A0A3Q0KMN0_SCHMA Loading...

Coiled-coil domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	28.2	Very low	48.5	Very low	216 Å²	216	94.4 Å²	94.4	100%	1.064	50%	0.496	S	S	*	.				0	101.5	0	-149.4	172.8	-174.7	0	0	105.9	M3	M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.36Å
2	K	29.9	Very low	49.9	Very low	146 Å²	146	92.8 Å²	92.8	64%	0.635	49%	0.493	S	S	*	.			trans	-71.6	89.3	-176.3	-77.3	178.9	173.7	-178.1	0	108.6	S4 F56	K2-S4 PolarHBondContact O-N 3.15Å; K2-F56 HydrophobicContact CB-CD1 3.74Å; K2-F56 HydrophobicContact CB-CE1 3.96Å; K2-F56 HydrophobicContact CB-CG 4.24Å; K2-F56 HydrophobicContact CD-CB 4.33Å; K2-F56 HydrophobicContact CD-CD1 4.16Å; K2-F56 HydrophobicContact CD-CD2 3.84Å; K2-F56 HydrophobicContact CD-CE1 4.39Å; K2-F56 HydrophobicContact CD-CE2 4.04Å; K2-F56 HydrophobicContact CD-CG 3.89Å; K2-F56 HydrophobicContact CD-CZ 4.33Å; K2-F56 HydrophobicContact CG-CB 4.49Å; K2-F56 HydrophobicContact CG-CD1 4.31Å; K2-F56 HydrophobicContact CG-CG 4.31Å
3	M	29.7	Very low	51.1	Low	120 Å²	120	90 Å²	90	59%	0.591	48%	0.478	S	S	*	.			trans	-76.6	101.4	-178.6	-72.3	-107.3	-89.5	0	0	108.6	M1 I5	M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.36Å; M3-I5 PolarHBondContact O-N 3.33Å; M3-I5 VanDerWaalsContact O-N 3.11Å
4	S	40.4	Very low	52	Low	89 Å²	89	83.6 Å²	83.6	62%	0.622	44%	0.444	S	S	*	.			trans	-66.4	105.2	161.8	51.8	0	0	0	0	107.6	K2 T6	K2-S4 PolarHBondContact O-N 3.15Å; S4-T6 PolarHBondContact O-N 3.45Å
5	I	47.8	Very low	52.8	Low	53 Å²	53	82 Å²	82	27%	0.272	44%	0.439	S	S	.	.			trans	-65.7	119.2	173.4	-64.7	-175.3	0	0	0	107.7	M3 F10 L13 W62	M3-I5 PolarHBondContact O-N 3.33Å; M3-I5 VanDerWaalsContact O-N 3.11Å; I5-F10 HydrophobicContact CG2-CB 3.89Å; I5-L13 HydrophobicContact CD1-CD1 4.42Å; I5-W62 HydrophobicContact CD1-CB 3.29Å; I5-W62 HydrophobicContact CD1-CD2 4.38Å; I5-W62 HydrophobicContact CD1-CG 3.47Å; I5-W62 VanDerWaalsContact CD1-CG 3.47Å; I5-W62 HydrophobicContact CG1-CG 4.44Å
6	T	55.6	Low	53.8	Low	93 Å²	93	86.4 Å²	86.4	57%	0.571	46%	0.456	S	S	*	.			trans	-68.1	149.4	169.5	55.2	0	0	0	0	108.9	S4 L8 G9 F10	S4-T6 PolarHBondContact O-N 3.45Å; T6-L8 PolarHBondContact O-N 2.78Å; T6-L8 VanDerWaalsContact O-N 3.08Å; T6-G9 WeakPolarHBondContact O-CA 3.24Å; T6-G9 PolarHBondContact O-N 3.37Å; T6-G9 PolarHBondContact OG1-N 3.38Å; T6-F10 PolarHBondContact O-N 3.15Å
7	L	56.5	Low	54.4	Low	89 Å²	89	85.1 Å²	85.1	47%	0.466	45%	0.446	S	S	.	.	H	α-helix	trans	-53.8	-33	177.3	-163	113	0	0	0	111.7	F10 K11 T35 L38	L7-F10 PolarHBondContact O-N 3.16Å; L7-K11 PolarHBondContact O-N 3.39Å; L7-T35 HydrophobicContact CD2-CG2 4.3Å; L7-T35 HydrophobicContact CG-CG2 4.37Å; L7-L38 HydrophobicContact CD1-CD2 4.2Å
8	L	56.8	Low	54.7	Low	124 Å²	124	80.3 Å²	80.3	65%	0.649	42%	0.422	S	S	*	.	H	α-helix	trans	-65.3	-45.3	173.2	-168.6	70.2	0	0	0	112.3	T6 F10 K11 T12	T6-L8 PolarHBondContact O-N 2.78Å; T6-L8 VanDerWaalsContact O-N 3.08Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 3.22Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 3.38Å
9	G	62.3	Low	55.1	Low	19 Å²	19	77.8 Å²	77.8	20%	0.196	42%	0.417	C	S	.	.	H	α-helix	trans	-63.3	-35.8	175.8	0	0	0	0	0	113.1	T6 T12 L13	T6-G9 WeakPolarHBondContact O-CA 3.24Å; T6-G9 PolarHBondContact O-N 3.37Å; T6-G9 PolarHBondContact OG1-N 3.38Å; G9-T12 VanDerWaalsContact CA-OG1 3.31Å; G9-T12 WeakPolarHBondContact CA-OG1 3.49Å; G9-T12 PolarHBondContact O-OG1 3.4Å; G9-L13 WeakPolarHBondContact O-CB 3.38Å; G9-L13 WeakPolarHBondContact O-CG 2.94Å; G9-L13 PolarHBondContact O-N 3.03Å
10	F	64	Low	55.2	Low	3 Å²	3	81.6 Å²	81.6	1%	0.013	44%	0.437	C	S	.	.	H	α-helix	trans	-63.7	-47.6	172.1	177.6	-101.9	0	0	0	111.1	I5 T6 L7 L8 T12 L13 L14 T35 L38 W62 I66 F100	I5-F10 HydrophobicContact CG2-CB 3.89Å; T6-F10 PolarHBondContact O-N 3.15Å; L7-F10 PolarHBondContact O-N 3.16Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 3.22Å; F10-T12 VanDerWaalsContact C-N 3.32Å; F10-T12 PolarHBondContact O-N 3.13Å; F10-L13 PolarHBondContact O-N 2.84Å; F10-L14 HydrophobicContact CD1-CD1 3.91Å; F10-L14 HydrophobicContact CE1-CD1 3.23Å; F10-L14 HydrophobicContact CE2-CD1 3.94Å; F10-L14 HydrophobicContact CZ-CD1 3.24Å; F10-L14 HydrophobicContact CZ-CG 4.44Å; F10-L14 WeakPolarHBondContact O-CB 3.25Å; F10-L14 PolarHBondContact O-N 3.35Å; F10-T35 HydrophobicContact CD1-CG2 4.19Å; F10-T35 HydrophobicContact CE1-CG2 4.4Å; F10-L38 HydrophobicContact CD1-CD2 4.44Å; F10-L38 HydrophobicContact CE2-CD1 4.35Å; F10-L38 HydrophobicContact CG-CD2 4.49Å; F10-L38 HydrophobicContact CZ-CD1 4.32Å; F10-W62 HydrophobicContact CE2-CE3 4.48Å; F10-W62 HydrophobicContact CE2-CZ3 4.28Å; F10-I66 HydrophobicContact CD2-CD1 3.74Å; F10-I66 HydrophobicContact CD2-CG1 4.13Å; F10-I66 HydrophobicContact CE2-CD1 3.96Å; F10-I66 HydrophobicContact CE2-CG1 3.81Å; F10-F100 HydrophobicContact CZ-CE2 4.24Å; F10-F100 HydrophobicContact CZ-CZ 4.26Å
11	K	62.6	Low	55.2	Low	86 Å²	86	81.3 Å²	81.3	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-57.3	-44.5	176.8	-178	169.9	-177.7	-178.7	0	111.6	L7 L8 L14 T15 I31	L7-K11 PolarHBondContact O-N 3.39Å; L8-K11 WeakPolarHBondContact O-CB 3.46Å; L8-K11 PolarHBondContact O-N 2.89Å; K11-L14 PolarHBondContact O-N 3.14Å; K11-T15 WeakPolarHBondContact O-CG2 3.48Å; K11-T15 PolarHBondContact O-N 3.03Å; K11-T15 PolarHBondContact O-OG1 3.4Å; K11-T15 VanDerWaalsContact O-OG1 3.09Å; K11-I31 HydrophobicContact CD-CG2 3.94Å; K11-I31 HydrophobicContact CG-CG2 3.67Å
12	T	64.6	Low	56.5	Low	75 Å²	75	71.5 Å²	71.5	46%	0.46	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-41.5	179.6	50.2	0	0	0	0	113	L8 G9 F10 T15 E16	L8-T12 PolarHBondContact O-N 3.27Å; L8-T12 PolarHBondContact O-OG1 3.38Å; G9-T12 VanDerWaalsContact CA-OG1 3.31Å; G9-T12 WeakPolarHBondContact CA-OG1 3.49Å; G9-T12 PolarHBondContact O-OG1 3.4Å; F10-T12 VanDerWaalsContact C-N 3.32Å; F10-T12 PolarHBondContact O-N 3.13Å; T12-T15 VanDerWaalsContact C-OG1 3.29Å; T12-T15 VanDerWaalsContact CA-OG1 3.25Å; T12-T15 WeakPolarHBondContact CA-OG1 3.12Å; T12-T15 PolarHBondContact O-N 3.4Å; T12-T15 PolarHBondContact O-OG1 2.95Å; T12-E16 WeakPolarHBondContact O-CB 3.49Å; T12-E16 PolarHBondContact O-N 2.98Å
13	L	65.8	Low	57.9	Low	57 Å²	57	66.7 Å²	66.7	30%	0.298	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-39.7	176.8	-78.7	164.1	0	0	0	111.9	I5 G9 F10 E16 E17 I66	I5-L13 HydrophobicContact CD1-CD1 4.42Å; G9-L13 WeakPolarHBondContact O-CB 3.38Å; G9-L13 WeakPolarHBondContact O-CG 2.94Å; G9-L13 PolarHBondContact O-N 3.03Å; F10-L13 PolarHBondContact O-N 2.84Å; L13-E16 PolarHBondContact O-N 3.29Å; L13-E17 PolarHBondContact O-N 3.5Å; L13-E17 VanDerWaalsContact O-N 3.07Å; L13-I66 HydrophobicContact CB-CD1 3.74Å; L13-I66 HydrophobicContact CD1-CD1 4.07Å
14	L	63.9	Low	59.3	Low	1 Å²	1	68.3 Å²	68.3	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-43.4	175	-111.6	158.6	0	0	0	111.9	F10 K11 E16 E17 L18 I66 F69	F10-L14 HydrophobicContact CD1-CD1 3.91Å; F10-L14 HydrophobicContact CE1-CD1 3.23Å; F10-L14 HydrophobicContact CE2-CD1 3.94Å; F10-L14 HydrophobicContact CZ-CD1 3.24Å; F10-L14 HydrophobicContact CZ-CG 4.44Å; F10-L14 WeakPolarHBondContact O-CB 3.25Å; F10-L14 PolarHBondContact O-N 3.35Å; K11-L14 PolarHBondContact O-N 3.14Å; L14-E16 VanDerWaalsContact C-N 3.32Å; L14-E16 PolarHBondContact O-N 3.43Å; L14-E17 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CD2-CD1 3.49Å; L14-L18 VanDerWaalsContact CD2-CD1 3.49Å; L14-L18 HydrophobicContact CD2-CG 4.26Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 WeakPolarHBondContact O-CD1 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.24Å; L14-I66 HydrophobicContact CG-CG2 4.12Å; L14-F69 HydrophobicContact CD2-CD1 4.04Å; L14-F69 HydrophobicContact CD2-CE1 4.15Å
15	T	64.1	Low	60.3	Low	59 Å²	59	70.7 Å²	70.7	36%	0.362	40%	0.397	S	S	.	.	H	α-helix	trans	-62.3	-39.7	176.4	44.9	0	0	0	0	112.2	K11 T12 I31	K11-T15 WeakPolarHBondContact O-CG2 3.48Å; K11-T15 PolarHBondContact O-N 3.03Å; K11-T15 PolarHBondContact O-OG1 3.4Å; K11-T15 VanDerWaalsContact O-OG1 3.09Å; T12-T15 VanDerWaalsContact C-OG1 3.29Å; T12-T15 VanDerWaalsContact CA-OG1 3.25Å; T12-T15 WeakPolarHBondContact CA-OG1 3.12Å; T12-T15 PolarHBondContact O-N 3.4Å; T12-T15 PolarHBondContact O-OG1 2.95Å; T15-I31 HydrophobicContact CG2-CD1 3.38Å
16	E	68.9	Low	60.9	Low	152 Å²	152	70 Å²	70	71%	0.71	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-43.2	179.2	-168	177.1	-176.9	0	0	111.4	T12 L13 L14 G19	T12-E16 WeakPolarHBondContact O-CB 3.49Å; T12-E16 PolarHBondContact O-N 2.98Å; L13-E16 PolarHBondContact O-N 3.29Å; L14-E16 VanDerWaalsContact C-N 3.32Å; L14-E16 PolarHBondContact O-N 3.43Å; E16-G19 PolarHBondContact O-N 3.06Å
17	E	64.4	Low	61.3	Low	64 Å²	64	67.2 Å²	67.2	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-75.9	-32.3	-179	-78.6	-70.1	178	0	0	114.1	L13 L14 G19 I66 K67 A70 K74	L13-E17 PolarHBondContact O-N 3.5Å; L13-E17 VanDerWaalsContact O-N 3.07Å; L14-E17 PolarHBondContact O-N 3.46Å; E17-G19 PolarHBondContact O-N 3.34Å; E17-I66 HydrophobicContact CB-CG2 4.27Å; E17-I66 HydrophobicContact CG-CG2 4.18Å; E17-K67 HydrophobicContact CG-CG 4.35Å; E17-K67 WeakPolarHBondContact OE1-CE 3.37Å; E17-K67 WeakPolarHBondContact OE1-CG 3.4Å; E17-A70 HydrophobicContact CB-CB 3.95Å; E17-K74 VanDerWaalsContact O-CE 3.3Å; E17-K74 WeakPolarHBondContact O-CE 3.47Å; E17-K74 PolarHBondContact O-NZ 2.92Å
18	L	59.6	Low	61.8	Low	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-16.2	174.5	-81	155.4	0	0	0	112.2	L14 S21 I31 V73	L14-L18 HydrophobicContact CD2-CD1 3.49Å; L14-L18 VanDerWaalsContact CD2-CD1 3.49Å; L14-L18 HydrophobicContact CD2-CG 4.26Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 WeakPolarHBondContact O-CD1 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.39Å; L14-L18 PolarHBondContact O-N 3.24Å; L18-S21 PolarHBondContact O-OG 3.24Å; L18-I31 HydrophobicContact CD1-CG1 4.46Å; L18-V73 HydrophobicContact CD2-CB 4.36Å; L18-V73 HydrophobicContact CD2-CG1 3.75Å
19	G	62.2	Low	62.2	Low	32 Å²	32	65 Å²	65	33%	0.33	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-151.1	176.5	0	0	0	0	0	111.9	E16 E17 R27	E16-G19 PolarHBondContact O-N 3.06Å; E17-G19 PolarHBondContact O-N 3.34Å; G19-R27 VanDerWaalsContact O-CZ 3.28Å; G19-R27 PolarHBondContact O-NH1 3.39Å
20	D	57.7	Low	62.4	Low	154 Å²	154	64.3 Å²	64.3	82%	0.824	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	8.5	174.8	-77.9	-36.8	0	0	0	114.8	L22 R27	D20-L22 PolarHBondContact O-N 2.77Å; D20-R27 VanDerWaalsContact CA-NH1 3.3Å; D20-R27 PolarHBondContact O-NH1 3.45Å; D20-R27 PolarHBondContact O-NH2 3.16Å; D20-R27 IonicContact OD1-NH2 3.34Å; D20-R27 PolarHBondContact OD1-NH2 2.94Å
21	S	54.5	Low	62.6	Low	76 Å²	76	64.3 Å²	64.3	53%	0.531	35%	0.352	S	S	.	.			trans	-72.1	-18.4	-168.3	63	0	0	0	0	117.5	L18	L18-S21 PolarHBondContact O-OG 3.24Å
22	L	55.2	Low	63	Low	10 Å²	10	63 Å²	63	5%	0.052	35%	0.354	C	S	.	.	S	Bend	trans	-110	150.8	179.2	-108.7	76.1	0	0	0	110.6	D20 L26 R27 V30 F77	D20-L22 PolarHBondContact O-N 2.77Å; L22-L26 HydrophobicContact CB-CB 4.39Å; L22-L26 HydrophobicContact CD2-CB 3.58Å; L22-L26 HydrophobicContact CG-CB 4.1Å; L22-L26 HydrophobicContact CG-CD1 4.39Å; L22-R27 HydrophobicContact CB-CG 3.77Å; L22-R27 VanDerWaalsContact N-NH1 3.1Å; L22-R27 PolarHBondContact O-NE 3.36Å; L22-R27 PolarHBondContact O-NH1 3.16Å; L22-R27 PolarHBondContact O-NH2 3.41Å; L22-V30 HydrophobicContact CD2-CG2 4.41Å; L22-F77 HydrophobicContact CD1-CB 3.99Å; L22-F77 HydrophobicContact CD1-CD2 3.69Å; L22-F77 HydrophobicContact CD1-CE2 4.41Å; L22-F77 HydrophobicContact CD1-CG 3.91Å; L22-F77 HydrophobicContact CD2-CD2 3.97Å; L22-F77 HydrophobicContact CD2-CE2 3.84Å; L22-F77 HydrophobicContact CD2-CZ 4.27Å; L22-F77 HydrophobicContact CG-CD2 4.19Å; L22-F77 HydrophobicContact CG-CG 4.35Å
23	G	60.1	Low	63.1	Low	44 Å²	44	61.4 Å²	61.4	45%	0.454	34%	0.341	S	S	.	.			trans	-55.8	146.1	166.1	0	0	0	0	0	111.5	D25 L26 R27	G23-D25 PolarHBondContact O-N 3.27Å; G23-D25 VanDerWaalsContact O-N 3.17Å; G23-L26 PolarHBondContact O-N 2.81Å; G23-R27 PolarHBondContact O-N 3.42Å
24	E	58.7	Low	63.2	Low	155 Å²	155	59 Å²	59	72%	0.724	33%	0.328	S	S	*	.	H	α-helix	trans	-52.6	-39.4	-178	-77.2	-163.7	147.1	0	0	112.7	R27 Q28	E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.87Å; E24-Q28 PolarHBondContact O-N 3.37Å
25	D	60.6	Low	63.3	Low	138 Å²	138	59.9 Å²	59.9	74%	0.738	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-45.6	178.1	-66.5	-27.8	0	0	0	112.2	G23 R27 Q28 V29	G23-D25 PolarHBondContact O-N 3.27Å; G23-D25 VanDerWaalsContact O-N 3.17Å; D25-R27 VanDerWaalsContact C-N 3.33Å; D25-R27 PolarHBondContact O-N 2.86Å; D25-Q28 PolarHBondContact O-N 3.47Å; D25-V29 WeakPolarHBondContact O-CG2 3.42Å; D25-V29 PolarHBondContact O-N 3.43Å; D25-V29 VanDerWaalsContact O-N 3.09Å
26	L	60.5	Low	63.5	Low	39 Å²	39	61 Å²	61	20%	0.204	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-38.7	178.7	-62.8	175.2	0	0	0	110.8	L22 G23 V29 V30 F77 F89	L22-L26 HydrophobicContact CB-CB 4.39Å; L22-L26 HydrophobicContact CD2-CB 3.58Å; L22-L26 HydrophobicContact CG-CB 4.1Å; L22-L26 HydrophobicContact CG-CD1 4.39Å; G23-L26 PolarHBondContact O-N 2.81Å; L26-V29 PolarHBondContact O-N 3.09Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.14Å; L26-F77 HydrophobicContact CD1-CD1 4.49Å; L26-F77 HydrophobicContact CD1-CE1 4.17Å; L26-F89 HydrophobicContact CD2-CD1 4.35Å; L26-F89 HydrophobicContact CD2-CD2 3.61Å; L26-F89 HydrophobicContact CD2-CE1 3.98Å; L26-F89 HydrophobicContact CD2-CE2 3.25Å; L26-F89 HydrophobicContact CD2-CG 4.18Å; L26-F89 HydrophobicContact CD2-CZ 3.46Å; L26-F89 VanDerWaalsContact CD2-CZ 3.46Å
27	R	63.6	Low	63.4	Low	35 Å²	35	54.3 Å²	54.3	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-50.7	174.8	-65.4	-173.6	-132.8	-82.6	7.7	110.8	G19 D20 L22 G23 E24 D25 V29 V30 I31	G19-R27 VanDerWaalsContact O-CZ 3.28Å; G19-R27 PolarHBondContact O-NH1 3.39Å; D20-R27 VanDerWaalsContact CA-NH1 3.3Å; D20-R27 PolarHBondContact O-NH1 3.45Å; D20-R27 PolarHBondContact O-NH2 3.16Å; D20-R27 IonicContact OD1-NH2 3.34Å; D20-R27 PolarHBondContact OD1-NH2 2.94Å; L22-R27 HydrophobicContact CB-CG 3.77Å; L22-R27 VanDerWaalsContact N-NH1 3.1Å; L22-R27 PolarHBondContact O-NE 3.36Å; L22-R27 PolarHBondContact O-NH1 3.16Å; L22-R27 PolarHBondContact O-NH2 3.41Å; G23-R27 PolarHBondContact O-N 3.42Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.87Å; D25-R27 VanDerWaalsContact C-N 3.33Å; D25-R27 PolarHBondContact O-N 2.86Å; R27-V29 VanDerWaalsContact C-N 3.3Å; R27-V29 PolarHBondContact O-N 3.43Å; R27-V30 PolarHBondContact O-N 3.44Å; R27-I31 HydrophobicContact CB-CD1 4.42Å; R27-I31 WeakPolarHBondContact O-CB 3.4Å; R27-I31 VanDerWaalsContact O-CD1 3.3Å; R27-I31 WeakPolarHBondContact O-CD1 3.47Å; R27-I31 WeakPolarHBondContact O-CG1 3.29Å; R27-I31 PolarHBondContact O-N 2.82Å
28	Q	66.8	Low	63.5	Low	111 Å²	111	52.8 Å²	52.8	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-62.5	-38.4	-177.5	-69.5	-61.7	-15.4	0	0	111.9	E24 D25 S32	E24-Q28 PolarHBondContact O-N 3.37Å; D25-Q28 PolarHBondContact O-N 3.47Å; Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 2.95Å
29	V	66.7	Low	63.7	Low	54 Å²	54	58.1 Å²	58.1	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-68.3	-46	178	175.8	0	0	0	0	112	D25 L26 R27 I31 S32 K33 F89	D25-V29 WeakPolarHBondContact O-CG2 3.42Å; D25-V29 PolarHBondContact O-N 3.43Å; D25-V29 VanDerWaalsContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 3.09Å; R27-V29 VanDerWaalsContact C-N 3.3Å; R27-V29 PolarHBondContact O-N 3.43Å; V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 3.18Å; V29-S32 PolarHBondContact O-N 3.33Å; V29-K33 WeakPolarHBondContact O-CB 3.21Å; V29-K33 PolarHBondContact O-N 2.95Å; V29-F89 HydrophobicContact CB-CE1 3.99Å; V29-F89 HydrophobicContact CB-CZ 3.81Å; V29-F89 HydrophobicContact CG1-CE1 3.6Å; V29-F89 HydrophobicContact CG1-CZ 3.56Å; V29-F89 HydrophobicContact CG2-CE1 4.15Å; V29-F89 HydrophobicContact CG2-CZ 4.4Å
30	V	66.7	Low	64	Low	5 Å²	5	61.3 Å²	61.3	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-43.3	177.5	172.8	0	0	0	0	110.4	L22 L26 R27 K33 T34 F69 I96	L22-V30 HydrophobicContact CD2-CG2 4.41Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.35Å; L26-V30 PolarHBondContact O-N 3.14Å; R27-V30 PolarHBondContact O-N 3.44Å; V30-K33 PolarHBondContact O-N 3.05Å; V30-T34 HydrophobicContact CG1-CG2 4.33Å; V30-T34 WeakPolarHBondContact O-CB 3.32Å; V30-T34 VanDerWaalsContact O-CG2 3.25Å; V30-T34 WeakPolarHBondContact O-CG2 3.25Å; V30-T34 PolarHBondContact O-N 3.3Å; V30-T34 PolarHBondContact O-OG1 3.2Å; V30-F69 HydrophobicContact CG1-CE1 4.13Å; V30-F69 HydrophobicContact CG1-CZ 4.35Å; V30-I96 HydrophobicContact CG2-CD1 4.27Å
31	I	68.2	Low	64.2	Low	3 Å²	3	54.5 Å²	54.5	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-50	177.9	-69.3	163.5	0	0	0	111.3	K11 T15 L18 R27 V29 K33 T34 T35	K11-I31 HydrophobicContact CD-CG2 3.94Å; K11-I31 HydrophobicContact CG-CG2 3.67Å; T15-I31 HydrophobicContact CG2-CD1 3.38Å; L18-I31 HydrophobicContact CD1-CG1 4.46Å; R27-I31 HydrophobicContact CB-CD1 4.42Å; R27-I31 WeakPolarHBondContact O-CB 3.4Å; R27-I31 VanDerWaalsContact O-CD1 3.3Å; R27-I31 WeakPolarHBondContact O-CD1 3.47Å; R27-I31 WeakPolarHBondContact O-CG1 3.29Å; R27-I31 PolarHBondContact O-N 2.82Å; V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 3.18Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.45Å; I31-T34 WeakPolarHBondContact CA-OG1 3.35Å; I31-T34 PolarHBondContact O-N 3.48Å; I31-T34 PolarHBondContact O-OG1 3.34Å; I31-T35 WeakPolarHBondContact O-CG2 3.46Å; I31-T35 PolarHBondContact O-N 2.94Å; I31-T35 PolarHBondContact O-OG1 3.01Å
32	S	70.3	Confident	64.4	Low	60 Å²	60	57.4 Å²	57.4	42%	0.42	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-45.7	178.9	-178.8	0	0	0	0	111	Q28 V29 T35 Q36	Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 2.95Å; V29-S32 PolarHBondContact O-N 3.33Å; S32-T35 PolarHBondContact O-N 3.37Å; S32-T35 PolarHBondContact O-OG1 3.33Å; S32-Q36 WeakPolarHBondContact O-CG 3.39Å; S32-Q36 PolarHBondContact O-N 2.75Å; S32-Q36 VanDerWaalsContact O-N 3.07Å
33	K	67.6	Low	64.5	Low	41 Å²	41	62 Å²	62	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-72.1	-39.5	-177.6	-162.3	70	-146.7	178.1	0	113.8	V29 V30 I31 T35 Q36 E37 R97	V29-K33 WeakPolarHBondContact O-CB 3.21Å; V29-K33 PolarHBondContact O-N 2.95Å; V30-K33 PolarHBondContact O-N 3.05Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.45Å; K33-T35 VanDerWaalsContact C-N 3.3Å; K33-T35 PolarHBondContact O-N 3.4Å; K33-Q36 PolarHBondContact O-N 3.45Å; K33-E37 PolarHBondContact O-N 2.78Å; K33-R97 HydrophobicContact CG-CG 3.89Å
34	T	66	Low	64.2	Low	6 Å²	6	63.6 Å²	63.6	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-39	174.4	48.5	0	0	0	0	111.4	V30 I31 E37 L38 F69	V30-T34 HydrophobicContact CG1-CG2 4.33Å; V30-T34 WeakPolarHBondContact O-CB 3.32Å; V30-T34 VanDerWaalsContact O-CG2 3.25Å; V30-T34 WeakPolarHBondContact O-CG2 3.25Å; V30-T34 PolarHBondContact O-N 3.3Å; V30-T34 PolarHBondContact O-OG1 3.2Å; I31-T34 WeakPolarHBondContact CA-OG1 3.35Å; I31-T34 PolarHBondContact O-N 3.48Å; I31-T34 PolarHBondContact O-OG1 3.34Å; T34-E37 PolarHBondContact O-N 2.85Å; T34-L38 WeakPolarHBondContact O-CB 3.48Å; T34-L38 PolarHBondContact O-N 3.45Å; T34-F69 HydrophobicContact CG2-CE1 3.57Å; T34-F69 HydrophobicContact CG2-CE2 4.38Å; T34-F69 HydrophobicContact CG2-CZ 3.43Å; T34-F69 VanDerWaalsContact CG2-CZ 3.43Å
35	T	67	Low	63.6	Low	20 Å²	20	58 Å²	58	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-40.6	173.9	56.7	0	0	0	0	113.2	L7 F10 I31 S32 K33 L38 E39	L7-T35 HydrophobicContact CD2-CG2 4.3Å; L7-T35 HydrophobicContact CG-CG2 4.37Å; F10-T35 HydrophobicContact CD1-CG2 4.19Å; F10-T35 HydrophobicContact CE1-CG2 4.4Å; I31-T35 WeakPolarHBondContact O-CG2 3.46Å; I31-T35 PolarHBondContact O-N 2.94Å; I31-T35 PolarHBondContact O-OG1 3.01Å; S32-T35 PolarHBondContact O-N 3.37Å; S32-T35 PolarHBondContact O-OG1 3.33Å; K33-T35 VanDerWaalsContact C-N 3.3Å; K33-T35 PolarHBondContact O-N 3.4Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 PolarHBondContact O-N 2.79Å; T35-E39 PolarHBondContact O-N 3.24Å; T35-E39 VanDerWaalsContact O-N 3.08Å
36	Q	69.1	Low	63	Low	83 Å²	83	56 Å²	56	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.8	-75.2	179.6	-3.8	0	0	112.8	S32 K33 E39 K40	S32-Q36 WeakPolarHBondContact O-CG 3.39Å; S32-Q36 PolarHBondContact O-N 2.75Å; S32-Q36 VanDerWaalsContact O-N 3.07Å; K33-Q36 PolarHBondContact O-N 3.45Å; Q36-E39 PolarHBondContact O-N 2.83Å; Q36-K40 PolarHBondContact O-N 3.09Å
37	E	66.3	Low	62.3	Low	11 Å²	11	59 Å²	59	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-72.4	-34.5	178.5	-69.8	-59.4	130.7	0	0	112	K33 T34 E39 K40 I41 R97 F100 R101	K33-E37 PolarHBondContact O-N 2.78Å; T34-E37 PolarHBondContact O-N 2.85Å; E37-E39 PolarHBondContact O-N 2.76Å; E37-K40 PolarHBondContact O-N 2.92Å; E37-K40 IonicContact OE1-NZ 3.32Å; E37-K40 PolarHBondContact OE1-NZ 3Å; E37-I41 VanDerWaalsContact O-CG1 3.32Å; E37-I41 WeakPolarHBondContact O-CG1 3.48Å; E37-I41 PolarHBondContact O-N 3.34Å; E37-R97 HydrophobicContact CG-CG 4.43Å; E37-F100 HydrophobicContact CB-CD1 4.29Å; E37-F100 HydrophobicContact CB-CE1 4.49Å; E37-R101 IonicContact OE2-NH2 2.73Å; E37-R101 PolarHBondContact OE2-NH2 2.91Å
38	L	65.1	Low	61.2	Low	31 Å²	31	61.5 Å²	61.5	16%	0.162	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-40.7	171	-163.3	92	0	0	0	111.2	L7 F10 T34 T35 I41 K42 W62 F100	L7-L38 HydrophobicContact CD1-CD2 4.2Å; F10-L38 HydrophobicContact CD1-CD2 4.44Å; F10-L38 HydrophobicContact CE2-CD1 4.35Å; F10-L38 HydrophobicContact CG-CD2 4.49Å; F10-L38 HydrophobicContact CZ-CD1 4.32Å; T34-L38 WeakPolarHBondContact O-CB 3.48Å; T34-L38 PolarHBondContact O-N 3.45Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 PolarHBondContact O-N 2.79Å; L38-I41 PolarHBondContact O-N 3.01Å; L38-K42 VanDerWaalsContact O-CB 3.32Å; L38-K42 WeakPolarHBondContact O-CB 3.28Å; L38-K42 PolarHBondContact O-N 3.42Å; L38-W62 HydrophobicContact CD1-CH2 3.42Å; L38-W62 VanDerWaalsContact CD1-CH2 3.42Å; L38-W62 HydrophobicContact CD1-CZ2 4.3Å; L38-W62 HydrophobicContact CD1-CZ3 3.85Å; L38-F100 HydrophobicContact CD1-CZ 3.98Å
39	E	65.8	Low	59.8	Low	112 Å²	112	63 Å²	63	52%	0.523	33%	0.326	S	S	.	.	H	α-helix	trans	-66.8	-42.1	177.3	-167.9	164.1	-153.1	0	0	111.9	T35 Q36 E37 K42 Q43	T35-E39 PolarHBondContact O-N 3.24Å; T35-E39 VanDerWaalsContact O-N 3.08Å; Q36-E39 PolarHBondContact O-N 2.83Å; E37-E39 PolarHBondContact O-N 2.76Å; E39-K42 WeakPolarHBondContact O-CB 3.22Å; E39-K42 PolarHBondContact O-N 3.12Å; E39-Q43 WeakPolarHBondContact O-CG 3.41Å; E39-Q43 PolarHBondContact O-N 3.28Å
40	K	67.9	Low	58.4	Low	100 Å²	100	69.4 Å²	69.4	44%	0.435	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-46.1	173.1	-73.4	-177.6	-174.1	168.7	0	112.8	Q36 E37 K42 Q43 E44	Q36-K40 PolarHBondContact O-N 3.09Å; E37-K40 PolarHBondContact O-N 2.92Å; E37-K40 IonicContact OE1-NZ 3.32Å; E37-K40 PolarHBondContact OE1-NZ 3Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.49Å; K40-Q43 WeakPolarHBondContact O-CB 3.41Å; K40-Q43 PolarHBondContact O-N 3.2Å; K40-Q43 VanDerWaalsContact O-N 3.13Å; K40-E44 PolarHBondContact O-N 3.48Å
41	I	61	Low	56.9	Low	11 Å²	11	75.1 Å²	75.1	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-40.2	178.4	-67.4	168.9	0	0	0	110	E37 L38 Q43 E44 V45 F100 V104	E37-I41 VanDerWaalsContact O-CG1 3.32Å; E37-I41 WeakPolarHBondContact O-CG1 3.48Å; E37-I41 PolarHBondContact O-N 3.34Å; L38-I41 PolarHBondContact O-N 3.01Å; I41-Q43 VanDerWaalsContact C-N 3.29Å; I41-Q43 PolarHBondContact O-N 3.34Å; I41-E44 PolarHBondContact O-N 2.82Å; I41-V45 HydrophobicContact CG2-CG2 4.19Å; I41-V45 WeakPolarHBondContact O-CB 3.48Å; I41-V45 VanDerWaalsContact O-CG2 3.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.48Å; I41-V45 PolarHBondContact O-N 3.13Å; I41-F100 HydrophobicContact CD1-CD1 4.42Å; I41-F100 HydrophobicContact CD1-CE1 4.08Å; I41-V104 HydrophobicContact CD1-CB 4.19Å; I41-V104 HydrophobicContact CD1-CG1 4.02Å; I41-V104 HydrophobicContact CD1-CG2 4.23Å; I41-V104 HydrophobicContact CG2-CG1 4.14Å
42	K	59.4	Low	55.2	Low	136 Å²	136	79.7 Å²	79.7	59%	0.591	42%	0.415	S	S	*	.	H	α-helix	trans	-58.3	-43.1	173.9	-174.6	-174.8	174.1	-169.3	0	111.1	L38 E39 K40 I46	L38-K42 VanDerWaalsContact O-CB 3.32Å; L38-K42 WeakPolarHBondContact O-CB 3.28Å; L38-K42 PolarHBondContact O-N 3.42Å; E39-K42 WeakPolarHBondContact O-CB 3.22Å; E39-K42 PolarHBondContact O-N 3.12Å; K40-K42 VanDerWaalsContact C-N 3.29Å; K40-K42 PolarHBondContact O-N 3.49Å; K42-I46 HydrophobicContact CG-CD1 3.96Å; K42-I46 WeakPolarHBondContact O-CB 3.49Å; K42-I46 WeakPolarHBondContact O-CD1 3.2Å; K42-I46 WeakPolarHBondContact O-CG1 3.25Å; K42-I46 PolarHBondContact O-N 3.31Å
43	Q	56.8	Low	53.7	Low	107 Å²	107	86.5 Å²	86.5	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-66.1	-46.8	175.5	-66.3	-64.9	-9.1	0	0	112.3	E39 K40 I41 V45 I46 C47	E39-Q43 WeakPolarHBondContact O-CG 3.41Å; E39-Q43 PolarHBondContact O-N 3.28Å; K40-Q43 WeakPolarHBondContact O-CB 3.41Å; K40-Q43 PolarHBondContact O-N 3.2Å; K40-Q43 VanDerWaalsContact O-N 3.13Å; I41-Q43 VanDerWaalsContact C-N 3.29Å; I41-Q43 PolarHBondContact O-N 3.34Å; Q43-V45 VanDerWaalsContact C-N 3.28Å; Q43-V45 PolarHBondContact O-N 3.01Å; Q43-I46 PolarHBondContact O-N 3.24Å; Q43-C47 PolarHBondContact O-N 3.45Å; Q43-C47 PolarHBondContact O-SG 2.96Å; Q43-C47 VanDerWaalsContact O-SG 3.38Å
44	E	53.5	Low	52.1	Low	78 Å²	78	88.3 Å²	88.3	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-57.4	-40.6	177	-77.9	179	-179.4	0	0	112	K40 I41 C47 S48 R101	K40-E44 PolarHBondContact O-N 3.48Å; I41-E44 PolarHBondContact O-N 2.82Å; E44-C47 PolarHBondContact O-N 2.92Å; E44-S48 WeakPolarHBondContact O-CB 3.16Å; E44-S48 PolarHBondContact O-N 3.22Å; E44-S48 VanDerWaalsContact O-N 3.12Å; E44-S48 PolarHBondContact O-OG 3.49Å; E44-R101 IonicContact OE1-NH1 3.83Å
45	V	45.8	Very low	50.8	Low	36 Å²	36	91.9 Å²	91.9	22%	0.218	47%	0.47	C	S	.	.	H	α-helix	trans	-73	-39	179.3	176.2	0	0	0	0	111.8	I41 Q43 C47 S48 F49 F55	I41-V45 HydrophobicContact CG2-CG2 4.19Å; I41-V45 WeakPolarHBondContact O-CB 3.48Å; I41-V45 VanDerWaalsContact O-CG2 3.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.48Å; I41-V45 PolarHBondContact O-N 3.13Å; Q43-V45 VanDerWaalsContact C-N 3.28Å; Q43-V45 PolarHBondContact O-N 3.01Å; V45-C47 VanDerWaalsContact C-N 3.29Å; V45-C47 PolarHBondContact O-N 3.3Å; V45-S48 PolarHBondContact O-N 2.87Å; V45-S48 VanDerWaalsContact O-N 3.09Å; V45-F49 HydrophobicContact CG1-CD2 4.16Å; V45-F49 PolarHBondContact O-N 3.34Å; V45-F49 VanDerWaalsContact O-N 3.14Å; V45-F55 HydrophobicContact CB-CD2 4.48Å; V45-F55 HydrophobicContact CG1-CD2 3.91Å; V45-F55 HydrophobicContact CG1-CE2 4.26Å; V45-F55 HydrophobicContact CG2-CD2 4.44Å; V45-F55 HydrophobicContact CG2-CE2 4.03Å
46	I	49.2	Very low	49.6	Very low	96 Å²	96	94.7 Å²	94.7	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-41.8	173.8	-71	165.2	0	0	0	110.3	K42 Q43 S48	K42-I46 HydrophobicContact CG-CD1 3.96Å; K42-I46 WeakPolarHBondContact O-CB 3.49Å; K42-I46 WeakPolarHBondContact O-CD1 3.2Å; K42-I46 WeakPolarHBondContact O-CG1 3.25Å; K42-I46 PolarHBondContact O-N 3.31Å; Q43-I46 PolarHBondContact O-N 3.24Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.36Å
47	C	44.9	Very low	48.5	Very low	103 Å²	103	91.1 Å²	91.1	70%	0.696	46%	0.464	S	S	*	.	H	α-helix	trans	-66.7	-26.5	175.2	-67.1	0	0	0	0	113.5	Q43 E44 V45	Q43-C47 PolarHBondContact O-N 3.45Å; Q43-C47 PolarHBondContact O-SG 2.96Å; Q43-C47 VanDerWaalsContact O-SG 3.38Å; E44-C47 PolarHBondContact O-N 2.92Å; V45-C47 VanDerWaalsContact C-N 3.29Å; V45-C47 PolarHBondContact O-N 3.3Å
48	S	41.6	Very low	47.8	Very low	88 Å²	88	94.7 Å²	94.7	62%	0.615	48%	0.484	S	S	*	.	H	α-helix	trans	-86	-21.9	-175.8	-58.7	0	0	0	0	113.7	E44 V45 I46	E44-S48 WeakPolarHBondContact O-CB 3.16Å; E44-S48 PolarHBondContact O-N 3.22Å; E44-S48 VanDerWaalsContact O-N 3.12Å; E44-S48 PolarHBondContact O-OG 3.49Å; V45-S48 PolarHBondContact O-N 2.87Å; V45-S48 VanDerWaalsContact O-N 3.09Å; I46-S48 VanDerWaalsContact C-N 3.26Å; I46-S48 PolarHBondContact O-N 3.36Å
49	F	36.7	Very low	47.3	Very low	141 Å²	141	94.6 Å²	94.6	62%	0.618	49%	0.491	S	S	*	.			trans	-128.9	83.7	-176.5	-72.4	-87.1	0	0	0	110.5	V45 D51	V45-F49 HydrophobicContact CG1-CD2 4.16Å; V45-F49 PolarHBondContact O-N 3.34Å; V45-F49 VanDerWaalsContact O-N 3.14Å; F49-D51 PolarHBondContact O-N 3.3Å
50	E	37.1	Very low	46.9	Very low	189 Å²	189	93.9 Å²	93.9	88%	0.883	49%	0.494	S	S	*	.	S	Bend	trans	-62.3	-21.5	164.2	-75.2	-174.2	148.7	0	0	111.6
51	D	34.9	Very low	46.5	Very low	125 Å²	125	91.3 Å²	91.3	67%	0.668	48%	0.483	S	S	*	.	S	Bend	trans	-110.1	109.7	-176.7	-71.7	-37.8	0	0	0	112.8	F49	F49-D51 PolarHBondContact O-N 3.3Å
52	S	33.2	Very low	46.6	Very low	100 Å²	100	91.9 Å²	91.9	70%	0.699	49%	0.485	S	S	*	.	S	Bend	trans	47	92.5	144.7	67.4	0	0	0	0	118.4
53	K	38.3	Very low	46.9	Very low	202 Å²	202	87 Å²	87	88%	0.878	47%	0.468	S	S	*	.			trans	156.3	91.2	138.8	-85.9	160.7	-171.3	-179.9	0	106.5
54	S	34.9	Very low	47.3	Very low	80 Å²	80	85.7 Å²	85.7	56%	0.559	46%	0.464	S	S	*	.			trans	-40	138.9	171.1	16.9	0	0	0	0	111.5	F56	S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 WeakPolarHBondContact O-CD2 3.31Å; S54-F56 PolarHBondContact O-N 2.88Å; S54-F56 WeakPolarHBondContact OG-CE2 3.43Å
55	F	37.3	Very low	47.9	Very low	80 Å²	80	82.1 Å²	82.1	35%	0.351	45%	0.448	S	S	.	.			trans	-52.1	85.2	176.1	-151.2	-93.1	0	0	0	110.6	V45 L57 W62	V45-F55 HydrophobicContact CB-CD2 4.48Å; V45-F55 HydrophobicContact CG1-CD2 3.91Å; V45-F55 HydrophobicContact CG1-CE2 4.26Å; V45-F55 HydrophobicContact CG2-CD2 4.44Å; V45-F55 HydrophobicContact CG2-CE2 4.03Å; F55-L57 HydrophobicContact CE1-CD1 4.23Å; F55-W62 HydrophobicContact CD1-CZ2 4.14Å; F55-W62 HydrophobicContact CE1-CH2 4.23Å; F55-W62 AromaticContact CE1-CZ2 3.56Å; F55-W62 HydrophobicContact CE1-CZ2 3.56Å
56	F	41.8	Very low	48.9	Very low	80 Å²	80	80.6 Å²	80.6	35%	0.351	44%	0.438	S	S	.	.			trans	-110.4	76	176.1	-69.5	-64.7	0	0	0	107.1	K2 S54 D58	K2-F56 HydrophobicContact CB-CD1 3.74Å; K2-F56 HydrophobicContact CB-CE1 3.96Å; K2-F56 HydrophobicContact CB-CG 4.24Å; K2-F56 HydrophobicContact CD-CB 4.33Å; K2-F56 HydrophobicContact CD-CD1 4.16Å; K2-F56 HydrophobicContact CD-CD2 3.84Å; K2-F56 HydrophobicContact CD-CE1 4.39Å; K2-F56 HydrophobicContact CD-CE2 4.04Å; K2-F56 HydrophobicContact CD-CG 3.89Å; K2-F56 HydrophobicContact CD-CZ 4.33Å; K2-F56 HydrophobicContact CG-CB 4.49Å; K2-F56 HydrophobicContact CG-CD1 4.31Å; K2-F56 HydrophobicContact CG-CG 4.31Å; S54-F56 VanDerWaalsContact C-N 3.26Å; S54-F56 WeakPolarHBondContact O-CD2 3.31Å; S54-F56 PolarHBondContact O-N 2.88Å; S54-F56 WeakPolarHBondContact OG-CE2 3.43Å; F56-D58 PolarHBondContact O-N 3.43Å
57	L	47.4	Very low	50	Low	7 Å²	7	80.6 Å²	80.6	4%	0.037	44%	0.435	C	S	.	.			trans	-65.7	128.7	155.9	-122.4	80.7	0	0	0	106.6	F55 G59 Q61 W62 I65 L111	F55-L57 HydrophobicContact CE1-CD1 4.23Å; L57-G59 PolarHBondContact O-N 2.89Å; L57-Q61 HydrophobicContact CD2-CB 3.73Å; L57-Q61 HydrophobicContact CG-CB 3.91Å; L57-W62 HydrophobicContact CB-CD2 4.39Å; L57-W62 HydrophobicContact CB-CG 4.06Å; L57-W62 HydrophobicContact CD2-CD2 3.8Å; L57-W62 HydrophobicContact CD2-CE3 4.35Å; L57-W62 HydrophobicContact CD2-CG 3.87Å; L57-I65 HydrophobicContact CD2-CD1 3.39Å; L57-L111 HydrophobicContact CD1-CD1 4.31Å
58	D	50.7	Low	51.1	Low	87 Å²	87	78.4 Å²	78.4	47%	0.465	42%	0.418	S	S	.	.			trans	-56.6	143.1	170.7	-87.4	-28.6	0	0	0	109.3	F56 T60 Q61 W62	F56-D58 PolarHBondContact O-N 3.43Å; D58-T60 PolarHBondContact O-N 3.45Å; D58-Q61 PolarHBondContact O-N 3.27Å; D58-W62 PolarHBondContact O-N 2.8Å
59	G	55	Low	52.4	Low	29 Å²	29	74.3 Å²	74.3	30%	0.299	39%	0.389	S	S	.	.	H	α-helix	trans	-55.5	-24.9	-176.9	0	0	0	0	0	113.5	L57 S63	L57-G59 PolarHBondContact O-N 2.89Å; G59-S63 PolarHBondContact O-N 2.85Å; G59-S63 VanDerWaalsContact O-N 3.09Å
60	T	57	Low	53.9	Low	96 Å²	96	67.6 Å²	67.6	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-41.1	173.8	52.3	0	0	0	0	112.9	D58 S63 N64	D58-T60 PolarHBondContact O-N 3.45Å; T60-S63 PolarHBondContact O-N 3.42Å; T60-N64 PolarHBondContact O-N 3.21Å
61	Q	61.1	Low	55.6	Low	47 Å²	47	64.9 Å²	64.9	22%	0.22	35%	0.346	C	S	.	.	H	α-helix	trans	-67.4	-40.3	177.8	-68.7	-170.3	-16.4	0	0	110.9	L57 D58 N64 I65 L111	L57-Q61 HydrophobicContact CD2-CB 3.73Å; L57-Q61 HydrophobicContact CG-CB 3.91Å; D58-Q61 PolarHBondContact O-N 3.27Å; Q61-N64 PolarHBondContact O-N 3.46Å; Q61-I65 WeakPolarHBondContact O-CG1 3.48Å; Q61-I65 PolarHBondContact O-N 3.23Å; Q61-L111 VanDerWaalsContact OE1-CD1 3.28Å
62	W	62.5	Low	57.1	Low	22 Å²	22	61.6 Å²	61.6	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-42.9	174	-89.6	123.9	0	0	0	112.6	I5 F10 L38 F55 L57 D58 N64 I65 I66	I5-W62 HydrophobicContact CD1-CB 3.29Å; I5-W62 HydrophobicContact CD1-CD2 4.38Å; I5-W62 HydrophobicContact CD1-CG 3.47Å; I5-W62 VanDerWaalsContact CD1-CG 3.47Å; I5-W62 HydrophobicContact CG1-CG 4.44Å; F10-W62 HydrophobicContact CE2-CE3 4.48Å; F10-W62 HydrophobicContact CE2-CZ3 4.28Å; L38-W62 HydrophobicContact CD1-CH2 3.42Å; L38-W62 VanDerWaalsContact CD1-CH2 3.42Å; L38-W62 HydrophobicContact CD1-CZ2 4.3Å; L38-W62 HydrophobicContact CD1-CZ3 3.85Å; F55-W62 HydrophobicContact CD1-CZ2 4.14Å; F55-W62 HydrophobicContact CE1-CH2 4.23Å; F55-W62 AromaticContact CE1-CZ2 3.56Å; F55-W62 HydrophobicContact CE1-CZ2 3.56Å; L57-W62 HydrophobicContact CB-CD2 4.39Å; L57-W62 HydrophobicContact CB-CG 4.06Å; L57-W62 HydrophobicContact CD2-CD2 3.8Å; L57-W62 HydrophobicContact CD2-CE3 4.35Å; L57-W62 HydrophobicContact CD2-CG 3.87Å; D58-W62 PolarHBondContact O-N 2.8Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.34Å; W62-I65 HydrophobicContact CE3-CB 4.41Å; W62-I65 HydrophobicContact CE3-CD1 4.18Å; W62-I65 HydrophobicContact CE3-CG2 4.39Å; W62-I65 HydrophobicContact CZ3-CD1 4.34Å; W62-I65 HydrophobicContact CZ3-CG2 4.33Å; W62-I65 PolarHBondContact O-N 3.42Å; W62-I66 VanDerWaalsContact O-CG1 3.3Å; W62-I66 WeakPolarHBondContact O-CG1 3.43Å; W62-I66 PolarHBondContact O-N 3Å
63	S	64.4	Low	58.7	Low	35 Å²	35	56.9 Å²	56.9	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-39.7	174.7	-176.3	0	0	0	0	111.5	G59 T60 I66 K67	G59-S63 PolarHBondContact O-N 2.85Å; G59-S63 VanDerWaalsContact O-N 3.09Å; T60-S63 PolarHBondContact O-N 3.42Å; S63-I66 PolarHBondContact O-N 2.72Å; S63-K67 WeakPolarHBondContact O-CB 3.45Å; S63-K67 VanDerWaalsContact O-CG 3.31Å; S63-K67 WeakPolarHBondContact O-CG 3.3Å; S63-K67 PolarHBondContact O-N 2.73Å
64	N	66.5	Low	60.2	Low	78 Å²	78	50.7 Å²	50.7	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-67.6	-40	176.6	-71.1	-14.4	0	0	0	113	T60 Q61 W62 I66 K67 T68	T60-N64 PolarHBondContact O-N 3.21Å; Q61-N64 PolarHBondContact O-N 3.46Å; W62-N64 VanDerWaalsContact C-N 3.26Å; W62-N64 PolarHBondContact O-N 3.34Å; N64-I66 VanDerWaalsContact C-N 3.35Å; N64-K67 PolarHBondContact O-N 3.3Å; N64-T68 PolarHBondContact O-N 3.26Å; N64-T68 PolarHBondContact O-OG1 3.13Å
65	I	65.8	Low	61.6	Low	3 Å²	3	52.2 Å²	52.2	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174	-70.8	170.7	0	0	0	110.6	L57 Q61 W62 T68 F69 I103 Y107	L57-I65 HydrophobicContact CD2-CD1 3.39Å; Q61-I65 WeakPolarHBondContact O-CG1 3.48Å; Q61-I65 PolarHBondContact O-N 3.23Å; W62-I65 HydrophobicContact CE3-CB 4.41Å; W62-I65 HydrophobicContact CE3-CD1 4.18Å; W62-I65 HydrophobicContact CE3-CG2 4.39Å; W62-I65 HydrophobicContact CZ3-CD1 4.34Å; W62-I65 HydrophobicContact CZ3-CG2 4.33Å; W62-I65 PolarHBondContact O-N 3.42Å; I65-T68 WeakPolarHBondContact CA-OG1 3.41Å; I65-T68 PolarHBondContact O-N 3.01Å; I65-T68 PolarHBondContact O-OG1 2.87Å; I65-F69 VanDerWaalsContact O-CB 3.26Å; I65-F69 WeakPolarHBondContact O-CB 3.42Å; I65-F69 PolarHBondContact O-N 3.07Å; I65-I103 HydrophobicContact CB-CG2 4.49Å; I65-I103 HydrophobicContact CG1-CG2 4.3Å; I65-I103 HydrophobicContact CG2-CG2 3.95Å; I65-Y107 HydrophobicContact CD1-CD2 3.88Å; I65-Y107 HydrophobicContact CD1-CG 3.87Å; I65-Y107 HydrophobicContact CG1-CD1 4.48Å; I65-Y107 HydrophobicContact CG1-CD2 3.43Å; I65-Y107 VanDerWaalsContact CG1-CD2 3.43Å; I65-Y107 HydrophobicContact CG1-CE2 3.64Å; I65-Y107 HydrophobicContact CG1-CG 3.88Å
