicContact CD2-CD1 4.43Å; Y119-L164 HydrophobicContact CG-CD1 4.34Å; L160-L164 HydrophobicContact CD1-CD1 4.06Å; L160-L164 HydrophobicContact CD1-CG 4.05Å; L160-L164 HydrophobicContact CG-CD1 4.02Å; L160-L164 HydrophobicContact CG-CG 4.4Å; L160-L164 WeakPolarHBondContact O-CB 3.4Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.23Å; L161-L164 PolarHBondContact O-N 3.37Å; I162-L164 PolarHBondContact O-N 3.33Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 3.5Å; L164-T167 WeakPolarHBondContact CA-OG1 3.21Å; L164-T167 PolarHBondContact O-N 2.96Å; L164-T167 PolarHBondContact O-OG1 3.14Å; L164-H168 PolarHBondContact O-N 3.48Å; L164-L174 HydrophobicContact CB-CD1 4.29Å; L164-Y199 HydrophobicContact CD2-CE1 3.97Å; L164-Y199 HydrophobicContact CG-CE1 4.27Å; L164-L246 HydrophobicContact CD2-CD2 4.49Å
165	I	96.9	Very high	94.8	Very high	80 Å²	80	50.9 Å²	50.9	41%	0.41	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-40.7	176.7	-66.5	166.7	0	0	0	110.7	L161 I162 H168 N169	L161-I165 HydrophobicContact CD1-CD1 3.87Å; L161-I165 HydrophobicContact CD1-CG1 4.23Å; L161-I165 HydrophobicContact CG-CD1 3.92Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 3.28Å; I162-I165 PolarHBondContact O-N 3.5Å; I165-H168 WeakPolarHBondContact O-CB 3.42Å; I165-H168 PolarHBondContact O-N 3.04Å; I165-N169 PolarHBondContact O-N 3.23Å; I165-N169 VanDerWaalsContact O-N 3.07Å
166	Y	95.3	Very high	94.4	Very high	129 Å²	129	46 Å²	46	51%	0.506	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-49.7	174.5	175.9	-90.2	0	0	0	111.5	I162 A163 L164 H168 N169 T170 M195	I162-Y166 WeakPolarHBondContact O-CB 3.34Å; I162-Y166 PolarHBondContact O-N 3.09Å; A163-Y166 WeakPolarHBondContact O-CB 3.41Å; A163-Y166 PolarHBondContact O-N 3.22Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 3.5Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 3.48Å; Y166-N169 PolarHBondContact O-N 2.93Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; Y166-T170 HydrophobicContact CD1-CG2 4.14Å; Y166-T170 HydrophobicContact CE1-CG2 3.68Å; Y166-T170 HydrophobicContact CE2-CG2 4.14Å; Y166-T170 PolarHBondContact O-N 3.33Å; Y166-T170 PolarHBondContact O-OG1 3.34Å; Y166-M195 HydrophobicContact CD1-CE 3.09Å; Y166-M195 HydrophobicContact CD2-CE 4.41Å; Y166-M195 HydrophobicContact CE1-CE 3.55Å; Y166-M195 HydrophobicContact CG-CE 3.57Å
167	T	92.3	Very high	94.1	Very high	10 Å²	10	48.3 Å²	48.3	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-33.6	176.7	29.6	0	0	0	0	113.6	A163 L164 N169 T170 L171 L174 Y199 I249	A163-T167 PolarHBondContact O-N 2.73Å; A163-T167 PolarHBondContact O-OG1 3.42Å; L164-T167 WeakPolarHBondContact CA-OG1 3.21Å; L164-T167 PolarHBondContact O-N 2.96Å; L164-T167 PolarHBondContact O-OG1 3.14Å; T167-N169 VanDerWaalsContact C-N 3.31Å; T167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T167-T170 PolarHBondContact O-N 3.35Å; T167-T170 PolarHBondContact O-OG1 2.96Å; T167-L171 HydrophobicContact CG2-CD1 4.37Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.16Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.43Å; T167-Y199 WeakPolarHBondContact CB-OH 3.32Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.41Å; T167-Y199 PolarHBondContact OG1-OH 2.89Å; T167-I249 HydrophobicContact CG2-CG2 4.4Å
168	H	94.3	Very high	93.8	Very high	82 Å²	82	51.7 Å²	51.7	38%	0.38	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175.3	-173.5	58.8	0	0	0	110.9	L164 I165 Y166 T170 G172 L174	L164-H168 PolarHBondContact O-N 3.48Å; I165-H168 WeakPolarHBondContact O-CB 3.42Å; I165-H168 PolarHBondContact O-N 3.04Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 3.48Å; H168-T170 VanDerWaalsContact C-N 3.35Å; H168-T170 PolarHBondContact O-N 3.25Å; H168-G172 PolarHBondContact CE1-O 2.83Å; H168-G172 CarbonylContact O-C 3.59Å; H168-G172 WeakPolarHBondContact O-CA 3.26Å; H168-G172 PolarHBondContact O-N 3.04Å; H168-L174 HydrophobicContact CB-CD1 3.85Å; H168-L174 HydrophobicContact CB-CD2 4.28Å; H168-L174 HydrophobicContact CB-CG 3.8Å
169	N	95.1	Very high	93.4	Very high	123 Å²	123	47.4 Å²	47.4	66%	0.658	26%	0.259	S	S	*	.	H	α-helix	trans	-68.9	-31.8	179.2	-66.1	-13.9	0	0	0	112.6	I165 Y166 T167	I165-N169 PolarHBondContact O-N 3.23Å; I165-N169 VanDerWaalsContact O-N 3.07Å; Y166-N169 PolarHBondContact O-N 2.93Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; T167-N169 VanDerWaalsContact C-N 3.31Å
170	T	91.3	Very high	92.9	Very high	68 Å²	68	48.3 Å²	48.3	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-83.4	-41.9	-179.7	58	0	0	0	0	113.6	Y166 T167 H168	Y166-T170 HydrophobicContact CD1-CG2 4.14Å; Y166-T170 HydrophobicContact CE1-CG2 3.68Å; Y166-T170 HydrophobicContact CE2-CG2 4.14Å; Y166-T170 PolarHBondContact O-N 3.33Å; Y166-T170 PolarHBondContact O-OG1 3.34Å; T167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T167-T170 PolarHBondContact O-N 3.35Å; T167-T170 PolarHBondContact O-OG1 2.96Å; H168-T170 VanDerWaalsContact C-N 3.35Å; H168-T170 PolarHBondContact O-N 3.25Å
171	L	90.4	Very high	92.3	Very high	37 Å²	37	55.3 Å²	55.3	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-96.7	-11.7	-175.8	-61.7	173.6	0	0	0	112.9	T167 S173 L179 Q184	T167-L171 HydrophobicContact CG2-CD1 4.37Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.16Å; L171-S173 PolarHBondContact O-N 2.79Å; L171-L179 HydrophobicContact CD1-CD2 3.53Å; L171-Q184 HydrophobicContact CD2-CG 4.16Å
172	G	90.8	Very high	91.8	Very high	54 Å²	54	55.8 Å²	55.8	56%	0.557	31%	0.305	S	S	*	.	S	Bend	trans	79.3	-19.5	-178.6	0	0	0	0	0	115.1	H168	H168-G172 PolarHBondContact CE1-O 2.83Å; H168-G172 CarbonylContact O-C 3.59Å; H168-G172 WeakPolarHBondContact O-CA 3.26Å; H168-G172 PolarHBondContact O-N 3.04Å
173	S	92.1	Very high	91	Very high	23 Å²	23	52 Å²	52	16%	0.161	29%	0.292	C	S	.	.			trans	-148	158.3	175.9	77.7	0	0	0	0	112.1	L171 L178	L171-S173 PolarHBondContact O-N 2.79Å; S173-L178 VanDerWaalsContact OG-CD2 3.29Å; S173-L178 WeakPolarHBondContact OG-CD2 3.42Å
174	L	93.4	Very high	90.4	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	32%	0.322	C	S	.	.			trans	-117	16.3	176.1	-68.9	176.2	0	0	0	112.2	E114 L115 I116 L164 T167 H168 I176	E114-L174 VanDerWaalsContact OE2-CA 3.3Å; E114-L174 WeakPolarHBondContact OE2-CA 3.34Å; E114-L174 WeakPolarHBondContact OE2-CB 3.24Å; E114-L174 PolarHBondContact OE2-N 3.16Å; L115-L174 HydrophobicContact CB-CB 4.18Å; L115-L174 PolarHBondContact N-O 3.3Å; I116-L174 HydrophobicContact CB-CD1 3.93Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å; L164-L174 HydrophobicContact CB-CD1 4.29Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.43Å; H168-L174 HydrophobicContact CB-CD1 3.85Å; H168-L174 HydrophobicContact CB-CD2 4.28Å; H168-L174 HydrophobicContact CB-CG 3.8Å; L174-I176 PolarHBondContact O-N 2.99Å
175	N	93.2	Very high	89.9	Confident	31 Å²	31	66.1 Å²	66.1	17%	0.166	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-67.2	122.1	178.1	-169.6	-10.6	0	0	0	108.8	E114 L177 L178 L179	E114-N175 VanDerWaalsContact OE1-CB 3.31Å; E114-N175 WeakPolarHBondContact OE1-CB 3.44Å; E114-N175 PolarHBondContact OE2-N 3.32Å; N175-L177 PolarHBondContact O-N 3.25Å; N175-L177 VanDerWaalsContact O-N 3.14Å; N175-L177 PolarHBondContact OD1-N 3.15Å; N175-L178 HydrophobicContact CB-CB 4.05Å; N175-L178 PolarHBondContact O-N 3.07Å; N175-L179 WeakPolarHBondContact O-CG 2.74Å; N175-L179 PolarHBondContact O-N 3.45Å
176	I	89.8	Confident	89.5	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-53.2	-37.8	178.5	-67	161	0	0	0	110.8	T113 L115 L174 L178 T180 R245	T113-I176 WeakPolarHBondContact O-CB 3.09Å; T113-I176 WeakPolarHBondContact O-CD1 3.42Å; T113-I176 WeakPolarHBondContact O-CG1 3.41Å; T113-I176 PolarHBondContact O-N 3.02Å; L115-I176 HydrophobicContact CD2-CD1 4.05Å; L115-I176 HydrophobicContact CD2-CG1 3.81Å; L115-I176 HydrophobicContact CG-CG1 4.08Å; L174-I176 PolarHBondContact O-N 2.99Å; I176-L178 PolarHBondContact O-N 3.12Å; I176-T180 PolarHBondContact O-N 2.92Å; I176-R245 HydrophobicContact CD1-CG 4.41Å
177	L	87.2	Confident	89.2	Confident	54 Å²	54	61.2 Å²	61.2	28%	0.283	35%	0.347	S	S	.	.	H	α-helix	trans	-67.6	-32	178.3	-71.8	168.2	0	0	0	113.8	L49 N175 T180	L49-L177 HydrophobicContact CB-CD2 3.63Å; L49-L177 HydrophobicContact CD1-CD2 3.72Å; L49-L177 HydrophobicContact CD2-CD2 3.58Å; L49-L177 HydrophobicContact CD2-CG 4.25Å; L49-L177 HydrophobicContact CG-CD2 3.83Å; N175-L177 PolarHBondContact O-N 3.25Å; N175-L177 VanDerWaalsContact O-N 3.14Å; N175-L177 PolarHBondContact OD1-N 3.15Å; L177-T180 PolarHBondContact O-OG1 2.93Å
178	L	89.6	Confident	89.2	Confident	70 Å²	70	66.5 Å²	66.5	37%	0.366	38%	0.375	S	S	.	.	H	α-helix	trans	-84.5	-35.3	179.4	-162.8	142.9	0	0	0	110.2	S173 N175 I176 T180 L181 T182	S173-L178 VanDerWaalsContact OG-CD2 3.29Å; S173-L178 WeakPolarHBondContact OG-CD2 3.42Å; N175-L178 HydrophobicContact CB-CB 4.05Å; N175-L178 PolarHBondContact O-N 3.07Å; I176-L178 PolarHBondContact O-N 3.12Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 2.97Å; L178-T182 HydrophobicContact CD2-CG2 3.49Å; L178-T182 VanDerWaalsContact CD2-CG2 3.49Å; L178-T182 VanDerWaalsContact CD2-OG1 3.32Å; L178-T182 WeakPolarHBondContact CD2-OG1 3.48Å; L178-T182 HydrophobicContact CG-CG2 4.37Å; L178-T182 PolarHBondContact O-N 3.05Å; L178-T182 PolarHBondContact O-OG1 3.17Å; L178-T182 VanDerWaalsContact O-OG1 3.11Å
179	L	89.1	Confident	89.2	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-31.4	175.7	-73.4	166.5	0	0	0	112.9	L115 L171 N175 L181 A183 I249	L115-L179 HydrophobicContact CD1-CD1 3.51Å; L115-L179 HydrophobicContact CG-CD1 4.24Å; L171-L179 HydrophobicContact CD1-CD2 3.53Å; N175-L179 WeakPolarHBondContact O-CG 2.74Å; N175-L179 PolarHBondContact O-N 3.45Å; L179-L181 PolarHBondContact O-N 2.95Å; L179-A183 WeakPolarHBondContact O-CA 3.44Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 3.39Å; L179-I249 HydrophobicContact CD1-CD1 4.04Å; L179-I249 HydrophobicContact CD2-CD1 4.29Å; L179-I249 HydrophobicContact CD2-CG1 4.4Å
180	T	85.8	Confident	89.1	Confident	69 Å²	69	69.1 Å²	69.1	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-23.2	173.7	53.8	0	0	0	0	113.1	I176 L177 L178 L248	I176-T180 PolarHBondContact O-N 2.92Å; L177-T180 PolarHBondContact O-OG1 2.93Å; L178-T180 VanDerWaalsContact C-N 3.26Å; L178-T180 PolarHBondContact O-N 3.48Å; T180-L248 HydrophobicContact CG2-CD1 3.8Å; T180-L248 HydrophobicContact CG2-CD2 4.48Å
181	L	85.4	Confident	89.3	Confident	149 Å²	149	69 Å²	69	78%	0.78	39%	0.385	S	S	*	.	H	α-helix	trans	-99.5	-33.2	-180	-60	175.1	0	0	0	112.7	L178 L179	L178-L181 PolarHBondContact O-N 2.97Å; L179-L181 PolarHBondContact O-N 2.95Å
182	T	85.4	Confident	89.5	Confident	55 Å²	55	68.7 Å²	68.7	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-107.4	1.9	-173.6	62.8	0	0	0	0	114.6	L178 Q184	L178-T182 HydrophobicContact CD2-CG2 3.49Å; L178-T182 VanDerWaalsContact CD2-CG2 3.49Å; L178-T182 VanDerWaalsContact CD2-OG1 3.32Å; L178-T182 WeakPolarHBondContact CD2-OG1 3.48Å; L178-T182 HydrophobicContact CG-CG2 4.37Å; L178-T182 PolarHBondContact O-N 3.05Å; L178-T182 PolarHBondContact O-OG1 3.17Å; L178-T182 VanDerWaalsContact O-OG1 3.11Å; T182-Q184 PolarHBondContact O-N 3.1Å; T182-Q184 VanDerWaalsContact O-N 3.15Å
183	A	81.8	Confident	89.7	Confident	43 Å²	43	67.2 Å²	67.2	36%	0.355	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-54.5	122.6	177.3	0	0	0	0	0	110.6	L179	L179-A183 WeakPolarHBondContact O-CA 3.44Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 3.39Å
184	Q	83.1	Confident	89.8	Confident	137 Å²	137	71.8 Å²	71.8	64%	0.64	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-92.7	140.9	173.1	-67	178.5	-7.4	0	0	109.1	L171 T182 L186	L171-Q184 HydrophobicContact CD2-CG 4.16Å; T182-Q184 PolarHBondContact O-N 3.1Å; T182-Q184 VanDerWaalsContact O-N 3.15Å; Q184-L186 PolarHBondContact O-N 3.02Å
185	E	86.4	Confident	89.9	Confident	165 Å²	165	73.1 Å²	73.1	77%	0.771	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67.8	129.1	175.8	-66.7	-172.3	172.8	0	0	111.1	S187	E185-S187 PolarHBondContact O-N 3.11Å
186	L	87.1	Confident	90	Very high	29 Å²	29	71.7 Å²	71.7	15%	0.152	38%	0.384	C	S	.	.			trans	-78	114.3	175	-71	176.9	0	0	0	110.9	Q184 I249 L250 N251 L253	Q184-L186 PolarHBondContact O-N 3.02Å; L186-I249 VanDerWaalsContact CD1-O 3.27Å; L186-I249 WeakPolarHBondContact CD1-O 3.32Å; L186-I249 WeakPolarHBondContact CG-O 3.41Å; L186-L250 HydrophobicContact CD1-CD2 4.39Å; L186-N251 PolarHBondContact N-O 3.19Å; L186-N251 VanDerWaalsContact N-O 3.1Å; L186-L253 HydrophobicContact CB-CB 4.1Å
187	S	90.6	Very high	90.3	Very high	78 Å²	78	74.2 Å²	74.2	55%	0.545	40%	0.397	S	S	.	.			trans	-72.4	157.7	173.5	63.9	0	0	0	0	112.4	E185 S189 N192	E185-S187 PolarHBondContact O-N 3.11Å; S187-S189 PolarHBondContact O-N 2.97Å; S187-S189 VanDerWaalsContact O-N 3.07Å; S187-N192 PolarHBondContact N-ND2 3.1Å; S187-N192 VanDerWaalsContact O-CB 3.3Å; S187-N192 WeakPolarHBondContact O-CB 3.46Å; S187-N192 PolarHBondContact O-ND2 3.12Å; S187-N192 PolarHBondContact OG-ND2 3.34Å
188	N	90.8	Very high	90.7	Very high	120 Å²	120	72.5 Å²	72.5	64%	0.642	39%	0.39	S	S	*	.	S	Bend	trans	-75.2	98.8	177.8	-170.4	19.8	0	0	0	111	L253	N188-L253 HydrophobicContact CB-CD1 4.25Å
189	S	94.6	Very high	91	Very high	42 Å²	42	69.2 Å²	69.2	29%	0.294	37%	0.373	S	S	.	.			trans	-142.7	155.5	174.2	71.6	0	0	0	0	110	S187 A191 N192 N193	S187-S189 PolarHBondContact O-N 2.97Å; S187-S189 VanDerWaalsContact O-N 3.07Å; S189-A191 PolarHBondContact O-N 3.44Å; S189-N192 PolarHBondContact O-N 3.47Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.49Å; S189-N192 VanDerWaalsContact OG-CG 3.23Å; S189-N192 PolarHBondContact OG-N 2.99Å; S189-N192 PolarHBondContact OG-ND2 3.04Å; S189-N193 VanDerWaalsContact O-CG 3.27Å; S189-N193 PolarHBondContact O-N 2.83Å
190	W	94.1	Very high	91.3	Very high	218 Å²	218	69.2 Å²	69.2	83%	0.826	37%	0.374	S	S	*	.	H	α-helix	trans	-58.2	-36.6	177.8	-76.2	105.4	0	0	0	112.9	N193 L194	W190-N193 PolarHBondContact O-N 3.46Å; W190-L194 WeakPolarHBondContact O-CG 3.41Å; W190-L194 PolarHBondContact O-N 2.98Å
191	A	94.5	Very high	91.8	Very high	67 Å²	67	68.6 Å²	68.6	55%	0.554	37%	0.366	S	S	*	.	H	α-helix	trans	-62.6	-46	174.9	0	0	0	0	0	111.4	S189 N193 L194 M195	S189-A191 PolarHBondContact O-N 3.44Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 3.01Å; A191-L194 PolarHBondContact O-N 2.74Å; A191-M195 WeakPolarHBondContact O-CB 3.18Å; A191-M195 PolarHBondContact O-N 2.71Å
192	N	94.1	Very high	92.3	Very high	30 Å²	30	61.5 Å²	61.5	16%	0.16	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-32.4	178	-67.4	-15.2	0	0	0	112.3	S187 S189 M195 W196 L253	S187-N192 PolarHBondContact N-ND2 3.1Å; S187-N192 VanDerWaalsContact O-CB 3.3Å; S187-N192 WeakPolarHBondContact O-CB 3.46Å; S187-N192 PolarHBondContact O-ND2 3.12Å; S187-N192 PolarHBondContact OG-ND2 3.34Å; S189-N192 PolarHBondContact O-N 3.47Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.49Å; S189-N192 VanDerWaalsContact OG-CG 3.23Å; S189-N192 PolarHBondContact OG-N 2.99Å; S189-N192 PolarHBondContact OG-ND2 3.04Å; N192-M195 PolarHBondContact O-N 2.99Å; N192-W196 WeakPolarHBondContact O-CB 3.44Å; N192-W196 PolarHBondContact O-N 2.82Å; N192-L253 HydrophobicContact CB-CD2 4.24Å; N192-L253 WeakPolarHBondContact O-CD2 3.47Å
193	N	95.2	Very high	92.8	Very high	23 Å²	23	59 Å²	59	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-43.8	173.3	-68.2	-15.3	0	0	0	111.5	S189 W190 A191 W196 L197 L253 M257	S189-N193 VanDerWaalsContact O-CG 3.27Å; S189-N193 PolarHBondContact O-N 2.83Å; W190-N193 PolarHBondContact O-N 3.46Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 3.01Å; N193-W196 PolarHBondContact O-N 3Å; N193-L197 WeakPolarHBondContact O-CG 3.38Å; N193-L197 PolarHBondContact O-N 3.29Å; N193-L197 VanDerWaalsContact O-N 3.09Å; N193-L253 WeakPolarHBondContact OD1-CD1 3.32Å; N193-L253 WeakPolarHBondContact OD1-CD2 3.41Å; N193-M257 HydrophobicContact CB-CE 3.99Å; N193-M257 HydrophobicContact CB-SD 4.1Å
194	L	95.5	Very high	93.4	Very high	118 Å²	118	56.9 Å²	56.9	62%	0.618	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-39.5	173.9	-73.8	171.4	0	0	0	111.8	W190 A191 L197 A198	W190-L194 WeakPolarHBondContact O-CG 3.41Å; W190-L194 PolarHBondContact O-N 2.98Å; A191-L194 PolarHBondContact O-N 2.74Å; L194-L197 PolarHBondContact O-N 2.87Å; L194-A198 WeakPolarHBondContact O-CB 3.42Å; L194-A198 PolarHBondContact O-N 2.97Å
195	M	94.2	Very high	94.1	Very high	31 Å²	31	50.7 Å²	50.7	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-43.8	175.4	-174.4	64.1	82.3	0	0	111.5	A163 Y166 A191 N192 L197 A198 Y199	A163-M195 HydrophobicContact CB-SD 3.41Å; A163-M195 WeakPolarHBondContact CB-SD 3.27Å; Y166-M195 HydrophobicContact CD1-CE 3.09Å; Y166-M195 HydrophobicContact CD2-CE 4.41Å; Y166-M195 HydrophobicContact CE1-CE 3.55Å; Y166-M195 HydrophobicContact CG-CE 3.57Å; A191-M195 WeakPolarHBondContact O-CB 3.18Å; A191-M195 PolarHBondContact O-N 2.71Å; N192-M195 PolarHBondContact O-N 2.99Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.37Å; M195-A198 WeakPolarHBondContact O-CB 3.04Å; M195-A198 PolarHBondContact O-N 3.36Å; M195-A198 VanDerWaalsContact O-N 3.16Å; M195-Y199 HydrophobicContact CG-CD2 3.82Å; M195-Y199 HydrophobicContact CG-CE2 3.36Å; M195-Y199 WeakPolarHBondContact O-CD2 3.38Å; M195-Y199 PolarHBondContact O-N 3.32Å; M195-Y199 HydrophobicContact SD-CD2 4.23Å; M195-Y199 HydrophobicContact SD-CE2 3.59Å; M195-Y199 VanDerWaalsContact SD-CE2 3.59Å
196	W	96	Very high	94.5	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-41.8	176	-175.7	99.8	0	0	0	112	N192 N193 Y199 T200 L250 L253 M257 F261 L302	N192-W196 WeakPolarHBondContact O-CB 3.44Å; N192-W196 PolarHBondContact O-N 2.82Å; N193-W196 PolarHBondContact O-N 3Å; W196-Y199 PolarHBondContact O-N 3.34Å; W196-T200 HydrophobicContact CD2-CG2 4.07Å; W196-T200 HydrophobicContact CE3-CG2 4.28Å; W196-T200 HydrophobicContact CH2-CG2 4.09Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.46Å; W196-T200 WeakPolarHBondContact O-CB 3.41Å; W196-T200 WeakPolarHBondContact O-CG2 3.33Å; W196-T200 PolarHBondContact O-N 3.4Å; W196-T200 PolarHBondContact O-OG1 2.97Å; W196-L250 HydrophobicContact CB-CD2 4.3Å; W196-L250 HydrophobicContact CG-CD2 4.08Å; W196-L253 HydrophobicContact CB-CD2 3.66Å; W196-L253 HydrophobicContact CG-CD2 4.04Å; W196-M257 HydrophobicContact CD2-CB 3.58Å; W196-M257 HydrophobicContact CD2-CG 4.13Å; W196-M257 HydrophobicContact CE3-CB 3.72Å; W196-M257 HydrophobicContact CE3-CE 3.95Å; W196-M257 HydrophobicContact CE3-CG 4.32Å; W196-M257 HydrophobicContact CG-CB 4.18Å; W196-M257 HydrophobicContact CG-CG 4.28Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.86Å; W196-M257 HydrophobicContact CZ3-CB 3.96Å; W196-M257 HydrophobicContact CZ3-CE 4.5Å; W196-F261 AromaticContact CH2-CD2 3.63Å; W196-F261 HydrophobicContact CH2-CD2 3.63Å; W196-F261 AromaticContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CE2 3.76Å; W196-F261 AromaticContact CZ3-CD2 3.81Å; W196-F261 HydrophobicContact CZ3-CD2 3.81Å; W196-F261 AromaticContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CE2 3.4Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CZ 4.18Å; W196-L302 HydrophobicContact CZ2-CD2 4.38Å
197	L	96.1	Very high	94.6	Very high	57 Å²	57	41.5 Å²	41.5	30%	0.298	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-44.5	173	-73	168.2	0	0	0	111.1	N193 L194 M195 Y199 T200 M201 M257 F261	N193-L197 WeakPolarHBondContact O-CG 3.38Å; N193-L197 PolarHBondContact O-N 3.29Å; N193-L197 VanDerWaalsContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 2.87Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.37Å; L197-Y199 VanDerWaalsContact C-N 3.3Å; L197-Y199 PolarHBondContact O-N 3.21Å; L197-T200 PolarHBondContact O-N 3.33Å; L197-T200 PolarHBondContact O-OG1 3.36Å; L197-M201 HydrophobicContact CB-CG 4.45Å; L197-M201 HydrophobicContact CD2-CG 4.49Å; L197-M201 VanDerWaalsContact O-CB 3.27Å; L197-M201 WeakPolarHBondContact O-CB 3.37Å; L197-M201 WeakPolarHBondContact O-CG 3.48Å; L197-M201 PolarHBondContact O-N 2.91Å; L197-M257 HydrophobicContact CD1-CE 4.35Å; L197-M257 HydrophobicContact CD2-CE 4.48Å; L197-M257 HydrophobicContact CG-CE 4.1Å; L197-F261 HydrophobicContact CD2-CE2 4Å; L197-F261 HydrophobicContact CD2-CZ 3.72Å
198	A	96.3	Very high	94.4	Very high	17 Å²	17	37.9 Å²	37.9	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-40.1	178.6	0	0	0	0	0	112.3	P159 L160 A163 L194 M195	P159-A198 HydrophobicContact CB-CB 3.99Å; L160-A198 VanDerWaalsContact CA-O 3.32Å; L160-A198 WeakPolarHBondContact CA-O 3.49Å; L160-A198 WeakPolarHBondContact CB-O 3.15Å; L160-A198 PolarHBondContact N-O 2.84Å; A163-A198 HydrophobicContact CB-CB 3.9Å; L194-A198 WeakPolarHBondContact O-CB 3.42Å; L194-A198 PolarHBondContact O-N 2.97Å; M195-A198 WeakPolarHBondContact O-CB 3.04Å; M195-A198 PolarHBondContact O-N 3.36Å; M195-A198 VanDerWaalsContact O-N 3.16Å
199	Y	95.1	Very high	94.5	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-67.8	-42.4	174.3	-77.2	-55.6	0	0	0	113.5	L160 A163 L164 T167 M195 W196 L197 F203 L246 I249 L250	L160-Y199 HydrophobicContact CD1-CD1 3.77Å; A163-Y199 HydrophobicContact CB-CD1 3.9Å; A163-Y199 HydrophobicContact CB-CD2 4.47Å; A163-Y199 HydrophobicContact CB-CE1 3.54Å; A163-Y199 HydrophobicContact CB-CE2 4.21Å; A163-Y199 HydrophobicContact CB-CG 4.31Å; A163-Y199 PolarHBondContact O-OH 3.37Å; L164-Y199 HydrophobicContact CD2-CE1 3.97Å; L164-Y199 HydrophobicContact CG-CE1 4.27Å; T167-Y199 WeakPolarHBondContact CB-OH 3.32Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.41Å; T167-Y199 PolarHBondContact OG1-OH 2.89Å; M195-Y199 HydrophobicContact CG-CD2 3.82Å; M195-Y199 HydrophobicContact CG-CE2 3.36Å; M195-Y199 WeakPolarHBondContact O-CD2 3.38Å; M195-Y199 PolarHBondContact O-N 3.32Å; M195-Y199 HydrophobicContact SD-CD2 4.23Å; M195-Y199 HydrophobicContact SD-CE2 3.59Å; M195-Y199 VanDerWaalsContact SD-CE2 3.59Å; W196-Y199 PolarHBondContact O-N 3.34Å; L197-Y199 VanDerWaalsContact C-N 3.3Å; L197-Y199 PolarHBondContact O-N 3.21Å; Y199-F203 WeakPolarHBondContact O-CD2 3.41Å; Y199-F203 WeakPolarHBondContact O-CE2 3.47Å; Y199-L246 HydrophobicContact CD1-CD1 4.01Å; Y199-L246 HydrophobicContact CD1-CD2 4.22Å; Y199-L246 HydrophobicContact CG-CD1 4.43Å; Y199-I249 HydrophobicContact CE2-CG2 4.3Å; Y199-L250 HydrophobicContact CD2-CD2 3.52Å; Y199-L250 HydrophobicContact CE2-CD2 4.48Å; Y199-L250 HydrophobicContact CG-CD2 3.95Å
200	T	95.4	Very high	94.6	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-87.6	-33.2	-168.9	53.5	0	0	0	0	113.6	W196 L197 A202 F203 M204 L250	W196-T200 HydrophobicContact CD2-CG2 4.07Å; W196-T200 HydrophobicContact CE3-CG2 4.28Å; W196-T200 HydrophobicContact CH2-CG2 4.09Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.46Å; W196-T200 WeakPolarHBondContact O-CB 3.41Å; W196-T200 WeakPolarHBondContact O-CG2 3.33Å; W196-T200 PolarHBondContact O-N 3.4Å; W196-T200 PolarHBondContact O-OG1 2.97Å; L197-T200 PolarHBondContact O-N 3.33Å; L197-T200 PolarHBondContact O-OG1 3.36Å; T200-A202 PolarHBondContact O-N 3.2Å; T200-F203 PolarHBondContact O-N 2.93Å; T200-M204 WeakPolarHBondContact O-CG 3.42Å; T200-M204 PolarHBondContact O-N 3.39Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å
201	M	95.5	Very high	94.6	Very high	55 Å²	55	25.2 Å²	25.2	27%	0.271	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-38	-170.6	-76.1	-61.1	-63.1	0	0	113.8	L197 F203 M204 V205 L212 F261	L197-M201 HydrophobicContact CB-CG 4.45Å; L197-M201 HydrophobicContact CD2-CG 4.49Å; L197-M201 VanDerWaalsContact O-CB 3.27Å; L197-M201 WeakPolarHBondContact O-CB 3.37Å; L197-M201 WeakPolarHBondContact O-CG 3.48Å; L197-M201 PolarHBondContact O-N 2.91Å; M201-F203 VanDerWaalsContact C-N 3.27Å; M201-F203 PolarHBondContact O-N 3.22Å; M201-M204 PolarHBondContact O-N 3.47Å; M201-V205 WeakPolarHBondContact O-CG2 3.33Å; M201-V205 PolarHBondContact O-N 3.22Å; M201-L212 HydrophobicContact CE-CD1 3.76Å; M201-F261 HydrophobicContact SD-CE1 4.06Å; M201-F261 HydrophobicContact SD-CZ 4.19Å
202	A	95.6	Very high	94.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-43.9	175.5	0	0	0	0	0	112	G156 L160 T200 V205 K206	G156-A202 WeakPolarHBondContact O-CA 3.39Å; G156-A202 WeakPolarHBondContact O-CB 3.44Å; G156-A202 PolarHBondContact O-N 3.48Å; L160-A202 HydrophobicContact CB-CB 3.9Å; L160-A202 HydrophobicContact CD2-CB 3.66Å; L160-A202 HydrophobicContact CG-CB 4.38Å; T200-A202 PolarHBondContact O-N 3.2Å; A202-V205 PolarHBondContact O-N 2.79Å; A202-K206 PolarHBondContact O-N 3.33Å
203	F	96.6	Very high	94.8	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-79.4	-30.3	-179.2	-52.5	-66.9	0	0	0	112.4	F118 F122 L160 Y199 T200 M201 V205 K206 M207 G239 M243 L246	F118-F203 AromaticContact CE1-CE1 3.65Å; F118-F203 HydrophobicContact CE1-CE1 3.65Å; F118-F203 AromaticContact CE1-CZ 3.73Å; F118-F203 HydrophobicContact CE1-CZ 3.73Å; F118-F203 AromaticContact CZ-CE1 3.82Å; F118-F203 HydrophobicContact CZ-CE1 3.82Å; F118-F203 HydrophobicContact CZ-CZ 4.36Å; F122-F203 HydrophobicContact CE2-CD1 4.24Å; F122-F203 HydrophobicContact CE2-CE1 4.13Å; F122-F203 HydrophobicContact CZ-CD1 4.34Å; F122-F203 HydrophobicContact CZ-CE1 4.24Å; L160-F203 HydrophobicContact CD1-CE2 3.96Å; L160-F203 HydrophobicContact CD1-CZ 4.28Å; L160-F203 HydrophobicContact CD2-CE1 4.25Å; L160-F203 HydrophobicContact CD2-CE2 3.74Å; L160-F203 HydrophobicContact CD2-CZ 3.44Å; L160-F203 VanDerWaalsContact CD2-CZ 3.44Å; Y199-F203 WeakPolarHBondContact O-CD2 3.41Å; Y199-F203 WeakPolarHBondContact O-CE2 3.47Å; T200-F203 PolarHBondContact O-N 2.93Å; M201-F203 VanDerWaalsContact C-N 3.27Å; M201-F203 PolarHBondContact O-N 3.22Å; F203-V205 PolarHBondContact O-N 3.41Å; F203-K206 PolarHBondContact O-N 2.97Å; F203-M207 WeakPolarHBondContact O-CA 3.33Å; F203-M207 WeakPolarHBondContact O-CB 2.89Å; F203-M207 PolarHBondContact O-N 2.65Å; F203-G239 WeakPolarHBondContact CB-O 3.21Å; F203-M243 HydrophobicContact CB-CG 3.44Å; F203-M243 VanDerWaalsContact CB-CG 3.44Å; F203-M243 HydrophobicContact CB-SD 4.26Å; F203-M243 HydrophobicContact CD2-CG 4.29Å; F203-M243 HydrophobicContact CG-CG 4.05Å; F203-L246 HydrophobicContact CD2-CD1 4.02Å; F203-L246 HydrophobicContact CE2-CD1 3.18Å; F203-L246 HydrophobicContact CE2-CG 4.35Å; F203-L246 HydrophobicContact CZ-CD1 3.86Å
