A0A3Q0KNK8_SCHMA Loading...

Protein FAM92A1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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	38.6	Very low	57.8	Low	244 Å²	244	106.4 Å²	106.4	100%	1.202	62%	0.619	S	S	*	*				0	114.1	0	-71.4	-170.1	163.1	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.17Å
2	S	38	Very low	59.8	Low	109 Å²	109	107.2 Å²	107.2	76%	0.762	61%	0.613	S	S	*	*			trans	-66.5	105.5	-176.8	-165.4	0	0	0	0	109.2	T4	S2-T4 PolarHBondContact O-N 3.17Å; S2-T4 VanDerWaalsContact O-N 3.09Å; S2-T4 PolarHBondContact OG-OG1 3.09Å
3	S	42.8	Very low	61.7	Low	88 Å²	88	103.5 Å²	103.5	62%	0.615	58%	0.583	S	S	*	*			trans	-84.8	56.9	173.8	177	0	0	0	0	109.5	M1 I5	M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.17Å; S3-I5 PolarHBondContact O-N 3.29Å; S3-I5 VanDerWaalsContact O-N 3.14Å
4	T	52.4	Low	63.3	Low	106 Å²	106	101.2 Å²	101.2	65%	0.65	57%	0.572	S	S	*	*			trans	-67.9	111.9	170.3	-47.9	0	0	0	0	106.8	S2 G6	S2-T4 PolarHBondContact O-N 3.17Å; S2-T4 VanDerWaalsContact O-N 3.09Å; S2-T4 PolarHBondContact OG-OG1 3.09Å; T4-G6 PolarHBondContact O-N 2.9Å
5	I	57	Low	65	Low	81 Å²	81	98.8 Å²	98.8	42%	0.415	56%	0.564	S	S	.	*			trans	-48.6	109.6	167	-69.6	173	0	0	0	106.5	S3 A9 R10 L159	S3-I5 PolarHBondContact O-N 3.29Å; S3-I5 VanDerWaalsContact O-N 3.14Å; I5-A9 HydrophobicContact CG2-CB 3.64Å; I5-R10 HydrophobicContact CG2-CB 4.33Å; I5-L159 HydrophobicContact CD1-CD2 4.47Å
6	G	54.8	Low	66.4	Low	34 Å²	34	96.5 Å²	96.5	35%	0.351	55%	0.547	S	S	.	.			trans	-57.3	151	-177.3	0	0	0	0	0	110.7	T4 N8 A9 R10	T4-G6 PolarHBondContact O-N 2.9Å; G6-N8 PolarHBondContact O-N 3.37Å; G6-A9 PolarHBondContact O-N 3.04Å; G6-R10 PolarHBondContact O-N 3.49Å
7	P	63.6	Low	67.8	Low	102 Å²	102	91.6 Å²	91.6	66%	0.662	52%	0.519	S	S	*	.	H	α-helix	trans	-51.8	-34.4	-175.6	16.2	-29.3	0	0	0	113.2	R10 L11	P7-R10 PolarHBondContact O-N 3.14Å; P7-L11 WeakPolarHBondContact O-CG 3.34Å; P7-L11 PolarHBondContact O-N 3.23Å
8	N	67.2	Low	69.1	Low	133 Å²	133	94.2 Å²	94.2	71%	0.711	52%	0.524	S	S	*	.	H	α-helix	trans	-64.4	-40	175.5	-69.7	-15.6	0	0	0	113.7	G6 R10 L11 H12	G6-N8 PolarHBondContact O-N 3.37Å; N8-R10 VanDerWaalsContact C-N 3.32Å; N8-L11 PolarHBondContact O-N 3.45Å; N8-H12 WeakPolarHBondContact O-CB 3.27Å; N8-H12 PolarHBondContact O-N 3.42Å
9	A	72.2	Confident	70.2	Confident	55 Å²	55	93.8 Å²	93.8	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-70.7	-31.9	178.6	0	0	0	0	0	111.7	I5 G6 R13	I5-A9 HydrophobicContact CG2-CB 3.64Å; G6-A9 PolarHBondContact O-N 3.04Å; A9-R13 PolarHBondContact O-N 3.17Å; A9-R13 VanDerWaalsContact O-N 3.13Å