66	I	67.8	Low	62.7	Low	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-43	-180	-67.1	168.9	0	0	0	110.5	F10 L13 L14 E17 W62 S63 N64 F69 A70	F10-I66 HydrophobicContact CD2-CD1 3.74Å; F10-I66 HydrophobicContact CD2-CG1 4.13Å; F10-I66 HydrophobicContact CE2-CD1 3.96Å; F10-I66 HydrophobicContact CE2-CG1 3.81Å; L13-I66 HydrophobicContact CB-CD1 3.74Å; L13-I66 HydrophobicContact CD1-CD1 4.07Å; L14-I66 HydrophobicContact CG-CG2 4.12Å; E17-I66 HydrophobicContact CB-CG2 4.27Å; E17-I66 HydrophobicContact CG-CG2 4.18Å; W62-I66 VanDerWaalsContact O-CG1 3.3Å; W62-I66 WeakPolarHBondContact O-CG1 3.43Å; W62-I66 PolarHBondContact O-N 3Å; S63-I66 PolarHBondContact O-N 2.72Å; N64-I66 VanDerWaalsContact C-N 3.35Å; I66-F69 PolarHBondContact O-N 3.16Å; I66-A70 VanDerWaalsContact O-CB 3.23Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.1Å
67	K	70.6	Confident	63.6	Low	96 Å²	96	49.9 Å²	49.9	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-44.9	177.1	-77.3	175.5	178.7	-179.7	0	113.1	E17 S63 N64 A70 K71	E17-K67 HydrophobicContact CG-CG 4.35Å; E17-K67 WeakPolarHBondContact OE1-CE 3.37Å; E17-K67 WeakPolarHBondContact OE1-CG 3.4Å; S63-K67 WeakPolarHBondContact O-CB 3.45Å; S63-K67 VanDerWaalsContact O-CG 3.31Å; S63-K67 WeakPolarHBondContact O-CG 3.3Å; S63-K67 PolarHBondContact O-N 2.73Å; N64-K67 PolarHBondContact O-N 3.3Å; K67-A70 PolarHBondContact O-N 3.03Å; K67-K71 WeakPolarHBondContact O-CB 3.49Å; K67-K71 PolarHBondContact O-N 3.2Å
68	T	68.3	Low	63.9	Low	57 Å²	57	54 Å²	54	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.9	41.5	0	0	0	0	111.2	N64 I65 K71 I72	N64-T68 PolarHBondContact O-N 3.26Å; N64-T68 PolarHBondContact O-OG1 3.13Å; I65-T68 WeakPolarHBondContact CA-OG1 3.41Å; I65-T68 PolarHBondContact O-N 3.01Å; I65-T68 PolarHBondContact O-OG1 2.87Å; T68-K71 PolarHBondContact O-N 2.7Å; T68-I72 WeakPolarHBondContact O-CG1 3.31Å; T68-I72 PolarHBondContact O-N 2.87Å; T68-I72 VanDerWaalsContact O-N 3.08Å
69	F	69.1	Low	63.6	Low	2 Å²	2	56 Å²	56	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-47.1	174.8	-179	-99.4	0	0	0	112.3	L14 V30 T34 I65 I66 K71 I72 V73 I96 F100 I103	L14-F69 HydrophobicContact CD2-CD1 4.04Å; L14-F69 HydrophobicContact CD2-CE1 4.15Å; V30-F69 HydrophobicContact CG1-CE1 4.13Å; V30-F69 HydrophobicContact CG1-CZ 4.35Å; T34-F69 HydrophobicContact CG2-CE1 3.57Å; T34-F69 HydrophobicContact CG2-CE2 4.38Å; T34-F69 HydrophobicContact CG2-CZ 3.43Å; T34-F69 VanDerWaalsContact CG2-CZ 3.43Å; I65-F69 VanDerWaalsContact O-CB 3.26Å; I65-F69 WeakPolarHBondContact O-CB 3.42Å; I65-F69 PolarHBondContact O-N 3.07Å; I66-F69 PolarHBondContact O-N 3.16Å; F69-K71 VanDerWaalsContact C-N 3.26Å; F69-K71 PolarHBondContact O-N 3.47Å; F69-I72 PolarHBondContact O-N 3.33Å; F69-V73 HydrophobicContact CD1-CG2 4.06Å; F69-V73 HydrophobicContact CE1-CG2 3.62Å; F69-V73 HydrophobicContact CE2-CG2 4.1Å; F69-V73 HydrophobicContact CG-CG2 4.49Å; F69-V73 HydrophobicContact CZ-CG2 3.66Å; F69-V73 WeakPolarHBondContact O-CG2 3Å; F69-V73 PolarHBondContact O-N 2.92Å; F69-I96 HydrophobicContact CE2-CG2 3.88Å; F69-I96 HydrophobicContact CZ-CG2 3.54Å; F69-F100 HydrophobicContact CD2-CB 4.11Å; F69-F100 AromaticContact CD2-CD2 3.81Å; F69-F100 HydrophobicContact CD2-CD2 3.81Å; F69-F100 HydrophobicContact CD2-CG 4.47Å; F69-F100 HydrophobicContact CE2-CB 3.75Å; F69-F100 AromaticContact CE2-CD2 3.98Å; F69-F100 HydrophobicContact CE2-CD2 3.98Å; F69-F100 HydrophobicContact CE2-CG 4.32Å; F69-F100 HydrophobicContact CG-CD2 4.21Å; F69-I103 HydrophobicContact CB-CD1 4.22Å; F69-I103 HydrophobicContact CD2-CD1 4.21Å
70	A	68.8	Low	62.7	Low	1 Å²	1	61 Å²	61	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-36.5	177.7	0	0	0	0	0	112	E17 I66 K67 K74	E17-A70 HydrophobicContact CB-CB 3.95Å; I66-A70 VanDerWaalsContact O-CB 3.23Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.1Å; K67-A70 PolarHBondContact O-N 3.03Å; A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 VanDerWaalsContact O-CG 3.28Å; A70-K74 WeakPolarHBondContact O-CG 3.44Å; A70-K74 PolarHBondContact O-N 3.32Å
71	K	72.5	Confident	62	Low	132 Å²	132	60 Å²	60	57%	0.574	33%	0.329	S	S	*	.	H	α-helix	trans	-64.1	-46.8	174.3	-171	-178.2	176.8	-170.5	0	112	K67 T68 F69 V73 K74 E75	K67-K71 WeakPolarHBondContact O-CB 3.49Å; K67-K71 PolarHBondContact O-N 3.2Å; T68-K71 PolarHBondContact O-N 2.7Å; F69-K71 VanDerWaalsContact C-N 3.26Å; F69-K71 PolarHBondContact O-N 3.47Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.22Å; K71-K74 PolarHBondContact O-N 2.65Å; K71-E75 VanDerWaalsContact CE-OE1 3.31Å; K71-E75 WeakPolarHBondContact CE-OE1 3.25Å; K71-E75 PolarHBondContact O-N 3.39Å
72	I	67.3	Low	61	Low	55 Å²	55	61 Å²	61	28%	0.282	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-42.2	178.4	-68.8	162.2	0	0	0	110.8	T68 F69 E75 L76 I103	T68-I72 WeakPolarHBondContact O-CG1 3.31Å; T68-I72 PolarHBondContact O-N 2.87Å; T68-I72 VanDerWaalsContact O-N 3.08Å; F69-I72 PolarHBondContact O-N 3.33Å; I72-E75 PolarHBondContact O-N 3.1Å; I72-L76 HydrophobicContact CG2-CD1 4.09Å; I72-L76 HydrophobicContact CG2-CG 4.45Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 3.49Å; I72-I103 HydrophobicContact CD1-CD1 3.69Å; I72-I103 HydrophobicContact CD1-CG1 4.49Å
73	V	66.6	Low	60	Low	1 Å²	1	66.9 Å²	66.9	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-46.5	175.7	172.2	0	0	0	0	110.4	L18 F69 K71 E75 L76 F77	L18-V73 HydrophobicContact CD2-CB 4.36Å; L18-V73 HydrophobicContact CD2-CG1 3.75Å; F69-V73 HydrophobicContact CD1-CG2 4.06Å; F69-V73 HydrophobicContact CE1-CG2 3.62Å; F69-V73 HydrophobicContact CE2-CG2 4.1Å; F69-V73 HydrophobicContact CG-CG2 4.49Å; F69-V73 HydrophobicContact CZ-CG2 3.66Å; F69-V73 WeakPolarHBondContact O-CG2 3Å; F69-V73 PolarHBondContact O-N 2.92Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.22Å; V73-E75 VanDerWaalsContact C-N 3.31Å; V73-E75 PolarHBondContact O-N 3.33Å; V73-L76 PolarHBondContact O-N 3.31Å; V73-F77 HydrophobicContact CG1-CD2 3.67Å; V73-F77 HydrophobicContact CG1-CE2 3.73Å; V73-F77 WeakPolarHBondContact O-CD2 3.33Å; V73-F77 PolarHBondContact O-N 2.89Å; V73-F77 VanDerWaalsContact O-N 3.1Å
74	K	68	Low	58.9	Low	72 Å²	72	72.8 Å²	72.8	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-41.2	175.5	-74.4	172.7	-174.4	173.2	0	112.1	E17 A70 K71 F77 S78	E17-K74 VanDerWaalsContact O-CE 3.3Å; E17-K74 WeakPolarHBondContact O-CE 3.47Å; E17-K74 PolarHBondContact O-NZ 2.92Å; A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 VanDerWaalsContact O-CG 3.28Å; A70-K74 WeakPolarHBondContact O-CG 3.44Å; A70-K74 PolarHBondContact O-N 3.32Å; K71-K74 PolarHBondContact O-N 2.65Å; K74-F77 PolarHBondContact O-N 2.86Å; K74-S78 VanDerWaalsContact O-CB 3.26Å; K74-S78 WeakPolarHBondContact O-CB 3.33Å; K74-S78 PolarHBondContact O-N 2.92Å; K74-S78 PolarHBondContact O-OG 3.24Å
75	E	65.4	Low	57.8	Low	113 Å²	113	73 Å²	73	53%	0.528	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-44.2	176.2	-76.4	173.8	-176.1	0	0	111.7	K71 I72 V73 F77 S78	K71-E75 VanDerWaalsContact CE-OE1 3.31Å; K71-E75 WeakPolarHBondContact CE-OE1 3.25Å; K71-E75 PolarHBondContact O-N 3.39Å; I72-E75 PolarHBondContact O-N 3.1Å; V73-E75 VanDerWaalsContact C-N 3.31Å; V73-E75 PolarHBondContact O-N 3.33Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.2Å; E75-S78 PolarHBondContact O-N 2.92Å
76	L	60.7	Low	56.9	Low	58 Å²	58	79 Å²	79	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-63.3	-30.6	178	-72.5	171.2	0	0	0	113.7	I72 V73 I96	I72-L76 HydrophobicContact CG2-CD1 4.09Å; I72-L76 HydrophobicContact CG2-CG 4.45Å; I72-L76 WeakPolarHBondContact O-CG 3.4Å; I72-L76 PolarHBondContact O-N 3.49Å; V73-L76 PolarHBondContact O-N 3.31Å; L76-I96 HydrophobicContact CD1-CG1 4.03Å
77	F	59.4	Low	55.8	Low	53 Å²	53	83 Å²	83	23%	0.232	46%	0.457	C	S	.	.	H	α-helix	trans	-96.4	-12.2	179.6	-72.7	-71.7	0	0	0	114	L22 L26 V73 K74 E75 E79 F89 I96	L22-F77 HydrophobicContact CD1-CB 3.99Å; L22-F77 HydrophobicContact CD1-CD2 3.69Å; L22-F77 HydrophobicContact CD1-CE2 4.41Å; L22-F77 HydrophobicContact CD1-CG 3.91Å; L22-F77 HydrophobicContact CD2-CD2 3.97Å; L22-F77 HydrophobicContact CD2-CE2 3.84Å; L22-F77 HydrophobicContact CD2-CZ 4.27Å; L22-F77 HydrophobicContact CG-CD2 4.19Å; L22-F77 HydrophobicContact CG-CG 4.35Å; L26-F77 HydrophobicContact CD1-CD1 4.49Å; L26-F77 HydrophobicContact CD1-CE1 4.17Å; V73-F77 HydrophobicContact CG1-CD2 3.67Å; V73-F77 HydrophobicContact CG1-CE2 3.73Å; V73-F77 WeakPolarHBondContact O-CD2 3.33Å; V73-F77 PolarHBondContact O-N 2.89Å; V73-F77 VanDerWaalsContact O-N 3.1Å; K74-F77 PolarHBondContact O-N 2.86Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 3.2Å; F77-E79 VanDerWaalsContact C-N 3.35Å; F77-F89 HydrophobicContact CZ-CE2 4.15Å; F77-I96 HydrophobicContact CE2-CD1 3.96Å; F77-I96 HydrophobicContact CZ-CD1 4.07Å
78	S	55	Low	54.8	Low	92 Å²	92	80.1 Å²	80.1	64%	0.643	45%	0.451	S	S	*	.	H	α-helix	trans	-86.7	-4.7	177.4	-58.7	0	0	0	0	113.3	K74 E75 P80	K74-S78 VanDerWaalsContact O-CB 3.26Å; K74-S78 WeakPolarHBondContact O-CB 3.33Å; K74-S78 PolarHBondContact O-N 2.92Å; K74-S78 PolarHBondContact O-OG 3.24Å; E75-S78 PolarHBondContact O-N 2.92Å; S78-P80 WeakPolarHBondContact O-CD 3.33Å
79	E	43.9	Very low	54	Low	130 Å²	130	78.7 Å²	78.7	61%	0.607	44%	0.44	S	S	*	.	S	Bend	trans	-64.7	122.1	175.2	-75.2	-165.9	162.2	0	0	110.8	F77 G81 I82	F77-E79 VanDerWaalsContact C-N 3.35Å; E79-G81 PolarHBondContact O-N 3.39Å; E79-I82 HydrophobicContact CB-CD1 4.17Å
80	P	36.5	Very low	53.4	Low	135 Å²	135	82 Å²	82	88%	0.877	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	113.8	-175.1	29.5	-31.9	0	0	0	109.6	S78	S78-P80 WeakPolarHBondContact O-CD 3.33Å
81	G	42.8	Very low	52.8	Low	73 Å²	73	88.2 Å²	88.2	75%	0.753	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.1	1.6	170.5	0	0	0	0	0	115.9	E79 E83	E79-G81 PolarHBondContact O-N 3.39Å; G81-E83 PolarHBondContact O-N 3.27Å; G81-E83 VanDerWaalsContact O-N 3.13Å
82	I	40.1	Very low	52.1	Low	69 Å²	69	83.5 Å²	83.5	35%	0.354	48%	0.476	S	S	.	.			trans	-86.9	91.7	-178.9	-48.2	-175.8	0	0	0	108.6	E79 I84	E79-I82 HydrophobicContact CB-CD1 4.17Å; I82-I84 PolarHBondContact O-N 2.93Å
83	E	40.2	Very low	51.7	Low	145 Å²	145	83.1 Å²	83.1	68%	0.678	47%	0.473	S	S	*	.			trans	-51.2	135.3	166.1	-73.7	-177.9	166.5	0	0	109.5	G81 N85	G81-E83 PolarHBondContact O-N 3.27Å; G81-E83 VanDerWaalsContact O-N 3.13Å; E83-N85 PolarHBondContact O-N 3.49Å; E83-N85 PolarHBondContact OE2-ND2 3.35Å
84	I	42.2	Very low	51.6	Low	160 Å²	160	89.2 Å²	89.2	82%	0.821	50%	0.501	S	S	*	.			trans	-70	65.5	-178.2	-51.1	166.8	0	0	0	108.5	I82	I82-I84 PolarHBondContact O-N 2.93Å
85	N	42.6	Very low	51.5	Low	83 Å²	83	89 Å²	89	44%	0.444	51%	0.509	S	S	.	.			trans	-101.3	128	176.8	-77.5	-32.1	0	0	0	108.6	E83 S87 A88 F89	E83-N85 PolarHBondContact O-N 3.49Å; E83-N85 PolarHBondContact OE2-ND2 3.35Å; N85-S87 PolarHBondContact O-N 2.68Å; N85-A88 PolarHBondContact O-N 3.33Å; N85-A88 VanDerWaalsContact O-N 3.1Å; N85-F89 PolarHBondContact O-N 2.97Å
86	T	46.9	Very low	51.3	Low	128 Å²	128	84.1 Å²	84.1	79%	0.785	49%	0.487	S	S	*	.	H	α-helix	trans	-54.5	-27.2	-176.6	-9	0	0	0	0	113.2	S90	T86-S90 PolarHBondContact O-N 3.02Å
87	S	45.2	Very low	51.6	Low	89 Å²	89	85 Å²	85	62%	0.622	49%	0.486	S	S	*	.	H	α-helix	trans	-74.9	-45.8	177.6	52.6	0	0	0	0	113.2	N85 F89 S90	N85-S87 PolarHBondContact O-N 2.68Å; S87-F89 PolarHBondContact O-N 3.41Å; S87-S90 PolarHBondContact O-N 3.34Å; S87-S90 VanDerWaalsContact O-N 3.08Å
88	A	50.2	Low	52	Low	35 Å²	35	88.9 Å²	88.9	29%	0.289	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-34.9	174.3	0	0	0	0	0	110.8	N85 S90 L91 Q92	N85-A88 PolarHBondContact O-N 3.33Å; N85-A88 VanDerWaalsContact O-N 3.1Å; A88-S90 VanDerWaalsContact C-N 3.31Å; A88-S90 PolarHBondContact O-N 3.18Å; A88-L91 PolarHBondContact O-N 3.43Å; A88-Q92 WeakPolarHBondContact O-CG 3.48Å; A88-Q92 PolarHBondContact O-N 2.87Å
89	F	51.6	Low	52.5	Low	27 Å²	27	85.5 Å²	85.5	12%	0.118	48%	0.48	C	S	.	.	H	α-helix	trans	-62.9	-33.4	175.8	-170.4	-128.7	0	0	0	113	L26 V29 F77 N85 S87 Q92 Q93	L26-F89 HydrophobicContact CD2-CD1 4.35Å; L26-F89 HydrophobicContact CD2-CD2 3.61Å; L26-F89 HydrophobicContact CD2-CE1 3.98Å; L26-F89 HydrophobicContact CD2-CE2 3.25Å; L26-F89 HydrophobicContact CD2-CG 4.18Å; L26-F89 HydrophobicContact CD2-CZ 3.46Å; L26-F89 VanDerWaalsContact CD2-CZ 3.46Å; V29-F89 HydrophobicContact CB-CE1 3.99Å; V29-F89 HydrophobicContact CB-CZ 3.81Å; V29-F89 HydrophobicContact CG1-CE1 3.6Å; V29-F89 HydrophobicContact CG1-CZ 3.56Å; V29-F89 HydrophobicContact CG2-CE1 4.15Å; V29-F89 HydrophobicContact CG2-CZ 4.4Å; F77-F89 HydrophobicContact CZ-CE2 4.15Å; N85-F89 PolarHBondContact O-N 2.97Å; S87-F89 PolarHBondContact O-N 3.41Å; F89-Q92 PolarHBondContact O-N 2.8Å; F89-Q93 HydrophobicContact CD1-CG 4.21Å; F89-Q93 HydrophobicContact CD2-CG 4.4Å; F89-Q93 HydrophobicContact CE1-CG 4.08Å; F89-Q93 HydrophobicContact CE2-CG 4.19Å; F89-Q93 HydrophobicContact CG-CG 4.38Å; F89-Q93 HydrophobicContact CZ-CG 4.04Å; F89-Q93 VanDerWaalsContact O-CB 3.3Å; F89-Q93 WeakPolarHBondContact O-CB 3.27Å; F89-Q93 WeakPolarHBondContact O-CG 3.38Å; F89-Q93 PolarHBondContact O-N 3.07Å
90	S	55	Low	53.6	Low	71 Å²	71	79.5 Å²	79.5	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-67.4	-40.1	178.9	-150	0	0	0	0	112.6	T86 S87 A88 Q93 E94	T86-S90 PolarHBondContact O-N 3.02Å; S87-S90 PolarHBondContact O-N 3.34Å; S87-S90 VanDerWaalsContact O-N 3.08Å; A88-S90 VanDerWaalsContact C-N 3.31Å; A88-S90 PolarHBondContact O-N 3.18Å; S90-Q93 WeakPolarHBondContact O-CB 3.33Å; S90-Q93 PolarHBondContact O-N 2.92Å; S90-E94 PolarHBondContact O-N 3.16Å
91	L	56.1	Low	55.1	Low	131 Å²	131	77.1 Å²	77.1	69%	0.686	43%	0.426	S	S	*	.	H	α-helix	trans	-68.4	-40.2	173.9	-80.7	160.2	0	0	0	112.3	A88 Q93 E94 S95	A88-L91 PolarHBondContact O-N 3.43Å; L91-Q93 VanDerWaalsContact C-N 3.35Å; L91-E94 PolarHBondContact O-N 3.28Å; L91-S95 PolarHBondContact O-N 3.33Å; L91-S95 VanDerWaalsContact O-N 3.16Å; L91-S95 PolarHBondContact O-OG 3.08Å; L91-S95 VanDerWaalsContact O-OG 3.13Å
92	Q	57.9	Low	56.3	Low	34 Å²	34	79 Å²	79	16%	0.159	42%	0.415	C	S	.	.	H	α-helix	trans	-66.2	-37.6	173.9	-72.4	-174.6	-26.5	0	0	111.7	A88 F89 E94 S95 I96	A88-Q92 WeakPolarHBondContact O-CG 3.48Å; A88-Q92 PolarHBondContact O-N 2.87Å; F89-Q92 PolarHBondContact O-N 2.8Å; Q92-E94 VanDerWaalsContact C-N 3.31Å; Q92-E94 PolarHBondContact O-N 2.76Å; Q92-S95 WeakPolarHBondContact O-CB 3.27Å; Q92-S95 PolarHBondContact O-N 2.91Å; Q92-I96 WeakPolarHBondContact O-CG1 3.26Å; Q92-I96 PolarHBondContact O-N 2.87Å
93	Q	59.8	Low	57.5	Low	47 Å²	47	76.8 Å²	76.8	22%	0.22	40%	0.404	C	S	.	.	H	α-helix	trans	-58.5	-42.3	175.7	-82.5	173.9	13.4	0	0	111.9	F89 S90 L91 I96 R97	F89-Q93 HydrophobicContact CD1-CG 4.21Å; F89-Q93 HydrophobicContact CD2-CG 4.4Å; F89-Q93 HydrophobicContact CE1-CG 4.08Å; F89-Q93 HydrophobicContact CE2-CG 4.19Å; F89-Q93 HydrophobicContact CG-CG 4.38Å; F89-Q93 HydrophobicContact CZ-CG 4.04Å; F89-Q93 VanDerWaalsContact O-CB 3.3Å; F89-Q93 WeakPolarHBondContact O-CB 3.27Å; F89-Q93 WeakPolarHBondContact O-CG 3.38Å; F89-Q93 PolarHBondContact O-N 3.07Å; S90-Q93 WeakPolarHBondContact O-CB 3.33Å; S90-Q93 PolarHBondContact O-N 2.92Å; L91-Q93 VanDerWaalsContact C-N 3.35Å; Q93-I96 PolarHBondContact O-N 3.29Å; Q93-R97 WeakPolarHBondContact O-CG 3.34Å; Q93-R97 PolarHBondContact O-N 2.89Å; Q93-R97 VanDerWaalsContact O-N 3.07Å
94	E	64	Low	58.7	Low	128 Å²	128	70.2 Å²	70.2	60%	0.598	37%	0.373	S	S	*	.	H	α-helix	trans	-69.4	-38.8	178.4	-165.3	132.4	-133.5	0	0	111.7	S90 L91 Q92 I96 R97 K98	S90-E94 PolarHBondContact O-N 3.16Å; L91-E94 PolarHBondContact O-N 3.28Å; Q92-E94 VanDerWaalsContact C-N 3.31Å; Q92-E94 PolarHBondContact O-N 2.76Å; E94-I96 PolarHBondContact O-N 3.11Å; E94-R97 PolarHBondContact O-N 3.34Å; E94-K98 PolarHBondContact O-N 2.67Å
95	S	65.2	Low	59.8	Low	68 Å²	68	68.6 Å²	68.6	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-61.1	-43.2	172.6	-61.7	0	0	0	0	112.3	L91 Q92 R97 K98 A99	L91-S95 PolarHBondContact O-N 3.33Å; L91-S95 VanDerWaalsContact O-N 3.16Å; L91-S95 PolarHBondContact O-OG 3.08Å; L91-S95 VanDerWaalsContact O-OG 3.13Å; Q92-S95 WeakPolarHBondContact O-CB 3.27Å; Q92-S95 PolarHBondContact O-N 2.91Å; S95-R97 PolarHBondContact O-N 3.31Å; S95-K98 PolarHBondContact O-N 3.37Å; S95-A99 WeakPolarHBondContact O-CB 3.15Å; S95-A99 PolarHBondContact O-N 3.37Å
96	I	62.8	Low	60.8	Low	11 Å²	11	70.2 Å²	70.2	6%	0.056	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-42.7	176.4	-68.7	165	0	0	0	110.7	V30 F69 L76 F77 Q92 Q93 E94 A99 F100	V30-I96 HydrophobicContact CG2-CD1 4.27Å; F69-I96 HydrophobicContact CE2-CG2 3.88Å; F69-I96 HydrophobicContact CZ-CG2 3.54Å; L76-I96 HydrophobicContact CD1-CG1 4.03Å; F77-I96 HydrophobicContact CE2-CD1 3.96Å; F77-I96 HydrophobicContact CZ-CD1 4.07Å; Q92-I96 WeakPolarHBondContact O-CG1 3.26Å; Q92-I96 PolarHBondContact O-N 2.87Å; Q93-I96 PolarHBondContact O-N 3.29Å; E94-I96 PolarHBondContact O-N 3.11Å; I96-A99 PolarHBondContact O-N 3.05Å; I96-F100 PolarHBondContact O-N 3.17Å
97	R	65.9	Low	61.4	Low	75 Å²	75	66.4 Å²	66.4	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176.1	-71.1	173.1	-159.8	178.6	2.1	111.6	K33 E37 Q93 E94 S95 F100 R101	K33-R97 HydrophobicContact CG-CG 3.89Å; E37-R97 HydrophobicContact CG-CG 4.43Å; Q93-R97 WeakPolarHBondContact O-CG 3.34Å; Q93-R97 PolarHBondContact O-N 2.89Å; Q93-R97 VanDerWaalsContact O-N 3.07Å; E94-R97 PolarHBondContact O-N 3.34Å; S95-R97 PolarHBondContact O-N 3.31Å; R97-F100 PolarHBondContact O-N 3.04Å; R97-R101 PolarHBondContact O-N 3.45Å
98	K	68.6	Low	61.9	Low	135 Å²	135	64 Å²	64	59%	0.587	32%	0.315	S	S	*	.	H	α-helix	trans	-64	-45	-179.7	-169.3	178.5	177.5	-176.1	0	111.4	E94 S95 F100 R101 E102	E94-K98 PolarHBondContact O-N 2.67Å; S95-K98 PolarHBondContact O-N 3.37Å; K98-F100 PolarHBondContact O-N 3.13Å; K98-R101 PolarHBondContact O-N 3.23Å; K98-E102 WeakPolarHBondContact CE-OE1 3.41Å; K98-E102 PolarHBondContact O-N 3.39Å
99	A	65.7	Low	62	Low	21 Å²	21	69.3 Å²	69.3	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-44	176.2	0	0	0	0	0	112	S95 I96 R101 E102 I103	S95-A99 WeakPolarHBondContact O-CB 3.15Å; S95-A99 PolarHBondContact O-N 3.37Å; I96-A99 PolarHBondContact O-N 3.05Å; A99-R101 PolarHBondContact O-N 2.77Å; A99-E102 PolarHBondContact O-N 3.41Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.31Å; A99-I103 PolarHBondContact O-N 3.05Å
100	F	66.6	Low	62	Low	4 Å²	4	72.5 Å²	72.5	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-60.8	-45.7	176.3	-174.3	-104.2	0	0	0	112.1	F10 E37 L38 I41 F69 I96 R97 K98 E102 I103 V104	F10-F100 HydrophobicContact CZ-CE2 4.24Å; F10-F100 HydrophobicContact CZ-CZ 4.26Å; E37-F100 HydrophobicContact CB-CD1 4.29Å; E37-F100 HydrophobicContact CB-CE1 4.49Å; L38-F100 HydrophobicContact CD1-CZ 3.98Å; I41-F100 HydrophobicContact CD1-CD1 4.42Å; I41-F100 HydrophobicContact CD1-CE1 4.08Å; F69-F100 HydrophobicContact CD2-CB 4.11Å; F69-F100 AromaticContact CD2-CD2 3.81Å; F69-F100 HydrophobicContact CD2-CD2 3.81Å; F69-F100 HydrophobicContact CD2-CG 4.47Å; F69-F100 HydrophobicContact CE2-CB 3.75Å; F69-F100 AromaticContact CE2-CD2 3.98Å; F69-F100 HydrophobicContact CE2-CD2 3.98Å; F69-F100 HydrophobicContact CE2-CG 4.32Å; F69-F100 HydrophobicContact CG-CD2 4.21Å; I96-F100 PolarHBondContact O-N 3.17Å; R97-F100 PolarHBondContact O-N 3.04Å; K98-F100 PolarHBondContact O-N 3.13Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.39Å; F100-I103 PolarHBondContact O-N 2.85Å; F100-V104 HydrophobicContact CD1-CG2 4.17Å; F100-V104 HydrophobicContact CE1-CG2 3.76Å; F100-V104 HydrophobicContact CE2-CG2 4.18Å; F100-V104 HydrophobicContact CZ-CG2 3.76Å; F100-V104 WeakPolarHBondContact O-CG2 3.5Å; F100-V104 PolarHBondContact O-N 3.42Å
101	R	67.1	Low	61.6	Low	85 Å²	85	71.6 Å²	71.6	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-59.6	-45.5	178.5	-172.8	176.2	-75.1	-119.9	-2.4	110.9	E37 E44 R97 K98 A99 I103 V104 Y105	E37-R101 IonicContact OE2-NH2 2.73Å; E37-R101 PolarHBondContact OE2-NH2 2.91Å; E44-R101 IonicContact OE1-NH1 3.83Å; R97-R101 PolarHBondContact O-N 3.45Å; K98-R101 PolarHBondContact O-N 3.23Å; A99-R101 PolarHBondContact O-N 2.77Å; R101-I103 PolarHBondContact O-N 3.16Å; R101-V104 PolarHBondContact O-N 3.07Å; R101-Y105 HydrophobicContact CG-CD2 3.75Å; R101-Y105 HydrophobicContact CG-CE2 3.71Å; R101-Y105 VanDerWaalsContact O-CD2 3.26Å; R101-Y105 WeakPolarHBondContact O-CD2 3.42Å; R101-Y105 PolarHBondContact O-N 3.22Å
102	E	68	Low	60.7	Low	113 Å²	113	69.4 Å²	69.4	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.5	-73.5	180	-174.7	0	0	112.5	K98 A99 F100 Y105 M106	K98-E102 WeakPolarHBondContact CE-OE1 3.41Å; K98-E102 PolarHBondContact O-N 3.39Å; A99-E102 PolarHBondContact O-N 3.41Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.39Å; E102-Y105 PolarHBondContact O-N 2.58Å; E102-M106 WeakPolarHBondContact O-CB 3.49Å; E102-M106 VanDerWaalsContact O-CG 3.26Å; E102-M106 WeakPolarHBondContact O-CG 3.46Å; E102-M106 PolarHBondContact O-N 3.32Å
103	I	66.7	Low	59.7	Low	23 Å²	23	70.7 Å²	70.7	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-45.7	177.6	-64.2	163.4	0	0	0	111.1	I65 F69 I72 A99 F100 R101 Y105 M106 Y107	I65-I103 HydrophobicContact CB-CG2 4.49Å; I65-I103 HydrophobicContact CG1-CG2 4.3Å; I65-I103 HydrophobicContact CG2-CG2 3.95Å; F69-I103 HydrophobicContact CB-CD1 4.22Å; F69-I103 HydrophobicContact CD2-CD1 4.21Å; I72-I103 HydrophobicContact CD1-CD1 3.69Å; I72-I103 HydrophobicContact CD1-CG1 4.49Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.31Å; A99-I103 PolarHBondContact O-N 3.05Å; F100-I103 PolarHBondContact O-N 2.85Å; R101-I103 PolarHBondContact O-N 3.16Å; I103-Y105 VanDerWaalsContact C-N 3.35Å; I103-Y105 PolarHBondContact O-N 3.5Å; I103-M106 PolarHBondContact O-N 3.41Å; I103-Y107 HydrophobicContact CG2-CD2 4.1Å; I103-Y107 HydrophobicContact CG2-CE2 4.3Å; I103-Y107 WeakPolarHBondContact O-CD2 3.38Å; I103-Y107 PolarHBondContact O-N 2.97Å; I103-Y107 VanDerWaalsContact O-N 3.12Å
104	V	64.7	Low	58.4	Low	6 Å²	6	72.7 Å²	72.7	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-64.4	-40.9	179.4	176	0	0	0	0	111.1	I41 F100 R101 Y107 N108	I41-V104 HydrophobicContact CD1-CB 4.19Å; I41-V104 HydrophobicContact CD1-CG1 4.02Å; I41-V104 HydrophobicContact CD1-CG2 4.23Å; I41-V104 HydrophobicContact CG2-CG1 4.14Å; F100-V104 HydrophobicContact CD1-CG2 4.17Å; F100-V104 HydrophobicContact CE1-CG2 3.76Å; F100-V104 HydrophobicContact CE2-CG2 4.18Å; F100-V104 HydrophobicContact CZ-CG2 3.76Å; F100-V104 WeakPolarHBondContact O-CG2 3.5Å; F100-V104 PolarHBondContact O-N 3.42Å; R101-V104 PolarHBondContact O-N 3.07Å; V104-Y107 PolarHBondContact O-N 3.38Å; V104-N108 WeakPolarHBondContact O-CB 3.14Å; V104-N108 PolarHBondContact O-N 2.86Å
105	Y	65.4	Low	56.9	Low	127 Å²	127	71.9 Å²	71.9	50%	0.498	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.5	-90.5	-71.4	0	0	0	113	R101 E102 I103 Y107 N108 K109	R101-Y105 HydrophobicContact CG-CD2 3.75Å; R101-Y105 HydrophobicContact CG-CE2 3.71Å; R101-Y105 VanDerWaalsContact O-CD2 3.26Å; R101-Y105 WeakPolarHBondContact O-CD2 3.42Å; R101-Y105 PolarHBondContact O-N 3.22Å; E102-Y105 PolarHBondContact O-N 2.58Å; I103-Y105 VanDerWaalsContact C-N 3.35Å; I103-Y105 PolarHBondContact O-N 3.5Å; Y105-Y107 PolarHBondContact O-N 2.85Å; Y105-N108 PolarHBondContact O-N 3.21Å; Y105-K109 WeakPolarHBondContact O-CB 3.19Å; Y105-K109 PolarHBondContact O-N 2.79Å
106	M	63.9	Low	55.3	Low	116 Å²	116	76.2 Å²	76.2	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-58.8	-47.4	176	-77.8	-66.3	-65.5	0	0	111.2	E102 I103 K109 E110	E102-M106 WeakPolarHBondContact O-CB 3.49Å; E102-M106 VanDerWaalsContact O-CG 3.26Å; E102-M106 WeakPolarHBondContact O-CG 3.46Å; E102-M106 PolarHBondContact O-N 3.32Å; I103-M106 PolarHBondContact O-N 3.41Å; M106-K109 PolarHBondContact O-N 2.92Å; M106-E110 PolarHBondContact O-N 3.25Å
107	Y	59.5	Low	53.6	Low	49 Å²	49	83.1 Å²	83.1	19%	0.192	40%	0.401	C	S	.	.	H	α-helix	trans	-70.3	-36.9	177.9	-86.6	-79.2	0	0	0	113.4	I65 I103 V104 Y105 K109 E110 L111	I65-Y107 HydrophobicContact CD1-CD2 3.88Å; I65-Y107 HydrophobicContact CD1-CG 3.87Å; I65-Y107 HydrophobicContact CG1-CD1 4.48Å; I65-Y107 HydrophobicContact CG1-CD2 3.43Å; I65-Y107 VanDerWaalsContact CG1-CD2 3.43Å; I65-Y107 HydrophobicContact CG1-CE2 3.64Å; I65-Y107 HydrophobicContact CG1-CG 3.88Å; I103-Y107 HydrophobicContact CG2-CD2 4.1Å; I103-Y107 HydrophobicContact CG2-CE2 4.3Å; I103-Y107 WeakPolarHBondContact O-CD2 3.38Å; I103-Y107 PolarHBondContact O-N 2.97Å; I103-Y107 VanDerWaalsContact O-N 3.12Å; V104-Y107 PolarHBondContact O-N 3.38Å; Y105-Y107 PolarHBondContact O-N 2.85Å; Y107-K109 VanDerWaalsContact C-N 3.27Å; Y107-K109 PolarHBondContact O-N 2.91Å; Y107-E110 PolarHBondContact O-N 2.97Å; Y107-L111 PolarHBondContact O-N 3.37Å
108	N	55	Low	51.7	Low	37 Å²	37	89.7 Å²	89.7	20%	0.198	43%	0.427	C	S	.	.	H	α-helix	trans	-61.6	-38	172.8	-83.7	-21.1	0	0	0	111.6	V104 Y105 L111 C112	V104-N108 WeakPolarHBondContact O-CB 3.14Å; V104-N108 PolarHBondContact O-N 2.86Å; Y105-N108 PolarHBondContact O-N 3.21Å; N108-L111 WeakPolarHBondContact O-CB 3.2Å; N108-L111 PolarHBondContact O-N 3.29Å; N108-C112 PolarHBondContact O-N 3.49Å
109	K	53.5	Low	49.6	Very low	148 Å²	148	87.5 Å²	87.5	64%	0.643	43%	0.429	S	S	*	.	H	α-helix	trans	-70	-38.3	177.2	-167.7	179	179.5	-176.3	0	112.3	Y105 M106 Y107 L111 C112 S113	Y105-K109 WeakPolarHBondContact O-CB 3.19Å; Y105-K109 PolarHBondContact O-N 2.79Å; M106-K109 PolarHBondContact O-N 2.92Å; Y107-K109 VanDerWaalsContact C-N 3.27Å; Y107-K109 PolarHBondContact O-N 2.91Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 3.48Å; K109-C112 PolarHBondContact O-N 3.08Å; K109-S113 PolarHBondContact O-N 3.17Å; K109-S113 PolarHBondContact O-OG 3.32Å
110	E	51	Low	47.6	Very low	94 Å²	94	93.6 Å²	93.6	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-39	170.9	-76.6	-173.1	171.3	0	0	111.5	M106 Y107 C112 S113 N114	M106-E110 PolarHBondContact O-N 3.25Å; Y107-E110 PolarHBondContact O-N 2.97Å; E110-C112 PolarHBondContact O-N 2.74Å; E110-S113 PolarHBondContact O-N 2.9Å; E110-S113 VanDerWaalsContact O-N 3.12Å; E110-N114 PolarHBondContact O-N 2.91Å
111	L	46.2	Very low	45.6	Very low	52 Å²	52	99.3 Å²	99.3	27%	0.272	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-41.1	175.5	-132.1	95.9	0	0	0	112.4	L57 Q61 Y107 N108 K109 S113 N115	L57-L111 HydrophobicContact CD1-CD1 4.31Å; Q61-L111 VanDerWaalsContact OE1-CD1 3.28Å; Y107-L111 PolarHBondContact O-N 3.37Å; N108-L111 WeakPolarHBondContact O-CB 3.2Å; N108-L111 PolarHBondContact O-N 3.29Å; K109-L111 VanDerWaalsContact C-N 3.3Å; K109-L111 PolarHBondContact O-N 3.48Å; L111-S113 PolarHBondContact O-N 3.27Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 VanDerWaalsContact O-CG 3.31Å; L111-N115 PolarHBondContact O-N 3.2Å; L111-N115 VanDerWaalsContact O-N 3.11Å; L111-N115 PolarHBondContact O-ND2 3.49Å; L111-N115 VanDerWaalsContact O-ND2 3.13Å
112	C	37.7	Very low	43.5	Very low	85 Å²	85	102.7 Å²	102.7	57%	0.574	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-29.8	173.6	-73.6	0	0	0	0	112.5	N108 K109 E110	N108-C112 PolarHBondContact O-N 3.49Å; K109-C112 PolarHBondContact O-N 3.08Å; E110-C112 PolarHBondContact O-N 2.74Å
113	S	36	Very low	41.5	Very low	61 Å²	61	103.8 Å²	103.8	43%	0.427	53%	0.528	S	S	.	.	H	α-helix	trans	-79.7	-45.9	179	-51.5	0	0	0	0	111.5	K109 E110 L111 N115 Q116	K109-S113 PolarHBondContact O-N 3.17Å; K109-S113 PolarHBondContact O-OG 3.32Å; E110-S113 PolarHBondContact O-N 2.9Å; E110-S113 VanDerWaalsContact O-N 3.12Å; L111-S113 PolarHBondContact O-N 3.27Å; S113-N115 VanDerWaalsContact C-N 3.31Å; S113-N115 PolarHBondContact O-N 3.41Å; S113-Q116 WeakPolarHBondContact O-CB 3.44Å; S113-Q116 PolarHBondContact O-N 3.37Å; S113-Q116 VanDerWaalsContact O-N 3.08Å
114	N	34.3	Very low	39.4	Very low	88 Å²	88	106.5 Å²	106.5	47%	0.471	56%	0.561	S	S	.	*	H	α-helix	trans	-70.4	-26.4	-178.3	-69.8	-13.9	0	0	0	112.9	E110 Q116 E117	E110-N114 PolarHBondContact O-N 2.91Å; N114-Q116 PolarHBondContact O-N 3.32Å; N114-E117 PolarHBondContact O-N 2.62Å
115	N	31.9	Very low	37.5	Very low	111 Å²	111	113.1 Å²	113.1	59%	0.594	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-5.8	173.2	-73.9	-31.4	0	0	0	113.6	L111 S113	L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 VanDerWaalsContact O-CG 3.31Å; L111-N115 PolarHBondContact O-N 3.2Å; L111-N115 VanDerWaalsContact O-N 3.11Å; L111-N115 PolarHBondContact O-ND2 3.49Å; L111-N115 VanDerWaalsContact O-ND2 3.13Å; S113-N115 VanDerWaalsContact C-N 3.31Å; S113-N115 PolarHBondContact O-N 3.41Å
116	Q	31	Very low	35.6	Very low	159 Å²	159	112 Å²	112	74%	0.743	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-13.8	170.9	-72.5	-172.3	-24.3	0	0	113.7	S113 N114	S113-Q116 WeakPolarHBondContact O-CB 3.44Å; S113-Q116 PolarHBondContact O-N 3.37Å; S113-Q116 VanDerWaalsContact O-N 3.08Å; N114-Q116 PolarHBondContact O-N 3.32Å
117	E	27.7	Very low	33.7	Very low	156 Å²	156	114.5 Å²	114.5	73%	0.729	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-13.4	179.5	-69.6	-166.6	159	0	0	114	N114 S119	N114-E117 PolarHBondContact O-N 2.62Å; E117-S119 PolarHBondContact O-N 3.12Å
118	Y	24.5	Very low	32.1	Very low	214 Å²	214	120.6 Å²	120.6	84%	0.839	65%	0.652	S	S	*	*	S	Bend	trans	-98.2	54.4	173.3	-72.3	-79.2	0	0	0	112.6
119	S	25.8	Very low	30.7	Very low	89 Å²	89	127.7 Å²	127.7	62%	0.622	68%	0.684	S	S	*	*			trans	-144.6	53.6	162	68.6	0	0	0	0	111.1	E117	E117-S119 PolarHBondContact O-N 3.12Å
120	N	23.9	Very low	29.4	Very low	148 Å²	148	128.2 Å²	128.2	79%	0.791	69%	0.692	S	S	*	*			trans	-129.9	25.9	169.9	-89	-22.4	0	0	0	112.4	N122	N120-N122 PolarHBondContact O-N 3.12Å
121	T	24.7	Very low	28.1	Very low	125 Å²	125	133 Å²	133	77%	0.767	71%	0.714	S	S	*	*			trans	-88.2	99.4	165.4	44.6	0	0	0	0	109.2	N123	T121-N123 PolarHBondContact O-N 3.24Å
122	N	23.4	Very low	27	Very low	156 Å²	156	141.9 Å²	141.9	83%	0.834	74%	0.744	S	S	*	*			trans	-48.7	82.6	163.9	-69.3	-39.2	0	0	0	111.5	N120	N120-N122 PolarHBondContact O-N 3.12Å
123	N	25.9	Very low	26.4	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	75%	0.745	S	S	*	*			trans	-104	84.8	155.2	-76.3	-7.7	0	0	0	106.5	T121 L125	T121-N123 PolarHBondContact O-N 3.24Å; N123-L125 PolarHBondContact O-N 2.89Å
124	G	21.2	Very low	25.9	Very low	80 Å²	80	145.7 Å²	145.7	83%	0.825	77%	0.768	S	S	*	*			trans	-60.3	85.6	158.9	0	0	0	0	0	108.4
125	L	24.6	Very low	25.4	Very low	146 Å²	146	145.4 Å²	145.4	76%	0.764	77%	0.773	S	S	*	*			trans	-96.9	104	157.1	-72.3	170.8	0	0	0	105.2	N123 L127	N123-L125 PolarHBondContact O-N 2.89Å; L125-L127 PolarHBondContact O-N 3.39Å; L125-L127 VanDerWaalsContact O-N 3.07Å
126	S	25.4	Very low	25.1	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	78%	0.784	S	S	*	*			trans	-40	111.8	170.7	45.7	0	0	0	0	110.3	E128	S126-E128 PolarHBondContact O-N 3.38Å
127	L	24.9	Very low	24.7	Very low	167 Å²	167	150.9 Å²	150.9	87%	0.874	79%	0.792	S	S	*	*			trans	-76.6	62.8	178.7	-150.1	82	0	0	0	109.1	L125	L125-L127 PolarHBondContact O-N 3.39Å; L125-L127 VanDerWaalsContact O-N 3.07Å
128	E	25.2	Very low	24.5	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	79%	0.794	S	S	*	*			trans	-115.3	3.8	179.9	-86.4	-168.9	163.2	0	0	114.7	S126	S126-E128 PolarHBondContact O-N 3.38Å
129	E	26.4	Very low	24.6	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	79%	0.791	S	S	*	*	S	Bend	trans	-119.8	17.6	-177.8	-81.8	-169.4	151.2	0	0	117.1
130	I	25.3	Very low	24.6	Very low	158 Å²	158	150 Å²	150	81%	0.81	79%	0.793	S	S	*	*			trans	-120.7	46.9	173.1	-41.1	-179.5	0	0	0	112
131	Q	24.5	Very low	24.7	Very low	195 Å²	195	150.1 Å²	150.1	91%	0.911	79%	0.794	S	S	*	*			trans	-118.3	60.2	153.4	-69.1	-145.9	1.1	0	0	110.2
132	R	23.7	Very low	24.8	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	80%	0.8	S	S	*	*			trans	-90.3	102.5	151.9	-110.2	179.3	-168.8	148.9	5.3	107.2
133	S	25.2	Very low	25.1	Very low	85 Å²	85	152.3 Å²	152.3	59%	0.594	80%	0.796	S	S	*	*			trans	-41.5	137.6	162.4	44.8	0	0	0	0	110.6	S135	S133-S135 PolarHBondContact O-N 3.3Å
134	P	24.1	Very low	25.1	Very low	141 Å²	141	152.8 Å²	152.8	92%	0.916	80%	0.799	S	S	*	*			trans	-72.6	79.6	173.6	31	-31.9	0	0	0	108.4
135	S	23.7	Very low	25.5	Very low	82 Å²	82	156.3 Å²	156.3	57%	0.573	80%	0.798	S	S	*	*			trans	-101	132.3	164.9	57.2	0	0	0	0	107.7	S133	S133-S135 PolarHBondContact O-N 3.3Å
136	Q	25.4	Very low	25.5	Very low	175 Å²	175	153.6 Å²	153.6	82%	0.818	79%	0.791	S	S	*	*			trans	81	70.9	170.1	-53	173.3	-8.8	0	0	114.5	E138	Q136-E138 PolarHBondContact O-N 2.96Å
137	F	23	Very low	25.7	Very low	210 Å²	210	157.7 Å²	157.7	92%	0.921	80%	0.796	S	S	*	*			trans	-62.7	111.2	137.6	-103.4	-88.5	0	0	0	106.3	I139	F137-I139 PolarHBondContact O-N 3.23Å
138	E	24	Very low	25.8	Very low	164 Å²	164	157 Å²	157	77%	0.766	79%	0.793	S	S	*	*			trans	-54	107.8	176.8	-67.9	171.6	154.6	0	0	108.9	Q136 N140	Q136-E138 PolarHBondContact O-N 2.96Å; E138-N140 PolarHBondContact O-N 3.28Å
139	I	26	Very low	25.9	Very low	152 Å²	152	154.7 Å²	154.7	78%	0.779	79%	0.791	S	S	*	*			trans	-66.3	99.1	159.5	-64.3	171.6	0	0	0	103.9	F137 N141	F137-I139 PolarHBondContact O-N 3.23Å; I139-N141 PolarHBondContact O-N 3.09Å
140	N	26.5	Very low	25.8	Very low	124 Å²	124	151.4 Å²	151.4	66%	0.663	79%	0.787	S	S	*	*			trans	-50.8	110.6	167.6	-75.9	-34.1	0	0	0	107.4	E138 F142	E138-N140 PolarHBondContact O-N 3.28Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.35Å
141	N	25.5	Very low	26	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	78%	0.781	S	S	*	*			trans	-54.6	96.7	171.1	-70.8	-37	0	0	0	107.9	I139 T143	I139-N141 PolarHBondContact O-N 3.09Å; N141-T143 VanDerWaalsContact C-N 3.34Å; N141-T143 PolarHBondContact O-N 3.38Å
142	F	27.1	Very low	26.1	Very low	202 Å²	202	147.7 Å²	147.7	89%	0.886	78%	0.779	S	S	*	*			trans	-63.8	107.2	158.9	-86.7	-82.6	0	0	0	106	N140 D144	N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.35Å; F142-D144 PolarHBondContact O-N 3.38Å
143	T	28.6	Very low	26.5	Very low	125 Å²	125	141 Å²	141	77%	0.767	77%	0.769	S	S	*	*			trans	-56.2	125.3	-179.8	-24.5	0	0	0	0	108.1	N141 L145	N141-T143 VanDerWaalsContact C-N 3.34Å; N141-T143 PolarHBondContact O-N 3.38Å; T143-L145 PolarHBondContact O-N 3.32Å
144	D	27.7	Very low	26.7	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	78%	0.783	S	S	*	*			trans	-47	98.2	169	-95.4	-45.4	0	0	0	110.4	F142 S146	F142-D144 PolarHBondContact O-N 3.38Å; D144-S146 PolarHBondContact O-N 3.46Å
145	L	27.7	Very low	26.8	Very low	154 Å²	154	144.8 Å²	144.8	81%	0.806	78%	0.777	S	S	*	*			trans	-93.3	52.1	160.4	-124.7	90.9	0	0	0	108.9	T143 K147	T143-L145 PolarHBondContact O-N 3.32Å; L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 3.04Å; L145-K147 VanDerWaalsContact O-N 3.1Å
146	S	26.6	Very low	27	Very low	89 Å²	89	149 Å²	149	62%	0.622	79%	0.788	S	S	*	*			trans	-82.2	71.4	170.3	52.1	0	0	0	0	109.5	D144	D144-S146 PolarHBondContact O-N 3.46Å
147	K	28.9	Very low	27.4	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	79%	0.79	S	S	*	*			trans	-169	50.4	168.9	-110.1	170.4	-157.3	-177.7	0	113.1	L145	L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 3.04Å; L145-K147 VanDerWaalsContact O-N 3.1Å
148	N	27.6	Very low	27.9	Very low	151 Å²	151	143.5 Å²	143.5	81%	0.807	78%	0.782	S	S	*	*			trans	-119.5	101.2	157	-82.6	-17.6	0	0	0	107.8	C150	N148-C150 PolarHBondContact O-N 3.29Å
149	V	26.7	Very low	28.2	Very low	129 Å²	129	144.7 Å²	144.7	78%	0.782	79%	0.785	S	S	*	*			trans	-52.8	121.1	171.5	171.4	0	0	0	0	108	T151	V149-T151 PolarHBondContact O-N 2.97Å