204	M	95.6	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.2	-18.5	171.6	-66	-62.6	-171.4	0	0	113.5	T200 M201 M207 L209 M243 F261 V298 L302	T200-M204 WeakPolarHBondContact O-CG 3.42Å; T200-M204 PolarHBondContact O-N 3.39Å; M201-M204 PolarHBondContact O-N 3.47Å; M204-M207 CarbonylContact C-O 3.53Å; M204-L209 HydrophobicContact CB-CB 4.31Å; M204-L209 WeakPolarHBondContact O-CB 3.13Å; M204-L209 PolarHBondContact O-N 3.21Å; M204-L209 HydrophobicContact SD-CD1 4.23Å; M204-M243 HydrophobicContact CE-CE 3.34Å; M204-M243 HydrophobicContact CE-SD 3.99Å; M204-M243 HydrophobicContact SD-CE 4.15Å; M204-M243 HydrophobicContact SD-SD 4Å; M204-F261 HydrophobicContact CE-CB 4.16Å; M204-F261 HydrophobicContact CE-CD1 4.28Å; M204-F261 HydrophobicContact CE-CG 4.24Å; M204-V298 HydrophobicContact CE-CG1 4.13Å; M204-V298 HydrophobicContact SD-CG1 3.91Å; M204-L302 HydrophobicContact CE-CD1 4.01Å; M204-L302 HydrophobicContact CE-CD2 3.91Å; M204-L302 HydrophobicContact CE-CG 4.23Å
205	V	96.8	Very high	94.9	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.036	12%	0.117	C	C	.	.	H	α-helix	trans	-80.7	-44	168.4	172	0	0	0	0	110.5	Y152 T153 M201 A202 F203 L212 W215	Y152-V205 HydrophobicContact CD1-CG1 4.44Å; Y152-V205 WeakPolarHBondContact O-CG1 3.17Å; T153-V205 HydrophobicContact CG2-CG1 4.35Å; M201-V205 WeakPolarHBondContact O-CG2 3.33Å; M201-V205 PolarHBondContact O-N 3.22Å; A202-V205 PolarHBondContact O-N 2.79Å; F203-V205 PolarHBondContact O-N 3.41Å; V205-L212 HydrophobicContact CG2-CD1 3.98Å; V205-W215 WeakPolarHBondContact O-CZ2 3.16Å; V205-W215 PolarHBondContact O-NE1 3.35Å
206	K	94.3	Very high	94.9	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-70.7	-44.2	-179.8	-72.7	-76.4	-169	166.5	0	113.4	F122 T153 A202 F203 P208 L236	F122-K206 HydrophobicContact CE2-CD 4.13Å; F122-K206 HydrophobicContact CE2-CG 3.7Å; F122-K206 HydrophobicContact CZ-CD 4.03Å; F122-K206 VanDerWaalsContact CZ-CE 3.42Å; F122-K206 HydrophobicContact CZ-CG 3.45Å; F122-K206 VanDerWaalsContact CZ-CG 3.45Å; T153-K206 HydrophobicContact CG2-CD 3.79Å; T153-K206 VanDerWaalsContact CG2-CE 3.49Å; A202-K206 PolarHBondContact O-N 3.33Å; F203-K206 PolarHBondContact O-N 2.97Å; K206-P208 VanDerWaalsContact O-CD 3.24Å; K206-P208 WeakPolarHBondContact O-CD 3.23Å; K206-L236 WeakPolarHBondContact O-CD2 3.36Å
207	M	90.2	Very high	94.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	97.2	159.4	-69.4	-135.5	-71.2	0	0	105.7	F203 M204 L209 L236 G240 M243 V297 V298 I301	F203-M207 WeakPolarHBondContact O-CA 3.33Å; F203-M207 WeakPolarHBondContact O-CB 2.89Å; F203-M207 PolarHBondContact O-N 2.65Å; M204-M207 CarbonylContact C-O 3.53Å; M207-L209 VanDerWaalsContact C-N 3.33Å; M207-L209 PolarHBondContact O-N 2.99Å; M207-L236 WeakPolarHBondContact CG-O 3.47Å; M207-G240 VanDerWaalsContact CG-N 3.32Å; M207-G240 VanDerWaalsContact SD-CA 3.57Å; M207-G240 PolarHBondContact SD-N 2.86Å; M207-G240 VanDerWaalsContact SD-N 3.42Å; M207-M243 HydrophobicContact CE-SD 3.59Å; M207-M243 VanDerWaalsContact CE-SD 3.59Å; M207-V297 HydrophobicContact CE-CG1 4.08Å; M207-V297 HydrophobicContact SD-CB 4.3Å; M207-V297 HydrophobicContact SD-CG1 3.76Å; M207-V298 HydrophobicContact CB-CG2 3.99Å; M207-V298 HydrophobicContact CE-CB 4.29Å; M207-V298 HydrophobicContact CE-CG2 3.47Å; M207-V298 VanDerWaalsContact CE-CG2 3.47Å; M207-V298 HydrophobicContact SD-CG2 4.25Å; M207-I301 HydrophobicContact CE-CD1 3.69Å
208	P	86.4	Confident	94.7	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.013	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	91.6	-166.7	31.6	-44.2	0	0	0	110.5	K206 H213 L216 L236 I291	K206-P208 VanDerWaalsContact O-CD 3.24Å; K206-P208 WeakPolarHBondContact O-CD 3.23Å; P208-H213 HydrophobicContact CB-CB 3.65Å; P208-L216 HydrophobicContact CB-CD1 3.97Å; P208-L216 HydrophobicContact CG-CD1 3.48Å; P208-L216 VanDerWaalsContact CG-CD1 3.48Å; P208-L236 HydrophobicContact CG-CD2 4.46Å; P208-I291 HydrophobicContact CB-CG1 4.25Å; P208-I291 HydrophobicContact CG-CB 4.41Å; P208-I291 HydrophobicContact CG-CG1 3.88Å; P208-I291 HydrophobicContact CG-CG2 4.3Å
209	L	93.3	Very high	94.6	Very high	8 Å²	8	20 Å²	20	4%	0.042	11%	0.109	C	C	.	.			trans	-60.2	145.1	174	-174.6	78.3	0	0	0	107.9	M204 M207 G211 L212 H213 F261 L264 V298	M204-L209 HydrophobicContact CB-CB 4.31Å; M204-L209 WeakPolarHBondContact O-CB 3.13Å; M204-L209 PolarHBondContact O-N 3.21Å; M204-L209 HydrophobicContact SD-CD1 4.23Å; M207-L209 VanDerWaalsContact C-N 3.33Å; M207-L209 PolarHBondContact O-N 2.99Å; L209-G211 PolarHBondContact O-N 3.44Å; L209-L212 HydrophobicContact CB-CB 4.46Å; L209-L212 HydrophobicContact CB-CD1 4.4Å; L209-L212 HydrophobicContact CD2-CD1 4.41Å; L209-L212 CarbonylContact O-C 3.4Å; L209-L212 WeakPolarHBondContact O-CA 3.45Å; L209-L212 PolarHBondContact O-N 2.91Å; L209-H213 PolarHBondContact O-N 3.49Å; L209-F261 HydrophobicContact CD1-CD1 4.46Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.97Å; L209-L264 HydrophobicContact CD1-CB 4.3Å; L209-L264 HydrophobicContact CD2-CB 4.49Å; L209-L264 HydrophobicContact CD2-CD1 3.96Å; L209-L264 HydrophobicContact CG-CB 4.42Å; L209-V298 HydrophobicContact CD1-CG1 4.14Å
210	Y	95.3	Very high	94.6	Very high	58 Å²	58	20 Å²	20	23%	0.227	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	135.5	170.2	-170.7	-104.4	0	0	0	110.6	L212 H213 L264 G268 M271 T272	Y210-L212 PolarHBondContact O-N 3.18Å; Y210-H213 AromaticContact CD2-CE1 3.57Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.73Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.45Å; Y210-G268 VanDerWaalsContact CG-CA 3.43Å; Y210-M271 HydrophobicContact CE2-CB 3.79Å; Y210-T272 HydrophobicContact CD2-CG2 3.97Å; Y210-T272 HydrophobicContact CE2-CG2 4.21Å
211	G	95	Very high	94.5	Very high	48 Å²	48	20.4 Å²	20.4	50%	0.495	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-41.5	-164.2	0	0	0	0	0	115.2	L209 H213	L209-G211 PolarHBondContact O-N 3.44Å; G211-H213 PolarHBondContact N-ND1 3.29Å
212	L	96	Very high	94.4	Very high	44 Å²	44	18.4 Å²	18.4	23%	0.23	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.1	179.1	-60.6	175.2	0	0	0	113.7	M201 V205 L209 Y210 L214 W215	M201-L212 HydrophobicContact CE-CD1 3.76Å; V205-L212 HydrophobicContact CG2-CD1 3.98Å; L209-L212 HydrophobicContact CB-CB 4.46Å; L209-L212 HydrophobicContact CB-CD1 4.4Å; L209-L212 HydrophobicContact CD2-CD1 4.41Å; L209-L212 CarbonylContact O-C 3.4Å; L209-L212 WeakPolarHBondContact O-CA 3.45Å; L209-L212 PolarHBondContact O-N 2.91Å; Y210-L212 PolarHBondContact O-N 3.18Å; L212-L214 PolarHBondContact O-N 3.3Å; L212-W215 PolarHBondContact O-NE1 3.45Å
213	H	96.6	Very high	94.4	Very high	13 Å²	13	18.5 Å²	18.5	6%	0.06	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.7	-172.8	65.9	-83.9	0	0	0	116	P208 L209 Y210 G211 W215 L216 P217 I291	P208-H213 HydrophobicContact CB-CB 3.65Å; L209-H213 PolarHBondContact O-N 3.49Å; Y210-H213 AromaticContact CD2-CE1 3.57Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.73Å; G211-H213 PolarHBondContact N-ND1 3.29Å; H213-W215 PolarHBondContact O-N 3.43Å; H213-W215 VanDerWaalsContact O-N 3.07Å; H213-L216 WeakPolarHBondContact O-CB 3.39Å; H213-L216 PolarHBondContact O-N 3.5Å; H213-P217 WeakPolarHBondContact O-CD 3.36Å; H213-I291 HydrophobicContact CB-CD1 3.75Å; H213-I291 HydrophobicContact CB-CG1 4.13Å; H213-I291 HydrophobicContact CB-CG2 3.94Å
214	L	96.1	Very high	94.4	Very high	83 Å²	83	18.8 Å²	18.8	44%	0.435	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.7	-169.7	-68.2	176.7	0	0	0	114.6	L212 L216	L212-L214 PolarHBondContact O-N 3.3Å; L214-L216 VanDerWaalsContact C-N 3.29Å
215	W	96.4	Very high	94.4	Very high	2 Å²	2	19 Å²	19	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-68.6	-30.1	176	67.9	-95.8	0	0	0	112.1	F149 Y152 V205 L212 H213 K218 A219 L236	F149-W215 HydrophobicContact CD2-CD2 4.33Å; F149-W215 AromaticContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CH2 4.28Å; F149-W215 AromaticContact CD2-CZ3 3.49Å; F149-W215 HydrophobicContact CD2-CZ3 3.49Å; F149-W215 VanDerWaalsContact CD2-CZ3 3.49Å; F149-W215 HydrophobicContact CE2-CE3 4.23Å; F149-W215 HydrophobicContact CE2-CH2 4.18Å; F149-W215 AromaticContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CE2-CZ3 3.72Å; Y152-W215 AromaticContact CD1-CD1 3.63Å; Y152-W215 HydrophobicContact CD1-CG 4.43Å; Y152-W215 HydrophobicContact CG-CB 4.3Å; Y152-W215 AromaticContact CG-CD1 3.98Å; Y152-W215 HydrophobicContact CG-CG 4.43Å; V205-W215 WeakPolarHBondContact O-CZ2 3.16Å; V205-W215 PolarHBondContact O-NE1 3.35Å; L212-W215 PolarHBondContact O-NE1 3.45Å; H213-W215 PolarHBondContact O-N 3.43Å; H213-W215 VanDerWaalsContact O-N 3.07Å; W215-K218 PolarHBondContact O-N 2.62Å; W215-A219 HydrophobicContact CE3-CB 3.94Å; W215-A219 HydrophobicContact CZ3-CB 4.26Å; W215-A219 VanDerWaalsContact O-CB 3.24Å; W215-A219 WeakPolarHBondContact O-CB 3.32Å; W215-A219 PolarHBondContact O-N 2.85Å; W215-L236 HydrophobicContact CH2-CD2 3.79Å; W215-L236 HydrophobicContact CZ2-CD2 4.22Å
216	L	94	Very high	94.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.3	-51	-168.5	-170.3	164.3	0	0	0	112.6	P208 H213 L214 K218 A219 H220 L236 A287 I291	P208-L216 HydrophobicContact CB-CD1 3.97Å; P208-L216 HydrophobicContact CG-CD1 3.48Å; P208-L216 VanDerWaalsContact CG-CD1 3.48Å; H213-L216 WeakPolarHBondContact O-CB 3.39Å; H213-L216 PolarHBondContact O-N 3.5Å; L214-L216 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 2.84Å; L216-A219 PolarHBondContact O-N 3.42Å; L216-H220 WeakPolarHBondContact CD2-CD2 3.43Å; L216-H220 VanDerWaalsContact CG-CD2 3.41Å; L216-H220 WeakPolarHBondContact CG-CD2 3.21Å; L216-H220 PolarHBondContact O-CD2 2.68Å; L216-H220 VanDerWaalsContact O-CD2 3.32Å; L216-H220 PolarHBondContact O-N 2.81Å; L216-L236 HydrophobicContact CD1-CD1 3.99Å; L216-L236 HydrophobicContact CD1-CD2 3.54Å; L216-L236 HydrophobicContact CD1-CG 4.42Å; L216-A287 HydrophobicContact CD2-CB 3.67Å; L216-A287 WeakPolarHBondContact CD2-O 3.42Å; L216-I291 HydrophobicContact CB-CD1 4.39Å; L216-I291 HydrophobicContact CD1-CG1 3.91Å; L216-I291 HydrophobicContact CD2-CD1 4.26Å; L216-I291 HydrophobicContact CD2-CG1 4.18Å; L216-I291 HydrophobicContact CG-CG1 4.45Å
217	P	94.9	Very high	94.3	Very high	12 Å²	12	19 Å²	19	8%	0.078	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-39.2	177	-25.7	35.3	0	0	0	111.9	H213 V221 Y288 I291	H213-P217 WeakPolarHBondContact O-CD 3.36Å; P217-V221 WeakPolarHBondContact O-CB 3.23Å; P217-V221 WeakPolarHBondContact O-CG2 3.39Å; P217-V221 PolarHBondContact O-N 3.46Å; P217-V221 VanDerWaalsContact O-N 3.14Å; P217-Y288 HydrophobicContact CB-CE2 3.9Å; P217-Y288 HydrophobicContact CG-CD1 4.32Å; P217-Y288 HydrophobicContact CG-CD2 4.34Å; P217-Y288 HydrophobicContact CG-CE1 3.79Å; P217-Y288 HydrophobicContact CG-CE2 3.79Å; P217-Y288 VanDerWaalsContact CG-CZ 3.49Å; P217-I291 HydrophobicContact CG-CD1 4.09Å
218	K	93.6	Very high	94.5	Very high	80 Å²	80	19 Å²	19	35%	0.348	11%	0.107	S	C	.	.	H	α-helix	trans	-67.1	-49.5	176.3	-63.9	178.4	-177.9	173.9	0	111.9	A145 Y148 W215 L216 H220 V221 E222	A145-K218 HydrophobicContact CB-CB 4Å; Y148-K218 HydrophobicContact CD2-CD 3.86Å; Y148-K218 HydrophobicContact CE2-CD 4.17Å; Y148-K218 HydrophobicContact CG-CD 4.32Å; W215-K218 PolarHBondContact O-N 2.62Å; L216-K218 PolarHBondContact O-N 2.84Å; K218-H220 PolarHBondContact O-N 3.15Å; K218-V221 PolarHBondContact O-N 3.21Å; K218-E222 WeakPolarHBondContact O-CB 3.47Å; K218-E222 PolarHBondContact O-N 3.44Å
219	A	94.3	Very high	95.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-44.6	-177.1	0	0	0	0	0	112.2	W215 L216 A223 L231	W215-A219 HydrophobicContact CE3-CB 3.94Å; W215-A219 HydrophobicContact CZ3-CB 4.26Å; W215-A219 VanDerWaalsContact O-CB 3.24Å; W215-A219 WeakPolarHBondContact O-CB 3.32Å; W215-A219 PolarHBondContact O-N 2.85Å; L216-A219 PolarHBondContact O-N 3.42Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 3.37Å; A219-L231 HydrophobicContact CB-CD1 4.47Å
220	H	94.3	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.9	-39.6	179.3	-81.1	-94.4	0	0	0	113.5	L216 K218 E222 L231 A232 A287 F327	L216-H220 WeakPolarHBondContact CD2-CD2 3.43Å; L216-H220 VanDerWaalsContact CG-CD2 3.41Å; L216-H220 WeakPolarHBondContact CG-CD2 3.21Å; L216-H220 PolarHBondContact O-CD2 2.68Å; L216-H220 VanDerWaalsContact O-CD2 3.32Å; L216-H220 PolarHBondContact O-N 2.81Å; K218-H220 PolarHBondContact O-N 3.15Å; H220-E222 VanDerWaalsContact C-N 3.34Å; H220-L231 VanDerWaalsContact CE1-CB 3.43Å; H220-L231 WeakPolarHBondContact CE1-CB 3.34Å; H220-A232 PolarHBondContact CE1-N 3.05Å; H220-A232 VanDerWaalsContact CE1-N 3.32Å; H220-A287 HydrophobicContact CB-CB 3.97Å; H220-F327 HydrophobicContact CB-CE1 4.1Å; H220-F327 HydrophobicContact CB-CZ 3.88Å; H220-F327 AromaticContact CE1-CE2 4Å; H220-F327 AromaticContact CG-CZ 3.79Å; H220-F327 AromaticContact ND1-CE2 3.44Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.18Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.34Å
221	V	93.9	Very high	95.2	Very high	14 Å²	14	16.4 Å²	16.4	9%	0.085	10%	0.097	C	C	.	.	H	α-helix	trans	-69	-37.7	-177.1	169.7	0	0	0	0	110.7	P217 K218 K283 R340	P217-V221 WeakPolarHBondContact O-CB 3.23Å; P217-V221 WeakPolarHBondContact O-CG2 3.39Å; P217-V221 PolarHBondContact O-N 3.46Å; P217-V221 VanDerWaalsContact O-N 3.14Å; K218-V221 PolarHBondContact O-N 3.21Å; V221-K283 HydrophobicContact CG2-CB 4.03Å; V221-R340 PolarHBondContact O-NH1 3.32Å
222	E	94.4	Very high	95.1	Very high	13 Å²	13	14.1 Å²	14.1	6%	0.061	7%	0.074	C	C	.	.	H	α-helix	trans	-91.3	-15.5	-178.6	-60.9	-49.1	144.9	0	0	115.6	G137 Q139 E141 R142 A145 K218 H220 R340	G137-E222 WeakPolarHBondContact CA-O 3.48Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.44Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.3Å; E141-E222 HydrophobicContact CB-CG 4.15Å; R142-E222 HydrophobicContact CB-CB 4.19Å; A145-E222 HydrophobicContact CB-CB 4.09Å; A145-E222 HydrophobicContact CB-CG 4.26Å; K218-E222 WeakPolarHBondContact O-CB 3.47Å; K218-E222 PolarHBondContact O-N 3.44Å; H220-E222 VanDerWaalsContact C-N 3.34Å; E222-R340 IonicContact OE1-CZ 3.36Å; E222-R340 IonicContact OE1-NH1 3.11Å; E222-R340 PolarHBondContact OE1-NH1 3.46Å; E222-R340 IonicContact OE1-NH2 3.96Å; E222-R340 PolarHBondContact OE1-NH2 3.45Å; E222-R340 IonicContact OE2-NH1 3.13Å; E222-R340 PolarHBondContact OE2-NH1 2.91Å
223	A	95.1	Very high	95	Very high	3 Å²	3	12 Å²	12	3%	0.025	6%	0.063	C	C	.	.	S	Bend	trans	-66.2	147.4	172	0	0	0	0	0	112.3	I133 A219 L231 K283	I133-A223 HydrophobicContact CG1-CB 4.1Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 3.37Å; A223-L231 HydrophobicContact CB-CD1 4.2Å; A223-K283 PolarHBondContact O-NZ 3.14Å
224	P	95.7	Very high	95	Very high	6 Å²	6	11.5 Å²	11.5	4%	0.039	6%	0.061	C	C	.	.			trans	-63.1	165.3	162.1	30.1	-34.9	0	0	0	110.2	Y95 I132 W136 A226 G227 S228	Y95-P224 HydrophobicContact CE2-CG 4.4Å; I132-P224 HydrophobicContact CG2-CG 3.59Å; W136-P224 HydrophobicContact CB-CG 4.09Å; W136-P224 WeakPolarHBondContact O-CB 3.47Å; P224-A226 PolarHBondContact O-N 3Å; P224-G227 WeakPolarHBondContact O-CA 3.49Å; P224-G227 PolarHBondContact O-N 2.88Å; P224-S228 PolarHBondContact O-N 3.38Å; P224-S228 PolarHBondContact O-OG 3Å
225	I	96.1	Very high	95	Very high	6 Å²	6	7.7 Å²	7.7	3%	0.031	4%	0.041	C	C	.	.	H	α-helix	trans	-52.8	-47.3	-173.4	-174.9	50.9	0	0	0	113.5	A79 G227 S228 M229 F327 N331	A79-I225 HydrophobicContact CB-CG1 3.91Å; A79-I225 HydrophobicContact CB-CG2 3.86Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 3.07Å; I225-S228 WeakPolarHBondContact CA-OG 3.48Å; I225-S228 PolarHBondContact O-N 3.06Å; I225-S228 PolarHBondContact O-OG 3.48Å; I225-M229 HydrophobicContact CD1-CG 4.05Å; I225-M229 HydrophobicContact CD1-SD 4.29Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 3.97Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.2Å; I225-M229 PolarHBondContact O-N 3.44Å; I225-F327 HydrophobicContact CD1-CB 4.04Å; I225-F327 WeakPolarHBondContact CD1-O 3.17Å; I225-N331 HydrophobicContact CB-CB 4.25Å; I225-N331 HydrophobicContact CD1-CB 3.72Å; I225-N331 HydrophobicContact CG1-CB 3.85Å
226	A	94.3	Very high	94.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.8	-39.5	177.6	0	0	0	0	0	112.5	T76 Y95 L99 P224 M229 V230	T76-A226 HydrophobicContact CG2-CB 4.33Å; Y95-A226 HydrophobicContact CE1-CB 4.46Å; Y95-A226 WeakPolarHBondContact OH-CB 3.33Å; L99-A226 HydrophobicContact CD1-CB 4.17Å; L99-A226 HydrophobicContact CD2-CB 3.87Å; P224-A226 PolarHBondContact O-N 3Å; A226-M229 PolarHBondContact O-N 3.46Å; A226-V230 WeakPolarHBondContact O-CG2 3.28Å; A226-V230 PolarHBondContact O-N 2.98Å
227	G	94.4	Very high	95	Very high	7 Å²	7	7.6 Å²	7.6	7%	0.072	4%	0.04	C	C	.	.	H	α-helix	trans	-62.2	-49	176.2	0	0	0	0	0	111	P224 I225 M229 V230 L231	P224-G227 WeakPolarHBondContact O-CA 3.49Å; P224-G227 PolarHBondContact O-N 2.88Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 3.07Å; G227-M229 VanDerWaalsContact C-N 3.31Å; G227-M229 PolarHBondContact O-N 3.41Å; G227-V230 PolarHBondContact O-N 3.47Å; G227-L231 VanDerWaalsContact O-CB 3.26Å; G227-L231 WeakPolarHBondContact O-CB 3.38Å; G227-L231 WeakPolarHBondContact O-CD1 3.37Å; G227-L231 WeakPolarHBondContact O-CG 3.32Å; G227-L231 PolarHBondContact O-N 2.81Å
228	S	95.8	Very high	95	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.2	-37	176.7	55.2	0	0	0	0	113.1	P224 I225 A232	P224-S228 PolarHBondContact O-N 3.38Å; P224-S228 PolarHBondContact O-OG 3Å; I225-S228 WeakPolarHBondContact CA-OG 3.48Å; I225-S228 PolarHBondContact O-N 3.06Å; I225-S228 PolarHBondContact O-OG 3.48Å; S228-A232 VanDerWaalsContact O-CB 3.24Å; S228-A232 WeakPolarHBondContact O-CB 3.39Å; S228-A232 PolarHBondContact O-N 2.98Å
229	M	97.4	Very high	95.1	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.8	-50.2	176.4	-68.7	166.6	77.1	0	0	111.6	L72 L75 T76 A79 I225 A226 G227 A232 A233 C328 H440	L72-M229 HydrophobicContact CD1-CE 4.34Å; L75-M229 HydrophobicContact CB-CE 3.92Å; T76-M229 HydrophobicContact CG2-CB 3.95Å; T76-M229 HydrophobicContact CG2-CE 3.94Å; T76-M229 HydrophobicContact CG2-SD 3.99Å; A79-M229 HydrophobicContact CB-CE 4.37Å; A79-M229 HydrophobicContact CB-SD 3.57Å; A79-M229 VanDerWaalsContact CB-SD 3.57Å; I225-M229 HydrophobicContact CD1-CG 4.05Å; I225-M229 HydrophobicContact CD1-SD 4.29Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 3.97Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.2Å; I225-M229 PolarHBondContact O-N 3.44Å; A226-M229 PolarHBondContact O-N 3.46Å; G227-M229 VanDerWaalsContact C-N 3.31Å; G227-M229 PolarHBondContact O-N 3.41Å; M229-A232 PolarHBondContact O-N 2.74Å; M229-A233 WeakPolarHBondContact O-CB 3.38Å; M229-A233 PolarHBondContact O-N 3.09Å; M229-C328 VanDerWaalsContact CE-SG 3.6Å; M229-C328 PolarHBondContact SD-SG 3.44Å; M229-H440 WeakPolarHBondContact CE-NE2 3.47Å
230	V	96.8	Very high	95.2	Very high	11 Å²	11	3.2 Å²	3.2	7%	0.067	2%	0.02	C	C	.	.	H	α-helix	trans	-68.6	-38.8	-178.5	-176.8	0	0	0	0	111.5	L72 T76 L102 L106 A226 G227 V234 L235	L72-V230 HydrophobicContact CD2-CB 4.24Å; L72-V230 HydrophobicContact CD2-CG2 3.88Å; T76-V230 HydrophobicContact CG2-CG2 3.75Å; L102-V230 HydrophobicContact CD2-CB 4.11Å; L102-V230 HydrophobicContact CD2-CG1 3.51Å; L102-V230 HydrophobicContact CD2-CG2 4.32Å; L102-V230 HydrophobicContact CG-CG1 4.16Å; L106-V230 HydrophobicContact CD1-CG1 4.01Å; A226-V230 WeakPolarHBondContact O-CG2 3.28Å; A226-V230 PolarHBondContact O-N 2.98Å; G227-V230 PolarHBondContact O-N 3.47Å; V230-V234 PolarHBondContact O-N 3.24Å; V230-L235 HydrophobicContact CG1-CD1 4.11Å; V230-L235 HydrophobicContact CG1-CG 4.26Å; V230-L235 PolarHBondContact O-N 3.28Å; V230-L235 VanDerWaalsContact O-N 3.1Å
231	L	94.1	Very high	95.3	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.01	2%	0.02	C	C	.	.	I	π-helix	trans	-55.5	-52.7	171.7	-75	163.3	0	0	0	110.7	I133 F149 A219 H220 A223 G227 L235 L236	I133-L231 HydrophobicContact CD1-CD1 4.1Å; I133-L231 HydrophobicContact CG1-CD1 4.49Å; F149-L231 HydrophobicContact CE2-CD2 3.97Å; F149-L231 HydrophobicContact CZ-CD2 4.14Å; A219-L231 HydrophobicContact CB-CD1 4.47Å; H220-L231 VanDerWaalsContact CE1-CB 3.43Å; H220-L231 WeakPolarHBondContact CE1-CB 3.34Å; A223-L231 HydrophobicContact CB-CD1 4.2Å; G227-L231 VanDerWaalsContact O-CB 3.26Å; G227-L231 WeakPolarHBondContact O-CB 3.38Å; G227-L231 WeakPolarHBondContact O-CD1 3.37Å; G227-L231 WeakPolarHBondContact O-CG 3.32Å; G227-L231 PolarHBondContact O-N 2.81Å; L231-L235 HydrophobicContact CB-CD1 4.43Å; L231-L235 HydrophobicContact CD2-CB 4.36Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.92Å; L231-L235 PolarHBondContact O-N 3.24Å; L231-L236 WeakPolarHBondContact O-CG 3.05Å; L231-L236 PolarHBondContact O-N 3.37Å
232	A	92.5	Very high	95.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.	I	π-helix	trans	-69.5	-48.8	-174.6	0	0	0	0	0	111.5	H220 S228 M229 K237 S323 F327	H220-A232 PolarHBondContact CE1-N 3.05Å; H220-A232 VanDerWaalsContact CE1-N 3.32Å; S228-A232 VanDerWaalsContact O-CB 3.24Å; S228-A232 WeakPolarHBondContact O-CB 3.39Å; S228-A232 PolarHBondContact O-N 2.98Å; M229-A232 PolarHBondContact O-N 2.74Å; A232-K237 PolarHBondContact O-NZ 2.89Å; A232-S323 WeakPolarHBondContact CB-OG 3.19Å; A232-F327 HydrophobicContact CB-CD2 3.85Å; A232-F327 HydrophobicContact CB-CE2 3.68Å
233	A	94.4	Very high	95.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.016	C	C	.	.	I	π-helix	trans	-74.2	-39.3	-170.2	0	0	0	0	0	113.1	L68 L72 M229 K237 G320	L68-A233 WeakPolarHBondContact CD2-O 3.15Å; L72-A233 HydrophobicContact CD1-CB 3.95Å; L72-A233 HydrophobicContact CD2-CB 3.62Å; L72-A233 HydrophobicContact CG-CB 4.43Å; M229-A233 WeakPolarHBondContact O-CB 3.38Å; M229-A233 PolarHBondContact O-N 3.09Å; A233-K237 VanDerWaalsContact O-CD 3.22Å; A233-K237 WeakPolarHBondContact O-CD 3.25Å; A233-K237 VanDerWaalsContact O-CE 3.23Å; A233-K237 WeakPolarHBondContact O-CE 3.18Å; A233-G320 WeakPolarHBondContact CB-O 3.41Å
234	V	96.4	Very high	95.3	Very high	3 Å²	3	3 Å²	3	2%	0.018	2%	0.018	C	C	.	.	I	π-helix	trans	-124	-47.2	-168.3	-175.9	0	0	0	0	113.3	T69 L72 L106 F110 V230 L236 K237 L238	T69-V234 HydrophobicContact CG2-CB 4.19Å; T69-V234 HydrophobicContact CG2-CG1 3.38Å; T69-V234 HydrophobicContact CG2-CG2 3.69Å; L72-V234 HydrophobicContact CD2-CG2 4.05Å; L106-V234 HydrophobicContact CD1-CB 4.4Å; L106-V234 HydrophobicContact CD1-CG1 3.95Å; L106-V234 HydrophobicContact CD2-CG1 3.69Å; L106-V234 HydrophobicContact CG-CG1 4.31Å; F110-V234 HydrophobicContact CE2-CG1 3.6Å; F110-V234 HydrophobicContact CZ-CG1 3.77Å; V230-V234 PolarHBondContact O-N 3.24Å; V234-L236 VanDerWaalsContact C-N 3.29Å; V234-L236 PolarHBondContact O-N 2.87Å; V234-K237 WeakPolarHBondContact O-CA 3.38Å; V234-K237 WeakPolarHBondContact O-CB 3.32Å; V234-K237 PolarHBondContact O-N 3.15Å; V234-L238 PolarHBondContact O-N 3.29Å
235	L	95.6	Very high	95.2	Very high	3 Å²	3	3.6 Å²	3.6	2%	0.016	2%	0.019	C	C	.	.	I	π-helix	trans	-65.9	-33.1	-168.1	-68	163.7	0	0	0	112.8	L102 L106 T129 V230 L231 K237 L238	L102-L235 HydrophobicContact CD1-CD2 4.49Å; L106-L235 HydrophobicContact CD2-CD2 3.98Å; T129-L235 HydrophobicContact CG2-CD1 3.33Å; T129-L235 HydrophobicContact CG2-CD2 4.33Å; T129-L235 HydrophobicContact CG2-CG 4.49Å; V230-L235 HydrophobicContact CG1-CD1 4.11Å; V230-L235 HydrophobicContact CG1-CG 4.26Å; V230-L235 PolarHBondContact O-N 3.28Å; V230-L235 VanDerWaalsContact O-N 3.1Å; L231-L235 HydrophobicContact CB-CD1 4.43Å; L231-L235 HydrophobicContact CD2-CB 4.36Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.92Å; L231-L235 PolarHBondContact O-N 3.24Å; L235-K237 VanDerWaalsContact C-N 3.25Å; L235-K237 PolarHBondContact O-N 2.93Å; L235-L238 HydrophobicContact CD2-CD1 3.8Å; L235-L238 WeakPolarHBondContact O-CB 3.1Å; L235-L238 PolarHBondContact O-N 2.96Å
236	L	93.9	Very high	95	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.8	-33.8	171.2	-57.2	177	0	0	0	111.7	K206 M207 P208 W215 L216 L231 V234 L238 G239 M294	K206-L236 WeakPolarHBondContact O-CD2 3.36Å; M207-L236 WeakPolarHBondContact CG-O 3.47Å; P208-L236 HydrophobicContact CG-CD2 4.46Å; W215-L236 HydrophobicContact CH2-CD2 3.79Å; W215-L236 HydrophobicContact CZ2-CD2 4.22Å; L216-L236 HydrophobicContact CD1-CD1 3.99Å; L216-L236 HydrophobicContact CD1-CD2 3.54Å; L216-L236 HydrophobicContact CD1-CG 4.42Å; L231-L236 WeakPolarHBondContact O-CG 3.05Å; L231-L236 PolarHBondContact O-N 3.37Å; V234-L236 VanDerWaalsContact C-N 3.29Å; V234-L236 PolarHBondContact O-N 2.87Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 3.16Å; L236-G239 PolarHBondContact O-N 2.9Å; L236-G239 VanDerWaalsContact O-N 3.17Å; L236-M294 HydrophobicContact CB-CG 4.32Å; L236-M294 HydrophobicContact CB-SD 4.27Å; L236-M294 HydrophobicContact CD1-CG 4.14Å
237	K	97.4	Very high	94.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-75.7	-20.7	-176	-72.9	58.2	169.1	175.1	0	112.2	L65 A232 A233 V234 L235 G239 G240 Y241 M294 M316 H319	L65-K237 HydrophobicContact CD2-CB 3.95Å; L65-K237 HydrophobicContact CD2-CG 4.21Å; A232-K237 PolarHBondContact O-NZ 2.89Å; A233-K237 VanDerWaalsContact O-CD 3.22Å; A233-K237 WeakPolarHBondContact O-CD 3.25Å; A233-K237 VanDerWaalsContact O-CE 3.23Å; A233-K237 WeakPolarHBondContact O-CE 3.18Å; V234-K237 WeakPolarHBondContact O-CA 3.38Å; V234-K237 WeakPolarHBondContact O-CB 3.32Å; V234-K237 PolarHBondContact O-N 3.15Å; L235-K237 VanDerWaalsContact C-N 3.25Å; L235-K237 PolarHBondContact O-N 2.93Å; K237-G239 PolarHBondContact O-N 3.23Å; K237-G240 PolarHBondContact O-N 3.43Å; K237-Y241 WeakPolarHBondContact O-CB 3.07Å; K237-Y241 PolarHBondContact O-N 2.89Å; K237-M294 HydrophobicContact CD-SD 4.24Å; K237-M316 HydrophobicContact CB-SD 4.15Å; K237-M316 WeakPolarHBondContact CE-O 3.49Å; K237-M316 HydrophobicContact CG-CB 3.75Å; K237-M316 HydrophobicContact CG-CG 3.88Å; K237-M316 HydrophobicContact CG-SD 4.02Å; K237-H319 PolarHBondContact NZ-CD2 2.95Å; K237-H319 VanDerWaalsContact NZ-CD2 3.35Å