10	R	71.5	Confident	71.1	Confident	104 Å²	104	90.3 Å²	90.3	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-67.7	-48	172.9	-176.1	-176.3	-77	-149.7	-11	111.4	I5 G6 P7 N8 H12 R13 V14 E144	I5-R10 HydrophobicContact CG2-CB 4.33Å; G6-R10 PolarHBondContact O-N 3.49Å; P7-R10 PolarHBondContact O-N 3.14Å; N8-R10 VanDerWaalsContact C-N 3.32Å; R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 3.23Å; R10-R13 PolarHBondContact O-N 3.22Å; R10-V14 WeakPolarHBondContact O-CG2 3.32Å; R10-V14 PolarHBondContact O-N 3.29Å; R10-E144 IonicContact CZ-OE1 3.58Å; R10-E144 VanDerWaalsContact CZ-OE1 3.25Å; R10-E144 IonicContact NH1-OE1 2.71Å; R10-E144 PolarHBondContact NH1-OE1 3.4Å; R10-E144 IonicContact NH2-OE1 3.34Å
11	L	77.3	Confident	72	Confident	114 Å²	114	89.7 Å²	89.7	60%	0.597	49%	0.493	S	S	*	.	H	α-helix	trans	-58.2	-45.1	177	-74.5	170.3	0	0	0	111.5	P7 N8 R13 V14 S15	P7-L11 WeakPolarHBondContact O-CG 3.34Å; P7-L11 PolarHBondContact O-N 3.23Å; N8-L11 PolarHBondContact O-N 3.45Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.3Å; L11-V14 PolarHBondContact O-N 3.02Å; L11-S15 PolarHBondContact O-N 2.85Å; L11-S15 PolarHBondContact O-OG 2.81Å
12	H	82.2	Confident	74.6	Confident	116 Å²	116	82.1 Å²	82.1	54%	0.537	46%	0.457	S	S	.	.	H	α-helix	trans	-56.9	-45.7	175.8	-170.6	-88.5	0	0	0	112.1	N8 R10 S15 E16	N8-H12 WeakPolarHBondContact O-CB 3.27Å; N8-H12 PolarHBondContact O-N 3.42Å; R10-H12 VanDerWaalsContact C-N 3.32Å; R10-H12 PolarHBondContact O-N 3.23Å; H12-S15 WeakPolarHBondContact O-CB 3.49Å; H12-S15 PolarHBondContact O-N 3.4Å; H12-E16 VanDerWaalsContact CE1-CD 3.5Å; H12-E16 IonicContact CE1-OE1 3.59Å; H12-E16 PolarHBondContact CE1-OE1 3.44Å; H12-E16 IonicContact ND1-OE1 3.74Å; H12-E16 PolarHBondContact ND1-OE1 3.21Å; H12-E16 IonicContact ND1-OE2 3.99Å; H12-E16 WeakPolarHBondContact O-CG 3.43Å; H12-E16 PolarHBondContact O-N 2.86Å
13	R	84	Confident	77.2	Confident	59 Å²	59	81.9 Å²	81.9	22%	0.223	44%	0.444	C	S	.	.	H	α-helix	trans	-67.9	-37.7	179.8	179.7	153.4	-113.2	109.9	7.5	112.7	A9 R10 L11 S15 E16 I17 E136 M163	A9-R13 PolarHBondContact O-N 3.17Å; A9-R13 VanDerWaalsContact O-N 3.13Å; R10-R13 PolarHBondContact O-N 3.22Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 3.3Å; R13-S15 VanDerWaalsContact C-N 3.29Å; R13-S15 PolarHBondContact O-N 3.05Å; R13-E16 PolarHBondContact O-N 3.15Å; R13-I17 HydrophobicContact CG-CD1 4.03Å; R13-I17 HydrophobicContact CG-CG1 4.41Å; R13-I17 WeakPolarHBondContact O-CB 3.4Å; R13-I17 VanDerWaalsContact O-CG1 3.26Å; R13-I17 WeakPolarHBondContact O-CG1 3.42Å; R13-I17 PolarHBondContact O-N 3.02Å; R13-E136 IonicContact CZ-OE1 3.62Å; R13-E136 IonicContact NE-OE1 2.7Å; R13-E136 PolarHBondContact NE-OE1 3.43Å; R13-E136 IonicContact NH2-OE1 3Å; R13-M163 VanDerWaalsContact CZ-SD 3.55Å