150	C	24.8	Very low	28.7	Very low	118 Å²	118	143.5 Å²	143.5	80%	0.797	78%	0.784	S	S	*	*			trans	-56.5	106.4	166.1	-105.5	0	0	0	0	108.1	N148	N148-C150 PolarHBondContact O-N 3.29Å
151	T	28.7	Very low	29.1	Very low	112 Å²	112	144.4 Å²	144.4	69%	0.687	79%	0.789	S	S	*	*			trans	-88.2	113.3	156.1	51.1	0	0	0	0	106.9	V149 S153	V149-T151 PolarHBondContact O-N 2.97Å; T151-S153 VanDerWaalsContact C-N 3.32Å; T151-S153 PolarHBondContact O-N 3.28Å; T151-S153 PolarHBondContact O-OG 3.5Å
152	D	27.1	Very low	29.8	Very low	163 Å²	163	143.9 Å²	143.9	87%	0.872	79%	0.791	S	S	*	*			trans	-51.7	96.7	167.7	-64.3	-43.6	0	0	0	108.4
153	S	30.7	Very low	30.3	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	79%	0.79	S	S	*	*			trans	-107.2	114.5	168.9	33.4	0	0	0	0	105.7	T151 C155	T151-S153 VanDerWaalsContact C-N 3.32Å; T151-S153 PolarHBondContact O-N 3.28Å; T151-S153 PolarHBondContact O-OG 3.5Å; S153-C155 PolarHBondContact O-N 3.07Å
154	E	30.1	Very low	31.3	Very low	188 Å²	188	146.8 Å²	146.8	88%	0.879	79%	0.793	S	S	*	*			trans	-46.4	103.2	173.6	-62.8	174.6	153.7	0	0	108.8	E156	E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.45Å
155	C	25.8	Very low	32.5	Very low	119 Å²	119	148.1 Å²	148.1	80%	0.804	80%	0.801	S	S	*	*			trans	-77.7	91.1	174.9	-159.3	0	0	0	0	106.6	S153 N157	S153-C155 PolarHBondContact O-N 3.07Å; C155-N157 PolarHBondContact O-N 3.36Å
156	E	28.5	Very low	33.9	Very low	171 Å²	171	144.5 Å²	144.5	80%	0.799	78%	0.782	S	S	*	*			trans	-53.5	120.9	167.7	-72.7	-173.5	150.9	0	0	108.5	E154 S158	E154-E156 VanDerWaalsContact C-N 3.3Å; E154-E156 PolarHBondContact O-N 3.45Å; E156-S158 PolarHBondContact O-N 2.98Å
157	N	34	Very low	35.9	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	77%	0.772	S	S	*	*			trans	-61.2	86.8	172.1	-68.9	-43.6	0	0	0	108.9	C155 K159	C155-N157 PolarHBondContact O-N 3.36Å; N157-K159 PolarHBondContact O-N 2.95Å
158	S	32.4	Very low	37.8	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	77%	0.768	S	S	*	*			trans	-66.1	103.3	170.5	51.8	0	0	0	0	107.9	E156 V160	E156-S158 PolarHBondContact O-N 2.98Å; S158-V160 PolarHBondContact O-N 2.69Å
159	K	31.2	Very low	39.8	Very low	190 Å²	190	140.2 Å²	140.2	83%	0.826	76%	0.761	S	S	*	*			trans	-52	111.4	164.1	-86.7	175.3	171.1	176.2	0	107.3	N157 D161	N157-K159 PolarHBondContact O-N 2.95Å; K159-D161 PolarHBondContact O-N 3.44Å
160	V	35.6	Very low	42	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	74%	0.741	S	S	*	*			trans	-72.1	98.8	172.5	179.7	0	0	0	0	107	S158 V162	S158-V160 PolarHBondContact O-N 2.69Å; V160-V162 PolarHBondContact O-N 3.04Å
161	D	35	Very low	43.9	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	72%	0.723	S	S	*	*			trans	-62.1	116.8	174.6	-83.1	-32.8	0	0	0	110.1	K159 L163	K159-D161 PolarHBondContact O-N 3.44Å; D161-L163 PolarHBondContact O-N 3.39Å
162	V	42	Very low	45.7	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	71%	0.713	S	S	*	*	S	Bend	trans	-73.3	14.4	-172.7	-178.6	0	0	0	0	113.3	V160	V160-V162 PolarHBondContact O-N 3.04Å
163	L	37.7	Very low	47.7	Very low	165 Å²	165	131.2 Å²	131.2	86%	0.864	70%	0.695	S	S	*	*			trans	-111	20	-166.1	-75.2	175.4	0	0	0	116.6	D161	D161-L163 PolarHBondContact O-N 3.39Å
164	R	48	Very low	49.4	Very low	223 Å²	223	132.2 Å²	132.2	84%	0.842	69%	0.688	S	S	*	*	S	Bend	trans	-117.2	121.6	168.8	-80.5	179.6	179.9	151.8	2	110.7	L166	R164-L166 VanDerWaalsContact C-N 3.27Å; R164-L166 PolarHBondContact O-N 3.49Å
165	N	53.9	Low	50.9	Low	174 Å²	174	129.4 Å²	129.4	93%	0.93	68%	0.679	S	S	*	*			trans	-49.8	92.3	166	-64.8	-13.1	0	0	0	108.5
166	L	57.3	Low	52.8	Low	78 Å²	78	129.4 Å²	129.4	41%	0.408	67%	0.667	S	S	.	*			trans	-70.7	137.8	173	-70.3	169.5	0	0	0	107.3	R164 I170 L171	R164-L166 VanDerWaalsContact C-N 3.27Å; R164-L166 PolarHBondContact O-N 3.49Å; L166-I170 HydrophobicContact CB-CB 4.47Å; L166-I170 HydrophobicContact CD2-CD1 4.13Å; L166-I170 HydrophobicContact CD2-CG2 4.04Å; L166-L171 HydrophobicContact CB-CG 4.32Å
167	S	68	Low	54.6	Low	61 Å²	61	124 Å²	124	43%	0.427	65%	0.651	S	S	.	*			trans	-61.6	147.2	171.7	50.7	0	0	0	0	110	E169 I170 L171	S167-E169 PolarHBondContact O-N 2.94Å; S167-I170 PolarHBondContact O-N 2.99Å; S167-I170 WeakPolarHBondContact OG-CD1 3.42Å; S167-I170 WeakPolarHBondContact OG-CG1 3.01Å; S167-L171 PolarHBondContact O-N 3.25Å; S167-L171 VanDerWaalsContact O-N 3.16Å
168	D	69	Low	55.9	Low	137 Å²	137	125.5 Å²	125.5	73%	0.733	65%	0.65	S	S	*	*	H	α-helix	trans	-53	-31.2	179	-65.9	-22	0	0	0	112.1	L171 L172	D168-L171 PolarHBondContact O-N 3.29Å; D168-L172 VanDerWaalsContact O-CB 3.3Å; D168-L172 WeakPolarHBondContact O-CB 3.3Å; D168-L172 PolarHBondContact O-N 3.39Å
169	E	70.1	Confident	57.2	Low	142 Å²	142	124 Å²	124	66%	0.664	64%	0.638	S	S	*	*	H	α-helix	trans	-65.1	-39.2	175.8	-164	177.5	-162.4	0	0	112.6	S167 L172 N173	S167-E169 PolarHBondContact O-N 2.94Å; E169-L172 PolarHBondContact O-N 3.25Å; E169-N173 WeakPolarHBondContact O-CB 3.45Å; E169-N173 PolarHBondContact O-N 3.23Å; E169-N173 PolarHBondContact O-ND2 3.47Å
170	I	72.7	Confident	58.6	Low	73 Å²	73	122.8 Å²	122.8	37%	0.374	64%	0.639	S	S	.	*	H	α-helix	trans	-70.6	-41.4	175.9	-62.8	168.4	0	0	0	110.1	L166 S167 L172 N173 Q174	L166-I170 HydrophobicContact CB-CB 4.47Å; L166-I170 HydrophobicContact CD2-CD1 4.13Å; L166-I170 HydrophobicContact CD2-CG2 4.04Å; S167-I170 PolarHBondContact O-N 2.99Å; S167-I170 WeakPolarHBondContact OG-CD1 3.42Å; S167-I170 WeakPolarHBondContact OG-CG1 3.01Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.33Å; I170-N173 PolarHBondContact O-N 3.04Å; I170-Q174 WeakPolarHBondContact O-CG 3.14Å; I170-Q174 PolarHBondContact O-N 3.36Å
171	L	64.7	Low	59.7	Low	80 Å²	80	122.7 Å²	122.7	42%	0.419	63%	0.633	S	S	.	*	H	α-helix	trans	-59.8	-44.6	174.6	-80.5	162.9	0	0	0	111.2	L166 S167 D168 Q174 L175	L166-L171 HydrophobicContact CB-CG 4.32Å; S167-L171 PolarHBondContact O-N 3.25Å; S167-L171 VanDerWaalsContact O-N 3.16Å; D168-L171 PolarHBondContact O-N 3.29Å; L171-Q174 WeakPolarHBondContact O-CB 3.17Å; L171-Q174 PolarHBondContact O-N 2.96Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 2.93Å
172	L	66.7	Low	60.9	Low	91 Å²	91	118.7 Å²	118.7	48%	0.476	62%	0.616	S	S	.	*	H	α-helix	trans	-63.3	-43.7	177	-171.7	64.8	0	0	0	111.4	D168 E169 I170 Q174 L175 Q176	D168-L172 VanDerWaalsContact O-CB 3.3Å; D168-L172 WeakPolarHBondContact O-CB 3.3Å; D168-L172 PolarHBondContact O-N 3.39Å; E169-L172 PolarHBondContact O-N 3.25Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.33Å; L172-Q174 VanDerWaalsContact C-N 3.29Å; L172-Q174 PolarHBondContact O-N 3.47Å; L172-L175 PolarHBondContact O-N 3.45Å; L172-Q176 WeakPolarHBondContact O-CB 3.46Å; L172-Q176 VanDerWaalsContact O-CG 3.32Å; L172-Q176 WeakPolarHBondContact O-CG 3.12Å; L172-Q176 PolarHBondContact O-N 3.47Å
173	N	67.7	Low	61.8	Low	89 Å²	89	120.1 Å²	120.1	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-62.8	-35.6	175.6	-75	-33.2	0	0	0	112.3	E169 I170 Q176 A177	E169-N173 WeakPolarHBondContact O-CB 3.45Å; E169-N173 PolarHBondContact O-N 3.23Å; E169-N173 PolarHBondContact O-ND2 3.47Å; I170-N173 PolarHBondContact O-N 3.04Å; N173-Q176 PolarHBondContact O-N 2.82Å; N173-A177 WeakPolarHBondContact O-CB 3.21Å; N173-A177 PolarHBondContact O-N 3.13Å
174	Q	66.7	Low	62.9	Low	119 Å²	119	117.8 Å²	117.8	56%	0.556	62%	0.615	S	S	*	*	H	α-helix	trans	-67.6	-40.2	173.4	-75.1	-176.6	-14.8	0	0	112.3	I170 L171 L172 Q176 A177	I170-Q174 WeakPolarHBondContact O-CG 3.14Å; I170-Q174 PolarHBondContact O-N 3.36Å; L171-Q174 WeakPolarHBondContact O-CB 3.17Å; L171-Q174 PolarHBondContact O-N 2.96Å; L172-Q174 VanDerWaalsContact C-N 3.29Å; L172-Q174 PolarHBondContact O-N 3.47Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å; Q174-Q176 PolarHBondContact O-N 3.47Å; Q174-A177 PolarHBondContact O-N 2.77Å
175	L	62.5	Low	63.6	Low	130 Å²	130	113.8 Å²	113.8	68%	0.681	61%	0.606	S	S	*	*	H	α-helix	trans	-65.5	-32.5	174.1	-68.6	172.6	0	0	0	112	L171 L172	L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 3.45Å
176	Q	64.8	Low	64.2	Low	118 Å²	118	113.6 Å²	113.6	55%	0.551	60%	0.599	S	S	*	*	H	α-helix	trans	-84.5	-23.1	179.3	-70.1	-177	-0.7	0	0	113.9	L172 N173 Q174 K178 R210	L172-Q176 WeakPolarHBondContact O-CB 3.46Å; L172-Q176 VanDerWaalsContact O-CG 3.32Å; L172-Q176 WeakPolarHBondContact O-CG 3.12Å; L172-Q176 PolarHBondContact O-N 3.47Å; N173-Q176 PolarHBondContact O-N 2.82Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å; Q174-Q176 PolarHBondContact O-N 3.47Å; Q176-K178 PolarHBondContact O-N 3.07Å; Q176-R210 PolarHBondContact O-NH1 2.77Å
177	A	65.8	Low	64.7	Low	57 Å²	57	114.6 Å²	114.6	47%	0.471	61%	0.611	S	S	.	*	S	Bend	trans	-54.9	134.8	-178.4	0	0	0	0	0	112.2	N173 Q174 R210	N173-A177 WeakPolarHBondContact O-CB 3.21Å; N173-A177 PolarHBondContact O-N 3.13Å; Q174-A177 PolarHBondContact O-N 2.77Å; A177-R210 PolarHBondContact O-NH2 2.93Å
178	K	61.7	Low	65.1	Low	194 Å²	194	116 Å²	116	84%	0.843	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-63.7	134	177.6	-74.9	-179	178.9	176.1	0	109.8	Q176 I180	Q176-K178 PolarHBondContact O-N 3.07Å; K178-I180 PolarHBondContact O-N 2.96Å
179	P	59.6	Low	65.6	Low	74 Å²	74	114.6 Å²	114.6	48%	0.481	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-62.8	137.7	175.8	26.1	-32.1	0	0	0	109.7	L181	P179-L181 VanDerWaalsContact C-N 3.32Å; P179-L181 HydrophobicContact CG-CG 4.43Å; P179-L181 PolarHBondContact O-N 3.41Å
180	I	61.6	Low	65.9	Low	165 Å²	165	111.3 Å²	111.3	85%	0.846	59%	0.594	S	S	*	*			trans	-74.3	93	169.8	-57	170.8	0	0	0	106.1	K178 S182	K178-I180 PolarHBondContact O-N 2.96Å; I180-S182 PolarHBondContact O-N 3.29Å
181	L	57.8	Low	66.4	Low	126 Å²	126	111.9 Å²	111.9	66%	0.66	60%	0.601	S	S	*	*			trans	-79.1	102.9	171.3	-65.9	173.2	0	0	0	107.8	P179 I183	P179-L181 VanDerWaalsContact C-N 3.32Å; P179-L181 HydrophobicContact CG-CG 4.43Å; P179-L181 PolarHBondContact O-N 3.41Å; L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 2.95Å
182	S	61.2	Low	67.1	Low	57 Å²	57	114.7 Å²	114.7	40%	0.399	61%	0.61	S	S	.	*			trans	-68.3	88.2	165.6	29.8	0	0	0	0	108.8	I180 S184 Q185	I180-S182 PolarHBondContact O-N 3.29Å; S182-S184 PolarHBondContact O-N 3.09Å; S182-Q185 PolarHBondContact O-N 2.89Å; S182-Q185 VanDerWaalsContact O-N 3.11Å; S182-Q185 PolarHBondContact OG-OE1 3.11Å
183	I	59.7	Low	67.8	Low	169 Å²	169	115.2 Å²	115.2	87%	0.867	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-22.1	-178.3	-62.5	162.2	0	0	0	112.1	L181	L181-I183 VanDerWaalsContact C-N 3.28Å; L181-I183 PolarHBondContact O-N 2.95Å
184	S	61.5	Low	67.9	Low	116 Å²	116	117.8 Å²	117.8	81%	0.811	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-4.9	-178.5	56.5	0	0	0	0	115.4	S182	S182-S184 PolarHBondContact O-N 3.09Å
185	Q	63.1	Low	68.5	Low	140 Å²	140	120.1 Å²	120.1	65%	0.654	64%	0.639	S	S	*	*	S	Bend	trans	-97.3	127.5	-179.4	-74.7	177.4	-26.6	0	0	111.5	S182	S182-Q185 PolarHBondContact O-N 2.89Å; S182-Q185 VanDerWaalsContact O-N 3.11Å; S182-Q185 PolarHBondContact OG-OE1 3.11Å
186	Q	65.9	Low	69.4	Low	169 Å²	169	121.9 Å²	121.9	79%	0.79	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-59.6	144.3	168.5	-81.9	-174.6	-16.5	0	0	109.9	S188	Q186-S188 PolarHBondContact O-N 3.48Å
187	P	68.3	Low	69.6	Low	99 Å²	99	120.5 Å²	120.5	64%	0.643	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.2	178.7	25.2	-33.1	0	0	0	110.9
188	S	75.8	Confident	70.5	Confident	90 Å²	90	122.6 Å²	122.6	63%	0.629	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.1	175.6	-56.3	0	0	0	0	111.6	Q186 D203	Q186-S188 PolarHBondContact O-N 3.48Å; S188-D203 PolarHBondContact O-N 2.94Å
189	F	79.4	Confident	71.2	Confident	108 Å²	108	119.3 Å²	119.3	47%	0.474	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.2	151.6	179	57.7	-95.8	0	0	0	110.3	V191 L200	F189-V191 HydrophobicContact CD2-CG2 3.8Å; F189-V191 HydrophobicContact CE2-CG2 3.63Å; F189-L200 HydrophobicContact CD2-CD2 3.73Å; F189-L200 HydrophobicContact CE2-CD2 3.89Å
190	L	76.9	Confident	72.3	Confident	73 Å²	73	120.9 Å²	120.9	38%	0.382	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.3	127.6	172.3	-63	175.9	0	0	0	109.2	L200 T201 D203	L190-L200 WeakPolarHBondContact O-CA 3.38Å; L190-T201 PolarHBondContact N-O 3.31Å; L190-T201 PolarHBondContact O-N 3.13Å; L190-T201 PolarHBondContact O-OG1 3.32Å; L190-D203 HydrophobicContact CG-CB 4.21Å
191	V	83.7	Confident	72.9	Confident	86 Å²	86	115.2 Å²	115.2	52%	0.521	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	123.6	174.4	-171.7	0	0	0	0	109	F189 V198 L200	F189-V191 HydrophobicContact CD2-CG2 3.8Å; F189-V191 HydrophobicContact CE2-CG2 3.63Å; V191-V198 HydrophobicContact CG1-CG1 3.29Å; V191-L200 HydrophobicContact CB-CD2 4.11Å; V191-L200 HydrophobicContact CG1-CD2 4.05Å; V191-L200 HydrophobicContact CG2-CD2 3.47Å; V191-L200 VanDerWaalsContact CG2-CD2 3.47Å
192	K	78.2	Confident	73.7	Confident	139 Å²	139	114 Å²	114	60%	0.604	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	169.3	-72.1	-172.3	175.6	-175.7	0	109.4	M199	K192-M199 PolarHBondContact N-O 3.36Å; K192-M199 PolarHBondContact O-N 2.87Å
193	S	81.3	Confident	74.4	Confident	101 Å²	101	114.4 Å²	114.4	71%	0.706	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.6	129.7	169.5	47.3	0	0	0	0	109.9	T197	S193-T197 WeakPolarHBondContact CA-O 3.36Å
194	F	70.8	Confident	75	Confident	143 Å²	143	112.6 Å²	112.6	63%	0.627	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.6	121.1	169.9	-172.3	-97	0	0	0	108.5	N196 T197	F194-N196 PolarHBondContact O-N 2.89Å; F194-T197 PolarHBondContact N-O 3.42Å; F194-T197 PolarHBondContact O-N 2.68Å; F194-T197 VanDerWaalsContact O-O 3.14Å; F194-T197 PolarHBondContact O-OG1 2.97Å
195	E	79.5	Confident	75.3	Confident	168 Å²	168	116.4 Å²	116.4	79%	0.785	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.8	-106	-171.7	-60.7	177.8	172.7	0	0	111.8
196	N	80.8	Confident	75.5	Confident	167 Å²	167	115.2 Å²	115.2	89%	0.893	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	11.3	178.3	-71.3	-12.5	0	0	0	113.1	F194	F194-N196 PolarHBondContact O-N 2.89Å
197	T	68.7	Low	75.3	Confident	89 Å²	89	112.2 Å²	112.2	55%	0.546	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.2	130.8	-179.2	56.1	0	0	0	0	111.1	S193 F194	S193-T197 WeakPolarHBondContact CA-O 3.36Å; F194-T197 PolarHBondContact N-O 3.42Å; F194-T197 PolarHBondContact O-N 2.68Å; F194-T197 VanDerWaalsContact O-O 3.14Å; F194-T197 PolarHBondContact O-OG1 2.97Å
198	V	85.1	Confident	75	Confident	102 Å²	102	114 Å²	114	62%	0.618	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.9	112.6	174.2	-179.1	0	0	0	0	107.5	V191	V191-V198 HydrophobicContact CG1-CG1 3.29Å
199	M	77.1	Confident	74.4	Confident	125 Å²	125	120.1 Å²	120.1	62%	0.616	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	124.5	-178.3	-148.7	178.3	177.7	0	0	109.4	K192	K192-M199 PolarHBondContact N-O 3.36Å; K192-M199 PolarHBondContact O-N 2.87Å
200	L	81.1	Confident	73.4	Confident	107 Å²	107	121.2 Å²	121.2	56%	0.56	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.8	108.3	175.9	-57.8	176.5	0	0	0	108.4	F189 L190 V191	F189-L200 HydrophobicContact CD2-CD2 3.73Å; F189-L200 HydrophobicContact CE2-CD2 3.89Å; L190-L200 WeakPolarHBondContact O-CA 3.38Å; V191-L200 HydrophobicContact CB-CD2 4.11Å; V191-L200 HydrophobicContact CG1-CD2 4.05Å; V191-L200 HydrophobicContact CG2-CD2 3.47Å; V191-L200 VanDerWaalsContact CG2-CD2 3.47Å
201	T	74.7	Confident	72.6	Confident	45 Å²	45	123.3 Å²	123.3	28%	0.276	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	139.6	172.5	52.7	0	0	0	0	109.7	L190	L190-T201 PolarHBondContact N-O 3.31Å; L190-T201 PolarHBondContact O-N 3.13Å; L190-T201 PolarHBondContact O-OG1 3.32Å
202	P	75.4	Confident	71.5	Confident	102 Å²	102	125.6 Å²	125.6	66%	0.662	66%	0.658	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.4	141.3	173.2	24.9	-31.8	0	0	0	110.4
203	D	75.4	Confident	70.6	Confident	65 Å²	65	122.5 Å²	122.5	35%	0.348	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-66.2	156.9	177	-157	-2.5	0	0	0	111.2	S188 L190 R205	S188-D203 PolarHBondContact O-N 2.94Å; L190-D203 HydrophobicContact CG-CB 4.21Å; D203-R205 PolarHBondContact O-N 3.28Å
204	V	72.9	Confident	69.6	Low	131 Å²	131	126.4 Å²	126.4	79%	0.794	66%	0.661	S	S	*	*			trans	-66.5	103.6	178.8	179	0	0	0	0	108.3
205	R	67.6	Low	69.3	Low	196 Å²	196	126 Å²	126	74%	0.74	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-90.3	122.3	175.6	-69.6	-176.5	-68.3	166.3	-0.6	109.5	D203 T207	D203-R205 PolarHBondContact O-N 3.28Å; R205-T207 PolarHBondContact O-N 3.45Å
206	P	66.6	Low	68.4	Low	114 Å²	114	126 Å²	126	74%	0.74	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57.1	139.7	161.9	24.1	-29.6	0	0	0	108.6	D208	P206-D208 PolarHBondContact O-N 3.06Å
207	T	62	Low	67.5	Low	106 Å²	106	125.3 Å²	125.3	65%	0.65	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.3	126	-179.7	52.5	0	0	0	0	110.2	R205 R209	R205-T207 PolarHBondContact O-N 3.45Å; T207-R209 PolarHBondContact O-N 3.42Å
208	D	62.3	Low	67.4	Low	136 Å²	136	129.5 Å²	129.5	73%	0.727	68%	0.679	S	S	*	*			trans	-67.5	13.7	172	-75.4	-26.7	0	0	0	114.1	P206 R210	P206-D208 PolarHBondContact O-N 3.06Å; D208-R210 PolarHBondContact O-N 3.24Å; D208-R210 VanDerWaalsContact O-N 3.14Å
209	R	62.4	Low	66.6	Low	219 Å²	219	131 Å²	131	83%	0.826	69%	0.688	S	S	*	*			trans	-71.8	110.4	-178.8	-69.7	-177.8	176.9	173.9	-0.7	109.1	T207	T207-R209 PolarHBondContact O-N 3.42Å
210	R	59.9	Low	66.2	Low	132 Å²	132	131.7 Å²	131.7	50%	0.498	69%	0.692	S	S	.	*			trans	-83.6	133.2	169.6	-66	-176.3	-179.6	-162	-7.9	109.8	Q176 A177 D208 V212	Q176-R210 PolarHBondContact O-NH1 2.77Å; A177-R210 PolarHBondContact O-NH2 2.93Å; D208-R210 PolarHBondContact O-N 3.24Å; D208-R210 VanDerWaalsContact O-N 3.14Å; R210-V212 WeakPolarHBondContact O-CG2 3.28Å; R210-V212 PolarHBondContact O-N 3.2Å
211	C	58.8	Low	65.9	Low	116 Å²	116	129 Å²	129	78%	0.784	69%	0.69	S	S	*	*			trans	-70.1	116.9	165.6	-164	0	0	0	0	107.8	S213	C211-S213 PolarHBondContact SG-OG 3.04Å
212	V	60.2	Low	65.8	Low	134 Å²	134	132.9 Å²	132.9	81%	0.812	72%	0.716	S	S	*	*			trans	-99.2	7.8	-177.7	-154.7	0	0	0	0	111.5	R210 E214	R210-V212 WeakPolarHBondContact O-CG2 3.28Å; R210-V212 PolarHBondContact O-N 3.2Å; V212-E214 PolarHBondContact O-N 3.29Å
213	S	60.6	Low	65.5	Low	75 Å²	75	136.6 Å²	136.6	52%	0.524	72%	0.722	S	S	.	*			trans	-79.5	111.5	179.3	61.3	0	0	0	0	110.3	C211 N215	C211-S213 PolarHBondContact SG-OG 3.04Å; S213-N215 PolarHBondContact O-N 3.18Å
214	E	60.5	Low	65.1	Low	183 Å²	183	139.7 Å²	139.7	86%	0.855	73%	0.729	S	S	*	*			trans	-76.8	17	167.4	-65.5	-177.3	170.4	0	0	112.7	V212 L216	V212-E214 PolarHBondContact O-N 3.29Å; E214-L216 PolarHBondContact O-N 3.41Å
215	N	63.7	Low	65.1	Low	133 Å²	133	137.4 Å²	137.4	71%	0.711	71%	0.712	S	S	*	*			trans	-76	74.2	-179.9	-64.4	-1.9	0	0	0	109.7	S213 L217	S213-N215 PolarHBondContact O-N 3.18Å; N215-L217 PolarHBondContact O-N 3.07Å
216	L	60.9	Low	65	Low	169 Å²	169	135.3 Å²	135.3	89%	0.885	71%	0.71	S	S	*	*			trans	-66	87.7	159.5	-78	163	0	0	0	106.8	E214 Q218	E214-L216 PolarHBondContact O-N 3.41Å; L216-Q218 PolarHBondContact O-N 3.21Å
217	L	61.3	Low	65.1	Low	153 Å²	153	140 Å²	140	80%	0.801	72%	0.715	S	S	*	*			trans	-59.9	109.1	167	-71.4	169.6	0	0	0	106.6	N215 T219	N215-L217 PolarHBondContact O-N 3.07Å; L217-T219 PolarHBondContact O-N 3.26Å
218	Q	67.9	Low	65.6	Low	177 Å²	177	137.4 Å²	137.4	83%	0.827	70%	0.704	S	S	*	*			trans	-64.5	107.7	172.6	-165.9	167.6	19.6	0	0	106.7	L216 M220	L216-Q218 PolarHBondContact O-N 3.21Å; Q218-M220 PolarHBondContact O-N 3.03Å
219	T	66.6	Low	65.7	Low	132 Å²	132	139.2 Å²	139.2	81%	0.81	71%	0.705	S	S	*	*			trans	-66	108	177.3	48.6	0	0	0	0	107.8	L217	L217-T219 PolarHBondContact O-N 3.26Å
220	M	69.7	Low	66.2	Low	141 Å²	141	134.8 Å²	134.8	70%	0.695	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-73.8	134	163.8	-61.5	-113.2	76.8	0	0	106.6	Q218	Q218-M220 PolarHBondContact O-N 3.03Å
221	G	75.4	Confident	66.7	Low	51 Å²	51	130.4 Å²	130.4	53%	0.526	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-61.5	169.7	171.3	0	0	0	0	0	111.5	F223	G221-F223 PolarHBondContact O-N 3.48Å
222	P	70.9	Confident	67.5	Low	125 Å²	125	130.1 Å²	130.1	81%	0.812	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55.1	132.3	173.4	24.3	-32.3	0	0	0	109.7	W224	P222-W224 VanDerWaalsContact C-N 3.27Å; P222-W224 PolarHBondContact O-N 2.88Å
223	F	69	Low	68.2	Low	180 Å²	180	131.7 Å²	131.7	79%	0.789	67%	0.671	S	S	*	*	S	Bend	trans	-68.7	-26.8	-177.7	-81.1	-80.6	0	0	0	112.9	G221	G221-F223 PolarHBondContact O-N 3.48Å
224	W	67.5	Low	69	Low	131 Å²	131	134.8 Å²	134.8	50%	0.496	68%	0.677	S	S	.	*			trans	-150.2	151.3	-176	48.1	-66.5	0	0	0	109.6	P222 E226 V231	P222-W224 VanDerWaalsContact C-N 3.27Å; P222-W224 PolarHBondContact O-N 2.88Å; W224-E226 HydrophobicContact CE3-CG 4.47Å; W224-E226 HydrophobicContact CZ3-CG 4.2Å; W224-V231 HydrophobicContact CB-CG2 4.4Å; W224-V231 HydrophobicContact CD2-CG2 4.01Å; W224-V231 HydrophobicContact CE3-CB 4.2Å; W224-V231 HydrophobicContact CE3-CG2 3.37Å; W224-V231 HydrophobicContact CG-CG2 4.46Å; W224-V231 HydrophobicContact CZ3-CB 4.29Å; W224-V231 HydrophobicContact CZ3-CG2 3.88Å
225	N	72.7	Confident	69.8	Low	83 Å²	83	128.8 Å²	128.8	44%	0.444	65%	0.653	S	S	.	*			trans	-115.7	111.4	-179.7	-176.4	1.1	0	0	0	110.1	Y227 A228 E230	N225-Y227 PolarHBondContact O-N 2.75Å; N225-Y227 VanDerWaalsContact O-N 3.17Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.47Å; N225-Y227 PolarHBondContact OD1-N 3.39Å; N225-A228 HydrophobicContact CB-CB 4.03Å; N225-A228 WeakPolarHBondContact O-CB 3.3Å; N225-A228 PolarHBondContact O-N 3.43Å; N225-E230 PolarHBondContact N-OE2 3Å
226	E	66.4	Low	70.4	Confident	151 Å²	151	125.4 Å²	125.4	71%	0.706	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-54.1	-36.6	178.9	-76.1	-175.9	156	0	0	112.6	W224 A228 K229	W224-E226 HydrophobicContact CE3-CG 4.47Å; W224-E226 HydrophobicContact CZ3-CG 4.2Å; E226-A228 VanDerWaalsContact C-N 3.25Å; E226-A228 PolarHBondContact O-N 2.98Å; E226-K229 PolarHBondContact O-N 3.39Å; E226-K229 VanDerWaalsContact O-N 3.16Å
227	Y	68.1	Low	71.2	Confident	213 Å²	213	122.2 Å²	122.2	84%	0.835	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-68.8	-24.2	179.7	-63.1	-76.4	0	0	0	113.3	N225 K229	N225-Y227 PolarHBondContact O-N 2.75Å; N225-Y227 VanDerWaalsContact O-N 3.17Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.47Å; N225-Y227 PolarHBondContact OD1-N 3.39Å; Y227-K229 PolarHBondContact O-N 2.94Å
228	A	72.2	Confident	72	Confident	51 Å²	51	119.4 Å²	119.4	42%	0.421	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-79.6	-7.1	177.6	0	0	0	0	0	112.6	N225 E226 E230	N225-A228 HydrophobicContact CB-CB 4.03Å; N225-A228 WeakPolarHBondContact O-CB 3.3Å; N225-A228 PolarHBondContact O-N 3.43Å; E226-A228 VanDerWaalsContact C-N 3.25Å; E226-A228 PolarHBondContact O-N 2.98Å; A228-E230 HydrophobicContact CB-CG 3.8Å; A228-E230 PolarHBondContact O-N 2.87Å
229	K	65.8	Low	72.3	Confident	174 Å²	174	116.4 Å²	116.4	76%	0.757	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.1	36	-173.7	-59.1	-174.8	176.6	-172.8	0	112.5	E226 Y227 V231	E226-K229 PolarHBondContact O-N 3.39Å; E226-K229 VanDerWaalsContact O-N 3.16Å; Y227-K229 PolarHBondContact O-N 2.94Å; K229-V231 PolarHBondContact O-N 3.04Å
230	E	71.9	Confident	72.9	Confident	126 Å²	126	114.5 Å²	114.5	59%	0.589	58%	0.575	S	S	*	*			trans	-68.4	-20.4	177.7	-74.3	170.7	171.9	0	0	112.4	N225 A228	N225-E230 PolarHBondContact N-OE2 3Å; A228-E230 HydrophobicContact CB-CG 3.8Å; A228-E230 PolarHBondContact O-N 2.87Å
231	V	70.4	Confident	73.3	Confident	41 Å²	41	116.2 Å²	116.2	25%	0.248	57%	0.573	C	S	.	*	S	Bend	trans	-110.2	108.6	178.5	-173.3	0	0	0	0	108.7	W224 K229 N236	W224-V231 HydrophobicContact CB-CG2 4.4Å; W224-V231 HydrophobicContact CD2-CG2 4.01Å; W224-V231 HydrophobicContact CE3-CB 4.2Å; W224-V231 HydrophobicContact CE3-CG2 3.37Å; W224-V231 HydrophobicContact CG-CG2 4.46Å; W224-V231 HydrophobicContact CZ3-CB 4.29Å; W224-V231 HydrophobicContact CZ3-CG2 3.88Å; K229-V231 PolarHBondContact O-N 3.04Å; V231-N236 WeakPolarHBondContact CG1-OD1 3.14Å
232	D	75.3	Confident	73.2	Confident	110 Å²	110	120.9 Å²	120.9	59%	0.588	59%	0.587	S	S	*	*			trans	-67	154.8	173.8	-62.7	-44.7	0	0	0	111.5	E234 T235 N236	D232-E234 PolarHBondContact O-N 3.47Å; D232-T235 PolarHBondContact N-OG1 3.49Å; D232-T235 WeakPolarHBondContact O-CB 2.95Å; D232-T235 PolarHBondContact O-N 3.33Å; D232-T235 PolarHBondContact O-OG1 3.15Å; D232-N236 PolarHBondContact O-N 2.91Å; D232-N236 VanDerWaalsContact O-N 3.07Å
233	E	75.2	Confident	73.2	Confident	167 Å²	167	120.5 Å²	120.5	78%	0.78	58%	0.577	S	S	*	*	H	α-helix	trans	-60	-32.8	-179.9	-155.6	166.8	-148.4	0	0	111.7	N236 I237	E233-N236 PolarHBondContact O-N 3.27Å; E233-I237 WeakPolarHBondContact O-CG1 3.4Å; E233-I237 PolarHBondContact O-N 2.98Å
234	E	78.3	Confident	73.2	Confident	139 Å²	139	116.3 Å²	116.3	65%	0.65	57%	0.568	S	S	*	*	H	α-helix	trans	-67.4	-37.3	174.9	-170.3	170.1	-166.7	0	0	112.4	D232 I237 Q238	D232-E234 PolarHBondContact O-N 3.47Å; E234-I237 PolarHBondContact O-N 2.78Å; E234-Q238 WeakPolarHBondContact O-CG 3.42Å; E234-Q238 PolarHBondContact O-N 2.99Å
235	T	77.4	Confident	73.2	Confident	57 Å²	57	118.1 Å²	118.1	35%	0.35	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-39.7	176	-16.9	0	0	0	0	110.8	D232 Q238 L239	D232-T235 PolarHBondContact N-OG1 3.49Å; D232-T235 WeakPolarHBondContact O-CB 2.95Å; D232-T235 PolarHBondContact O-N 3.33Å; D232-T235 PolarHBondContact O-OG1 3.15Å; T235-Q238 WeakPolarHBondContact O-CB 3.4Å; T235-Q238 PolarHBondContact O-N 3.38Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.38Å; T235-L239 PolarHBondContact O-N 3.47Å
236	N	76	Confident	72.7	Confident	63 Å²	63	119.4 Å²	119.4	34%	0.337	59%	0.591	S	S	.	*	H	α-helix	trans	-59.6	-47	172.8	-87.2	-5.8	0	0	0	111.8	V231 D232 E233 Q238 L239 D240	V231-N236 WeakPolarHBondContact CG1-OD1 3.14Å; D232-N236 PolarHBondContact O-N 2.91Å; D232-N236 VanDerWaalsContact O-N 3.07Å; E233-N236 PolarHBondContact O-N 3.27Å; N236-Q238 PolarHBondContact O-N 3.43Å; N236-L239 PolarHBondContact O-N 3.45Å; N236-L239 VanDerWaalsContact O-N 3.11Å; N236-D240 WeakPolarHBondContact O-CB 3.49Å; N236-D240 PolarHBondContact O-N 2.98Å
237	I	78	Confident	72.9	Confident	101 Å²	101	115.9 Å²	115.9	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-59.2	-39.4	176	-66.1	164	0	0	0	110.7	E233 E234 D240 R241	E233-I237 WeakPolarHBondContact O-CG1 3.4Å; E233-I237 PolarHBondContact O-N 2.98Å; E234-I237 PolarHBondContact O-N 2.78Å; I237-D240 PolarHBondContact O-N 3.38Å; I237-R241 WeakPolarHBondContact O-CG 3.33Å; I237-R241 PolarHBondContact O-N 3.06Å
238	Q	78.4	Confident	73.1	Confident	95 Å²	95	112.5 Å²	112.5	44%	0.444	57%	0.569	S	S	.	*	H	α-helix	trans	-66.7	-37.3	177.2	-72.8	179.7	30.4	0	0	113.1	E234 T235 N236	E234-Q238 WeakPolarHBondContact O-CG 3.42Å; E234-Q238 PolarHBondContact O-N 2.99Å; T235-Q238 WeakPolarHBondContact O-CB 3.4Å; T235-Q238 PolarHBondContact O-N 3.38Å; N236-Q238 PolarHBondContact O-N 3.43Å
239	L	74.1	Confident	73.2	Confident	113 Å²	113	114.3 Å²	114.3	59%	0.592	57%	0.571	S	S	*	*	H	α-helix	trans	-68.6	-38.3	175.4	-67.1	172.6	0	0	0	111.2	T235 N236 R241	T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.38Å; T235-L239 PolarHBondContact O-N 3.47Å; N236-L239 PolarHBondContact O-N 3.45Å; N236-L239 VanDerWaalsContact O-N 3.11Å; L239-R241 PolarHBondContact O-N 3.01Å
240	D	78.5	Confident	73.6	Confident	93 Å²	93	111.1 Å²	111.1	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-79.8	-10.9	-179.2	-69.6	-20.1	0	0	0	114	N236 I237 N242 L243	N236-D240 WeakPolarHBondContact O-CB 3.49Å; N236-D240 PolarHBondContact O-N 2.98Å; I237-D240 PolarHBondContact O-N 3.38Å; D240-N242 PolarHBondContact O-N 3.44Å; D240-L243 WeakPolarHBondContact O-CB 3.45Å; D240-L243 PolarHBondContact O-N 3.09Å
241	R	77.8	Confident	73.8	Confident	176 Å²	176	109.7 Å²	109.7	66%	0.664	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-28.8	177.1	-85.8	172.6	-169.6	-178.1	3.7	113.8	I237 L239	I237-R241 WeakPolarHBondContact O-CG 3.33Å; I237-R241 PolarHBondContact O-N 3.06Å; L239-R241 PolarHBondContact O-N 3.01Å
242	N	72.8	Confident	74	Confident	150 Å²	150	111.9 Å²	111.9	80%	0.802	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-0.9	179	-64.1	-34.4	0	0	0	113.1	D240 P244	D240-N242 PolarHBondContact O-N 3.44Å; N242-P244 VanDerWaalsContact O-CD 3.28Å; N242-P244 WeakPolarHBondContact O-CD 3.48Å
243	L	72.3	Confident	74	Confident	117 Å²	117	112.5 Å²	112.5	61%	0.613	56%	0.563	S	S	*	*	S	Bend	trans	-74.9	115.6	175.8	-159.8	78	0	0	0	107.6	D240 I245	D240-L243 WeakPolarHBondContact O-CB 3.45Å; D240-L243 PolarHBondContact O-N 3.09Å; L243-I245 PolarHBondContact O-N 2.71Å
244	P	68.1	Low	74.1	Confident	91 Å²	91	108 Å²	108	59%	0.591	55%	0.548	S	S	*	.			trans	-61.5	129	175.6	23.8	-29.9	0	0	0	108.6	N242 I246	N242-P244 VanDerWaalsContact O-CD 3.28Å; N242-P244 WeakPolarHBondContact O-CD 3.48Å; P244-I246 HydrophobicContact CG-CG1 4.44Å; P244-I246 PolarHBondContact O-N 3.39Å
245	I	67.3	Low	74.1	Confident	170 Å²	170	108.3 Å²	108.3	87%	0.872	54%	0.544	S	S	*	.			trans	-67.5	90.9	166.9	-57.8	165.4	0	0	0	105.3	L243 D247	L243-I245 PolarHBondContact O-N 2.71Å; I245-D247 PolarHBondContact O-N 3.02Å
246	I	62.9	Low	73.9	Confident	110 Å²	110	110 Å²	110	56%	0.564	55%	0.55	S	S	*	*			trans	-67.9	114.4	172.2	-63	163.2	0	0	0	104.7	P244 E248	P244-I246 HydrophobicContact CG-CG1 4.44Å; P244-I246 PolarHBondContact O-N 3.39Å; I246-E248 VanDerWaalsContact C-N 3.34Å; I246-E248 PolarHBondContact O-N 3.29Å
247	D	71.2	Confident	73.9	Confident	76 Å²	76	111.3 Å²	111.3	41%	0.406	56%	0.556	S	S	.	*			trans	-66.1	101.8	169.6	-170.6	-1.1	0	0	0	106.5	I245 N249 D250	I245-D247 PolarHBondContact O-N 3.02Å; D247-N249 PolarHBondContact O-N 3.45Å; D247-N249 VanDerWaalsContact OD1-CB 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.45Å; D247-N249 VanDerWaalsContact OD1-CG 3.29Å; D247-N249 PolarHBondContact OD1-N 3.49Å; D247-N249 PolarHBondContact OD1-ND2 2.9Å; D247-D250 WeakPolarHBondContact O-CB 3.35Å; D247-D250 PolarHBondContact O-N 3.12Å
248	E	71	Confident	73.6	Confident	143 Å²	143	112.7 Å²	112.7	67%	0.668	56%	0.564	S	S	*	*	H	α-helix	trans	-51.4	-27	177.7	-65.1	179.2	175.4	0	0	110.9	I246 D250 E251 I252	I246-E248 VanDerWaalsContact C-N 3.34Å; I246-E248 PolarHBondContact O-N 3.29Å; E248-D250 PolarHBondContact O-N 3.45Å; E248-E251 PolarHBondContact O-N 2.99Å; E248-I252 WeakPolarHBondContact O-CB 3.16Å; E248-I252 WeakPolarHBondContact O-CD1 3.44Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.45Å
249	N	75	Confident	73.4	Confident	88 Å²	88	113.6 Å²	113.6	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-61.6	-41.7	175	-59.2	-50.2	0	0	0	112.1	D247 E251 I252 F253	D247-N249 PolarHBondContact O-N 3.45Å; D247-N249 VanDerWaalsContact OD1-CB 3.25Å; D247-N249 WeakPolarHBondContact OD1-CB 3.45Å; D247-N249 VanDerWaalsContact OD1-CG 3.29Å; D247-N249 PolarHBondContact OD1-N 3.49Å; D247-N249 PolarHBondContact OD1-ND2 2.9Å; N249-E251 VanDerWaalsContact C-N 3.3Å; N249-E251 PolarHBondContact O-N 2.95Å; N249-I252 PolarHBondContact O-N 3.5Å; N249-F253 HydrophobicContact CB-CD2 4.31Å; N249-F253 HydrophobicContact CB-CE2 4.13Å; N249-F253 WeakPolarHBondContact O-CB 3.34Å; N249-F253 WeakPolarHBondContact O-CD2 3.41Å; N249-F253 WeakPolarHBondContact O-CG 3.3Å; N249-F253 PolarHBondContact O-N 3.3Å
250	D	74.2	Confident	73	Confident	108 Å²	108	111.9 Å²	111.9	58%	0.578	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-36.6	177.9	-81.6	-18.1	0	0	0	111.3	D247 E248 T254	D247-D250 WeakPolarHBondContact O-CB 3.35Å; D247-D250 PolarHBondContact O-N 3.12Å; E248-D250 PolarHBondContact O-N 3.45Å; D250-T254 WeakPolarHBondContact O-CB 3.3Å; D250-T254 PolarHBondContact O-N 3.26Å; D250-T254 PolarHBondContact O-OG1 3.05Å
251	E	75.2	Confident	72.2	Confident	96 Å²	96	110 Å²	110	45%	0.449	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-46.3	174.6	-132.9	-179	-166.8	0	0	110.8	E248 N249 F253 T254 Y255	E248-E251 PolarHBondContact O-N 2.99Å; N249-E251 VanDerWaalsContact C-N 3.3Å; N249-E251 PolarHBondContact O-N 2.95Å; E251-F253 PolarHBondContact O-N 3.37Å; E251-T254 VanDerWaalsContact CA-OG1 3.26Å; E251-T254 WeakPolarHBondContact CA-OG1 3.35Å; E251-T254 PolarHBondContact O-N 2.95Å; E251-T254 PolarHBondContact O-OG1 2.93Å; E251-Y255 HydrophobicContact CB-CE2 4.45Å; E251-Y255 HydrophobicContact CG-CD2 4.33Å; E251-Y255 HydrophobicContact CG-CE2 3.83Å; E251-Y255 WeakPolarHBondContact O-CB 3.26Å; E251-Y255 WeakPolarHBondContact O-CD2 3.23Å; E251-Y255 PolarHBondContact O-N 3.29Å
252	I	75.9	Confident	71.5	Confident	87 Å²	87	109.2 Å²	109.2	45%	0.446	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-44.8	174.9	-67.7	163.4	0	0	0	110.7	E248 N249 Y255 L256	E248-I252 WeakPolarHBondContact O-CB 3.16Å; E248-I252 WeakPolarHBondContact O-CD1 3.44Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.45Å; N249-I252 PolarHBondContact O-N 3.5Å; I252-Y255 PolarHBondContact O-N 3.47Å; I252-L256 HydrophobicContact CG2-CD1 4.01Å; I252-L256 HydrophobicContact CG2-CG 4.39Å; I252-L256 WeakPolarHBondContact O-CB 3.38Å; I252-L256 VanDerWaalsContact O-CG 3.32Å; I252-L256 WeakPolarHBondContact O-CG 3.44Å; I252-L256 PolarHBondContact O-N 3.24Å
253	F	75.4	Confident	70.6	Confident	122 Å²	122	108.1 Å²	108.1	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-64.9	-40.7	177.4	-76	-57.8	0	0	0	111.8	N249 E251 L256 I257	N249-F253 HydrophobicContact CB-CD2 4.31Å; N249-F253 HydrophobicContact CB-CE2 4.13Å; N249-F253 WeakPolarHBondContact O-CB 3.34Å; N249-F253 WeakPolarHBondContact O-CD2 3.41Å; N249-F253 WeakPolarHBondContact O-CG 3.3Å; N249-F253 PolarHBondContact O-N 3.3Å; E251-F253 PolarHBondContact O-N 3.37Å; F253-L256 PolarHBondContact O-N 3.41Å; F253-I257 WeakPolarHBondContact O-CB 3.46Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.04Å; F253-I257 PolarHBondContact O-N 2.96Å
254	T	77.1	Confident	69.7	Low	74 Å²	74	110.5 Å²	110.5	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-65.5	-39.1	174.6	35	0	0	0	0	112	D250 E251 N258	D250-T254 WeakPolarHBondContact O-CB 3.3Å; D250-T254 PolarHBondContact O-N 3.26Å; D250-T254 PolarHBondContact O-OG1 3.05Å; E251-T254 VanDerWaalsContact CA-OG1 3.26Å; E251-T254 WeakPolarHBondContact CA-OG1 3.35Å; E251-T254 PolarHBondContact O-N 2.95Å; E251-T254 PolarHBondContact O-OG1 2.93Å; T254-N258 WeakPolarHBondContact O-CB 3.46Å; T254-N258 PolarHBondContact O-N 3.38Å; T254-N258 PolarHBondContact O-ND2 3.2Å; T254-N258 VanDerWaalsContact O-ND2 3.13Å
255	Y	76.8	Confident	68.9	Low	145 Å²	145	109.9 Å²	109.9	57%	0.569	56%	0.558	S	S	*	*	H	α-helix	trans	-63.5	-43.2	172.3	-77.4	-60.9	0	0	0	112.4	E251 I252 N258 T259	E251-Y255 HydrophobicContact CB-CE2 4.45Å; E251-Y255 HydrophobicContact CG-CD2 4.33Å; E251-Y255 HydrophobicContact CG-CE2 3.83Å; E251-Y255 WeakPolarHBondContact O-CB 3.26Å; E251-Y255 WeakPolarHBondContact O-CD2 3.23Å; E251-Y255 PolarHBondContact O-N 3.29Å; I252-Y255 PolarHBondContact O-N 3.47Å; Y255-N258 PolarHBondContact O-N 3.24Å; Y255-T259 WeakPolarHBondContact O-CB 3.26Å; Y255-T259 PolarHBondContact O-N 3.05Å; Y255-T259 PolarHBondContact O-OG1 3.49Å
256	L	74.8	Confident	68.2	Low	93 Å²	93	106.1 Å²	106.1	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-46.3	176.5	-74.3	172.8	0	0	0	111.6	I252 F253 N258 T259 I260	I252-L256 HydrophobicContact CG2-CD1 4.01Å; I252-L256 HydrophobicContact CG2-CG 4.39Å; I252-L256 WeakPolarHBondContact O-CB 3.38Å; I252-L256 VanDerWaalsContact O-CG 3.32Å; I252-L256 WeakPolarHBondContact O-CG 3.44Å; I252-L256 PolarHBondContact O-N 3.24Å; F253-L256 PolarHBondContact O-N 3.41Å; L256-N258 VanDerWaalsContact C-N 3.26Å; L256-N258 PolarHBondContact O-N 3Å; L256-T259 PolarHBondContact O-N 3.31Å; L256-T259 VanDerWaalsContact O-N 3.08Å; L256-I260 WeakPolarHBondContact O-CG1 3.34Å; L256-I260 PolarHBondContact O-N 2.81Å