238	L	95.4	Very high	94.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58	-34.7	168.7	-69.4	173.7	0	0	0	111.7	L106 T109 F110 F122 T125 V234 L235 L236 G242	L106-L238 HydrophobicContact CD2-CD1 3.8Å; L106-L238 HydrophobicContact CD2-CD2 4.2Å; L106-L238 HydrophobicContact CD2-CG 4.23Å; T109-L238 HydrophobicContact CG2-CD2 4.31Å; T109-L238 VanDerWaalsContact OG1-CD2 3.3Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.42Å; F110-L238 HydrophobicContact CD1-CD2 4.35Å; F110-L238 HydrophobicContact CE1-CD2 3.64Å; F110-L238 HydrophobicContact CE2-CD2 4Å; F110-L238 HydrophobicContact CZ-CD2 3.44Å; F110-L238 VanDerWaalsContact CZ-CD2 3.44Å; F110-L238 HydrophobicContact CZ-CG 4.1Å; F122-L238 HydrophobicContact CD2-CB 4.09Å; F122-L238 HydrophobicContact CD2-CD1 4.3Å; F122-L238 HydrophobicContact CE2-CB 4.14Å; T125-L238 HydrophobicContact CG2-CD1 4.17Å; V234-L238 PolarHBondContact O-N 3.29Å; L235-L238 HydrophobicContact CD2-CD1 3.8Å; L235-L238 WeakPolarHBondContact O-CB 3.1Å; L235-L238 PolarHBondContact O-N 2.96Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 3.16Å; L238-G242 PolarHBondContact O-N 2.71Å
239	G	95.1	Very high	94	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.4	-53.3	173.8	0	0	0	0	0	111.7	F203 L236 K237 Y241 G242 M243	F203-G239 WeakPolarHBondContact CB-O 3.21Å; L236-G239 PolarHBondContact O-N 2.9Å; L236-G239 VanDerWaalsContact O-N 3.17Å; K237-G239 PolarHBondContact O-N 3.23Å; G239-Y241 PolarHBondContact O-N 3.1Å; G239-G242 PolarHBondContact O-N 3.34Å; G239-M243 WeakPolarHBondContact O-CG 3.41Å; G239-M243 PolarHBondContact O-N 2.87Å
240	G	95.8	Very high	93.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.4	-44.1	178.8	0	0	0	0	0	113	M207 K237 G242 M243 M244	M207-G240 VanDerWaalsContact CG-N 3.32Å; M207-G240 VanDerWaalsContact SD-CA 3.57Å; M207-G240 PolarHBondContact SD-N 2.86Å; M207-G240 VanDerWaalsContact SD-N 3.42Å; K237-G240 PolarHBondContact O-N 3.43Å; G240-G242 PolarHBondContact O-N 3.37Å; G240-M243 PolarHBondContact O-N 3.47Å; G240-M244 WeakPolarHBondContact O-CG 3.42Å; G240-M244 PolarHBondContact O-N 3.41Å
241	Y	96.1	Very high	93.4	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-56.9	-49.8	174.5	177.4	-104.1	0	0	0	111.9	L61 T62 L65 F110 F118 K237 G239 M244 R245	L61-Y241 HydrophobicContact CD2-CD2 3.6Å; L61-Y241 HydrophobicContact CD2-CE2 3.69Å; L61-Y241 HydrophobicContact CG-CD2 3.87Å; L61-Y241 HydrophobicContact CG-CE2 4.06Å; T62-Y241 HydrophobicContact CG2-CE2 3.67Å; L65-Y241 HydrophobicContact CD1-CD2 3.93Å; L65-Y241 HydrophobicContact CD1-CG 4.33Å; F110-Y241 AromaticContact CD1-CD1 3.88Å; F110-Y241 HydrophobicContact CD1-CD1 3.88Å; F110-Y241 HydrophobicContact CD1-CD2 4.02Å; F110-Y241 HydrophobicContact CD1-CE1 4.25Å; F110-Y241 HydrophobicContact CD1-CE2 4.41Å; F110-Y241 AromaticContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CE1-CD1 4.23Å; F110-Y241 HydrophobicContact CE1-CD2 4.48Å; F110-Y241 AromaticContact CE1-CG 3.94Å; F110-Y241 HydrophobicContact CE1-CG 3.94Å; F110-Y241 PolarHBondContact O-OH 3.3Å; F118-Y241 HydrophobicContact CD2-CD1 4.3Å; F118-Y241 AromaticContact CD2-CE1 3.92Å; F118-Y241 HydrophobicContact CD2-CE1 3.92Å; F118-Y241 AromaticContact CE2-CD1 3.57Å; F118-Y241 HydrophobicContact CE2-CD1 3.57Å; F118-Y241 AromaticContact CE2-CE1 3.66Å; F118-Y241 HydrophobicContact CE2-CE1 3.66Å; F118-Y241 HydrophobicContact CZ-CD1 4.08Å; F118-Y241 HydrophobicContact CZ-CE1 4.41Å; K237-Y241 WeakPolarHBondContact O-CB 3.07Å; K237-Y241 PolarHBondContact O-N 2.89Å; G239-Y241 PolarHBondContact O-N 3.1Å; Y241-M244 PolarHBondContact O-N 3.16Å; Y241-R245 HydrophobicContact CE1-CG 4.15Å; Y241-R245 HydrophobicContact CE2-CG 4.14Å; Y241-R245 WeakPolarHBondContact O-CG 3.09Å; Y241-R245 PolarHBondContact O-N 3.39Å; Y241-R245 VanDerWaalsContact O-N 3.08Å; Y241-R245 PolarHBondContact OH-NE 3.1Å; Y241-R245 PolarHBondContact OH-NH2 2.95Å
242	G	96	Very high	93.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.3	-43.1	179.3	0	0	0	0	0	113.1	L238 G239 G240 M244 R245 L246	L238-G242 PolarHBondContact O-N 2.71Å; G239-G242 PolarHBondContact O-N 3.34Å; G240-G242 PolarHBondContact O-N 3.37Å; G242-M244 PolarHBondContact O-N 3.18Å; G242-R245 PolarHBondContact O-N 3.21Å; G242-L246 WeakPolarHBondContact O-CG 3.35Å; G242-L246 PolarHBondContact O-N 3.49Å
243	M	95	Very high	93.3	Very high	9 Å²	9	12.6 Å²	12.6	4%	0.044	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-46.5	175	-72.6	-175.8	67.5	0	0	111.8	F203 M204 M207 G239 G240 R245 L246 T247 I301 L302	F203-M243 HydrophobicContact CB-CG 3.44Å; F203-M243 VanDerWaalsContact CB-CG 3.44Å; F203-M243 HydrophobicContact CB-SD 4.26Å; F203-M243 HydrophobicContact CD2-CG 4.29Å; F203-M243 HydrophobicContact CG-CG 4.05Å; M204-M243 HydrophobicContact CE-CE 3.34Å; M204-M243 HydrophobicContact CE-SD 3.99Å; M204-M243 HydrophobicContact SD-CE 4.15Å; M204-M243 HydrophobicContact SD-SD 4Å; M207-M243 HydrophobicContact CE-SD 3.59Å; M207-M243 VanDerWaalsContact CE-SD 3.59Å; G239-M243 WeakPolarHBondContact O-CG 3.41Å; G239-M243 PolarHBondContact O-N 2.87Å; G240-M243 PolarHBondContact O-N 3.47Å; M243-R245 VanDerWaalsContact C-N 3.32Å; M243-R245 PolarHBondContact O-N 3.43Å; M243-L246 PolarHBondContact O-N 3.3Å; M243-T247 WeakPolarHBondContact O-CG2 3.42Å; M243-T247 PolarHBondContact O-N 3.05Å; M243-I301 HydrophobicContact CB-CD1 4.47Å; M243-I301 HydrophobicContact CB-CG2 3.7Å; M243-I301 HydrophobicContact CE-CB 4.49Å; M243-I301 HydrophobicContact CE-CG2 3.9Å; M243-L302 HydrophobicContact CE-CD2 3.87Å; M243-L302 HydrophobicContact CE-CG 4.18Å
244	M	94.1	Very high	93.3	Very high	15 Å²	15	12.8 Å²	12.8	7%	0.074	7%	0.069	C	C	.	.	H	α-helix	trans	-58.5	-43	178.5	-74.2	180	178.8	0	0	111.6	L61 G240 Y241 G242 L246 T247 I301 F309 A312 V313 M316	L61-M244 HydrophobicContact CD1-SD 3.4Å; L61-M244 WeakPolarHBondContact CD1-SD 3.49Å; L61-M244 HydrophobicContact CD2-CB 4.05Å; L61-M244 HydrophobicContact CD2-SD 4.19Å; L61-M244 HydrophobicContact CG-SD 4.45Å; G240-M244 WeakPolarHBondContact O-CG 3.42Å; G240-M244 PolarHBondContact O-N 3.41Å; Y241-M244 PolarHBondContact O-N 3.16Å; G242-M244 PolarHBondContact O-N 3.18Å; M244-L246 PolarHBondContact O-N 3.37Å; M244-T247 PolarHBondContact O-N 2.61Å; M244-T247 PolarHBondContact O-OG1 3Å; M244-I301 HydrophobicContact CE-CD1 3.85Å; M244-I301 HydrophobicContact CE-CG1 3.62Å; M244-I301 HydrophobicContact CG-CD1 4.04Å; M244-I301 HydrophobicContact CG-CG1 4.03Å; M244-I301 HydrophobicContact CG-CG2 4.31Å; M244-F309 HydrophobicContact CE-CD1 4.12Å; M244-F309 HydrophobicContact CG-CD1 4.19Å; M244-F309 HydrophobicContact CG-CE1 4.28Å; M244-A312 HydrophobicContact CE-CB 3.38Å; M244-V313 HydrophobicContact CE-CG2 3.82Å; M244-V313 HydrophobicContact SD-CG2 3.95Å; M244-M316 HydrophobicContact CE-CE 3.76Å; M244-M316 HydrophobicContact SD-CE 4.14Å
245	R	92.3	Very high	93	Very high	18 Å²	18	19.8 Å²	19.8	7%	0.068	10%	0.099	C	C	.	.	H	α-helix	trans	-64.4	-38.3	176.9	-68.7	-57.9	-168	-179.2	3.3	113.4	D59 L115 I176 Y241 G242 M243	D59-R245 IonicContact OD2-CZ 3.29Å; D59-R245 IonicContact OD2-NH1 3.1Å; D59-R245 PolarHBondContact OD2-NH1 2.98Å; D59-R245 IonicContact OD2-NH2 3.18Å; D59-R245 PolarHBondContact OD2-NH2 2.7Å; L115-R245 HydrophobicContact CD2-CB 4.48Å; I176-R245 HydrophobicContact CD1-CG 4.41Å; Y241-R245 HydrophobicContact CE1-CG 4.15Å; Y241-R245 HydrophobicContact CE2-CG 4.14Å; Y241-R245 WeakPolarHBondContact O-CG 3.09Å; Y241-R245 PolarHBondContact O-N 3.39Å; Y241-R245 VanDerWaalsContact O-N 3.08Å; Y241-R245 PolarHBondContact OH-NE 3.1Å; Y241-R245 PolarHBondContact OH-NH2 2.95Å; G242-R245 PolarHBondContact O-N 3.21Å; M243-R245 VanDerWaalsContact C-N 3.32Å; M243-R245 PolarHBondContact O-N 3.43Å
246	L	91.4	Very high	92.8	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-81.2	-14.7	-178.5	-68.5	178.6	0	0	0	114	L115 L160 L164 Y199 F203 G242 M243 M244 L248 I249 L250	L115-L246 HydrophobicContact CD1-CD2 3.81Å; L115-L246 HydrophobicContact CD2-CD2 4.23Å; L160-L246 HydrophobicContact CD1-CD1 4Å; L164-L246 HydrophobicContact CD2-CD2 4.49Å; Y199-L246 HydrophobicContact CD1-CD1 4.01Å; Y199-L246 HydrophobicContact CD1-CD2 4.22Å; Y199-L246 HydrophobicContact CG-CD1 4.43Å; F203-L246 HydrophobicContact CD2-CD1 4.02Å; F203-L246 HydrophobicContact CE2-CD1 3.18Å; F203-L246 HydrophobicContact CE2-CG 4.35Å; F203-L246 HydrophobicContact CZ-CD1 3.86Å; G242-L246 WeakPolarHBondContact O-CG 3.35Å; G242-L246 PolarHBondContact O-N 3.49Å; M243-L246 PolarHBondContact O-N 3.3Å; M244-L246 PolarHBondContact O-N 3.37Å; L246-L248 PolarHBondContact O-N 2.85Å; L246-L248 VanDerWaalsContact O-N 3.07Å; L246-I249 HydrophobicContact CD2-CD1 4.02Å; L246-I249 PolarHBondContact O-N 3.14Å; L246-L250 HydrophobicContact CB-CD1 4.09Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.36Å; L246-L250 PolarHBondContact O-N 2.96Å
247	T	87.6	Confident	92.8	Very high	15 Å²	15	27.4 Å²	27.4	9%	0.092	14%	0.135	C	C	.	.	H	α-helix	trans	-54	-31	176.6	60.5	0	0	0	0	113.1	M243 M244 I249 L250 N251 I301 Q304 F309	M243-T247 WeakPolarHBondContact O-CG2 3.42Å; M243-T247 PolarHBondContact O-N 3.05Å; M244-T247 PolarHBondContact O-N 2.61Å; M244-T247 PolarHBondContact O-OG1 3Å; T247-I249 VanDerWaalsContact C-N 3.3Å; T247-I249 PolarHBondContact O-N 3.42Å; T247-L250 PolarHBondContact O-N 3.41Å; T247-N251 VanDerWaalsContact O-CG 3.26Å; T247-N251 PolarHBondContact O-ND2 3.4Å; T247-N251 PolarHBondContact O-OD1 3.39Å; T247-I301 HydrophobicContact CG2-CG2 4.4Å; T247-Q304 HydrophobicContact CG2-CG 4.31Å; T247-F309 HydrophobicContact CG2-CE1 4.33Å; T247-F309 HydrophobicContact CG2-CZ 4.01Å
248	L	86.6	Confident	92.7	Very high	70 Å²	70	27.6 Å²	27.6	37%	0.366	14%	0.137	S	C	.	.	H	α-helix	trans	-58.7	-38.4	175.6	-66.1	169.8	0	0	0	113	T180 L246	T180-L248 HydrophobicContact CG2-CD1 3.8Å; T180-L248 HydrophobicContact CG2-CD2 4.48Å; L246-L248 PolarHBondContact O-N 2.85Å; L246-L248 VanDerWaalsContact O-N 3.07Å
249	I	90.1	Very high	92.7	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-84.7	-30.2	-178.5	-57.2	175.1	0	0	0	110.9	L115 T167 L179 L186 Y199 L246 T247 N251	L115-I249 HydrophobicContact CD1-CD1 3.73Å; T167-I249 HydrophobicContact CG2-CG2 4.4Å; L179-I249 HydrophobicContact CD1-CD1 4.04Å; L179-I249 HydrophobicContact CD2-CD1 4.29Å; L179-I249 HydrophobicContact CD2-CG1 4.4Å; L186-I249 VanDerWaalsContact CD1-O 3.27Å; L186-I249 WeakPolarHBondContact CD1-O 3.32Å; L186-I249 WeakPolarHBondContact CG-O 3.41Å; Y199-I249 HydrophobicContact CE2-CG2 4.3Å; L246-I249 HydrophobicContact CD2-CD1 4.02Å; L246-I249 PolarHBondContact O-N 3.14Å; T247-I249 VanDerWaalsContact C-N 3.3Å; T247-I249 PolarHBondContact O-N 3.42Å; I249-N251 PolarHBondContact O-N 3.49Å
250	L	91.3	Very high	92.8	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-83.7	-11	-166.9	-64.3	171.5	0	0	0	114.5	L186 W196 Y199 T200 L246 T247 L253 T254	L186-L250 HydrophobicContact CD1-CD2 4.39Å; W196-L250 HydrophobicContact CB-CD2 4.3Å; W196-L250 HydrophobicContact CG-CD2 4.08Å; Y199-L250 HydrophobicContact CD2-CD2 3.52Å; Y199-L250 HydrophobicContact CE2-CD2 4.48Å; Y199-L250 HydrophobicContact CG-CD2 3.95Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å; L246-L250 HydrophobicContact CB-CD1 4.09Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.36Å; L246-L250 PolarHBondContact O-N 2.96Å; T247-L250 PolarHBondContact O-N 3.41Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-T254 HydrophobicContact CB-CG2 3.45Å; L250-T254 VanDerWaalsContact CB-CG2 3.45Å; L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 2.9Å
251	N	90.1	Very high	92.8	Very high	59 Å²	59	38.2 Å²	38.2	32%	0.316	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	148.4	-176.7	-70.7	-10.3	0	0	0	111.8	L186 T247 I249 T254 Q304	L186-N251 PolarHBondContact N-O 3.19Å; L186-N251 VanDerWaalsContact N-O 3.1Å; T247-N251 VanDerWaalsContact O-CG 3.26Å; T247-N251 PolarHBondContact O-ND2 3.4Å; T247-N251 PolarHBondContact O-OD1 3.39Å; I249-N251 PolarHBondContact O-N 3.49Å; N251-T254 PolarHBondContact OD1-OG1 2.98Å; N251-Q304 PolarHBondContact OD1-NE2 3.48Å; N251-Q304 PolarHBondContact OD1-OE1 2.99Å
252	P	92	Very high	92.8	Very high	49 Å²	49	38.4 Å²	38.4	32%	0.318	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87	0.4	-2.3	34.6	-36.8	0	0	0	115.1	T254 K255	P252-T254 PolarHBondContact O-N 2.99Å; P252-T254 VanDerWaalsContact O-N 3.13Å; P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 2.74Å; P252-K255 VanDerWaalsContact O-N 3.09Å
253	L	93.1	Very high	92.9	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.6	-173.6	-163.4	82.5	0	0	0	113.9	L186 N188 N192 N193 W196 L250 K255 H256 M257	L186-L253 HydrophobicContact CB-CB 4.1Å; N188-L253 HydrophobicContact CB-CD1 4.25Å; N192-L253 HydrophobicContact CB-CD2 4.24Å; N192-L253 WeakPolarHBondContact O-CD2 3.47Å; N193-L253 WeakPolarHBondContact OD1-CD1 3.32Å; N193-L253 WeakPolarHBondContact OD1-CD2 3.41Å; W196-L253 HydrophobicContact CB-CD2 3.66Å; W196-L253 HydrophobicContact CG-CD2 4.04Å; L250-L253 PolarHBondContact O-N 2.97Å; L253-K255 PolarHBondContact O-N 3.13Å; L253-K255 VanDerWaalsContact O-N 3.13Å; L253-H256 PolarHBondContact O-N 3.39Å; L253-M257 HydrophobicContact CD2-CG 3.98Å; L253-M257 HydrophobicContact CG-CG 3.93Å; L253-M257 PolarHBondContact O-N 3.38Å
254	T	93.2	Very high	93	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-46.3	-39	173	47.3	0	0	0	0	113.2	L250 N251 P252 H256 M257 A258 Q304	L250-T254 HydrophobicContact CB-CG2 3.45Å; L250-T254 VanDerWaalsContact CB-CG2 3.45Å; L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 2.9Å; N251-T254 PolarHBondContact OD1-OG1 2.98Å; P252-T254 PolarHBondContact O-N 2.99Å; P252-T254 VanDerWaalsContact O-N 3.13Å; T254-H256 PolarHBondContact O-N 3.41Å; T254-H256 VanDerWaalsContact O-N 3.16Å; T254-M257 PolarHBondContact O-N 3.47Å; T254-A258 WeakPolarHBondContact O-CB 3.34Å; T254-A258 PolarHBondContact O-N 3.24Å; T254-Q304 PolarHBondContact OG1-OE1 2.67Å
255	K	89.9	Confident	93.1	Very high	150 Å²	150	45.1 Å²	45.1	65%	0.652	23%	0.228	S	C	*	.	H	α-helix	trans	-59	-29.5	-179.3	-66.4	-179.4	-179.4	176.5	0	113.1	P252 L253 Y259	P252-K255 WeakPolarHBondContact O-CB 3.49Å; P252-K255 PolarHBondContact O-N 2.74Å; P252-K255 VanDerWaalsContact O-N 3.09Å; L253-K255 PolarHBondContact O-N 3.13Å; L253-K255 VanDerWaalsContact O-N 3.13Å; K255-Y259 WeakPolarHBondContact O-CE2 2.84Å
256	H	91.6	Very high	93.3	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.597	23%	0.228	S	C	*	.	H	α-helix	trans	-98.7	-38.4	178.3	-61	-61.5	0	0	0	112.3	L253 T254 Y259	L253-H256 PolarHBondContact O-N 3.39Å; T254-H256 PolarHBondContact O-N 3.41Å; T254-H256 VanDerWaalsContact O-N 3.16Å; H256-Y259 WeakPolarHBondContact O-CD2 3.29Å
257	M	95.2	Very high	93.6	Very high	35 Å²	35	51.1 Å²	51.1	17%	0.172	25%	0.252	C	S	.	.	H	α-helix	trans	-78.5	-19.5	-175.8	-68.1	-63.5	-70.8	0	0	113.8	N193 W196 L197 L253 T254 Y259 P260	N193-M257 HydrophobicContact CB-CE 3.99Å; N193-M257 HydrophobicContact CB-SD 4.1Å; W196-M257 HydrophobicContact CD2-CB 3.58Å; W196-M257 HydrophobicContact CD2-CG 4.13Å; W196-M257 HydrophobicContact CE3-CB 3.72Å; W196-M257 HydrophobicContact CE3-CE 3.95Å; W196-M257 HydrophobicContact CE3-CG 4.32Å; W196-M257 HydrophobicContact CG-CB 4.18Å; W196-M257 HydrophobicContact CG-CG 4.28Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.86Å; W196-M257 HydrophobicContact CZ3-CB 3.96Å; W196-M257 HydrophobicContact CZ3-CE 4.5Å; L197-M257 HydrophobicContact CD1-CE 4.35Å; L197-M257 HydrophobicContact CD2-CE 4.48Å; L197-M257 HydrophobicContact CG-CE 4.1Å; L253-M257 HydrophobicContact CD2-CG 3.98Å; L253-M257 HydrophobicContact CG-CG 3.93Å; L253-M257 PolarHBondContact O-N 3.38Å; T254-M257 PolarHBondContact O-N 3.47Å; M257-Y259 PolarHBondContact O-N 3.43Å; M257-P260 WeakPolarHBondContact O-CD 3.23Å
258	A	95.3	Very high	94	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-26.4	-177	0	0	0	0	0	114.3	T254 F261 L262 L302	T254-A258 WeakPolarHBondContact O-CB 3.34Å; T254-A258 PolarHBondContact O-N 3.24Å; A258-F261 PolarHBondContact O-N 3.23Å; A258-F261 VanDerWaalsContact O-N 3.12Å; A258-L262 HydrophobicContact CB-CD1 3.95Å; A258-L262 HydrophobicContact CB-CG 4.38Å; A258-L262 WeakPolarHBondContact O-CG 3.49Å; A258-L262 PolarHBondContact O-N 3.47Å; A258-L302 HydrophobicContact CB-CB 4.2Å; A258-L302 HydrophobicContact CB-CD2 4.1Å
259	Y	95.5	Very high	94.5	Very high	124 Å²	124	47.1 Å²	47.1	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-53.9	-48.9	-169.9	-74.7	-79.4	0	0	0	114.8	K255 H256 M257 F261 L262 V263 W388	K255-Y259 WeakPolarHBondContact O-CE2 2.84Å; H256-Y259 WeakPolarHBondContact O-CD2 3.29Å; M257-Y259 PolarHBondContact O-N 3.43Å; Y259-F261 VanDerWaalsContact C-N 3.29Å; Y259-F261 PolarHBondContact O-N 3.28Å; Y259-L262 PolarHBondContact O-N 2.96Å; Y259-V263 WeakPolarHBondContact O-CG2 3.38Å; Y259-V263 PolarHBondContact O-N 3.43Å; Y259-W388 HydrophobicContact CD1-CH2 4.18Å; Y259-W388 AromaticContact CD1-CZ2 3.98Å; Y259-W388 HydrophobicContact CD1-CZ2 3.98Å; Y259-W388 AromaticContact CE1-CH2 3.99Å; Y259-W388 HydrophobicContact CE1-CH2 3.99Å; Y259-W388 AromaticContact CE1-CZ2 3.54Å; Y259-W388 HydrophobicContact CE1-CZ2 3.54Å
260	P	96.4	Very high	94.9	Very high	75 Å²	75	47.8 Å²	47.8	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-39.7	179.8	-22.6	34.6	0	0	0	112.3	M257 V263 L264	M257-P260 WeakPolarHBondContact O-CD 3.23Å; P260-V263 PolarHBondContact O-N 3.32Å; P260-L264 WeakPolarHBondContact O-CB 3.45Å; P260-L264 VanDerWaalsContact O-CG 3.31Å; P260-L264 WeakPolarHBondContact O-CG 3.33Å; P260-L264 PolarHBondContact O-N 2.97Å
261	F	96.7	Very high	95.2	Very high	23 Å²	23	50.1 Å²	50.1	10%	0.101	25%	0.245	C	C	.	.	H	α-helix	trans	-73.4	-34.3	-179.4	-61.2	-80.2	0	0	0	112.2	W196 L197 M201 M204 L209 A258 Y259 L264 S265 L302	W196-F261 AromaticContact CH2-CD2 3.63Å; W196-F261 HydrophobicContact CH2-CD2 3.63Å; W196-F261 AromaticContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CE2 3.76Å; W196-F261 AromaticContact CZ3-CD2 3.81Å; W196-F261 HydrophobicContact CZ3-CD2 3.81Å; W196-F261 AromaticContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CE2 3.4Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CZ 4.18Å; L197-F261 HydrophobicContact CD2-CE2 4Å; L197-F261 HydrophobicContact CD2-CZ 3.72Å; M201-F261 HydrophobicContact SD-CE1 4.06Å; M201-F261 HydrophobicContact SD-CZ 4.19Å; M204-F261 HydrophobicContact CE-CB 4.16Å; M204-F261 HydrophobicContact CE-CD1 4.28Å; M204-F261 HydrophobicContact CE-CG 4.24Å; L209-F261 HydrophobicContact CD1-CD1 4.46Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.97Å; A258-F261 PolarHBondContact O-N 3.23Å; A258-F261 VanDerWaalsContact O-N 3.12Å; Y259-F261 VanDerWaalsContact C-N 3.29Å; Y259-F261 PolarHBondContact O-N 3.28Å; F261-L264 PolarHBondContact O-N 2.74Å; F261-S265 WeakPolarHBondContact O-CB 3.22Å; F261-S265 PolarHBondContact O-N 2.88Å; F261-S265 PolarHBondContact O-OG 2.89Å; F261-L302 HydrophobicContact CB-CD1 3.62Å
262	L	96.3	Very high	95.5	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-46.9	171	-78.5	167.6	0	0	0	111.1	A258 Y259 L264 S265 L266 T299 L302 I303 W388	A258-L262 HydrophobicContact CB-CD1 3.95Å; A258-L262 HydrophobicContact CB-CG 4.38Å; A258-L262 WeakPolarHBondContact O-CG 3.49Å; A258-L262 PolarHBondContact O-N 3.47Å; Y259-L262 PolarHBondContact O-N 2.96Å; L262-L264 PolarHBondContact O-N 2.93Å; L262-S265 WeakPolarHBondContact CA-OG 3.12Å; L262-S265 PolarHBondContact O-N 3.15Å; L262-S265 PolarHBondContact O-OG 3.47Å; L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.38Å; L262-T299 HydrophobicContact CD2-CG2 4.35Å; L262-L302 HydrophobicContact CD2-CB 3.8Å; L262-L302 HydrophobicContact CD2-CD1 4.19Å; L262-L302 HydrophobicContact CG-CB 4.04Å; L262-L302 HydrophobicContact CG-CD1 4.01Å; L262-I303 HydrophobicContact CD2-CD1 4.5Å; L262-I303 HydrophobicContact CD2-CG1 4.11Å; L262-W388 HydrophobicContact CD1-CH2 4.2Å; L262-W388 HydrophobicContact CD1-CZ2 3.74Å
263	V	96.4	Very high	95.8	Very high	97 Å²	97	45 Å²	45	59%	0.588	22%	0.215	S	C	*	.	H	α-helix	trans	-62.9	-45.1	177	175.1	0	0	0	0	111	Y259 P260 S265 L266 W267	Y259-V263 WeakPolarHBondContact O-CG2 3.38Å; Y259-V263 PolarHBondContact O-N 3.43Å; P260-V263 PolarHBondContact O-N 3.32Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.92Å; V263-L266 PolarHBondContact O-N 3.42Å; V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.46Å; V263-W267 PolarHBondContact O-N 3.29Å
264	L	97.3	Very high	96	Very high	68 Å²	68	47 Å²	47	36%	0.356	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-38.8	177.6	-77	167.8	0	0	0	112.6	L209 Y210 P260 F261 L262 G268	L209-L264 HydrophobicContact CD1-CB 4.3Å; L209-L264 HydrophobicContact CD2-CB 4.49Å; L209-L264 HydrophobicContact CD2-CD1 3.96Å; L209-L264 HydrophobicContact CG-CB 4.42Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.45Å; P260-L264 WeakPolarHBondContact O-CB 3.45Å; P260-L264 VanDerWaalsContact O-CG 3.31Å; P260-L264 WeakPolarHBondContact O-CG 3.33Å; P260-L264 PolarHBondContact O-N 2.97Å; F261-L264 PolarHBondContact O-N 2.74Å; L262-L264 PolarHBondContact O-N 2.93Å; L264-G268 WeakPolarHBondContact O-CA 3.25Å; L264-G268 PolarHBondContact O-N 2.97Å
265	S	96.6	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-75.9	-42.9	179.4	49.1	0	0	0	0	112.7	F261 L262 V263 G268 M269 T299	F261-S265 WeakPolarHBondContact O-CB 3.22Å; F261-S265 PolarHBondContact O-N 2.88Å; F261-S265 PolarHBondContact O-OG 2.89Å; L262-S265 WeakPolarHBondContact CA-OG 3.12Å; L262-S265 PolarHBondContact O-N 3.15Å; L262-S265 PolarHBondContact O-OG 3.47Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.92Å; S265-G268 PolarHBondContact O-N 3.45Å; S265-M269 WeakPolarHBondContact O-CG 3.2Å; S265-M269 PolarHBondContact O-N 3.28Å; S265-T299 WeakPolarHBondContact OG-CG2 3.43Å
266	L	96.7	Very high	96.6	Very high	11 Å²	11	42 Å²	42	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-41.6	175.9	-72	167.2	0	0	0	113.1	L262 V263 M269 T299 T392 L395 T396	L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.38Å; V263-L266 PolarHBondContact O-N 3.42Å; L266-M269 HydrophobicContact CD2-CE 3.97Å; L266-M269 HydrophobicContact CD2-SD 4.41Å; L266-M269 WeakPolarHBondContact O-CG 3.18Å; L266-T299 HydrophobicContact CD2-CG2 3.88Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; L266-T392 HydrophobicContact CD1-CG2 3.66Å; L266-T392 HydrophobicContact CD2-CG2 4.33Å; L266-L395 HydrophobicContact CB-CD1 4.08Å; L266-L395 HydrophobicContact CD1-CD1 4.47Å; L266-T396 HydrophobicContact CD2-CG2 4.12Å
267	W	97.8	Very high	96.8	Very high	137 Å²	137	38.5 Å²	38.5	52%	0.519	20%	0.195	S	C	.	.	H	α-helix	trans	-72.4	-41.6	172.8	-175.3	-111.5	0	0	0	111.2	V263 M269 I270 M271	V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.46Å; V263-W267 PolarHBondContact O-N 3.29Å; W267-M269 VanDerWaalsContact C-N 3.35Å; W267-M269 PolarHBondContact O-N 3.08Å; W267-I270 PolarHBondContact O-N 3Å; W267-M271 HydrophobicContact CD2-CG 4.26Å; W267-M271 HydrophobicContact CG-CG 4.28Å; W267-M271 HydrophobicContact CH2-SD 4.45Å; W267-M271 HydrophobicContact CZ2-CG 4.21Å; W267-M271 HydrophobicContact CZ2-SD 3.63Å; W267-M271 VanDerWaalsContact NE1-CG 3.32Å; W267-M271 WeakPolarHBondContact O-CG 3.43Å; W267-M271 PolarHBondContact O-N 3.17Å
268	G	96.9	Very high	96.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-41.5	-179	0	0	0	0	0	113.9	Y210 L264 S265 I270 M271 T272	Y210-G268 VanDerWaalsContact CG-CA 3.43Å; L264-G268 WeakPolarHBondContact O-CA 3.25Å; L264-G268 PolarHBondContact O-N 2.97Å; S265-G268 PolarHBondContact O-N 3.45Å; G268-I270 VanDerWaalsContact C-N 3.3Å; G268-I270 PolarHBondContact O-N 2.94Å; G268-M271 PolarHBondContact O-N 3.26Å; G268-T272 WeakPolarHBondContact O-CG2 3.23Å; G268-T272 PolarHBondContact O-N 3.44Å; G268-T272 PolarHBondContact O-OG1 3.12Å
269	M	96.4	Very high	97	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-37.1	178.2	62.3	179.3	66.7	0	0	112.5	S265 L266 W267 T272 S273 A295 L296 T299 T396 N399	S265-M269 WeakPolarHBondContact O-CG 3.2Å; S265-M269 PolarHBondContact O-N 3.28Å; L266-M269 HydrophobicContact CD2-CE 3.97Å; L266-M269 HydrophobicContact CD2-SD 4.41Å; L266-M269 WeakPolarHBondContact O-CG 3.18Å; W267-M269 VanDerWaalsContact C-N 3.35Å; W267-M269 PolarHBondContact O-N 3.08Å; M269-T272 PolarHBondContact O-OG1 3.05Å; M269-S273 VanDerWaalsContact O-CB 3.24Å; M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 3.49Å; M269-S273 VanDerWaalsContact O-N 3.13Å; M269-S273 PolarHBondContact O-OG 3.11Å; M269-A295 HydrophobicContact CB-CB 3.94Å; M269-A295 HydrophobicContact CE-CB 4.44Å; M269-L296 HydrophobicContact CE-CD2 3.67Å; M269-L296 HydrophobicContact CE-CG 3.87Å; M269-L296 HydrophobicContact SD-CD2 3.87Å; M269-L296 HydrophobicContact SD-CG 4.21Å; M269-T299 HydrophobicContact CE-CG2 3.86Å; M269-T396 HydrophobicContact SD-CG2 4.33Å; M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 2.82Å; M269-N399 HydrophobicContact SD-CB 4.05Å
270	I	97.6	Very high	97	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-72.4	-43.1	176.5	-60.8	169.6	0	0	0	110.3	W267 G268 S273 S274 L395 N399	W267-I270 PolarHBondContact O-N 3Å; G268-I270 VanDerWaalsContact C-N 3.3Å; G268-I270 PolarHBondContact O-N 2.94Å; I270-S273 WeakPolarHBondContact CA-OG 3.46Å; I270-S273 PolarHBondContact O-OG 2.73Å; I270-S274 WeakPolarHBondContact O-CB 3.17Å; I270-S274 PolarHBondContact O-N 3.44Å; I270-S274 PolarHBondContact O-OG 3.31Å; I270-L395 HydrophobicContact CD1-CB 4.06Å; I270-L395 HydrophobicContact CD1-CD2 3.55Å; I270-L395 HydrophobicContact CD1-CG 4.42Å; I270-N399 HydrophobicContact CG1-CB 4.44Å
271	M	97.9	Very high	97	Very high	55 Å²	55	45.2 Å²	45.2	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-43.6	-179.7	-67.1	-54.9	-64.4	0	0	111.9	Y210 W267 G268 S274 I275	Y210-M271 HydrophobicContact CE2-CB 3.79Å; W267-M271 HydrophobicContact CD2-CG 4.26Å; W267-M271 HydrophobicContact CG-CG 4.28Å; W267-M271 HydrophobicContact CH2-SD 4.45Å; W267-M271 HydrophobicContact CZ2-CG 4.21Å; W267-M271 HydrophobicContact CZ2-SD 3.63Å; W267-M271 VanDerWaalsContact NE1-CG 3.32Å; W267-M271 WeakPolarHBondContact O-CG 3.43Å; W267-M271 PolarHBondContact O-N 3.17Å; G268-M271 PolarHBondContact O-N 3.26Å; M271-S274 PolarHBondContact O-N 3.1Å; M271-S274 PolarHBondContact O-OG 3.05Å; M271-I275 VanDerWaalsContact O-CG1 3.23Å; M271-I275 WeakPolarHBondContact O-CG1 3.45Å; M271-I275 PolarHBondContact O-N 3.48Å
272	T	97.4	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.8	-35.3	179.2	56.1	0	0	0	0	112.6	Y210 G268 M269 I275 C276 Y288 I291 S292	Y210-T272 HydrophobicContact CD2-CG2 3.97Å; Y210-T272 HydrophobicContact CE2-CG2 4.21Å; G268-T272 WeakPolarHBondContact O-CG2 3.23Å; G268-T272 PolarHBondContact O-N 3.44Å; G268-T272 PolarHBondContact O-OG1 3.12Å; M269-T272 PolarHBondContact O-OG1 3.05Å; T272-I275 WeakPolarHBondContact O-CB 3.24Å; T272-I275 PolarHBondContact O-N 3.4Å; T272-C276 PolarHBondContact O-N 3.42Å; T272-C276 VanDerWaalsContact O-N 3.1Å; T272-C276 PolarHBondContact O-SG 3.43Å; T272-Y288 HydrophobicContact CG2-CD1 4.34Å; T272-I291 HydrophobicContact CG2-CB 4.21Å; T272-I291 HydrophobicContact CG2-CG2 3.75Å; T272-S292 WeakPolarHBondContact OG1-CA 3.34Å; T272-S292 WeakPolarHBondContact OG1-CB 2.96Å; T272-S292 PolarHBondContact OG1-N 3.21Å