14	V	85.2	Confident	79.6	Confident	72 Å²	72	78.2 Å²	78.2	44%	0.436	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-40.9	173.1	173.2	0	0	0	0	110.7	R10 L11 I17 K18	R10-V14 WeakPolarHBondContact O-CG2 3.32Å; R10-V14 PolarHBondContact O-N 3.29Å; L11-V14 PolarHBondContact O-N 3.02Å; V14-I17 PolarHBondContact O-N 2.88Å; V14-K18 PolarHBondContact O-N 3.24Å
15	S	88.1	Confident	81.7	Confident	65 Å²	65	79.8 Å²	79.8	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-45.6	173.1	-65.3	0	0	0	0	112.4	L11 H12 R13 I17 K18 E19	L11-S15 PolarHBondContact O-N 2.85Å; L11-S15 PolarHBondContact O-OG 2.81Å; H12-S15 WeakPolarHBondContact O-CB 3.49Å; H12-S15 PolarHBondContact O-N 3.4Å; R13-S15 VanDerWaalsContact C-N 3.29Å; R13-S15 PolarHBondContact O-N 3.05Å; S15-I17 PolarHBondContact O-N 3.37Å; S15-K18 PolarHBondContact O-N 2.88Å; S15-E19 WeakPolarHBondContact O-CG 3.13Å; S15-E19 PolarHBondContact O-N 3.4Å
16	E	87.7	Confident	83.5	Confident	62 Å²	62	82.8 Å²	82.8	29%	0.29	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-44.1	176.4	-72.2	175.7	153.1	0	0	112.5	H12 R13 K18 E19 C20	H12-E16 VanDerWaalsContact CE1-CD 3.5Å; H12-E16 IonicContact CE1-OE1 3.59Å; H12-E16 PolarHBondContact CE1-OE1 3.44Å; H12-E16 IonicContact ND1-OE1 3.74Å; H12-E16 PolarHBondContact ND1-OE1 3.21Å; H12-E16 IonicContact ND1-OE2 3.99Å; H12-E16 WeakPolarHBondContact O-CG 3.43Å; H12-E16 PolarHBondContact O-N 2.86Å; R13-E16 PolarHBondContact O-N 3.15Å; E16-K18 VanDerWaalsContact C-N 3.32Å; E16-K18 PolarHBondContact O-N 3.37Å; E16-E19 PolarHBondContact O-N 3.43Å; E16-C20 PolarHBondContact O-N 3.37Å; E16-C20 PolarHBondContact O-SG 3.35Å; E16-C20 VanDerWaalsContact O-SG 3.34Å
17	I	89.9	Confident	85.5	Confident	14 Å²	14	81.9 Å²	81.9	7%	0.072	41%	0.414	C	S	.	.	H	α-helix	trans	-57.9	-47.6	175.9	-72.2	169.5	0	0	0	109.7	R13 V14 S15 C20 E21 R133 E136 I137	R13-I17 HydrophobicContact CG-CD1 4.03Å; R13-I17 HydrophobicContact CG-CG1 4.41Å; R13-I17 WeakPolarHBondContact O-CB 3.4Å; R13-I17 VanDerWaalsContact O-CG1 3.26Å; R13-I17 WeakPolarHBondContact O-CG1 3.42Å; R13-I17 PolarHBondContact O-N 3.02Å; V14-I17 PolarHBondContact O-N 2.88Å; S15-I17 PolarHBondContact O-N 3.37Å; I17-C20 PolarHBondContact O-N 3.42Å; I17-E21 WeakPolarHBondContact O-CB 3.43Å; I17-E21 WeakPolarHBondContact O-CG 3.27Å; I17-E21 PolarHBondContact O-N 3.24Å; I17-R133 HydrophobicContact CG2-CG 4.26Å; I17-E136 HydrophobicContact CD1-CG 4.46Å; I17-I137 HydrophobicContact CD1-CG1 4.36Å; I17-I137 HydrophobicContact CG2-CD1 4Å; I17-I137 HydrophobicContact CG2-CG1 4.17Å