257	I	74.2	Confident	67.4	Low	90 Å²	90	108 Å²	108	46%	0.462	55%	0.545	S	S	.	.	H	α-helix	trans	-59.5	-39.7	176.6	-70.3	166.1	0	0	0	110.8	F253 T259 N265	F253-I257 WeakPolarHBondContact O-CB 3.46Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.04Å; F253-I257 PolarHBondContact O-N 2.96Å; I257-T259 VanDerWaalsContact C-N 3.33Å; I257-N265 PolarHBondContact O-ND2 2.9Å
258	N	73.4	Confident	66.2	Low	129 Å²	129	110.3 Å²	110.3	69%	0.69	55%	0.551	S	S	*	*	H	α-helix	trans	-71.5	-26.1	177.8	-72.1	-24.3	0	0	0	113.4	T254 Y255 L256	T254-N258 WeakPolarHBondContact O-CB 3.46Å; T254-N258 PolarHBondContact O-N 3.38Å; T254-N258 PolarHBondContact O-ND2 3.2Å; T254-N258 VanDerWaalsContact O-ND2 3.13Å; Y255-N258 PolarHBondContact O-N 3.24Å; L256-N258 VanDerWaalsContact C-N 3.26Å; L256-N258 PolarHBondContact O-N 3Å
259	T	73.8	Confident	65	Low	115 Å²	115	109 Å²	109	71%	0.706	54%	0.544	S	S	*	.	H	α-helix	trans	-82.7	-30.3	-179.9	-50	0	0	0	0	112	Y255 L256 I257 A261	Y255-T259 WeakPolarHBondContact O-CB 3.26Å; Y255-T259 PolarHBondContact O-N 3.05Å; Y255-T259 PolarHBondContact O-OG1 3.49Å; L256-T259 PolarHBondContact O-N 3.31Å; L256-T259 VanDerWaalsContact O-N 3.08Å; I257-T259 VanDerWaalsContact C-N 3.33Å; T259-A261 PolarHBondContact O-N 3.12Å
260	I	66.3	Low	63.6	Low	76 Å²	76	109.3 Å²	109.3	39%	0.39	55%	0.549	S	S	.	.	S	Bend	trans	-63.7	123.9	174.5	-64.7	162.5	0	0	0	108.5	L256 K262 F264 N265	L256-I260 WeakPolarHBondContact O-CG1 3.34Å; L256-I260 PolarHBondContact O-N 2.81Å; I260-K262 PolarHBondContact O-N 3.33Å; I260-F264 HydrophobicContact CG2-CB 3.72Å; I260-N265 WeakPolarHBondContact CG2-OD1 3.31Å
261	A	61	Low	62.2	Low	55 Å²	55	107.5 Å²	107.5	46%	0.455	55%	0.545	S	S	.	.			trans	-54.5	135.7	176.9	0	0	0	0	0	109.9	T259 D263 F264 N265	T259-A261 PolarHBondContact O-N 3.12Å; A261-D263 PolarHBondContact O-N 3.28Å; A261-F264 HydrophobicContact CB-CD2 4.13Å; A261-F264 PolarHBondContact O-N 3.28Å; A261-N265 PolarHBondContact O-N 3.18Å
262	K	61.9	Low	60.8	Low	158 Å²	158	110.5 Å²	110.5	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-48.1	-35.1	-176.6	-95.3	-177.7	175.1	178.7	0	112.9	I260 F264 N265 E266	I260-K262 PolarHBondContact O-N 3.33Å; K262-F264 VanDerWaalsContact C-N 3.26Å; K262-F264 PolarHBondContact O-N 3.26Å; K262-N265 PolarHBondContact O-N 3.02Å; K262-E266 WeakPolarHBondContact O-CB 3.28Å; K262-E266 VanDerWaalsContact O-CG 3.32Å; K262-E266 WeakPolarHBondContact O-CG 3.47Å; K262-E266 PolarHBondContact O-N 3.14Å
263	D	54.6	Low	59.5	Low	128 Å²	128	110.5 Å²	110.5	68%	0.684	57%	0.568	S	S	*	*	H	α-helix	trans	-59.4	-35.7	-179.1	-54.6	-17	0	0	0	112.6	A261	A261-D263 PolarHBondContact O-N 3.28Å
264	F	54.3	Low	58.2	Low	167 Å²	167	113.9 Å²	113.9	73%	0.732	59%	0.585	S	S	*	*	H	α-helix	trans	-80.1	-41.6	175.9	-67.5	-74.1	0	0	0	112.4	I260 A261 K262 E266 M267	I260-F264 HydrophobicContact CG2-CB 3.72Å; A261-F264 HydrophobicContact CB-CD2 4.13Å; A261-F264 PolarHBondContact O-N 3.28Å; K262-F264 VanDerWaalsContact C-N 3.26Å; K262-F264 PolarHBondContact O-N 3.26Å; F264-E266 VanDerWaalsContact C-N 3.28Å; F264-E266 PolarHBondContact O-N 3.46Å; F264-M267 PolarHBondContact O-N 3.16Å; F264-M267 VanDerWaalsContact O-N 3.13Å
265	N	51.2	Low	56.7	Low	78 Å²	78	116.6 Å²	116.6	42%	0.417	60%	0.597	S	S	.	*	H	α-helix	trans	-63.2	-36.5	178.1	-92.2	-13.6	0	0	0	112.2	I257 I260 A261 K262 M267	I257-N265 PolarHBondContact O-ND2 2.9Å; I260-N265 WeakPolarHBondContact CG2-OD1 3.31Å; A261-N265 PolarHBondContact O-N 3.18Å; K262-N265 PolarHBondContact O-N 3.02Å; N265-M267 PolarHBondContact O-N 3.38Å
266	E	51.3	Low	54.9	Low	91 Å²	91	118.3 Å²	118.3	43%	0.425	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.3	-8.5	-179.8	-67.5	-171.7	142	0	0	112.2	K262 F264 K268	K262-E266 WeakPolarHBondContact O-CB 3.28Å; K262-E266 VanDerWaalsContact O-CG 3.32Å; K262-E266 WeakPolarHBondContact O-CG 3.47Å; K262-E266 PolarHBondContact O-N 3.14Å; F264-E266 VanDerWaalsContact C-N 3.28Å; F264-E266 PolarHBondContact O-N 3.46Å; E266-K268 HydrophobicContact CB-CB 4.19Å; E266-K268 HydrophobicContact CB-CD 3.71Å; E266-K268 HydrophobicContact CB-CG 3.74Å; E266-K268 VanDerWaalsContact CD-CE 3.46Å; E266-K268 HydrophobicContact CG-CD 4.4Å; E266-K268 WeakPolarHBondContact O-CG 3.33Å; E266-K268 PolarHBondContact O-N 3.28Å; E266-K268 IonicContact OE1-NZ 3.18Å; E266-K268 PolarHBondContact OE1-NZ 2.97Å; E266-K268 VanDerWaalsContact OE2-CD 3.25Å; E266-K268 WeakPolarHBondContact OE2-CD 3.21Å; E266-K268 WeakPolarHBondContact OE2-CE 3.13Å; E266-K268 IonicContact OE2-NZ 2.73Å; E266-K268 PolarHBondContact OE2-NZ 3.42Å
267	M	46.9	Very low	53.4	Low	150 Å²	150	122.2 Å²	122.2	74%	0.739	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.6	31.4	-178.8	-137	170.2	-167	0	0	111.1	F264 N265 F269	F264-M267 PolarHBondContact O-N 3.16Å; F264-M267 VanDerWaalsContact O-N 3.13Å; N265-M267 PolarHBondContact O-N 3.38Å; M267-F269 HydrophobicContact CG-CD2 4.37Å; M267-F269 HydrophobicContact CG-CE2 4.18Å; M267-F269 PolarHBondContact O-N 3.39Å
268	K	46.9	Very low	51.8	Low	123 Å²	123	121.9 Å²	121.9	54%	0.535	63%	0.634	S	S	.	*			trans	-82.2	69.8	-171.1	-87	176.1	-167.1	170.5	0	107.6	E266 T270	E266-K268 HydrophobicContact CB-CB 4.19Å; E266-K268 HydrophobicContact CB-CD 3.71Å; E266-K268 HydrophobicContact CB-CG 3.74Å; E266-K268 VanDerWaalsContact CD-CE 3.46Å; E266-K268 HydrophobicContact CG-CD 4.4Å; E266-K268 WeakPolarHBondContact O-CG 3.33Å; E266-K268 PolarHBondContact O-N 3.28Å; E266-K268 IonicContact OE1-NZ 3.18Å; E266-K268 PolarHBondContact OE1-NZ 2.97Å; E266-K268 VanDerWaalsContact OE2-CD 3.25Å; E266-K268 WeakPolarHBondContact OE2-CD 3.21Å; E266-K268 WeakPolarHBondContact OE2-CE 3.13Å; E266-K268 IonicContact OE2-NZ 2.73Å; E266-K268 PolarHBondContact OE2-NZ 3.42Å; K268-T270 PolarHBondContact O-N 2.94Å
269	F	44.8	Very low	50.4	Low	116 Å²	116	120.8 Å²	120.8	51%	0.509	62%	0.623	S	S	.	*			trans	-70	32.7	157.8	-65.9	-75.9	0	0	0	111.3	M267 F279 I281	M267-F269 HydrophobicContact CG-CD2 4.37Å; M267-F269 HydrophobicContact CG-CE2 4.18Å; M267-F269 PolarHBondContact O-N 3.39Å; F269-F279 HydrophobicContact CB-CB 4.4Å; F269-F279 WeakPolarHBondContact O-CD2 3.32Å; F269-I281 HydrophobicContact CE1-CD1 4.16Å; F269-I281 HydrophobicContact CE1-CG1 4.27Å; F269-I281 HydrophobicContact CZ-CD1 4.35Å
270	T	45	Very low	49	Very low	94 Å²	94	121.2 Å²	121.2	58%	0.577	62%	0.621	S	S	*	*			trans	-139.5	71.7	-177.3	63.1	0	0	0	0	107.5	K268 D272	K268-T270 PolarHBondContact O-N 2.94Å; T270-D272 PolarHBondContact O-N 3.49Å
271	S	45.7	Very low	48	Very low	70 Å²	70	123.6 Å²	123.6	49%	0.49	63%	0.633	S	S	.	*			trans	-63	131.1	152.4	44.5	0	0	0	0	106.8	T273 F279	S271-T273 PolarHBondContact O-N 3.43Å; S271-F279 WeakPolarHBondContact OG-CZ 2.95Å
272	D	45.8	Very low	47.4	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	65%	0.646	S	S	*	*	S	Bend	trans	-65.5	32.8	-172.4	-63	-50.7	0	0	0	114.6	T270	T270-D272 PolarHBondContact O-N 3.49Å
273	T	47.9	Very low	46.9	Very low	87 Å²	87	124.3 Å²	124.3	53%	0.534	65%	0.647	S	S	.	*			trans	-82.8	115.6	166.3	54.8	0	0	0	0	107.7	S271 N275	S271-T273 PolarHBondContact O-N 3.43Å; T273-N275 PolarHBondContact O-N 3.03Å
274	E	48.1	Very low	46.7	Very low	192 Å²	192	122.1 Å²	122.1	90%	0.897	64%	0.64	S	S	*	*	S	Bend	trans	-56.1	17.1	-173.3	-59.3	177.6	146.1	0	0	116.6	L276	E274-L276 PolarHBondContact O-N 2.79Å
275	N	46.3	Very low	47.1	Very low	132 Å²	132	122.5 Å²	122.5	71%	0.706	65%	0.65	S	S	*	*			trans	-94.3	94.1	174.5	-69.5	-36.8	0	0	0	109.4	T273 K277	T273-N275 PolarHBondContact O-N 3.03Å; N275-K277 PolarHBondContact O-N 3.29Å
276	L	38	Very low	47.2	Very low	181 Å²	181	127.3 Å²	127.3	95%	0.948	67%	0.67	S	S	*	*			trans	-59.9	36.4	178.2	-135.8	126.7	0	0	0	115.2	E274	E274-L276 PolarHBondContact O-N 2.79Å
277	K	43.1	Very low	47.6	Very low	175 Å²	175	128 Å²	128	76%	0.761	68%	0.675	S	S	*	*	S	Bend	trans	-96.6	119.4	164.8	-70.3	-176.2	178.5	-177.7	0	105.7	N275 F279	N275-K277 PolarHBondContact O-N 3.29Å; K277-F279 PolarHBondContact O-N 3.39Å; K277-F279 VanDerWaalsContact O-N 3.08Å
278	S	42	Very low	48.3	Very low	83 Å²	83	126.2 Å²	126.2	58%	0.58	67%	0.669	S	S	*	*			trans	-27.4	120.2	154.6	37.8	0	0	0	0	108.3	D280	S278-D280 PolarHBondContact O-N 3.07Å; S278-D280 PolarHBondContact OG-OD2 3.18Å
279	F	43.4	Very low	49.1	Very low	105 Å²	105	124.8 Å²	124.8	46%	0.461	67%	0.665	S	S	.	*			trans	-66.7	70.7	165.1	-79.3	-94.6	0	0	0	106.2	F269 S271 K277 I281	F269-F279 HydrophobicContact CB-CB 4.4Å; F269-F279 WeakPolarHBondContact O-CD2 3.32Å; S271-F279 WeakPolarHBondContact OG-CZ 2.95Å; K277-F279 PolarHBondContact O-N 3.39Å; K277-F279 VanDerWaalsContact O-N 3.08Å; F279-I281 VanDerWaalsContact C-N 3.31Å; F279-I281 PolarHBondContact O-N 3.44Å
280	D	43.8	Very low	50.3	Low	125 Å²	125	125.3 Å²	125.3	67%	0.668	67%	0.667	S	S	*	*			trans	-56.3	106.5	160.4	-66	-43.3	0	0	0	103.1	S278 P282	S278-D280 PolarHBondContact O-N 3.07Å; S278-D280 PolarHBondContact OG-OD2 3.18Å; D280-P282 WeakPolarHBondContact O-CD 3.25Å
281	I	46.5	Very low	51.4	Low	125 Å²	125	124.1 Å²	124.1	64%	0.641	66%	0.661	S	S	*	*			trans	-48.6	112.2	174	-63.5	164.7	0	0	0	104.6	F269 F279 V283	F269-I281 HydrophobicContact CE1-CD1 4.16Å; F269-I281 HydrophobicContact CE1-CG1 4.27Å; F269-I281 HydrophobicContact CZ-CD1 4.35Å; F279-I281 VanDerWaalsContact C-N 3.31Å; F279-I281 PolarHBondContact O-N 3.44Å; I281-V283 PolarHBondContact O-N 3.01Å
282	P	47.6	Very low	52.3	Low	110 Å²	110	125.7 Å²	125.7	71%	0.714	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-59.2	119.5	-174.7	21.1	-30.1	0	0	0	106.2	D280 P284	D280-P282 WeakPolarHBondContact O-CD 3.25Å; P282-P284 WeakPolarHBondContact O-CD 3.48Å; P282-P284 VanDerWaalsContact O-N 3.13Å
283	V	51.9	Low	53.1	Low	118 Å²	118	123.9 Å²	123.9	72%	0.715	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.9	171.3	174.5	0	0	0	0	105.3	I281 D285	I281-V283 PolarHBondContact O-N 3.01Å; V283-D285 PolarHBondContact O-N 3.31Å; V283-D285 VanDerWaalsContact O-N 3.08Å
284	P	50.5	Low	53.9	Low	83 Å²	83	124.1 Å²	124.1	54%	0.539	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-55.3	121.3	177.8	-21.4	30.6	0	0	0	108.3	P282 E286 I287	P282-P284 WeakPolarHBondContact O-CD 3.48Å; P282-P284 VanDerWaalsContact O-N 3.13Å; P284-E286 PolarHBondContact O-N 2.85Å; P284-E286 VanDerWaalsContact O-N 3.15Å; P284-I287 HydrophobicContact CB-CG1 4.41Å
285	D	61.5	Low	54.7	Low	175 Å²	175	118.5 Å²	118.5	94%	0.936	62%	0.619	S	S	*	*	S	Bend	trans	-56.3	-31.8	179.1	-71.2	-36.8	0	0	0	110.8	V283	V283-D285 PolarHBondContact O-N 3.31Å; V283-D285 VanDerWaalsContact O-N 3.08Å
286	E	53.2	Low	55.2	Low	179 Å²	179	113.5 Å²	113.5	84%	0.836	60%	0.596	S	S	*	*	S	Bend	trans	-128.3	115.1	168.5	-86.2	176.8	149.1	0	0	109.8	P284 D288	P284-E286 PolarHBondContact O-N 2.85Å; P284-E286 VanDerWaalsContact O-N 3.15Å; E286-D288 PolarHBondContact O-N 2.79Å
287	I	61.5	Low	56.1	Low	106 Å²	106	107.3 Å²	107.3	54%	0.544	57%	0.567	S	S	.	*			trans	-76.1	110	163.8	-62	169.9	0	0	0	105.8	P284 M289	P284-I287 HydrophobicContact CB-CG1 4.41Å; I287-M289 VanDerWaalsContact C-N 3.3Å; I287-M289 HydrophobicContact CG2-CG 4.28Å; I287-M289 HydrophobicContact CG2-SD 3.98Å; I287-M289 PolarHBondContact O-N 3.44Å
288	D	60.3	Low	56.8	Low	111 Å²	111	105.8 Å²	105.8	59%	0.594	56%	0.563	S	S	*	*			trans	-65.4	95.7	170.3	-171.7	6.3	0	0	0	108.2	E286 K290 P291	E286-D288 PolarHBondContact O-N 2.79Å; D288-K290 PolarHBondContact O-N 3.48Å; D288-K290 WeakPolarHBondContact OD1-CB 3.37Å; D288-K290 PolarHBondContact OD1-N 2.98Å; D288-K290 VanDerWaalsContact OD1-N 3.09Å; D288-P291 WeakPolarHBondContact O-CD 3.34Å
289	M	65.1	Low	57.5	Low	94 Å²	94	108.1 Å²	108.1	46%	0.463	57%	0.568	S	S	.	*			trans	-73.5	-6.1	178.2	-73	-69	-147.1	0	0	111.8	I287 P291 I292 Y293	I287-M289 VanDerWaalsContact C-N 3.3Å; I287-M289 HydrophobicContact CG2-CG 4.28Å; I287-M289 HydrophobicContact CG2-SD 3.98Å; I287-M289 PolarHBondContact O-N 3.44Å; M289-P291 VanDerWaalsContact C-CD 3.47Å; M289-I292 PolarHBondContact O-N 3.27Å; M289-I292 HydrophobicContact SD-CD1 4.01Å; M289-Y293 VanDerWaalsContact O-CB 3.31Å; M289-Y293 WeakPolarHBondContact O-CB 3.34Å; M289-Y293 PolarHBondContact O-N 2.95Å
290	K	69	Low	58.1	Low	127 Å²	127	109.2 Å²	109.2	55%	0.552	57%	0.573	S	S	*	*	H	α-helix	trans	-57.8	-42.4	-175.9	-165.1	-179.9	-177.3	-170.5	0	113.8	D288 Y293 E294	D288-K290 PolarHBondContact O-N 3.48Å; D288-K290 WeakPolarHBondContact OD1-CB 3.37Å; D288-K290 PolarHBondContact OD1-N 2.98Å; D288-K290 VanDerWaalsContact OD1-N 3.09Å; K290-Y293 PolarHBondContact O-N 2.89Å; K290-E294 VanDerWaalsContact CE-OE1 3.26Å; K290-E294 WeakPolarHBondContact CE-OE1 3.38Å; K290-E294 HydrophobicContact CG-CG 4.44Å; K290-E294 WeakPolarHBondContact O-CB 3.27Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.46Å; K290-E294 PolarHBondContact O-N 2.94Å
291	P	68.7	Low	58.5	Low	69 Å²	69	109.3 Å²	109.3	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-45.5	176.1	-17.4	31.1	0	0	0	111.4	D288 M289 Y293 E294 T295	D288-P291 WeakPolarHBondContact O-CD 3.34Å; M289-P291 VanDerWaalsContact C-CD 3.47Å; P291-Y293 VanDerWaalsContact C-N 3.33Å; P291-Y293 PolarHBondContact O-N 3.11Å; P291-E294 PolarHBondContact O-N 2.98Å; P291-T295 PolarHBondContact O-N 2.86Å; P291-T295 PolarHBondContact O-OG1 2.92Å
292	I	64	Low	58.4	Low	102 Å²	102	109.9 Å²	109.9	52%	0.523	58%	0.577	S	S	.	*	H	α-helix	trans	-64.2	-41.7	179.9	-60.2	172.2	0	0	0	110.2	M289 T295 A296	M289-I292 PolarHBondContact O-N 3.27Å; M289-I292 HydrophobicContact SD-CD1 4.01Å; I292-T295 PolarHBondContact O-N 3.33Å; I292-A296 VanDerWaalsContact O-CB 3.27Å; I292-A296 WeakPolarHBondContact O-CB 3.38Å; I292-A296 PolarHBondContact O-N 2.89Å
293	Y	62.8	Low	58.4	Low	122 Å²	122	112.3 Å²	112.3	48%	0.478	58%	0.584	S	S	.	*	H	α-helix	trans	-64.1	-45.2	175.4	180	-94.7	0	0	0	111.7	M289 K290 P291 T295 A296 C297 L308	M289-Y293 VanDerWaalsContact O-CB 3.31Å; M289-Y293 WeakPolarHBondContact O-CB 3.34Å; M289-Y293 PolarHBondContact O-N 2.95Å; K290-Y293 PolarHBondContact O-N 2.89Å; P291-Y293 VanDerWaalsContact C-N 3.33Å; P291-Y293 PolarHBondContact O-N 3.11Å; Y293-T295 VanDerWaalsContact C-N 3.34Å; Y293-T295 PolarHBondContact O-N 2.68Å; Y293-A296 PolarHBondContact O-N 3.24Å; Y293-C297 WeakPolarHBondContact CE1-SG 3.39Å; Y293-C297 WeakPolarHBondContact O-CB 3.25Å; Y293-C297 PolarHBondContact O-N 2.83Å; Y293-C297 PolarHBondContact O-SG 2.67Å; Y293-L308 HydrophobicContact CD2-CD2 4.14Å; Y293-L308 HydrophobicContact CE2-CD1 3.87Å; Y293-L308 HydrophobicContact CE2-CD2 3.7Å; Y293-L308 HydrophobicContact CE2-CG 4.47Å
294	E	63.9	Low	58.1	Low	93 Å²	93	108.4 Å²	108.4	44%	0.435	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-41.7	175.8	-77.2	175.4	-177.5	0	0	111.1	K290 P291 C297 Q298	K290-E294 VanDerWaalsContact CE-OE1 3.26Å; K290-E294 WeakPolarHBondContact CE-OE1 3.38Å; K290-E294 HydrophobicContact CG-CG 4.44Å; K290-E294 WeakPolarHBondContact O-CB 3.27Å; K290-E294 VanDerWaalsContact O-CG 3.3Å; K290-E294 WeakPolarHBondContact O-CG 3.46Å; K290-E294 PolarHBondContact O-N 2.94Å; P291-E294 PolarHBondContact O-N 2.98Å; E294-C297 PolarHBondContact O-N 2.97Å; E294-Q298 WeakPolarHBondContact O-CB 3.43Å; E294-Q298 VanDerWaalsContact O-CG 3.24Å; E294-Q298 WeakPolarHBondContact O-CG 3.49Å; E294-Q298 PolarHBondContact O-N 3.39Å
295	T	64.6	Low	58	Low	74 Å²	74	113.4 Å²	113.4	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-41.3	175.8	-26.8	0	0	0	0	111.1	P291 I292 Y293 Q298 L299	P291-T295 PolarHBondContact O-N 2.86Å; P291-T295 PolarHBondContact O-OG1 2.92Å; I292-T295 PolarHBondContact O-N 3.33Å; Y293-T295 VanDerWaalsContact C-N 3.34Å; Y293-T295 PolarHBondContact O-N 2.68Å; T295-Q298 PolarHBondContact O-N 3.13Å; T295-L299 WeakPolarHBondContact O-CB 3.25Å; T295-L299 VanDerWaalsContact O-CG 3.29Å; T295-L299 WeakPolarHBondContact O-CG 3.47Å; T295-L299 PolarHBondContact O-N 3.08Å
296	A	57.2	Low	57.4	Low	27 Å²	27	108.7 Å²	108.7	22%	0.223	56%	0.556	C	S	.	*	H	α-helix	trans	-66.1	-42.8	176.3	0	0	0	0	0	111.5	I292 Y293 Q298 L299 F300	I292-A296 VanDerWaalsContact O-CB 3.27Å; I292-A296 WeakPolarHBondContact O-CB 3.38Å; I292-A296 PolarHBondContact O-N 2.89Å; Y293-A296 PolarHBondContact O-N 3.24Å; A296-Q298 VanDerWaalsContact C-N 3.31Å; A296-Q298 PolarHBondContact O-N 3.41Å; A296-L299 PolarHBondContact O-N 3.43Å; A296-F300 HydrophobicContact CB-CD2 4.46Å; A296-F300 WeakPolarHBondContact O-CB 3.26Å; A296-F300 WeakPolarHBondContact O-CD2 3.4Å; A296-F300 PolarHBondContact O-N 2.87Å
297	C	56.5	Low	57	Low	51 Å²	51	103.3 Å²	103.3	35%	0.345	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-35	174.8	-74.4	0	0	0	0	112.4	Y293 E294 F300	Y293-C297 WeakPolarHBondContact CE1-SG 3.39Å; Y293-C297 WeakPolarHBondContact O-CB 3.25Å; Y293-C297 PolarHBondContact O-N 2.83Å; Y293-C297 PolarHBondContact O-SG 2.67Å; E294-C297 PolarHBondContact O-N 2.97Å; C297-F300 CarbonylContact O-C 3.41Å
298	Q	59.6	Low	56.1	Low	143 Å²	143	101.4 Å²	101.4	67%	0.668	53%	0.526	S	S	*	.	H	α-helix	trans	-69.4	-35.8	172.6	-75.4	175.3	15.5	0	0	112.5	E294 T295 A296	E294-Q298 WeakPolarHBondContact O-CB 3.43Å; E294-Q298 VanDerWaalsContact O-CG 3.24Å; E294-Q298 WeakPolarHBondContact O-CG 3.49Å; E294-Q298 PolarHBondContact O-N 3.39Å; T295-Q298 PolarHBondContact O-N 3.13Å; A296-Q298 VanDerWaalsContact C-N 3.31Å; A296-Q298 PolarHBondContact O-N 3.41Å
299	L	56.6	Low	55.4	Low	132 Å²	132	100 Å²	100	69%	0.691	52%	0.522	S	S	*	.	H	α-helix	trans	-75.7	-31.2	177.6	-74.6	174	0	0	0	112.8	T295 A296	T295-L299 WeakPolarHBondContact O-CB 3.25Å; T295-L299 VanDerWaalsContact O-CG 3.29Å; T295-L299 WeakPolarHBondContact O-CG 3.47Å; T295-L299 PolarHBondContact O-N 3.08Å; A296-L299 PolarHBondContact O-N 3.43Å
300	F	55.6	Low	54.4	Low	128 Å²	128	100.4 Å²	100.4	56%	0.561	53%	0.526	S	S	*	.	S	Bend	trans	-109.7	72.6	178.8	-58.8	-67.1	0	0	0	109.2	A296 C297 N302	A296-F300 HydrophobicContact CB-CD2 4.46Å; A296-F300 WeakPolarHBondContact O-CB 3.26Å; A296-F300 WeakPolarHBondContact O-CD2 3.4Å; A296-F300 PolarHBondContact O-N 2.87Å; C297-F300 CarbonylContact O-C 3.41Å; F300-N302 PolarHBondContact O-N 2.93Å; F300-N302 VanDerWaalsContact O-N 3.14Å
301	D	51.1	Low	53	Low	127 Å²	127	97.8 Å²	97.8	68%	0.679	52%	0.518	S	S	*	.			trans	-45.9	118.7	165.9	-80	-45.8	0	0	0	110.1
302	N	44.6	Very low	51.9	Low	136 Å²	136	98 Å²	98	73%	0.727	52%	0.521	S	S	*	.	S	Bend	trans	46.5	88.7	150.2	-53.4	-39.6	0	0	0	116.6	F300	F300-N302 PolarHBondContact O-N 2.93Å; F300-N302 VanDerWaalsContact O-N 3.14Å
303	D	47.7	Very low	50.9	Low	161 Å²	161	100.1 Å²	100.1	86%	0.861	53%	0.528	S	S	*	.			trans	153	-1.6	138.7	-78	-21.5	0	0	0	114.2	K305	D303-K305 PolarHBondContact O-N 2.85Å; D303-K305 VanDerWaalsContact O-N 3.12Å
304	S	45.9	Very low	50.1	Low	37 Å²	37	95.6 Å²	95.6	26%	0.259	52%	0.515	S	S	.	.			trans	-93.8	52.8	-169.9	64.7	0	0	0	0	114.8	S306 V307 L308	S304-S306 PolarHBondContact O-N 2.82Å; S304-S306 VanDerWaalsContact O-N 3.12Å; S304-V307 PolarHBondContact O-N 2.84Å; S304-L308 PolarHBondContact O-N 3.26Å
305	K	47.6	Very low	49	Very low	187 Å²	187	96.4 Å²	96.4	81%	0.813	52%	0.517	S	S	*	.	H	α-helix	trans	-56.1	-24.8	165.5	-81.6	-178.1	179.1	174.6	0	112.2	D303 T309	D303-K305 PolarHBondContact O-N 2.85Å; D303-K305 VanDerWaalsContact O-N 3.12Å; K305-T309 PolarHBondContact O-OG1 3.44Å; K305-T309 VanDerWaalsContact O-OG1 3.14Å
306	S	50.4	Low	47.9	Very low	76 Å²	76	99.8 Å²	99.8	53%	0.531	53%	0.531	S	S	.	.	H	α-helix	trans	-67.9	-40.5	170.9	52.6	0	0	0	0	113	S304 L308 T309 D310	S304-S306 PolarHBondContact O-N 2.82Å; S304-S306 VanDerWaalsContact O-N 3.12Å; S306-L308 VanDerWaalsContact C-N 3.34Å; S306-L308 PolarHBondContact O-N 2.86Å; S306-T309 PolarHBondContact O-N 3.38Å; S306-T309 PolarHBondContact O-OG1 3.07Å; S306-D310 PolarHBondContact O-N 2.7Å; S306-D310 VanDerWaalsContact O-N 3.16Å
307	V	45.3	Very low	47.2	Very low	67 Å²	67	105 Å²	105	41%	0.406	55%	0.553	S	S	.	*	H	α-helix	trans	-69.6	-34.2	-177.3	177.9	0	0	0	0	111.1	S304 D310 L311	S304-V307 PolarHBondContact O-N 2.84Å; V307-D310 PolarHBondContact O-N 3.08Å; V307-L311 VanDerWaalsContact O-CB 3.3Å; V307-L311 WeakPolarHBondContact O-CB 3.3Å; V307-L311 PolarHBondContact O-N 3.4Å
308	L	42.6	Very low	46.5	Very low	65 Å²	65	106.5 Å²	106.5	34%	0.34	56%	0.558	S	S	.	*	H	α-helix	trans	-68.7	-36	177.4	-83.8	166.6	0	0	0	113.6	Y293 S304 S306 L311 S312	Y293-L308 HydrophobicContact CD2-CD2 4.14Å; Y293-L308 HydrophobicContact CE2-CD1 3.87Å; Y293-L308 HydrophobicContact CE2-CD2 3.7Å; Y293-L308 HydrophobicContact CE2-CG 4.47Å; S304-L308 PolarHBondContact O-N 3.26Å; S306-L308 VanDerWaalsContact C-N 3.34Å; S306-L308 PolarHBondContact O-N 2.86Å; L308-L311 PolarHBondContact O-N 3.39Å; L308-S312 PolarHBondContact O-N 2.71Å
309	T	44.9	Very low	45.7	Very low	82 Å²	82	108.5 Å²	108.5	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-68	-40.8	174.7	33.6	0	0	0	0	110.7	K305 S306 L311 S312 Q313	K305-T309 PolarHBondContact O-OG1 3.44Å; K305-T309 VanDerWaalsContact O-OG1 3.14Å; S306-T309 PolarHBondContact O-N 3.38Å; S306-T309 PolarHBondContact O-OG1 3.07Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 3.05Å; T309-S312 PolarHBondContact O-N 3.35Å; T309-S312 PolarHBondContact O-OG 2.89Å; T309-Q313 PolarHBondContact O-N 3.38Å
310	D	44.8	Very low	45.2	Very low	103 Å²	103	103 Å²	103	55%	0.551	54%	0.537	S	S	*	.	H	α-helix	trans	-66.3	-31.4	172.1	-71.6	-19.8	0	0	0	112.5	S306 V307 S314	S306-D310 PolarHBondContact O-N 2.7Å; S306-D310 VanDerWaalsContact O-N 3.16Å; V307-D310 PolarHBondContact O-N 3.08Å; D310-S314 WeakPolarHBondContact O-CB 3.26Å; D310-S314 PolarHBondContact O-N 3.4Å; D310-S314 PolarHBondContact O-OG 3.22Å
311	L	39.5	Very low	44.7	Very low	72 Å²	72	101.1 Å²	101.1	38%	0.377	53%	0.528	S	S	.	.	H	α-helix	trans	-68.8	-46.5	178	-154.4	71	0	0	0	111.4	V307 L308 T309 Q313 S314 F315	V307-L311 VanDerWaalsContact O-CB 3.3Å; V307-L311 WeakPolarHBondContact O-CB 3.3Å; V307-L311 PolarHBondContact O-N 3.4Å; L308-L311 PolarHBondContact O-N 3.39Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 3.05Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; L311-Q313 PolarHBondContact O-N 3Å; L311-S314 WeakPolarHBondContact CA-OG 3.45Å; L311-S314 PolarHBondContact O-N 2.97Å; L311-S314 VanDerWaalsContact O-N 3.13Å; L311-S314 PolarHBondContact O-OG 3.02Å; L311-F315 HydrophobicContact CD1-CE2 4.16Å; L311-F315 HydrophobicContact CD2-CD2 4.45Å; L311-F315 HydrophobicContact CD2-CE2 3.8Å; L311-F315 HydrophobicContact CG-CD2 3.86Å; L311-F315 HydrophobicContact CG-CE2 3.6Å; L311-F315 VanDerWaalsContact O-CD2 3.31Å; L311-F315 WeakPolarHBondContact O-CD2 3.48Å; L311-F315 PolarHBondContact O-N 3.33Å
312	S	45.8	Very low	44.4	Very low	74 Å²	74	103.6 Å²	103.6	52%	0.517	53%	0.528	S	S	.	.	H	α-helix	trans	-62.5	-38.1	178.5	66.6	0	0	0	0	112.8	L308 T309	L308-S312 PolarHBondContact O-N 2.71Å; T309-S312 PolarHBondContact O-N 3.35Å; T309-S312 PolarHBondContact O-OG 2.89Å
313	Q	42.7	Very low	44.5	Very low	145 Å²	145	100.8 Å²	100.8	68%	0.678	51%	0.512	S	S	*	.	H	α-helix	trans	-74.7	-30.2	174.3	-69.6	-172.2	0.6	0	0	112.6	T309 L311	T309-Q313 PolarHBondContact O-N 3.38Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; L311-Q313 PolarHBondContact O-N 3Å
314	S	44.5	Very low	44.6	Very low	27 Å²	27	93.8 Å²	93.8	19%	0.189	48%	0.475	C	S	.	.	H	α-helix	trans	-79.7	-28.1	-179.6	55.2	0	0	0	0	114.7	D310 L311 L316 M317	D310-S314 WeakPolarHBondContact O-CB 3.26Å; D310-S314 PolarHBondContact O-N 3.4Å; D310-S314 PolarHBondContact O-OG 3.22Å; L311-S314 WeakPolarHBondContact CA-OG 3.45Å; L311-S314 PolarHBondContact O-N 2.97Å; L311-S314 VanDerWaalsContact O-N 3.13Å; L311-S314 PolarHBondContact O-OG 3.02Å; S314-L316 PolarHBondContact O-N 3.46Å; S314-M317 PolarHBondContact O-N 3.48Å
315	F	40.7	Very low	44.7	Very low	111 Å²	111	97 Å²	97	49%	0.487	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-30.8	175	-95.2	-74.3	0	0	0	112.6	L311	L311-F315 HydrophobicContact CD1-CE2 4.16Å; L311-F315 HydrophobicContact CD2-CD2 4.45Å; L311-F315 HydrophobicContact CD2-CE2 3.8Å; L311-F315 HydrophobicContact CG-CD2 3.86Å; L311-F315 HydrophobicContact CG-CE2 3.6Å; L311-F315 VanDerWaalsContact O-CD2 3.31Å; L311-F315 WeakPolarHBondContact O-CD2 3.48Å; L311-F315 PolarHBondContact O-N 3.33Å
316	L	42.9	Very low	44.7	Very low	144 Å²	144	94.8 Å²	94.8	75%	0.754	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.3	-178.8	-72.7	177	0	0	0	114.5	S314	S314-L316 PolarHBondContact O-N 3.46Å
317	M	41	Very low	44.5	Very low	137 Å²	137	93.9 Å²	93.9	68%	0.675	48%	0.479	S	S	*	.	S	Bend	trans	-124.2	103.8	-173.7	-69	-74.1	138.9	0	0	111.7	S314	S314-M317 PolarHBondContact O-N 3.48Å
318	D	42.6	Very low	44.8	Very low	83 Å²	83	99.5 Å²	99.5	44%	0.444	50%	0.498	S	S	.	.			trans	84.7	108.1	162.3	-151.7	26.5	0	0	0	117.1	S320 K321 K342	D318-S320 VanDerWaalsContact CG-OG 3.26Å; D318-S320 PolarHBondContact O-N 2.97Å; D318-S320 WeakPolarHBondContact OD2-CB 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.85Å; D318-K321 PolarHBondContact O-N 3.04Å; D318-K321 VanDerWaalsContact O-N 3.12Å; D318-K342 IonicContact OD1-NZ 3.23Å; D318-K342 PolarHBondContact OD1-NZ 3.26Å; D318-K342 IonicContact OD2-NZ 3.97Å
319	K	42.2	Very low	45.1	Very low	185 Å²	185	98.6 Å²	98.6	80%	0.804	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-18	175	-67.5	-178.5	177.2	-177.3	0	113.7	K321 W322	K319-K321 PolarHBondContact O-N 3.07Å; K319-W322 PolarHBondContact O-N 2.83Å
320	S	46.3	Very low	45.3	Very low	16 Å²	16	101.3 Å²	101.3	11%	0.112	50%	0.5	C	S	.	.	H	α-helix	trans	-59.7	-25.6	176.3	68.6	0	0	0	0	113.7	D318 W322 I323 R339	D318-S320 VanDerWaalsContact CG-OG 3.26Å; D318-S320 PolarHBondContact O-N 2.97Å; D318-S320 WeakPolarHBondContact OD2-CB 3.41Å; D318-S320 PolarHBondContact OD2-OG 2.85Å; S320-W322 VanDerWaalsContact C-N 3.29Å; S320-W322 PolarHBondContact O-N 2.84Å; S320-I323 PolarHBondContact O-N 3.34Å; S320-R339 PolarHBondContact OG-NH1 3.1Å; S320-R339 VanDerWaalsContact OG-NH1 3.12Å
321	K	46.2	Very low	46	Very low	88 Å²	88	99.5 Å²	99.5	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-66	-28	178.4	-73.5	-177.8	178.4	-178.4	0	113.9	D318 K319 P325	D318-K321 PolarHBondContact O-N 3.04Å; D318-K321 VanDerWaalsContact O-N 3.12Å; K319-K321 PolarHBondContact O-N 3.07Å; K321-P325 WeakPolarHBondContact O-CD 3.44Å
322	W	44.5	Very low	47.1	Very low	180 Å²	180	102.6 Å²	102.6	68%	0.682	51%	0.51	S	S	*	.	H	α-helix	trans	-83.2	-22.5	-177.7	-63.7	38.7	0	0	0	111.7	K319 S320	K319-W322 PolarHBondContact O-N 2.83Å; S320-W322 VanDerWaalsContact C-N 3.29Å; S320-W322 PolarHBondContact O-N 2.84Å
323	I	46.9	Very low	48	Very low	77 Å²	77	106.2 Å²	106.2	40%	0.395	52%	0.519	S	S	.	.	H	α-helix	trans	-79.6	-29.2	-176.1	-53.3	-179.7	0	0	0	110.7	S320 I326 L327	S320-I323 PolarHBondContact O-N 3.34Å; I323-I326 WeakPolarHBondContact O-CB 3.22Å; I323-I326 PolarHBondContact O-N 3.31Å; I323-L327 HydrophobicContact CG2-CD1 3.4Å; I323-L327 VanDerWaalsContact CG2-CD1 3.4Å; I323-L327 HydrophobicContact CG2-CG 3.91Å; I323-L327 WeakPolarHBondContact O-CG 3.11Å; I323-L327 PolarHBondContact O-N 2.89Å
324	L	48.8	Very low	48.6	Very low	14 Å²	14	100.8 Å²	100.8	7%	0.073	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.5	-172.2	-81.3	159.3	0	0	0	115.6	I326 L327 L329 E335 F338	L324-I326 PolarHBondContact O-N 3.26Å; L324-L327 CarbonylContact O-C 3.6Å; L324-L327 VanDerWaalsContact O-C 3.26Å; L324-L327 PolarHBondContact O-N 3.49Å; L324-L329 HydrophobicContact CD2-CD1 3.29Å; L324-L329 HydrophobicContact CD2-CG 4.07Å; L324-E335 HydrophobicContact CD1-CG 3.95Å; L324-E335 WeakPolarHBondContact CD1-OE1 3.17Å; L324-E335 HydrophobicContact CD2-CG 3.94Å; L324-F338 HydrophobicContact CD1-CD1 3.92Å; L324-F338 HydrophobicContact CD1-CE1 4.18Å; L324-F338 HydrophobicContact CD2-CD1 3.7Å; L324-F338 HydrophobicContact CD2-CE1 4.13Å; L324-F338 HydrophobicContact CD2-CG 4.35Å; L324-F338 HydrophobicContact CG-CD1 3.92Å; L324-F338 HydrophobicContact CG-CE1 3.98Å
325	P	48	Very low	49.3	Very low	105 Å²	105	102.9 Å²	102.9	68%	0.682	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.7	172.2	-24.7	35	0	0	0	112.9	K321	K321-P325 WeakPolarHBondContact O-CD 3.44Å
326	I	48.3	Very low	50.4	Low	140 Å²	140	100.5 Å²	100.5	72%	0.718	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-41	178.9	-57.8	172.7	0	0	0	110.2	I323 L324 K328	I323-I326 WeakPolarHBondContact O-CB 3.22Å; I323-I326 PolarHBondContact O-N 3.31Å; L324-I326 PolarHBondContact O-N 3.26Å; I326-K328 PolarHBondContact O-N 3.49Å
327	L	46	Very low	51.3	Low	57 Å²	57	97.5 Å²	97.5	30%	0.298	48%	0.479	S	S	.	.	S	Bend	trans	-89.5	88.1	175	-61.3	176.8	0	0	0	108.4	I323 L324 L329 L344	I323-L327 HydrophobicContact CG2-CD1 3.4Å; I323-L327 VanDerWaalsContact CG2-CD1 3.4Å; I323-L327 HydrophobicContact CG2-CG 3.91Å; I323-L327 WeakPolarHBondContact O-CG 3.11Å; I323-L327 PolarHBondContact O-N 2.89Å; L324-L327 CarbonylContact O-C 3.6Å; L324-L327 VanDerWaalsContact O-C 3.26Å; L324-L327 PolarHBondContact O-N 3.49Å; L327-L329 PolarHBondContact O-N 3.31Å; L327-L344 HydrophobicContact CD1-CD1 3.59Å; L327-L344 HydrophobicContact CD1-CD2 4.49Å
328	K	51.2	Low	52.2	Low	184 Å²	184	92 Å²	92	80%	0.8	45%	0.452	S	S	*	.			trans	-51.7	83.5	170.2	-85.2	177.9	173.5	174.6	0	110.7	I326	I326-K328 PolarHBondContact O-N 3.49Å
329	L	50.4	Low	52.8	Low	46 Å²	46	92.2 Å²	92.2	24%	0.241	45%	0.446	C	S	.	.			trans	-78.4	129	171.6	-67.4	-175.5	0	0	0	106.6	L324 L327 T331 D334 F338 L344	L324-L329 HydrophobicContact CD2-CD1 3.29Å; L324-L329 HydrophobicContact CD2-CG 4.07Å; L327-L329 PolarHBondContact O-N 3.31Å; L329-T331 PolarHBondContact O-N 2.95Å; L329-D334 HydrophobicContact CB-CB 4.38Å; L329-F338 HydrophobicContact CD1-CB 4.06Å; L329-F338 HydrophobicContact CD1-CG 4.43Å; L329-L344 HydrophobicContact CD2-CD1 3.91Å
330	H	48.3	Very low	53.7	Low	140 Å²	140	92.5 Å²	92.5	65%	0.648	44%	0.442	S	S	*	.	S	Bend	trans	-82	-13.7	-165.1	-71.6	-74.9	0	0	0	113.8
331	T	59.3	Low	54.6	Low	65 Å²	65	98.6 Å²	98.6	40%	0.399	47%	0.467	S	S	.	.	S	Bend	trans	-138.9	150	179.3	61	0	0	0	0	113	L329 E333 D334 E335	L329-T331 PolarHBondContact O-N 2.95Å; T331-E333 PolarHBondContact O-N 2.92Å; T331-D334 WeakPolarHBondContact O-CB 3.43Å; T331-D334 PolarHBondContact O-N 3.39Å; T331-D334 VanDerWaalsContact O-N 3.16Å; T331-D334 WeakPolarHBondContact OG1-CB 3.27Å; T331-D334 PolarHBondContact OG1-N 2.93Å; T331-D334 PolarHBondContact OG1-OD2 3.36Å; T331-E335 PolarHBondContact O-N 3.4Å
332	D	63.3	Low	54.8	Low	137 Å²	137	101.1 Å²	101.1	73%	0.733	48%	0.477	S	S	*	.	H	α-helix	trans	-60	-32.6	176.7	-63.4	-26.2	0	0	0	111.7	E335 T336	D332-E335 PolarHBondContact O-N 3.41Å; D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.09Å
333	E	63.7	Low	55.2	Low	149 Å²	149	98 Å²	98	70%	0.696	47%	0.473	S	S	*	.	H	α-helix	trans	-64.3	-42	176.6	-73.8	173.4	159.9	0	0	112.1	T331 E335 T336 M337	T331-E333 PolarHBondContact O-N 2.92Å; E333-E335 VanDerWaalsContact C-N 3.33Å; E333-T336 PolarHBondContact O-N 3.26Å; E333-T336 PolarHBondContact O-OG1 2.83Å; E333-M337 PolarHBondContact O-N 3.47Å
334	D	54.8	Low	55.4	Low	32 Å²	32	98.2 Å²	98.2	17%	0.171	48%	0.475	C	S	.	.	H	α-helix	trans	-62	-41	174.8	-74.8	-30.5	0	0	0	111.4	L329 T331 M337 F338 P345	L329-D334 HydrophobicContact CB-CB 4.38Å; T331-D334 WeakPolarHBondContact O-CB 3.43Å; T331-D334 PolarHBondContact O-N 3.39Å; T331-D334 VanDerWaalsContact O-N 3.16Å; T331-D334 WeakPolarHBondContact OG1-CB 3.27Å; T331-D334 PolarHBondContact OG1-N 2.93Å; T331-D334 PolarHBondContact OG1-OD2 3.36Å; D334-M337 PolarHBondContact O-N 3.34Å; D334-F338 WeakPolarHBondContact O-CB 3.37Å; D334-F338 PolarHBondContact O-N 2.96Å; D334-P345 HydrophobicContact CB-CB 4.36Å; D334-P345 HydrophobicContact CB-CG 3.83Å
335	E	60.8	Low	55.5	Low	70 Å²	70	98.6 Å²	98.6	33%	0.327	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-45.1	173	-169.1	173.7	178.8	0	0	110.6	L324 T331 D332 E333 M337 F338 R339	L324-E335 HydrophobicContact CD1-CG 3.95Å; L324-E335 WeakPolarHBondContact CD1-OE1 3.17Å; L324-E335 HydrophobicContact CD2-CG 3.94Å; T331-E335 PolarHBondContact O-N 3.4Å; D332-E335 PolarHBondContact O-N 3.41Å; E333-E335 VanDerWaalsContact C-N 3.33Å; E335-M337 VanDerWaalsContact C-N 3.3Å; E335-M337 PolarHBondContact O-N 2.88Å; E335-F338 PolarHBondContact O-N 2.83Å; E335-R339 HydrophobicContact CG-CG 4.42Å; E335-R339 WeakPolarHBondContact O-CB 3.31Å; E335-R339 WeakPolarHBondContact O-CG 3.15Å; E335-R339 PolarHBondContact O-N 3.35Å; E335-R339 IonicContact OE1-NE 3.41Å; E335-R339 IonicContact OE1-NH2 3.73Å; E335-R339 PolarHBondContact OE1-NH2 3.32Å
336	T	63.6	Low	55.7	Low	62 Å²	62	99.3 Å²	99.3	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-33.3	176.9	77.5	0	0	0	0	113.2	D332 E333 R340	D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.09Å; E333-T336 PolarHBondContact O-N 3.26Å; E333-T336 PolarHBondContact O-OG1 2.83Å; T336-R340 WeakPolarHBondContact O-CB 3.44Å; T336-R340 PolarHBondContact O-N 3.32Å; T336-R340 VanDerWaalsContact O-N 3.07Å; T336-R340 PolarHBondContact O-NE 3.03Å; T336-R340 PolarHBondContact OG1-NH2 3.49Å
337	M	61.2	Low	56	Low	81 Å²	81	94.9 Å²	94.9	40%	0.399	46%	0.457	S	S	.	.	H	α-helix	trans	-70.9	-44	175.6	-90.6	-152.1	-76.2	0	0	111.4	E333 D334 E335 R339 R340 K341	E333-M337 PolarHBondContact O-N 3.47Å; D334-M337 PolarHBondContact O-N 3.34Å; E335-M337 VanDerWaalsContact C-N 3.3Å; E335-M337 PolarHBondContact O-N 2.88Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 PolarHBondContact O-N 3.36Å; M337-R340 PolarHBondContact O-N 3.31Å; M337-K341 PolarHBondContact O-N 3.4Å
338	F	59.6	Low	56.6	Low	22 Å²	22	97.8 Å²	97.8	10%	0.096	47%	0.467	C	S	.	.	H	α-helix	trans	-59.3	-44.6	174.6	-178.9	-103.3	0	0	0	111	L324 L329 D334 E335 R340 K342 L344	L324-F338 HydrophobicContact CD1-CD1 3.92Å; L324-F338 HydrophobicContact CD1-CE1 4.18Å; L324-F338 HydrophobicContact CD2-CD1 3.7Å; L324-F338 HydrophobicContact CD2-CE1 4.13Å; L324-F338 HydrophobicContact CD2-CG 4.35Å; L324-F338 HydrophobicContact CG-CD1 3.92Å; L324-F338 HydrophobicContact CG-CE1 3.98Å; L329-F338 HydrophobicContact CD1-CB 4.06Å; L329-F338 HydrophobicContact CD1-CG 4.43Å; D334-F338 WeakPolarHBondContact O-CB 3.37Å; D334-F338 PolarHBondContact O-N 2.96Å; E335-F338 PolarHBondContact O-N 2.83Å; F338-R340 VanDerWaalsContact C-N 3.34Å; F338-R340 PolarHBondContact O-N 2.82Å; F338-K342 WeakPolarHBondContact O-CA 3.3Å; F338-K342 PolarHBondContact O-N 2.77Å; F338-L344 HydrophobicContact CD2-CD1 4.07Å; F338-L344 HydrophobicContact CE2-CD1 4.11Å
339	R	56.1	Low	56.5	Low	87 Å²	87	93.7 Å²	93.7	33%	0.328	45%	0.454	S	S	.	.	H	α-helix	trans	-60.6	-40.3	175.9	-66.3	-73.6	-172.9	-167.9	2.5	112.5	S320 E335 M337	S320-R339 PolarHBondContact OG-NH1 3.1Å; S320-R339 VanDerWaalsContact OG-NH1 3.12Å; E335-R339 HydrophobicContact CG-CG 4.42Å; E335-R339 WeakPolarHBondContact O-CB 3.31Å; E335-R339 WeakPolarHBondContact O-CG 3.15Å; E335-R339 PolarHBondContact O-N 3.35Å; E335-R339 IonicContact OE1-NE 3.41Å; E335-R339 IonicContact OE1-NH2 3.73Å; E335-R339 PolarHBondContact OE1-NH2 3.32Å; M337-R339 VanDerWaalsContact C-N 3.32Å; M337-R339 PolarHBondContact O-N 3.36Å
340	R	61.2	Low	57	Low	191 Å²	191	95.1 Å²	95.1	72%	0.721	46%	0.462	S	S	*	.	H	α-helix	trans	-77.7	-45.8	-178.3	-87	-175.2	-76.6	178.4	-6.8	114.1	T336 M337 F338	T336-R340 WeakPolarHBondContact O-CB 3.44Å; T336-R340 PolarHBondContact O-N 3.32Å; T336-R340 VanDerWaalsContact O-N 3.07Å; T336-R340 PolarHBondContact O-NE 3.03Å; T336-R340 PolarHBondContact OG1-NH2 3.49Å; M337-R340 PolarHBondContact O-N 3.31Å; F338-R340 VanDerWaalsContact C-N 3.34Å; F338-R340 PolarHBondContact O-N 2.82Å
341	K	63.8	Low	57.7	Low	144 Å²	144	93.4 Å²	93.4	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-102.2	-12.3	-171	-68.1	-176.2	178.4	175.4	0	113.7	M337 I343	M337-K341 PolarHBondContact O-N 3.4Å; K341-I343 HydrophobicContact CB-CB 4.34Å; K341-I343 HydrophobicContact CB-CD1 4.21Å; K341-I343 HydrophobicContact CB-CG1 4.32Å; K341-I343 PolarHBondContact O-N 3.06Å; K341-I343 VanDerWaalsContact O-N 3.13Å