273	S	97.1	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-37.9	173.2	60.2	0	0	0	0	112.2	M269 I270 I275 C276 N399 V402	M269-S273 VanDerWaalsContact O-CB 3.24Å; M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 3.49Å; M269-S273 VanDerWaalsContact O-N 3.13Å; M269-S273 PolarHBondContact O-OG 3.11Å; I270-S273 WeakPolarHBondContact CA-OG 3.46Å; I270-S273 PolarHBondContact O-OG 2.73Å; S273-I275 VanDerWaalsContact C-N 3.35Å; S273-C276 VanDerWaalsContact O-CB 3.28Å; S273-C276 WeakPolarHBondContact O-CB 3.25Å; S273-C276 PolarHBondContact O-N 3.22Å; S273-N399 PolarHBondContact OG-OD1 2.99Å; S273-V402 VanDerWaalsContact C-CG1 3.45Å; S273-V402 WeakPolarHBondContact O-CG1 3.39Å; S273-V402 WeakPolarHBondContact OG-CG1 3.5Å
274	S	97.4	Very high	97	Very high	45 Å²	45	40.7 Å²	40.7	32%	0.315	19%	0.194	S	C	.	.	H	α-helix	trans	-67.1	-35.3	172.9	67.1	0	0	0	0	112.6	I270 M271 C276 L277	I270-S274 WeakPolarHBondContact O-CB 3.17Å; I270-S274 PolarHBondContact O-N 3.44Å; I270-S274 PolarHBondContact O-OG 3.31Å; M271-S274 PolarHBondContact O-N 3.1Å; M271-S274 PolarHBondContact O-OG 3.05Å; S274-C276 VanDerWaalsContact C-N 3.28Å; S274-C276 PolarHBondContact O-N 2.86Å; S274-L277 WeakPolarHBondContact O-CB 3.43Å; S274-L277 PolarHBondContact O-N 3.21Å
275	I	98	Very high	97	Very high	49 Å²	49	37.4 Å²	37.4	25%	0.251	18%	0.177	S	C	.	.	H	α-helix	trans	-58.4	-42.1	171.3	-72.4	164.9	0	0	0	110.2	M271 T272 S273 L277 R278 Q279 Y288	M271-I275 VanDerWaalsContact O-CG1 3.23Å; M271-I275 WeakPolarHBondContact O-CG1 3.45Å; M271-I275 PolarHBondContact O-N 3.48Å; T272-I275 WeakPolarHBondContact O-CB 3.24Å; T272-I275 PolarHBondContact O-N 3.4Å; S273-I275 VanDerWaalsContact C-N 3.35Å; I275-L277 PolarHBondContact O-N 3.1Å; I275-R278 PolarHBondContact O-N 3.06Å; I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.4Å; I275-Q279 PolarHBondContact O-N 3Å; I275-Y288 HydrophobicContact CD1-CE1 4.28Å; I275-Y288 HydrophobicContact CG2-CD1 3.92Å; I275-Y288 HydrophobicContact CG2-CD2 3.89Å; I275-Y288 HydrophobicContact CG2-CE1 4.01Å; I275-Y288 HydrophobicContact CG2-CE2 4.01Å; I275-Y288 HydrophobicContact CG2-CG 3.86Å
276	C	97.6	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.6	-35.1	178.1	-64.9	0	0	0	0	113.6	T272 S273 S274 R278 Q279 L285 Y288 S289 Y406	T272-C276 PolarHBondContact O-N 3.42Å; T272-C276 VanDerWaalsContact O-N 3.1Å; T272-C276 PolarHBondContact O-SG 3.43Å; S273-C276 VanDerWaalsContact O-CB 3.28Å; S273-C276 WeakPolarHBondContact O-CB 3.25Å; S273-C276 PolarHBondContact O-N 3.22Å; S274-C276 VanDerWaalsContact C-N 3.28Å; S274-C276 PolarHBondContact O-N 2.86Å; C276-R278 PolarHBondContact O-N 3.36Å; C276-Q279 PolarHBondContact O-N 3Å; C276-L285 HydrophobicContact CB-CD2 4.45Å; C276-L285 HydrophobicContact CB-CG 4.11Å; C276-L285 VanDerWaalsContact O-CD1 3.3Å; C276-L285 WeakPolarHBondContact O-CD1 3.43Å; C276-Y288 WeakPolarHBondContact SG-CB 3.32Å; C276-S289 PolarHBondContact SG-N 2.9Å; C276-S289 VanDerWaalsContact SG-N 3.42Å; C276-Y406 HydrophobicContact CB-CD1 3.71Å; C276-Y406 HydrophobicContact CB-CD2 4.14Å; C276-Y406 HydrophobicContact CB-CE1 4.38Å; C276-Y406 HydrophobicContact CB-CG 3.59Å
277	L	96.8	Very high	97.1	Very high	57 Å²	57	36.9 Å²	36.9	30%	0.298	17%	0.174	S	C	.	.	H	α-helix	trans	-64.3	-22.1	178.3	-67.3	172.9	0	0	0	113.3	S274 I275 V402 L405	S274-L277 WeakPolarHBondContact O-CB 3.43Å; S274-L277 PolarHBondContact O-N 3.21Å; I275-L277 PolarHBondContact O-N 3.1Å; L277-V402 HydrophobicContact CD1-CG1 4.01Å; L277-V402 HydrophobicContact CG-CG1 4.38Å; L277-L405 HydrophobicContact CD2-CB 3.8Å
278	R	97	Very high	97.1	Very high	216 Å²	216	32.2 Å²	32.2	82%	0.815	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	1	-176.1	-62	-65.9	-65.3	-145	-4	113	I275 C276	I275-R278 PolarHBondContact O-N 3.06Å; C276-R278 PolarHBondContact O-N 3.36Å
279	Q	96.9	Very high	97.1	Very high	38 Å²	38	32.1 Å²	32.1	18%	0.178	16%	0.156	C	C	.	.			trans	-73.9	129.6	-178.6	-73.2	-56.8	-16.3	0	0	112	I275 C276 S284 L285 Y288	I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.4Å; I275-Q279 PolarHBondContact O-N 3Å; C276-Q279 PolarHBondContact O-N 3Å; Q279-S284 PolarHBondContact OE1-OG 3.45Å; Q279-S284 VanDerWaalsContact OE1-OG 3.14Å; Q279-L285 HydrophobicContact CB-CB 3.82Å; Q279-L285 HydrophobicContact CB-CD1 4.27Å; Q279-L285 HydrophobicContact CB-CG 4.22Å; Q279-L285 HydrophobicContact CG-CB 4.36Å; Q279-Y288 HydrophobicContact CG-CD2 4.13Å
280	T	96.1	Very high	97.1	Very high	79 Å²	79	32.1 Å²	32.1	49%	0.485	16%	0.156	S	C	.	.			trans	-85.1	-31.9	172.2	55.6	0	0	0	0	111.9	M342	T280-M342 WeakPolarHBondContact O-CB 3.35Å; T280-M342 PolarHBondContact O-N 3.13Å
281	D	96.2	Very high	97.1	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-91.1	117.3	-175.8	-82.3	-1.9	0	0	0	110.6	K283 S284 L285	D281-K283 PolarHBondContact O-N 2.72Å; D281-S284 VanDerWaalsContact CB-OG 3.3Å; D281-S284 WeakPolarHBondContact CB-OG 3.41Å; D281-S284 WeakPolarHBondContact O-CB 3.26Å; D281-S284 PolarHBondContact O-N 3.37Å; D281-S284 PolarHBondContact O-OG 3.06Å; D281-L285 PolarHBondContact O-N 3.12Å
282	L	95.9	Very high	97.1	Very high	9 Å²	9	28.5 Å²	28.5	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-40.6	-172.6	-173.8	146.6	0	0	0	112.8	S284 L285 I286 A330 R340 M342 W359 T414	L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.35Å; L282-L285 PolarHBondContact O-N 3.27Å; L282-I286 HydrophobicContact CD2-CD1 3.69Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 2.71Å; L282-I286 VanDerWaalsContact O-N 3.16Å; L282-A330 HydrophobicContact CD2-CB 3.1Å; L282-R340 PolarHBondContact N-O 2.89Å; L282-M342 HydrophobicContact CB-CB 4.27Å; L282-M342 HydrophobicContact CD1-CG 4.15Å; L282-W359 HydrophobicContact CD1-CH2 3.78Å; L282-W359 HydrophobicContact CD1-CZ2 4.44Å; L282-W359 HydrophobicContact CD2-CH2 4.03Å; L282-W359 HydrophobicContact CG-CH2 4.42Å; L282-T414 HydrophobicContact CD1-CG2 3.44Å; L282-T414 VanDerWaalsContact CD1-CG2 3.44Å
283	K	96.4	Very high	97.1	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-34.6	174.2	-79.6	-166.5	178.9	-174.7	0	112.4	V221 A223 D281 A287 F327 A330	V221-K283 HydrophobicContact CG2-CB 4.03Å; A223-K283 PolarHBondContact O-NZ 3.14Å; D281-K283 PolarHBondContact O-N 2.72Å; K283-A287 WeakPolarHBondContact O-CB 3.39Å; K283-A287 PolarHBondContact O-N 2.92Å; K283-F327 HydrophobicContact CB-CE1 4.39Å; K283-F327 HydrophobicContact CG-CD1 4.37Å; K283-F327 HydrophobicContact CG-CE1 4.49Å; K283-A330 HydrophobicContact CG-CB 4.13Å
284	S	96.4	Very high	97.1	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-71.1	-39	178.5	82.1	0	0	0	0	111	Q279 D281 L282 I286 A287 Y288	Q279-S284 PolarHBondContact OE1-OG 3.45Å; Q279-S284 VanDerWaalsContact OE1-OG 3.14Å; D281-S284 VanDerWaalsContact CB-OG 3.3Å; D281-S284 WeakPolarHBondContact CB-OG 3.41Å; D281-S284 WeakPolarHBondContact O-CB 3.26Å; D281-S284 PolarHBondContact O-N 3.37Å; D281-S284 PolarHBondContact O-OG 3.06Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.35Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 2.85Å; S284-A287 CarbonylContact O-C 3.24Å; S284-A287 WeakPolarHBondContact O-CA 3.23Å; S284-A287 WeakPolarHBondContact O-CB 3.42Å; S284-A287 PolarHBondContact O-N 2.89Å; S284-A287 VanDerWaalsContact O-N 3.09Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.41Å; S284-Y288 PolarHBondContact O-N 2.9Å
285	L	97.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-46.5	174.1	-169.8	159.4	0	0	0	110.3	C276 Q279 D281 L282 A287 Y288 S289 M342 Y406 Y409 M410	C276-L285 HydrophobicContact CB-CD2 4.45Å; C276-L285 HydrophobicContact CB-CG 4.11Å; C276-L285 VanDerWaalsContact O-CD1 3.3Å; C276-L285 WeakPolarHBondContact O-CD1 3.43Å; Q279-L285 HydrophobicContact CB-CB 3.82Å; Q279-L285 HydrophobicContact CB-CD1 4.27Å; Q279-L285 HydrophobicContact CB-CG 4.22Å; Q279-L285 HydrophobicContact CG-CB 4.36Å; D281-L285 PolarHBondContact O-N 3.12Å; L282-L285 PolarHBondContact O-N 3.27Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 2.95Å; L285-Y288 PolarHBondContact O-N 3.4Å; L285-S289 PolarHBondContact O-N 3.22Å; L285-M342 HydrophobicContact CD1-CE 4.35Å; L285-M342 HydrophobicContact CD1-SD 4.08Å; L285-Y406 HydrophobicContact CD2-CD2 4.25Å; L285-Y409 HydrophobicContact CD1-CD1 4.47Å; L285-M410 HydrophobicContact CD2-CB 4.31Å; L285-M410 HydrophobicContact CD2-CE 3.33Å; L285-M410 HydrophobicContact CD2-CG 4.35Å
286	I	97.9	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-40	176.2	-59	161.2	0	0	0	111	L282 S284 S289 S290 L326 F327 A330 M410	L282-I286 HydrophobicContact CD2-CD1 3.69Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 2.71Å; L282-I286 VanDerWaalsContact O-N 3.16Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 2.85Å; I286-S289 WeakPolarHBondContact CA-OG 3.19Å; I286-S289 PolarHBondContact O-N 3.38Å; I286-S289 PolarHBondContact O-OG 2.96Å; I286-S290 PolarHBondContact O-N 3.12Å; I286-L326 HydrophobicContact CD1-CB 3.91Å; I286-L326 WeakPolarHBondContact CD1-O 3.36Å; I286-L326 HydrophobicContact CG1-CB 4.1Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; I286-F327 HydrophobicContact CB-CD1 4.49Å; I286-F327 HydrophobicContact CB-CE1 4.02Å; I286-F327 HydrophobicContact CB-CE2 4.4Å; I286-F327 HydrophobicContact CB-CZ 3.96Å; I286-F327 HydrophobicContact CD1-CD1 4.42Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.83Å; I286-F327 HydrophobicContact CG2-CE1 3.95Å; I286-F327 HydrophobicContact CG2-CE2 3.49Å; I286-F327 VanDerWaalsContact CG2-CE2 3.49Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.55Å; I286-A330 HydrophobicContact CD1-CB 3.85Å; I286-M410 HydrophobicContact CG1-CE 4.2Å
287	A	96.9	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-38.8	176.4	0	0	0	0	0	113.5	L216 H220 K283 S284 L285 S290 I291 F327	L216-A287 HydrophobicContact CD2-CB 3.67Å; L216-A287 WeakPolarHBondContact CD2-O 3.42Å; H220-A287 HydrophobicContact CB-CB 3.97Å; K283-A287 WeakPolarHBondContact O-CB 3.39Å; K283-A287 PolarHBondContact O-N 2.92Å; S284-A287 CarbonylContact O-C 3.24Å; S284-A287 WeakPolarHBondContact O-CA 3.23Å; S284-A287 WeakPolarHBondContact O-CB 3.42Å; S284-A287 PolarHBondContact O-N 2.89Å; S284-A287 VanDerWaalsContact O-N 3.09Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 2.95Å; A287-S290 PolarHBondContact O-N 3.42Å; A287-S290 PolarHBondContact O-OG 3.34Å; A287-I291 WeakPolarHBondContact O-CG1 3.12Å; A287-I291 PolarHBondContact O-N 3.25Å; A287-F327 HydrophobicContact CB-CZ 4.43Å
288	Y	97.9	Very high	97.1	Very high	38 Å²	38	21.9 Å²	21.9	15%	0.149	10%	0.101	C	C	.	.	H	α-helix	trans	-70.3	-35.1	173.6	-79.4	-73.8	0	0	0	112	P217 T272 I275 C276 Q279 S284 L285 S290 I291 S292	P217-Y288 HydrophobicContact CB-CE2 3.9Å; P217-Y288 HydrophobicContact CG-CD1 4.32Å; P217-Y288 HydrophobicContact CG-CD2 4.34Å; P217-Y288 HydrophobicContact CG-CE1 3.79Å; P217-Y288 HydrophobicContact CG-CE2 3.79Å; P217-Y288 VanDerWaalsContact CG-CZ 3.49Å; T272-Y288 HydrophobicContact CG2-CD1 4.34Å; I275-Y288 HydrophobicContact CD1-CE1 4.28Å; I275-Y288 HydrophobicContact CG2-CD1 3.92Å; I275-Y288 HydrophobicContact CG2-CD2 3.89Å; I275-Y288 HydrophobicContact CG2-CE1 4.01Å; I275-Y288 HydrophobicContact CG2-CE2 4.01Å; I275-Y288 HydrophobicContact CG2-CG 3.86Å; C276-Y288 WeakPolarHBondContact SG-CB 3.32Å; Q279-Y288 HydrophobicContact CG-CD2 4.13Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.41Å; S284-Y288 PolarHBondContact O-N 2.9Å; L285-Y288 PolarHBondContact O-N 3.4Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.3Å; Y288-I291 HydrophobicContact CD1-CD1 3.96Å; Y288-I291 HydrophobicContact CE1-CD1 4.36Å; Y288-I291 PolarHBondContact O-N 3.31Å; Y288-I291 VanDerWaalsContact O-N 3.13Å; Y288-S292 PolarHBondContact O-N 2.99Å
289	S	97.4	Very high	97.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.6	-30.8	173.2	78.4	0	0	0	0	112.8	C276 L285 I286 S292 H293	C276-S289 PolarHBondContact SG-N 2.9Å; C276-S289 VanDerWaalsContact SG-N 3.42Å; L285-S289 PolarHBondContact O-N 3.22Å; I286-S289 WeakPolarHBondContact CA-OG 3.19Å; I286-S289 PolarHBondContact O-N 3.38Å; I286-S289 PolarHBondContact O-OG 2.96Å; S289-S292 WeakPolarHBondContact CA-OG 3.27Å; S289-S292 PolarHBondContact O-N 3.23Å; S289-S292 PolarHBondContact O-OG 2.94Å; S289-H293 PolarHBondContact O-CD2 3.22Å; S289-H293 PolarHBondContact O-N 3.3Å; S289-H293 VanDerWaalsContact O-N 3.12Å
290	S	96.8	Very high	97.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-71.5	-31.7	173.4	64.1	0	0	0	0	112.5	I286 A287 Y288 M294 H319	I286-S290 PolarHBondContact O-N 3.12Å; A287-S290 PolarHBondContact O-N 3.42Å; A287-S290 PolarHBondContact O-OG 3.34Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.3Å; S290-M294 WeakPolarHBondContact O-CB 3.49Å; S290-M294 WeakPolarHBondContact O-CG 3.01Å; S290-M294 PolarHBondContact O-N 3.22Å; S290-H319 VanDerWaalsContact CA-NE2 3.34Å; S290-H319 WeakPolarHBondContact CA-NE2 3.5Å; S290-H319 WeakPolarHBondContact CB-NE2 3.4Å
291	I	97.8	Very high	97.1	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-66.9	-43.1	173	-59	159.1	0	0	0	110.7	P208 H213 L216 P217 T272 A287 Y288 H293 M294 A295	P208-I291 HydrophobicContact CB-CG1 4.25Å; P208-I291 HydrophobicContact CG-CB 4.41Å; P208-I291 HydrophobicContact CG-CG1 3.88Å; P208-I291 HydrophobicContact CG-CG2 4.3Å; H213-I291 HydrophobicContact CB-CD1 3.75Å; H213-I291 HydrophobicContact CB-CG1 4.13Å; H213-I291 HydrophobicContact CB-CG2 3.94Å; L216-I291 HydrophobicContact CB-CD1 4.39Å; L216-I291 HydrophobicContact CD1-CG1 3.91Å; L216-I291 HydrophobicContact CD2-CD1 4.26Å; L216-I291 HydrophobicContact CD2-CG1 4.18Å; L216-I291 HydrophobicContact CG-CG1 4.45Å; P217-I291 HydrophobicContact CG-CD1 4.09Å; T272-I291 HydrophobicContact CG2-CB 4.21Å; T272-I291 HydrophobicContact CG2-CG2 3.75Å; A287-I291 WeakPolarHBondContact O-CG1 3.12Å; A287-I291 PolarHBondContact O-N 3.25Å; Y288-I291 HydrophobicContact CD1-CD1 3.96Å; Y288-I291 HydrophobicContact CE1-CD1 4.36Å; Y288-I291 PolarHBondContact O-N 3.31Å; Y288-I291 VanDerWaalsContact O-N 3.13Å; I291-H293 PolarHBondContact O-N 2.98Å; I291-M294 PolarHBondContact O-N 3.4Å; I291-A295 WeakPolarHBondContact O-CB 3.46Å; I291-A295 PolarHBondContact O-N 3.49Å
292	S	97.3	Very high	97.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.2	-43.4	177.4	59.2	0	0	0	0	112.2	T272 Y288 S289 A295	T272-S292 WeakPolarHBondContact OG1-CA 3.34Å; T272-S292 WeakPolarHBondContact OG1-CB 2.96Å; T272-S292 PolarHBondContact OG1-N 3.21Å; Y288-S292 PolarHBondContact O-N 2.99Å; S289-S292 WeakPolarHBondContact CA-OG 3.27Å; S289-S292 PolarHBondContact O-N 3.23Å; S289-S292 PolarHBondContact O-OG 2.94Å; S292-A295 WeakPolarHBondContact O-CB 3.34Å; S292-A295 PolarHBondContact O-N 2.78Å
293	H	97.4	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-68	-42	178.1	-75.7	-54.4	0	0	0	113	S289 I291 A295 L296 V297 H319 N366 E378	S289-H293 PolarHBondContact O-CD2 3.22Å; S289-H293 PolarHBondContact O-N 3.3Å; S289-H293 VanDerWaalsContact O-N 3.12Å; I291-H293 PolarHBondContact O-N 2.98Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 3.18Å; H293-L296 WeakPolarHBondContact O-CB 3.23Å; H293-L296 PolarHBondContact O-N 3.33Å; H293-V297 PolarHBondContact O-N 3.31Å; H293-H319 AromaticContact CD2-CE1 3.56Å; H293-H319 AromaticContact CD2-ND1 3.37Å; H293-H319 PolarHBondContact CD2-ND1 2.95Å; H293-H319 AromaticContact CG-CE1 3.98Å; H293-H319 AromaticContact CG-ND1 3.62Å; H293-N366 PolarHBondContact NE2-O 2.95Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; H293-E378 IonicContact CE1-OE1 2.69Å; H293-E378 PolarHBondContact CE1-OE1 3.37Å; H293-E378 IonicContact ND1-OE1 2.69Å; H293-E378 PolarHBondContact ND1-OE1 2.8Å
294	M	97.3	Very high	96.9	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-71.3	-23.2	176.6	-62.1	-61	84.9	0	0	112.6	L236 K237 S290 I291 L296 V297 V298 H319	L236-M294 HydrophobicContact CB-CG 4.32Å; L236-M294 HydrophobicContact CB-SD 4.27Å; L236-M294 HydrophobicContact CD1-CG 4.14Å; K237-M294 HydrophobicContact CD-SD 4.24Å; S290-M294 WeakPolarHBondContact O-CB 3.49Å; S290-M294 WeakPolarHBondContact O-CG 3.01Å; S290-M294 PolarHBondContact O-N 3.22Å; I291-M294 PolarHBondContact O-N 3.4Å; M294-L296 VanDerWaalsContact C-N 3.33Å; M294-L296 PolarHBondContact O-N 2.98Å; M294-V297 HydrophobicContact CE-CG2 3.79Å; M294-V297 WeakPolarHBondContact O-CB 3.12Å; M294-V297 PolarHBondContact O-N 3.05Å; M294-V297 HydrophobicContact SD-CG2 4.45Å; M294-V298 WeakPolarHBondContact O-CG2 3.49Å; M294-V298 PolarHBondContact O-N 2.97Å; M294-H319 HydrophobicContact CE-CB 3.84Å; M294-H319 WeakPolarHBondContact CE-CD2 2.88Å
295	A	97.6	Very high	96.7	Very high	6 Å²	6	8.2 Å²	8.2	5%	0.05	4%	0.042	C	C	.	.	H	α-helix	trans	-64	-37.1	171.8	0	0	0	0	0	112.2	M269 I291 S292 H293 V297 V298 T299	M269-A295 HydrophobicContact CB-CB 3.94Å; M269-A295 HydrophobicContact CE-CB 4.44Å; I291-A295 WeakPolarHBondContact O-CB 3.46Å; I291-A295 PolarHBondContact O-N 3.49Å; S292-A295 WeakPolarHBondContact O-CB 3.34Å; S292-A295 PolarHBondContact O-N 2.78Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 3.18Å; A295-V297 VanDerWaalsContact C-N 3.34Å; A295-V298 PolarHBondContact O-N 2.96Å; A295-T299 WeakPolarHBondContact O-CG2 3.48Å; A295-T299 PolarHBondContact O-N 3.42Å
296	L	97.1	Very high	96.5	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-60.6	-43.4	170.3	-75.1	161.4	0	0	0	111.1	M269 H293 M294 V298 T299 A300 L315 E378 V381 T396	M269-L296 HydrophobicContact CE-CD2 3.67Å; M269-L296 HydrophobicContact CE-CG 3.87Å; M269-L296 HydrophobicContact SD-CD2 3.87Å; M269-L296 HydrophobicContact SD-CG 4.21Å; H293-L296 WeakPolarHBondContact O-CB 3.23Å; H293-L296 PolarHBondContact O-N 3.33Å; M294-L296 VanDerWaalsContact C-N 3.33Å; M294-L296 PolarHBondContact O-N 2.98Å; L296-V298 PolarHBondContact O-N 3.03Å; L296-T299 WeakPolarHBondContact CA-OG1 3.19Å; L296-T299 PolarHBondContact O-N 3.48Å; L296-T299 PolarHBondContact O-OG1 3.41Å; L296-A300 WeakPolarHBondContact O-CB 3.42Å; L296-A300 PolarHBondContact O-N 3.41Å; L296-L315 HydrophobicContact CB-CD2 3.76Å; L296-L315 HydrophobicContact CD1-CD2 4.4Å; L296-E378 HydrophobicContact CD1-CG 4.34Å; L296-V381 HydrophobicContact CB-CG1 4.33Å; L296-V381 HydrophobicContact CD2-CG1 3.99Å; L296-T396 HydrophobicContact CD2-CG2 4.39Å
297	V	97.8	Very high	96.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-43.1	175.7	178.9	0	0	0	0	111.4	M207 H293 M294 A295 T299 A300 I301 A312 L315 M316	M207-V297 HydrophobicContact CE-CG1 4.08Å; M207-V297 HydrophobicContact SD-CB 4.3Å; M207-V297 HydrophobicContact SD-CG1 3.76Å; H293-V297 PolarHBondContact O-N 3.31Å; M294-V297 HydrophobicContact CE-CG2 3.79Å; M294-V297 WeakPolarHBondContact O-CB 3.12Å; M294-V297 PolarHBondContact O-N 3.05Å; M294-V297 HydrophobicContact SD-CG2 4.45Å; A295-V297 VanDerWaalsContact C-N 3.34Å; V297-T299 PolarHBondContact O-N 2.91Å; V297-A300 PolarHBondContact O-N 3.43Å; V297-I301 HydrophobicContact CG1-CD1 3.72Å; V297-I301 HydrophobicContact CG1-CG1 4.38Å; V297-I301 VanDerWaalsContact O-CG1 3.29Å; V297-I301 WeakPolarHBondContact O-CG1 3Å; V297-I301 PolarHBondContact O-N 2.86Å; V297-A312 HydrophobicContact CG1-CB 4.13Å; V297-L315 HydrophobicContact CG2-CB 4.21Å; V297-L315 HydrophobicContact CG2-CD2 3.61Å; V297-L315 HydrophobicContact CG2-CG 4.01Å; V297-M316 HydrophobicContact CG1-CG 3.78Å; V297-M316 HydrophobicContact CG1-SD 4.03Å; V297-M316 HydrophobicContact CG2-CG 4.03Å
298	V	97.2	Very high	96.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-47.5	174.5	174	0	0	0	0	110.7	M204 M207 L209 M294 A295 L296 A300 I301 L302	M204-V298 HydrophobicContact CE-CG1 4.13Å; M204-V298 HydrophobicContact SD-CG1 3.91Å; M207-V298 HydrophobicContact CB-CG2 3.99Å; M207-V298 HydrophobicContact CE-CB 4.29Å; M207-V298 HydrophobicContact CE-CG2 3.47Å; M207-V298 VanDerWaalsContact CE-CG2 3.47Å; M207-V298 HydrophobicContact SD-CG2 4.25Å; L209-V298 HydrophobicContact CD1-CG1 4.14Å; M294-V298 WeakPolarHBondContact O-CG2 3.49Å; M294-V298 PolarHBondContact O-N 2.97Å; A295-V298 PolarHBondContact O-N 2.96Å; L296-V298 PolarHBondContact O-N 3.03Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.09Å; V298-I301 PolarHBondContact O-N 3.16Å; V298-L302 HydrophobicContact CG1-CD1 3.86Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CB 3.49Å; V298-L302 WeakPolarHBondContact O-CG 3.47Å; V298-L302 PolarHBondContact O-N 2.89Å
299	T	96.8	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-44.6	178.6	58.9	0	0	0	0	112	L262 S265 L266 M269 A295 L296 V297 I301 L302 I303	L262-T299 HydrophobicContact CD2-CG2 4.35Å; S265-T299 WeakPolarHBondContact OG-CG2 3.43Å; L266-T299 HydrophobicContact CD2-CG2 3.88Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; M269-T299 HydrophobicContact CE-CG2 3.86Å; A295-T299 WeakPolarHBondContact O-CG2 3.48Å; A295-T299 PolarHBondContact O-N 3.42Å; L296-T299 WeakPolarHBondContact CA-OG1 3.19Å; L296-T299 PolarHBondContact O-N 3.48Å; L296-T299 PolarHBondContact O-OG1 3.41Å; V297-T299 PolarHBondContact O-N 2.91Å; T299-I301 PolarHBondContact O-N 3.08Å; T299-L302 PolarHBondContact O-N 3.36Å; T299-I303 WeakPolarHBondContact O-CG1 3.37Å; T299-I303 PolarHBondContact O-N 3.45Å; T299-I303 VanDerWaalsContact O-N 3.1Å
300	A	96.6	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-40.1	-177.3	0	0	0	0	0	112.5	L296 V297 V298 Q304 S308 A312 V381	L296-A300 WeakPolarHBondContact O-CB 3.42Å; L296-A300 PolarHBondContact O-N 3.41Å; V297-A300 PolarHBondContact O-N 3.43Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.09Å; A300-Q304 PolarHBondContact O-N 3.01Å; A300-S308 WeakPolarHBondContact CB-O 3.06Å; A300-S308 WeakPolarHBondContact O-CB 3.13Å; A300-S308 PolarHBondContact O-OG 3.03Å; A300-A312 HydrophobicContact CB-CB 3.96Å; A300-V381 HydrophobicContact CB-CB 4.41Å; A300-V381 HydrophobicContact CB-CG1 3.99Å; A300-V381 HydrophobicContact CB-CG2 3.64Å
301	I	96.3	Very high	95.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-69.8	-36.3	177.3	-65.8	170.3	0	0	0	111.3	M207 M243 M244 T247 V297 V298 T299 Q304 F309 A312	M207-I301 HydrophobicContact CE-CD1 3.69Å; M243-I301 HydrophobicContact CB-CD1 4.47Å; M243-I301 HydrophobicContact CB-CG2 3.7Å; M243-I301 HydrophobicContact CE-CB 4.49Å; M243-I301 HydrophobicContact CE-CG2 3.9Å; M244-I301 HydrophobicContact CE-CD1 3.85Å; M244-I301 HydrophobicContact CE-CG1 3.62Å; M244-I301 HydrophobicContact CG-CD1 4.04Å; M244-I301 HydrophobicContact CG-CG1 4.03Å; M244-I301 HydrophobicContact CG-CG2 4.31Å; T247-I301 HydrophobicContact CG2-CG2 4.4Å; V297-I301 HydrophobicContact CG1-CD1 3.72Å; V297-I301 HydrophobicContact CG1-CG1 4.38Å; V297-I301 VanDerWaalsContact O-CG1 3.29Å; V297-I301 WeakPolarHBondContact O-CG1 3Å; V297-I301 PolarHBondContact O-N 2.86Å; V298-I301 PolarHBondContact O-N 3.16Å; T299-I301 PolarHBondContact O-N 3.08Å; I301-Q304 WeakPolarHBondContact O-CG 3.36Å; I301-Q304 PolarHBondContact O-N 3.3Å; I301-F309 HydrophobicContact CB-CE1 4.46Å; I301-F309 HydrophobicContact CG2-CE1 4.17Å; I301-A312 HydrophobicContact CG1-CB 4.08Å
302	L	95.9	Very high	95.7	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-71.7	-28.9	178.8	-73.8	176.2	0	0	0	113.5	W196 M204 M243 A258 F261 L262 V298 T299	W196-L302 HydrophobicContact CZ2-CD2 4.38Å; M204-L302 HydrophobicContact CE-CD1 4.01Å; M204-L302 HydrophobicContact CE-CD2 3.91Å; M204-L302 HydrophobicContact CE-CG 4.23Å; M243-L302 HydrophobicContact CE-CD2 3.87Å; M243-L302 HydrophobicContact CE-CG 4.18Å; A258-L302 HydrophobicContact CB-CB 4.2Å; A258-L302 HydrophobicContact CB-CD2 4.1Å; F261-L302 HydrophobicContact CB-CD1 3.62Å; L262-L302 HydrophobicContact CD2-CB 3.8Å; L262-L302 HydrophobicContact CD2-CD1 4.19Å; L262-L302 HydrophobicContact CG-CB 4.04Å; L262-L302 HydrophobicContact CG-CD1 4.01Å; V298-L302 HydrophobicContact CG1-CD1 3.86Å; V298-L302 HydrophobicContact CG1-CG 4.4Å; V298-L302 WeakPolarHBondContact O-CB 3.49Å; V298-L302 WeakPolarHBondContact O-CG 3.47Å; V298-L302 PolarHBondContact O-N 2.89Å; T299-L302 PolarHBondContact O-N 3.36Å
303	I	95.1	Very high	95.7	Very high	23 Å²	23	21.5 Å²	21.5	12%	0.118	11%	0.106	C	C	.	.	H	α-helix	trans	-74.1	-26.8	175.6	-69.7	166.4	0	0	0	112.1	L262 T299 T305 T385 W388	L262-I303 HydrophobicContact CD2-CD1 4.5Å; L262-I303 HydrophobicContact CD2-CG1 4.11Å; T299-I303 WeakPolarHBondContact O-CG1 3.37Å; T299-I303 PolarHBondContact O-N 3.45Å; T299-I303 VanDerWaalsContact O-N 3.1Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 HydrophobicContact CG2-CG2 3.83Å; I303-T305 PolarHBondContact O-N 3.31Å; I303-T385 HydrophobicContact CD1-CG2 3.6Å; I303-W388 HydrophobicContact CD1-CB 3.99Å; I303-W388 HydrophobicContact CD1-CD2 4.49Å; I303-W388 HydrophobicContact CD1-CG 4.09Å; I303-W388 HydrophobicContact CG1-CB 4.27Å; I303-W388 HydrophobicContact CG1-CD2 4.42Å; I303-W388 HydrophobicContact CG1-CG 3.97Å; I303-W388 HydrophobicContact CG2-CB 4.16Å; I303-W388 HydrophobicContact CG2-CG 4.35Å
304	Q	93.4	Very high	95.6	Very high	44 Å²	44	21.8 Å²	21.8	21%	0.206	11%	0.107	C	C	.	.			trans	56.6	33.9	172.1	-57	-179.7	-20.1	0	0	115.9	T247 N251 T254 A300 I301 F309	T247-Q304 HydrophobicContact CG2-CG 4.31Å; N251-Q304 PolarHBondContact OD1-NE2 3.48Å; N251-Q304 PolarHBondContact OD1-OE1 2.99Å; T254-Q304 PolarHBondContact OG1-OE1 2.67Å; A300-Q304 PolarHBondContact O-N 3.01Å; I301-Q304 WeakPolarHBondContact O-CG 3.36Å; I301-Q304 PolarHBondContact O-N 3.3Å; Q304-F309 HydrophobicContact CB-CE2 4.47Å; Q304-F309 HydrophobicContact CB-CZ 3.94Å; Q304-F309 HydrophobicContact CG-CE1 4.43Å; Q304-F309 HydrophobicContact CG-CZ 3.99Å
305	T	93.3	Very high	95.6	Very high	42 Å²	42	21.7 Å²	21.7	26%	0.258	11%	0.107	S	C	.	.			trans	-90.2	153.5	169.3	62.5	0	0	0	0	110.6	I303 W307 S308 F309 T384	I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 HydrophobicContact CG2-CG2 3.83Å; I303-T305 PolarHBondContact O-N 3.31Å; T305-W307 VanDerWaalsContact C-N 3.31Å; T305-W307 PolarHBondContact O-N 2.79Å; T305-S308 PolarHBondContact N-OG 3.28Å; T305-S308 PolarHBondContact O-N 3.45Å; T305-S308 PolarHBondContact O-OG 2.91Å; T305-S308 WeakPolarHBondContact OG1-CB 3.45Å; T305-S308 PolarHBondContact OG1-N 3.44Å; T305-S308 PolarHBondContact OG1-OG 3.07Å; T305-F309 PolarHBondContact O-N 3.22Å; T305-T384 WeakPolarHBondContact OG1-CG2 3.41Å