18	K	90.7	Very high	87.1	Confident	138 Å²	138	80.8 Å²	80.8	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-63.5	-41.2	178.7	-172.8	176.6	-177.8	177.8	0	112.5	V14 S15 E16 E21 N22	V14-K18 PolarHBondContact O-N 3.24Å; S15-K18 PolarHBondContact O-N 2.88Å; E16-K18 VanDerWaalsContact C-N 3.32Å; E16-K18 PolarHBondContact O-N 3.37Å; K18-E21 PolarHBondContact O-N 2.99Å; K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 2.84Å; K18-N22 PolarHBondContact O-ND2 2.94Å
19	E	89.9	Confident	88.5	Confident	87 Å²	87	79.4 Å²	79.4	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-46.3	177.3	-77.3	177.8	-174.9	0	0	111.4	S15 E16 N22 Q23 K441	S15-E19 WeakPolarHBondContact O-CG 3.13Å; S15-E19 PolarHBondContact O-N 3.4Å; E16-E19 PolarHBondContact O-N 3.43Å; E19-N22 WeakPolarHBondContact O-CB 3.32Å; E19-N22 PolarHBondContact O-N 3.39Å; E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 3.06Å; E19-K441 IonicContact OE2-NZ 3.74Å; E19-K441 PolarHBondContact OE2-NZ 3.43Å
20	C	89.1	Confident	89.7	Confident	22 Å²	22	80.8 Å²	80.8	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-73.8	-30.6	-179.3	-61.4	0	0	0	0	112.1	E16 I17 N22 Q23 S24 R133	E16-C20 PolarHBondContact O-N 3.37Å; E16-C20 PolarHBondContact O-SG 3.35Å; E16-C20 VanDerWaalsContact O-SG 3.34Å; I17-C20 PolarHBondContact O-N 3.42Å; C20-N22 VanDerWaalsContact C-N 3.32Å; C20-Q23 PolarHBondContact O-N 3.02Å; C20-S24 WeakPolarHBondContact O-CB 3.21Å; C20-S24 PolarHBondContact O-N 2.95Å; C20-S24 PolarHBondContact O-OG 2.95Å; C20-R133 PolarHBondContact O-NH1 3.32Å
21	E	90.3	Very high	90.9	Very high	78 Å²	78	76.1 Å²	76.1	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-42.4	167	-78.1	-179.8	170.4	0	0	111.9	I17 K18 S24 K25	I17-E21 WeakPolarHBondContact O-CB 3.43Å; I17-E21 WeakPolarHBondContact O-CG 3.27Å; I17-E21 PolarHBondContact O-N 3.24Å; K18-E21 PolarHBondContact O-N 2.99Å; E21-S24 PolarHBondContact O-N 3.46Å; E21-K25 WeakPolarHBondContact O-CG 3.36Å; E21-K25 PolarHBondContact O-N 3.35Å
22	N	93.3	Very high	91.9	Very high	85 Å²	85	75.2 Å²	75.2	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-40.9	174.8	-70.6	-17.9	0	0	0	111.8	K18 E19 C20 K25 F26	K18-N22 VanDerWaalsContact O-CG 3.26Å; K18-N22 PolarHBondContact O-N 2.84Å; K18-N22 PolarHBondContact O-ND2 2.94Å; E19-N22 WeakPolarHBondContact O-CB 3.32Å; E19-N22 PolarHBondContact O-N 3.39Å; C20-N22 VanDerWaalsContact C-N 3.32Å; N22-K25 PolarHBondContact O-N 3.25Å; N22-F26 WeakPolarHBondContact O-CB 3.46Å; N22-F26 PolarHBondContact O-N 3.3Å
23	Q	92.5	Very high	92.6	Very high	104 Å²	104	73.1 Å²	73.1	49%	0.486	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-46.1	174.1	-71.9	175.5	-27.2	0	0	111.8	E19 C20 K25 F26 V27	E19-Q23 WeakPolarHBondContact O-CG 3.37Å; E19-Q23 PolarHBondContact O-N 3.06Å; C20-Q23 PolarHBondContact O-N 3.02Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.94Å; Q23-F26 WeakPolarHBondContact O-CB 3.45Å; Q23-F26 PolarHBondContact O-N 3.22Å; Q23-V27 WeakPolarHBondContact O-CG2 3.38Å; Q23-V27 PolarHBondContact O-N 3.19Å