342	K	51.7	Low	57.8	Low	140 Å²	140	94.8 Å²	94.8	61%	0.609	46%	0.458	S	S	*	.			trans	53.1	23.8	-169.8	-58.1	-161.4	175.4	-159.7	0	113.6	D318 F338	D318-K342 IonicContact OD1-NZ 3.23Å; D318-K342 PolarHBondContact OD1-NZ 3.26Å; D318-K342 IonicContact OD2-NZ 3.97Å; F338-K342 WeakPolarHBondContact O-CA 3.3Å; F338-K342 PolarHBondContact O-N 2.77Å
343	I	52.1	Low	57.7	Low	116 Å²	116	94.5 Å²	94.5	60%	0.595	45%	0.451	S	S	*	.			trans	-109.1	125.5	175.9	-62.7	166.4	0	0	0	105.9	K341 P345	K341-I343 HydrophobicContact CB-CB 4.34Å; K341-I343 HydrophobicContact CB-CD1 4.21Å; K341-I343 HydrophobicContact CB-CG1 4.32Å; K341-I343 PolarHBondContact O-N 3.06Å; K341-I343 VanDerWaalsContact O-N 3.13Å; I343-P345 WeakPolarHBondContact O-CD 3.48Å
344	L	51.6	Low	58.2	Low	81 Å²	81	91.9 Å²	91.9	42%	0.424	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.8	123.3	173	-165.3	64.6	0	0	0	107.8	L327 L329 F338 N346	L327-L344 HydrophobicContact CD1-CD1 3.59Å; L327-L344 HydrophobicContact CD1-CD2 4.49Å; L329-L344 HydrophobicContact CD2-CD1 3.91Å; F338-L344 HydrophobicContact CD2-CD1 4.07Å; F338-L344 HydrophobicContact CE2-CD1 4.11Å; L344-N346 PolarHBondContact O-N 3.31Å
345	P	51	Low	58.9	Low	22 Å²	22	95.6 Å²	95.6	14%	0.143	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-53.9	129.8	171.3	-20.6	32.2	0	0	0	107.5	D334 I343 S347	D334-P345 HydrophobicContact CB-CB 4.36Å; D334-P345 HydrophobicContact CB-CG 3.83Å; I343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-S347 PolarHBondContact O-N 2.89Å
346	N	52.3	Low	59.3	Low	120 Å²	120	96.3 Å²	96.3	64%	0.642	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-48.7	124.9	170.5	-73.3	-7.5	0	0	0	105.9	L344 K348 D350	L344-N346 PolarHBondContact O-N 3.31Å; N346-K348 PolarHBondContact O-N 2.98Å; N346-D350 HydrophobicContact CB-CB 4.42Å
347	S	55	Low	59.7	Low	46 Å²	46	96.7 Å²	96.7	32%	0.322	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-48.9	140.3	-171.3	175.9	0	0	0	0	108.7	P345 L349 D350 E351	P345-S347 PolarHBondContact O-N 2.89Å; S347-L349 CarbonylContact O-C 3.59Å; S347-L349 PolarHBondContact O-N 2.75Å; S347-L349 WeakPolarHBondContact OG-CB 3.47Å; S347-L349 PolarHBondContact OG-N 2.79Å; S347-L349 VanDerWaalsContact OG-N 3.11Å; S347-D350 WeakPolarHBondContact CB-OD2 3.31Å; S347-D350 PolarHBondContact N-OD2 2.97Å; S347-D350 VanDerWaalsContact N-OD2 3.16Å; S347-D350 WeakPolarHBondContact O-CA 3.47Å; S347-D350 WeakPolarHBondContact O-CB 3.4Å; S347-D350 PolarHBondContact O-N 3.33Å; S347-E351 PolarHBondContact O-N 2.82Å
348	K	57.1	Low	60.4	Low	119 Å²	119	96.7 Å²	96.7	52%	0.517	46%	0.464	S	S	.	.	H	α-helix	trans	-52.3	-28.4	168.4	-163.8	74.6	-174	166.1	0	110.2	N346 E351 L352	N346-K348 PolarHBondContact O-N 2.98Å; K348-E351 IonicContact NZ-OE2 2.73Å; K348-E351 PolarHBondContact NZ-OE2 3.37Å; K348-E351 PolarHBondContact O-N 3.08Å; K348-L352 WeakPolarHBondContact O-CB 3.41Å; K348-L352 VanDerWaalsContact O-CG 3.25Å; K348-L352 WeakPolarHBondContact O-CG 3.21Å; K348-L352 PolarHBondContact O-N 3.44Å
349	L	50.8	Low	60.9	Low	98 Å²	98	100 Å²	100	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-43.7	169.4	-140.6	87.9	0	0	0	112.6	S347 L352 F353	S347-L349 CarbonylContact O-C 3.59Å; S347-L349 PolarHBondContact O-N 2.75Å; S347-L349 WeakPolarHBondContact OG-CB 3.47Å; S347-L349 PolarHBondContact OG-N 2.79Å; S347-L349 VanDerWaalsContact OG-N 3.11Å; L349-L352 CarbonylContact O-C 3.26Å; L349-L352 PolarHBondContact O-N 3.38Å; L349-F353 HydrophobicContact CD2-CD2 4.38Å; L349-F353 HydrophobicContact CD2-CE2 4.03Å; L349-F353 HydrophobicContact CG-CD2 4.32Å; L349-F353 HydrophobicContact CG-CE2 4.32Å; L349-F353 WeakPolarHBondContact O-CB 3.48Å; L349-F353 VanDerWaalsContact O-CD2 3.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.47Å; L349-F353 PolarHBondContact O-N 3.12Å
350	D	59.3	Low	61.1	Low	76 Å²	76	100.8 Å²	100.8	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-64.8	-40.4	174.9	-66.1	-32.2	0	0	0	111.5	N346 S347 L352 F353 I354	N346-D350 HydrophobicContact CB-CB 4.42Å; S347-D350 WeakPolarHBondContact CB-OD2 3.31Å; S347-D350 PolarHBondContact N-OD2 2.97Å; S347-D350 VanDerWaalsContact N-OD2 3.16Å; S347-D350 WeakPolarHBondContact O-CA 3.47Å; S347-D350 WeakPolarHBondContact O-CB 3.4Å; S347-D350 PolarHBondContact O-N 3.33Å; D350-L352 VanDerWaalsContact C-N 3.34Å; D350-F353 PolarHBondContact O-N 2.84Å; D350-I354 WeakPolarHBondContact O-CB 3.48Å; D350-I354 WeakPolarHBondContact O-CG1 3.28Å; D350-I354 PolarHBondContact O-N 2.73Å
351	E	63.8	Low	61.2	Low	103 Å²	103	97.2 Å²	97.2	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-42.8	172.2	-77.4	-167.8	161.1	0	0	111.6	S347 K348 F353 I354 H355	S347-E351 PolarHBondContact O-N 2.82Å; K348-E351 IonicContact NZ-OE2 2.73Å; K348-E351 PolarHBondContact NZ-OE2 3.37Å; K348-E351 PolarHBondContact O-N 3.08Å; E351-F353 VanDerWaalsContact C-N 3.35Å; E351-I354 PolarHBondContact O-N 3.13Å; E351-H355 WeakPolarHBondContact O-CB 3.21Å; E351-H355 PolarHBondContact O-N 3.09Å
352	L	61.3	Low	61	Low	94 Å²	94	97.3 Å²	97.3	49%	0.492	48%	0.475	S	S	.	.	H	α-helix	trans	-63.5	-41.7	174.8	-74.8	173.6	0	0	0	110.9	K348 L349 D350 H355 E356	K348-L352 WeakPolarHBondContact O-CB 3.41Å; K348-L352 VanDerWaalsContact O-CG 3.25Å; K348-L352 WeakPolarHBondContact O-CG 3.21Å; K348-L352 PolarHBondContact O-N 3.44Å; L349-L352 CarbonylContact O-C 3.26Å; L349-L352 PolarHBondContact O-N 3.38Å; D350-L352 VanDerWaalsContact C-N 3.34Å; L352-H355 PolarHBondContact O-N 3.15Å; L352-E356 WeakPolarHBondContact O-CB 3.19Å; L352-E356 PolarHBondContact O-N 3.39Å
353	F	61.3	Low	61.2	Low	131 Å²	131	94.8 Å²	94.8	58%	0.575	47%	0.466	S	S	*	.	H	α-helix	trans	-61.5	-47	174.3	-98.6	-77.1	0	0	0	111.2	L349 D350 E351 H355 E356 V357	L349-F353 HydrophobicContact CD2-CD2 4.38Å; L349-F353 HydrophobicContact CD2-CE2 4.03Å; L349-F353 HydrophobicContact CG-CD2 4.32Å; L349-F353 HydrophobicContact CG-CE2 4.32Å; L349-F353 WeakPolarHBondContact O-CB 3.48Å; L349-F353 VanDerWaalsContact O-CD2 3.27Å; L349-F353 WeakPolarHBondContact O-CD2 3.47Å; L349-F353 PolarHBondContact O-N 3.12Å; D350-F353 PolarHBondContact O-N 2.84Å; E351-F353 VanDerWaalsContact C-N 3.35Å; F353-H355 VanDerWaalsContact C-N 3.32Å; F353-H355 PolarHBondContact O-N 3.16Å; F353-E356 PolarHBondContact O-N 2.89Å; F353-V357 VanDerWaalsContact O-CB 3.31Å; F353-V357 WeakPolarHBondContact O-CB 3.39Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 3.12Å
354	I	73.7	Confident	61	Low	94 Å²	94	95.1 Å²	95.1	48%	0.482	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-40.3	177.2	-68.1	164.4	0	0	0	110.2	D350 E351 N358	D350-I354 WeakPolarHBondContact O-CB 3.48Å; D350-I354 WeakPolarHBondContact O-CG1 3.28Å; D350-I354 PolarHBondContact O-N 2.73Å; E351-I354 PolarHBondContact O-N 3.13Å; I354-N358 WeakPolarHBondContact CG2-ND2 3.47Å; I354-N358 WeakPolarHBondContact O-CB 3.44Å; I354-N358 PolarHBondContact O-N 3.16Å; I354-N358 PolarHBondContact O-ND2 3.35Å
355	H	70.7	Confident	61.1	Low	110 Å²	110	96.9 Å²	96.9	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-64.5	-44.9	175.4	175	-90	0	0	0	111.6	E351 L352 F353 N358 K359	E351-H355 WeakPolarHBondContact O-CB 3.21Å; E351-H355 PolarHBondContact O-N 3.09Å; L352-H355 PolarHBondContact O-N 3.15Å; F353-H355 VanDerWaalsContact C-N 3.32Å; F353-H355 PolarHBondContact O-N 3.16Å; H355-N358 CarbonylContact O-C 3.55Å; H355-N358 PolarHBondContact O-N 3.15Å; H355-K359 VanDerWaalsContact O-CB 3.25Å; H355-K359 WeakPolarHBondContact O-CB 3.5Å; H355-K359 PolarHBondContact O-N 2.84Å
356	E	67.3	Low	61.2	Low	85 Å²	85	103.2 Å²	103.2	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-46.3	176.5	-149	73.6	-141.8	0	0	110.1	L352 F353 N358 K359 H360	L352-E356 WeakPolarHBondContact O-CB 3.19Å; L352-E356 PolarHBondContact O-N 3.39Å; F353-E356 PolarHBondContact O-N 2.89Å; E356-N358 VanDerWaalsContact C-N 3.33Å; E356-N358 PolarHBondContact O-N 3.08Å; E356-K359 WeakPolarHBondContact O-CB 3.32Å; E356-K359 PolarHBondContact O-N 2.68Å; E356-K359 IonicContact OE1-NZ 2.8Å; E356-H360 PolarHBondContact O-CD2 2.95Å; E356-H360 PolarHBondContact O-N 3.35Å
357	V	72.6	Confident	60.8	Low	71 Å²	71	105.6 Å²	105.6	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.7	168.9	0	0	0	0	111	F353 H360 K361	F353-V357 VanDerWaalsContact O-CB 3.31Å; F353-V357 WeakPolarHBondContact O-CB 3.39Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 3.12Å; V357-H360 PolarHBondContact O-N 3.35Å; V357-K361 HydrophobicContact CG1-CD 4.46Å; V357-K361 WeakPolarHBondContact O-CG 3.13Å; V357-K361 PolarHBondContact O-N 3.47Å
358	N	75.5	Confident	60.3	Low	80 Å²	80	107.2 Å²	107.2	43%	0.428	52%	0.515	S	S	.	.	H	α-helix	trans	-72.1	-33.5	178.4	-74.7	-22.9	0	0	0	112.6	I354 H355 E356 K361 K362	I354-N358 WeakPolarHBondContact CG2-ND2 3.47Å; I354-N358 WeakPolarHBondContact O-CB 3.44Å; I354-N358 PolarHBondContact O-N 3.16Å; I354-N358 PolarHBondContact O-ND2 3.35Å; H355-N358 CarbonylContact O-C 3.55Å; H355-N358 PolarHBondContact O-N 3.15Å; E356-N358 VanDerWaalsContact C-N 3.33Å; E356-N358 PolarHBondContact O-N 3.08Å; N358-K361 PolarHBondContact O-N 3.04Å; N358-K362 WeakPolarHBondContact O-CB 3.46Å; N358-K362 PolarHBondContact O-N 3.08Å
359	K	70.3	Confident	59.6	Low	93 Å²	93	109.7 Å²	109.7	40%	0.404	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-42.5	172.3	-176.4	-175.8	176	-168.5	0	110.2	H355 E356 K362 Q363	H355-K359 VanDerWaalsContact O-CB 3.25Å; H355-K359 WeakPolarHBondContact O-CB 3.5Å; H355-K359 PolarHBondContact O-N 2.84Å; E356-K359 WeakPolarHBondContact O-CB 3.32Å; E356-K359 PolarHBondContact O-N 2.68Å; E356-K359 IonicContact OE1-NZ 2.8Å; K359-K362 PolarHBondContact O-N 3.32Å; K359-Q363 VanDerWaalsContact O-CB 3.32Å; K359-Q363 WeakPolarHBondContact O-CB 3.31Å; K359-Q363 VanDerWaalsContact O-CG 3.29Å; K359-Q363 WeakPolarHBondContact O-CG 3.49Å; K359-Q363 PolarHBondContact O-N 3.31Å
360	H	61.3	Low	59.3	Low	102 Å²	102	111.2 Å²	111.2	47%	0.472	54%	0.537	S	S	.	.	H	α-helix	trans	-63.3	-42.8	171.7	-77	-62.8	0	0	0	111.9	E356 V357 Q363 Q364	E356-H360 PolarHBondContact O-CD2 2.95Å; E356-H360 PolarHBondContact O-N 3.35Å; V357-H360 PolarHBondContact O-N 3.35Å; H360-Q363 PolarHBondContact O-N 2.84Å; H360-Q364 WeakPolarHBondContact O-CB 3.36Å; H360-Q364 VanDerWaalsContact O-CG 3.25Å; H360-Q364 WeakPolarHBondContact O-CG 3.46Å; H360-Q364 PolarHBondContact O-N 3.39Å
361	K	63.8	Low	58.5	Low	117 Å²	117	115.1 Å²	115.1	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-39.9	174.1	-77.2	-179.7	177.6	178.5	0	113.1	V357 N358 Q364 N365	V357-K361 HydrophobicContact CG1-CD 4.46Å; V357-K361 WeakPolarHBondContact O-CG 3.13Å; V357-K361 PolarHBondContact O-N 3.47Å; N358-K361 PolarHBondContact O-N 3.04Å; K361-Q364 WeakPolarHBondContact O-CB 3.42Å; K361-Q364 PolarHBondContact O-N 2.98Å; K361-N365 WeakPolarHBondContact O-CB 3.49Å; K361-N365 PolarHBondContact O-N 3.24Å
362	K	59.2	Low	57.8	Low	145 Å²	145	114 Å²	114	63%	0.63	56%	0.562	S	S	*	*	H	α-helix	trans	-68.6	-43.6	175.5	-92.7	-172.3	173	-174.8	0	111.9	N358 K359 Q364 N365 E366	N358-K362 WeakPolarHBondContact O-CB 3.46Å; N358-K362 PolarHBondContact O-N 3.08Å; K359-K362 PolarHBondContact O-N 3.32Å; K362-Q364 PolarHBondContact O-N 3.13Å; K362-N365 PolarHBondContact O-N 2.99Å; K362-N365 VanDerWaalsContact O-N 3.15Å; K362-E366 WeakPolarHBondContact O-CB 3.46Å; K362-E366 PolarHBondContact O-N 3.29Å
363	Q	55.3	Low	57.2	Low	88 Å²	88	114.1 Å²	114.1	41%	0.411	57%	0.566	S	S	.	*	H	α-helix	trans	-63	-33.1	173.9	-75.8	-179.2	3.5	0	0	111.8	K359 H360 K367	K359-Q363 VanDerWaalsContact O-CB 3.32Å; K359-Q363 WeakPolarHBondContact O-CB 3.31Å; K359-Q363 VanDerWaalsContact O-CG 3.29Å; K359-Q363 WeakPolarHBondContact O-CG 3.49Å; K359-Q363 PolarHBondContact O-N 3.31Å; H360-Q363 PolarHBondContact O-N 2.84Å; Q363-K367 VanDerWaalsContact O-CB 3.25Å; Q363-K367 WeakPolarHBondContact O-CB 3.02Å; Q363-K367 WeakPolarHBondContact O-CG 3.37Å; Q363-K367 PolarHBondContact O-N 2.86Å; Q363-K367 VanDerWaalsContact O-N 3.16Å
364	Q	49	Very low	56.7	Low	123 Å²	123	113.9 Å²	113.9	58%	0.575	57%	0.571	S	S	*	*	H	α-helix	trans	-65.3	-53.3	168.9	-75.9	177.1	4.2	0	0	110.1	H360 K361 K362 E366 K367 V368	H360-Q364 WeakPolarHBondContact O-CB 3.36Å; H360-Q364 VanDerWaalsContact O-CG 3.25Å; H360-Q364 WeakPolarHBondContact O-CG 3.46Å; H360-Q364 PolarHBondContact O-N 3.39Å; K361-Q364 WeakPolarHBondContact O-CB 3.42Å; K361-Q364 PolarHBondContact O-N 2.98Å; K362-Q364 PolarHBondContact O-N 3.13Å; Q364-E366 PolarHBondContact O-N 2.97Å; Q364-K367 PolarHBondContact O-N 3.35Å; Q364-V368 VanDerWaalsContact O-CB 3.24Å; Q364-V368 WeakPolarHBondContact O-CB 3.32Å; Q364-V368 WeakPolarHBondContact O-CG2 3.41Å; Q364-V368 PolarHBondContact O-N 2.67Å
365	N	52.2	Low	55.9	Low	117 Å²	117	115.3 Å²	115.3	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-38.5	-177.3	-71.4	-5.4	0	0	0	114	K361 K362 V368	K361-N365 WeakPolarHBondContact O-CB 3.49Å; K361-N365 PolarHBondContact O-N 3.24Å; K362-N365 PolarHBondContact O-N 2.99Å; K362-N365 VanDerWaalsContact O-N 3.15Å; N365-V368 PolarHBondContact O-N 2.91Å
366	E	52.8	Low	54.9	Low	156 Å²	156	116.2 Å²	116.2	73%	0.729	58%	0.582	S	S	*	*	H	α-helix	trans	-75.4	-26.1	177.5	-74.3	178.4	-179.1	0	0	112.6	K362 Q364	K362-E366 WeakPolarHBondContact O-CB 3.46Å; K362-E366 PolarHBondContact O-N 3.29Å; Q364-E366 PolarHBondContact O-N 2.97Å
367	K	45.6	Very low	54.9	Low	170 Å²	170	115.6 Å²	115.6	74%	0.739	59%	0.587	S	S	*	*	H	α-helix	trans	-85	-13.4	170.6	-72.7	-177.4	175.5	-179.1	0	113.4	Q363 Q364 E369	Q363-K367 VanDerWaalsContact O-CB 3.25Å; Q363-K367 WeakPolarHBondContact O-CB 3.02Å; Q363-K367 WeakPolarHBondContact O-CG 3.37Å; Q363-K367 PolarHBondContact O-N 2.86Å; Q363-K367 VanDerWaalsContact O-N 3.16Å; Q364-K367 PolarHBondContact O-N 3.35Å; K367-E369 PolarHBondContact O-N 2.72Å
368	V	43.7	Very low	54.8	Low	79 Å²	79	117.1 Å²	117.1	48%	0.479	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-7.4	-177	161.2	0	0	0	0	112.9	Q364 N365 N370 V373	Q364-V368 VanDerWaalsContact O-CB 3.24Å; Q364-V368 WeakPolarHBondContact O-CB 3.32Å; Q364-V368 WeakPolarHBondContact O-CG2 3.41Å; Q364-V368 PolarHBondContact O-N 2.67Å; N365-V368 PolarHBondContact O-N 2.91Å; V368-N370 PolarHBondContact O-N 2.97Å; V368-N370 VanDerWaalsContact O-N 3.15Å; V368-V373 HydrophobicContact CG1-CG2 4.36Å; V368-V373 HydrophobicContact CG2-CG2 4.11Å
369	E	42.6	Very low	54.8	Low	171 Å²	171	119.8 Å²	119.8	80%	0.799	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-13.3	177.1	-112.6	-177	-170.8	0	0	114.8	K367	K367-E369 PolarHBondContact O-N 2.72Å
370	N	44.1	Very low	54.6	Low	131 Å²	131	122.9 Å²	122.9	70%	0.701	61%	0.607	S	S	*	*	S	Bend	trans	-149.7	98.6	173.3	-66.8	-65.5	0	0	0	113.6	V368	V368-N370 PolarHBondContact O-N 2.97Å; V368-N370 VanDerWaalsContact O-N 3.15Å
371	N	41.6	Very low	55.5	Low	157 Å²	157	124.1 Å²	124.1	84%	0.84	61%	0.613	S	S	*	*	S	Bend	trans	67.5	88.7	153.2	-53.5	-27.2	0	0	0	119.6
372	S	49.8	Very low	56.4	Low	81 Å²	81	125.1 Å²	125.1	57%	0.566	62%	0.617	S	S	*	*			trans	177.2	33.7	136.2	81	0	0	0	0	115.4	D374	S372-D374 VanDerWaalsContact C-N 3.32Å; S372-D374 PolarHBondContact O-N 3.48Å
373	V	48.6	Very low	57.5	Low	95 Å²	95	121.8 Å²	121.8	58%	0.576	61%	0.606	S	S	*	*	S	Bend	trans	-68.7	-28.7	-176.3	176.5	0	0	0	0	112.8	V368 N375	V368-V373 HydrophobicContact CG1-CG2 4.36Å; V368-V373 HydrophobicContact CG2-CG2 4.11Å; V373-N375 PolarHBondContact O-N 3.25Å
374	D	51.8	Low	58.6	Low	127 Å²	127	121.9 Å²	121.9	68%	0.679	61%	0.609	S	S	*	*	H	α-helix	trans	-70.4	-29.4	-170.7	-62.4	-29.3	0	0	0	114	S372 F376	S372-D374 VanDerWaalsContact C-N 3.32Å; S372-D374 PolarHBondContact O-N 3.48Å; D374-F376 PolarHBondContact O-N 3.24Å
375	N	56.2	Low	60.2	Low	124 Å²	124	118.9 Å²	118.9	66%	0.663	61%	0.605	S	S	*	*	H	α-helix	trans	-76.8	-27.2	-169.4	-129.3	6.6	0	0	0	114.3	V373	V373-N375 PolarHBondContact O-N 3.25Å
376	F	50.6	Low	61.8	Low	129 Å²	129	119.4 Å²	119.4	57%	0.566	60%	0.603	S	S	*	*	H	α-helix	trans	-79.2	-40	179.9	-74.6	-77.7	0	0	0	111.7	D374 E378 K379 Y380	D374-F376 PolarHBondContact O-N 3.24Å; F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 PolarHBondContact O-N 3.44Å; F376-K379 PolarHBondContact O-N 3.36Å; F376-K379 VanDerWaalsContact O-N 3.14Å; F376-Y380 HydrophobicContact CB-CE2 4.46Å; F376-Y380 WeakPolarHBondContact O-CD2 3.39Å; F376-Y380 PolarHBondContact O-N 3.33Å; F376-Y380 VanDerWaalsContact O-N 3.13Å
377	S	67.2	Low	63.2	Low	71 Å²	71	117 Å²	117	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-62.2	-41.5	-178.4	91.1	0	0	0	0	111.5	K379 Y380 E381	S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.32Å; S377-Y380 PolarHBondContact O-N 2.92Å; S377-E381 WeakPolarHBondContact O-CG 3.4Å; S377-E381 PolarHBondContact O-N 2.85Å
378	E	70.2	Confident	65.3	Low	103 Å²	103	116.3 Å²	116.3	48%	0.481	59%	0.592	S	S	.	*	H	α-helix	trans	-63.7	-34.9	176.4	-71.4	-171.1	-177.9	0	0	112.8	F376 K382	F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 PolarHBondContact O-N 3.44Å; E378-K382 WeakPolarHBondContact O-CB 3.27Å; E378-K382 VanDerWaalsContact O-CG 3.31Å; E378-K382 WeakPolarHBondContact O-CG 3.29Å; E378-K382 PolarHBondContact O-N 2.99Å
379	K	75.6	Confident	67.4	Low	137 Å²	137	115.6 Å²	115.6	60%	0.596	59%	0.59	S	S	*	*	H	α-helix	trans	-68.6	-40.8	178.3	-167.9	177	-179.9	-179.1	0	111.4	F376 S377 K382 I383	F376-K379 PolarHBondContact O-N 3.36Å; F376-K379 VanDerWaalsContact O-N 3.14Å; S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.32Å; K379-K382 PolarHBondContact O-N 3.23Å; K379-I383 HydrophobicContact CG-CD1 4.35Å; K379-I383 WeakPolarHBondContact O-CG1 2.99Å; K379-I383 PolarHBondContact O-N 3.08Å; K379-I383 VanDerWaalsContact O-N 3.16Å
380	Y	66.3	Low	69.2	Low	157 Å²	157	111.6 Å²	111.6	62%	0.616	58%	0.575	S	S	*	*	H	α-helix	trans	-65.6	-43.4	175.6	-76.4	-72.3	0	0	0	111.9	F376 S377 K382 I383 L384	F376-Y380 HydrophobicContact CB-CE2 4.46Å; F376-Y380 WeakPolarHBondContact O-CD2 3.39Å; F376-Y380 PolarHBondContact O-N 3.33Å; F376-Y380 VanDerWaalsContact O-N 3.13Å; S377-Y380 PolarHBondContact O-N 2.92Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.87Å; Y380-I383 PolarHBondContact O-N 3.41Å; Y380-L384 WeakPolarHBondContact O-CG 3.35Å; Y380-L384 PolarHBondContact O-N 2.91Å
381	E	79.2	Confident	71.1	Confident	128 Å²	128	113.9 Å²	113.9	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-62	-38.9	176.7	-73.5	-64.1	152.1	0	0	112.1	S377 L384 A385	S377-E381 WeakPolarHBondContact O-CG 3.4Å; S377-E381 PolarHBondContact O-N 2.85Å; E381-L384 PolarHBondContact O-N 3.5Å; E381-A385 WeakPolarHBondContact O-CB 3.41Å; E381-A385 PolarHBondContact O-N 3.13Å
382	K	82.8	Confident	73.1	Confident	138 Å²	138	113.4 Å²	113.4	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-62.1	-46.8	174.4	-77.4	172.7	-175.5	168.9	0	112.5	E378 K379 Y380 L384 A385 E386	E378-K382 WeakPolarHBondContact O-CB 3.27Å; E378-K382 VanDerWaalsContact O-CG 3.31Å; E378-K382 WeakPolarHBondContact O-CG 3.29Å; E378-K382 PolarHBondContact O-N 2.99Å; K379-K382 PolarHBondContact O-N 3.23Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 2.87Å; K382-L384 VanDerWaalsContact C-N 3.33Å; K382-L384 PolarHBondContact O-N 3.32Å; K382-A385 PolarHBondContact O-N 3.15Å; K382-E386 WeakPolarHBondContact O-CB 3.12Å; K382-E386 PolarHBondContact O-N 3.11Å
383	I	82.8	Confident	74.8	Confident	76 Å²	76	114.3 Å²	114.3	39%	0.39	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-40.4	178.7	-65.7	165.4	0	0	0	110.7	K379 Y380 A385 E386 L387	K379-I383 HydrophobicContact CG-CD1 4.35Å; K379-I383 WeakPolarHBondContact O-CG1 2.99Å; K379-I383 PolarHBondContact O-N 3.08Å; K379-I383 VanDerWaalsContact O-N 3.16Å; Y380-I383 PolarHBondContact O-N 3.41Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 2.91Å; I383-E386 PolarHBondContact O-N 3.2Å; I383-L387 HydrophobicContact CG2-CD1 4.04Å; I383-L387 HydrophobicContact CG2-CG 4.46Å; I383-L387 WeakPolarHBondContact O-CB 3.48Å; I383-L387 WeakPolarHBondContact O-CG 3.03Å; I383-L387 PolarHBondContact O-N 3.38Å
384	L	77.1	Confident	76.5	Confident	89 Å²	89	115.6 Å²	115.6	47%	0.466	57%	0.568	S	S	.	*	H	α-helix	trans	-66.6	-35	176.9	-72.6	175.3	0	0	0	112.6	Y380 E381 K382 K388	Y380-L384 WeakPolarHBondContact O-CG 3.35Å; Y380-L384 PolarHBondContact O-N 2.91Å; E381-L384 PolarHBondContact O-N 3.5Å; K382-L384 VanDerWaalsContact C-N 3.33Å; K382-L384 PolarHBondContact O-N 3.32Å; L384-K388 WeakPolarHBondContact O-CG 3.47Å; L384-K388 PolarHBondContact O-N 2.94Å; L384-K388 VanDerWaalsContact O-N 3.16Å
385	A	84.1	Confident	78.3	Confident	60 Å²	60	111.9 Å²	111.9	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-68.5	-41.9	174.2	0	0	0	0	0	111.7	E381 K382 I383 K388 S389	E381-A385 WeakPolarHBondContact O-CB 3.41Å; E381-A385 PolarHBondContact O-N 3.13Å; K382-A385 PolarHBondContact O-N 3.15Å; I383-A385 VanDerWaalsContact C-N 3.34Å; I383-A385 PolarHBondContact O-N 2.91Å; A385-K388 PolarHBondContact O-N 3.37Å; A385-S389 PolarHBondContact O-N 3.49Å
386	E	84.3	Confident	79.8	Confident	128 Å²	128	109.4 Å²	109.4	60%	0.598	54%	0.539	S	S	*	.	H	α-helix	trans	-63.5	-46.9	177.4	-162.8	167.1	-158.7	0	0	111.2	K382 I383 K388 S389 D390	K382-E386 WeakPolarHBondContact O-CB 3.12Å; K382-E386 PolarHBondContact O-N 3.11Å; I383-E386 PolarHBondContact O-N 3.2Å; E386-K388 VanDerWaalsContact C-N 3.32Å; E386-K388 PolarHBondContact O-N 2.96Å; E386-S389 WeakPolarHBondContact O-CB 3.48Å; E386-S389 PolarHBondContact O-N 3.37Å; E386-S389 VanDerWaalsContact O-N 3.14Å; E386-D390 PolarHBondContact O-N 3.33Å
387	L	83.6	Confident	81.2	Confident	106 Å²	106	106.6 Å²	106.6	56%	0.555	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-35.8	175.6	-75.5	172	0	0	0	113.4	I383 Y391	I383-L387 HydrophobicContact CG2-CD1 4.04Å; I383-L387 HydrophobicContact CG2-CG 4.46Å; I383-L387 WeakPolarHBondContact O-CB 3.48Å; I383-L387 WeakPolarHBondContact O-CG 3.03Å; I383-L387 PolarHBondContact O-N 3.38Å; L387-Y391 WeakPolarHBondContact O-CB 3.26Å; L387-Y391 PolarHBondContact O-N 2.85Å; L387-Y391 VanDerWaalsContact O-N 3.09Å
388	K	89.1	Confident	82.3	Confident	156 Å²	156	108.8 Å²	108.8	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-67.1	-41.2	174.8	-79.8	174.7	-178.1	173.3	0	111.9	L384 A385 E386 Y391 E392	L384-K388 WeakPolarHBondContact O-CG 3.47Å; L384-K388 PolarHBondContact O-N 2.94Å; L384-K388 VanDerWaalsContact O-N 3.16Å; A385-K388 PolarHBondContact O-N 3.37Å; E386-K388 VanDerWaalsContact C-N 3.32Å; E386-K388 PolarHBondContact O-N 2.96Å; K388-Y391 PolarHBondContact O-N 3.44Å; K388-E392 PolarHBondContact O-N 3.46Å
389	S	87.4	Confident	83.2	Confident	63 Å²	63	109.8 Å²	109.8	44%	0.441	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-45.5	175.6	176.4	0	0	0	0	111.4	A385 E386 Y391 E392 L393	A385-S389 PolarHBondContact O-N 3.49Å; E386-S389 WeakPolarHBondContact O-CB 3.48Å; E386-S389 PolarHBondContact O-N 3.37Å; E386-S389 VanDerWaalsContact O-N 3.14Å; S389-Y391 VanDerWaalsContact C-N 3.33Å; S389-Y391 PolarHBondContact O-N 3.46Å; S389-E392 PolarHBondContact O-N 3.21Å; S389-L393 WeakPolarHBondContact O-CG 3.13Å; S389-L393 PolarHBondContact O-N 3.39Å
390	D	81.9	Confident	84	Confident	87 Å²	87	109.3 Å²	109.3	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-38.7	178.7	-75	-11.3	0	0	0	112.2	E386 E392 L393 L394	E386-D390 PolarHBondContact O-N 3.33Å; D390-E392 VanDerWaalsContact C-N 3.32Å; D390-E392 PolarHBondContact O-N 3.08Å; D390-L393 PolarHBondContact O-N 3.18Å; D390-L394 WeakPolarHBondContact O-CB 3.27Å; D390-L394 PolarHBondContact O-N 3.5Å
391	Y	82	Confident	84.8	Confident	179 Å²	179	107.2 Å²	107.2	70%	0.702	54%	0.538	S	S	*	.	H	α-helix	trans	-62.3	-39.2	175.3	-166.4	-90.2	0	0	0	112.2	L387 K388 S389 L394 S395	L387-Y391 WeakPolarHBondContact O-CB 3.26Å; L387-Y391 PolarHBondContact O-N 2.85Å; L387-Y391 VanDerWaalsContact O-N 3.09Å; K388-Y391 PolarHBondContact O-N 3.44Å; S389-Y391 VanDerWaalsContact C-N 3.33Å; S389-Y391 PolarHBondContact O-N 3.46Å; Y391-L394 PolarHBondContact O-N 2.85Å; Y391-S395 WeakPolarHBondContact O-CB 3.49Å; Y391-S395 PolarHBondContact O-N 3.5Å
392	E	85.6	Confident	85	Confident	148 Å²	148	105 Å²	105	69%	0.692	53%	0.531	S	S	*	.	H	α-helix	trans	-68.6	-39.6	177.4	-166.3	169.8	-173.8	0	0	112	K388 S389 D390 L394 S395 N396	K388-E392 PolarHBondContact O-N 3.46Å; S389-E392 PolarHBondContact O-N 3.21Å; D390-E392 VanDerWaalsContact C-N 3.32Å; D390-E392 PolarHBondContact O-N 3.08Å; E392-L394 VanDerWaalsContact C-N 3.34Å; E392-S395 PolarHBondContact O-N 3.49Å; E392-N396 WeakPolarHBondContact O-CB 3.34Å; E392-N396 PolarHBondContact O-N 3.04Å
393	L	84.8	Confident	85.3	Confident	100 Å²	100	103.4 Å²	103.4	52%	0.524	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-41.7	171.6	-70.4	173.8	0	0	0	111.7	S389 D390 N396 C397	S389-L393 WeakPolarHBondContact O-CG 3.13Å; S389-L393 PolarHBondContact O-N 3.39Å; D390-L393 PolarHBondContact O-N 3.18Å; L393-N396 PolarHBondContact O-N 2.79Å; L393-C397 PolarHBondContact O-N 3.4Å; L393-C397 PolarHBondContact O-SG 3.44Å; L393-C397 VanDerWaalsContact O-SG 3.34Å
394	L	84.7	Confident	85.1	Confident	121 Å²	121	105.2 Å²	105.2	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-66	-43.4	179.2	-145.1	115.2	0	0	0	111.5	D390 Y391 E392 N396 C397 E398	D390-L394 WeakPolarHBondContact O-CB 3.27Å; D390-L394 PolarHBondContact O-N 3.5Å; Y391-L394 PolarHBondContact O-N 2.85Å; E392-L394 VanDerWaalsContact C-N 3.34Å; L394-N396 VanDerWaalsContact C-N 3.34Å; L394-N396 PolarHBondContact O-N 3.19Å; L394-C397 WeakPolarHBondContact O-CB 3.39Å; L394-C397 PolarHBondContact O-N 2.91Å; L394-E398 PolarHBondContact O-N 3.29Å
395	S	88.8	Confident	85.3	Confident	49 Å²	49	107.9 Å²	107.9	34%	0.343	55%	0.546	S	S	.	.	H	α-helix	trans	-59.9	-42.9	175.4	-168.9	0	0	0	0	111.8	Y391 E392 E398 E399	Y391-S395 WeakPolarHBondContact O-CB 3.49Å; Y391-S395 PolarHBondContact O-N 3.5Å; E392-S395 PolarHBondContact O-N 3.49Å; S395-E398 PolarHBondContact O-N 3.13Å; S395-E399 WeakPolarHBondContact O-CG 3.32Å; S395-E399 PolarHBondContact O-N 3.48Å
396	N	88.8	Confident	85	Confident	72 Å²	72	111 Å²	111	39%	0.385	55%	0.548	S	S	.	.	H	α-helix	trans	-65.6	-38.8	176.3	-170.7	-6.9	0	0	0	112	E392 L393 L394 E399 K400	E392-N396 WeakPolarHBondContact O-CB 3.34Å; E392-N396 PolarHBondContact O-N 3.04Å; L393-N396 PolarHBondContact O-N 2.79Å; L394-N396 VanDerWaalsContact C-N 3.34Å; L394-N396 PolarHBondContact O-N 3.19Å; N396-E399 PolarHBondContact O-N 3.3Å; N396-K400 WeakPolarHBondContact O-CG 3.5Å; N396-K400 PolarHBondContact O-N 2.88Å; N396-K400 VanDerWaalsContact OD1-CE 3.28Å; N396-K400 WeakPolarHBondContact OD1-CE 3.33Å
397	C	79.6	Confident	84.7	Confident	70 Å²	70	109.1 Å²	109.1	47%	0.473	54%	0.542	S	S	.	.	H	α-helix	trans	-62.5	-42.3	173.1	-74.5	0	0	0	0	111.9	L393 L394 K400 I401	L393-C397 PolarHBondContact O-N 3.4Å; L393-C397 PolarHBondContact O-SG 3.44Å; L393-C397 VanDerWaalsContact O-SG 3.34Å; L394-C397 WeakPolarHBondContact O-CB 3.39Å; L394-C397 PolarHBondContact O-N 2.91Å; C397-K400 PolarHBondContact O-N 3.36Å; C397-I401 VanDerWaalsContact O-CG1 3.3Å; C397-I401 WeakPolarHBondContact O-CG1 3.45Å; C397-I401 PolarHBondContact O-N 3.12Å
398	E	89.8	Confident	84.2	Confident	117 Å²	117	108.6 Å²	108.6	55%	0.547	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-42.8	177	-170.2	173.6	179.2	0	0	111.8	L394 S395 K400 I401 N402	L394-E398 PolarHBondContact O-N 3.29Å; S395-E398 PolarHBondContact O-N 3.13Å; E398-K400 PolarHBondContact O-N 3.32Å; E398-I401 PolarHBondContact O-N 3.11Å; E398-N402 WeakPolarHBondContact O-CB 3.01Å; E398-N402 VanDerWaalsContact O-CG 3.32Å; E398-N402 PolarHBondContact O-N 3.23Å; E398-N402 PolarHBondContact O-ND2 3.21Å; E398-N402 VanDerWaalsContact O-ND2 3.12Å
399	E	90.1	Very high	83.3	Confident	125 Å²	125	104.9 Å²	104.9	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-61.3	-43.5	173.9	-73.8	-179.1	-174.4	0	0	112.6	S395 N396 I401 N402 L403	S395-E399 WeakPolarHBondContact O-CG 3.32Å; S395-E399 PolarHBondContact O-N 3.48Å; N396-E399 PolarHBondContact O-N 3.3Å; E399-I401 VanDerWaalsContact C-N 3.35Å; E399-I401 PolarHBondContact O-N 3.12Å; E399-N402 PolarHBondContact O-N 3.14Å; E399-L403 WeakPolarHBondContact O-CB 3.48Å; E399-L403 PolarHBondContact O-N 3.46Å
400	K	91.6	Very high	82.5	Confident	126 Å²	126	105 Å²	105	55%	0.548	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41	175.8	-74.8	173.3	-177.4	168.7	0	112	N396 C397 E398 N402 L403 L404	N396-K400 WeakPolarHBondContact O-CG 3.5Å; N396-K400 PolarHBondContact O-N 2.88Å; N396-K400 VanDerWaalsContact OD1-CE 3.28Å; N396-K400 WeakPolarHBondContact OD1-CE 3.33Å; C397-K400 PolarHBondContact O-N 3.36Å; E398-K400 PolarHBondContact O-N 3.32Å; K400-N402 VanDerWaalsContact C-N 3.34Å; K400-L403 PolarHBondContact O-N 2.92Å; K400-L404 WeakPolarHBondContact O-CB 3.34Å; K400-L404 PolarHBondContact O-N 3.42Å
401	I	82.8	Confident	81.6	Confident	114 Å²	114	105.8 Å²	105.8	59%	0.585	53%	0.525	S	S	*	.	H	α-helix	trans	-62.5	-44.4	175.1	-70.3	166.7	0	0	0	110.1	C397 E398 E399 L404 K405	C397-I401 VanDerWaalsContact O-CG1 3.3Å; C397-I401 WeakPolarHBondContact O-CG1 3.45Å; C397-I401 PolarHBondContact O-N 3.12Å; E398-I401 PolarHBondContact O-N 3.11Å; E399-I401 VanDerWaalsContact C-N 3.35Å; E399-I401 PolarHBondContact O-N 3.12Å; I401-L404 PolarHBondContact O-N 2.83Å; I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 3.29Å
402	N	84.3	Confident	80.4	Confident	82 Å²	82	99.4 Å²	99.4	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-40.1	178.3	-73.9	-37	0	0	0	112.4	E398 E399 K400 K405 F406	E398-N402 WeakPolarHBondContact O-CB 3.01Å; E398-N402 VanDerWaalsContact O-CG 3.32Å; E398-N402 PolarHBondContact O-N 3.23Å; E398-N402 PolarHBondContact O-ND2 3.21Å; E398-N402 VanDerWaalsContact O-ND2 3.12Å; E399-N402 PolarHBondContact O-N 3.14Å; K400-N402 VanDerWaalsContact C-N 3.34Å; N402-K405 PolarHBondContact O-N 2.77Å; N402-F406 WeakPolarHBondContact O-CB 3.5Å; N402-F406 PolarHBondContact O-N 2.84Å
403	L	87.2	Confident	79.1	Confident	104 Å²	104	97.6 Å²	97.6	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-43.7	173.7	-176.2	67.1	0	0	0	111.5	E399 K400 K405 F406 N407	E399-L403 WeakPolarHBondContact O-CB 3.48Å; E399-L403 PolarHBondContact O-N 3.46Å; K400-L403 PolarHBondContact O-N 2.92Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 PolarHBondContact O-N 3.28Å; L403-F406 PolarHBondContact O-N 2.82Å; L403-N407 WeakPolarHBondContact O-CB 3.34Å; L403-N407 VanDerWaalsContact O-CG 3.26Å; L403-N407 PolarHBondContact O-N 3.48Å; L403-N407 PolarHBondContact O-ND2 3.41Å
404	L	79.8	Confident	77.7	Confident	113 Å²	113	98 Å²	98	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-61	-45	175.7	-157.9	96.3	0	0	0	110.6	K400 I401 F406 N407 L408	K400-L404 WeakPolarHBondContact O-CB 3.34Å; K400-L404 PolarHBondContact O-N 3.42Å; I401-L404 PolarHBondContact O-N 2.83Å; L404-F406 PolarHBondContact O-N 2.8Å; L404-N407 PolarHBondContact O-N 3.4Å; L404-L408 HydrophobicContact CD2-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.18Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.25Å; L404-L408 PolarHBondContact O-N 2.81Å
405	K	81.5	Confident	75.9	Confident	146 Å²	146	93.8 Å²	93.8	64%	0.635	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-41.7	176.8	-171.8	177.9	179.3	-178.3	0	111.8	I401 N402 L403 M409	I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 3.29Å; N402-K405 PolarHBondContact O-N 2.77Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 PolarHBondContact O-N 3.28Å; K405-M409 WeakPolarHBondContact O-CB 3.48Å; K405-M409 PolarHBondContact O-N 3.21Å
406	F	76.9	Confident	74	Confident	126 Å²	126	96 Å²	96	55%	0.553	50%	0.5	S	S	*	.	H	α-helix	trans	-65.1	-44.6	175.4	-178.3	-103.6	0	0	0	112.2	N402 L403 L404 M409 N410	N402-F406 WeakPolarHBondContact O-CB 3.5Å; N402-F406 PolarHBondContact O-N 2.84Å; L403-F406 PolarHBondContact O-N 2.82Å; L404-F406 PolarHBondContact O-N 2.8Å; F406-M409 PolarHBondContact O-N 2.84Å; F406-N410 WeakPolarHBondContact CD1-ND2 3.35Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.46Å; F406-N410 VanDerWaalsContact CZ-ND2 3.31Å; F406-N410 WeakPolarHBondContact CZ-ND2 3.32Å; F406-N410 PolarHBondContact O-N 3.45Å
407	N	79.2	Confident	72.2	Confident	87 Å²	87	96.3 Å²	96.3	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-42.7	177	-72.6	-22.7	0	0	0	111.9	L403 L404 M409 N410 L411	L403-N407 WeakPolarHBondContact O-CB 3.34Å; L403-N407 VanDerWaalsContact O-CG 3.26Å; L403-N407 PolarHBondContact O-N 3.48Å; L403-N407 PolarHBondContact O-ND2 3.41Å; L404-N407 PolarHBondContact O-N 3.4Å; N407-M409 VanDerWaalsContact C-N 3.32Å; N407-M409 PolarHBondContact O-N 3.33Å; N407-N410 PolarHBondContact O-N 3.17Å; N407-L411 WeakPolarHBondContact O-CB 3.38Å; N407-L411 PolarHBondContact O-N 3.28Å
408	L	73	Confident	70.4	Confident	96 Å²	96	95.4 Å²	95.4	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-42.3	173.1	-72.9	174.5	0	0	0	111	L404 N410 L411 V412	L404-L408 HydrophobicContact CD2-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.18Å; L404-L408 VanDerWaalsContact O-CG 3.27Å; L404-L408 WeakPolarHBondContact O-CG 3.25Å; L404-L408 PolarHBondContact O-N 2.81Å; L408-N410 PolarHBondContact O-N 2.59Å; L408-L411 PolarHBondContact O-N 3.09Å; L408-V412 WeakPolarHBondContact O-CB 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 3.46Å; L408-V412 PolarHBondContact O-N 3.32Å
409	M	69.3	Low	68.2	Low	77 Å²	77	92.1 Å²	92.1	38%	0.379	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-39.2	178.2	-171	55.6	-131.3	0	0	112.5	K405 F406 N407 V412 N413	K405-M409 WeakPolarHBondContact O-CB 3.48Å; K405-M409 PolarHBondContact O-N 3.21Å; F406-M409 PolarHBondContact O-N 2.84Å; N407-M409 VanDerWaalsContact C-N 3.32Å; N407-M409 PolarHBondContact O-N 3.33Å; M409-V412 HydrophobicContact CE-CG1 4.11Å; M409-V412 PolarHBondContact O-N 2.96Å; M409-V412 HydrophobicContact SD-CG1 4.44Å; M409-N413 WeakPolarHBondContact CE-ND2 3.26Å; M409-N413 WeakPolarHBondContact CE-OD1 3.15Å; M409-N413 PolarHBondContact O-N 3.22Å; M409-N413 PolarHBondContact O-ND2 3.48Å
410	N	69.9	Low	66.1	Low	66 Å²	66	89.9 Å²	89.9	35%	0.353	48%	0.476	S	S	.	.	H	α-helix	trans	-65.7	-42	173.7	-74.1	-19.4	0	0	0	112.1	F406 N407 L408 V412 N413 T414	F406-N410 WeakPolarHBondContact CD1-ND2 3.35Å; F406-N410 WeakPolarHBondContact CE1-ND2 3.46Å; F406-N410 VanDerWaalsContact CZ-ND2 3.31Å; F406-N410 WeakPolarHBondContact CZ-ND2 3.32Å; F406-N410 PolarHBondContact O-N 3.45Å; N407-N410 PolarHBondContact O-N 3.17Å; L408-N410 PolarHBondContact O-N 2.59Å; N410-V412 VanDerWaalsContact C-N 3.33Å; N410-V412 PolarHBondContact O-N 3.23Å; N410-N413 PolarHBondContact O-N 3.34Å; N410-T414 WeakPolarHBondContact O-CB 3.42Å; N410-T414 PolarHBondContact O-N 3.25Å; N410-T414 PolarHBondContact O-OG1 3.42Å
411	L	62.8	Low	63.9	Low	103 Å²	103	93.2 Å²	93.2	54%	0.539	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-40	175.6	-167.1	73	0	0	0	111.8	N407 L408 T414 S415	N407-L411 WeakPolarHBondContact O-CB 3.38Å; N407-L411 PolarHBondContact O-N 3.28Å; L408-L411 PolarHBondContact O-N 3.09Å; L411-T414 WeakPolarHBondContact CA-OG1 3.33Å; L411-T414 PolarHBondContact O-N 3.38Å; L411-T414 PolarHBondContact O-OG1 2.98Å; L411-S415 WeakPolarHBondContact O-CB 3.48Å; L411-S415 PolarHBondContact O-N 3.45Å
412	V	58.6	Low	62	Low	46 Å²	46	93.4 Å²	93.4	28%	0.279	48%	0.483	S	S	.	.	H	α-helix	trans	-62.8	-39.4	174.9	162.5	0	0	0	0	111.9	L408 M409 N410 C418	L408-V412 WeakPolarHBondContact O-CB 3.24Å; L408-V412 WeakPolarHBondContact O-CG2 3.46Å; L408-V412 PolarHBondContact O-N 3.32Å; M409-V412 HydrophobicContact CE-CG1 4.11Å; M409-V412 PolarHBondContact O-N 2.96Å; M409-V412 HydrophobicContact SD-CG1 4.44Å; N410-V412 VanDerWaalsContact C-N 3.33Å; N410-V412 PolarHBondContact O-N 3.23Å; V412-C418 HydrophobicContact CB-CB 4.48Å; V412-C418 WeakPolarHBondContact CG1-O 3.5Å; V412-C418 HydrophobicContact CG2-CB 4Å; V412-C418 WeakPolarHBondContact CG2-O 3.5Å