306	P	92.4	Very high	95.6	Very high	89 Å²	89	21.4 Å²	21.4	58%	0.578	11%	0.105	S	C	*	.	H	α-helix	trans	-54	-46.6	177.1	-27.4	34.9	0	0	0	112.7	S308 F309 T310	P306-S308 VanDerWaalsContact C-N 3.27Å; P306-S308 PolarHBondContact O-N 3.44Å; P306-F309 PolarHBondContact O-N 3.36Å; P306-T310 WeakPolarHBondContact O-CG2 3.47Å; P306-T310 PolarHBondContact O-N 2.65Å
307	W	93.6	Very high	95.6	Very high	171 Å²	171	21.5 Å²	21.5	65%	0.648	11%	0.105	S	C	*	.	H	α-helix	trans	-64.4	-28.5	176.7	-76.4	74.8	0	0	0	113.2	T305 T310 G311 T384	T305-W307 VanDerWaalsContact C-N 3.31Å; T305-W307 PolarHBondContact O-N 2.79Å; W307-T310 WeakPolarHBondContact CA-OG1 3.15Å; W307-T310 PolarHBondContact O-OG1 2.92Å; W307-G311 PolarHBondContact O-N 3.48Å; W307-T384 HydrophobicContact CB-CG2 3.31Å; W307-T384 HydrophobicContact CG-CG2 4.49Å
308	S	95.1	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-79.2	-36.4	179.4	70.4	0	0	0	0	110.4	A300 T305 P306 A312 T384	A300-S308 WeakPolarHBondContact CB-O 3.06Å; A300-S308 WeakPolarHBondContact O-CB 3.13Å; A300-S308 PolarHBondContact O-OG 3.03Å; T305-S308 PolarHBondContact N-OG 3.28Å; T305-S308 PolarHBondContact O-N 3.45Å; T305-S308 PolarHBondContact O-OG 2.91Å; T305-S308 WeakPolarHBondContact OG1-CB 3.45Å; T305-S308 PolarHBondContact OG1-N 3.44Å; T305-S308 PolarHBondContact OG1-OG 3.07Å; P306-S308 VanDerWaalsContact C-N 3.27Å; P306-S308 PolarHBondContact O-N 3.44Å; S308-A312 WeakPolarHBondContact O-CB 3.48Å; S308-A312 PolarHBondContact O-N 3.39Å; S308-T384 WeakPolarHBondContact CB-OG1 3.19Å
309	F	94.5	Very high	95.5	Very high	46 Å²	46	21.5 Å²	21.5	20%	0.202	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-41.3	170.6	-70.9	-33.6	0	0	0	112.2	M244 T247 I301 Q304 T305 P306 A312 V313	M244-F309 HydrophobicContact CE-CD1 4.12Å; M244-F309 HydrophobicContact CG-CD1 4.19Å; M244-F309 HydrophobicContact CG-CE1 4.28Å; T247-F309 HydrophobicContact CG2-CE1 4.33Å; T247-F309 HydrophobicContact CG2-CZ 4.01Å; I301-F309 HydrophobicContact CB-CE1 4.46Å; I301-F309 HydrophobicContact CG2-CE1 4.17Å; Q304-F309 HydrophobicContact CB-CE2 4.47Å; Q304-F309 HydrophobicContact CB-CZ 3.94Å; Q304-F309 HydrophobicContact CG-CE1 4.43Å; Q304-F309 HydrophobicContact CG-CZ 3.99Å; T305-F309 PolarHBondContact O-N 3.22Å; P306-F309 PolarHBondContact O-N 3.36Å; F309-A312 PolarHBondContact O-N 3.49Å; F309-V313 WeakPolarHBondContact O-CG2 3.46Å; F309-V313 PolarHBondContact O-N 2.7Å
310	T	93.8	Very high	95.5	Very high	10 Å²	10	21.5 Å²	21.5	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-45.8	-179.7	64.7	0	0	0	0	110.6	P306 W307 A312 V313 I314 T455 S458	P306-T310 WeakPolarHBondContact O-CG2 3.47Å; P306-T310 PolarHBondContact O-N 2.65Å; W307-T310 WeakPolarHBondContact CA-OG1 3.15Å; W307-T310 PolarHBondContact O-OG1 2.92Å; T310-A312 VanDerWaalsContact C-N 3.33Å; T310-A312 PolarHBondContact O-N 3.15Å; T310-V313 PolarHBondContact O-N 3.44Å; T310-I314 WeakPolarHBondContact O-CD1 3.33Å; T310-I314 VanDerWaalsContact O-CG1 3.26Å; T310-I314 WeakPolarHBondContact O-CG1 3.48Å; T310-I314 PolarHBondContact O-N 3.17Å; T310-T455 WeakPolarHBondContact CA-O 3.49Å; T310-T455 VanDerWaalsContact CB-O 3.23Å; T310-T455 WeakPolarHBondContact CB-O 3.39Å; T310-T455 WeakPolarHBondContact CG2-O 3.29Å; T310-S458 VanDerWaalsContact CG2-CB 3.41Å; T310-S458 WeakPolarHBondContact CG2-OG 3.33Å
311	G	95.6	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-41.8	172.9	0	0	0	0	0	113.8	W307 L315 S380	W307-G311 PolarHBondContact O-N 3.48Å; G311-L315 WeakPolarHBondContact O-CB 3.42Å; G311-L315 PolarHBondContact O-N 3.44Å; G311-S380 WeakPolarHBondContact CA-OG 3.36Å
312	A	96.5	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.6	0	0	0	0	0	112.5	M244 V297 A300 I301 S308 F309 T310 M316	M244-A312 HydrophobicContact CE-CB 3.38Å; V297-A312 HydrophobicContact CG1-CB 4.13Å; A300-A312 HydrophobicContact CB-CB 3.96Å; I301-A312 HydrophobicContact CG1-CB 4.08Å; S308-A312 WeakPolarHBondContact O-CB 3.48Å; S308-A312 PolarHBondContact O-N 3.39Å; F309-A312 PolarHBondContact O-N 3.49Å; T310-A312 VanDerWaalsContact C-N 3.33Å; T310-A312 PolarHBondContact O-N 3.15Å; A312-M316 WeakPolarHBondContact O-CB 3.5Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.27Å; A312-M316 PolarHBondContact O-N 3.16Å
313	V	95.8	Very high	95.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-49	177.9	176.4	0	0	0	0	111.1	L61 M244 F309 T310 L315 M316 I317 I454	L61-V313 HydrophobicContact CD1-CG2 3.36Å; M244-V313 HydrophobicContact CE-CG2 3.82Å; M244-V313 HydrophobicContact SD-CG2 3.95Å; F309-V313 WeakPolarHBondContact O-CG2 3.46Å; F309-V313 PolarHBondContact O-N 2.7Å; T310-V313 PolarHBondContact O-N 3.44Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 2.9Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.47Å; V313-M316 PolarHBondContact O-N 3.01Å; V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 VanDerWaalsContact O-CD1 3.32Å; V313-I317 WeakPolarHBondContact O-CD1 3.46Å; V313-I317 WeakPolarHBondContact O-CG1 3.46Å; V313-I317 PolarHBondContact O-N 3.06Å; V313-I317 VanDerWaalsContact O-N 3.12Å; V313-I454 WeakPolarHBondContact CG1-O 3.48Å
314	I	96.1	Very high	95.8	Very high	5 Å²	5	20 Å²	20	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-56.5	-51.1	177.5	-66.6	160	0	0	0	109.5	T310 M316 I317 A318 I373 L376 I454 T455	T310-I314 WeakPolarHBondContact O-CD1 3.33Å; T310-I314 VanDerWaalsContact O-CG1 3.26Å; T310-I314 WeakPolarHBondContact O-CG1 3.48Å; T310-I314 PolarHBondContact O-N 3.17Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 3.37Å; I314-I317 PolarHBondContact O-N 3.13Å; I314-A318 WeakPolarHBondContact O-CB 3.48Å; I314-A318 PolarHBondContact O-N 3.2Å; I314-I373 HydrophobicContact CG2-CB 4.42Å; I314-I373 VanDerWaalsContact CG2-O 3.23Å; I314-I373 WeakPolarHBondContact CG2-O 3.32Å; I314-L376 HydrophobicContact CD1-CD2 3.64Å; I314-L376 HydrophobicContact CD1-CG 4.12Å; I314-L376 HydrophobicContact CG1-CD2 4.35Å; I314-L376 HydrophobicContact CG2-CB 4.17Å; I314-L376 HydrophobicContact CG2-CD2 4.07Å; I314-L376 HydrophobicContact CG2-CG 4.42Å; I314-I454 HydrophobicContact CG1-CD1 4.28Å; I314-I454 HydrophobicContact CG1-CG1 4.19Å; I314-I454 WeakPolarHBondContact CG1-O 3.15Å; I314-I454 HydrophobicContact CG2-CD1 4.09Å; I314-T455 HydrophobicContact CD1-CG2 4.36Å
315	L	96.8	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-38.5	-179.7	-172.6	65.8	0	0	0	112.1	L296 V297 G311 V313 I317 H319 E378	L296-L315 HydrophobicContact CB-CD2 3.76Å; L296-L315 HydrophobicContact CD1-CD2 4.4Å; V297-L315 HydrophobicContact CG2-CB 4.21Å; V297-L315 HydrophobicContact CG2-CD2 3.61Å; V297-L315 HydrophobicContact CG2-CG 4.01Å; G311-L315 WeakPolarHBondContact O-CB 3.42Å; G311-L315 PolarHBondContact O-N 3.44Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 2.9Å; L315-I317 PolarHBondContact O-N 2.87Å; L315-H319 WeakPolarHBondContact O-CA 3.36Å; L315-H319 WeakPolarHBondContact O-CB 3.28Å; L315-H319 PolarHBondContact O-N 3.32Å; L315-E378 HydrophobicContact CD1-CG 3.61Å
316	M	97.4	Very high	96.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.1	-45.7	175.6	-84.3	-169.4	-64.7	0	0	112	K237 M244 V297 A312 V313 I314 G320	K237-M316 HydrophobicContact CB-SD 4.15Å; K237-M316 WeakPolarHBondContact CE-O 3.49Å; K237-M316 HydrophobicContact CG-CB 3.75Å; K237-M316 HydrophobicContact CG-CG 3.88Å; K237-M316 HydrophobicContact CG-SD 4.02Å; M244-M316 HydrophobicContact CE-CE 3.76Å; M244-M316 HydrophobicContact SD-CE 4.14Å; V297-M316 HydrophobicContact CG1-CG 3.78Å; V297-M316 HydrophobicContact CG1-SD 4.03Å; V297-M316 HydrophobicContact CG2-CG 4.03Å; A312-M316 WeakPolarHBondContact O-CB 3.5Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.27Å; A312-M316 PolarHBondContact O-N 3.16Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.47Å; V313-M316 PolarHBondContact O-N 3.01Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 3.37Å; M316-G320 PolarHBondContact O-N 3.32Å
317	I	97.5	Very high	96.6	Very high	5 Å²	5	11.7 Å²	11.7	3%	0.026	5%	0.048	C	C	.	.	H	α-helix	trans	-70.8	-48.5	-179.3	-61.7	151.3	0	0	0	110.3	P64 V313 I314 L315 G320 L321 L447 I454	P64-I317 HydrophobicContact CB-CD1 3.24Å; P64-I317 HydrophobicContact CB-CG1 3.92Å; P64-I317 HydrophobicContact CG-CD1 4.01Å; V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 VanDerWaalsContact O-CD1 3.32Å; V313-I317 WeakPolarHBondContact O-CD1 3.46Å; V313-I317 WeakPolarHBondContact O-CG1 3.46Å; V313-I317 PolarHBondContact O-N 3.06Å; V313-I317 VanDerWaalsContact O-N 3.12Å; I314-I317 PolarHBondContact O-N 3.13Å; L315-I317 PolarHBondContact O-N 2.87Å; I317-G320 WeakPolarHBondContact O-CA 3.37Å; I317-G320 PolarHBondContact O-N 3.5Å; I317-L321 HydrophobicContact CG2-CD1 4.47Å; I317-L321 PolarHBondContact O-N 3.09Å; I317-L447 HydrophobicContact CG2-CD1 4.2Å; I317-I454 HydrophobicContact CD1-CB 3.59Å; I317-I454 HydrophobicContact CD1-CG2 3.67Å
318	A	96.8	Very high	96.7	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.7	-48.1	-177.2	0	0	0	0	0	111.1	I314 G320 L321 T322 I373 N374	I314-A318 WeakPolarHBondContact O-CB 3.48Å; I314-A318 PolarHBondContact O-N 3.2Å; A318-G320 VanDerWaalsContact C-N 3.3Å; A318-G320 PolarHBondContact O-N 3.32Å; A318-L321 PolarHBondContact O-N 3.13Å; A318-T322 WeakPolarHBondContact O-CG2 3.33Å; A318-T322 PolarHBondContact O-N 2.95Å; A318-T322 PolarHBondContact O-OG1 3.44Å; A318-I373 HydrophobicContact CB-CB 4.08Å; A318-I373 HydrophobicContact CB-CD1 3.58Å; A318-I373 HydrophobicContact CB-CG1 3.65Å; A318-N374 WeakPolarHBondContact CA-OD1 3.42Å; A318-N374 HydrophobicContact CB-CB 4.48Å; A318-N374 WeakPolarHBondContact CB-OD1 3.28Å; A318-N374 PolarHBondContact O-OD1 3.33Å
319	H	97.1	Very high	96.9	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.005	2%	0.019	C	C	.	.	H	α-helix	trans	-62.5	-36.5	172	-176	64.8	0	0	0	112.1	K237 S290 H293 M294 L315 L321 T322 S323	K237-H319 PolarHBondContact NZ-CD2 2.95Å; K237-H319 VanDerWaalsContact NZ-CD2 3.35Å; S290-H319 VanDerWaalsContact CA-NE2 3.34Å; S290-H319 WeakPolarHBondContact CA-NE2 3.5Å; S290-H319 WeakPolarHBondContact CB-NE2 3.4Å; H293-H319 AromaticContact CD2-CE1 3.56Å; H293-H319 AromaticContact CD2-ND1 3.37Å; H293-H319 PolarHBondContact CD2-ND1 2.95Å; H293-H319 AromaticContact CG-CE1 3.98Å; H293-H319 AromaticContact CG-ND1 3.62Å; M294-H319 HydrophobicContact CE-CB 3.84Å; M294-H319 WeakPolarHBondContact CE-CD2 2.88Å; L315-H319 WeakPolarHBondContact O-CA 3.36Å; L315-H319 WeakPolarHBondContact O-CB 3.28Å; L315-H319 PolarHBondContact O-N 3.32Å; H319-L321 PolarHBondContact O-N 3.39Å; H319-T322 VanDerWaalsContact CA-OG1 3.26Å; H319-T322 WeakPolarHBondContact CA-OG1 3.24Å; H319-T322 PolarHBondContact O-N 2.7Å; H319-T322 PolarHBondContact O-OG1 2.94Å; H319-S323 VanDerWaalsContact O-CB 3.23Å; H319-S323 WeakPolarHBondContact O-CB 3.06Å; H319-S323 PolarHBondContact O-N 3.47Å; H319-S323 PolarHBondContact O-OG 2.98Å
320	G	97.1	Very high	97	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-62	-42	178.5	0	0	0	0	0	113.5	A233 M316 I317 A318 S324	A233-G320 WeakPolarHBondContact CB-O 3.41Å; M316-G320 PolarHBondContact O-N 3.32Å; I317-G320 WeakPolarHBondContact O-CA 3.37Å; I317-G320 PolarHBondContact O-N 3.5Å; A318-G320 VanDerWaalsContact C-N 3.3Å; A318-G320 PolarHBondContact O-N 3.32Å; G320-S324 WeakPolarHBondContact O-CB 3.33Å; G320-S324 PolarHBondContact O-N 3.21Å; G320-S324 PolarHBondContact O-OG 3Å
321	L	97.5	Very high	97.1	Very high	5 Å²	5	2 Å²	2	3%	0.026	1%	0.012	C	C	.	.	H	α-helix	trans	-72.4	-43.1	175.8	-67.9	168.6	0	0	0	112.2	L68 I317 A318 H319 S324 L325 P443 I444 L447	L68-L321 HydrophobicContact CD1-CD2 3.55Å; L68-L321 HydrophobicContact CD1-CG 3.8Å; I317-L321 HydrophobicContact CG2-CD1 4.47Å; I317-L321 PolarHBondContact O-N 3.09Å; A318-L321 PolarHBondContact O-N 3.13Å; H319-L321 PolarHBondContact O-N 3.39Å; L321-S324 PolarHBondContact O-OG 3.38Å; L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 PolarHBondContact O-N 2.88Å; L321-L325 VanDerWaalsContact O-N 3.1Å; L321-P443 HydrophobicContact CD1-CB 4.06Å; L321-I444 HydrophobicContact CB-CD1 3.77Å; L321-I444 HydrophobicContact CB-CG1 3.63Å; L321-I444 HydrophobicContact CD1-CG1 3.76Å; L321-I444 HydrophobicContact CG-CG1 4.31Å; L321-L447 HydrophobicContact CD1-CD1 4.19Å
322	T	97.6	Very high	97.1	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-70.8	-44.1	-177.8	49.9	0	0	0	0	113.1	A318 H319 L325 L326 A365 N374 I444	A318-T322 WeakPolarHBondContact O-CG2 3.33Å; A318-T322 PolarHBondContact O-N 2.95Å; A318-T322 PolarHBondContact O-OG1 3.44Å; H319-T322 VanDerWaalsContact CA-OG1 3.26Å; H319-T322 WeakPolarHBondContact CA-OG1 3.24Å; H319-T322 PolarHBondContact O-N 2.7Å; H319-T322 PolarHBondContact O-OG1 2.94Å; T322-L325 WeakPolarHBondContact O-CB 3.29Å; T322-L325 PolarHBondContact O-N 3.27Å; T322-L326 WeakPolarHBondContact O-CG 3.3Å; T322-L326 PolarHBondContact O-N 3.32Å; T322-A365 HydrophobicContact CG2-CB 3.52Å; T322-N374 PolarHBondContact OG1-ND2 3.43Å; T322-I444 HydrophobicContact CG2-CD1 3.76Å
323	S	97.1	Very high	97.1	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.007	2%	0.015	C	C	.	.	H	α-helix	trans	-65	-40.4	177.1	59.2	0	0	0	0	112.4	A232 H319 L326 F327	A232-S323 WeakPolarHBondContact CB-OG 3.19Å; H319-S323 VanDerWaalsContact O-CB 3.23Å; H319-S323 WeakPolarHBondContact O-CB 3.06Å; H319-S323 PolarHBondContact O-N 3.47Å; H319-S323 PolarHBondContact O-OG 2.98Å; S323-L326 PolarHBondContact O-N 2.96Å; S323-F327 WeakPolarHBondContact O-CD2 3.21Å; S323-F327 PolarHBondContact O-N 2.91Å
324	S	97.7	Very high	97	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.3	-41.5	176.2	55.1	0	0	0	0	112.1	G320 L321 L326 F327 C328 H440	G320-S324 WeakPolarHBondContact O-CB 3.33Å; G320-S324 PolarHBondContact O-N 3.21Å; G320-S324 PolarHBondContact O-OG 3Å; L321-S324 PolarHBondContact O-OG 3.38Å; S324-L326 PolarHBondContact O-N 3.06Å; S324-F327 PolarHBondContact O-N 3.32Å; S324-C328 PolarHBondContact O-N 2.77Å; S324-C328 PolarHBondContact O-SG 3.35Å; S324-H440 PolarHBondContact OG-CE1 2.87Å; S324-H440 PolarHBondContact OG-ND1 2.87Å
325	L	98.1	Very high	96.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-57.4	-47.7	171.5	176.3	65.4	0	0	0	112.1	L321 T322 F327 C328 L329 A362 M437 H440 L441	L321-L325 WeakPolarHBondContact O-CB 3.36Å; L321-L325 PolarHBondContact O-N 2.88Å; L321-L325 VanDerWaalsContact O-N 3.1Å; T322-L325 WeakPolarHBondContact O-CB 3.29Å; T322-L325 PolarHBondContact O-N 3.27Å; L325-F327 PolarHBondContact O-N 2.85Å; L325-C328 WeakPolarHBondContact O-CB 3.01Å; L325-C328 PolarHBondContact O-N 3.27Å; L325-C328 VanDerWaalsContact O-N 3.11Å; L325-L329 HydrophobicContact CD1-CD1 4.48Å; L325-L329 HydrophobicContact CD1-CG 4.5Å; L325-L329 HydrophobicContact CG-CD1 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.18Å; L325-L329 PolarHBondContact O-N 2.96Å; L325-A362 HydrophobicContact CD2-CB 3.47Å; L325-A362 VanDerWaalsContact CD2-CB 3.47Å; L325-A362 HydrophobicContact CG-CB 3.9Å; L325-M437 HydrophobicContact CD1-CB 4.08Å; L325-M437 HydrophobicContact CD1-CG 4.31Å; L325-M437 HydrophobicContact CD1-SD 3.44Å; L325-M437 WeakPolarHBondContact CD1-SD 3.07Å; L325-H440 HydrophobicContact CB-CB 3.94Å; L325-H440 HydrophobicContact CD1-CB 3.76Å; L325-H440 HydrophobicContact CG-CB 4.3Å; L325-L441 HydrophobicContact CD2-CD1 4.05Å; L325-L441 HydrophobicContact CD2-CD2 3.75Å; L325-L441 HydrophobicContact CD2-CG 3.65Å
326	L	97.9	Very high	96.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62	-41.3	178.5	-72.6	171.8	0	0	0	112.2	I286 T322 S323 S324 C328 L329 A330 W359 A362 N366 M410	I286-L326 HydrophobicContact CD1-CB 3.91Å; I286-L326 WeakPolarHBondContact CD1-O 3.36Å; I286-L326 HydrophobicContact CG1-CB 4.1Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; T322-L326 WeakPolarHBondContact O-CG 3.3Å; T322-L326 PolarHBondContact O-N 3.32Å; S323-L326 PolarHBondContact O-N 2.96Å; S324-L326 PolarHBondContact O-N 3.06Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 2.71Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 PolarHBondContact O-N 3.44Å; L326-A330 WeakPolarHBondContact O-CB 3.4Å; L326-A330 PolarHBondContact O-N 3.48Å; L326-W359 HydrophobicContact CD2-CZ3 4.44Å; L326-A362 HydrophobicContact CD2-CB 3.77Å; L326-A362 HydrophobicContact CG-CB 4.39Å; L326-N366 HydrophobicContact CD1-CB 4.09Å; L326-M410 HydrophobicContact CD1-CE 4.33Å; L326-M410 HydrophobicContact CD2-CE 4.39Å; L326-M410 HydrophobicContact CD2-SD 3.89Å
327	F	98.2	Very high	96.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.4	-34.6	174.1	-81.2	-64.8	0	0	0	112.1	H220 I225 A232 K283 I286 A287 S323 S324 L325 A330 N331	H220-F327 HydrophobicContact CB-CE1 4.1Å; H220-F327 HydrophobicContact CB-CZ 3.88Å; H220-F327 AromaticContact CE1-CE2 4Å; H220-F327 AromaticContact CG-CZ 3.79Å; H220-F327 AromaticContact ND1-CE2 3.44Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.18Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.34Å; I225-F327 HydrophobicContact CD1-CB 4.04Å; I225-F327 WeakPolarHBondContact CD1-O 3.17Å; A232-F327 HydrophobicContact CB-CD2 3.85Å; A232-F327 HydrophobicContact CB-CE2 3.68Å; K283-F327 HydrophobicContact CB-CE1 4.39Å; K283-F327 HydrophobicContact CG-CD1 4.37Å; K283-F327 HydrophobicContact CG-CE1 4.49Å; I286-F327 HydrophobicContact CB-CD1 4.49Å; I286-F327 HydrophobicContact CB-CE1 4.02Å; I286-F327 HydrophobicContact CB-CE2 4.4Å; I286-F327 HydrophobicContact CB-CZ 3.96Å; I286-F327 HydrophobicContact CD1-CD1 4.42Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.83Å; I286-F327 HydrophobicContact CG2-CE1 3.95Å; I286-F327 HydrophobicContact CG2-CE2 3.49Å; I286-F327 VanDerWaalsContact CG2-CE2 3.49Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.55Å; A287-F327 HydrophobicContact CB-CZ 4.43Å; S323-F327 WeakPolarHBondContact O-CD2 3.21Å; S323-F327 PolarHBondContact O-N 2.91Å; S324-F327 PolarHBondContact O-N 3.32Å; L325-F327 PolarHBondContact O-N 2.85Å; F327-A330 WeakPolarHBondContact O-CB 3.36Å; F327-A330 PolarHBondContact O-N 2.85Å; F327-N331 WeakPolarHBondContact O-CB 3.27Å; F327-N331 PolarHBondContact O-N 3.12Å
328	C	97.4	Very high	96.2	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.034	7%	0.068	C	C	.	.	H	α-helix	trans	-69.6	-40.4	175.3	-69.7	0	0	0	0	112.8	M229 S324 L325 L326 A330 N331 S332 L436 M437	M229-C328 VanDerWaalsContact CE-SG 3.6Å; M229-C328 PolarHBondContact SD-SG 3.44Å; S324-C328 PolarHBondContact O-N 2.77Å; S324-C328 PolarHBondContact O-SG 3.35Å; L325-C328 WeakPolarHBondContact O-CB 3.01Å; L325-C328 PolarHBondContact O-N 3.27Å; L325-C328 VanDerWaalsContact O-N 3.11Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 2.71Å; C328-A330 VanDerWaalsContact C-N 3.34Å; C328-N331 WeakPolarHBondContact O-CB 3.49Å; C328-N331 PolarHBondContact O-N 2.67Å; C328-N331 VanDerWaalsContact O-N 3.15Å; C328-S332 PolarHBondContact O-N 2.79Å; C328-L436 HydrophobicContact CB-CD2 3.36Å; C328-L436 WeakPolarHBondContact SG-CD2 3.32Å; C328-M437 HydrophobicContact CB-CE 3.91Å; C328-M437 HydrophobicContact CB-SD 4.19Å
329	L	97.8	Very high	95.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-39.9	172.5	-71.8	170.9	0	0	0	111.6	L325 L326 N331 S332 N333 M355 W358 W359 A362 M437	L325-L329 HydrophobicContact CD1-CD1 4.48Å; L325-L329 HydrophobicContact CD1-CG 4.5Å; L325-L329 HydrophobicContact CG-CD1 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.18Å; L325-L329 PolarHBondContact O-N 2.96Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 PolarHBondContact O-N 3.44Å; L329-N331 PolarHBondContact O-N 3.04Å; L329-S332 PolarHBondContact O-N 3.21Å; L329-S332 PolarHBondContact O-OG 3.39Å; L329-N333 PolarHBondContact O-N 3.26Å; L329-M355 HydrophobicContact CD2-CG 4.47Å; L329-M355 HydrophobicContact CD2-SD 3.53Å; L329-M355 VanDerWaalsContact CD2-SD 3.53Å; L329-W358 HydrophobicContact CD2-CB 4.01Å; L329-W359 HydrophobicContact CB-CD2 4.08Å; L329-W359 HydrophobicContact CB-CE3 4.45Å; L329-W359 HydrophobicContact CB-CH2 3.93Å; L329-W359 HydrophobicContact CB-CZ2 3.56Å; L329-W359 HydrophobicContact CB-CZ3 4.37Å; L329-W359 HydrophobicContact CD1-CD2 3.97Å; L329-W359 HydrophobicContact CD1-CE3 4.16Å; L329-W359 HydrophobicContact CD1-CG 4.17Å; L329-W359 HydrophobicContact CD2-CD2 4.42Å; L329-W359 HydrophobicContact CD2-CG 4.21Å; L329-W359 HydrophobicContact CG-CD2 4.4Å; L329-A362 HydrophobicContact CD1-CB 3.48Å; L329-A362 VanDerWaalsContact CD1-CB 3.48Å; L329-M437 HydrophobicContact CD2-CE 3.75Å; L329-M437 HydrophobicContact CD2-CG 4.11Å; L329-M437 HydrophobicContact CD2-SD 3.6Å; L329-M437 VanDerWaalsContact CD2-SD 3.6Å; L329-M437 HydrophobicContact CG-CE 4.1Å; L329-M437 HydrophobicContact CG-SD 3.77Å
330	A	97.3	Very high	95.7	Very high	5 Å²	5	17.9 Å²	17.9	4%	0.041	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-40.6	170.8	0	0	0	0	0	112	L282 K283 I286 L326 F327 C328 N333 Y334	L282-A330 HydrophobicContact CD2-CB 3.1Å; K283-A330 HydrophobicContact CG-CB 4.13Å; I286-A330 HydrophobicContact CD1-CB 3.85Å; L326-A330 WeakPolarHBondContact O-CB 3.4Å; L326-A330 PolarHBondContact O-N 3.48Å; F327-A330 WeakPolarHBondContact O-CB 3.36Å; F327-A330 PolarHBondContact O-N 2.85Å; C328-A330 VanDerWaalsContact C-N 3.34Å; A330-N333 PolarHBondContact O-N 2.83Å; A330-Y334 WeakPolarHBondContact O-CB 3.49Å; A330-Y334 PolarHBondContact O-N 3.41Å
331	N	96.7	Very high	95.5	Very high	13 Å²	13	21.6 Å²	21.6	7%	0.07	11%	0.106	C	C	.	.	H	α-helix	trans	-71.8	-34.5	-179.3	-174.1	65.8	0	0	0	112.9	I225 F327 C328 L329 N333 Y334 E335	I225-N331 HydrophobicContact CB-CB 4.25Å; I225-N331 HydrophobicContact CD1-CB 3.72Å; I225-N331 HydrophobicContact CG1-CB 3.85Å; F327-N331 WeakPolarHBondContact O-CB 3.27Å; F327-N331 PolarHBondContact O-N 3.12Å; C328-N331 WeakPolarHBondContact O-CB 3.49Å; C328-N331 PolarHBondContact O-N 2.67Å; C328-N331 VanDerWaalsContact O-N 3.15Å; L329-N331 PolarHBondContact O-N 3.04Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 2.98Å; N331-Y334 PolarHBondContact O-N 3.49Å; N331-E335 PolarHBondContact ND2-OE1 3.09Å; N331-E335 WeakPolarHBondContact O-CB 3.26Å; N331-E335 WeakPolarHBondContact O-CG 3.48Å; N331-E335 PolarHBondContact O-N 3.38Å
332	S	95.8	Very high	95.3	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-36.9	175.6	67.3	0	0	0	0	111.5	C328 L329 R336	C328-S332 PolarHBondContact O-N 2.79Å; L329-S332 PolarHBondContact O-N 3.21Å; L329-S332 PolarHBondContact O-OG 3.39Å; S332-R336 PolarHBondContact O-NH1 3.21Å
333	N	95.1	Very high	95	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-48.7	170.8	-69.4	-2.8	0	0	0	110.8	L329 A330 N331 E335 R336 T337 L348 W359	L329-N333 PolarHBondContact O-N 3.26Å; A330-N333 PolarHBondContact O-N 2.83Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 2.98Å; N333-E335 PolarHBondContact O-N 2.87Å; N333-R336 PolarHBondContact O-N 2.94Å; N333-T337 PolarHBondContact O-N 3.06Å; N333-T337 PolarHBondContact O-OG1 3.48Å; N333-T337 VanDerWaalsContact O-OG1 3.12Å; N333-L348 WeakPolarHBondContact OD1-CD1 3.21Å; N333-W359 WeakPolarHBondContact ND2-CZ2 3.42Å
334	Y	94.8	Very high	94.7	Very high	30 Å²	30	28.7 Å²	28.7	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-37.1	-178.6	-177.2	-96.7	0	0	0	113.7	N138 A330 N331 R336 H338 R340	N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.41Å; N138-Y334 PolarHBondContact ND2-OH 3.12Å; N138-Y334 VanDerWaalsContact ND2-OH 3.11Å; A330-Y334 WeakPolarHBondContact O-CB 3.49Å; A330-Y334 PolarHBondContact O-N 3.41Å; N331-Y334 PolarHBondContact O-N 3.49Å; Y334-R336 PolarHBondContact O-N 2.88Å; Y334-H338 VanDerWaalsContact O-CA 3.25Å; Y334-H338 WeakPolarHBondContact O-CA 3.32Å; Y334-H338 PolarHBondContact O-N 2.87Å; Y334-R340 HydrophobicContact CD2-CG 3.79Å; Y334-R340 HydrophobicContact CE2-CG 3.86Å
335	E	93.5	Very high	94.2	Very high	34 Å²	34	29 Å²	29	16%	0.159	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-17.1	175.9	-77.3	-177.7	-166	0	0	113.1	R82 N331 N333 R432	R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.47Å; N331-E335 PolarHBondContact ND2-OE1 3.09Å; N331-E335 WeakPolarHBondContact O-CB 3.26Å; N331-E335 WeakPolarHBondContact O-CG 3.48Å; N331-E335 PolarHBondContact O-N 3.38Å; N333-E335 PolarHBondContact O-N 2.87Å; E335-R432 IonicContact OE1-NH2 3.42Å; E335-R432 PolarHBondContact OE1-NH2 2.9Å; E335-R432 IonicContact OE2-NH2 3.96Å; E335-R432 PolarHBondContact OE2-NH2 2.9Å
336	R	92.8	Very high	93.9	Very high	25 Å²	25	31.7 Å²	31.7	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-101.8	-47.2	177.9	-64.9	173.9	174.4	71	2.7	112.7	S332 N333 Y334 M426 K427 P428 E433	S332-R336 PolarHBondContact O-NH1 3.21Å; N333-R336 PolarHBondContact O-N 2.94Å; Y334-R336 PolarHBondContact O-N 2.88Å; R336-M426 HydrophobicContact CB-CE 4.35Å; R336-M426 HydrophobicContact CB-SD 3.65Å; R336-M426 HydrophobicContact CG-SD 4.36Å; R336-K427 PolarHBondContact NE-O 3.14Å; R336-K427 PolarHBondContact NH2-O 3.23Å; R336-P428 PolarHBondContact NH2-O 2.69Å; R336-E433 IonicContact CZ-OE1 3.55Å; R336-E433 IonicContact CZ-OE2 3.53Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.41Å; R336-E433 IonicContact NH1-OE2 3.38Å; R336-E433 PolarHBondContact NH1-OE2 3Å; R336-E433 IonicContact NH2-OE1 3.38Å; R336-E433 PolarHBondContact NH2-OE1 2.66Å; R336-E433 IonicContact NH2-OE2 2.73Å; R336-E433 PolarHBondContact NH2-OE2 3.49Å
337	T	91.6	Very high	93.6	Very high	25 Å²	25	31.8 Å²	31.8	15%	0.153	16%	0.158	C	C	.	.	H	α-helix	trans	-93.7	-13.3	-173.3	64.4	0	0	0	0	113.6	N333 S339 I423 M426	N333-T337 PolarHBondContact O-N 3.06Å; N333-T337 PolarHBondContact O-OG1 3.48Å; N333-T337 VanDerWaalsContact O-OG1 3.12Å; T337-S339 PolarHBondContact O-N 3.07Å; T337-S339 PolarHBondContact O-OG 2.98Å; T337-S339 PolarHBondContact OG1-N 3.5Å; T337-S339 PolarHBondContact OG1-O 2.9Å; T337-S339 PolarHBondContact OG1-OG 3.19Å; T337-I423 HydrophobicContact CG2-CD1 4.22Å; T337-M426 HydrophobicContact CG2-CE 3.8Å; T337-M426 HydrophobicContact CG2-SD 4.21Å
338	H	92	Very high	93.5	Very high	142 Å²	142	31.9 Å²	31.9	66%	0.657	16%	0.159	S	C	*	.	S	Bend	trans	52.9	16.9	-174.1	-64.6	-60.1	0	0	0	115.2	Y334	Y334-H338 VanDerWaalsContact O-CA 3.25Å; Y334-H338 WeakPolarHBondContact O-CA 3.32Å; Y334-H338 PolarHBondContact O-N 2.87Å