24	S	93.6	Very high	93.2	Very high	11 Å²	11	70.5 Å²	70.5	8%	0.077	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-39.3	177.6	-66.9	0	0	0	0	111.7	C20 E21 V27 N28 L126 E129	C20-S24 WeakPolarHBondContact O-CB 3.21Å; C20-S24 PolarHBondContact O-N 2.95Å; C20-S24 PolarHBondContact O-OG 2.95Å; E21-S24 PolarHBondContact O-N 3.46Å; S24-V27 PolarHBondContact O-N 3.23Å; S24-N28 WeakPolarHBondContact O-CB 3.4Å; S24-N28 PolarHBondContact O-N 3.01Å; S24-L126 WeakPolarHBondContact O-CD1 3.33Å; S24-E129 PolarHBondContact OG-OE2 3.1Å
25	K	95	Very high	93.8	Very high	140 Å²	140	70.3 Å²	70.3	61%	0.609	34%	0.336	S	S	*	.	H	α-helix	trans	-61.4	-46.5	171.8	-74	175.7	-177	179.4	0	112.1	E21 N22 Q23 N28 Q29	E21-K25 WeakPolarHBondContact O-CG 3.36Å; E21-K25 PolarHBondContact O-N 3.35Å; N22-K25 PolarHBondContact O-N 3.25Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.94Å; K25-N28 PolarHBondContact O-N 2.99Å; K25-Q29 PolarHBondContact O-N 2.96Å
26	F	96.4	Very high	94.3	Very high	144 Å²	144	70.1 Å²	70.1	63%	0.632	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-48.7	176.9	170.8	-95.8	0	0	0	111.8	N22 Q23 N28 Q29 R30	N22-F26 WeakPolarHBondContact O-CB 3.46Å; N22-F26 PolarHBondContact O-N 3.3Å; Q23-F26 WeakPolarHBondContact O-CB 3.45Å; Q23-F26 PolarHBondContact O-N 3.22Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 3.39Å; F26-Q29 PolarHBondContact O-N 3.13Å; F26-R30 VanDerWaalsContact O-CB 3.31Å; F26-R30 WeakPolarHBondContact O-CB 3.4Å; F26-R30 PolarHBondContact O-N 2.89Å
27	V	96.3	Very high	94.7	Very high	15 Å²	15	73.8 Å²	73.8	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-44.5	177.3	170.8	0	0	0	0	110.8	Q23 S24 Q29 R30 V31 I122 L126 L173 V177	Q23-V27 WeakPolarHBondContact O-CG2 3.38Å; Q23-V27 PolarHBondContact O-N 3.19Å; S24-V27 PolarHBondContact O-N 3.23Å; V27-Q29 PolarHBondContact O-N 2.91Å; V27-R30 PolarHBondContact O-N 3.28Å; V27-V31 HydrophobicContact CG1-CG2 4.11Å; V27-V31 WeakPolarHBondContact O-CB 3.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.41Å; V27-V31 PolarHBondContact O-N 3.43Å; V27-I122 HydrophobicContact CG1-CG2 4.22Å; V27-L126 HydrophobicContact CG1-CD1 4.46Å; V27-L173 HydrophobicContact CG1-CD1 4.39Å; V27-V177 HydrophobicContact CB-CG2 4.44Å; V27-V177 HydrophobicContact CG1-CG2 3.49Å; V27-V177 VanDerWaalsContact CG1-CG2 3.49Å; V27-V177 HydrophobicContact CG2-CG1 4.23Å; V27-V177 HydrophobicContact CG2-CG2 4.01Å