413	N	57.3	Low	60	Low	110 Å²	110	95.1 Å²	95.1	59%	0.588	50%	0.497	S	S	*	.	H	α-helix	trans	-75.7	-31.4	177.8	-76.8	-29.9	0	0	0	113.4	M409 N410	M409-N413 WeakPolarHBondContact CE-ND2 3.26Å; M409-N413 WeakPolarHBondContact CE-OD1 3.15Å; M409-N413 PolarHBondContact O-N 3.22Å; M409-N413 PolarHBondContact O-ND2 3.48Å; N410-N413 PolarHBondContact O-N 3.34Å
414	T	55.6	Low	57.7	Low	108 Å²	108	94 Å²	94	66%	0.663	51%	0.51	S	S	*	.	H	α-helix	trans	-86.6	-34.3	-176.8	40	0	0	0	0	112.8	N410 L411	N410-T414 WeakPolarHBondContact O-CB 3.42Å; N410-T414 PolarHBondContact O-N 3.25Å; N410-T414 PolarHBondContact O-OG1 3.42Å; L411-T414 WeakPolarHBondContact CA-OG1 3.33Å; L411-T414 PolarHBondContact O-N 3.38Å; L411-T414 PolarHBondContact O-OG1 2.98Å
415	S	46.2	Very low	56	Low	32 Å²	32	98 Å²	98	22%	0.224	52%	0.523	C	S	.	.			trans	-91.1	121.3	175.8	-166.5	0	0	0	0	110.3	L411 I417 C418	L411-S415 WeakPolarHBondContact O-CB 3.48Å; L411-S415 PolarHBondContact O-N 3.45Å; S415-I417 PolarHBondContact O-N 3.31Å; S415-I417 WeakPolarHBondContact OG-CB 3.38Å; S415-C418 PolarHBondContact O-N 3.23Å
416	P	48.7	Very low	54.3	Low	95 Å²	95	98.8 Å²	98.8	62%	0.617	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.4	172.3	25.3	-32.4	0	0	0	113.3
417	I	51	Low	52.4	Low	80 Å²	80	100 Å²	100	41%	0.41	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.7	-175.3	-61.1	171.7	0	0	0	112.2	S415	S415-I417 PolarHBondContact O-N 3.31Å; S415-I417 WeakPolarHBondContact OG-CB 3.38Å
418	C	42.2	Very low	50.6	Low	50 Å²	50	101.3 Å²	101.3	34%	0.338	55%	0.552	S	S	.	*			trans	-118.8	37.8	-160.5	-77.4	0	0	0	0	116.8	V412 S415 I420	V412-C418 HydrophobicContact CB-CB 4.48Å; V412-C418 WeakPolarHBondContact CG1-O 3.5Å; V412-C418 HydrophobicContact CG2-CB 4Å; V412-C418 WeakPolarHBondContact CG2-O 3.5Å; S415-C418 PolarHBondContact O-N 3.23Å; C418-I420 PolarHBondContact O-N 3.2Å; C418-I420 VanDerWaalsContact O-N 3.13Å
419	S	44.9	Very low	49	Very low	48 Å²	48	103.4 Å²	103.4	34%	0.336	56%	0.564	S	S	.	*			trans	-78.7	19.6	169	-24.1	0	0	0	0	114.3	Y421 Q440	S419-Y421 VanDerWaalsContact C-N 3.27Å; S419-Y421 PolarHBondContact O-N 2.8Å; S419-Q440 VanDerWaalsContact CB-OE1 3.29Å; S419-Q440 PolarHBondContact OG-NE2 3.02Å; S419-Q440 PolarHBondContact OG-OE1 3.43Å; S419-Q440 VanDerWaalsContact OG-OE1 3.09Å
420	I	45.8	Very low	47.7	Very low	79 Å²	79	111.1 Å²	111.1	41%	0.405	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-17.3	-164.3	-63.1	175.6	0	0	0	113.2	C418 L461	C418-I420 PolarHBondContact O-N 3.2Å; C418-I420 VanDerWaalsContact O-N 3.13Å; I420-L461 HydrophobicContact CD1-CD1 4.47Å; I420-L461 HydrophobicContact CG2-CD1 4.16Å
421	Y	44.5	Very low	46.4	Very low	195 Å²	195	116.6 Å²	116.6	77%	0.765	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	68.8	179	-51.2	-78.7	0	0	0	112	S419 T423	S419-Y421 VanDerWaalsContact C-N 3.27Å; S419-Y421 PolarHBondContact O-N 2.8Å; Y421-T423 PolarHBondContact O-N 2.85Å
422	K	43.7	Very low	45.4	Very low	119 Å²	119	119.1 Å²	119.1	52%	0.517	62%	0.623	S	S	.	*			trans	-89.9	89.2	149.2	-75.3	-168.3	177.4	-170.4	0	107.2	G424	K422-G424 PolarHBondContact O-N 3.14Å
423	T	42.6	Very low	44.4	Very low	118 Å²	118	124.1 Å²	124.1	72%	0.724	65%	0.648	S	S	*	*			trans	-42.2	132	162.8	32.6	0	0	0	0	108.5	Y421 K425	Y421-T423 PolarHBondContact O-N 2.85Å; T423-K425 PolarHBondContact O-N 2.77Å
424	G	39.1	Very low	43.8	Very low	80 Å²	80	124.3 Å²	124.3	83%	0.825	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	24.3	-162.6	0	0	0	0	0	117.6	K422	K422-G424 PolarHBondContact O-N 3.14Å
425	K	42.6	Very low	43.2	Very low	198 Å²	198	124.5 Å²	124.5	86%	0.861	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-16.9	-178.1	-150.5	165.1	-174.2	173.9	0	114.4	T423	T423-K425 PolarHBondContact O-N 2.77Å
426	E	45.6	Very low	43.2	Very low	161 Å²	161	131.9 Å²	131.9	75%	0.752	68%	0.682	S	S	*	*	S	Bend	trans	-106.9	-1.8	-174.9	-67.2	-173.1	177.7	0	0	115.6
427	M	37.8	Very low	43.4	Very low	151 Å²	151	133.7 Å²	133.7	74%	0.744	69%	0.687	S	S	*	*			trans	-91.8	0.8	-172.4	-93.3	-143.5	175	0	0	116.7	D429	M427-D429 PolarHBondContact O-N 2.74Å
428	C	40.9	Very low	44.4	Very low	115 Å²	115	132.3 Å²	132.3	78%	0.777	68%	0.682	S	S	*	*	S	Bend	trans	-64.6	-33.4	-177.5	-76.6	0	0	0	0	114.2
429	D	39.3	Very low	45.8	Very low	141 Å²	141	131.1 Å²	131.1	75%	0.754	67%	0.672	S	S	*	*	S	Bend	trans	-127	-13.3	-156.7	-73.2	-45.3	0	0	0	122	M427	M427-D429 PolarHBondContact O-N 2.74Å
430	R	42.6	Very low	47.3	Very low	238 Å²	238	132 Å²	132	90%	0.898	67%	0.671	S	S	*	*	S	Bend	trans	-136.6	-4.8	-167.1	-77.1	-168.2	176.8	169.9	-0.4	123.2
431	K	42.5	Very low	48.9	Very low	182 Å²	182	133 Å²	133	79%	0.791	67%	0.674	S	S	*	*			trans	-142.9	41.6	-176.9	-69.1	-172.6	-179.6	176.1	0	116.1	N433	K431-N433 PolarHBondContact O-N 3.09Å
432	L	41.2	Very low	50.9	Low	156 Å²	156	126.3 Å²	126.3	82%	0.817	65%	0.647	S	S	*	*	S	Bend	trans	-66.9	-18.2	173.3	-140.9	102.5	0	0	0	113.5
433	N	38.9	Very low	52.9	Low	151 Å²	151	121.3 Å²	121.3	81%	0.807	63%	0.626	S	S	*	*	S	Bend	trans	-115.6	-4.3	-161	-73.1	-5.5	0	0	0	118.2	K431	K431-N433 PolarHBondContact O-N 3.09Å
434	T	43.3	Very low	55	Low	113 Å²	113	121.1 Å²	121.1	69%	0.693	62%	0.615	S	S	*	*	S	Bend	trans	-104.4	-12.8	-164.4	25.1	0	0	0	0	119
435	V	44.6	Very low	57.3	Low	112 Å²	112	121.8 Å²	121.8	68%	0.679	60%	0.599	S	S	*	*	S	Bend	trans	-141.9	97	176.3	-168.8	0	0	0	0	112
436	K	46.3	Very low	59.6	Low	188 Å²	188	112.5 Å²	112.5	82%	0.817	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-4.1	129.2	148.8	-71.9	170.1	171.5	173.3	0	115.8	T438	K436-T438 PolarHBondContact O-N 3.12Å; K436-T438 VanDerWaalsContact O-N 3.11Å
437	N	52.1	Low	61.7	Low	133 Å²	133	106.4 Å²	106.4	71%	0.711	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.5	144.7	-78	-18.7	0	0	0	117	I439	N437-I439 PolarHBondContact O-N 3.38Å; N437-I439 VanDerWaalsContact O-N 3.12Å
438	T	71.2	Confident	64.1	Low	50 Å²	50	103.2 Å²	103.2	31%	0.307	52%	0.515	S	S	.	.			trans	-63.9	125.7	169.1	-36.7	0	0	0	0	107.7	K436 Q440 Q441	K436-T438 PolarHBondContact O-N 3.12Å; K436-T438 VanDerWaalsContact O-N 3.11Å; T438-Q440 HydrophobicContact CG2-CB 3.8Å; T438-Q440 HydrophobicContact CG2-CG 3.78Å; T438-Q440 PolarHBondContact O-N 3.41Å; T438-Q441 PolarHBondContact O-N 2.88Å
439	I	73.2	Confident	66.5	Low	26 Å²	26	101.3 Å²	101.3	13%	0.133	49%	0.493	C	S	.	.	H	α-helix	trans	-44	-32.7	172.1	-72.7	165	0	0	0	110.6	N437 R442 L443 M475 I478 L482	N437-I439 PolarHBondContact O-N 3.38Å; N437-I439 VanDerWaalsContact O-N 3.12Å; I439-R442 PolarHBondContact O-N 2.94Å; I439-L443 VanDerWaalsContact O-CB 3.29Å; I439-L443 WeakPolarHBondContact O-CB 3.33Å; I439-L443 PolarHBondContact O-N 2.71Å; I439-M475 HydrophobicContact CD1-CE 3.43Å; I439-M475 VanDerWaalsContact CD1-CE 3.43Å; I439-M475 HydrophobicContact CD1-SD 3.63Å; I439-I478 HydrophobicContact CD1-CG2 3.84Å; I439-I478 HydrophobicContact CG2-CD1 3.88Å; I439-I478 HydrophobicContact CG2-CG1 4.17Å; I439-L482 HydrophobicContact CG2-CD1 3.69Å
440	Q	75.4	Confident	68.8	Low	67 Å²	67	94.6 Å²	94.6	31%	0.313	46%	0.458	S	S	.	.	H	α-helix	trans	-56.8	-45.9	173.3	-64.4	170.1	-5.3	0	0	114.5	S419 T438 L443 F444	S419-Q440 VanDerWaalsContact CB-OE1 3.29Å; S419-Q440 PolarHBondContact OG-NE2 3.02Å; S419-Q440 PolarHBondContact OG-OE1 3.43Å; S419-Q440 VanDerWaalsContact OG-OE1 3.09Å; T438-Q440 HydrophobicContact CG2-CB 3.8Å; T438-Q440 HydrophobicContact CG2-CG 3.78Å; T438-Q440 PolarHBondContact O-N 3.41Å; Q440-L443 PolarHBondContact O-N 3.18Å; Q440-F444 WeakPolarHBondContact O-CB 3.46Å; Q440-F444 PolarHBondContact O-N 3.34Å
441	Q	80.1	Confident	71	Confident	100 Å²	100	89.3 Å²	89.3	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-65.3	-42.5	178.1	-71.7	-178.1	-18.7	0	0	111	T438 L443 F444 I445	T438-Q441 PolarHBondContact O-N 2.88Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 2.92Å; Q441-F444 PolarHBondContact O-N 3.46Å; Q441-I445 VanDerWaalsContact O-CG1 3.27Å; Q441-I445 WeakPolarHBondContact O-CG1 3.4Å; Q441-I445 PolarHBondContact O-N 3.45Å
442	R	85	Confident	73.2	Confident	54 Å²	54	81.2 Å²	81.2	20%	0.204	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-43.1	176.6	-66.3	173.9	64.6	-157.9	-2	110.8	I439 I445 V446 N479 L482 E486	I439-R442 PolarHBondContact O-N 2.94Å; R442-I445 PolarHBondContact O-N 3.15Å; R442-V446 WeakPolarHBondContact O-CG2 3.48Å; R442-V446 PolarHBondContact O-N 2.93Å; R442-V446 VanDerWaalsContact O-N 3.08Å; R442-N479 PolarHBondContact NH1-OD1 3.04Å; R442-N479 VanDerWaalsContact NH1-OD1 3.13Å; R442-L482 HydrophobicContact CB-CD1 4.03Å; R442-L482 HydrophobicContact CB-CD2 3.65Å; R442-L482 HydrophobicContact CB-CG 4.49Å; R442-L482 VanDerWaalsContact CZ-CD2 3.44Å; R442-L482 VanDerWaalsContact NH2-CD2 3.33Å; R442-E486 IonicContact CZ-OE1 2.82Å; R442-E486 VanDerWaalsContact CZ-OE1 3.3Å; R442-E486 IonicContact CZ-OE2 3.76Å; R442-E486 IonicContact NE-OE1 2.84Å; R442-E486 PolarHBondContact NE-OE1 3.25Å; R442-E486 IonicContact NE-OE2 3.26Å; R442-E486 IonicContact NH2-OE1 2.65Å; R442-E486 PolarHBondContact NH2-OE1 3Å; R442-E486 IonicContact NH2-OE2 2.84Å; R442-E486 PolarHBondContact NH2-OE2 3.3Å
443	L	86.5	Confident	75.4	Confident	14 Å²	14	76.9 Å²	76.9	7%	0.073	39%	0.386	C	S	.	.	H	α-helix	trans	-65.4	-41.5	177.5	-169.6	60.5	0	0	0	112	I439 Q440 Q441 I445 V446 W447 L461 L482 L485	I439-L443 VanDerWaalsContact O-CB 3.29Å; I439-L443 WeakPolarHBondContact O-CB 3.33Å; I439-L443 PolarHBondContact O-N 2.71Å; Q440-L443 PolarHBondContact O-N 3.18Å; Q441-L443 VanDerWaalsContact C-N 3.31Å; Q441-L443 PolarHBondContact O-N 2.92Å; L443-I445 PolarHBondContact O-N 3.49Å; L443-V446 PolarHBondContact O-N 3.35Å; L443-W447 HydrophobicContact CD1-CZ2 4.05Å; L443-W447 HydrophobicContact CD2-CH2 3.6Å; L443-W447 HydrophobicContact CD2-CZ2 3.24Å; L443-W447 HydrophobicContact CD2-CZ3 4.45Å; L443-W447 HydrophobicContact CG-CD2 3.96Å; L443-W447 HydrophobicContact CG-CE3 4.42Å; L443-W447 HydrophobicContact CG-CH2 3.91Å; L443-W447 HydrophobicContact CG-CZ2 3.39Å; L443-W447 HydrophobicContact CG-CZ3 4.39Å; L443-W447 WeakPolarHBondContact O-CB 3.38Å; L443-W447 PolarHBondContact O-N 2.96Å; L443-L461 HydrophobicContact CD2-CD2 3.65Å; L443-L482 HydrophobicContact CB-CD1 4.17Å; L443-L485 HydrophobicContact CD1-CD2 4.29Å
444	F	86.7	Confident	77.6	Confident	114 Å²	114	75 Å²	75	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.4	-174.8	-103.8	0	0	0	112.4	Q440 Q441 V446 W447 N448	Q440-F444 WeakPolarHBondContact O-CB 3.46Å; Q440-F444 PolarHBondContact O-N 3.34Å; Q441-F444 PolarHBondContact O-N 3.46Å; F444-V446 VanDerWaalsContact C-N 3.31Å; F444-V446 PolarHBondContact O-N 2.82Å; F444-W447 PolarHBondContact O-N 3.4Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.04Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.33Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.44Å; F444-N448 WeakPolarHBondContact O-CB 3.45Å; F444-N448 PolarHBondContact O-N 3Å; F444-N448 PolarHBondContact O-ND2 3.34Å
445	I	88.3	Confident	79.6	Confident	94 Å²	94	73.4 Å²	73.4	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-45.6	174.4	-68.8	162.6	0	0	0	110.5	Q441 R442 L443 N448 K449	Q441-I445 VanDerWaalsContact O-CG1 3.27Å; Q441-I445 WeakPolarHBondContact O-CG1 3.4Å; Q441-I445 PolarHBondContact O-N 3.45Å; R442-I445 PolarHBondContact O-N 3.15Å; L443-I445 PolarHBondContact O-N 3.49Å; I445-N448 PolarHBondContact O-N 2.97Å; I445-K449 HydrophobicContact CG2-CD 4.48Å; I445-K449 WeakPolarHBondContact O-CG 3.48Å; I445-K449 PolarHBondContact O-N 2.94Å
446	V	89.9	Confident	81.6	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-42.9	178.9	169	0	0	0	0	111.8	R442 L443 F444 N448 K449 L450 L485 E486 A489	R442-V446 WeakPolarHBondContact O-CG2 3.48Å; R442-V446 PolarHBondContact O-N 2.93Å; R442-V446 VanDerWaalsContact O-N 3.08Å; L443-V446 PolarHBondContact O-N 3.35Å; F444-V446 VanDerWaalsContact C-N 3.31Å; F444-V446 PolarHBondContact O-N 2.82Å; V446-N448 VanDerWaalsContact C-N 3.33Å; V446-N448 PolarHBondContact O-N 3.49Å; V446-K449 PolarHBondContact O-N 3.32Å; V446-L450 HydrophobicContact CG1-CD1 4.02Å; V446-L450 PolarHBondContact O-N 2.89Å; V446-L485 HydrophobicContact CG1-CB 4.4Å; V446-L485 HydrophobicContact CG1-CD2 3.53Å; V446-L485 HydrophobicContact CG1-CG 3.56Å; V446-E486 HydrophobicContact CG2-CB 4.36Å; V446-E486 HydrophobicContact CG2-CG 3.58Å; V446-A489 HydrophobicContact CG1-CB 4.08Å
447	W	90.1	Very high	83.6	Confident	32 Å²	32	62.2 Å²	62.2	12%	0.121	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-39.4	176.2	-67.6	-17.6	0	0	0	112.7	L443 F444 L450 K451 L452 K457 C460 L461	L443-W447 HydrophobicContact CD1-CZ2 4.05Å; L443-W447 HydrophobicContact CD2-CH2 3.6Å; L443-W447 HydrophobicContact CD2-CZ2 3.24Å; L443-W447 HydrophobicContact CD2-CZ3 4.45Å; L443-W447 HydrophobicContact CG-CD2 3.96Å; L443-W447 HydrophobicContact CG-CE3 4.42Å; L443-W447 HydrophobicContact CG-CH2 3.91Å; L443-W447 HydrophobicContact CG-CZ2 3.39Å; L443-W447 HydrophobicContact CG-CZ3 4.39Å; L443-W447 WeakPolarHBondContact O-CB 3.38Å; L443-W447 PolarHBondContact O-N 2.96Å; F444-W447 PolarHBondContact O-N 3.4Å; W447-L450 PolarHBondContact O-N 3.1Å; W447-K451 WeakPolarHBondContact O-CA 3.31Å; W447-K451 PolarHBondContact O-N 3.39Å; W447-L452 VanDerWaalsContact CD1-CD1 3.45Å; W447-L452 HydrophobicContact CG-CD1 4.25Å; W447-L452 PolarHBondContact O-N 3.36Å; W447-K457 HydrophobicContact CB-CG 4.5Å; W447-K457 HydrophobicContact CD2-CB 4.33Å; W447-K457 HydrophobicContact CD2-CD 4.08Å; W447-K457 HydrophobicContact CD2-CG 3.79Å; W447-K457 HydrophobicContact CE3-CB 4.49Å; W447-K457 HydrophobicContact CE3-CD 3.8Å; W447-K457 HydrophobicContact CE3-CG 4.02Å; W447-K457 HydrophobicContact CG-CG 4.06Å; W447-K457 HydrophobicContact CH2-CB 4.31Å; W447-K457 HydrophobicContact CZ2-CB 4.1Å; W447-K457 HydrophobicContact CZ2-CG 4.47Å; W447-K457 HydrophobicContact CZ3-CB 4.49Å; W447-K457 HydrophobicContact CZ3-CD 4.2Å; W447-K457 HydrophobicContact CZ3-CG 4.47Å; W447-C460 PolarHBondContact NE1-SG 3.03Å; W447-L461 HydrophobicContact CH2-CD1 3.94Å; W447-L461 HydrophobicContact CH2-CD2 3.91Å; W447-L461 HydrophobicContact CH2-CG 3.87Å; W447-L461 HydrophobicContact CZ2-CD1 4.34Å; W447-L461 HydrophobicContact CZ2-CD2 3.91Å; W447-L461 HydrophobicContact CZ2-CG 3.8Å
448	N	89.1	Confident	85.2	Confident	84 Å²	84	61 Å²	61	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-39.5	175.9	-69.1	-16	0	0	0	111.7	F444 I445 V446 K451	F444-N448 WeakPolarHBondContact CD1-ND2 3.04Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.33Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.44Å; F444-N448 WeakPolarHBondContact O-CB 3.45Å; F444-N448 PolarHBondContact O-N 3Å; F444-N448 PolarHBondContact O-ND2 3.34Å; I445-N448 PolarHBondContact O-N 2.97Å; V446-N448 VanDerWaalsContact C-N 3.33Å; V446-N448 PolarHBondContact O-N 3.49Å; N448-K451 PolarHBondContact O-N 2.88Å
449	K	90.1	Very high	85.9	Confident	75 Å²	75	63.2 Å²	63.2	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-42.4	175.5	-73.4	-175.6	176.8	-144.9	0	112.7	I445 V446 K451 A489 E493	I445-K449 HydrophobicContact CG2-CD 4.48Å; I445-K449 WeakPolarHBondContact O-CG 3.48Å; I445-K449 PolarHBondContact O-N 2.94Å; V446-K449 PolarHBondContact O-N 3.32Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K449-A489 HydrophobicContact CB-CB 4.23Å; K449-A489 HydrophobicContact CD-CB 4.4Å; K449-E493 WeakPolarHBondContact CD-OE2 3.41Å; K449-E493 VanDerWaalsContact CE-OE2 3.3Å; K449-E493 WeakPolarHBondContact CE-OE2 3.33Å; K449-E493 IonicContact NZ-OE2 3.65Å; K449-E493 PolarHBondContact NZ-OE2 3.48Å
450	L	88.5	Confident	86.4	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-80.6	-9.5	178.9	-68.7	177.2	0	0	0	113.6	V446 W447 L452 L485 A489 V492 L560 F562 N563	V446-L450 HydrophobicContact CG1-CD1 4.02Å; V446-L450 PolarHBondContact O-N 2.89Å; W447-L450 PolarHBondContact O-N 3.1Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 HydrophobicContact CB-CD2 3.9Å; L450-L452 HydrophobicContact CB-CG 3.9Å; L450-L452 PolarHBondContact O-N 3.3Å; L450-L485 HydrophobicContact CD1-CD1 4.25Å; L450-A489 HydrophobicContact CD1-CB 4.41Å; L450-A489 HydrophobicContact CD2-CB 4.14Å; L450-A489 HydrophobicContact CG-CB 3.99Å; L450-V492 HydrophobicContact CD2-CB 4.11Å; L450-V492 HydrophobicContact CD2-CG1 4Å; L450-V492 HydrophobicContact CD2-CG2 4.15Å; L450-L560 HydrophobicContact CD1-CD1 4.15Å; L450-L560 HydrophobicContact CD2-CD1 4.27Å; L450-F562 WeakPolarHBondContact O-CA 3.29Å; L450-F562 VanDerWaalsContact O-CD2 3.26Å; L450-F562 WeakPolarHBondContact O-CD2 3.45Å; L450-N563 PolarHBondContact O-N 2.78Å
451	K	89.1	Confident	86.8	Confident	128 Å²	128	60.3 Å²	60.3	56%	0.557	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	51.3	-175.4	-59.3	-177.9	178.1	-177.8	0	111.9	W447 N448 K449 F562	W447-K451 WeakPolarHBondContact O-CA 3.31Å; W447-K451 PolarHBondContact O-N 3.39Å; N448-K451 PolarHBondContact O-N 2.88Å; K449-K451 VanDerWaalsContact C-N 3.29Å; K451-F562 HydrophobicContact CD-CZ 4.48Å
452	L	87.1	Confident	86.9	Confident	12 Å²	12	60.4 Å²	60.4	6%	0.063	29%	0.292	C	S	.	.			trans	-73.2	137.6	179.6	-61.5	-172.8	0	0	0	111.3	W447 L450 E456 K457 T561	W447-L452 VanDerWaalsContact CD1-CD1 3.45Å; W447-L452 HydrophobicContact CG-CD1 4.25Å; W447-L452 PolarHBondContact O-N 3.36Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 HydrophobicContact CB-CD2 3.9Å; L450-L452 HydrophobicContact CB-CG 3.9Å; L450-L452 PolarHBondContact O-N 3.3Å; L452-E456 HydrophobicContact CB-CB 4.06Å; L452-E456 HydrophobicContact CD2-CB 4.29Å; L452-K457 HydrophobicContact CB-CG 4.03Å; L452-K457 WeakPolarHBondContact O-CE 3.2Å; L452-T561 WeakPolarHBondContact CD2-OG1 3.09Å
453	T	88.7	Confident	86.8	Confident	64 Å²	64	60.8 Å²	60.8	39%	0.393	30%	0.295	S	S	.	.			trans	-68.9	164	168.8	58.7	0	0	0	0	111.2	S455 E456 K457	T453-S455 VanDerWaalsContact C-N 3.3Å; T453-S455 PolarHBondContact O-N 3.22Å; T453-S455 PolarHBondContact OG1-OG 3.2Å; T453-E456 PolarHBondContact N-OE2 3.16Å; T453-E456 PolarHBondContact O-N 3.36Å; T453-E456 VanDerWaalsContact O-N 3.15Å; T453-E456 VanDerWaalsContact OG1-CD 3.3Å; T453-E456 WeakPolarHBondContact OG1-CG 3.43Å; T453-E456 PolarHBondContact OG1-N 3.31Å; T453-E456 PolarHBondContact OG1-OE2 2.96Å; T453-K457 WeakPolarHBondContact O-CG 3.21Å; T453-K457 PolarHBondContact O-N 2.73Å
454	E	84.4	Confident	86.3	Confident	112 Å²	112	60.8 Å²	60.8	52%	0.523	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-38	-177.1	-165.9	55.4	-145.3	0	0	112.6	K457 Q458	E454-K457 PolarHBondContact O-N 2.89Å; E454-K457 WeakPolarHBondContact OE2-CD 3.36Å; E454-K457 IonicContact OE2-NZ 3.19Å; E454-K457 PolarHBondContact OE2-NZ 3Å; E454-Q458 WeakPolarHBondContact O-CG 3.47Å; E454-Q458 PolarHBondContact O-N 2.89Å
455	S	85.9	Confident	85.6	Confident	79 Å²	79	57.3 Å²	57.3	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-40.9	173.8	52.6	0	0	0	0	112.2	T453 Q458 Y459	T453-S455 VanDerWaalsContact C-N 3.3Å; T453-S455 PolarHBondContact O-N 3.22Å; T453-S455 PolarHBondContact OG1-OG 3.2Å; S455-Q458 PolarHBondContact O-N 3.28Å; S455-Y459 WeakPolarHBondContact O-CB 3.39Å; S455-Y459 PolarHBondContact O-N 3.49Å
456	E	86.4	Confident	84.7	Confident	25 Å²	25	63 Å²	63	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-67.6	-36	176.1	-71.8	172.9	126.1	0	0	112.5	L452 T453 Y459 C460 T561 G564	L452-E456 HydrophobicContact CB-CB 4.06Å; L452-E456 HydrophobicContact CD2-CB 4.29Å; T453-E456 PolarHBondContact N-OE2 3.16Å; T453-E456 PolarHBondContact O-N 3.36Å; T453-E456 VanDerWaalsContact O-N 3.15Å; T453-E456 VanDerWaalsContact OG1-CD 3.3Å; T453-E456 WeakPolarHBondContact OG1-CG 3.43Å; T453-E456 PolarHBondContact OG1-N 3.31Å; T453-E456 PolarHBondContact OG1-OE2 2.96Å; E456-Y459 PolarHBondContact O-N 3.31Å; E456-C460 VanDerWaalsContact O-CB 3.26Å; E456-C460 WeakPolarHBondContact O-CB 3.26Å; E456-C460 PolarHBondContact O-N 2.88Å; E456-T561 WeakPolarHBondContact OE1-CB 3.17Å; E456-T561 PolarHBondContact OE1-OG1 2.86Å; E456-G564 WeakPolarHBondContact OE1-CA 3.48Å
457	K	88.4	Confident	83.2	Confident	41 Å²	41	67.8 Å²	67.8	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-44.5	173	-66.8	177.2	-154.5	158.2	0	111	W447 L452 T453 E454 C460 L461	W447-K457 HydrophobicContact CB-CG 4.5Å; W447-K457 HydrophobicContact CD2-CB 4.33Å; W447-K457 HydrophobicContact CD2-CD 4.08Å; W447-K457 HydrophobicContact CD2-CG 3.79Å; W447-K457 HydrophobicContact CE3-CB 4.49Å; W447-K457 HydrophobicContact CE3-CD 3.8Å; W447-K457 HydrophobicContact CE3-CG 4.02Å; W447-K457 HydrophobicContact CG-CG 4.06Å; W447-K457 HydrophobicContact CH2-CB 4.31Å; W447-K457 HydrophobicContact CZ2-CB 4.1Å; W447-K457 HydrophobicContact CZ2-CG 4.47Å; W447-K457 HydrophobicContact CZ3-CB 4.49Å; W447-K457 HydrophobicContact CZ3-CD 4.2Å; W447-K457 HydrophobicContact CZ3-CG 4.47Å; L452-K457 HydrophobicContact CB-CG 4.03Å; L452-K457 WeakPolarHBondContact O-CE 3.2Å; T453-K457 WeakPolarHBondContact O-CG 3.21Å; T453-K457 PolarHBondContact O-N 2.73Å; E454-K457 PolarHBondContact O-N 2.89Å; E454-K457 WeakPolarHBondContact OE2-CD 3.36Å; E454-K457 IonicContact OE2-NZ 3.19Å; E454-K457 PolarHBondContact OE2-NZ 3Å; K457-C460 WeakPolarHBondContact O-CB 3.42Å; K457-C460 PolarHBondContact O-N 3.47Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 2.79Å
458	Q	84.9	Confident	81.7	Confident	107 Å²	107	69.5 Å²	69.5	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-43.4	175.5	-69.8	173.7	6.9	0	0	111.5	E454 S455 C460 L461 L462	E454-Q458 WeakPolarHBondContact O-CG 3.47Å; E454-Q458 PolarHBondContact O-N 2.89Å; S455-Q458 PolarHBondContact O-N 3.28Å; Q458-C460 PolarHBondContact O-N 2.98Å; Q458-L461 PolarHBondContact O-N 3.23Å; Q458-L462 WeakPolarHBondContact O-CB 3.32Å; Q458-L462 PolarHBondContact O-N 3.43Å
459	Y	85.8	Confident	80.2	Confident	97 Å²	97	74.4 Å²	74.4	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-45	175.1	177.9	-96.6	0	0	0	112.3	S455 E456 L461 L462 K463 Y558	S455-Y459 WeakPolarHBondContact O-CB 3.39Å; S455-Y459 PolarHBondContact O-N 3.49Å; E456-Y459 PolarHBondContact O-N 3.31Å; Y459-L461 PolarHBondContact O-N 3.5Å; Y459-L462 PolarHBondContact O-N 2.92Å; Y459-K463 HydrophobicContact CD1-CG 4.3Å; Y459-K463 HydrophobicContact CE1-CG 3.9Å; Y459-K463 HydrophobicContact CE2-CG 4.21Å; Y459-K463 WeakPolarHBondContact O-CG 3.09Å; Y459-K463 PolarHBondContact O-N 2.79Å; Y459-K463 WeakPolarHBondContact OH-CE 3.3Å; Y459-Y558 HydrophobicContact CD1-CD2 4.37Å; Y459-Y558 HydrophobicContact CD1-CE2 4.03Å; Y459-Y558 HydrophobicContact CE1-CD2 4Å; Y459-Y558 HydrophobicContact CE1-CE2 4.06Å
460	C	83.7	Confident	79	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-56.8	-49.2	174.1	174.3	0	0	0	0	110.8	W447 E456 K457 Q458 K463 F464 Y558	W447-C460 PolarHBondContact NE1-SG 3.03Å; E456-C460 VanDerWaalsContact O-CB 3.26Å; E456-C460 WeakPolarHBondContact O-CB 3.26Å; E456-C460 PolarHBondContact O-N 2.88Å; K457-C460 WeakPolarHBondContact O-CB 3.42Å; K457-C460 PolarHBondContact O-N 3.47Å; Q458-C460 PolarHBondContact O-N 2.98Å; C460-K463 PolarHBondContact O-N 3.01Å; C460-F464 WeakPolarHBondContact O-CD2 3.47Å; C460-F464 PolarHBondContact O-N 3.03Å; C460-F464 VanDerWaalsContact O-N 3.1Å; C460-F464 VanDerWaalsContact SG-CD2 3.56Å; C460-F464 WeakPolarHBondContact SG-CE2 3.46Å; C460-Y558 HydrophobicContact CB-CE2 4.04Å
461	L	83.7	Confident	77.7	Confident	32 Å²	32	79.2 Å²	79.2	17%	0.168	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-46.6	176.6	-73.1	174.4	0	0	0	111.9	I420 L443 W447 K457 Q458 Y459 K463 F464 C465	I420-L461 HydrophobicContact CD1-CD1 4.47Å; I420-L461 HydrophobicContact CG2-CD1 4.16Å; L443-L461 HydrophobicContact CD2-CD2 3.65Å; W447-L461 HydrophobicContact CH2-CD1 3.94Å; W447-L461 HydrophobicContact CH2-CD2 3.91Å; W447-L461 HydrophobicContact CH2-CG 3.87Å; W447-L461 HydrophobicContact CZ2-CD1 4.34Å; W447-L461 HydrophobicContact CZ2-CD2 3.91Å; W447-L461 HydrophobicContact CZ2-CG 3.8Å; K457-L461 WeakPolarHBondContact O-CG 3.39Å; K457-L461 PolarHBondContact O-N 2.79Å; Q458-L461 PolarHBondContact O-N 3.23Å; Y459-L461 PolarHBondContact O-N 3.5Å; L461-K463 VanDerWaalsContact C-N 3.32Å; L461-K463 PolarHBondContact O-N 2.95Å; L461-F464 PolarHBondContact O-N 2.98Å; L461-C465 WeakPolarHBondContact O-CA 3.28Å; L461-C465 WeakPolarHBondContact O-CB 3.18Å; L461-C465 PolarHBondContact O-N 2.92Å; L461-C465 PolarHBondContact O-SG 3.44Å
462	L	83.7	Confident	76.7	Confident	102 Å²	102	78.3 Å²	78.3	53%	0.534	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-45.4	-179.7	-174.9	68.3	0	0	0	110.8	Q458 Y459 W466	Q458-L462 WeakPolarHBondContact O-CB 3.32Å; Q458-L462 PolarHBondContact O-N 3.43Å; Y459-L462 PolarHBondContact O-N 2.92Å; L462-W466 HydrophobicContact CD1-CB 4.22Å; L462-W466 HydrophobicContact CD1-CE3 4.5Å; L462-W466 HydrophobicContact CD1-CG 4.42Å; L462-W466 WeakPolarHBondContact O-CB 3.41Å; L462-W466 PolarHBondContact O-N 3.23Å
463	K	81.7	Confident	75.9	Confident	62 Å²	62	81.8 Å²	81.8	27%	0.27	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-43.7	179.6	-71.5	-64.8	-172.7	-179.5	0	113	Y459 C460 L461 Y558	Y459-K463 HydrophobicContact CD1-CG 4.3Å; Y459-K463 HydrophobicContact CE1-CG 3.9Å; Y459-K463 HydrophobicContact CE2-CG 4.21Å; Y459-K463 WeakPolarHBondContact O-CG 3.09Å; Y459-K463 PolarHBondContact O-N 2.79Å; Y459-K463 WeakPolarHBondContact OH-CE 3.3Å; C460-K463 PolarHBondContact O-N 3.01Å; L461-K463 VanDerWaalsContact C-N 3.32Å; L461-K463 PolarHBondContact O-N 2.95Å; K463-Y558 HydrophobicContact CB-CD2 4.39Å; K463-Y558 HydrophobicContact CG-CD2 4.47Å
464	F	76.7	Confident	75.2	Confident	13 Å²	13	80.2 Å²	80.2	6%	0.057	40%	0.397	C	S	.	.	H	α-helix	trans	-83.5	-31.4	-177	-64.5	-56.7	0	0	0	113.8	C460 L461 A481 L485 F556 Y558	C460-F464 WeakPolarHBondContact O-CD2 3.47Å; C460-F464 PolarHBondContact O-N 3.03Å; C460-F464 VanDerWaalsContact O-N 3.1Å; C460-F464 VanDerWaalsContact SG-CD2 3.56Å; C460-F464 WeakPolarHBondContact SG-CE2 3.46Å; L461-F464 PolarHBondContact O-N 2.98Å; F464-A481 HydrophobicContact CD1-CB 3.53Å; F464-A481 HydrophobicContact CE1-CB 3.54Å; F464-A481 HydrophobicContact CG-CB 4.43Å; F464-A481 HydrophobicContact CZ-CB 4.43Å; F464-L485 HydrophobicContact CE2-CD2 4.25Å; F464-F556 HydrophobicContact CD1-CB 4.44Å; F464-F556 HydrophobicContact CD1-CD1 4.25Å; F464-F556 HydrophobicContact CD1-CG 4.3Å; F464-F556 HydrophobicContact CE1-CB 3.86Å; F464-F556 HydrophobicContact CE1-CD1 4.21Å; F464-F556 HydrophobicContact CE1-CD2 4.17Å; F464-F556 AromaticContact CE1-CG 3.8Å; F464-F556 HydrophobicContact CE1-CG 3.8Å; F464-Y558 HydrophobicContact CE2-CD2 4.14Å; F464-Y558 HydrophobicContact CE2-CE2 4.28Å; F464-Y558 HydrophobicContact CE2-CG 4.34Å; F464-Y558 HydrophobicContact CZ-CD1 4.16Å; F464-Y558 HydrophobicContact CZ-CD2 4.08Å; F464-Y558 AromaticContact CZ-CG 3.85Å; F464-Y558 HydrophobicContact CZ-CG 3.85Å
465	C	72.1	Confident	74.8	Confident	42 Å²	42	78.8 Å²	78.8	28%	0.284	39%	0.391	S	S	.	.	H	α-helix	trans	-91.4	-31.2	-174.5	-54.3	0	0	0	0	113.6	L461 Q467 Y474	L461-C465 WeakPolarHBondContact O-CA 3.28Å; L461-C465 WeakPolarHBondContact O-CB 3.18Å; L461-C465 PolarHBondContact O-N 2.92Å; L461-C465 PolarHBondContact O-SG 3.44Å; C465-Q467 PolarHBondContact O-N 3.24Å; C465-Y474 HydrophobicContact CB-CE2 4.24Å; C465-Y474 PolarHBondContact SG-OH 2.86Å
466	W	68.2	Low	74.5	Confident	214 Å²	214	77.2 Å²	77.2	81%	0.811	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-19.9	-176.4	-165.6	-99.2	0	0	0	113.9	L462 H468	L462-W466 HydrophobicContact CD1-CB 4.22Å; L462-W466 HydrophobicContact CD1-CE3 4.5Å; L462-W466 HydrophobicContact CD1-CG 4.42Å; L462-W466 WeakPolarHBondContact O-CB 3.41Å; L462-W466 PolarHBondContact O-N 3.23Å; W466-H468 VanDerWaalsContact C-N 3.3Å; W466-H468 PolarHBondContact O-N 2.73Å
467	Q	59.6	Low	74.3	Confident	102 Å²	102	77.4 Å²	77.4	48%	0.477	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.7	-166.6	-162.2	163.1	9.7	0	0	114.6	C465	C465-Q467 PolarHBondContact O-N 3.24Å
468	H	58.2	Low	74.1	Confident	69 Å²	69	75.9 Å²	75.9	32%	0.319	38%	0.38	S	S	.	.			trans	-140	128.7	-177.1	-69.7	-71.5	0	0	0	113.3	W466	W466-H468 VanDerWaalsContact C-N 3.3Å; W466-H468 PolarHBondContact O-N 2.73Å
469	L	56.9	Low	74.2	Confident	187 Å²	187	73.1 Å²	73.1	98%	0.979	37%	0.368	S	S	*	.	S	Bend	trans	-82.9	-25.4	178.2	-162.8	71.5	0	0	0	113.3
470	S	64.4	Low	74.2	Confident	59 Å²	59	75.2 Å²	75.2	41%	0.413	38%	0.379	S	S	.	.	S	Bend	trans	-87.6	125.5	-178.9	177.7	0	0	0	0	111.6	T472 I473 Y474	S470-T472 PolarHBondContact O-N 3Å; S470-I473 PolarHBondContact O-N 3.19Å; S470-Y474 WeakPolarHBondContact O-CB 3.24Å; S470-Y474 PolarHBondContact O-N 2.73Å
471	E	63.2	Low	74.4	Confident	116 Å²	116	75.3 Å²	75.3	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-56.9	-43.2	-175.5	-173.8	179	-178	0	0	113.3	Y474 M475	E471-Y474 PolarHBondContact O-N 3.36Å; E471-M475 WeakPolarHBondContact O-CB 3.48Å; E471-M475 VanDerWaalsContact O-CG 3.28Å; E471-M475 WeakPolarHBondContact O-CG 3.39Å; E471-M475 PolarHBondContact O-N 3.15Å
472	T	66.7	Low	74.6	Confident	109 Å²	109	74 Å²	74	67%	0.669	37%	0.373	S	S	*	.	H	α-helix	trans	-71.1	-41.8	-175.7	56.8	0	0	0	0	112.3	S470 A476	S470-T472 PolarHBondContact O-N 3Å; T472-A476 PolarHBondContact O-N 3.11Å
473	I	71.3	Confident	74.9	Confident	86 Å²	86	74.8 Å²	74.8	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-68.8	-43.1	176	-60	174.3	0	0	0	109.4	S470 M475 A476 T477	S470-I473 PolarHBondContact O-N 3.19Å; I473-M475 PolarHBondContact O-N 2.95Å; I473-A476 PolarHBondContact O-N 3.45Å; I473-T477 WeakPolarHBondContact O-CB 3.33Å; I473-T477 PolarHBondContact O-N 3.3Å; I473-T477 PolarHBondContact O-OG1 3.12Å
474	Y	74.4	Confident	75.3	Confident	31 Å²	31	72.8 Å²	72.8	12%	0.122	37%	0.365	C	S	.	.	H	α-helix	trans	-54.5	-52.5	175.9	168.2	-110.7	0	0	0	111.5	C465 S470 E471 A476 T477 I478	C465-Y474 HydrophobicContact CB-CE2 4.24Å; C465-Y474 PolarHBondContact SG-OH 2.86Å; S470-Y474 WeakPolarHBondContact O-CB 3.24Å; S470-Y474 PolarHBondContact O-N 2.73Å; E471-Y474 PolarHBondContact O-N 3.36Å; Y474-A476 VanDerWaalsContact C-N 3.31Å; Y474-A476 PolarHBondContact O-N 2.96Å; Y474-T477 PolarHBondContact O-N 3.31Å; Y474-I478 HydrophobicContact CE2-CB 4.17Å; Y474-I478 HydrophobicContact CE2-CD1 3.86Å; Y474-I478 WeakPolarHBondContact O-CB 3.34Å; Y474-I478 VanDerWaalsContact O-CG2 3.27Å; Y474-I478 WeakPolarHBondContact O-CG2 3.47Å; Y474-I478 PolarHBondContact O-N 3.36Å; Y474-I478 WeakPolarHBondContact OH-CD1 3.4Å
475	M	75.6	Confident	76	Confident	81 Å²	81	72.2 Å²	72.2	40%	0.399	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-36.7	-179	-73.5	-63.8	-75.6	0	0	112.9	I439 E471 I473 I478 N479	I439-M475 HydrophobicContact CD1-CE 3.43Å; I439-M475 VanDerWaalsContact CD1-CE 3.43Å; I439-M475 HydrophobicContact CD1-SD 3.63Å; E471-M475 WeakPolarHBondContact O-CB 3.48Å; E471-M475 VanDerWaalsContact O-CG 3.28Å; E471-M475 WeakPolarHBondContact O-CG 3.39Å; E471-M475 PolarHBondContact O-N 3.15Å; I473-M475 PolarHBondContact O-N 2.95Å; M475-I478 WeakPolarHBondContact O-CG2 3.45Å; M475-I478 HydrophobicContact SD-CG2 4.5Å; M475-N479 WeakPolarHBondContact O-CB 3.26Å; M475-N479 PolarHBondContact O-N 3.43Å; M475-N479 PolarHBondContact O-ND2 2.84Å
476	A	79.9	Confident	77	Confident	47 Å²	47	72.9 Å²	72.9	39%	0.388	36%	0.361	S	S	.	.	H	α-helix	trans	-71	-41.9	175.6	0	0	0	0	0	112.1	T472 I473 Y474 K480	T472-A476 PolarHBondContact O-N 3.11Å; I473-A476 PolarHBondContact O-N 3.45Å; Y474-A476 VanDerWaalsContact C-N 3.31Å; Y474-A476 PolarHBondContact O-N 2.96Å; A476-K480 WeakPolarHBondContact O-CG 3.3Å; A476-K480 PolarHBondContact O-N 3.23Å; A476-K480 VanDerWaalsContact O-N 3.16Å
477	T	81.8	Confident	78.2	Confident	29 Å²	29	66.9 Å²	66.9	18%	0.178	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-47.8	-179.4	-63.3	0	0	0	0	111.5	I473 Y474 N479 K480 A481 F556	I473-T477 WeakPolarHBondContact O-CB 3.33Å; I473-T477 PolarHBondContact O-N 3.3Å; I473-T477 PolarHBondContact O-OG1 3.12Å; Y474-T477 PolarHBondContact O-N 3.31Å; T477-N479 VanDerWaalsContact C-N 3.31Å; T477-N479 PolarHBondContact O-N 3.03Å; T477-K480 PolarHBondContact O-N 3.39Å; T477-K480 VanDerWaalsContact O-N 3.15Å; T477-A481 WeakPolarHBondContact O-CB 3.24Å; T477-A481 PolarHBondContact O-N 3.27Å; T477-F556 HydrophobicContact CG2-CE1 3.68Å
478	I	84.7	Confident	79.8	Confident	9 Å²	9	62 Å²	62	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-38.3	178.1	-165.8	164.4	0	0	0	111.4	I439 Y474 M475 K480 A481 L482	I439-I478 HydrophobicContact CD1-CG2 3.84Å; I439-I478 HydrophobicContact CG2-CD1 3.88Å; I439-I478 HydrophobicContact CG2-CG1 4.17Å; Y474-I478 HydrophobicContact CE2-CB 4.17Å; Y474-I478 HydrophobicContact CE2-CD1 3.86Å; Y474-I478 WeakPolarHBondContact O-CB 3.34Å; Y474-I478 VanDerWaalsContact O-CG2 3.27Å; Y474-I478 WeakPolarHBondContact O-CG2 3.47Å; Y474-I478 PolarHBondContact O-N 3.36Å; Y474-I478 WeakPolarHBondContact OH-CD1 3.4Å; M475-I478 WeakPolarHBondContact O-CG2 3.45Å; M475-I478 HydrophobicContact SD-CG2 4.5Å; I478-K480 VanDerWaalsContact C-N 3.34Å; I478-K480 PolarHBondContact O-N 3.45Å; I478-A481 PolarHBondContact O-N 3.06Å; I478-L482 WeakPolarHBondContact O-CB 3.01Å; I478-L482 PolarHBondContact O-N 2.88Å
479	N	85.4	Confident	81.5	Confident	48 Å²	48	58.8 Å²	58.8	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-36.4	176	-87.2	-57.7	0	0	0	112.5	R442 M475 T477 K483	R442-N479 PolarHBondContact NH1-OD1 3.04Å; R442-N479 VanDerWaalsContact NH1-OD1 3.13Å; M475-N479 WeakPolarHBondContact O-CB 3.26Å; M475-N479 PolarHBondContact O-N 3.43Å; M475-N479 PolarHBondContact O-ND2 2.84Å; T477-N479 VanDerWaalsContact C-N 3.31Å; T477-N479 PolarHBondContact O-N 3.03Å; N479-K483 WeakPolarHBondContact O-CB 3.2Å; N479-K483 VanDerWaalsContact O-CG 3.26Å; N479-K483 WeakPolarHBondContact O-CG 2.88Å; N479-K483 PolarHBondContact O-N 2.92Å; N479-K483 VanDerWaalsContact O-N 3.09Å
480	K	86.4	Confident	83.3	Confident	142 Å²	142	54 Å²	54	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-68.2	-43.6	174.1	-72.5	171.2	-177.3	175.1	0	111.4	A476 T477 I478 L484	A476-K480 WeakPolarHBondContact O-CG 3.3Å; A476-K480 PolarHBondContact O-N 3.23Å; A476-K480 VanDerWaalsContact O-N 3.16Å; T477-K480 PolarHBondContact O-N 3.39Å; T477-K480 VanDerWaalsContact O-N 3.15Å; I478-K480 VanDerWaalsContact C-N 3.34Å; I478-K480 PolarHBondContact O-N 3.45Å; K480-L484 PolarHBondContact O-N 3.09Å
481	A	87	Confident	84.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-48.6	176.5	0	0	0	0	0	111.5	F464 T477 I478 K483 L484 L485 F556	F464-A481 HydrophobicContact CD1-CB 3.53Å; F464-A481 HydrophobicContact CE1-CB 3.54Å; F464-A481 HydrophobicContact CG-CB 4.43Å; F464-A481 HydrophobicContact CZ-CB 4.43Å; T477-A481 WeakPolarHBondContact O-CB 3.24Å; T477-A481 PolarHBondContact O-N 3.27Å; I478-A481 PolarHBondContact O-N 3.06Å; A481-K483 PolarHBondContact O-N 2.82Å; A481-L484 WeakPolarHBondContact O-CB 3.44Å; A481-L484 PolarHBondContact O-N 3.43Å; A481-L484 VanDerWaalsContact O-N 3.12Å; A481-L485 PolarHBondContact O-N 3.34Å; A481-F556 HydrophobicContact CB-CD1 4.13Å; A481-F556 HydrophobicContact CB-CD2 4.16Å; A481-F556 HydrophobicContact CB-CE1 3.66Å; A481-F556 HydrophobicContact CB-CE2 3.7Å; A481-F556 HydrophobicContact CB-CG 4.37Å; A481-F556 HydrophobicContact CB-CZ 3.43Å; A481-F556 VanDerWaalsContact CB-CZ 3.43Å
482	L	88.9	Confident	86.2	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-40.8	-178.1	-163	155.9	0	0	0	111	I439 R442 L443 I478 L484 L485 E486	I439-L482 HydrophobicContact CG2-CD1 3.69Å; R442-L482 HydrophobicContact CB-CD1 4.03Å; R442-L482 HydrophobicContact CB-CD2 3.65Å; R442-L482 HydrophobicContact CB-CG 4.49Å; R442-L482 VanDerWaalsContact CZ-CD2 3.44Å; R442-L482 VanDerWaalsContact NH2-CD2 3.33Å; L443-L482 HydrophobicContact CB-CD1 4.17Å; I478-L482 WeakPolarHBondContact O-CB 3.01Å; I478-L482 PolarHBondContact O-N 2.88Å; L482-L484 VanDerWaalsContact C-N 3.32Å; L482-L484 PolarHBondContact O-N 3.41Å; L482-L485 CarbonylContact O-C 3.54Å; L482-L485 PolarHBondContact O-N 3.3Å; L482-E486 HydrophobicContact CD2-CG 3.65Å; L482-E486 WeakPolarHBondContact CD2-OE1 3.39Å; L482-E486 WeakPolarHBondContact O-CB 3.29Å; L482-E486 WeakPolarHBondContact O-CG 3.08Å; L482-E486 PolarHBondContact O-N 3.04Å