339	S	91.4	Very high	93.4	Very high	32 Å²	32	35.8 Å²	35.8	22%	0.224	18%	0.176	C	C	.	.			trans	-132.3	145.9	-179.1	53.9	0	0	0	0	110.1	T337 L344	T337-S339 PolarHBondContact O-N 3.07Å; T337-S339 PolarHBondContact O-OG 2.98Å; T337-S339 PolarHBondContact OG1-N 3.5Å; T337-S339 PolarHBondContact OG1-O 2.9Å; T337-S339 PolarHBondContact OG1-OG 3.19Å; S339-L344 WeakPolarHBondContact OG-CD1 3.09Å
340	R	92.3	Very high	93.1	Very high	49 Å²	49	40.6 Å²	40.6	19%	0.185	21%	0.206	C	C	.	.			trans	-92.5	-6.5	-180	-60.3	-175.1	-67.6	-153.5	1.6	113	V221 E222 L282 Y334 M342	V221-R340 PolarHBondContact O-NH1 3.32Å; E222-R340 IonicContact OE1-CZ 3.36Å; E222-R340 IonicContact OE1-NH1 3.11Å; E222-R340 PolarHBondContact OE1-NH1 3.46Å; E222-R340 IonicContact OE1-NH2 3.96Å; E222-R340 PolarHBondContact OE1-NH2 3.45Å; E222-R340 IonicContact OE2-NH1 3.13Å; E222-R340 PolarHBondContact OE2-NH1 2.91Å; L282-R340 PolarHBondContact N-O 2.89Å; Y334-R340 HydrophobicContact CD2-CG 3.79Å; Y334-R340 HydrophobicContact CE2-CG 3.86Å; R340-M342 PolarHBondContact O-N 3.08Å
341	I	94.2	Very high	92.9	Very high	77 Å²	77	44.1 Å²	44.1	40%	0.395	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-72.2	119.7	-174.9	-60.4	165.3	0	0	0	108.9	I343 L344	I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 2.85Å; I341-L344 HydrophobicContact CB-CD1 3.88Å; I341-L344 HydrophobicContact CB-CG 4.1Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.46Å; I341-L344 HydrophobicContact CG2-CD1 4.35Å; I341-L344 HydrophobicContact CG2-CG 4.08Å; I341-L344 PolarHBondContact O-N 3.18Å
342	M	93.1	Very high	92.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.2	-38.3	-174.2	-175.1	167.8	73.7	0	0	113.1	T280 L282 L285 R340 L344 S345 Y409 T413 T414	T280-M342 WeakPolarHBondContact O-CB 3.35Å; T280-M342 PolarHBondContact O-N 3.13Å; L282-M342 HydrophobicContact CB-CB 4.27Å; L282-M342 HydrophobicContact CD1-CG 4.15Å; L285-M342 HydrophobicContact CD1-CE 4.35Å; L285-M342 HydrophobicContact CD1-SD 4.08Å; R340-M342 PolarHBondContact O-N 3.08Å; M342-L344 PolarHBondContact O-N 3.13Å; M342-S345 PolarHBondContact O-N 3.47Å; M342-S345 PolarHBondContact O-OG 3.28Å; M342-S345 VanDerWaalsContact O-OG 3.06Å; M342-Y409 HydrophobicContact CE-CD1 3.96Å; M342-Y409 HydrophobicContact CE-CE1 3.2Å; M342-T413 HydrophobicContact CE-CG2 4.12Å; M342-T413 WeakPolarHBondContact CE-OG1 3.29Å; M342-T413 WeakPolarHBondContact CG-OG1 3.21Å; M342-T413 PolarHBondContact SD-OG1 3.37Å; M342-T414 HydrophobicContact CG-CG2 3.79Å
343	I	91.4	Very high	92.9	Very high	87 Å²	87	48 Å²	48	45%	0.446	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-67.1	-22.8	-178.1	-63.4	168.2	0	0	0	112	I341 S345 Q346	I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 2.85Å; I343-S345 VanDerWaalsContact C-N 3.33Å; I343-Q346 WeakPolarHBondContact O-CG 3.39Å
344	L	90.6	Very high	93	Very high	69 Å²	69	51.5 Å²	51.5	36%	0.361	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-72.3	-29.2	176.6	-71.4	175.4	0	0	0	112.3	S339 I341 M342 Q346 T420 I423	S339-L344 WeakPolarHBondContact OG-CD1 3.09Å; I341-L344 HydrophobicContact CB-CD1 3.88Å; I341-L344 HydrophobicContact CB-CG 4.1Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.46Å; I341-L344 HydrophobicContact CG2-CD1 4.35Å; I341-L344 HydrophobicContact CG2-CG 4.08Å; I341-L344 PolarHBondContact O-N 3.18Å; M342-L344 PolarHBondContact O-N 3.13Å; L344-Q346 PolarHBondContact O-N 3.32Å; L344-T420 WeakPolarHBondContact O-CG2 3.07Å; L344-T420 PolarHBondContact O-OG1 2.95Å; L344-T420 VanDerWaalsContact O-OG1 3.05Å; L344-I423 WeakPolarHBondContact O-CD1 2.88Å
345	S	86.9	Confident	93.1	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	26%	0.262	C	S	.	.	S	Bend	trans	-100.4	56.9	-176.1	60	0	0	0	0	111.8	M342 I343 T414	M342-S345 PolarHBondContact O-N 3.47Å; M342-S345 PolarHBondContact O-OG 3.28Å; M342-S345 VanDerWaalsContact O-OG 3.06Å; I343-S345 VanDerWaalsContact C-N 3.33Å; S345-T414 CarbonylContact O-C 3.55Å; S345-T414 WeakPolarHBondContact O-CA 3.08Å
346	Q	91.9	Very high	93.2	Very high	58 Å²	58	48.7 Å²	48.7	27%	0.271	26%	0.256	S	S	.	.			trans	-89.6	156	178.6	-76.1	174.2	-4.5	0	0	112.9	I343 L344 L348 T413 T420	I343-Q346 WeakPolarHBondContact O-CG 3.39Å; L344-Q346 PolarHBondContact O-N 3.32Å; Q346-L348 VanDerWaalsContact C-N 3.27Å; Q346-L348 PolarHBondContact O-N 3.17Å; Q346-T413 VanDerWaalsContact CG-O 3.24Å; Q346-T413 WeakPolarHBondContact CG-O 2.89Å; Q346-T420 HydrophobicContact CB-CG2 4.4Å
347	G	92.1	Very high	93.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	27%	0.272	C	S	.	.			trans	67.8	17.9	169.7	0	0	0	0	0	115.8	Q349 T350 T414 Q415 W416 G417 L419	G347-Q349 PolarHBondContact O-N 3.11Å; G347-Q349 VanDerWaalsContact O-N 3.11Å; G347-T350 PolarHBondContact O-N 2.97Å; G347-T350 PolarHBondContact O-OG1 3.33Å; G347-T414 PolarHBondContact N-O 2.63Å; G347-Q415 CarbonylContact C-O 3.3Å; G347-Q415 VanDerWaalsContact C-O 3.24Å; G347-Q415 WeakPolarHBondContact CA-O 3.09Å; G347-W416 WeakPolarHBondContact CA-O 3.49Å; G347-W416 PolarHBondContact N-O 3.05Å; G347-G417 VanDerWaalsContact CA-O 3.32Å; G347-G417 WeakPolarHBondContact CA-O 3.43Å; G347-L419 VanDerWaalsContact O-CD2 3.28Å; G347-L419 WeakPolarHBondContact O-CD2 3.24Å
348	L	94.2	Very high	93.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.7	-18.7	-171.8	-66.6	-178.7	0	0	0	114.7	N333 Q346 T350 L351 L352 T414 Q415 M426	N333-L348 WeakPolarHBondContact OD1-CD1 3.21Å; Q346-L348 VanDerWaalsContact C-N 3.27Å; Q346-L348 PolarHBondContact O-N 3.17Å; L348-T350 PolarHBondContact O-N 3.43Å; L348-L351 PolarHBondContact O-N 3.03Å; L348-L352 PolarHBondContact O-N 3.37Å; L348-T414 WeakPolarHBondContact CB-O 3.19Å; L348-T414 WeakPolarHBondContact CG-O 3.46Å; L348-T414 PolarHBondContact N-O 2.95Å; L348-Q415 PolarHBondContact N-O 3.07Å; L348-M426 HydrophobicContact CD2-CE 3.25Å
349	Q	95.8	Very high	94	Very high	87 Å²	87	45.7 Å²	45.7	41%	0.407	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.1	-33.8	178.2	-178.8	175.6	-5.4	0	0	112.8	G347 L351 A356 Q415	G347-Q349 PolarHBondContact O-N 3.11Å; G347-Q349 VanDerWaalsContact O-N 3.11Å; Q349-L351 VanDerWaalsContact C-N 3.3Å; Q349-L351 PolarHBondContact O-N 3.27Å; Q349-A356 HydrophobicContact CB-CB 3.82Å; Q349-A356 HydrophobicContact CG-CB 3.81Å; Q349-Q415 HydrophobicContact CB-CB 4.33Å; Q349-Q415 VanDerWaalsContact CB-O 3.24Å; Q349-Q415 WeakPolarHBondContact CB-O 3.2Å; Q349-Q415 PolarHBondContact N-O 3.47Å
350	T	92.7	Very high	94.3	Very high	100 Å²	100	47.2 Å²	47.2	61%	0.613	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-69.1	-29.9	-179.5	58.5	0	0	0	0	112.4	G347 L348 L419	G347-T350 PolarHBondContact O-N 2.97Å; G347-T350 PolarHBondContact O-OG1 3.33Å; L348-T350 PolarHBondContact O-N 3.43Å; T350-L419 VanDerWaalsContact OG1-CD1 3.25Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.3Å; T350-L419 WeakPolarHBondContact OG1-CG 3.32Å
351	L	93.3	Very high	94.5	Very high	80 Å²	80	47.1 Å²	47.1	42%	0.419	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-38.3	179.9	-65.6	176.4	0	0	0	113.2	L348 Q349 L419 M426	L348-L351 PolarHBondContact O-N 3.03Å; Q349-L351 VanDerWaalsContact C-N 3.3Å; Q349-L351 PolarHBondContact O-N 3.27Å; L351-L419 HydrophobicContact CD1-CD1 4.2Å; L351-L419 HydrophobicContact CD1-CD2 3.41Å; L351-L419 VanDerWaalsContact CD1-CD2 3.41Å; L351-L419 HydrophobicContact CD1-CG 4.45Å; L351-L419 HydrophobicContact CD2-CD1 4.15Å; L351-L419 HydrophobicContact CG-CD1 3.94Å; L351-L419 HydrophobicContact CG-CD2 3.74Å; L351-L419 HydrophobicContact CG-CG 4.48Å; L351-M426 HydrophobicContact CD1-CB 3.92Å; L351-M426 HydrophobicContact CD1-CG 3.96Å
352	L	95.7	Very high	94.7	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	23%	0.228	C	C	.	.			trans	-129	66.6	-169.5	-61.3	169.5	0	0	0	110.8	L348 L354 M355 A356	L348-L352 PolarHBondContact O-N 3.37Å; L352-L354 PolarHBondContact O-N 3.18Å; L352-M355 HydrophobicContact CB-CB 3.81Å; L352-M355 WeakPolarHBondContact O-CB 3.49Å; L352-M355 PolarHBondContact O-N 3.18Å; L352-A356 PolarHBondContact O-N 2.87Å
353	P	95.3	Very high	94.9	Very high	90 Å²	90	43.5 Å²	43.5	58%	0.584	23%	0.228	S	C	*	.	H	α-helix	trans	-61.6	-38.9	-171	23.4	-34.4	0	0	0	113.4	A356 F357	P353-A356 PolarHBondContact O-N 3.09Å; P353-F357 PolarHBondContact O-N 3.27Å
354	L	97	Very high	95.1	Very high	81 Å²	81	41.4 Å²	41.4	42%	0.424	22%	0.218	S	C	.	.	H	α-helix	trans	-68.8	-35.7	176.4	-175.7	61.7	0	0	0	112	L352 A356 F357 W358	L352-L354 PolarHBondContact O-N 3.18Å; L354-A356 VanDerWaalsContact C-N 3.35Å; L354-F357 WeakPolarHBondContact O-CB 3.45Å; L354-F357 PolarHBondContact O-N 3.33Å; L354-W358 PolarHBondContact O-N 2.76Å; L354-W358 VanDerWaalsContact O-N 3.15Å
355	M	97	Very high	95.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-39.1	174	-167.5	60.6	69.2	0	0	111	L329 L352 F357 W358 W359 E433 M437	L329-M355 HydrophobicContact CD2-CG 4.47Å; L329-M355 HydrophobicContact CD2-SD 3.53Å; L329-M355 VanDerWaalsContact CD2-SD 3.53Å; L352-M355 HydrophobicContact CB-CB 3.81Å; L352-M355 WeakPolarHBondContact O-CB 3.49Å; L352-M355 PolarHBondContact O-N 3.18Å; M355-F357 VanDerWaalsContact C-N 3.29Å; M355-F357 PolarHBondContact O-N 3.01Å; M355-W358 WeakPolarHBondContact O-CB 3.12Å; M355-W358 PolarHBondContact O-N 3.06Å; M355-W358 VanDerWaalsContact O-N 3.12Å; M355-W359 VanDerWaalsContact O-CD1 3.27Å; M355-W359 PolarHBondContact O-N 3.49Å; M355-E433 HydrophobicContact CE-CB 3.87Å; M355-M437 HydrophobicContact SD-CE 4.27Å; M355-M437 HydrophobicContact SD-CG 4.35Å
356	A	97	Very high	95.8	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-36.3	174.1	0	0	0	0	0	112.2	Q349 L352 P353 L354 W359 L360 Q415	Q349-A356 HydrophobicContact CB-CB 3.82Å; Q349-A356 HydrophobicContact CG-CB 3.81Å; L352-A356 PolarHBondContact O-N 2.87Å; P353-A356 PolarHBondContact O-N 3.09Å; L354-A356 VanDerWaalsContact C-N 3.35Å; A356-W359 WeakPolarHBondContact O-CB 3.42Å; A356-W359 PolarHBondContact O-N 2.88Å; A356-L360 WeakPolarHBondContact O-CB 3.49Å; A356-L360 PolarHBondContact O-N 3.36Å; A356-Q415 HydrophobicContact CB-CG 4.37Å
357	F	97.1	Very high	96	Very high	101 Å²	101	36.7 Å²	36.7	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-42.7	171.1	178.5	-103.6	0	0	0	112.1	P353 L354 M355 L360 L361	P353-F357 PolarHBondContact O-N 3.27Å; L354-F357 WeakPolarHBondContact O-CB 3.45Å; L354-F357 PolarHBondContact O-N 3.33Å; M355-F357 VanDerWaalsContact C-N 3.29Å; M355-F357 PolarHBondContact O-N 3.01Å; F357-L360 WeakPolarHBondContact O-CB 3.36Å; F357-L360 PolarHBondContact O-N 3.29Å; F357-L361 HydrophobicContact CD1-CD1 4.06Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.14Å; F357-L361 HydrophobicContact CE2-CD1 4.35Å; F357-L361 HydrophobicContact CE2-CG 4.34Å; F357-L361 HydrophobicContact CZ-CD1 3.55Å; F357-L361 HydrophobicContact CZ-CD2 4.35Å; F357-L361 HydrophobicContact CZ-CG 4.01Å; F357-L361 PolarHBondContact O-N 3.21Å
358	W	97.9	Very high	96.1	Very high	27 Å²	27	36.8 Å²	36.8	10%	0.102	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-40.3	173.4	-60.1	129.7	0	0	0	112.8	L329 L354 M355 L360 L361 A362 N434 M437 F438 L441	L329-W358 HydrophobicContact CD2-CB 4.01Å; L354-W358 PolarHBondContact O-N 2.76Å; L354-W358 VanDerWaalsContact O-N 3.15Å; M355-W358 WeakPolarHBondContact O-CB 3.12Å; M355-W358 PolarHBondContact O-N 3.06Å; M355-W358 VanDerWaalsContact O-N 3.12Å; W358-L360 VanDerWaalsContact C-N 3.33Å; W358-L360 PolarHBondContact O-N 3.36Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.23Å; W358-L361 PolarHBondContact O-N 3.27Å; W358-A362 VanDerWaalsContact O-CB 3.3Å; W358-A362 WeakPolarHBondContact O-CB 3.48Å; W358-A362 PolarHBondContact O-N 3.43Å; W358-N434 PolarHBondContact NE1-OD1 3.39Å; W358-M437 HydrophobicContact CB-CB 4.06Å; W358-M437 HydrophobicContact CB-CG 4.05Å; W358-M437 HydrophobicContact CD2-CB 3.62Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.16Å; W358-M437 HydrophobicContact CG-CB 3.58Å; W358-M437 HydrophobicContact CG-CG 3.85Å; W358-F438 HydrophobicContact CH2-CB 3.91Å; W358-F438 HydrophobicContact CH2-CD2 4.03Å; W358-F438 HydrophobicContact CH2-CG 4.49Å; W358-F438 HydrophobicContact CZ2-CB 4.18Å; W358-L441 HydrophobicContact CD2-CD1 4.28Å; W358-L441 HydrophobicContact CE3-CD1 3.15Å; W358-L441 HydrophobicContact CZ3-CB 4.49Å; W358-L441 HydrophobicContact CZ3-CD1 3.44Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.44Å
359	W	97.9	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-40.8	172.5	-87.2	102.7	0	0	0	112.6	L282 L326 L329 N333 M355 A356 S363 M410 F411 Q415	L282-W359 HydrophobicContact CD1-CH2 3.78Å; L282-W359 HydrophobicContact CD1-CZ2 4.44Å; L282-W359 HydrophobicContact CD2-CH2 4.03Å; L282-W359 HydrophobicContact CG-CH2 4.42Å; L326-W359 HydrophobicContact CD2-CZ3 4.44Å; L329-W359 HydrophobicContact CB-CD2 4.08Å; L329-W359 HydrophobicContact CB-CE3 4.45Å; L329-W359 HydrophobicContact CB-CH2 3.93Å; L329-W359 HydrophobicContact CB-CZ2 3.56Å; L329-W359 HydrophobicContact CB-CZ3 4.37Å; L329-W359 HydrophobicContact CD1-CD2 3.97Å; L329-W359 HydrophobicContact CD1-CE3 4.16Å; L329-W359 HydrophobicContact CD1-CG 4.17Å; L329-W359 HydrophobicContact CD2-CD2 4.42Å; L329-W359 HydrophobicContact CD2-CG 4.21Å; L329-W359 HydrophobicContact CG-CD2 4.4Å; N333-W359 WeakPolarHBondContact ND2-CZ2 3.42Å; M355-W359 VanDerWaalsContact O-CD1 3.27Å; M355-W359 PolarHBondContact O-N 3.49Å; A356-W359 WeakPolarHBondContact O-CB 3.42Å; A356-W359 PolarHBondContact O-N 2.88Å; W359-S363 WeakPolarHBondContact O-CB 3.37Å; W359-S363 PolarHBondContact O-N 3.39Å; W359-S363 PolarHBondContact O-OG 3.19Å; W359-M410 HydrophobicContact CE3-SD 4.39Å; W359-M410 HydrophobicContact CZ3-CG 4.05Å; W359-M410 HydrophobicContact CZ3-SD 3.65Å; W359-F411 HydrophobicContact CB-CD2 3.98Å; W359-F411 HydrophobicContact CB-CE2 4.02Å; W359-Q415 HydrophobicContact CB-CG 3.83Å; W359-Q415 HydrophobicContact CG-CG 4.03Å
360	L	97.6	Very high	95.8	Very high	65 Å²	65	39.9 Å²	39.9	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-51.6	176.7	-176.5	71.2	0	0	0	110.3	A356 F357 W358 A362 S363 L364 F411	A356-L360 WeakPolarHBondContact O-CB 3.49Å; A356-L360 PolarHBondContact O-N 3.36Å; F357-L360 WeakPolarHBondContact O-CB 3.36Å; F357-L360 PolarHBondContact O-N 3.29Å; W358-L360 VanDerWaalsContact C-N 3.33Å; W358-L360 PolarHBondContact O-N 3.36Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 3.41Å; L360-S363 WeakPolarHBondContact CA-OG 3.45Å; L360-S363 PolarHBondContact O-N 3.08Å; L360-S363 PolarHBondContact O-OG 3.01Å; L360-L364 HydrophobicContact CD1-CD1 4.34Å; L360-L364 HydrophobicContact CD1-CG 4.44Å; L360-L364 HydrophobicContact CG-CD1 3.93Å; L360-L364 HydrophobicContact CG-CG 4.4Å; L360-L364 WeakPolarHBondContact O-CB 3.45Å; L360-L364 VanDerWaalsContact O-CG 3.23Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 2.98Å; L360-F411 HydrophobicContact CB-CD2 4.48Å; L360-F411 HydrophobicContact CB-CE2 3.71Å; L360-F411 HydrophobicContact CB-CZ 4.02Å; L360-F411 HydrophobicContact CD1-CE1 3.98Å; L360-F411 HydrophobicContact CD1-CE2 4.06Å; L360-F411 HydrophobicContact CD1-CZ 3.74Å; L360-F411 HydrophobicContact CG-CZ 4.46Å
361	L	97	Very high	95.6	Very high	46 Å²	46	40.3 Å²	40.3	24%	0.241	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-40.5	178.5	-70.7	-179.9	0	0	0	112.6	F357 W358 A365 L441	F357-L361 HydrophobicContact CD1-CD1 4.06Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.14Å; F357-L361 HydrophobicContact CE2-CD1 4.35Å; F357-L361 HydrophobicContact CE2-CG 4.34Å; F357-L361 HydrophobicContact CZ-CD1 3.55Å; F357-L361 HydrophobicContact CZ-CD2 4.35Å; F357-L361 HydrophobicContact CZ-CG 4.01Å; F357-L361 PolarHBondContact O-N 3.21Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.23Å; W358-L361 PolarHBondContact O-N 3.27Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.24Å; L361-L441 HydrophobicContact CB-CD1 3.94Å; L361-L441 HydrophobicContact CB-CD2 3.99Å; L361-L441 HydrophobicContact CD1-CD1 3.89Å
362	A	97.1	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-41.4	177.5	0	0	0	0	0	112.5	L325 L326 L329 W358 L360 A365 N366	L325-A362 HydrophobicContact CD2-CB 3.47Å; L325-A362 VanDerWaalsContact CD2-CB 3.47Å; L325-A362 HydrophobicContact CG-CB 3.9Å; L326-A362 HydrophobicContact CD2-CB 3.77Å; L326-A362 HydrophobicContact CG-CB 4.39Å; L329-A362 HydrophobicContact CD1-CB 3.48Å; L329-A362 VanDerWaalsContact CD1-CB 3.48Å; W358-A362 VanDerWaalsContact O-CB 3.3Å; W358-A362 WeakPolarHBondContact O-CB 3.48Å; W358-A362 PolarHBondContact O-N 3.43Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 3.41Å; A362-A365 PolarHBondContact O-N 3.07Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.83Å
363	S	97.3	Very high	95.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-41.1	177.2	54.7	0	0	0	0	112	W359 L360 A365 N366 L367	W359-S363 WeakPolarHBondContact O-CB 3.37Å; W359-S363 PolarHBondContact O-N 3.39Å; W359-S363 PolarHBondContact O-OG 3.19Å; L360-S363 WeakPolarHBondContact CA-OG 3.45Å; L360-S363 PolarHBondContact O-N 3.08Å; L360-S363 PolarHBondContact O-OG 3.01Å; S363-A365 PolarHBondContact O-N 2.78Å; S363-N366 PolarHBondContact O-N 2.93Å; S363-L367 WeakPolarHBondContact O-CG 3.41Å; S363-L367 PolarHBondContact O-N 3.39Å
364	L	96.5	Very high	95.6	Very high	44 Å²	44	33 Å²	33	23%	0.23	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-40.8	173.1	-70	173.1	0	0	0	112.3	L360 L367 A368 L369	L360-L364 HydrophobicContact CD1-CD1 4.34Å; L360-L364 HydrophobicContact CD1-CG 4.44Å; L360-L364 HydrophobicContact CG-CD1 3.93Å; L360-L364 HydrophobicContact CG-CG 4.4Å; L360-L364 WeakPolarHBondContact O-CB 3.45Å; L360-L364 VanDerWaalsContact O-CG 3.23Å; L360-L364 WeakPolarHBondContact O-CG 3.37Å; L360-L364 PolarHBondContact O-N 2.98Å; L364-L367 HydrophobicContact CD2-CD2 4.38Å; L364-L367 WeakPolarHBondContact O-CG 3.28Å; L364-A368 PolarHBondContact O-N 3.43Å; L364-L369 HydrophobicContact CB-CB 4.31Å; L364-L369 HydrophobicContact CB-CD2 4.43Å; L364-L369 HydrophobicContact CD1-CD2 4.44Å; L364-L369 HydrophobicContact CD2-CD1 4.14Å; L364-L369 HydrophobicContact CD2-CD2 4.27Å; L364-L369 WeakPolarHBondContact O-CB 3.46Å; L364-L369 PolarHBondContact O-N 3.14Å
365	A	95.6	Very high	95.6	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-42.6	173.6	0	0	0	0	0	110.9	T322 L361 A362 S363 L367 A368 N374	T322-A365 HydrophobicContact CG2-CB 3.52Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.24Å; A362-A365 PolarHBondContact O-N 3.07Å; S363-A365 PolarHBondContact O-N 2.78Å; A365-L367 VanDerWaalsContact C-N 3.34Å; A365-L367 PolarHBondContact O-N 3.2Å; A365-A368 WeakPolarHBondContact O-CA 3.29Å; A365-A368 PolarHBondContact O-N 3.13Å; A365-N374 WeakPolarHBondContact O-CB 3.48Å; A365-N374 VanDerWaalsContact O-CG 3.31Å; A365-N374 PolarHBondContact O-ND2 3.48Å
366	N	96.8	Very high	95.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-31.1	-179.6	-167.3	25.2	0	0	0	114.3	H293 L326 A362 S363	H293-N366 PolarHBondContact NE2-O 2.95Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; L326-N366 HydrophobicContact CD1-CB 4.09Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.83Å; S363-N366 PolarHBondContact O-N 2.93Å
367	L	95.3	Very high	95.3	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.147	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	6.2	171.9	65.4	83.7	0	0	0	114	S363 L364 A365 L369 S407 L408	S363-L367 WeakPolarHBondContact O-CG 3.41Å; S363-L367 PolarHBondContact O-N 3.39Å; L364-L367 HydrophobicContact CD2-CD2 4.38Å; L364-L367 WeakPolarHBondContact O-CG 3.28Å; A365-L367 VanDerWaalsContact C-N 3.34Å; A365-L367 PolarHBondContact O-N 3.2Å; L367-L369 HydrophobicContact CD1-CB 3.98Å; L367-L369 HydrophobicContact CD1-CD1 4.21Å; L367-S407 WeakPolarHBondContact CB-OG 3.32Å; L367-L408 HydrophobicContact CD2-CD2 4.19Å; L367-L408 HydrophobicContact CD2-CG 4.2Å
368	A	95.1	Very high	95.3	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.033	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	55.5	-180	0	0	0	0	0	113.8	L364 A365 N374 L375 E378 M400	L364-A368 PolarHBondContact O-N 3.43Å; A365-A368 WeakPolarHBondContact O-CA 3.29Å; A365-A368 PolarHBondContact O-N 3.13Å; A368-N374 HydrophobicContact CB-CB 4Å; A368-L375 HydrophobicContact CB-CB 4.07Å; A368-L375 HydrophobicContact CB-CD1 4.28Å; A368-L375 WeakPolarHBondContact O-CB 3.47Å; A368-L375 VanDerWaalsContact O-CD1 3.3Å; A368-L375 WeakPolarHBondContact O-CD1 3.3Å; A368-E378 WeakPolarHBondContact CB-OE2 3.47Å; A368-M400 HydrophobicContact CB-CE 4.4Å
369	L	93.6	Very high	95.2	Very high	69 Å²	69	32.8 Å²	32.8	36%	0.361	19%	0.185	S	C	.	.			trans	-66	137.4	174.1	-168.3	88.2	0	0	0	111.1	L364 L367 T372	L364-L369 HydrophobicContact CB-CB 4.31Å; L364-L369 HydrophobicContact CB-CD2 4.43Å; L364-L369 HydrophobicContact CD1-CD2 4.44Å; L364-L369 HydrophobicContact CD2-CD1 4.14Å; L364-L369 HydrophobicContact CD2-CD2 4.27Å; L364-L369 WeakPolarHBondContact O-CB 3.46Å; L364-L369 PolarHBondContact O-N 3.14Å; L367-L369 HydrophobicContact CD1-CB 3.98Å; L367-L369 HydrophobicContact CD1-CD1 4.21Å; L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.38Å; L369-T372 VanDerWaalsContact O-CG2 3.3Å; L369-T372 WeakPolarHBondContact O-CG2 3.34Å; L369-T372 PolarHBondContact O-N 2.68Å; L369-T372 PolarHBondContact O-OG1 2.9Å
370	P	89.6	Confident	95	Very high	85 Å²	85	33.2 Å²	33.2	55%	0.552	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	139.4	167.2	24.2	-32.2	0	0	0	110.9	L375	P370-L375 HydrophobicContact CB-CD2 3.58Å; P370-L375 HydrophobicContact CG-CD2 4.24Å
371	P	88.9	Confident	95	Very high	109 Å²	109	30.1 Å²	30.1	71%	0.708	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	cis	-99.1	32.7	4	39.3	-36.4	0	0	0	114.3	S448	P371-S448 WeakPolarHBondContact O-CB 3.17Å
372	T	93.8	Very high	94.9	Very high	22 Å²	22	29.5 Å²	29.5	14%	0.135	17%	0.169	C	C	.	.	S	Bend	trans	-67.2	152.3	-175.2	65.7	0	0	0	0	113.2	L369 N374 L375 L376	L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.38Å; L369-T372 VanDerWaalsContact O-CG2 3.3Å; L369-T372 WeakPolarHBondContact O-CG2 3.34Å; L369-T372 PolarHBondContact O-N 2.68Å; L369-T372 PolarHBondContact O-OG1 2.9Å; T372-N374 PolarHBondContact O-N 3.44Å; T372-L375 WeakPolarHBondContact O-CB 3Å; T372-L375 PolarHBondContact O-N 3.19Å; T372-L375 VanDerWaalsContact O-N 3.09Å; T372-L376 PolarHBondContact O-N 3.05Å
373	I	94.8	Very high	94.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-24.2	174.9	49.1	163.6	0	0	0	113.6	I314 A318 L375 L376 G377 I444 L447 I454	I314-I373 HydrophobicContact CG2-CB 4.42Å; I314-I373 VanDerWaalsContact CG2-O 3.23Å; I314-I373 WeakPolarHBondContact CG2-O 3.32Å; A318-I373 HydrophobicContact CB-CB 4.08Å; A318-I373 HydrophobicContact CB-CD1 3.58Å; A318-I373 HydrophobicContact CB-CG1 3.65Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.32Å; I373-L376 PolarHBondContact O-N 3.16Å; I373-G377 PolarHBondContact O-N 3.32Å; I373-G377 VanDerWaalsContact O-N 3.1Å; I373-I444 HydrophobicContact CD1-CG2 4.49Å; I373-I444 HydrophobicContact CG1-CG2 4.13Å; I373-L447 HydrophobicContact CD1-CB 4.11Å; I373-L447 HydrophobicContact CD1-CD1 4.02Å; I373-L447 HydrophobicContact CG2-CB 3.96Å; I373-I454 HydrophobicContact CB-CD1 4.23Å; I373-I454 HydrophobicContact CD1-CD1 4.37Å; I373-I454 HydrophobicContact CG2-CD1 3.85Å
374	N	95.5	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-46.2	172.5	-82.5	28.9	0	0	0	110.2	A318 T322 A365 A368 T372 G377 E378	A318-N374 WeakPolarHBondContact CA-OD1 3.42Å; A318-N374 HydrophobicContact CB-CB 4.48Å; A318-N374 WeakPolarHBondContact CB-OD1 3.28Å; A318-N374 PolarHBondContact O-OD1 3.33Å; T322-N374 PolarHBondContact OG1-ND2 3.43Å; A365-N374 WeakPolarHBondContact O-CB 3.48Å; A365-N374 VanDerWaalsContact O-CG 3.31Å; A365-N374 PolarHBondContact O-ND2 3.48Å; A368-N374 HydrophobicContact CB-CB 4Å; T372-N374 PolarHBondContact O-N 3.44Å; N374-G377 PolarHBondContact O-N 3.27Å; N374-E378 WeakPolarHBondContact O-CG 3.29Å; N374-E378 PolarHBondContact O-N 3.1Å
375	L	95.4	Very high	94.8	Very high	42 Å²	42	31 Å²	31	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-42.3	177.1	-175.2	71.9	0	0	0	112	A368 P370 T372 I373 G377 E378 L379	A368-L375 HydrophobicContact CB-CB 4.07Å; A368-L375 HydrophobicContact CB-CD1 4.28Å; A368-L375 WeakPolarHBondContact O-CB 3.47Å; A368-L375 VanDerWaalsContact O-CD1 3.3Å; A368-L375 WeakPolarHBondContact O-CD1 3.3Å; P370-L375 HydrophobicContact CB-CD2 3.58Å; P370-L375 HydrophobicContact CG-CD2 4.24Å; T372-L375 WeakPolarHBondContact O-CB 3Å; T372-L375 PolarHBondContact O-N 3.19Å; T372-L375 VanDerWaalsContact O-N 3.09Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.32Å; L375-G377 VanDerWaalsContact C-N 3.26Å; L375-G377 PolarHBondContact O-N 2.95Å; L375-E378 PolarHBondContact O-N 3.07Å; L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 PolarHBondContact O-N 3.21Å
376	L	94.4	Very high	94.8	Very high	75 Å²	75	35 Å²	35	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-57	-43.4	178.9	-170.6	81.7	0	0	0	111.1	I314 T372 I373 S380 P451	I314-L376 HydrophobicContact CD1-CD2 3.64Å; I314-L376 HydrophobicContact CD1-CG 4.12Å; I314-L376 HydrophobicContact CG1-CD2 4.35Å; I314-L376 HydrophobicContact CG2-CB 4.17Å; I314-L376 HydrophobicContact CG2-CD2 4.07Å; I314-L376 HydrophobicContact CG2-CG 4.42Å; T372-L376 PolarHBondContact O-N 3.05Å; I373-L376 PolarHBondContact O-N 3.16Å; L376-S380 WeakPolarHBondContact O-CB 3.41Å; L376-S380 PolarHBondContact O-N 3.25Å; L376-S380 PolarHBondContact O-OG 3.4Å; L376-P451 HydrophobicContact CD2-CB 3.5Å; L376-P451 VanDerWaalsContact CD2-CB 3.5Å; L376-P451 HydrophobicContact CD2-CG 4.26Å
377	G	94.9	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-48.2	175.4	0	0	0	0	0	113	I373 N374 L375 L379 S380 V381	I373-G377 PolarHBondContact O-N 3.32Å; I373-G377 VanDerWaalsContact O-N 3.1Å; N374-G377 PolarHBondContact O-N 3.27Å; L375-G377 VanDerWaalsContact C-N 3.26Å; L375-G377 PolarHBondContact O-N 2.95Å; G377-L379 PolarHBondContact O-N 2.86Å; G377-S380 PolarHBondContact O-OG 2.94Å; G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 3.46Å; G377-V381 VanDerWaalsContact O-N 3.15Å
378	E	95.8	Very high	94.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-40.3	-179.4	-71	178.5	-170.7	0	0	112.4	H293 L296 L315 A368 N374 L375 V381 L382 M400	H293-E378 IonicContact CE1-OE1 2.69Å; H293-E378 PolarHBondContact CE1-OE1 3.37Å; H293-E378 IonicContact ND1-OE1 2.69Å; H293-E378 PolarHBondContact ND1-OE1 2.8Å; L296-E378 HydrophobicContact CD1-CG 4.34Å; L315-E378 HydrophobicContact CD1-CG 3.61Å; A368-E378 WeakPolarHBondContact CB-OE2 3.47Å; N374-E378 WeakPolarHBondContact O-CG 3.29Å; N374-E378 PolarHBondContact O-N 3.1Å; L375-E378 PolarHBondContact O-N 3.07Å; E378-V381 PolarHBondContact O-N 3.49Å; E378-L382 WeakPolarHBondContact O-CB 3.33Å; E378-L382 WeakPolarHBondContact O-CG 3.34Å; E378-L382 PolarHBondContact O-N 3.16Å; E378-M400 HydrophobicContact CB-SD 4.4Å; E378-M400 WeakPolarHBondContact OE2-CE 3.31Å