28	N	96.5	Very high	95.1	Very high	79 Å²	79	73.8 Å²	73.8	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-49.3	179.7	-165.9	33.4	0	0	0	111.8	S24 K25 F26 R30 V31 H32 L126	S24-N28 WeakPolarHBondContact O-CB 3.4Å; S24-N28 PolarHBondContact O-N 3.01Å; K25-N28 PolarHBondContact O-N 2.99Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 3.39Å; N28-R30 VanDerWaalsContact C-N 3.34Å; N28-R30 PolarHBondContact O-N 2.77Å; N28-V31 PolarHBondContact O-N 3.48Å; N28-H32 WeakPolarHBondContact O-CB 3.44Å; N28-H32 PolarHBondContact O-N 3.27Å; N28-L126 HydrophobicContact CB-CD2 3.53Å; N28-L126 WeakPolarHBondContact OD1-CD2 3.33Å
29	Q	97.5	Very high	95.4	Very high	103 Å²	103	69.1 Å²	69.1	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-46.9	178	-177.8	58.2	31.6	0	0	110.9	K25 F26 V27 V31 H32 E33	K25-Q29 PolarHBondContact O-N 2.96Å; F26-Q29 PolarHBondContact O-N 3.13Å; V27-Q29 PolarHBondContact O-N 2.91Å; Q29-V31 PolarHBondContact O-N 3.41Å; Q29-H32 PolarHBondContact O-N 2.8Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.43Å; Q29-E33 PolarHBondContact NE2-OE1 3.45Å; Q29-E33 WeakPolarHBondContact O-CG 3.28Å; Q29-E33 PolarHBondContact O-N 2.68Å
30	R	97.3	Very high	95.8	Very high	85 Å²	85	69.8 Å²	69.8	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-45.4	179.6	-179.2	53.7	171.3	-179.3	-8.3	112.6	F26 V27 N28 H32 E33 I34 E181	F26-R30 VanDerWaalsContact O-CB 3.31Å; F26-R30 WeakPolarHBondContact O-CB 3.4Å; F26-R30 PolarHBondContact O-N 2.89Å; V27-R30 PolarHBondContact O-N 3.28Å; N28-R30 VanDerWaalsContact C-N 3.34Å; N28-R30 PolarHBondContact O-N 2.77Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-E33 PolarHBondContact O-N 3.35Å; R30-I34 HydrophobicContact CG-CD1 3.93Å; R30-I34 WeakPolarHBondContact O-CD1 3.5Å; R30-I34 VanDerWaalsContact O-CG1 3.23Å; R30-I34 WeakPolarHBondContact O-CG1 3.32Å; R30-I34 PolarHBondContact O-N 3.03Å; R30-I34 VanDerWaalsContact O-N 3.11Å; R30-E181 IonicContact CZ-OE1 3.07Å; R30-E181 IonicContact NE-OE1 3.38Å; R30-E181 IonicContact NH2-OE1 2.66Å; R30-E181 PolarHBondContact NH2-OE1 3.41Å
31	V	96.4	Very high	96.2	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-38.5	179.2	171.1	0	0	0	0	110.8	V27 N28 Q29 I34 E35 I119 I122 K123	V27-V31 HydrophobicContact CG1-CG2 4.11Å; V27-V31 WeakPolarHBondContact O-CB 3.43Å; V27-V31 WeakPolarHBondContact O-CG2 3.41Å; V27-V31 PolarHBondContact O-N 3.43Å; N28-V31 PolarHBondContact O-N 3.48Å; Q29-V31 PolarHBondContact O-N 3.41Å; V31-I34 PolarHBondContact O-N 3.29Å; V31-E35 WeakPolarHBondContact O-CB 3.39Å; V31-E35 PolarHBondContact O-N 3.16Å; V31-I119 HydrophobicContact CG1-CG2 3.76Å; V31-I122 HydrophobicContact CG2-CB 4.37Å; V31-I122 HydrophobicContact CG2-CD1 4.5Å; V31-I122 HydrophobicContact CG2-CG2 3.64Å; V31-K123 HydrophobicContact CG1-CG 4.02Å