483	K	90.2	Very high	87.5	Confident	118 Å²	118	46 Å²	46	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-40.8	173.1	-76.8	178.4	-177.1	-172.4	0	112.7	N479 A481 H487	N479-K483 WeakPolarHBondContact O-CB 3.2Å; N479-K483 VanDerWaalsContact O-CG 3.26Å; N479-K483 WeakPolarHBondContact O-CG 2.88Å; N479-K483 PolarHBondContact O-N 2.92Å; N479-K483 VanDerWaalsContact O-N 3.09Å; A481-K483 PolarHBondContact O-N 2.82Å; K483-H487 PolarHBondContact O-N 2.9Å; K483-H487 VanDerWaalsContact O-N 3.15Å; K483-H487 PolarHBondContact O-ND1 2.83Å; K483-H487 VanDerWaalsContact O-ND1 3.1Å
484	L	90.8	Very high	88.6	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-39	176.3	-74.8	167.9	0	0	0	111.6	K480 A481 L482 H487 A488 L552 K555 F556	K480-L484 PolarHBondContact O-N 3.09Å; A481-L484 WeakPolarHBondContact O-CB 3.44Å; A481-L484 PolarHBondContact O-N 3.43Å; A481-L484 VanDerWaalsContact O-N 3.12Å; L482-L484 VanDerWaalsContact C-N 3.32Å; L482-L484 PolarHBondContact O-N 3.41Å; L484-H487 PolarHBondContact O-N 2.99Å; L484-A488 WeakPolarHBondContact O-CB 3.17Å; L484-A488 PolarHBondContact O-N 3.13Å; L484-L552 HydrophobicContact CB-CD2 3.84Å; L484-L552 HydrophobicContact CB-CG 4.42Å; L484-K555 HydrophobicContact CD1-CD 4.02Å; L484-F556 HydrophobicContact CD1-CE2 3.98Å
485	L	90.7	Very high	89.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-36.8	177.4	-163	69.7	0	0	0	112.1	L443 V446 L450 F464 A481 L482 A488 A489 L552 Y558 L560	L443-L485 HydrophobicContact CD1-CD2 4.29Å; V446-L485 HydrophobicContact CG1-CB 4.4Å; V446-L485 HydrophobicContact CG1-CD2 3.53Å; V446-L485 HydrophobicContact CG1-CG 3.56Å; L450-L485 HydrophobicContact CD1-CD1 4.25Å; F464-L485 HydrophobicContact CE2-CD2 4.25Å; A481-L485 PolarHBondContact O-N 3.34Å; L482-L485 CarbonylContact O-C 3.54Å; L482-L485 PolarHBondContact O-N 3.3Å; L485-A488 PolarHBondContact O-N 3.2Å; L485-A489 VanDerWaalsContact O-CB 3.28Å; L485-A489 WeakPolarHBondContact O-CB 3.16Å; L485-A489 PolarHBondContact O-N 3.5Å; L485-L552 HydrophobicContact CD1-CD1 4.19Å; L485-Y558 HydrophobicContact CD1-CD1 4.38Å; L485-Y558 HydrophobicContact CD1-CE1 3.77Å; L485-L560 HydrophobicContact CD1-CD1 4.36Å
486	E	92.8	Very high	90.4	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.262	21%	0.212	S	C	.	.	H	α-helix	trans	-60.2	-48.5	172.5	-78.5	171.4	161.4	0	0	111.3	R442 V446 L482 A489 E490	R442-E486 IonicContact CZ-OE1 2.82Å; R442-E486 VanDerWaalsContact CZ-OE1 3.3Å; R442-E486 IonicContact CZ-OE2 3.76Å; R442-E486 IonicContact NE-OE1 2.84Å; R442-E486 PolarHBondContact NE-OE1 3.25Å; R442-E486 IonicContact NE-OE2 3.26Å; R442-E486 IonicContact NH2-OE1 2.65Å; R442-E486 PolarHBondContact NH2-OE1 3Å; R442-E486 IonicContact NH2-OE2 2.84Å; R442-E486 PolarHBondContact NH2-OE2 3.3Å; V446-E486 HydrophobicContact CG2-CB 4.36Å; V446-E486 HydrophobicContact CG2-CG 3.58Å; L482-E486 HydrophobicContact CD2-CG 3.65Å; L482-E486 WeakPolarHBondContact CD2-OE1 3.39Å; L482-E486 WeakPolarHBondContact O-CB 3.29Å; L482-E486 WeakPolarHBondContact O-CG 3.08Å; L482-E486 PolarHBondContact O-N 3.04Å; E486-A489 PolarHBondContact O-N 3.02Å; E486-E490 PolarHBondContact O-N 2.83Å
487	H	93.6	Very high	91.1	Very high	88 Å²	88	48 Å²	48	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-62	-44.5	175.3	-64.2	142.7	0	0	0	111.7	K483 L484 A489 E490 Y491	K483-H487 PolarHBondContact O-N 2.9Å; K483-H487 VanDerWaalsContact O-N 3.15Å; K483-H487 PolarHBondContact O-ND1 2.83Å; K483-H487 VanDerWaalsContact O-ND1 3.1Å; L484-H487 PolarHBondContact O-N 2.99Å; H487-A489 VanDerWaalsContact C-N 3.34Å; H487-A489 PolarHBondContact O-N 3.31Å; H487-E490 PolarHBondContact O-N 3.5Å; H487-Y491 HydrophobicContact CB-CE2 4.05Å; H487-Y491 WeakPolarHBondContact O-CD2 3.49Å; H487-Y491 VanDerWaalsContact O-CG 3.23Å; H487-Y491 PolarHBondContact O-N 3.29Å
488	A	93	Very high	91.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-45.4	177.1	0	0	0	0	0	111.3	L484 L485 E490 Y491 V492 L552 L560	L484-A488 WeakPolarHBondContact O-CB 3.17Å; L484-A488 PolarHBondContact O-N 3.13Å; L485-A488 PolarHBondContact O-N 3.2Å; A488-E490 PolarHBondContact O-N 2.88Å; A488-Y491 PolarHBondContact O-N 2.82Å; A488-V492 WeakPolarHBondContact O-CB 3.49Å; A488-V492 WeakPolarHBondContact O-CG2 3.3Å; A488-V492 PolarHBondContact O-N 2.65Å; A488-L552 HydrophobicContact CB-CD1 4.12Å; A488-L560 HydrophobicContact CB-CD1 4.19Å; A488-L560 HydrophobicContact CB-CD2 4.3Å
489	A	93.4	Very high	92	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-40.1	177.8	0	0	0	0	0	112.5	V446 K449 L450 L485 E486 H487 V492 E493	V446-A489 HydrophobicContact CG1-CB 4.08Å; K449-A489 HydrophobicContact CB-CB 4.23Å; K449-A489 HydrophobicContact CD-CB 4.4Å; L450-A489 HydrophobicContact CD1-CB 4.41Å; L450-A489 HydrophobicContact CD2-CB 4.14Å; L450-A489 HydrophobicContact CG-CB 3.99Å; L485-A489 VanDerWaalsContact O-CB 3.28Å; L485-A489 WeakPolarHBondContact O-CB 3.16Å; L485-A489 PolarHBondContact O-N 3.5Å; E486-A489 PolarHBondContact O-N 3.02Å; H487-A489 VanDerWaalsContact C-N 3.34Å; H487-A489 PolarHBondContact O-N 3.31Å; A489-V492 PolarHBondContact O-N 2.87Å; A489-E493 VanDerWaalsContact O-CB 3.24Å; A489-E493 WeakPolarHBondContact O-CB 3.45Å; A489-E493 PolarHBondContact O-N 3.11Å
490	E	94.6	Very high	92.3	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-43.8	174.4	-172	-174.3	164.1	0	0	111.7	E486 H487 A488 R494	E486-E490 PolarHBondContact O-N 2.83Å; H487-E490 PolarHBondContact O-N 3.5Å; A488-E490 PolarHBondContact O-N 2.88Å; E490-R494 VanDerWaalsContact O-CB 3.29Å; E490-R494 WeakPolarHBondContact O-CB 3.49Å; E490-R494 PolarHBondContact O-N 3.22Å
491	Y	94.8	Very high	92.6	Very high	56 Å²	56	52.8 Å²	52.8	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-40.9	177.8	-61.1	-38.5	0	0	0	112.5	H487 A488 R494 R495 L541 L544 I545 T548	H487-Y491 HydrophobicContact CB-CE2 4.05Å; H487-Y491 WeakPolarHBondContact O-CD2 3.49Å; H487-Y491 VanDerWaalsContact O-CG 3.23Å; H487-Y491 PolarHBondContact O-N 3.29Å; A488-Y491 PolarHBondContact O-N 2.82Å; Y491-R494 PolarHBondContact O-N 3.29Å; Y491-R495 WeakPolarHBondContact O-CB 3.39Å; Y491-R495 PolarHBondContact O-N 2.96Å; Y491-L541 HydrophobicContact CD1-CD2 3.99Å; Y491-L544 HydrophobicContact CD2-CB 4.26Å; Y491-L544 HydrophobicContact CE1-CD1 4.11Å; Y491-L544 HydrophobicContact CE2-CB 4.21Å; Y491-I545 VanDerWaalsContact CB-CG1 3.49Å; Y491-I545 HydrophobicContact CG-CG1 4.42Å; Y491-T548 HydrophobicContact CD2-CG2 4.18Å; Y491-T548 HydrophobicContact CE2-CG2 3.83Å
492	V	93.7	Very high	92.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-54	174.8	169.1	0	0	0	0	110	L450 A488 A489 R494 R495 E496 L560 F562 Y567	L450-V492 HydrophobicContact CD2-CB 4.11Å; L450-V492 HydrophobicContact CD2-CG1 4Å; L450-V492 HydrophobicContact CD2-CG2 4.15Å; A488-V492 WeakPolarHBondContact O-CB 3.49Å; A488-V492 WeakPolarHBondContact O-CG2 3.3Å; A488-V492 PolarHBondContact O-N 2.65Å; A489-V492 PolarHBondContact O-N 2.87Å; V492-R494 VanDerWaalsContact C-N 3.28Å; V492-R494 PolarHBondContact O-N 2.87Å; V492-R495 WeakPolarHBondContact O-CB 3.33Å; V492-R495 PolarHBondContact O-N 3.07Å; V492-E496 HydrophobicContact CG1-CG 4.37Å; V492-E496 WeakPolarHBondContact O-CG 3.34Å; V492-E496 PolarHBondContact O-N 3.13Å; V492-L560 HydrophobicContact CG2-CD2 4.1Å; V492-F562 HydrophobicContact CG1-CD2 3.63Å; V492-F562 HydrophobicContact CG1-CE2 4.05Å; V492-F562 HydrophobicContact CG1-CG 4.17Å; V492-Y567 HydrophobicContact CB-CE1 4.43Å; V492-Y567 HydrophobicContact CB-CE2 4.46Å; V492-Y567 HydrophobicContact CG1-CD2 4.26Å; V492-Y567 HydrophobicContact CG1-CE1 4.48Å; V492-Y567 HydrophobicContact CG1-CE2 3.67Å; V492-Y567 HydrophobicContact CG2-CD1 3.86Å; V492-Y567 HydrophobicContact CG2-CD2 4.43Å; V492-Y567 HydrophobicContact CG2-CE1 3.63Å; V492-Y567 HydrophobicContact CG2-CE2 4.21Å; V492-Y567 HydrophobicContact CG2-CG 4.24Å
493	E	94	Very high	92.8	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.28	25%	0.245	S	C	.	.	H	α-helix	trans	-53.5	-46.5	177.9	176	178	-150.8	0	0	111.5	K449 A489 R495 E496 M497	K449-E493 WeakPolarHBondContact CD-OE2 3.41Å; K449-E493 VanDerWaalsContact CE-OE2 3.3Å; K449-E493 WeakPolarHBondContact CE-OE2 3.33Å; K449-E493 IonicContact NZ-OE2 3.65Å; K449-E493 PolarHBondContact NZ-OE2 3.48Å; A489-E493 VanDerWaalsContact O-CB 3.24Å; A489-E493 WeakPolarHBondContact O-CB 3.45Å; A489-E493 PolarHBondContact O-N 3.11Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-R495 PolarHBondContact O-N 3.27Å; E493-E496 PolarHBondContact O-N 3.32Å; E493-M497 HydrophobicContact CG-CE 3.65Å; E493-M497 WeakPolarHBondContact O-CG 3.37Å; E493-M497 PolarHBondContact O-N 3.48Å
494	R	94.8	Very high	92.8	Very high	145 Å²	145	54.9 Å²	54.9	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-36	179.2	-158.6	175	-166.3	130	0.8	112.5	E490 Y491 V492 L498 L541	E490-R494 VanDerWaalsContact O-CB 3.29Å; E490-R494 WeakPolarHBondContact O-CB 3.49Å; E490-R494 PolarHBondContact O-N 3.22Å; Y491-R494 PolarHBondContact O-N 3.29Å; V492-R494 VanDerWaalsContact C-N 3.28Å; V492-R494 PolarHBondContact O-N 2.87Å; R494-L498 WeakPolarHBondContact O-CG 3.31Å; R494-L498 PolarHBondContact O-N 3.09Å; R494-L498 VanDerWaalsContact O-N 3.11Å; R494-L541 HydrophobicContact CB-CD1 4.29Å; R494-L541 HydrophobicContact CG-CD1 4.15Å
495	R	93.9	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-43.8	175.7	-179.2	171.3	169.8	-67.8	-4.3	111.1	Y491 V492 E493 M497 L498 L499 F538 L541 E542 I545 Y567 M571 D574	Y491-R495 WeakPolarHBondContact O-CB 3.39Å; Y491-R495 PolarHBondContact O-N 2.96Å; V492-R495 WeakPolarHBondContact O-CB 3.33Å; V492-R495 PolarHBondContact O-N 3.07Å; E493-R495 VanDerWaalsContact C-N 3.34Å; E493-R495 PolarHBondContact O-N 3.27Å; R495-M497 VanDerWaalsContact C-N 3.32Å; R495-M497 PolarHBondContact O-N 3.37Å; R495-L498 WeakPolarHBondContact O-CB 3.17Å; R495-L498 PolarHBondContact O-N 3.07Å; R495-L498 VanDerWaalsContact O-N 3.09Å; R495-L499 PolarHBondContact O-N 2.88Å; R495-F538 HydrophobicContact CG-CD2 4.21Å; R495-F538 HydrophobicContact CG-CE2 3.66Å; R495-F538 HydrophobicContact CG-CZ 4.1Å; R495-F538 VanDerWaalsContact CZ-CZ 3.41Å; R495-F538 VanDerWaalsContact NE-CZ 3.33Å; R495-L541 HydrophobicContact CB-CD1 4.49Å; R495-E542 IonicContact NE-OE1 2.73Å; R495-E542 IonicContact NH2-OE1 3.6Å; R495-I545 HydrophobicContact CB-CD1 4.04Å; R495-I545 HydrophobicContact CG-CD1 4.5Å; R495-Y567 VanDerWaalsContact CD-OH 3.29Å; R495-Y567 WeakPolarHBondContact CD-OH 3.3Å; R495-Y567 PolarHBondContact NH1-OH 3.22Å; R495-M571 PolarHBondContact NH2-O 3.36Å; R495-D574 IonicContact CZ-OD2 3.62Å; R495-D574 IonicContact NH1-OD2 2.84Å; R495-D574 PolarHBondContact NH1-OD2 3.4Å; R495-D574 IonicContact NH2-OD2 3.88Å; R495-D574 PolarHBondContact NH2-OD2 2.88Å
496	E	93.8	Very high	92.5	Very high	39 Å²	39	56.4 Å²	56.4	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-38.1	175.4	-64.2	-57.8	141.7	0	0	111.7	V492 E493 L498 L499 Y500 F562 Y567 K570	V492-E496 HydrophobicContact CG1-CG 4.37Å; V492-E496 WeakPolarHBondContact O-CG 3.34Å; V492-E496 PolarHBondContact O-N 3.13Å; E493-E496 PolarHBondContact O-N 3.32Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 2.85Å; E496-L499 WeakPolarHBondContact O-CB 3.46Å; E496-L499 PolarHBondContact O-N 3.11Å; E496-Y500 PolarHBondContact O-N 2.82Å; E496-F562 HydrophobicContact CG-CE1 4.1Å; E496-F562 HydrophobicContact CG-CE2 4.28Å; E496-F562 HydrophobicContact CG-CZ 3.78Å; E496-Y567 WeakPolarHBondContact OE1-CE2 3.41Å; E496-Y567 PolarHBondContact OE1-OH 3.38Å; E496-K570 VanDerWaalsContact CD-NZ 3.34Å; E496-K570 IonicContact OE1-NZ 3.91Å; E496-K570 PolarHBondContact OE1-NZ 3.47Å; E496-K570 IonicContact OE2-NZ 2.75Å; E496-K570 PolarHBondContact OE2-NZ 3.4Å
497	M	93.9	Very high	92.2	Very high	104 Å²	104	55.6 Å²	55.6	51%	0.512	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-36.8	171.9	-72.4	179.7	-172.2	0	0	112.9	E493 R495 K501	E493-M497 HydrophobicContact CG-CE 3.65Å; E493-M497 WeakPolarHBondContact O-CG 3.37Å; E493-M497 PolarHBondContact O-N 3.48Å; R495-M497 VanDerWaalsContact C-N 3.32Å; R495-M497 PolarHBondContact O-N 3.37Å; M497-K501 WeakPolarHBondContact O-CG 3.43Å; M497-K501 PolarHBondContact O-N 3.11Å; M497-K501 VanDerWaalsContact O-N 3.13Å
498	L	92.6	Very high	91.7	Very high	15 Å²	15	55 Å²	55	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-71	-36.7	174.2	-72.2	178.1	0	0	0	111.9	R494 R495 E496 Y500 K501 L502 I534 K537 F538 L541	R494-L498 WeakPolarHBondContact O-CG 3.31Å; R494-L498 PolarHBondContact O-N 3.09Å; R494-L498 VanDerWaalsContact O-N 3.11Å; R495-L498 WeakPolarHBondContact O-CB 3.17Å; R495-L498 PolarHBondContact O-N 3.07Å; R495-L498 VanDerWaalsContact O-N 3.09Å; E496-L498 VanDerWaalsContact C-N 3.33Å; E496-L498 PolarHBondContact O-N 2.85Å; L498-Y500 VanDerWaalsContact C-N 3.31Å; L498-K501 HydrophobicContact CD2-CD 4.47Å; L498-K501 PolarHBondContact O-N 2.97Å; L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 PolarHBondContact O-N 3.45Å; L498-I534 HydrophobicContact CB-CG2 4.46Å; L498-K537 HydrophobicContact CD1-CB 3.79Å; L498-K537 HydrophobicContact CD2-CD 4.42Å; L498-F538 HydrophobicContact CB-CD2 4.36Å; L498-L541 HydrophobicContact CD1-CD1 3.51Å
499	L	92.9	Very high	91.2	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175	-171.8	65.3	0	0	0	110.7	R495 E496 K501 L502 A503 D574 L578	R495-L499 PolarHBondContact O-N 2.88Å; E496-L499 WeakPolarHBondContact O-CB 3.46Å; E496-L499 PolarHBondContact O-N 3.11Å; L499-K501 PolarHBondContact O-N 3.31Å; L499-L502 WeakPolarHBondContact O-CB 3.44Å; L499-L502 PolarHBondContact O-N 3.27Å; L499-A503 WeakPolarHBondContact O-CB 3.28Å; L499-A503 PolarHBondContact O-N 2.77Å; L499-D574 HydrophobicContact CD1-CB 4.32Å; L499-D574 HydrophobicContact CD2-CB 4.18Å; L499-L578 HydrophobicContact CD1-CD2 4.17Å
500	Y	92.1	Very high	90.4	Very high	171 Å²	171	60.1 Å²	60.1	67%	0.671	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-42.3	172.6	179.5	-101.9	0	0	0	112.8	E496 L498 L502 A503 K504	E496-Y500 PolarHBondContact O-N 2.82Å; L498-Y500 VanDerWaalsContact C-N 3.31Å; Y500-L502 VanDerWaalsContact C-N 3.34Å; Y500-L502 PolarHBondContact O-N 3.21Å; Y500-A503 WeakPolarHBondContact O-CB 3.34Å; Y500-A503 PolarHBondContact O-N 3.27Å; Y500-K504 PolarHBondContact O-N 2.99Å
501	K	92.2	Very high	89.5	Confident	122 Å²	122	61 Å²	61	53%	0.53	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175.2	-73.3	177.4	-176.8	-177.5	0	112.2	M497 L498 L499 K504 I505 I534	M497-K501 WeakPolarHBondContact O-CG 3.43Å; M497-K501 PolarHBondContact O-N 3.11Å; M497-K501 VanDerWaalsContact O-N 3.13Å; L498-K501 HydrophobicContact CD2-CD 4.47Å; L498-K501 PolarHBondContact O-N 2.97Å; L499-K501 PolarHBondContact O-N 3.31Å; K501-K504 PolarHBondContact O-N 2.84Å; K501-I505 PolarHBondContact O-N 3.18Å; K501-I505 VanDerWaalsContact O-N 3.12Å; K501-I534 HydrophobicContact CB-CD1 4.02Å
502	L	90.7	Very high	88.5	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-47.1	174.6	-175.8	62.9	0	0	0	110.3	L498 L499 Y500 K504 I505 E506 R531 I534 L578	L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 PolarHBondContact O-N 3.45Å; L499-L502 WeakPolarHBondContact O-CB 3.44Å; L499-L502 PolarHBondContact O-N 3.27Å; Y500-L502 VanDerWaalsContact C-N 3.34Å; Y500-L502 PolarHBondContact O-N 3.21Å; L502-K504 PolarHBondContact O-N 2.95Å; L502-I505 PolarHBondContact O-N 3.34Å; L502-I505 VanDerWaalsContact O-N 3.14Å; L502-E506 HydrophobicContact CD1-CG 4.43Å; L502-E506 HydrophobicContact CG-CG 4.41Å; L502-E506 WeakPolarHBondContact O-CG 3.5Å; L502-E506 PolarHBondContact O-N 3.03Å; L502-R531 HydrophobicContact CD1-CG 4.41Å; L502-I534 HydrophobicContact CB-CG2 4.4Å; L502-L578 HydrophobicContact CB-CD2 4.28Å; L502-L578 HydrophobicContact CD2-CD2 3.81Å; L502-L578 HydrophobicContact CG-CD2 3.84Å
503	A	90.3	Very high	87.4	Confident	24 Å²	24	63.4 Å²	63.4	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-55.9	-39.5	176.3	0	0	0	0	0	112.7	L499 Y500 A507 L578	L499-A503 WeakPolarHBondContact O-CB 3.28Å; L499-A503 PolarHBondContact O-N 2.77Å; Y500-A503 WeakPolarHBondContact O-CB 3.34Å; Y500-A503 PolarHBondContact O-N 3.27Å; A503-A507 WeakPolarHBondContact O-CB 3.48Å; A503-A507 PolarHBondContact O-N 3.42Å; A503-L578 HydrophobicContact CB-CD1 3.47Å; A503-L578 VanDerWaalsContact CB-CD1 3.47Å; A503-L578 HydrophobicContact CB-CD2 4.38Å
504	K	90.2	Very high	86.2	Confident	121 Å²	121	66.1 Å²	66.1	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-46.4	176.2	-175.1	175.5	173.7	177.8	0	112.2	Y500 K501 L502 E506 A507 E508	Y500-K504 PolarHBondContact O-N 2.99Å; K501-K504 PolarHBondContact O-N 2.84Å; L502-K504 PolarHBondContact O-N 2.95Å; K504-E506 VanDerWaalsContact C-N 3.34Å; K504-E506 PolarHBondContact O-N 3.48Å; K504-A507 PolarHBondContact O-N 2.81Å; K504-E508 WeakPolarHBondContact CE-OE1 3.47Å; K504-E508 WeakPolarHBondContact O-CG 3.34Å; K504-E508 PolarHBondContact O-N 2.85Å
505	I	88.5	Confident	84.7	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-42.1	178	-68.7	158.1	0	0	0	110.9	K501 L502 A507 E508 H509 C527 E530 R531 I534	K501-I505 PolarHBondContact O-N 3.18Å; K501-I505 VanDerWaalsContact O-N 3.12Å; L502-I505 PolarHBondContact O-N 3.34Å; L502-I505 VanDerWaalsContact O-N 3.14Å; I505-A507 VanDerWaalsContact C-N 3.34Å; I505-A507 PolarHBondContact O-N 2.77Å; I505-E508 PolarHBondContact O-N 2.97Å; I505-H509 WeakPolarHBondContact O-CB 3.27Å; I505-H509 PolarHBondContact O-N 3.14Å; I505-C527 HydrophobicContact CG2-CB 4.3Å; I505-E530 HydrophobicContact CD1-CB 3.89Å; I505-R531 HydrophobicContact CG2-CG 4.06Å; I505-I534 HydrophobicContact CD1-CD1 3.25Å; I505-I534 HydrophobicContact CD1-CG1 4.5Å
506	E	87	Confident	83.1	Confident	41 Å²	41	74.6 Å²	74.6	19%	0.192	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-38.5	177.2	-65.4	-56.8	150.5	0	0	112.1	L502 K504 H509 M510 R531 L582	L502-E506 HydrophobicContact CD1-CG 4.43Å; L502-E506 HydrophobicContact CG-CG 4.41Å; L502-E506 WeakPolarHBondContact O-CG 3.5Å; L502-E506 PolarHBondContact O-N 3.03Å; K504-E506 VanDerWaalsContact C-N 3.34Å; K504-E506 PolarHBondContact O-N 3.48Å; E506-H509 PolarHBondContact O-N 3.46Å; E506-M510 WeakPolarHBondContact O-CB 3.39Å; E506-M510 WeakPolarHBondContact O-CG 3.36Å; E506-M510 PolarHBondContact O-N 2.85Å; E506-R531 IonicContact OE1-CZ 3.45Å; E506-R531 IonicContact OE1-NE 3.04Å; E506-R531 PolarHBondContact OE1-NE 3.36Å; E506-R531 IonicContact OE1-NH2 3.42Å; E506-R531 PolarHBondContact OE1-NH2 2.96Å; E506-R531 IonicContact OE2-CZ 3.51Å; E506-R531 IonicContact OE2-NE 3.3Å; E506-R531 IonicContact OE2-NH2 2.69Å; E506-R531 PolarHBondContact OE2-NH2 3.32Å; E506-L582 HydrophobicContact CB-CD1 3.35Å; E506-L582 HydrophobicContact CG-CD1 4.09Å
507	A	85.2	Confident	81.4	Confident	38 Å²	38	76 Å²	76	31%	0.314	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-43	174.7	0	0	0	0	0	112.1	A503 K504 I505 M510 I511 L582	A503-A507 WeakPolarHBondContact O-CB 3.48Å; A503-A507 PolarHBondContact O-N 3.42Å; K504-A507 PolarHBondContact O-N 2.81Å; I505-A507 VanDerWaalsContact C-N 3.34Å; I505-A507 PolarHBondContact O-N 2.77Å; A507-M510 PolarHBondContact O-N 2.84Å; A507-I511 WeakPolarHBondContact O-CG1 3.39Å; A507-I511 PolarHBondContact O-N 2.96Å; A507-L582 HydrophobicContact CB-CD2 4.49Å
508	E	83.9	Confident	79.7	Confident	76 Å²	76	79.6 Å²	79.6	36%	0.355	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-44.2	175.3	-73.7	173.3	-172.3	0	0	111.3	K504 I505 M510 I511 Q512	K504-E508 WeakPolarHBondContact CE-OE1 3.47Å; K504-E508 WeakPolarHBondContact O-CG 3.34Å; K504-E508 PolarHBondContact O-N 2.85Å; I505-E508 PolarHBondContact O-N 2.97Å; E508-M510 PolarHBondContact O-N 2.98Å; E508-I511 PolarHBondContact O-N 3.45Å; E508-Q512 WeakPolarHBondContact O-CG 3.2Å; E508-Q512 PolarHBondContact O-N 3.12Å
509	H	82.2	Confident	78.1	Confident	39 Å²	39	83.1 Å²	83.1	18%	0.181	41%	0.409	C	S	.	.	H	α-helix	trans	-63.4	-39	175.9	-178.1	-78.8	0	0	0	112.3	I505 E506 S513 R531	I505-H509 WeakPolarHBondContact O-CB 3.27Å; I505-H509 PolarHBondContact O-N 3.14Å; E506-H509 PolarHBondContact O-N 3.46Å; H509-S513 WeakPolarHBondContact O-CB 3.44Å; H509-S513 PolarHBondContact O-N 3.25Å; H509-S513 PolarHBondContact O-OG 2.83Å; H509-R531 PolarHBondContact CD2-NH1 3.49Å; H509-R531 PolarHBondContact CD2-NH2 3.31Å; H509-R531 VanDerWaalsContact CD2-NH2 3.29Å; H509-R531 PolarHBondContact ND1-NH2 3.26Å; H509-R531 PolarHBondContact NE2-NH1 2.92Å
510	M	77.6	Confident	76.8	Confident	69 Å²	69	84.3 Å²	84.3	34%	0.34	42%	0.415	S	S	.	.	H	α-helix	trans	-65.5	-39.6	175.9	-71.3	-101.5	82.5	0	0	112	E506 A507 E508 S513	E506-M510 WeakPolarHBondContact O-CB 3.39Å; E506-M510 WeakPolarHBondContact O-CG 3.36Å; E506-M510 PolarHBondContact O-N 2.85Å; A507-M510 PolarHBondContact O-N 2.84Å; E508-M510 PolarHBondContact O-N 2.98Å; M510-S513 PolarHBondContact O-OG 3.37Å
511	I	75.6	Confident	75.9	Confident	105 Å²	105	81.8 Å²	81.8	54%	0.538	41%	0.413	S	S	.	.	H	α-helix	trans	-65.2	-49.1	176.2	-67	163.8	0	0	0	109.9	A507 E508 S513 K514	A507-I511 WeakPolarHBondContact O-CG1 3.39Å; A507-I511 PolarHBondContact O-N 2.96Å; E508-I511 PolarHBondContact O-N 3.45Å; I511-S513 VanDerWaalsContact C-N 3.33Å; I511-S513 PolarHBondContact O-N 3.47Å; I511-K514 WeakPolarHBondContact O-CB 3.47Å; I511-K514 PolarHBondContact O-N 3.18Å; I511-K514 VanDerWaalsContact O-N 3.1Å
512	Q	72.5	Confident	75.2	Confident	51 Å²	51	81.8 Å²	81.8	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-38.3	179.3	-72.1	176.4	5.9	0	0	112.5	E508 K514 D515 F523	E508-Q512 WeakPolarHBondContact O-CG 3.2Å; E508-Q512 PolarHBondContact O-N 3.12Å; Q512-K514 PolarHBondContact O-N 2.96Å; Q512-D515 CarbonylContact O-C 3.42Å; Q512-D515 PolarHBondContact O-N 3.01Å; Q512-D515 VanDerWaalsContact O-O 3.08Å; Q512-F523 VanDerWaalsContact OE1-CB 3.26Å
513	S	71.1	Confident	74.4	Confident	54 Å²	54	84.1 Å²	84.1	38%	0.378	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.2	177.1	68.4	0	0	0	0	114.7	H509 M510 I511	H509-S513 WeakPolarHBondContact O-CB 3.44Å; H509-S513 PolarHBondContact O-N 3.25Å; H509-S513 PolarHBondContact O-OG 2.83Å; M510-S513 PolarHBondContact O-OG 3.37Å; I511-S513 VanDerWaalsContact C-N 3.33Å; I511-S513 PolarHBondContact O-N 3.47Å
514	K	69.6	Low	73.9	Confident	118 Å²	118	88 Å²	88	51%	0.513	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-28.9	171.8	-65.9	-177.6	175.3	-169.4	0	112.6	I511 Q512 Y516	I511-K514 WeakPolarHBondContact O-CB 3.47Å; I511-K514 PolarHBondContact O-N 3.18Å; I511-K514 VanDerWaalsContact O-N 3.1Å; Q512-K514 PolarHBondContact O-N 2.96Å; K514-Y516 PolarHBondContact O-N 2.91Å
515	D	62.6	Low	73.6	Confident	107 Å²	107	87.5 Å²	87.5	57%	0.572	44%	0.441	S	S	*	.	S	Bend	trans	-94.3	85.9	179.8	-66.6	-20.1	0	0	0	108.6	Q512 S517	Q512-D515 CarbonylContact O-C 3.42Å; Q512-D515 PolarHBondContact O-N 3.01Å; Q512-D515 VanDerWaalsContact O-O 3.08Å; D515-S517 PolarHBondContact O-N 3.19Å
516	Y	60.4	Low	73.4	Confident	216 Å²	216	91.9 Å²	91.9	85%	0.847	46%	0.459	S	S	*	.			trans	-61.3	67	-178.4	-63	-83.6	0	0	0	113.8	K514	K514-Y516 PolarHBondContact O-N 2.91Å
517	S	58.5	Low	73.3	Confident	69 Å²	69	90.2 Å²	90.2	48%	0.483	45%	0.452	S	S	.	.			trans	-99.4	138.6	-176.8	-170.3	0	0	0	0	110.3	D515 N519 D520	D515-S517 PolarHBondContact O-N 3.19Å; S517-N519 PolarHBondContact O-N 2.95Å; S517-D520 WeakPolarHBondContact O-CB 3.49Å; S517-D520 PolarHBondContact O-N 3.38Å
518	L	57.5	Low	73.4	Confident	179 Å²	179	91.4 Å²	91.4	94%	0.937	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.5	177.6	-79	160.3	0	0	0	114.2	D520	L518-D520 PolarHBondContact O-N 3.06Å
519	N	59.8	Low	73.6	Confident	88 Å²	88	91.9 Å²	91.9	47%	0.471	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.6	175	-146.4	5.7	0	0	0	113.5	S517 N521 H522 F523	S517-N519 PolarHBondContact O-N 2.95Å; N519-N521 VanDerWaalsContact C-N 3.3Å; N519-N521 PolarHBondContact O-N 3.43Å; N519-H522 PolarHBondContact O-N 3.01Å; N519-F523 HydrophobicContact CB-CD2 4.14Å; N519-F523 HydrophobicContact CB-CE2 4.09Å; N519-F523 WeakPolarHBondContact ND2-CE2 3.45Å; N519-F523 VanDerWaalsContact O-CD2 3.31Å; N519-F523 WeakPolarHBondContact O-CD2 3.44Å; N519-F523 PolarHBondContact O-N 3.39Å
520	D	64.4	Low	74	Confident	46 Å²	46	92.9 Å²	92.9	25%	0.246	47%	0.468	C	S	.	.	H	α-helix	trans	-57.2	-37.9	-176.2	-81	-6.9	0	0	0	113.2	S517 L518 H522 F523 Q524	S517-D520 WeakPolarHBondContact O-CB 3.49Å; S517-D520 PolarHBondContact O-N 3.38Å; L518-D520 PolarHBondContact O-N 3.06Å; D520-H522 PolarHBondContact O-N 3.07Å; D520-F523 PolarHBondContact O-N 2.93Å; D520-Q524 WeakPolarHBondContact O-CB 3.41Å; D520-Q524 PolarHBondContact O-N 3.26Å
521	N	73.2	Confident	74.5	Confident	118 Å²	118	92.3 Å²	92.3	63%	0.631	46%	0.462	S	S	*	.	H	α-helix	trans	-60.9	-45.9	-178.2	-71	-11.6	0	0	0	111.7	N519 Q524 L525	N519-N521 VanDerWaalsContact C-N 3.3Å; N519-N521 PolarHBondContact O-N 3.43Å; N521-Q524 PolarHBondContact O-N 2.95Å; N521-L525 WeakPolarHBondContact O-CB 3.47Å; N521-L525 WeakPolarHBondContact O-CD1 3.28Å; N521-L525 WeakPolarHBondContact O-CG 2.85Å; N521-L525 PolarHBondContact O-N 3.34Å
522	H	77.6	Confident	75.3	Confident	122 Å²	122	92.2 Å²	92.2	57%	0.565	46%	0.458	S	S	*	.	H	α-helix	trans	-69	-40.9	-179	178.4	-88.1	0	0	0	111.5	N519 D520 K526	N519-H522 PolarHBondContact O-N 3.01Å; D520-H522 PolarHBondContact O-N 3.07Å; H522-K526 WeakPolarHBondContact O-CB 3.41Å; H522-K526 PolarHBondContact O-N 3.48Å
523	F	75.6	Confident	76.2	Confident	72 Å²	72	95.7 Å²	95.7	32%	0.316	47%	0.472	S	S	.	.	H	α-helix	trans	-67.2	-41.4	175.6	-77.8	-72.3	0	0	0	112.4	Q512 N519 D520 L525 K526 C527	Q512-F523 VanDerWaalsContact OE1-CB 3.26Å; N519-F523 HydrophobicContact CB-CD2 4.14Å; N519-F523 HydrophobicContact CB-CE2 4.09Å; N519-F523 WeakPolarHBondContact ND2-CE2 3.45Å; N519-F523 VanDerWaalsContact O-CD2 3.31Å; N519-F523 WeakPolarHBondContact O-CD2 3.44Å; N519-F523 PolarHBondContact O-N 3.39Å; D520-F523 PolarHBondContact O-N 2.93Å; F523-L525 VanDerWaalsContact C-N 3.34Å; F523-L525 PolarHBondContact O-N 3.18Å; F523-K526 CarbonylContact O-C 3.59Å; F523-K526 WeakPolarHBondContact O-CB 3.33Å; F523-K526 PolarHBondContact O-N 3.23Å; F523-K526 VanDerWaalsContact O-N 3.14Å; F523-C527 WeakPolarHBondContact O-CB 3.4Å; F523-C527 PolarHBondContact O-N 3.32Å; F523-C527 PolarHBondContact O-SG 3.17Å; F523-C527 VanDerWaalsContact O-SG 3.34Å
524	Q	79.7	Confident	77.2	Confident	105 Å²	105	94 Å²	94	49%	0.491	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-42	176.4	-172.1	174.8	36	0	0	111.5	D520 N521 C527 S528	D520-Q524 WeakPolarHBondContact O-CB 3.41Å; D520-Q524 PolarHBondContact O-N 3.26Å; N521-Q524 PolarHBondContact O-N 2.95Å; Q524-C527 PolarHBondContact O-N 2.98Å; Q524-S528 VanDerWaalsContact O-CB 3.24Å; Q524-S528 WeakPolarHBondContact O-CB 3.31Å; Q524-S528 PolarHBondContact O-N 3.04Å
525	L	83	Confident	78.2	Confident	112 Å²	112	92 Å²	92	59%	0.586	45%	0.451	S	S	*	.	H	α-helix	trans	-58.6	-47.7	171.1	-87.4	152.9	0	0	0	111.2	N521 F523 S528 D529	N521-L525 WeakPolarHBondContact O-CB 3.47Å; N521-L525 WeakPolarHBondContact O-CD1 3.28Å; N521-L525 WeakPolarHBondContact O-CG 2.85Å; N521-L525 PolarHBondContact O-N 3.34Å; F523-L525 VanDerWaalsContact C-N 3.34Å; F523-L525 PolarHBondContact O-N 3.18Å; L525-S528 WeakPolarHBondContact O-CB 3.48Å; L525-S528 PolarHBondContact O-N 2.81Å; L525-D529 PolarHBondContact O-N 3.11Å
526	K	84.8	Confident	79.6	Confident	104 Å²	104	92.2 Å²	92.2	45%	0.452	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-46.3	177.6	-173.2	-176.7	175.3	-170.8	0	112.3	H522 F523 S528 D529 E530	H522-K526 WeakPolarHBondContact O-CB 3.41Å; H522-K526 PolarHBondContact O-N 3.48Å; F523-K526 CarbonylContact O-C 3.59Å; F523-K526 WeakPolarHBondContact O-CB 3.33Å; F523-K526 PolarHBondContact O-N 3.23Å; F523-K526 VanDerWaalsContact O-N 3.14Å; K526-S528 VanDerWaalsContact C-N 3.33Å; K526-S528 PolarHBondContact O-N 2.87Å; K526-D529 PolarHBondContact O-N 3.21Å; K526-E530 VanDerWaalsContact CE-OE1 3.27Å; K526-E530 WeakPolarHBondContact CE-OE1 3.27Å; K526-E530 WeakPolarHBondContact O-CB 3.19Å; K526-E530 WeakPolarHBondContact O-CG 3.34Å; K526-E530 PolarHBondContact O-N 3.29Å
527	C	84.5	Confident	81.2	Confident	6 Å²	6	88 Å²	88	4%	0.041	43%	0.433	C	S	.	.	H	α-helix	trans	-62.7	-40.1	176.1	-69.9	0	0	0	0	111.5	I505 F523 Q524 E530 R531	I505-C527 HydrophobicContact CG2-CB 4.3Å; F523-C527 WeakPolarHBondContact O-CB 3.4Å; F523-C527 PolarHBondContact O-N 3.32Å; F523-C527 PolarHBondContact O-SG 3.17Å; F523-C527 VanDerWaalsContact O-SG 3.34Å; Q524-C527 PolarHBondContact O-N 2.98Å; C527-E530 PolarHBondContact O-N 3.28Å; C527-R531 WeakPolarHBondContact O-CB 3.34Å; C527-R531 VanDerWaalsContact O-CG 3.26Å; C527-R531 WeakPolarHBondContact O-CG 3.34Å; C527-R531 PolarHBondContact O-N 3.32Å
528	S	86.7	Confident	82.8	Confident	63 Å²	63	84.8 Å²	84.8	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-45.7	175.3	-174.7	0	0	0	0	111.7	Q524 L525 K526 E530 R531 F532	Q524-S528 VanDerWaalsContact O-CB 3.24Å; Q524-S528 WeakPolarHBondContact O-CB 3.31Å; Q524-S528 PolarHBondContact O-N 3.04Å; L525-S528 WeakPolarHBondContact O-CB 3.48Å; L525-S528 PolarHBondContact O-N 2.81Å; K526-S528 VanDerWaalsContact C-N 3.33Å; K526-S528 PolarHBondContact O-N 2.87Å; S528-E530 VanDerWaalsContact C-N 3.34Å; S528-E530 PolarHBondContact O-N 3.03Å; S528-R531 PolarHBondContact O-N 2.92Å; S528-F532 WeakPolarHBondContact O-CB 3.26Å; S528-F532 PolarHBondContact O-N 2.93Å
529	D	89.4	Confident	84.4	Confident	86 Å²	86	79.4 Å²	79.4	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-39.9	176.1	-80	-10.2	0	0	0	112.3	L525 K526 K533	L525-D529 PolarHBondContact O-N 3.11Å; K526-D529 PolarHBondContact O-N 3.21Å; D529-K533 WeakPolarHBondContact O-CB 3.24Å; D529-K533 WeakPolarHBondContact O-CD 3.4Å; D529-K533 WeakPolarHBondContact O-CG 3.34Å; D529-K533 PolarHBondContact O-N 3.02Å
530	E	89.7	Confident	86	Confident	60 Å²	60	82.4 Å²	82.4	28%	0.28	39%	0.391	S	S	.	.	H	α-helix	trans	-67.3	-44.2	176.2	-73.3	-179.7	-173.1	0	0	112.1	I505 K526 C527 S528 F532 K533 I534	I505-E530 HydrophobicContact CD1-CB 3.89Å; K526-E530 VanDerWaalsContact CE-OE1 3.27Å; K526-E530 WeakPolarHBondContact CE-OE1 3.27Å; K526-E530 WeakPolarHBondContact O-CB 3.19Å; K526-E530 WeakPolarHBondContact O-CG 3.34Å; K526-E530 PolarHBondContact O-N 3.29Å; C527-E530 PolarHBondContact O-N 3.28Å; S528-E530 VanDerWaalsContact C-N 3.34Å; S528-E530 PolarHBondContact O-N 3.03Å; E530-F532 VanDerWaalsContact C-N 3.35Å; E530-F532 PolarHBondContact O-N 2.96Å; E530-K533 PolarHBondContact O-N 3.47Å; E530-I534 WeakPolarHBondContact O-CG1 3.38Å; E530-I534 PolarHBondContact O-N 3.28Å
531	R	89.3	Confident	87.4	Confident	58 Å²	58	80.9 Å²	80.9	22%	0.219	38%	0.383	C	S	.	.	H	α-helix	trans	-55.3	-49.8	172.3	-77.5	171.7	175	147.7	0.9	110.8	L502 I505 E506 H509 C527 S528 K533 I534 E535	L502-R531 HydrophobicContact CD1-CG 4.41Å; I505-R531 HydrophobicContact CG2-CG 4.06Å; E506-R531 IonicContact OE1-CZ 3.45Å; E506-R531 IonicContact OE1-NE 3.04Å; E506-R531 PolarHBondContact OE1-NE 3.36Å; E506-R531 IonicContact OE1-NH2 3.42Å; E506-R531 PolarHBondContact OE1-NH2 2.96Å; E506-R531 IonicContact OE2-CZ 3.51Å; E506-R531 IonicContact OE2-NE 3.3Å; E506-R531 IonicContact OE2-NH2 2.69Å; E506-R531 PolarHBondContact OE2-NH2 3.32Å; H509-R531 PolarHBondContact CD2-NH1 3.49Å; H509-R531 PolarHBondContact CD2-NH2 3.31Å; H509-R531 VanDerWaalsContact CD2-NH2 3.29Å; H509-R531 PolarHBondContact ND1-NH2 3.26Å; H509-R531 PolarHBondContact NE2-NH1 2.92Å; C527-R531 WeakPolarHBondContact O-CB 3.34Å; C527-R531 VanDerWaalsContact O-CG 3.26Å; C527-R531 WeakPolarHBondContact O-CG 3.34Å; C527-R531 PolarHBondContact O-N 3.32Å; S528-R531 PolarHBondContact O-N 2.92Å; R531-K533 PolarHBondContact O-N 3.49Å; R531-I534 PolarHBondContact O-N 3.48Å; R531-E535 WeakPolarHBondContact O-CB 3.33Å; R531-E535 PolarHBondContact O-N 2.73Å
532	F	90.8	Very high	88.4	Confident	103 Å²	103	76.8 Å²	76.8	45%	0.452	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-40.2	179.6	-178.7	-117	0	0	0	112.8	S528 E530 E535 K536	S528-F532 WeakPolarHBondContact O-CB 3.26Å; S528-F532 PolarHBondContact O-N 2.93Å; E530-F532 VanDerWaalsContact C-N 3.35Å; E530-F532 PolarHBondContact O-N 2.96Å; F532-E535 PolarHBondContact O-N 2.69Å; F532-K536 HydrophobicContact CD1-CD 4.32Å; F532-K536 HydrophobicContact CE1-CD 3.96Å; F532-K536 HydrophobicContact CZ-CD 4.09Å; F532-K536 WeakPolarHBondContact O-CG 3.5Å; F532-K536 PolarHBondContact O-N 3.42Å
533	K	92.6	Very high	89.2	Confident	124 Å²	124	78.3 Å²	78.3	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-39.9	174.9	-75.4	166.5	-172.8	166.6	0	112	D529 E530 R531 K537	D529-K533 WeakPolarHBondContact O-CB 3.24Å; D529-K533 WeakPolarHBondContact O-CD 3.4Å; D529-K533 WeakPolarHBondContact O-CG 3.34Å; D529-K533 PolarHBondContact O-N 3.02Å; E530-K533 PolarHBondContact O-N 3.47Å; R531-K533 PolarHBondContact O-N 3.49Å; K533-K537 WeakPolarHBondContact O-CG 3.49Å; K533-K537 PolarHBondContact O-N 3.34Å
534	I	91.7	Very high	90.1	Very high	17 Å²	17	78.5 Å²	78.5	9%	0.087	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-46.1	176.8	-70.8	175.9	0	0	0	110.4	L498 K501 L502 I505 E530 R531 K536 K537 F538	L498-I534 HydrophobicContact CB-CG2 4.46Å; K501-I534 HydrophobicContact CB-CD1 4.02Å; L502-I534 HydrophobicContact CB-CG2 4.4Å; I505-I534 HydrophobicContact CD1-CD1 3.25Å; I505-I534 HydrophobicContact CD1-CG1 4.5Å; E530-I534 WeakPolarHBondContact O-CG1 3.38Å; E530-I534 PolarHBondContact O-N 3.28Å; R531-I534 PolarHBondContact O-N 3.48Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.9Å; I534-K537 CarbonylContact O-C 3.56Å; I534-K537 WeakPolarHBondContact O-CA 3.35Å; I534-K537 WeakPolarHBondContact O-CB 3.49Å; I534-K537 PolarHBondContact O-N 2.85Å; I534-F538 WeakPolarHBondContact O-CB 2.97Å; I534-F538 PolarHBondContact O-N 3.27Å
535	E	90.3	Very high	90.8	Very high	77 Å²	77	73.5 Å²	73.5	36%	0.36	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-44.1	179.1	174.9	163.1	-137.7	0	0	112.2	R531 F532 K537 F538 N539 R575	R531-E535 WeakPolarHBondContact O-CB 3.33Å; R531-E535 PolarHBondContact O-N 2.73Å; F532-E535 PolarHBondContact O-N 2.69Å; E535-K537 PolarHBondContact O-N 3.35Å; E535-F538 WeakPolarHBondContact O-CB 3.44Å; E535-F538 PolarHBondContact O-N 3.46Å; E535-F538 VanDerWaalsContact O-N 3.11Å; E535-N539 PolarHBondContact O-N 2.99Å; E535-R575 IonicContact OE1-CZ 2.67Å; E535-R575 IonicContact OE1-NH2 2.97Å; E535-R575 PolarHBondContact OE1-NH2 2.96Å
536	K	92.7	Very high	91.3	Very high	112 Å²	112	72.1 Å²	72.1	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-57.1	-36.3	173.2	-82.6	-179.1	167.3	172.9	0	113.1	F532 I534 K540	F532-K536 HydrophobicContact CD1-CD 4.32Å; F532-K536 HydrophobicContact CE1-CD 3.96Å; F532-K536 HydrophobicContact CZ-CD 4.09Å; F532-K536 WeakPolarHBondContact O-CG 3.5Å; F532-K536 PolarHBondContact O-N 3.42Å; I534-K536 VanDerWaalsContact C-N 3.33Å; I534-K536 PolarHBondContact O-N 2.9Å; K536-K540 WeakPolarHBondContact O-CG 3.45Å
537	K	93.6	Very high	91.7	Very high	126 Å²	126	70 Å²	70	55%	0.548	33%	0.334	S	S	.	.	H	α-helix	trans	-75.9	-37.5	176.5	-68.1	174.4	-178	176.9	0	111.2	L498 K533 I534 E535 K540 L541	L498-K537 HydrophobicContact CD1-CB 3.79Å; L498-K537 HydrophobicContact CD2-CD 4.42Å; K533-K537 WeakPolarHBondContact O-CG 3.49Å; K533-K537 PolarHBondContact O-N 3.34Å; I534-K537 CarbonylContact O-C 3.56Å; I534-K537 WeakPolarHBondContact O-CA 3.35Å; I534-K537 WeakPolarHBondContact O-CB 3.49Å; I534-K537 PolarHBondContact O-N 2.85Å; E535-K537 PolarHBondContact O-N 3.35Å; K537-K540 PolarHBondContact O-N 3.36Å; K537-L541 PolarHBondContact O-N 3.33Å; K537-L541 VanDerWaalsContact O-N 3.07Å