379	L	95.4	Very high	94.9	Very high	91 Å²	91	43.6 Å²	43.6	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-41	180	-171.3	147.7	0	0	0	111.9	L375 G377 L382 V383	L375-L379 WeakPolarHBondContact O-CB 3.27Å; L375-L379 PolarHBondContact O-N 3.21Å; G377-L379 PolarHBondContact O-N 2.86Å; L379-L382 WeakPolarHBondContact O-CB 3.43Å; L379-L382 PolarHBondContact O-N 2.69Å; L379-V383 HydrophobicContact CD2-CG2 4.04Å; L379-V383 WeakPolarHBondContact O-CG2 3.09Å; L379-V383 PolarHBondContact O-N 3.21Å
380	S	94.9	Very high	95	Very high	8 Å²	8	46 Å²	46	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-37.4	175.6	45.3	0	0	0	0	112.2	G311 L376 G377 T384	G311-S380 WeakPolarHBondContact CA-OG 3.36Å; L376-S380 WeakPolarHBondContact O-CB 3.41Å; L376-S380 PolarHBondContact O-N 3.25Å; L376-S380 PolarHBondContact O-OG 3.4Å; G377-S380 PolarHBondContact O-OG 2.94Å; S380-T384 WeakPolarHBondContact O-CG2 3.43Å; S380-T384 PolarHBondContact O-N 3.19Å; S380-T384 VanDerWaalsContact O-N 3.16Å; S380-T384 PolarHBondContact O-OG1 3.21Å
381	V	96.3	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-39.7	170.9	176.8	0	0	0	0	111.6	L296 A300 G377 E378 T384 T385	L296-V381 HydrophobicContact CB-CG1 4.33Å; L296-V381 HydrophobicContact CD2-CG1 3.99Å; A300-V381 HydrophobicContact CB-CB 4.41Å; A300-V381 HydrophobicContact CB-CG1 3.99Å; A300-V381 HydrophobicContact CB-CG2 3.64Å; G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 3.46Å; G377-V381 VanDerWaalsContact O-N 3.15Å; E378-V381 PolarHBondContact O-N 3.49Å; V381-T384 WeakPolarHBondContact CA-OG1 3.34Å; V381-T384 PolarHBondContact O-N 3.37Å; V381-T384 PolarHBondContact O-OG1 2.89Å; V381-T384 VanDerWaalsContact O-OG1 3.07Å; V381-T385 HydrophobicContact CG1-CG2 4.13Å; V381-T385 WeakPolarHBondContact O-CB 3.33Å; V381-T385 VanDerWaalsContact O-CG2 3.27Å; V381-T385 WeakPolarHBondContact O-CG2 3.14Å; V381-T385 PolarHBondContact O-N 3.37Å; V381-T385 PolarHBondContact O-OG1 2.73Å
382	L	96.1	Very high	95.6	Very high	33 Å²	33	43.4 Å²	43.4	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-48.1	175	-89.8	157.7	0	0	0	112.4	E378 L379 T384 T385 F386 L393 T396 M400	E378-L382 WeakPolarHBondContact O-CB 3.33Å; E378-L382 WeakPolarHBondContact O-CG 3.34Å; E378-L382 PolarHBondContact O-N 3.16Å; L379-L382 WeakPolarHBondContact O-CB 3.43Å; L379-L382 PolarHBondContact O-N 2.69Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 3.04Å; L382-T385 WeakPolarHBondContact CA-OG1 3.36Å; L382-T385 PolarHBondContact O-OG1 3.38Å; L382-F386 VanDerWaalsContact O-CB 3.29Å; L382-F386 WeakPolarHBondContact O-CB 3.41Å; L382-F386 PolarHBondContact O-N 3.43Å; L382-L393 HydrophobicContact CD2-CD1 4.36Å; L382-T396 VanDerWaalsContact CD2-CB 3.4Å; L382-T396 HydrophobicContact CD2-CG2 4.43Å; L382-T396 WeakPolarHBondContact CD2-OG1 3.29Å; L382-M400 HydrophobicContact CD1-CG 4.11Å; L382-M400 HydrophobicContact CD1-SD 4.35Å
383	V	96.1	Very high	95.7	Very high	73 Å²	73	46.4 Å²	46.4	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-39.6	179.6	171.2	0	0	0	0	111.2	L379 S387	L379-V383 HydrophobicContact CD2-CG2 4.04Å; L379-V383 WeakPolarHBondContact O-CG2 3.09Å; L379-V383 PolarHBondContact O-N 3.21Å; V383-S387 PolarHBondContact O-N 3.49Å
384	T	95.9	Very high	95.7	Very high	4 Å²	4	52 Å²	52	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-79.2	-33	-177.7	51	0	0	0	0	113.8	T305 W307 S308 S380 V381 L382 S387 W388	T305-T384 WeakPolarHBondContact OG1-CG2 3.41Å; W307-T384 HydrophobicContact CB-CG2 3.31Å; W307-T384 HydrophobicContact CG-CG2 4.49Å; S308-T384 WeakPolarHBondContact CB-OG1 3.19Å; S380-T384 WeakPolarHBondContact O-CG2 3.43Å; S380-T384 PolarHBondContact O-N 3.19Å; S380-T384 VanDerWaalsContact O-N 3.16Å; S380-T384 PolarHBondContact O-OG1 3.21Å; V381-T384 WeakPolarHBondContact CA-OG1 3.34Å; V381-T384 PolarHBondContact O-N 3.37Å; V381-T384 PolarHBondContact O-OG1 2.89Å; V381-T384 VanDerWaalsContact O-OG1 3.07Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 3.04Å; T384-S387 WeakPolarHBondContact CA-OG 3.34Å; T384-S387 PolarHBondContact O-OG 2.84Å; T384-W388 WeakPolarHBondContact O-CB 3.48Å; T384-W388 PolarHBondContact O-N 3.08Å
385	T	96.3	Very high	95.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-42	169.3	52	0	0	0	0	110.4	I303 V381 L382 S387 W388 S389 T392	I303-T385 HydrophobicContact CD1-CG2 3.6Å; V381-T385 HydrophobicContact CG1-CG2 4.13Å; V381-T385 WeakPolarHBondContact O-CB 3.33Å; V381-T385 VanDerWaalsContact O-CG2 3.27Å; V381-T385 WeakPolarHBondContact O-CG2 3.14Å; V381-T385 PolarHBondContact O-N 3.37Å; V381-T385 PolarHBondContact O-OG1 2.73Å; L382-T385 WeakPolarHBondContact CA-OG1 3.36Å; L382-T385 PolarHBondContact O-OG1 3.38Å; T385-S387 PolarHBondContact O-N 3.4Å; T385-W388 WeakPolarHBondContact O-CB 3.36Å; T385-W388 PolarHBondContact O-N 3.22Å; T385-W388 VanDerWaalsContact O-N 3.14Å; T385-S389 PolarHBondContact O-N 3.03Å; T385-T392 PolarHBondContact O-OG1 3.39Å
386	F	96.8	Very high	95.7	Very high	86 Å²	86	52.2 Å²	52.2	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-43.6	174.5	178.3	-112.9	0	0	0	112.5	L382 W388 S389 N390 L393	L382-F386 VanDerWaalsContact O-CB 3.29Å; L382-F386 WeakPolarHBondContact O-CB 3.41Å; L382-F386 PolarHBondContact O-N 3.43Å; F386-W388 VanDerWaalsContact C-N 3.29Å; F386-W388 PolarHBondContact O-N 3Å; F386-S389 CarbonylContact O-C 3.16Å; F386-S389 PolarHBondContact O-N 3.14Å; F386-N390 HydrophobicContact CD2-CB 4.47Å; F386-N390 HydrophobicContact CE2-CB 4.01Å; F386-N390 PolarHBondContact O-OD1 3.17Å; F386-L393 HydrophobicContact CD2-CB 3.89Å; F386-L393 HydrophobicContact CD2-CD2 4.09Å; F386-L393 HydrophobicContact CD2-CG 4.45Å; F386-L393 HydrophobicContact CE2-CD2 4.1Å
387	S	96.6	Very high	95.8	Very high	85 Å²	85	50.2 Å²	50.2	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-67.7	-29.2	175.7	71	0	0	0	0	113.1	V383 T384 T385	V383-S387 PolarHBondContact O-N 3.49Å; T384-S387 WeakPolarHBondContact CA-OG 3.34Å; T384-S387 PolarHBondContact O-OG 2.84Å; T385-S387 PolarHBondContact O-N 3.4Å
388	W	95.8	Very high	95.8	Very high	94 Å²	94	54 Å²	54	36%	0.356	30%	0.295	S	S	.	.	H	α-helix	trans	-69.4	-45.2	172.7	-178.7	83.3	0	0	0	112.1	Y259 L262 I303 T384 T385 F386 T392	Y259-W388 HydrophobicContact CD1-CH2 4.18Å; Y259-W388 AromaticContact CD1-CZ2 3.98Å; Y259-W388 HydrophobicContact CD1-CZ2 3.98Å; Y259-W388 AromaticContact CE1-CH2 3.99Å; Y259-W388 HydrophobicContact CE1-CH2 3.99Å; Y259-W388 AromaticContact CE1-CZ2 3.54Å; Y259-W388 HydrophobicContact CE1-CZ2 3.54Å; L262-W388 HydrophobicContact CD1-CH2 4.2Å; L262-W388 HydrophobicContact CD1-CZ2 3.74Å; I303-W388 HydrophobicContact CD1-CB 3.99Å; I303-W388 HydrophobicContact CD1-CD2 4.49Å; I303-W388 HydrophobicContact CD1-CG 4.09Å; I303-W388 HydrophobicContact CG1-CB 4.27Å; I303-W388 HydrophobicContact CG1-CD2 4.42Å; I303-W388 HydrophobicContact CG1-CG 3.97Å; I303-W388 HydrophobicContact CG2-CB 4.16Å; I303-W388 HydrophobicContact CG2-CG 4.35Å; T384-W388 WeakPolarHBondContact O-CB 3.48Å; T384-W388 PolarHBondContact O-N 3.08Å; T385-W388 WeakPolarHBondContact O-CB 3.36Å; T385-W388 PolarHBondContact O-N 3.22Å; T385-W388 VanDerWaalsContact O-N 3.14Å; F386-W388 VanDerWaalsContact C-N 3.29Å; F386-W388 PolarHBondContact O-N 3Å; W388-T392 HydrophobicContact CE3-CG2 4.09Å; W388-T392 HydrophobicContact CZ3-CG2 4.05Å
389	S	96	Very high	95.9	Very high	35 Å²	35	53.9 Å²	53.9	25%	0.245	30%	0.295	C	S	.	.			trans	-157.3	135.1	169.3	76.4	0	0	0	0	112	T385 F386 I391 T392	T385-S389 PolarHBondContact O-N 3.03Å; F386-S389 CarbonylContact O-C 3.16Å; F386-S389 PolarHBondContact O-N 3.14Å; S389-I391 PolarHBondContact O-N 3.34Å; S389-I391 VanDerWaalsContact O-N 3.1Å; S389-T392 PolarHBondContact O-N 2.76Å; S389-T392 PolarHBondContact O-OG1 2.91Å; S389-T392 VanDerWaalsContact OG-CG2 3.23Å; S389-T392 WeakPolarHBondContact OG-CG2 3.29Å
390	N	95.6	Very high	95.9	Very high	118 Å²	118	51.7 Å²	51.7	63%	0.631	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.4	-177	-65.7	-7.5	0	0	0	113.7	F386 T392 L393	F386-N390 HydrophobicContact CD2-CB 4.47Å; F386-N390 HydrophobicContact CE2-CB 4.01Å; F386-N390 PolarHBondContact O-OD1 3.17Å; N390-T392 VanDerWaalsContact C-N 3.3Å; N390-T392 PolarHBondContact O-N 3.26Å; N390-L393 WeakPolarHBondContact O-CB 3.25Å; N390-L393 PolarHBondContact O-N 2.6Å
391	I	95.6	Very high	96	Very high	135 Å²	135	56.2 Å²	56.2	69%	0.692	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.9	-177.4	-64.1	169	0	0	0	111.7	S389 L393 L394	S389-I391 PolarHBondContact O-N 3.34Å; S389-I391 VanDerWaalsContact O-N 3.1Å; I391-L393 PolarHBondContact O-N 3.14Å; I391-L393 VanDerWaalsContact O-N 3.15Å; I391-L394 WeakPolarHBondContact O-CB 3.31Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-L394 VanDerWaalsContact O-N 3.09Å
392	T	95.8	Very high	96	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-21.8	-177.4	50	0	0	0	0	112.9	L266 T385 W388 S389 N390 L394 L395 T396	L266-T392 HydrophobicContact CD1-CG2 3.66Å; L266-T392 HydrophobicContact CD2-CG2 4.33Å; T385-T392 PolarHBondContact O-OG1 3.39Å; W388-T392 HydrophobicContact CE3-CG2 4.09Å; W388-T392 HydrophobicContact CZ3-CG2 4.05Å; S389-T392 PolarHBondContact O-N 2.76Å; S389-T392 PolarHBondContact O-OG1 2.91Å; S389-T392 VanDerWaalsContact OG-CG2 3.23Å; S389-T392 WeakPolarHBondContact OG-CG2 3.29Å; N390-T392 VanDerWaalsContact C-N 3.3Å; N390-T392 PolarHBondContact O-N 3.26Å; T392-L394 PolarHBondContact O-N 3.49Å; T392-L395 PolarHBondContact O-N 3.22Å; T392-L395 VanDerWaalsContact O-N 3.08Å; T392-T396 PolarHBondContact O-N 2.9Å; T392-T396 PolarHBondContact O-OG1 3.35Å
393	L	95.3	Very high	96.1	Very high	85 Å²	85	55.6 Å²	55.6	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-57.4	-35.1	174.2	-176.2	66.1	0	0	0	112.3	L382 F386 N390 I391 T396 G397	L382-L393 HydrophobicContact CD2-CD1 4.36Å; F386-L393 HydrophobicContact CD2-CB 3.89Å; F386-L393 HydrophobicContact CD2-CD2 4.09Å; F386-L393 HydrophobicContact CD2-CG 4.45Å; F386-L393 HydrophobicContact CE2-CD2 4.1Å; N390-L393 WeakPolarHBondContact O-CB 3.25Å; N390-L393 PolarHBondContact O-N 2.6Å; I391-L393 PolarHBondContact O-N 3.14Å; I391-L393 VanDerWaalsContact O-N 3.15Å; L393-T396 WeakPolarHBondContact CA-OG1 3.13Å; L393-T396 PolarHBondContact O-OG1 2.68Å; L393-G397 WeakPolarHBondContact O-CA 3.38Å; L393-G397 PolarHBondContact O-N 3.19Å
394	L	96.1	Very high	96.2	Very high	120 Å²	120	53.6 Å²	53.6	63%	0.628	29%	0.294	S	S	*	.	H	α-helix	trans	-64.6	-46.3	175.7	-178.7	67.4	0	0	0	110.8	I391 T392 L398	I391-L394 WeakPolarHBondContact O-CB 3.31Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-L394 VanDerWaalsContact O-N 3.09Å; T392-L394 PolarHBondContact O-N 3.49Å; L394-L398 HydrophobicContact CD1-CD1 4.3Å; L394-L398 HydrophobicContact CG-CD1 4.12Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.2Å; L394-L398 WeakPolarHBondContact O-CD1 3.3Å; L394-L398 WeakPolarHBondContact O-CG 3.43Å; L394-L398 PolarHBondContact O-N 3.29Å
395	L	96.2	Very high	96.3	Very high	44 Å²	44	57.8 Å²	57.8	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-46.4	-177.1	-64.4	173.2	0	0	0	111.7	L266 I270 T392 L398 N399	L266-L395 HydrophobicContact CB-CD1 4.08Å; L266-L395 HydrophobicContact CD1-CD1 4.47Å; I270-L395 HydrophobicContact CD1-CB 4.06Å; I270-L395 HydrophobicContact CD1-CD2 3.55Å; I270-L395 HydrophobicContact CD1-CG 4.42Å; T392-L395 PolarHBondContact O-N 3.22Å; T392-L395 VanDerWaalsContact O-N 3.08Å; L395-L398 PolarHBondContact O-N 3.42Å; L395-N399 PolarHBondContact O-N 2.97Å
396	T	94.9	Very high	96.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-36.4	179.5	53.3	0	0	0	0	111.4	L266 M269 L296 L382 T392 L393 N399 M400	L266-T396 HydrophobicContact CD2-CG2 4.12Å; M269-T396 HydrophobicContact SD-CG2 4.33Å; L296-T396 HydrophobicContact CD2-CG2 4.39Å; L382-T396 VanDerWaalsContact CD2-CB 3.4Å; L382-T396 HydrophobicContact CD2-CG2 4.43Å; L382-T396 WeakPolarHBondContact CD2-OG1 3.29Å; T392-T396 PolarHBondContact O-N 2.9Å; T392-T396 PolarHBondContact O-OG1 3.35Å; L393-T396 WeakPolarHBondContact CA-OG1 3.13Å; L393-T396 PolarHBondContact O-OG1 2.68Å; T396-N399 WeakPolarHBondContact O-CB 3.46Å; T396-N399 PolarHBondContact O-N 3.39Å; T396-M400 WeakPolarHBondContact O-CG 3.43Å; T396-M400 PolarHBondContact O-N 3.18Å
397	G	95	Very high	96.3	Very high	34 Å²	34	53.6 Å²	53.6	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-41.4	172.1	0	0	0	0	0	113.2	L393 N399 M400 L401	L393-G397 WeakPolarHBondContact O-CA 3.38Å; L393-G397 PolarHBondContact O-N 3.19Å; G397-N399 VanDerWaalsContact C-N 3.34Å; G397-M400 PolarHBondContact O-N 3.42Å; G397-L401 PolarHBondContact O-N 3.12Å; G397-L401 VanDerWaalsContact O-N 3.11Å
398	L	96.4	Very high	96.3	Very high	78 Å²	78	53.5 Å²	53.5	41%	0.408	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-42	171.3	-78.6	167.3	0	0	0	111.6	L394 L395 M400 L401 V402	L394-L398 HydrophobicContact CD1-CD1 4.3Å; L394-L398 HydrophobicContact CG-CD1 4.12Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.2Å; L394-L398 WeakPolarHBondContact O-CD1 3.3Å; L394-L398 WeakPolarHBondContact O-CG 3.43Å; L394-L398 PolarHBondContact O-N 3.29Å; L395-L398 PolarHBondContact O-N 3.42Å; L398-M400 PolarHBondContact O-N 2.82Å; L398-L401 PolarHBondContact O-N 3.46Å; L398-V402 WeakPolarHBondContact O-CG2 3.29Å; L398-V402 PolarHBondContact O-N 3.14Å
399	N	96.7	Very high	96.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-47.2	175.8	-175.5	45.3	0	0	0	111.3	M269 I270 S273 L395 T396 G397 L401 V402 T403	M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 2.82Å; M269-N399 HydrophobicContact SD-CB 4.05Å; I270-N399 HydrophobicContact CG1-CB 4.44Å; S273-N399 PolarHBondContact OG-OD1 2.99Å; L395-N399 PolarHBondContact O-N 2.97Å; T396-N399 WeakPolarHBondContact O-CB 3.46Å; T396-N399 PolarHBondContact O-N 3.39Å; G397-N399 VanDerWaalsContact C-N 3.34Å; N399-L401 VanDerWaalsContact C-N 3.26Å; N399-L401 PolarHBondContact O-N 3.06Å; N399-V402 PolarHBondContact O-N 3.09Å; N399-V402 VanDerWaalsContact O-N 3.12Å; N399-T403 WeakPolarHBondContact O-CG2 3.11Å; N399-T403 PolarHBondContact O-N 2.86Å; N399-T403 PolarHBondContact O-OG1 2.75Å
400	M	95.3	Very high	96.4	Very high	44 Å²	44	51.1 Å²	51.1	22%	0.217	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-38	176.1	-68.1	-60.8	-69.5	0	0	113.1	A368 E378 L382 T396 G397 L398 T403 A404	A368-M400 HydrophobicContact CB-CE 4.4Å; E378-M400 HydrophobicContact CB-SD 4.4Å; E378-M400 WeakPolarHBondContact OE2-CE 3.31Å; L382-M400 HydrophobicContact CD1-CG 4.11Å; L382-M400 HydrophobicContact CD1-SD 4.35Å; T396-M400 WeakPolarHBondContact O-CG 3.43Å; T396-M400 PolarHBondContact O-N 3.18Å; G397-M400 PolarHBondContact O-N 3.42Å; L398-M400 PolarHBondContact O-N 2.82Å; M400-T403 VanDerWaalsContact CA-OG1 3.31Å; M400-T403 WeakPolarHBondContact CA-OG1 3.32Å; M400-T403 PolarHBondContact O-OG1 3.35Å; M400-A404 PolarHBondContact O-N 3.04Å; M400-A404 VanDerWaalsContact O-N 3.13Å
401	L	96.7	Very high	96.5	Very high	104 Å²	104	45.9 Å²	45.9	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-46.4	175.8	-178.9	137.4	0	0	0	111.1	G397 L398 N399 T403 A404 L405	G397-L401 PolarHBondContact O-N 3.12Å; G397-L401 VanDerWaalsContact O-N 3.11Å; L398-L401 PolarHBondContact O-N 3.46Å; N399-L401 VanDerWaalsContact C-N 3.26Å; N399-L401 PolarHBondContact O-N 3.06Å; L401-T403 VanDerWaalsContact C-N 3.33Å; L401-T403 PolarHBondContact O-N 2.92Å; L401-A404 PolarHBondContact O-N 3.11Å; L401-L405 HydrophobicContact CD2-CD1 3.75Å; L401-L405 HydrophobicContact CD2-CG 4.48Å; L401-L405 WeakPolarHBondContact O-CG 2.84Å; L401-L405 PolarHBondContact O-N 3.19Å
402	V	97.8	Very high	96.6	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-33.6	179.2	-176.6	0	0	0	0	111.4	S273 L277 L398 N399 L405 Y406	S273-V402 VanDerWaalsContact C-CG1 3.45Å; S273-V402 WeakPolarHBondContact O-CG1 3.39Å; S273-V402 WeakPolarHBondContact OG-CG1 3.5Å; L277-V402 HydrophobicContact CD1-CG1 4.01Å; L277-V402 HydrophobicContact CG-CG1 4.38Å; L398-V402 WeakPolarHBondContact O-CG2 3.29Å; L398-V402 PolarHBondContact O-N 3.14Å; N399-V402 PolarHBondContact O-N 3.09Å; N399-V402 VanDerWaalsContact O-N 3.12Å; V402-L405 PolarHBondContact O-N 3.4Å; V402-Y406 HydrophobicContact CG1-CD1 4.48Å; V402-Y406 WeakPolarHBondContact O-CD1 3.41Å; V402-Y406 PolarHBondContact O-N 3.47Å
403	T	97.6	Very high	96.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-41.3	175	61.8	0	0	0	0	112.4	N399 M400 L401 Y406 S407	N399-T403 WeakPolarHBondContact O-CG2 3.11Å; N399-T403 PolarHBondContact O-N 2.86Å; N399-T403 PolarHBondContact O-OG1 2.75Å; M400-T403 VanDerWaalsContact CA-OG1 3.31Å; M400-T403 WeakPolarHBondContact CA-OG1 3.32Å; M400-T403 PolarHBondContact O-OG1 3.35Å; L401-T403 VanDerWaalsContact C-N 3.33Å; L401-T403 PolarHBondContact O-N 2.92Å; T403-Y406 HydrophobicContact CG2-CE1 3.73Å; T403-S407 VanDerWaalsContact O-CB 3.27Å; T403-S407 WeakPolarHBondContact O-CB 3.43Å; T403-S407 PolarHBondContact O-N 3.2Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 3.21Å
404	A	97.4	Very high	96.6	Very high	32 Å²	32	38.4 Å²	38.4	26%	0.264	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-42.8	171.1	0	0	0	0	0	111.8	M400 L401 S407 L408	M400-A404 PolarHBondContact O-N 3.04Å; M400-A404 VanDerWaalsContact O-N 3.13Å; L401-A404 PolarHBondContact O-N 3.11Å; A404-S407 WeakPolarHBondContact CA-OG 3.49Å; A404-S407 PolarHBondContact O-OG 3.17Å; A404-L408 WeakPolarHBondContact O-CB 3.41Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; A404-L408 PolarHBondContact O-N 3.23Å; A404-L408 VanDerWaalsContact O-N 3.12Å
405	L	97.8	Very high	96.6	Very high	91 Å²	91	32.8 Å²	32.8	48%	0.476	18%	0.182	S	C	.	.	H	α-helix	trans	-63	-50.1	179.4	-69.6	174.4	0	0	0	112.5	L277 L401 V402 S407 Y409	L277-L405 HydrophobicContact CD2-CB 3.8Å; L401-L405 HydrophobicContact CD2-CD1 3.75Å; L401-L405 HydrophobicContact CD2-CG 4.48Å; L401-L405 WeakPolarHBondContact O-CG 2.84Å; L401-L405 PolarHBondContact O-N 3.19Å; V402-L405 PolarHBondContact O-N 3.4Å; L405-S407 PolarHBondContact O-N 3.36Å; L405-Y409 WeakPolarHBondContact O-CB 3.47Å; L405-Y409 PolarHBondContact O-N 3.2Å
406	Y	97.5	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.3	-30.8	-176.7	74.5	-117.1	0	0	0	112.7	C276 L285 V402 T403 Y409 M410	C276-Y406 HydrophobicContact CB-CD1 3.71Å; C276-Y406 HydrophobicContact CB-CD2 4.14Å; C276-Y406 HydrophobicContact CB-CE1 4.38Å; C276-Y406 HydrophobicContact CB-CG 3.59Å; L285-Y406 HydrophobicContact CD2-CD2 4.25Å; V402-Y406 HydrophobicContact CG1-CD1 4.48Å; V402-Y406 WeakPolarHBondContact O-CD1 3.41Å; V402-Y406 PolarHBondContact O-N 3.47Å; T403-Y406 HydrophobicContact CG2-CE1 3.73Å; Y406-Y409 PolarHBondContact O-N 2.95Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.43Å; Y406-M410 PolarHBondContact O-N 2.81Å
407	S	97.6	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.2	-42.3	179.6	56	0	0	0	0	111.5	L367 T403 A404 L405 M410 F411	L367-S407 WeakPolarHBondContact CB-OG 3.32Å; T403-S407 VanDerWaalsContact O-CB 3.27Å; T403-S407 WeakPolarHBondContact O-CB 3.43Å; T403-S407 PolarHBondContact O-N 3.2Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 3.21Å; A404-S407 WeakPolarHBondContact CA-OG 3.49Å; A404-S407 PolarHBondContact O-OG 3.17Å; L405-S407 PolarHBondContact O-N 3.36Å; S407-M410 PolarHBondContact O-N 2.89Å; S407-F411 PolarHBondContact O-N 3.4Å
408	L	96.6	Very high	95.9	Very high	82 Å²	82	42.6 Å²	42.6	43%	0.429	24%	0.237	S	C	.	.	H	α-helix	trans	-69.8	-36.5	172	-67.8	174.2	0	0	0	111.4	L367 A404 M410 F411 T412	L367-L408 HydrophobicContact CD2-CD2 4.19Å; L367-L408 HydrophobicContact CD2-CG 4.2Å; A404-L408 WeakPolarHBondContact O-CB 3.41Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; A404-L408 PolarHBondContact O-N 3.23Å; A404-L408 VanDerWaalsContact O-N 3.12Å; L408-M410 PolarHBondContact O-N 2.97Å; L408-F411 PolarHBondContact O-N 3.5Å; L408-T412 WeakPolarHBondContact O-CB 3.3Å; L408-T412 VanDerWaalsContact O-CG2 3.26Å; L408-T412 WeakPolarHBondContact O-CG2 3.46Å; L408-T412 PolarHBondContact O-N 2.99Å; L408-T412 PolarHBondContact O-OG1 3.3Å
409	Y	96.8	Very high	95.5	Very high	79 Å²	79	41.7 Å²	41.7	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-46	172.1	173.9	-112.9	0	0	0	111.7	L285 M342 L405 Y406 F411 T412 T413	L285-Y409 HydrophobicContact CD1-CD1 4.47Å; M342-Y409 HydrophobicContact CE-CD1 3.96Å; M342-Y409 HydrophobicContact CE-CE1 3.2Å; L405-Y409 WeakPolarHBondContact O-CB 3.47Å; L405-Y409 PolarHBondContact O-N 3.2Å; Y406-Y409 PolarHBondContact O-N 2.95Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.49Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.34Å; Y409-T412 PolarHBondContact O-N 2.94Å; Y409-T412 PolarHBondContact O-OG1 2.88Å; Y409-T413 HydrophobicContact CD2-CG2 3.66Å; Y409-T413 HydrophobicContact CE1-CG2 4.48Å; Y409-T413 HydrophobicContact CE2-CG2 3.31Å; Y409-T413 HydrophobicContact CG-CG2 4.35Å; Y409-T413 WeakPolarHBondContact O-CB 3.41Å; Y409-T413 VanDerWaalsContact O-CG2 3.28Å; Y409-T413 WeakPolarHBondContact O-CG2 3.38Å; Y409-T413 PolarHBondContact O-N 3.01Å; Y409-T413 PolarHBondContact O-OG1 3.45Å
410	M	96.9	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-43.4	174.5	-178.5	-148.2	-64.2	0	0	111.7	L285 I286 L326 W359 Y406 S407 L408 T413 T414	L285-M410 HydrophobicContact CD2-CB 4.31Å; L285-M410 HydrophobicContact CD2-CE 3.33Å; L285-M410 HydrophobicContact CD2-CG 4.35Å; I286-M410 HydrophobicContact CG1-CE 4.2Å; L326-M410 HydrophobicContact CD1-CE 4.33Å; L326-M410 HydrophobicContact CD2-CE 4.39Å; L326-M410 HydrophobicContact CD2-SD 3.89Å; W359-M410 HydrophobicContact CE3-SD 4.39Å; W359-M410 HydrophobicContact CZ3-CG 4.05Å; W359-M410 HydrophobicContact CZ3-SD 3.65Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.43Å; Y406-M410 PolarHBondContact O-N 2.81Å; S407-M410 PolarHBondContact O-N 2.89Å; L408-M410 PolarHBondContact O-N 2.97Å; M410-T413 PolarHBondContact O-OG1 3.27Å; M410-T414 WeakPolarHBondContact O-CB 3.38Å; M410-T414 VanDerWaalsContact O-CG2 3.28Å; M410-T414 WeakPolarHBondContact O-CG2 3.46Å; M410-T414 PolarHBondContact O-N 2.91Å; M410-T414 PolarHBondContact O-OG1 2.96Å
411	F	97.3	Very high	94.5	Very high	9 Å²	9	49 Å²	49	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-51.2	178.3	178.6	-102.2	0	0	0	112.2	W359 L360 S407 L408 Y409 T413 T414 Q415 W416	W359-F411 HydrophobicContact CB-CD2 3.98Å; W359-F411 HydrophobicContact CB-CE2 4.02Å; L360-F411 HydrophobicContact CB-CD2 4.48Å; L360-F411 HydrophobicContact CB-CE2 3.71Å; L360-F411 HydrophobicContact CB-CZ 4.02Å; L360-F411 HydrophobicContact CD1-CE1 3.98Å; L360-F411 HydrophobicContact CD1-CE2 4.06Å; L360-F411 HydrophobicContact CD1-CZ 3.74Å; L360-F411 HydrophobicContact CG-CZ 4.46Å; S407-F411 PolarHBondContact O-N 3.4Å; L408-F411 PolarHBondContact O-N 3.5Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.49Å; F411-T413 PolarHBondContact O-N 3.4Å; F411-T414 PolarHBondContact O-N 3.42Å; F411-T414 PolarHBondContact O-OG1 3.37Å; F411-Q415 HydrophobicContact CD2-CB 4.29Å; F411-Q415 HydrophobicContact CD2-CG 3.75Å; F411-Q415 HydrophobicContact CE2-CB 3.95Å; F411-Q415 HydrophobicContact CE2-CG 3.58Å; F411-Q415 HydrophobicContact CZ-CB 4.1Å; F411-Q415 HydrophobicContact CZ-CG 4.25Å; F411-Q415 WeakPolarHBondContact O-CB 3.42Å; F411-Q415 PolarHBondContact O-N 3.29Å; F411-W416 HydrophobicContact CE1-CD2 4.38Å; F411-W416 AromaticContact CE1-CE2 3.68Å; F411-W416 AromaticContact CE1-CZ2 3.92Å; F411-W416 HydrophobicContact CE1-CZ2 3.92Å; F411-W416 AromaticContact CE1-NE1 3.56Å
412	T	96.4	Very high	94.1	Very high	46 Å²	46	52.8 Å²	52.8	28%	0.282	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-42.7	-176.9	52.6	0	0	0	0	112.2	L408 Y409 T414 W416	L408-T412 WeakPolarHBondContact O-CB 3.3Å; L408-T412 VanDerWaalsContact O-CG2 3.26Å; L408-T412 WeakPolarHBondContact O-CG2 3.46Å; L408-T412 PolarHBondContact O-N 2.99Å; L408-T412 PolarHBondContact O-OG1 3.3Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.34Å; Y409-T412 PolarHBondContact O-N 2.94Å; Y409-T412 PolarHBondContact O-OG1 2.88Å; T412-T414 VanDerWaalsContact C-N 3.32Å; T412-T414 PolarHBondContact O-N 3.04Å; T412-W416 HydrophobicContact CG2-CD2 4.21Å; T412-W416 HydrophobicContact CG2-CE3 3.58Å; T412-W416 HydrophobicContact CG2-CZ3 3.89Å; T412-W416 CarbonylContact O-C 3.48Å; T412-W416 WeakPolarHBondContact O-CA 3.33Å; T412-W416 WeakPolarHBondContact O-CB 3.2Å; T412-W416 PolarHBondContact O-N 3.03Å
413	T	95.7	Very high	93.4	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-29.9	178.5	52.7	0	0	0	0	113.5	M342 Q346 Y409 M410 F411	M342-T413 HydrophobicContact CE-CG2 4.12Å; M342-T413 WeakPolarHBondContact CE-OG1 3.29Å; M342-T413 WeakPolarHBondContact CG-OG1 3.21Å; M342-T413 PolarHBondContact SD-OG1 3.37Å; Q346-T413 VanDerWaalsContact CG-O 3.24Å; Q346-T413 WeakPolarHBondContact CG-O 2.89Å; Y409-T413 HydrophobicContact CD2-CG2 3.66Å; Y409-T413 HydrophobicContact CE1-CG2 4.48Å; Y409-T413 HydrophobicContact CE2-CG2 3.31Å; Y409-T413 HydrophobicContact CG-CG2 4.35Å; Y409-T413 WeakPolarHBondContact O-CB 3.41Å; Y409-T413 VanDerWaalsContact O-CG2 3.28Å; Y409-T413 WeakPolarHBondContact O-CG2 3.38Å; Y409-T413 PolarHBondContact O-N 3.01Å; Y409-T413 PolarHBondContact O-OG1 3.45Å; M410-T413 PolarHBondContact O-OG1 3.27Å; F411-T413 PolarHBondContact O-N 3.4Å
414	T	95.4	Very high	92.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-90.7	-41	-179.5	58.7	0	0	0	0	113.2	L282 M342 S345 G347 L348 M410 F411 T412	L282-T414 HydrophobicContact CD1-CG2 3.44Å; L282-T414 VanDerWaalsContact CD1-CG2 3.44Å; M342-T414 HydrophobicContact CG-CG2 3.79Å; S345-T414 CarbonylContact O-C 3.55Å; S345-T414 WeakPolarHBondContact O-CA 3.08Å; G347-T414 PolarHBondContact N-O 2.63Å; L348-T414 WeakPolarHBondContact CB-O 3.19Å; L348-T414 WeakPolarHBondContact CG-O 3.46Å; L348-T414 PolarHBondContact N-O 2.95Å; M410-T414 WeakPolarHBondContact O-CB 3.38Å; M410-T414 VanDerWaalsContact O-CG2 3.28Å; M410-T414 WeakPolarHBondContact O-CG2 3.46Å; M410-T414 PolarHBondContact O-N 2.91Å; M410-T414 PolarHBondContact O-OG1 2.96Å; F411-T414 PolarHBondContact O-N 3.42Å; F411-T414 PolarHBondContact O-OG1 3.37Å; T412-T414 VanDerWaalsContact C-N 3.32Å; T412-T414 PolarHBondContact O-N 3.04Å