32	H	97.4	Very high	96.6	Very high	96 Å²	96	69 Å²	69	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-45.9	176.6	-176.9	52.6	0	0	0	112.3	N28 Q29 R30 I34 E35 T36	N28-H32 WeakPolarHBondContact O-CB 3.44Å; N28-H32 PolarHBondContact O-N 3.27Å; Q29-H32 PolarHBondContact O-N 2.8Å; R30-H32 VanDerWaalsContact C-N 3.33Å; H32-I34 VanDerWaalsContact C-N 3.34Å; H32-I34 PolarHBondContact O-N 2.9Å; H32-E35 IonicContact ND1-OE2 3.08Å; H32-E35 WeakPolarHBondContact O-CB 3.48Å; H32-E35 PolarHBondContact O-N 3.29Å; H32-T36 PolarHBondContact O-N 2.98Å; H32-T36 PolarHBondContact O-OG1 2.86Å; H32-T36 VanDerWaalsContact O-OG1 3.13Å
33	E	97.7	Very high	96.8	Very high	72 Å²	72	68.4 Å²	68.4	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-45.5	175.3	-73.3	168.5	-166.9	0	0	112	Q29 R30 E35 T36 F37	Q29-E33 WeakPolarHBondContact CG-OE1 3.43Å; Q29-E33 PolarHBondContact NE2-OE1 3.45Å; Q29-E33 WeakPolarHBondContact O-CG 3.28Å; Q29-E33 PolarHBondContact O-N 2.68Å; R30-E33 PolarHBondContact O-N 3.35Å; E33-E35 VanDerWaalsContact C-N 3.33Å; E33-E35 PolarHBondContact O-N 3.39Å; E33-T36 PolarHBondContact O-N 3.41Å; E33-F37 WeakPolarHBondContact O-CD2 3.46Å; E33-F37 PolarHBondContact O-N 3.4Å
34	I	97.1	Very high	97.1	Very high	4 Å²	4	69 Å²	69	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.8	-68.7	164.6	0	0	0	111	R30 V31 H32 T36 F37 F38 I119 F180	R30-I34 HydrophobicContact CG-CD1 3.93Å; R30-I34 WeakPolarHBondContact O-CD1 3.5Å; R30-I34 VanDerWaalsContact O-CG1 3.23Å; R30-I34 WeakPolarHBondContact O-CG1 3.32Å; R30-I34 PolarHBondContact O-N 3.03Å; R30-I34 VanDerWaalsContact O-N 3.11Å; V31-I34 PolarHBondContact O-N 3.29Å; H32-I34 VanDerWaalsContact C-N 3.34Å; H32-I34 PolarHBondContact O-N 2.9Å; I34-T36 VanDerWaalsContact C-N 3.35Å; I34-F37 PolarHBondContact O-N 3.04Å; I34-F38 HydrophobicContact CG2-CD1 4.21Å; I34-F38 HydrophobicContact CG2-CE1 4.32Å; I34-F38 HydrophobicContact CG2-CG 4.32Å; I34-F38 VanDerWaalsContact O-CB 3.32Å; I34-F38 WeakPolarHBondContact O-CB 3.45Å; I34-F38 PolarHBondContact O-N 3.38Å; I34-I119 HydrophobicContact CG2-CD1 4.18Å; I34-F180 HydrophobicContact CD1-CE1 3.9Å; I34-F180 HydrophobicContact CG2-CE1 4.47Å; I34-F180 HydrophobicContact CG2-CZ 4.08Å
35	E	97.3	Very high	97.3	Very high	68 Å²	68	69.2 Å²	69.2	32%	0.318	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-45.4	176.9	-174.8	-179.1	-133.4	0	0	111.8	V31 H32 E33 G39 I119 K123	V31-E35 WeakPolarHBondContact O-CB 3.39Å; V31-E35 PolarHBondContact O-N 3.16Å; H32-E35 IonicContact ND1-OE2 3.08Å; H32-E35 WeakPolarHBondContact O-CB 3.48Å; H32-E35 PolarHBondContact O-N 3.29Å; E33-E35 VanDerWaalsContact C-N 3.33Å; E33-E35 PolarHBondContact O-N 3.39Å; E35-G39 PolarHBondContact O-N 3.34Å; E35-I119 HydrophobicContact CB-CD1 4.02Å; E35-I119 HydrophobicContact CB-CG2 4.05Å; E35-I119 HydrophobicContact CG-CD1 4.43Å; E35-I119 HydrophobicContact CG-CG2 4.1Å; E35-K123 IonicContact OE1-NZ 2.68Å; E35-K123 PolarHBondContact OE1-NZ 2.98Å; E35-K123 WeakPolarHBondContact OE2-CE 3.46Å; E35-K123 IonicContact OE2-NZ 2.79Å; E35-K123 PolarHBondContact OE2-NZ 3.41Å