538	F	91.2	Very high	92.1	Very high	3 Å²	3	70.3 Å²	70.3	1%	0.013	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-53.8	178.4	-152.8	-101.9	0	0	0	111	R495 L498 I534 E535 K540 L541 E542	R495-F538 HydrophobicContact CG-CD2 4.21Å; R495-F538 HydrophobicContact CG-CE2 3.66Å; R495-F538 HydrophobicContact CG-CZ 4.1Å; R495-F538 VanDerWaalsContact CZ-CZ 3.41Å; R495-F538 VanDerWaalsContact NE-CZ 3.33Å; L498-F538 HydrophobicContact CB-CD2 4.36Å; I534-F538 WeakPolarHBondContact O-CB 2.97Å; I534-F538 PolarHBondContact O-N 3.27Å; E535-F538 WeakPolarHBondContact O-CB 3.44Å; E535-F538 PolarHBondContact O-N 3.46Å; E535-F538 VanDerWaalsContact O-N 3.11Å; F538-K540 PolarHBondContact O-N 2.95Å; F538-K540 VanDerWaalsContact O-N 3.13Å; F538-L541 PolarHBondContact O-N 3.42Å; F538-E542 HydrophobicContact CD1-CG 3.95Å; F538-E542 VanDerWaalsContact CD1-OE1 3.28Å; F538-E542 WeakPolarHBondContact CD1-OE1 3.44Å; F538-E542 VanDerWaalsContact CE1-CD 3.46Å; F538-E542 HydrophobicContact CE1-CG 4.15Å; F538-E542 WeakPolarHBondContact CE1-OE1 3.49Å; F538-E542 WeakPolarHBondContact O-CG 3.42Å; F538-E542 PolarHBondContact O-N 3.44Å
539	N	91.7	Very high	92.3	Very high	65 Å²	65	67.6 Å²	67.6	35%	0.348	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-29.9	-179.8	-64.8	-9.9	0	0	0	112.6	E535 K543	E535-N539 PolarHBondContact O-N 2.99Å; N539-K543 WeakPolarHBondContact O-CG 3.36Å; N539-K543 PolarHBondContact O-N 3.49Å
540	K	94.4	Very high	92.5	Very high	151 Å²	151	69.5 Å²	69.5	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-71.2	-44.7	173.4	-72.4	177.2	-178.3	-171.7	0	111.6	K536 K537 F538 L544	K536-K540 WeakPolarHBondContact O-CG 3.45Å; K537-K540 PolarHBondContact O-N 3.36Å; F538-K540 PolarHBondContact O-N 2.95Å; F538-K540 VanDerWaalsContact O-N 3.13Å; K540-L544 WeakPolarHBondContact O-CG 3.46Å; K540-L544 PolarHBondContact O-N 3.39Å
541	L	93.9	Very high	92.5	Very high	14 Å²	14	70.2 Å²	70.2	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-41.3	178.8	-77.6	167.9	0	0	0	112.1	Y491 R494 R495 L498 K537 F538 K543 L544 I545	Y491-L541 HydrophobicContact CD1-CD2 3.99Å; R494-L541 HydrophobicContact CB-CD1 4.29Å; R494-L541 HydrophobicContact CG-CD1 4.15Å; R495-L541 HydrophobicContact CB-CD1 4.49Å; L498-L541 HydrophobicContact CD1-CD1 3.51Å; K537-L541 PolarHBondContact O-N 3.33Å; K537-L541 VanDerWaalsContact O-N 3.07Å; F538-L541 PolarHBondContact O-N 3.42Å; L541-K543 VanDerWaalsContact C-N 3.33Å; L541-K543 PolarHBondContact O-N 2.93Å; L541-L544 WeakPolarHBondContact O-CB 3.4Å; L541-L544 PolarHBondContact O-N 2.83Å; L541-L544 VanDerWaalsContact O-N 3.09Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.42Å; L541-I545 PolarHBondContact O-N 3.26Å
542	E	92.8	Very high	92.5	Very high	33 Å²	33	67.5 Å²	67.5	15%	0.154	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-44.8	178.3	-71.9	-175.4	144.9	0	0	111.7	R495 F538 L544 I545 E546 M571	R495-E542 IonicContact NE-OE1 2.73Å; R495-E542 IonicContact NH2-OE1 3.6Å; F538-E542 HydrophobicContact CD1-CG 3.95Å; F538-E542 VanDerWaalsContact CD1-OE1 3.28Å; F538-E542 WeakPolarHBondContact CD1-OE1 3.44Å; F538-E542 VanDerWaalsContact CE1-CD 3.46Å; F538-E542 HydrophobicContact CE1-CG 4.15Å; F538-E542 WeakPolarHBondContact CE1-OE1 3.49Å; F538-E542 WeakPolarHBondContact O-CG 3.42Å; F538-E542 PolarHBondContact O-N 3.44Å; E542-L544 VanDerWaalsContact C-N 3.32Å; E542-L544 PolarHBondContact O-N 3.48Å; E542-I545 PolarHBondContact O-N 3.05Å; E542-E546 WeakPolarHBondContact O-CB 3.47Å; E542-E546 WeakPolarHBondContact O-CG 3.5Å; E542-E546 PolarHBondContact O-N 3.14Å; E542-M571 HydrophobicContact CG-SD 4.28Å
543	K	94.2	Very high	92.5	Very high	153 Å²	153	68.9 Å²	68.9	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-60.6	-39.4	174.9	-70.2	178.7	-178.1	-171.3	0	112.8	N539 L541 S547	N539-K543 WeakPolarHBondContact O-CG 3.36Å; N539-K543 PolarHBondContact O-N 3.49Å; L541-K543 VanDerWaalsContact C-N 3.33Å; L541-K543 PolarHBondContact O-N 2.93Å; K543-S547 WeakPolarHBondContact O-CB 3.49Å; K543-S547 PolarHBondContact O-N 3.1Å
544	L	94.5	Very high	92.3	Very high	76 Å²	76	71 Å²	71	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-41.9	176.8	-69.2	172.2	0	0	0	111.6	Y491 K540 L541 E542 S547 T548	Y491-L544 HydrophobicContact CD2-CB 4.26Å; Y491-L544 HydrophobicContact CE1-CD1 4.11Å; Y491-L544 HydrophobicContact CE2-CB 4.21Å; K540-L544 WeakPolarHBondContact O-CG 3.46Å; K540-L544 PolarHBondContact O-N 3.39Å; L541-L544 WeakPolarHBondContact O-CB 3.4Å; L541-L544 PolarHBondContact O-N 2.83Å; L541-L544 VanDerWaalsContact O-N 3.09Å; E542-L544 VanDerWaalsContact C-N 3.32Å; E542-L544 PolarHBondContact O-N 3.48Å; L544-S547 PolarHBondContact O-N 3.48Å; L544-T548 WeakPolarHBondContact O-CB 3.32Å; L544-T548 WeakPolarHBondContact O-CG2 3.11Å; L544-T548 PolarHBondContact O-N 3Å; L544-T548 PolarHBondContact O-OG1 2.92Å
545	I	94.7	Very high	92	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-45	177.8	-66.3	169.2	0	0	0	110.4	Y491 R495 L541 E542 S547 T548 A549 L560 Y567 M571	Y491-I545 VanDerWaalsContact CB-CG1 3.49Å; Y491-I545 HydrophobicContact CG-CG1 4.42Å; R495-I545 HydrophobicContact CB-CD1 4.04Å; R495-I545 HydrophobicContact CG-CD1 4.5Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.42Å; L541-I545 PolarHBondContact O-N 3.26Å; E542-I545 PolarHBondContact O-N 3.05Å; I545-S547 VanDerWaalsContact C-N 3.33Å; I545-S547 PolarHBondContact O-N 2.89Å; I545-T548 WeakPolarHBondContact CA-OG1 3.44Å; I545-T548 PolarHBondContact O-N 2.9Å; I545-T548 PolarHBondContact O-OG1 2.81Å; I545-A549 WeakPolarHBondContact O-CB 3.32Å; I545-A549 PolarHBondContact O-N 3.33Å; I545-L560 HydrophobicContact CG2-CD2 4.27Å; I545-Y567 HydrophobicContact CD1-CE1 3.8Å; I545-Y567 HydrophobicContact CG2-CD1 3.72Å; I545-Y567 HydrophobicContact CG2-CE1 3.75Å; I545-M571 HydrophobicContact CB-SD 4.15Å; I545-M571 HydrophobicContact CD1-SD 4.29Å; I545-M571 HydrophobicContact CG2-CE 4.3Å; I545-M571 HydrophobicContact CG2-SD 3.79Å
546	E	93.1	Very high	91.6	Very high	84 Å²	84	73.3 Å²	73.3	39%	0.393	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-43.4	175.6	-76.4	-175.9	-172.3	0	0	112	E542 K550 L568 M571	E542-E546 WeakPolarHBondContact O-CB 3.47Å; E542-E546 WeakPolarHBondContact O-CG 3.5Å; E542-E546 PolarHBondContact O-N 3.14Å; E546-K550 VanDerWaalsContact O-CB 3.31Å; E546-K550 WeakPolarHBondContact O-CB 3.34Å; E546-K550 WeakPolarHBondContact O-CG 3.35Å; E546-K550 PolarHBondContact O-N 3.37Å; E546-L568 HydrophobicContact CG-CD2 4.14Å; E546-M571 HydrophobicContact CG-CE 3.94Å
547	S	93.7	Very high	91.3	Very high	58 Å²	58	72.8 Å²	72.8	41%	0.406	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-47.7	177.2	-174.3	0	0	0	0	111.6	K543 L544 I545 K550 Q551	K543-S547 WeakPolarHBondContact O-CB 3.49Å; K543-S547 PolarHBondContact O-N 3.1Å; L544-S547 PolarHBondContact O-N 3.48Å; I545-S547 VanDerWaalsContact C-N 3.33Å; I545-S547 PolarHBondContact O-N 2.89Å; S547-K550 PolarHBondContact O-N 3.45Å; S547-Q551 WeakPolarHBondContact O-CG 3.34Å; S547-Q551 PolarHBondContact O-N 3.29Å
548	T	92.8	Very high	91	Very high	13 Å²	13	66.9 Å²	66.9	8%	0.08	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-39.6	179.3	51.1	0	0	0	0	112.7	Y491 L544 I545 Q551 L552	Y491-T548 HydrophobicContact CD2-CG2 4.18Å; Y491-T548 HydrophobicContact CE2-CG2 3.83Å; L544-T548 WeakPolarHBondContact O-CB 3.32Å; L544-T548 WeakPolarHBondContact O-CG2 3.11Å; L544-T548 PolarHBondContact O-N 3Å; L544-T548 PolarHBondContact O-OG1 2.92Å; I545-T548 WeakPolarHBondContact CA-OG1 3.44Å; I545-T548 PolarHBondContact O-N 2.9Å; I545-T548 PolarHBondContact O-OG1 2.81Å; T548-Q551 WeakPolarHBondContact O-CB 3.43Å; T548-Q551 PolarHBondContact O-N 3.39Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 3.5Å
549	A	91.9	Very high	90.9	Very high	6 Å²	6	69 Å²	69	5%	0.05	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-41.5	175	0	0	0	0	0	111.7	I545 Q551 L552 K553 L560 L568	I545-A549 WeakPolarHBondContact O-CB 3.32Å; I545-A549 PolarHBondContact O-N 3.33Å; A549-Q551 VanDerWaalsContact C-N 3.35Å; A549-Q551 PolarHBondContact O-N 3.37Å; A549-L552 PolarHBondContact O-N 2.76Å; A549-K553 WeakPolarHBondContact O-CB 3.21Å; A549-K553 PolarHBondContact O-N 3.14Å; A549-L560 HydrophobicContact CB-CD2 4.41Å; A549-L568 HydrophobicContact CB-CD1 4.17Å; A549-L568 HydrophobicContact CB-CD2 4Å; A549-L568 HydrophobicContact CB-CG 4.24Å
550	K	91.9	Very high	90.7	Very high	126 Å²	126	66.2 Å²	66.2	55%	0.548	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-42.3	172.5	-74.9	171.5	-176.4	173.1	0	111.2	E546 S547 K553 M554	E546-K550 VanDerWaalsContact O-CB 3.31Å; E546-K550 WeakPolarHBondContact O-CB 3.34Å; E546-K550 WeakPolarHBondContact O-CG 3.35Å; E546-K550 PolarHBondContact O-N 3.37Å; S547-K550 PolarHBondContact O-N 3.45Å; K550-K553 PolarHBondContact O-N 3.46Å; K550-M554 WeakPolarHBondContact O-CB 3.27Å; K550-M554 VanDerWaalsContact O-CG 3.3Å; K550-M554 WeakPolarHBondContact O-CG 3.5Å; K550-M554 PolarHBondContact O-N 2.79Å
551	Q	91.3	Very high	90.5	Very high	76 Å²	76	60 Å²	60	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175.6	-72.9	179.6	9.3	0	0	113	S547 T548 A549 M554 K555	S547-Q551 WeakPolarHBondContact O-CG 3.34Å; S547-Q551 PolarHBondContact O-N 3.29Å; T548-Q551 WeakPolarHBondContact O-CB 3.43Å; T548-Q551 PolarHBondContact O-N 3.39Å; A549-Q551 VanDerWaalsContact C-N 3.35Å; A549-Q551 PolarHBondContact O-N 3.37Å; Q551-M554 PolarHBondContact O-N 3.35Å; Q551-K555 WeakPolarHBondContact O-CB 3.26Å; Q551-K555 WeakPolarHBondContact O-CG 3.4Å; Q551-K555 PolarHBondContact O-N 3.32Å
552	L	89.5	Confident	90.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-43.6	175.3	-77.3	170.4	0	0	0	111.4	L484 L485 A488 T548 A549 F556 N557	L484-L552 HydrophobicContact CB-CD2 3.84Å; L484-L552 HydrophobicContact CB-CG 4.42Å; L485-L552 HydrophobicContact CD1-CD1 4.19Å; A488-L552 HydrophobicContact CB-CD1 4.12Å; T548-L552 WeakPolarHBondContact O-CG 3.47Å; T548-L552 PolarHBondContact O-N 3.5Å; A549-L552 PolarHBondContact O-N 2.76Å; L552-F556 HydrophobicContact CD2-CD2 4.18Å; L552-F556 PolarHBondContact O-N 2.97Å; L552-N557 PolarHBondContact O-N 3.27Å
553	K	89	Confident	89.9	Confident	133 Å²	133	63.6 Å²	63.6	58%	0.578	31%	0.312	S	S	*	.	H	α-helix	trans	-64.4	-44.3	176.7	-167.5	175.1	-177.9	179.7	0	111.9	A549 K550 N557	A549-K553 WeakPolarHBondContact O-CB 3.21Å; A549-K553 PolarHBondContact O-N 3.14Å; K550-K553 PolarHBondContact O-N 3.46Å; K553-N557 WeakPolarHBondContact O-CA 3.49Å; K553-N557 PolarHBondContact O-N 3.48Å
554	M	88.7	Confident	89.4	Confident	167 Å²	167	58.6 Å²	58.6	82%	0.823	30%	0.304	S	S	*	.	H	α-helix	trans	-68.6	-41	180	-71.6	-178.2	78.5	0	0	113.3	K550 Q551	K550-M554 WeakPolarHBondContact O-CB 3.27Å; K550-M554 VanDerWaalsContact O-CG 3.3Å; K550-M554 WeakPolarHBondContact O-CG 3.5Å; K550-M554 PolarHBondContact O-N 2.79Å; Q551-M554 PolarHBondContact O-N 3.35Å
555	K	85.9	Confident	89.1	Confident	127 Å²	127	60 Å²	60	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-85.3	-36.4	-173.5	-69.1	-179.6	178.9	177.4	0	113.7	L484 Q551	L484-K555 HydrophobicContact CD1-CD 4.02Å; Q551-K555 WeakPolarHBondContact O-CB 3.26Å; Q551-K555 WeakPolarHBondContact O-CG 3.4Å; Q551-K555 PolarHBondContact O-N 3.32Å
556	F	82.7	Confident	88.9	Confident	16 Å²	16	64 Å²	64	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-126.1	-1.5	-170.6	-56.5	-72	0	0	0	113.6	F464 T477 A481 L484 L552 Y558	F464-F556 HydrophobicContact CD1-CB 4.44Å; F464-F556 HydrophobicContact CD1-CD1 4.25Å; F464-F556 HydrophobicContact CD1-CG 4.3Å; F464-F556 HydrophobicContact CE1-CB 3.86Å; F464-F556 HydrophobicContact CE1-CD1 4.21Å; F464-F556 HydrophobicContact CE1-CD2 4.17Å; F464-F556 AromaticContact CE1-CG 3.8Å; F464-F556 HydrophobicContact CE1-CG 3.8Å; T477-F556 HydrophobicContact CG2-CE1 3.68Å; A481-F556 HydrophobicContact CB-CD1 4.13Å; A481-F556 HydrophobicContact CB-CD2 4.16Å; A481-F556 HydrophobicContact CB-CE1 3.66Å; A481-F556 HydrophobicContact CB-CE2 3.7Å; A481-F556 HydrophobicContact CB-CG 4.37Å; A481-F556 HydrophobicContact CB-CZ 3.43Å; A481-F556 VanDerWaalsContact CB-CZ 3.43Å; L484-F556 HydrophobicContact CD1-CE2 3.98Å; L552-F556 HydrophobicContact CD2-CD2 4.18Å; L552-F556 PolarHBondContact O-N 2.97Å; F556-Y558 PolarHBondContact O-N 2.85Å
557	N	85.2	Confident	88.8	Confident	101 Å²	101	60 Å²	60	54%	0.54	31%	0.311	S	S	.	.			trans	50.2	40.1	-172.1	-164.9	24.4	0	0	0	112.1	L552 K553	L552-N557 PolarHBondContact O-N 3.27Å; K553-N557 WeakPolarHBondContact O-CA 3.49Å; K553-N557 PolarHBondContact O-N 3.48Å
558	Y	87.1	Confident	88.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.008	31%	0.308	C	S	.	.			trans	-105.9	129.9	179.8	-179.9	-98.6	0	0	0	110.1	Y459 C460 K463 F464 L485 F556	Y459-Y558 HydrophobicContact CD1-CD2 4.37Å; Y459-Y558 HydrophobicContact CD1-CE2 4.03Å; Y459-Y558 HydrophobicContact CE1-CD2 4Å; Y459-Y558 HydrophobicContact CE1-CE2 4.06Å; C460-Y558 HydrophobicContact CB-CE2 4.04Å; K463-Y558 HydrophobicContact CB-CD2 4.39Å; K463-Y558 HydrophobicContact CG-CD2 4.47Å; F464-Y558 HydrophobicContact CE2-CD2 4.14Å; F464-Y558 HydrophobicContact CE2-CE2 4.28Å; F464-Y558 HydrophobicContact CE2-CG 4.34Å; F464-Y558 HydrophobicContact CZ-CD1 4.16Å; F464-Y558 HydrophobicContact CZ-CD2 4.08Å; F464-Y558 AromaticContact CZ-CG 3.85Å; F464-Y558 HydrophobicContact CZ-CG 3.85Å; L485-Y558 HydrophobicContact CD1-CD1 4.38Å; L485-Y558 HydrophobicContact CD1-CE1 3.77Å; F556-Y558 PolarHBondContact O-N 2.85Å
559	T	89	Confident	88.5	Confident	49 Å²	49	63.4 Å²	63.4	30%	0.301	33%	0.326	S	S	.	.			trans	-94.7	124.7	175.9	-63.1	0	0	0	0	109.3	T561 I566	T559-T561 PolarHBondContact O-N 3.45Å; T559-I566 HydrophobicContact CG2-CD1 4.47Å; T559-I566 HydrophobicContact CG2-CG1 4.11Å; T559-I566 HydrophobicContact CG2-CG2 3.87Å
560	L	88.8	Confident	88.5	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	33%	0.329	C	S	.	.			trans	-70.6	116.1	177.5	-177.1	67	0	0	0	110.4	L450 L485 A488 V492 I545 A549 Y567	L450-L560 HydrophobicContact CD1-CD1 4.15Å; L450-L560 HydrophobicContact CD2-CD1 4.27Å; L485-L560 HydrophobicContact CD1-CD1 4.36Å; A488-L560 HydrophobicContact CB-CD1 4.19Å; A488-L560 HydrophobicContact CB-CD2 4.3Å; V492-L560 HydrophobicContact CG2-CD2 4.1Å; I545-L560 HydrophobicContact CG2-CD2 4.27Å; A549-L560 HydrophobicContact CB-CD2 4.41Å; L560-Y567 HydrophobicContact CD2-CD1 4.2Å; L560-Y567 HydrophobicContact CD2-CG 4.5Å; L560-Y567 PolarHBondContact O-N 2.9Å
561	T	89.2	Confident	88.3	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.129	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	155	173.9	66.5	0	0	0	0	111.6	L452 E456 T559 Q565	L452-T561 WeakPolarHBondContact CD2-OG1 3.09Å; E456-T561 WeakPolarHBondContact OE1-CB 3.17Å; E456-T561 PolarHBondContact OE1-OG1 2.86Å; T559-T561 PolarHBondContact O-N 3.45Å; T561-Q565 CarbonylContact C-O 3.52Å; T561-Q565 WeakPolarHBondContact CA-O 3.42Å; T561-Q565 WeakPolarHBondContact CB-O 3.37Å
562	F	88.6	Confident	88.2	Confident	19 Å²	19	60.4 Å²	60.4	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	125.2	174.6	175.9	-100.6	0	0	0	108.3	L450 K451 V492 E496 G564 Q565 Y567 K570	L450-F562 WeakPolarHBondContact O-CA 3.29Å; L450-F562 VanDerWaalsContact O-CD2 3.26Å; L450-F562 WeakPolarHBondContact O-CD2 3.45Å; K451-F562 HydrophobicContact CD-CZ 4.48Å; V492-F562 HydrophobicContact CG1-CD2 3.63Å; V492-F562 HydrophobicContact CG1-CE2 4.05Å; V492-F562 HydrophobicContact CG1-CG 4.17Å; E496-F562 HydrophobicContact CG-CE1 4.1Å; E496-F562 HydrophobicContact CG-CE2 4.28Å; E496-F562 HydrophobicContact CG-CZ 3.78Å; F562-G564 VanDerWaalsContact C-N 3.25Å; F562-G564 PolarHBondContact O-N 3.16Å; F562-Q565 PolarHBondContact N-O 2.79Å; F562-Q565 PolarHBondContact O-N 2.88Å; F562-Y567 HydrophobicContact CB-CD2 3.52Å; F562-Y567 HydrophobicContact CB-CE2 4.16Å; F562-Y567 HydrophobicContact CB-CG 4.37Å; F562-Y567 HydrophobicContact CD1-CD2 4.41Å; F562-Y567 HydrophobicContact CD1-CE2 4.37Å; F562-Y567 HydrophobicContact CG-CD2 4.09Å; F562-Y567 HydrophobicContact CG-CE2 4.24Å; F562-K570 HydrophobicContact CD1-CD 3.92Å
563	N	85.2	Confident	88.2	Confident	102 Å²	102	64.5 Å²	64.5	55%	0.545	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.7	178.8	-160.2	62.1	0	0	0	113.4	L450 Q565	L450-N563 PolarHBondContact O-N 2.78Å; N563-Q565 VanDerWaalsContact C-N 3.3Å; N563-Q565 PolarHBondContact O-N 3.05Å
564	G	84.1	Confident	88.2	Confident	48 Å²	48	58.7 Å²	58.7	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-3.8	-179.7	0	0	0	0	0	116	E456 F562	E456-G564 WeakPolarHBondContact OE1-CA 3.48Å; F562-G564 VanDerWaalsContact C-N 3.25Å; F562-G564 PolarHBondContact O-N 3.16Å
565	Q	88.6	Confident	88	Confident	106 Å²	106	54.7 Å²	54.7	50%	0.495	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.4	-177.5	-66.3	-178.5	-25.6	0	0	111.9	T561 F562 N563 Y567	T561-Q565 CarbonylContact C-O 3.52Å; T561-Q565 WeakPolarHBondContact CA-O 3.42Å; T561-Q565 WeakPolarHBondContact CB-O 3.37Å; F562-Q565 PolarHBondContact N-O 2.79Å; F562-Q565 PolarHBondContact O-N 2.88Å; N563-Q565 VanDerWaalsContact C-N 3.3Å; N563-Q565 PolarHBondContact O-N 3.05Å; Q565-Y567 PolarHBondContact O-N 2.94Å; Q565-Y567 VanDerWaalsContact O-N 3.16Å
566	I	91.3	Very high	88.1	Confident	85 Å²	85	51.6 Å²	51.6	44%	0.436	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	118.2	171.5	-61.7	171.5	0	0	0	108.3	T559 L568 T569 K570	T559-I566 HydrophobicContact CG2-CD1 4.47Å; T559-I566 HydrophobicContact CG2-CG1 4.11Å; T559-I566 HydrophobicContact CG2-CG2 3.87Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 2.88Å; I566-T569 PolarHBondContact O-N 3.39Å; I566-T569 VanDerWaalsContact O-N 3.12Å; I566-K570 PolarHBondContact O-N 2.93Å
567	Y	91.4	Very high	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-38.5	-168.1	-167.9	-107.3	0	0	0	112.3	V492 R495 E496 I545 L560 F562 Q565 T569 K570 M571	V492-Y567 HydrophobicContact CB-CE1 4.43Å; V492-Y567 HydrophobicContact CB-CE2 4.46Å; V492-Y567 HydrophobicContact CG1-CD2 4.26Å; V492-Y567 HydrophobicContact CG1-CE1 4.48Å; V492-Y567 HydrophobicContact CG1-CE2 3.67Å; V492-Y567 HydrophobicContact CG2-CD1 3.86Å; V492-Y567 HydrophobicContact CG2-CD2 4.43Å; V492-Y567 HydrophobicContact CG2-CE1 3.63Å; V492-Y567 HydrophobicContact CG2-CE2 4.21Å; V492-Y567 HydrophobicContact CG2-CG 4.24Å; R495-Y567 VanDerWaalsContact CD-OH 3.29Å; R495-Y567 WeakPolarHBondContact CD-OH 3.3Å; R495-Y567 PolarHBondContact NH1-OH 3.22Å; E496-Y567 WeakPolarHBondContact OE1-CE2 3.41Å; E496-Y567 PolarHBondContact OE1-OH 3.38Å; I545-Y567 HydrophobicContact CD1-CE1 3.8Å; I545-Y567 HydrophobicContact CG2-CD1 3.72Å; I545-Y567 HydrophobicContact CG2-CE1 3.75Å; L560-Y567 HydrophobicContact CD2-CD1 4.2Å; L560-Y567 HydrophobicContact CD2-CG 4.5Å; L560-Y567 PolarHBondContact O-N 2.9Å; F562-Y567 HydrophobicContact CB-CD2 3.52Å; F562-Y567 HydrophobicContact CB-CE2 4.16Å; F562-Y567 HydrophobicContact CB-CG 4.37Å; F562-Y567 HydrophobicContact CD1-CD2 4.41Å; F562-Y567 HydrophobicContact CD1-CE2 4.37Å; F562-Y567 HydrophobicContact CG-CD2 4.09Å; F562-Y567 HydrophobicContact CG-CE2 4.24Å; Q565-Y567 PolarHBondContact O-N 2.94Å; Q565-Y567 VanDerWaalsContact O-N 3.16Å; Y567-T569 VanDerWaalsContact C-N 3.26Å; Y567-T569 PolarHBondContact O-N 3.3Å; Y567-K570 HydrophobicContact CD2-CD 4.18Å; Y567-K570 HydrophobicContact CE2-CD 4.32Å; Y567-K570 WeakPolarHBondContact O-CB 3.5Å; Y567-K570 PolarHBondContact O-N 3.05Å; Y567-K570 VanDerWaalsContact O-N 3.15Å; Y567-M571 HydrophobicContact CD1-CG 3.79Å; Y567-M571 HydrophobicContact CD1-SD 3.91Å; Y567-M571 HydrophobicContact CE1-CG 3.54Å; Y567-M571 HydrophobicContact CE1-SD 3.54Å; Y567-M571 VanDerWaalsContact CE1-SD 3.54Å; Y567-M571 HydrophobicContact CG-CG 4.5Å; Y567-M571 VanDerWaalsContact O-CG 3.28Å; Y567-M571 WeakPolarHBondContact O-CG 3.36Å; Y567-M571 PolarHBondContact O-N 3.19Å
568	L	89.5	Confident	88.6	Confident	67 Å²	67	50.5 Å²	50.5	35%	0.351	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-39.7	177.1	-67.4	179.4	0	0	0	112.4	E546 A549 I566 M571	E546-L568 HydrophobicContact CG-CD2 4.14Å; A549-L568 HydrophobicContact CB-CD1 4.17Å; A549-L568 HydrophobicContact CB-CD2 4Å; A549-L568 HydrophobicContact CB-CG 4.24Å; I566-L568 VanDerWaalsContact C-N 3.33Å; I566-L568 PolarHBondContact O-N 2.88Å; L568-M571 HydrophobicContact CD2-CE 3.62Å; L568-M571 PolarHBondContact O-N 2.87Å
569	T	90.4	Very high	88.5	Confident	75 Å²	75	54.6 Å²	54.6	46%	0.46	30%	0.3	S	S	.	.	H	α-helix	trans	-70.9	-43.2	176.4	-49.8	0	0	0	0	110.9	I566 Y567 M571 V572 H573	I566-T569 PolarHBondContact O-N 3.39Å; I566-T569 VanDerWaalsContact O-N 3.12Å; Y567-T569 VanDerWaalsContact C-N 3.26Å; Y567-T569 PolarHBondContact O-N 3.3Å; T569-M571 PolarHBondContact O-N 3.45Å; T569-V572 PolarHBondContact O-N 2.87Å; T569-H573 PolarHBondContact O-ND1 2.67Å
570	K	90.9	Very high	88.5	Confident	24 Å²	24	59.3 Å²	59.3	10%	0.104	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-40.7	174.7	179.7	179.3	-177.9	-65	0	111.2	E496 F562 I566 Y567 V572 H573 D574	E496-K570 VanDerWaalsContact CD-NZ 3.34Å; E496-K570 IonicContact OE1-NZ 3.91Å; E496-K570 PolarHBondContact OE1-NZ 3.47Å; E496-K570 IonicContact OE2-NZ 2.75Å; E496-K570 PolarHBondContact OE2-NZ 3.4Å; F562-K570 HydrophobicContact CD1-CD 3.92Å; I566-K570 PolarHBondContact O-N 2.93Å; Y567-K570 HydrophobicContact CD2-CD 4.18Å; Y567-K570 HydrophobicContact CE2-CD 4.32Å; Y567-K570 WeakPolarHBondContact O-CB 3.5Å; Y567-K570 PolarHBondContact O-N 3.05Å; Y567-K570 VanDerWaalsContact O-N 3.15Å; K570-V572 VanDerWaalsContact C-N 3.27Å; K570-V572 PolarHBondContact O-N 2.95Å; K570-H573 PolarHBondContact O-N 3.46Å; K570-H573 VanDerWaalsContact O-N 3.11Å; K570-D574 WeakPolarHBondContact CE-OD1 3.44Å; K570-D574 WeakPolarHBondContact CG-OD1 3.32Å; K570-D574 VanDerWaalsContact NZ-CG 3.33Å; K570-D574 IonicContact NZ-OD1 2.73Å; K570-D574 PolarHBondContact NZ-OD1 2.69Å; K570-D574 IonicContact NZ-OD2 3.73Å; K570-D574 PolarHBondContact NZ-OD2 3.46Å; K570-D574 PolarHBondContact O-N 2.87Å
571	M	88.8	Confident	88.5	Confident	11 Å²	11	63.3 Å²	63.3	5%	0.054	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-36.5	-177.2	-67.2	-165	-47.9	0	0	114	R495 E542 I545 E546 Y567 L568 T569	R495-M571 PolarHBondContact NH2-O 3.36Å; E542-M571 HydrophobicContact CG-SD 4.28Å; I545-M571 HydrophobicContact CB-SD 4.15Å; I545-M571 HydrophobicContact CD1-SD 4.29Å; I545-M571 HydrophobicContact CG2-CE 4.3Å; I545-M571 HydrophobicContact CG2-SD 3.79Å; E546-M571 HydrophobicContact CG-CE 3.94Å; Y567-M571 HydrophobicContact CD1-CG 3.79Å; Y567-M571 HydrophobicContact CD1-SD 3.91Å; Y567-M571 HydrophobicContact CE1-CG 3.54Å; Y567-M571 HydrophobicContact CE1-SD 3.54Å; Y567-M571 VanDerWaalsContact CE1-SD 3.54Å; Y567-M571 HydrophobicContact CG-CG 4.5Å; Y567-M571 VanDerWaalsContact O-CG 3.28Å; Y567-M571 WeakPolarHBondContact O-CG 3.36Å; Y567-M571 PolarHBondContact O-N 3.19Å; L568-M571 HydrophobicContact CD2-CE 3.62Å; L568-M571 PolarHBondContact O-N 2.87Å; T569-M571 PolarHBondContact O-N 3.45Å
572	V	88.8	Confident	88.3	Confident	109 Å²	109	63.7 Å²	63.7	66%	0.661	34%	0.336	S	S	*	.	H	α-helix	trans	-67.5	-39.2	179.3	179.5	0	0	0	0	111	T569 K570	T569-V572 PolarHBondContact O-N 2.87Å; K570-V572 VanDerWaalsContact C-N 3.27Å; K570-V572 PolarHBondContact O-N 2.95Å
573	H	88.5	Confident	88	Confident	87 Å²	87	70.7 Å²	70.7	40%	0.403	36%	0.362	S	S	.	.	H	α-helix	trans	-91.7	-21.2	-173.1	-58.6	92.7	0	0	0	113.5	T569 K570 R575 S576 D577	T569-H573 PolarHBondContact O-ND1 2.67Å; K570-H573 PolarHBondContact O-N 3.46Å; K570-H573 VanDerWaalsContact O-N 3.11Å; H573-R575 PolarHBondContact O-N 2.9Å; H573-S576 WeakPolarHBondContact CA-OG 3.42Å; H573-S576 PolarHBondContact O-N 3.43Å; H573-S576 PolarHBondContact O-OG 3.28Å; H573-D577 WeakPolarHBondContact O-CB 3.36Å; H573-D577 PolarHBondContact O-N 3.39Å
574	D	90	Very high	88	Confident	10 Å²	10	70.4 Å²	70.4	5%	0.053	36%	0.357	C	S	.	.	H	α-helix	trans	-52	-35.1	-175.6	-80.4	-34.7	0	0	0	114.1	R495 L499 K570 L578	R495-D574 IonicContact CZ-OD2 3.62Å; R495-D574 IonicContact NH1-OD2 2.84Å; R495-D574 PolarHBondContact NH1-OD2 3.4Å; R495-D574 IonicContact NH2-OD2 3.88Å; R495-D574 PolarHBondContact NH2-OD2 2.88Å; L499-D574 HydrophobicContact CD1-CB 4.32Å; L499-D574 HydrophobicContact CD2-CB 4.18Å; K570-D574 WeakPolarHBondContact CE-OD1 3.44Å; K570-D574 WeakPolarHBondContact CG-OD1 3.32Å; K570-D574 VanDerWaalsContact NZ-CG 3.33Å; K570-D574 IonicContact NZ-OD1 2.73Å; K570-D574 PolarHBondContact NZ-OD1 2.69Å; K570-D574 IonicContact NZ-OD2 3.73Å; K570-D574 PolarHBondContact NZ-OD2 3.46Å; K570-D574 PolarHBondContact O-N 2.87Å; D574-L578 VanDerWaalsContact O-CB 3.24Å; D574-L578 WeakPolarHBondContact O-CB 3.36Å; D574-L578 PolarHBondContact O-N 3.04Å
575	R	84.2	Confident	87.9	Confident	83 Å²	83	74.7 Å²	74.7	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-72	-46.5	177.8	-75.3	177	128.1	144.2	-13.8	112	E535 H573 D577 I579	E535-R575 IonicContact OE1-CZ 2.67Å; E535-R575 IonicContact OE1-NH2 2.97Å; E535-R575 PolarHBondContact OE1-NH2 2.96Å; H573-R575 PolarHBondContact O-N 2.9Å; R575-D577 VanDerWaalsContact C-N 3.3Å; R575-I579 WeakPolarHBondContact O-CG1 3.46Å; R575-I579 PolarHBondContact O-N 2.99Å
576	S	87.6	Confident	87.1	Confident	63 Å²	63	71.3 Å²	71.3	44%	0.441	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-40	176.1	46.3	0	0	0	0	111	H573 I579 Y580	H573-S576 WeakPolarHBondContact CA-OG 3.42Å; H573-S576 PolarHBondContact O-N 3.43Å; H573-S576 PolarHBondContact O-OG 3.28Å; S576-I579 PolarHBondContact O-N 3.32Å; S576-Y580 VanDerWaalsContact O-CB 3.27Å; S576-Y580 WeakPolarHBondContact O-CB 3.44Å; S576-Y580 PolarHBondContact O-N 3.3Å
577	D	90.1	Very high	86.4	Confident	74 Å²	74	75 Å²	75	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-42.4	-178.9	-64	-5.1	0	0	0	110.5	H573 R575 I579 Y580 L581	H573-D577 WeakPolarHBondContact O-CB 3.36Å; H573-D577 PolarHBondContact O-N 3.39Å; R575-D577 VanDerWaalsContact C-N 3.3Å; D577-I579 PolarHBondContact O-N 2.83Å; D577-Y580 PolarHBondContact O-N 2.98Å; D577-L581 WeakPolarHBondContact O-CB 3.47Å; D577-L581 WeakPolarHBondContact O-CG 3.24Å; D577-L581 PolarHBondContact O-N 3.35Å
578	L	88.5	Confident	85.4	Confident	20 Å²	20	78 Å²	78	11%	0.105	38%	0.384	C	S	.	.	H	α-helix	trans	-59.1	-48.8	174.1	177	62.9	0	0	0	111.8	L499 L502 A503 D574 Y580 L581 L582	L499-L578 HydrophobicContact CD1-CD2 4.17Å; L502-L578 HydrophobicContact CB-CD2 4.28Å; L502-L578 HydrophobicContact CD2-CD2 3.81Å; L502-L578 HydrophobicContact CG-CD2 3.84Å; A503-L578 HydrophobicContact CB-CD1 3.47Å; A503-L578 VanDerWaalsContact CB-CD1 3.47Å; A503-L578 HydrophobicContact CB-CD2 4.38Å; D574-L578 VanDerWaalsContact O-CB 3.24Å; D574-L578 WeakPolarHBondContact O-CB 3.36Å; D574-L578 PolarHBondContact O-N 3.04Å; L578-Y580 VanDerWaalsContact C-N 3.31Å; L578-Y580 PolarHBondContact O-N 3.2Å; L578-L581 PolarHBondContact O-N 2.75Å; L578-L582 HydrophobicContact CD1-CD1 4.03Å; L578-L582 HydrophobicContact CD1-CG 4.25Å; L578-L582 HydrophobicContact CG-CD1 4.07Å; L578-L582 WeakPolarHBondContact O-CB 3.31Å; L578-L582 VanDerWaalsContact O-CG 3.26Å; L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.46Å
579	I	85.1	Confident	84.1	Confident	87 Å²	87	81.3 Å²	81.3	45%	0.446	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-42.2	179.5	-66.1	166.3	0	0	0	110.3	R575 S576 D577 L582 R583	R575-I579 WeakPolarHBondContact O-CG1 3.46Å; R575-I579 PolarHBondContact O-N 2.99Å; S576-I579 PolarHBondContact O-N 3.32Å; D577-I579 PolarHBondContact O-N 2.83Å; I579-L582 PolarHBondContact O-N 3Å; I579-R583 WeakPolarHBondContact O-CG 3.49Å; I579-R583 PolarHBondContact O-N 2.82Å
580	Y	89.4	Confident	82.5	Confident	149 Å²	149	84.1 Å²	84.1	58%	0.584	40%	0.403	S	S	*	.	H	α-helix	trans	-60.1	-52	177	177.7	-92	0	0	0	111.4	S576 D577 L578 L582 R583 E584	S576-Y580 VanDerWaalsContact O-CB 3.27Å; S576-Y580 WeakPolarHBondContact O-CB 3.44Å; S576-Y580 PolarHBondContact O-N 3.3Å; D577-Y580 PolarHBondContact O-N 2.98Å; L578-Y580 VanDerWaalsContact C-N 3.31Å; L578-Y580 PolarHBondContact O-N 3.2Å; Y580-L582 VanDerWaalsContact C-N 3.29Å; Y580-L582 PolarHBondContact O-N 2.93Å; Y580-R583 WeakPolarHBondContact O-CB 3.37Å; Y580-R583 PolarHBondContact O-N 3.25Å; Y580-R583 VanDerWaalsContact O-N 3.11Å; Y580-E584 VanDerWaalsContact CE1-OE2 3.31Å; Y580-E584 WeakPolarHBondContact CE1-OE2 3.36Å; Y580-E584 WeakPolarHBondContact O-CB 3.36Å; Y580-E584 PolarHBondContact O-N 3.04Å
581	L	88.4	Confident	80.8	Confident	90 Å²	90	84.5 Å²	84.5	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-37.5	179.7	-72.6	170.3	0	0	0	112.2	D577 L578 K585	D577-L581 WeakPolarHBondContact O-CB 3.47Å; D577-L581 WeakPolarHBondContact O-CG 3.24Å; D577-L581 PolarHBondContact O-N 3.35Å; L578-L581 PolarHBondContact O-N 2.75Å; L581-K585 WeakPolarHBondContact O-CB 3.45Å; L581-K585 WeakPolarHBondContact O-CG 3.21Å; L581-K585 PolarHBondContact O-N 3.03Å
582	L	84.9	Confident	79.3	Confident	29 Å²	29	89.2 Å²	89.2	15%	0.152	44%	0.439	C	S	.	.	H	α-helix	trans	-69.6	-39.4	176.4	-70.5	171.2	0	0	0	112.3	E506 A507 L578 I579 Y580 S586	E506-L582 HydrophobicContact CB-CD1 3.35Å; E506-L582 HydrophobicContact CG-CD1 4.09Å; A507-L582 HydrophobicContact CB-CD2 4.49Å; L578-L582 HydrophobicContact CD1-CD1 4.03Å; L578-L582 HydrophobicContact CD1-CG 4.25Å; L578-L582 HydrophobicContact CG-CD1 4.07Å; L578-L582 WeakPolarHBondContact O-CB 3.31Å; L578-L582 VanDerWaalsContact O-CG 3.26Å; L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.46Å; I579-L582 PolarHBondContact O-N 3Å; Y580-L582 VanDerWaalsContact C-N 3.29Å; Y580-L582 PolarHBondContact O-N 2.93Å; L582-S586 WeakPolarHBondContact O-CB 3.37Å; L582-S586 PolarHBondContact O-N 3.02Å; L582-S586 PolarHBondContact O-OG 2.87Å
583	R	82.9	Confident	77.6	Confident	166 Å²	166	89.4 Å²	89.4	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-65.3	-42.2	174.1	-74.7	175.8	179.3	-179.5	0.8	111.4	I579 Y580 S586 K587	I579-R583 WeakPolarHBondContact O-CG 3.49Å; I579-R583 PolarHBondContact O-N 2.82Å; Y580-R583 WeakPolarHBondContact O-CB 3.37Å; Y580-R583 PolarHBondContact O-N 3.25Å; Y580-R583 VanDerWaalsContact O-N 3.11Å; R583-S586 WeakPolarHBondContact O-CB 3.38Å; R583-S586 PolarHBondContact O-N 2.87Å; R583-S586 VanDerWaalsContact O-N 3.17Å; R583-K587 WeakPolarHBondContact O-CG 3.38Å; R583-K587 PolarHBondContact O-N 2.76Å
584	E	84.7	Confident	75.9	Confident	96 Å²	96	89.5 Å²	89.5	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-44.8	177.9	-171	-179.1	-177.6	0	0	111.9	Y580 S586 K587 S588	Y580-E584 VanDerWaalsContact CE1-OE2 3.31Å; Y580-E584 WeakPolarHBondContact CE1-OE2 3.36Å; Y580-E584 WeakPolarHBondContact O-CB 3.36Å; Y580-E584 PolarHBondContact O-N 3.04Å; E584-S586 PolarHBondContact O-N 2.85Å; E584-K587 PolarHBondContact O-N 2.83Å; E584-S588 PolarHBondContact O-N 3.47Å; E584-S588 PolarHBondContact O-OG 2.83Å
585	K	81.3	Confident	74.1	Confident	137 Å²	137	94.4 Å²	94.4	60%	0.596	48%	0.477	S	S	*	.	H	α-helix	trans	-60.4	-30.7	171.9	-77.4	-176.4	177.7	177.4	0	113.1	L581 S588 K589	L581-K585 WeakPolarHBondContact O-CB 3.45Å; L581-K585 WeakPolarHBondContact O-CG 3.21Å; L581-K585 PolarHBondContact O-N 3.03Å; K585-S588 WeakPolarHBondContact CA-OG 3.48Å; K585-S588 PolarHBondContact O-OG 3.01Å; K585-S588 VanDerWaalsContact O-OG 3.11Å; K585-K589 WeakPolarHBondContact O-CG 3.15Å; K585-K589 PolarHBondContact O-N 3.11Å
586	S	73.1	Confident	72	Confident	36 Å²	36	101.9 Å²	101.9	25%	0.252	51%	0.512	S	S	.	.	H	α-helix	trans	-74	-39.9	176.7	-60.1	0	0	0	0	112	L582 R583 E584 H590	L582-S586 WeakPolarHBondContact O-CB 3.37Å; L582-S586 PolarHBondContact O-N 3.02Å; L582-S586 PolarHBondContact O-OG 2.87Å; R583-S586 WeakPolarHBondContact O-CB 3.38Å; R583-S586 PolarHBondContact O-N 2.87Å; R583-S586 VanDerWaalsContact O-N 3.17Å; E584-S586 PolarHBondContact O-N 2.85Å; S586-H590 PolarHBondContact O-N 3.29Å
587	K	75.5	Confident	71.2	Confident	162 Å²	162	103.9 Å²	103.9	70%	0.704	52%	0.516	S	S	*	.	H	α-helix	trans	-66.2	-45.5	176	-71.1	177.9	179.6	-176.3	0	112.2	R583 E584 H590 G591	R583-K587 WeakPolarHBondContact O-CG 3.38Å; R583-K587 PolarHBondContact O-N 2.76Å; E584-K587 PolarHBondContact O-N 2.83Å; K587-H590 PolarHBondContact O-N 2.92Å; K587-G591 PolarHBondContact O-N 3.33Å
588	S	70.4	Confident	70.2	Confident	63 Å²	63	105.4 Å²	105.4	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-40.5	179.2	49.3	0	0	0	0	112.6	E584 K585 G591 N592	E584-S588 PolarHBondContact O-N 3.47Å; E584-S588 PolarHBondContact O-OG 2.83Å; K585-S588 WeakPolarHBondContact CA-OG 3.48Å; K585-S588 PolarHBondContact O-OG 3.01Å; K585-S588 VanDerWaalsContact O-OG 3.11Å; S588-G591 PolarHBondContact O-N 3.01Å; S588-N592 PolarHBondContact O-N 3.43Å; S588-N592 VanDerWaalsContact O-N 3.07Å
589	K	62.9	Low	69.2	Low	136 Å²	136	110.2 Å²	110.2	59%	0.591	55%	0.546	S	S	*	.	H	α-helix	trans	-60.7	-44.5	172.3	-77.2	-175.9	177.5	-171.5	0	112.1	K585 G591 N592 D593	K585-K589 WeakPolarHBondContact O-CG 3.15Å; K585-K589 PolarHBondContact O-N 3.11Å; K589-G591 PolarHBondContact O-N 2.96Å; K589-N592 PolarHBondContact O-N 3.18Å; K589-D593 PolarHBondContact O-N 3.1Å
590	H	57.2	Low	68.3	Low	134 Å²	134	111.5 Å²	111.5	62%	0.62	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-37.2	179.5	-158.7	56.7	0	0	0	112.6	S586 K587 D593 S594	S586-H590 PolarHBondContact O-N 3.29Å; K587-H590 PolarHBondContact O-N 2.92Å; H590-D593 PolarHBondContact O-N 2.93Å; H590-S594 PolarHBondContact O-N 2.84Å; H590-S594 PolarHBondContact O-OG 3.03Å
591	G	55.6	Low	66.9	Low	32 Å²	32	109.2 Å²	109.2	33%	0.33	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-35.5	175	0	0	0	0	0	113.9	K587 S588 K589 S594 T595	K587-G591 PolarHBondContact O-N 3.33Å; S588-G591 PolarHBondContact O-N 3.01Å; K589-G591 PolarHBondContact O-N 2.96Å; G591-S594 WeakPolarHBondContact CA-OG 3.46Å; G591-S594 PolarHBondContact O-OG 2.76Å; G591-T595 WeakPolarHBondContact O-CG2 3.5Å; G591-T595 PolarHBondContact O-N 2.86Å; G591-T595 PolarHBondContact O-OG1 3.31Å
592	N	55.4	Low	65.5	Low	111 Å²	111	110.5 Å²	110.5	59%	0.594	56%	0.555	S	S	*	*	H	α-helix	trans	-73.3	-31.6	175.1	-78.6	0.6	0	0	0	112.8	S588 K589 T595	S588-N592 PolarHBondContact O-N 3.43Å; S588-N592 VanDerWaalsContact O-N 3.07Å; K589-N592 PolarHBondContact O-N 3.18Å; N592-T595 PolarHBondContact O-OG1 2.98Å
593	D	53.9	Low	64.1	Low	112 Å²	112	116.3 Å²	116.3	60%	0.599	58%	0.583	S	S	*	*	H	α-helix	trans	-75.8	-29.5	175.3	-70.8	-21.5	0	0	0	112	K589 H590 T595	K589-D593 PolarHBondContact O-N 3.1Å; H590-D593 PolarHBondContact O-N 2.93Å; D593-T595 VanDerWaalsContact C-N 3.3Å; D593-T595 PolarHBondContact O-N 3.37Å
594	S	53.8	Low	62.7	Low	90 Å²	90	112.5 Å²	112.5	63%	0.629	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-10.4	175.6	59.1	0	0	0	0	114.6	H590 G591	H590-S594 PolarHBondContact O-N 2.84Å; H590-S594 PolarHBondContact O-OG 3.03Å; G591-S594 WeakPolarHBondContact CA-OG 3.46Å; G591-S594 PolarHBondContact O-OG 2.76Å
595	T	50.5	Low	60.8	Low	112 Å²	112	113.8 Å²	113.8	69%	0.687	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-2	179.6	45	0	0	0	0	113.4	G591 N592 D593	G591-T595 WeakPolarHBondContact O-CG2 3.5Å; G591-T595 PolarHBondContact O-N 2.86Å; G591-T595 PolarHBondContact O-OG1 3.31Å; N592-T595 PolarHBondContact O-OG1 2.98Å; D593-T595 VanDerWaalsContact C-N 3.3Å; D593-T595 PolarHBondContact O-N 3.37Å
596	K	40.5	Very low	59	Low	241 Å²	241	111.7 Å²	111.7	100%	1.048	59%	0.59	S	S	*	*			trans	-104.8	0	166.9	-77	-176.5	176	-179.5	0	109.6

Retrieved 596 of 596 residues in 624.3 ms (Link to these results)

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