415	Q	96.1	Very high	91.7	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-98.3	-36.5	-171	-57.1	-48.1	-58.2	0	0	113	G347 L348 Q349 A356 W359 F411	G347-Q415 CarbonylContact C-O 3.3Å; G347-Q415 VanDerWaalsContact C-O 3.24Å; G347-Q415 WeakPolarHBondContact CA-O 3.09Å; L348-Q415 PolarHBondContact N-O 3.07Å; Q349-Q415 HydrophobicContact CB-CB 4.33Å; Q349-Q415 VanDerWaalsContact CB-O 3.24Å; Q349-Q415 WeakPolarHBondContact CB-O 3.2Å; Q349-Q415 PolarHBondContact N-O 3.47Å; A356-Q415 HydrophobicContact CB-CG 4.37Å; W359-Q415 HydrophobicContact CB-CG 3.83Å; W359-Q415 HydrophobicContact CG-CG 4.03Å; F411-Q415 HydrophobicContact CD2-CB 4.29Å; F411-Q415 HydrophobicContact CD2-CG 3.75Å; F411-Q415 HydrophobicContact CE2-CB 3.95Å; F411-Q415 HydrophobicContact CE2-CG 3.58Å; F411-Q415 HydrophobicContact CZ-CB 4.1Å; F411-Q415 HydrophobicContact CZ-CG 4.25Å; F411-Q415 WeakPolarHBondContact O-CB 3.42Å; F411-Q415 PolarHBondContact O-N 3.29Å
416	W	93.1	Very high	91.2	Very high	140 Å²	140	63 Å²	63	53%	0.53	33%	0.332	S	S	.	.	S	Bend	trans	-95.8	169.8	-176.4	-68.3	-2.7	0	0	0	112.3	G347 F411 T412	G347-W416 WeakPolarHBondContact CA-O 3.49Å; G347-W416 PolarHBondContact N-O 3.05Å; F411-W416 HydrophobicContact CE1-CD2 4.38Å; F411-W416 AromaticContact CE1-CE2 3.68Å; F411-W416 AromaticContact CE1-CZ2 3.92Å; F411-W416 HydrophobicContact CE1-CZ2 3.92Å; F411-W416 AromaticContact CE1-NE1 3.56Å; T412-W416 HydrophobicContact CG2-CD2 4.21Å; T412-W416 HydrophobicContact CG2-CE3 3.58Å; T412-W416 HydrophobicContact CG2-CZ3 3.89Å; T412-W416 CarbonylContact O-C 3.48Å; T412-W416 WeakPolarHBondContact O-CA 3.33Å; T412-W416 WeakPolarHBondContact O-CB 3.2Å; T412-W416 PolarHBondContact O-N 3.03Å
417	G	90.3	Very high	90.9	Very high	60 Å²	60	68.3 Å²	68.3	62%	0.619	36%	0.355	S	S	*	.	S	Bend	trans	91.6	-174.8	-179.3	0	0	0	0	0	113.9	G347	G347-G417 VanDerWaalsContact CA-O 3.32Å; G347-G417 WeakPolarHBondContact CA-O 3.43Å
418	S	88.4	Confident	90.8	Very high	87 Å²	87	73 Å²	73	61%	0.608	39%	0.386	S	S	*	.			trans	-73.6	140.5	175.7	52.4	0	0	0	0	110.9
419	L	88.3	Confident	90.8	Very high	58 Å²	58	70.8 Å²	70.8	30%	0.304	38%	0.377	S	S	.	.			trans	-60.7	142.2	169.9	-74.3	163.6	0	0	0	111.1	G347 T350 L351 H421	G347-L419 VanDerWaalsContact O-CD2 3.28Å; G347-L419 WeakPolarHBondContact O-CD2 3.24Å; T350-L419 VanDerWaalsContact OG1-CD1 3.25Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.3Å; T350-L419 WeakPolarHBondContact OG1-CG 3.32Å; L351-L419 HydrophobicContact CD1-CD1 4.2Å; L351-L419 HydrophobicContact CD1-CD2 3.41Å; L351-L419 VanDerWaalsContact CD1-CD2 3.41Å; L351-L419 HydrophobicContact CD1-CG 4.45Å; L351-L419 HydrophobicContact CD2-CD1 4.15Å; L351-L419 HydrophobicContact CG-CD1 3.94Å; L351-L419 HydrophobicContact CG-CD2 3.74Å; L351-L419 HydrophobicContact CG-CG 4.48Å; L419-H421 PolarHBondContact O-N 3.32Å
420	T	88.1	Confident	90.8	Very high	38 Å²	38	70.7 Å²	70.7	23%	0.233	38%	0.378	C	S	.	.			trans	-70.5	111.7	172.1	44.5	0	0	0	0	110.1	L344 Q346 H422 I423	L344-T420 WeakPolarHBondContact O-CG2 3.07Å; L344-T420 PolarHBondContact O-OG1 2.95Å; L344-T420 VanDerWaalsContact O-OG1 3.05Å; Q346-T420 HydrophobicContact CB-CG2 4.4Å; T420-H422 PolarHBondContact O-N 3.39Å; T420-I423 PolarHBondContact O-N 2.92Å; T420-I423 VanDerWaalsContact OG1-CD1 3.23Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.36Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.32Å
421	H	83.1	Confident	90.8	Very high	161 Å²	161	76.4 Å²	76.4	75%	0.745	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22	-171.3	-67.3	-60.3	0	0	0	115.6	L419 N424	L419-H421 PolarHBondContact O-N 3.32Å; H421-N424 PolarHBondContact O-OD1 2.99Å
422	H	88.1	Confident	90.7	Very high	183 Å²	183	78 Å²	78	85%	0.847	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.3	-179.6	-55.9	-59.2	0	0	0	113.5	T420 N424	T420-H422 PolarHBondContact O-N 3.39Å; H422-N424 PolarHBondContact O-N 3.21Å
423	I	83.9	Confident	90.8	Very high	48 Å²	48	76.1 Å²	76.1	25%	0.246	41%	0.407	C	S	.	.			trans	-94.1	86.8	-177.6	-53.5	-171.8	0	0	0	109.9	T337 L344 T420 M426	T337-I423 HydrophobicContact CG2-CD1 4.22Å; L344-I423 WeakPolarHBondContact O-CD1 2.88Å; T420-I423 PolarHBondContact O-N 2.92Å; T420-I423 VanDerWaalsContact OG1-CD1 3.23Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.36Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.32Å; I423-M426 HydrophobicContact CG2-CE 4.37Å; I423-M426 HydrophobicContact CG2-CG 3.8Å; I423-M426 HydrophobicContact CG2-SD 3.73Å
424	N	79.5	Confident	90.9	Very high	135 Å²	135	76.3 Å²	76.3	72%	0.722	41%	0.407	S	S	*	.			trans	-93.3	-11.8	-177.7	-66.2	-6.8	0	0	0	113.9	H421 H422 M426	H421-N424 PolarHBondContact O-OD1 2.99Å; H422-N424 PolarHBondContact O-N 3.21Å; N424-M426 PolarHBondContact O-N 3.33Å
425	N	78.6	Confident	91	Very high	140 Å²	140	79.4 Å²	79.4	75%	0.749	43%	0.426	S	S	*	.			trans	-99.2	33.4	-169.6	-71.3	-6.5	0	0	0	114.1	K427	N425-K427 PolarHBondContact O-N 2.95Å
426	M	87.6	Confident	91	Very high	33 Å²	33	79.6 Å²	79.6	16%	0.163	43%	0.427	C	S	.	.			trans	-78.9	105	178.2	-65.3	-54.7	-118.1	0	0	111	R336 T337 L348 L351 I423 N424	R336-M426 HydrophobicContact CB-CE 4.35Å; R336-M426 HydrophobicContact CB-SD 3.65Å; R336-M426 HydrophobicContact CG-SD 4.36Å; T337-M426 HydrophobicContact CG2-CE 3.8Å; T337-M426 HydrophobicContact CG2-SD 4.21Å; L348-M426 HydrophobicContact CD2-CE 3.25Å; L351-M426 HydrophobicContact CD1-CB 3.92Å; L351-M426 HydrophobicContact CD1-CG 3.96Å; I423-M426 HydrophobicContact CG2-CE 4.37Å; I423-M426 HydrophobicContact CG2-CG 3.8Å; I423-M426 HydrophobicContact CG2-SD 3.73Å; N424-M426 PolarHBondContact O-N 3.33Å
427	K	91.7	Very high	91.3	Very high	113 Å²	113	73 Å²	73	49%	0.491	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.5	172.5	-64	-179.8	-175.2	175.5	0	110.5	R336 N425 F430	R336-K427 PolarHBondContact NE-O 3.14Å; R336-K427 PolarHBondContact NH2-O 3.23Å; N425-K427 PolarHBondContact O-N 2.95Å; K427-F430 HydrophobicContact CB-CE2 4.44Å; K427-F430 HydrophobicContact CB-CZ 4.27Å; K427-F430 HydrophobicContact CD-CZ 3.92Å
428	P	95	Very high	91.6	Very high	99 Å²	99	75.7 Å²	75.7	64%	0.643	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-57.8	163.5	173.3	25.2	-34.1	0	0	0	111.8	R336 F430	R336-P428 PolarHBondContact NH2-O 2.69Å; P428-F430 PolarHBondContact O-N 2.69Å
429	S	96.2	Very high	92	Very high	35 Å²	35	74.2 Å²	74.2	25%	0.245	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-61.8	125.6	177.5	58.6	0	0	0	0	110.5	N434	S429-N434 PolarHBondContact OG-ND2 2.96Å
430	F	96.7	Very high	92.4	Very high	76 Å²	76	71.4 Å²	71.4	33%	0.333	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-74.9	149.8	176.7	-66.6	-75.3	0	0	0	110.5	K427 P428 R432 E433 N434	K427-F430 HydrophobicContact CB-CE2 4.44Å; K427-F430 HydrophobicContact CB-CZ 4.27Å; K427-F430 HydrophobicContact CD-CZ 3.92Å; P428-F430 PolarHBondContact O-N 2.69Å; F430-R432 VanDerWaalsContact C-N 3.25Å; F430-R432 PolarHBondContact O-N 3.14Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 PolarHBondContact N-OE2 2.76Å; F430-E433 WeakPolarHBondContact O-CB 3.37Å; F430-E433 PolarHBondContact O-N 3.19Å; F430-N434 PolarHBondContact O-N 3.24Å; F430-N434 VanDerWaalsContact O-N 3.12Å
431	T	97.1	Very high	92.7	Very high	120 Å²	120	70 Å²	70	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-54.3	-43.7	174.5	51.1	0	0	0	0	111.5	E433 N434 T435	T431-E433 VanDerWaalsContact C-N 3.3Å; T431-E433 PolarHBondContact O-N 2.87Å; T431-N434 PolarHBondContact O-N 3.29Å; T431-T435 WeakPolarHBondContact O-CG2 3.47Å; T431-T435 PolarHBondContact O-N 3.43Å; T431-T435 PolarHBondContact O-OG1 3.27Å; T431-T435 VanDerWaalsContact O-OG1 3.04Å
432	R	96.3	Very high	93.3	Very high	44 Å²	44	63.2 Å²	63.2	17%	0.166	33%	0.328	C	S	.	.	H	α-helix	trans	-51.7	-44.7	173.3	-177	-165	70.5	102.7	-5.6	113.1	M78 A79 E335 F430 T435 L436	M78-R432 WeakPolarHBondContact O-CD 3.37Å; M78-R432 PolarHBondContact O-NH1 3.09Å; A79-R432 PolarHBondContact O-NH1 3.12Å; E335-R432 IonicContact OE1-NH2 3.42Å; E335-R432 PolarHBondContact OE1-NH2 2.9Å; E335-R432 IonicContact OE2-NH2 3.96Å; E335-R432 PolarHBondContact OE2-NH2 2.9Å; F430-R432 VanDerWaalsContact C-N 3.25Å; F430-R432 PolarHBondContact O-N 3.14Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.3Å; R432-T435 WeakPolarHBondContact CA-OG1 3.12Å; R432-T435 PolarHBondContact O-OG1 3.3Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.24Å; R432-L436 PolarHBondContact O-N 2.9Å
433	E	97.3	Very high	93.6	Very high	5 Å²	5	55.4 Å²	55.4	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-47.4	-178.1	-63.9	172.1	153.8	0	0	110.1	R336 M355 F430 T431 T435 L436 M437	R336-E433 IonicContact CZ-OE1 3.55Å; R336-E433 IonicContact CZ-OE2 3.53Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.41Å; R336-E433 IonicContact NH1-OE2 3.38Å; R336-E433 PolarHBondContact NH1-OE2 3Å; R336-E433 IonicContact NH2-OE1 3.38Å; R336-E433 PolarHBondContact NH2-OE1 2.66Å; R336-E433 IonicContact NH2-OE2 2.73Å; R336-E433 PolarHBondContact NH2-OE2 3.49Å; M355-E433 HydrophobicContact CE-CB 3.87Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 PolarHBondContact N-OE2 2.76Å; F430-E433 WeakPolarHBondContact O-CB 3.37Å; F430-E433 PolarHBondContact O-N 3.19Å; T431-E433 VanDerWaalsContact C-N 3.3Å; T431-E433 PolarHBondContact O-N 2.87Å; E433-T435 PolarHBondContact O-N 2.93Å; E433-L436 WeakPolarHBondContact O-CB 3.23Å; E433-L436 PolarHBondContact O-N 3.07Å; E433-L436 VanDerWaalsContact O-N 3.14Å; E433-M437 WeakPolarHBondContact O-CG 3.02Å; E433-M437 PolarHBondContact O-N 3.04Å
434	N	97.8	Very high	94	Very high	25 Å²	25	53.3 Å²	53.3	13%	0.134	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-39.9	178.9	-68.1	-28.2	0	0	0	112.2	W358 S429 F430 T431 L436 M437 F438	W358-N434 PolarHBondContact NE1-OD1 3.39Å; S429-N434 PolarHBondContact OG-ND2 2.96Å; F430-N434 PolarHBondContact O-N 3.24Å; F430-N434 VanDerWaalsContact O-N 3.12Å; T431-N434 PolarHBondContact O-N 3.29Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.24Å; N434-M437 PolarHBondContact O-N 3.09Å; N434-F438 WeakPolarHBondContact O-CB 3.35Å; N434-F438 PolarHBondContact O-N 2.9Å
435	T	97.4	Very high	94.6	Very high	66 Å²	66	51.6 Å²	51.6	41%	0.405	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-37.2	173.9	52	0	0	0	0	111.5	T431 R432 E433 M439	T431-T435 WeakPolarHBondContact O-CG2 3.47Å; T431-T435 PolarHBondContact O-N 3.43Å; T431-T435 PolarHBondContact O-OG1 3.27Å; T431-T435 VanDerWaalsContact O-OG1 3.04Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.3Å; R432-T435 WeakPolarHBondContact CA-OG1 3.12Å; R432-T435 PolarHBondContact O-OG1 3.3Å; E433-T435 PolarHBondContact O-N 2.93Å; T435-M439 WeakPolarHBondContact O-CB 3.2Å; T435-M439 WeakPolarHBondContact O-CG 3.36Å; T435-M439 PolarHBondContact O-N 3.24Å
436	L	97.4	Very high	95.2	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-44.6	177.4	-177	151.6	0	0	0	111.1	M78 A79 C328 R432 E433 N434 F438 M439 H440	M78-L436 HydrophobicContact CB-CD1 4.34Å; A79-L436 HydrophobicContact CB-CD1 3.6Å; C328-L436 HydrophobicContact CB-CD2 3.36Å; C328-L436 WeakPolarHBondContact SG-CD2 3.32Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.24Å; R432-L436 PolarHBondContact O-N 2.9Å; E433-L436 WeakPolarHBondContact O-CB 3.23Å; E433-L436 PolarHBondContact O-N 3.07Å; E433-L436 VanDerWaalsContact O-N 3.14Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.24Å; L436-F438 VanDerWaalsContact C-N 3.34Å; L436-F438 PolarHBondContact O-N 3.37Å; L436-M439 PolarHBondContact O-N 3.44Å; L436-H440 PolarHBondContact O-CD2 2.99Å; L436-H440 VanDerWaalsContact O-CD2 3.29Å; L436-H440 PolarHBondContact O-N 3.15Å; L436-H440 VanDerWaalsContact O-N 3.16Å
437	M	97.8	Very high	95.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-42.8	176.5	-57.4	-45.5	158.1	0	0	111.4	L325 C328 L329 M355 W358 E433 N434 M439 H440 L441	L325-M437 HydrophobicContact CD1-CB 4.08Å; L325-M437 HydrophobicContact CD1-CG 4.31Å; L325-M437 HydrophobicContact CD1-SD 3.44Å; L325-M437 WeakPolarHBondContact CD1-SD 3.07Å; C328-M437 HydrophobicContact CB-CE 3.91Å; C328-M437 HydrophobicContact CB-SD 4.19Å; L329-M437 HydrophobicContact CD2-CE 3.75Å; L329-M437 HydrophobicContact CD2-CG 4.11Å; L329-M437 HydrophobicContact CD2-SD 3.6Å; L329-M437 VanDerWaalsContact CD2-SD 3.6Å; L329-M437 HydrophobicContact CG-CE 4.1Å; L329-M437 HydrophobicContact CG-SD 3.77Å; M355-M437 HydrophobicContact SD-CE 4.27Å; M355-M437 HydrophobicContact SD-CG 4.35Å; W358-M437 HydrophobicContact CB-CB 4.06Å; W358-M437 HydrophobicContact CB-CG 4.05Å; W358-M437 HydrophobicContact CD2-CB 3.62Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.16Å; W358-M437 HydrophobicContact CG-CB 3.58Å; W358-M437 HydrophobicContact CG-CG 3.85Å; E433-M437 WeakPolarHBondContact O-CG 3.02Å; E433-M437 PolarHBondContact O-N 3.04Å; N434-M437 PolarHBondContact O-N 3.09Å; M437-M439 PolarHBondContact O-N 3.3Å; M437-H440 PolarHBondContact O-N 2.92Å; M437-L441 PolarHBondContact O-N 3.27Å
438	F	97.6	Very high	95.6	Very high	116 Å²	116	46.7 Å²	46.7	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-45.1	176.3	177.9	-103.3	0	0	0	112.3	W358 N434 L436 H440 L441 S442	W358-F438 HydrophobicContact CH2-CB 3.91Å; W358-F438 HydrophobicContact CH2-CD2 4.03Å; W358-F438 HydrophobicContact CH2-CG 4.49Å; W358-F438 HydrophobicContact CZ2-CB 4.18Å; N434-F438 WeakPolarHBondContact O-CB 3.35Å; N434-F438 PolarHBondContact O-N 2.9Å; L436-F438 VanDerWaalsContact C-N 3.34Å; L436-F438 PolarHBondContact O-N 3.37Å; F438-H440 PolarHBondContact O-N 3.26Å; F438-L441 PolarHBondContact O-N 2.93Å; F438-S442 WeakPolarHBondContact O-CB 3.41Å; F438-S442 PolarHBondContact O-N 3.11Å; F438-S442 PolarHBondContact O-OG 2.97Å
439	M	96.9	Very high	95.5	Very high	55 Å²	55	49 Å²	49	27%	0.271	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-21.5	178.1	-71.6	-66.6	-167.9	0	0	113.6	W71 L75 T435 L436 M437 P443	W71-M439 HydrophobicContact CH2-SD 3.68Å; W71-M439 HydrophobicContact CZ2-CB 4.06Å; W71-M439 HydrophobicContact CZ2-CG 4.49Å; W71-M439 WeakPolarHBondContact CZ2-O 3.22Å; W71-M439 HydrophobicContact CZ2-SD 3.76Å; W71-M439 PolarHBondContact NE1-O 3.15Å; W71-M439 VanDerWaalsContact NE1-O 3.1Å; L75-M439 HydrophobicContact CD1-CB 4.44Å; L75-M439 HydrophobicContact CD2-CB 3.93Å; L75-M439 HydrophobicContact CG-CB 4.2Å; T435-M439 WeakPolarHBondContact O-CB 3.2Å; T435-M439 WeakPolarHBondContact O-CG 3.36Å; T435-M439 PolarHBondContact O-N 3.24Å; L436-M439 PolarHBondContact O-N 3.44Å; M437-M439 PolarHBondContact O-N 3.3Å; M439-P443 WeakPolarHBondContact O-CD 3.39Å; M439-P443 WeakPolarHBondContact O-CG 3.47Å
440	H	96.5	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-82	-38.2	171.4	-86.1	-67.7	0	0	0	113	L75 M229 S324 L325 L436 M437 F438 P443 I444	L75-H440 VanDerWaalsContact CD2-CD2 3.46Å; L75-H440 WeakPolarHBondContact CD2-CD2 3.46Å; L75-H440 VanDerWaalsContact CD2-CE1 3.41Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.41Å; L75-H440 VanDerWaalsContact CD2-NE2 3.32Å; L75-H440 WeakPolarHBondContact CD2-NE2 3.41Å; M229-H440 WeakPolarHBondContact CE-NE2 3.47Å; S324-H440 PolarHBondContact OG-CE1 2.87Å; S324-H440 PolarHBondContact OG-ND1 2.87Å; L325-H440 HydrophobicContact CB-CB 3.94Å; L325-H440 HydrophobicContact CD1-CB 3.76Å; L325-H440 HydrophobicContact CG-CB 4.3Å; L436-H440 PolarHBondContact O-CD2 2.99Å; L436-H440 VanDerWaalsContact O-CD2 3.29Å; L436-H440 PolarHBondContact O-N 3.15Å; L436-H440 VanDerWaalsContact O-N 3.16Å; M437-H440 PolarHBondContact O-N 2.92Å; F438-H440 PolarHBondContact O-N 3.26Å; H440-P443 WeakPolarHBondContact O-CD 3.37Å; H440-I444 WeakPolarHBondContact O-CD1 3.27Å; H440-I444 WeakPolarHBondContact O-CG1 3.33Å
441	L	95	Very high	94.8	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-82.6	-32.2	-176.7	-80.5	161.7	0	0	0	113.3	L325 W358 L361 M437 F438 I444 L445	L325-L441 HydrophobicContact CD2-CD1 4.05Å; L325-L441 HydrophobicContact CD2-CD2 3.75Å; L325-L441 HydrophobicContact CD2-CG 3.65Å; W358-L441 HydrophobicContact CD2-CD1 4.28Å; W358-L441 HydrophobicContact CE3-CD1 3.15Å; W358-L441 HydrophobicContact CZ3-CB 4.49Å; W358-L441 HydrophobicContact CZ3-CD1 3.44Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.44Å; L361-L441 HydrophobicContact CB-CD1 3.94Å; L361-L441 HydrophobicContact CB-CD2 3.99Å; L361-L441 HydrophobicContact CD1-CD1 3.89Å; M437-L441 PolarHBondContact O-N 3.27Å; F438-L441 PolarHBondContact O-N 2.93Å; L441-I444 HydrophobicContact CD2-CD1 4.27Å; L441-I444 WeakPolarHBondContact O-CB 3.32Å; L441-I444 PolarHBondContact O-N 3.28Å; L441-I444 VanDerWaalsContact O-N 3.16Å; L441-L445 PolarHBondContact O-N 3.49Å
442	S	94.6	Very high	94.3	Very high	19 Å²	19	48.1 Å²	48.1	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-45	-179.2	70.6	0	0	0	0	112.1	F438 I444 L445 H446	F438-S442 WeakPolarHBondContact O-CB 3.41Å; F438-S442 PolarHBondContact O-N 3.11Å; F438-S442 PolarHBondContact O-OG 2.97Å; S442-I444 VanDerWaalsContact C-N 3.35Å; S442-I444 PolarHBondContact O-N 2.89Å; S442-L445 PolarHBondContact O-N 2.94Å; S442-H446 PolarHBondContact O-N 2.97Å; S442-H446 PolarHBondContact O-ND1 3.22Å
443	P	93.8	Very high	93.8	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-35.2	177.4	-17.8	33.5	0	0	0	112.5	W71 L321 M439 H440 L445 H446 L447	W71-P443 HydrophobicContact CZ2-CG 4.04Å; L321-P443 HydrophobicContact CD1-CB 4.06Å; M439-P443 WeakPolarHBondContact O-CD 3.39Å; M439-P443 WeakPolarHBondContact O-CG 3.47Å; H440-P443 WeakPolarHBondContact O-CD 3.37Å; P443-L445 VanDerWaalsContact C-N 3.32Å; P443-L445 PolarHBondContact O-N 3.14Å; P443-H446 PolarHBondContact O-N 3.31Å; P443-L447 VanDerWaalsContact O-CB 3.23Å; P443-L447 WeakPolarHBondContact O-CB 3.3Å; P443-L447 WeakPolarHBondContact O-CG 3.32Å; P443-L447 PolarHBondContact O-N 3.21Å
444	I	93.1	Very high	93.3	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-45	177	-61.5	171.2	0	0	0	110.2	L321 T322 I373 H440 L441 S442 S448	L321-I444 HydrophobicContact CB-CD1 3.77Å; L321-I444 HydrophobicContact CB-CG1 3.63Å; L321-I444 HydrophobicContact CD1-CG1 3.76Å; L321-I444 HydrophobicContact CG-CG1 4.31Å; T322-I444 HydrophobicContact CG2-CD1 3.76Å; I373-I444 HydrophobicContact CD1-CG2 4.49Å; I373-I444 HydrophobicContact CG1-CG2 4.13Å; H440-I444 WeakPolarHBondContact O-CD1 3.27Å; H440-I444 WeakPolarHBondContact O-CG1 3.33Å; L441-I444 HydrophobicContact CD2-CD1 4.27Å; L441-I444 WeakPolarHBondContact O-CB 3.32Å; L441-I444 PolarHBondContact O-N 3.28Å; L441-I444 VanDerWaalsContact O-N 3.16Å; S442-I444 VanDerWaalsContact C-N 3.35Å; S442-I444 PolarHBondContact O-N 2.89Å; I444-S448 PolarHBondContact O-N 2.61Å
445	L	92.1	Very high	92.6	Very high	99 Å²	99	48.4 Å²	48.4	52%	0.518	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-45.2	178.4	-67.4	171.8	0	0	0	111.9	L441 S442 P443 L447 S448	L441-L445 PolarHBondContact O-N 3.49Å; S442-L445 PolarHBondContact O-N 2.94Å; P443-L445 VanDerWaalsContact C-N 3.32Å; P443-L445 PolarHBondContact O-N 3.14Å; L445-L447 PolarHBondContact O-N 2.86Å; L445-S448 WeakPolarHBondContact O-CB 3.46Å; L445-S448 PolarHBondContact O-N 3.24Å; L445-S448 PolarHBondContact O-OG 3.16Å
446	H	92.1	Very high	91.6	Very high	130 Å²	130	45.3 Å²	45.3	60%	0.602	24%	0.237	S	C	*	.	H	α-helix	trans	-66.6	-38.2	-179.8	-70.3	83.9	0	0	0	112.1	S442 P443 S448 L449 N450	S442-H446 PolarHBondContact O-N 2.97Å; S442-H446 PolarHBondContact O-ND1 3.22Å; P443-H446 PolarHBondContact O-N 3.31Å; H446-S448 PolarHBondContact O-N 3.24Å; H446-L449 WeakPolarHBondContact O-CB 3.4Å; H446-L449 PolarHBondContact O-N 2.93Å; H446-L449 VanDerWaalsContact O-N 3.14Å; H446-N450 PolarHBondContact O-N 2.87Å
447	L	93.4	Very high	90	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-24.4	175.3	-71.2	172.2	0	0	0	112.8	I317 L321 I373 P443 L445 L449 N450 P451 I454	I317-L447 HydrophobicContact CG2-CD1 4.2Å; L321-L447 HydrophobicContact CD1-CD1 4.19Å; I373-L447 HydrophobicContact CD1-CB 4.11Å; I373-L447 HydrophobicContact CD1-CD1 4.02Å; I373-L447 HydrophobicContact CG2-CB 3.96Å; P443-L447 VanDerWaalsContact O-CB 3.23Å; P443-L447 WeakPolarHBondContact O-CB 3.3Å; P443-L447 WeakPolarHBondContact O-CG 3.32Å; P443-L447 PolarHBondContact O-N 3.21Å; L445-L447 PolarHBondContact O-N 2.86Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 PolarHBondContact O-N 3.01Å; L447-N450 CarbonylContact O-C 3.57Å; L447-N450 VanDerWaalsContact O-C 3.3Å; L447-P451 WeakPolarHBondContact O-CA 3.45Å; L447-I454 HydrophobicContact CB-CD1 4.46Å; L447-I454 HydrophobicContact CD1-CG2 4.41Å; L447-I454 HydrophobicContact CD2-CG2 3.77Å
448	S	93.3	Very high	87.8	Confident	34 Å²	34	51.9 Å²	51.9	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-26.4	172.5	74	0	0	0	0	113.2	P371 I444 L445 H446	P371-S448 WeakPolarHBondContact O-CB 3.17Å; I444-S448 PolarHBondContact O-N 2.61Å; L445-S448 WeakPolarHBondContact O-CB 3.46Å; L445-S448 PolarHBondContact O-N 3.24Å; L445-S448 PolarHBondContact O-OG 3.16Å; H446-S448 PolarHBondContact O-N 3.24Å
449	L	92.5	Very high	85.1	Confident	146 Å²	146	52 Å²	52	76%	0.764	29%	0.288	S	S	*	.	H	α-helix	trans	-78.9	-32.9	177.3	-63.2	173.1	0	0	0	112.4	H446 L447	H446-L449 WeakPolarHBondContact O-CB 3.4Å; H446-L449 PolarHBondContact O-N 2.93Å; H446-L449 VanDerWaalsContact O-N 3.14Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-L449 PolarHBondContact O-N 3.01Å
450	N	90.6	Very high	84.6	Confident	73 Å²	73	51.9 Å²	51.9	39%	0.39	29%	0.289	S	S	.	.			trans	-136	79.1	177.7	-170.3	-1.9	0	0	0	110.7	H446 L447 D452 I453	H446-N450 PolarHBondContact O-N 2.87Å; L447-N450 CarbonylContact O-C 3.57Å; L447-N450 VanDerWaalsContact O-C 3.3Å; N450-D452 VanDerWaalsContact C-N 3.25Å; N450-D452 PolarHBondContact O-N 3.26Å; N450-I453 HydrophobicContact CB-CD1 4.19Å
451	P	88.6	Confident	83.9	Confident	32 Å²	32	54.6 Å²	54.6	21%	0.208	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-72.4	-17.2	-178.1	29.5	-34.9	0	0	0	113.2	L376 L447 I453 I454 T455	L376-P451 HydrophobicContact CD2-CB 3.5Å; L376-P451 VanDerWaalsContact CD2-CB 3.5Å; L376-P451 HydrophobicContact CD2-CG 4.26Å; L447-P451 WeakPolarHBondContact O-CA 3.45Å; P451-I453 PolarHBondContact O-N 3.12Å; P451-I453 VanDerWaalsContact O-N 3.08Å; P451-I454 WeakPolarHBondContact O-CG1 3.46Å; P451-I454 PolarHBondContact O-N 3.07Å; P451-T455 WeakPolarHBondContact O-CG2 3.31Å; P451-T455 PolarHBondContact O-N 2.97Å
452	D	85.8	Confident	83.3	Confident	109 Å²	109	57.2 Å²	57.2	58%	0.583	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-56.1	-34.1	-175	-61.5	-13.5	0	0	0	112.1	N450 I454 T455	N450-D452 VanDerWaalsContact C-N 3.25Å; N450-D452 PolarHBondContact O-N 3.26Å; D452-I454 PolarHBondContact O-N 3.48Å; D452-T455 PolarHBondContact O-N 3.33Å; D452-T455 PolarHBondContact O-OG1 3.19Å
453	I	85.7	Confident	82.6	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.297	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54	-28.5	176.4	-59.2	-179.2	0	0	0	112.9	F42 N450 P451	F42-I453 HydrophobicContact CD1-CG2 3.47Å; F42-I453 VanDerWaalsContact CD1-CG2 3.47Å; F42-I453 HydrophobicContact CD2-CG2 4.45Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3Å; F42-I453 HydrophobicContact CE2-CG2 4.01Å; F42-I453 HydrophobicContact CG-CG2 4.21Å; F42-I453 HydrophobicContact CZ-CG2 3.3Å; N450-I453 HydrophobicContact CB-CD1 4.19Å; P451-I453 PolarHBondContact O-N 3.12Å; P451-I453 VanDerWaalsContact O-N 3.08Å
454	I	87.6	Confident	81.9	Confident	3 Å²	3	62 Å²	62	2%	0.015	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-116.3	9.2	-173.3	59.2	165.6	0	0	0	113.4	P64 V313 I314 I317 I373 L447 P451 D452 G456	P64-I454 HydrophobicContact CB-CG2 4.07Å; P64-I454 HydrophobicContact CG-CG2 4.29Å; V313-I454 WeakPolarHBondContact CG1-O 3.48Å; I314-I454 HydrophobicContact CG1-CD1 4.28Å; I314-I454 HydrophobicContact CG1-CG1 4.19Å; I314-I454 WeakPolarHBondContact CG1-O 3.15Å; I314-I454 HydrophobicContact CG2-CD1 4.09Å; I317-I454 HydrophobicContact CD1-CB 3.59Å; I317-I454 HydrophobicContact CD1-CG2 3.67Å; I373-I454 HydrophobicContact CB-CD1 4.23Å; I373-I454 HydrophobicContact CD1-CD1 4.37Å; I373-I454 HydrophobicContact CG2-CD1 3.85Å; L447-I454 HydrophobicContact CB-CD1 4.46Å; L447-I454 HydrophobicContact CD1-CG2 4.41Å; L447-I454 HydrophobicContact CD2-CG2 3.77Å; P451-I454 WeakPolarHBondContact O-CG1 3.46Å; P451-I454 PolarHBondContact O-N 3.07Å; D452-I454 PolarHBondContact O-N 3.48Å; I454-G456 VanDerWaalsContact C-N 3.3Å; I454-G456 PolarHBondContact O-N 2.86Å
455	T	82.9	Confident	81.2	Confident	19 Å²	19	65.9 Å²	65.9	12%	0.117	36%	0.364	C	S	.	.			trans	-75.6	-13.4	-178.3	56.8	0	0	0	0	113.8	T310 I314 P451 D452	T310-T455 WeakPolarHBondContact CA-O 3.49Å; T310-T455 VanDerWaalsContact CB-O 3.23Å; T310-T455 WeakPolarHBondContact CB-O 3.39Å; T310-T455 WeakPolarHBondContact CG2-O 3.29Å; I314-T455 HydrophobicContact CD1-CG2 4.36Å; P451-T455 WeakPolarHBondContact O-CG2 3.31Å; P451-T455 PolarHBondContact O-N 2.97Å; D452-T455 PolarHBondContact O-N 3.33Å; D452-T455 PolarHBondContact O-OG1 3.19Å
456	G	76.7	Confident	80.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.01	35%	0.353	C	S	.	.			trans	73.8	-135.4	-179.1	0	0	0	0	0	112	P60 I454 S458	P60-G456 VanDerWaalsContact CB-O 3.3Å; P60-G456 WeakPolarHBondContact CB-O 3.23Å; P60-G456 WeakPolarHBondContact CG-O 3.45Å; I454-G456 VanDerWaalsContact C-N 3.3Å; I454-G456 PolarHBondContact O-N 2.86Å; G456-S458 PolarHBondContact O-N 3.06Å
457	F	63.5	Low	79.5	Confident	88 Å²	88	58.4 Å²	58.4	39%	0.386	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6.9	-170.4	-65.5	-74.7	0	0	0	115.6	D59 P60 L61	D59-F457 HydrophobicContact CB-CE1 4.17Å; D59-F457 HydrophobicContact CB-CZ 4.32Å; P60-F457 HydrophobicContact CG-CD1 3.98Å; P60-F457 HydrophobicContact CG-CE1 4.29Å; L61-F457 HydrophobicContact CB-CE2 3.72Å; L61-F457 HydrophobicContact CB-CZ 3.97Å; L61-F457 HydrophobicContact CD2-CE2 4.18Å; L61-F457 HydrophobicContact CG-CE2 4.49Å
458	S	52.1	Low	78.4	Confident	58 Å²	58	61.7 Å²	61.7	41%	0.406	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	36.2	-177.9	92.3	0	0	0	0	114.3	T310 G456	T310-S458 VanDerWaalsContact CG2-CB 3.41Å; T310-S458 WeakPolarHBondContact CG2-OG 3.33Å; G456-S458 PolarHBondContact O-N 3.06Å
459	S	41.3	Very low	77	Confident	119 Å²	119	64.2 Å²	64.2	83%	0.832	36%	0.364	S	S	*	.			trans	-86.5	0	162.4	62.2	0	0	0	0	110.7

Retrieved 459 of 459 residues in 1064.9 ms (Link to these results)

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