36	T	97.9	Very high	97.5	Very high	60 Å²	60	65.3 Å²	65.3	37%	0.368	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-50.6	176.7	-58.3	0	0	0	0	111.4	H32 E33 I34 F38 G39 N40	H32-T36 PolarHBondContact O-N 2.98Å; H32-T36 PolarHBondContact O-OG1 2.86Å; H32-T36 VanDerWaalsContact O-OG1 3.13Å; E33-T36 PolarHBondContact O-N 3.41Å; I34-T36 VanDerWaalsContact C-N 3.35Å; T36-F38 PolarHBondContact O-N 3.42Å; T36-G39 PolarHBondContact O-N 3.49Å; T36-N40 WeakPolarHBondContact O-CB 3.49Å; T36-N40 PolarHBondContact O-N 3.38Å; T36-N40 PolarHBondContact O-OD1 2.98Å
37	F	97.4	Very high	97.6	Very high	140 Å²	140	59.1 Å²	59.1	61%	0.614	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-43.1	-179.8	-75.6	-60.7	0	0	0	112.8	E33 I34 L41	E33-F37 WeakPolarHBondContact O-CD2 3.46Å; E33-F37 PolarHBondContact O-N 3.4Å; I34-F37 PolarHBondContact O-N 3.04Å; F37-L41 VanDerWaalsContact O-CB 3.24Å; F37-L41 WeakPolarHBondContact O-CB 3.39Å; F37-L41 PolarHBondContact O-N 3.27Å
38	F	97.6	Very high	97.7	Very high	14 Å²	14	62.3 Å²	62.3	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-71	-35.9	-179.6	-81.4	31.3	0	0	0	111.2	I34 T36 C42 L112 Y115 R184 L188	I34-F38 HydrophobicContact CG2-CD1 4.21Å; I34-F38 HydrophobicContact CG2-CE1 4.32Å; I34-F38 HydrophobicContact CG2-CG 4.32Å; I34-F38 VanDerWaalsContact O-CB 3.32Å; I34-F38 WeakPolarHBondContact O-CB 3.45Å; I34-F38 PolarHBondContact O-N 3.38Å; T36-F38 PolarHBondContact O-N 3.42Å; F38-C42 WeakPolarHBondContact O-CB 3.39Å; F38-C42 PolarHBondContact O-N 3.03Å; F38-L112 HydrophobicContact CB-CD1 4.21Å; F38-L112 HydrophobicContact CD1-CD1 4.38Å; F38-L112 HydrophobicContact CD2-CD1 3.6Å; F38-L112 HydrophobicContact CE2-CD1 3.97Å; F38-L112 HydrophobicContact CG-CD1 3.83Å; F38-L112 HydrophobicContact CZ-CD1 4.49Å; F38-Y115 AromaticContact CD2-CD2 3.9Å; F38-Y115 HydrophobicContact CD2-CD2 3.9Å; F38-Y115 AromaticContact CD2-CG 3.8Å; F38-Y115 HydrophobicContact CD2-CG 3.8Å; F38-Y115 HydrophobicContact CE2-CD1 4.05Å; F38-Y115 AromaticContact CE2-CD2 3.54Å; F38-Y115 HydrophobicContact CE2-CD2 3.54Å; F38-Y115 HydrophobicContact CE2-CE1 4.44Å; F38-Y115 AromaticContact CE2-CE2 3.96Å; F38-Y115 HydrophobicContact CE2-CE2 3.96Å; F38-Y115 AromaticContact CE2-CG 3.58Å; F38-Y115 HydrophobicContact CE2-CG 3.58Å; F38-R184 HydrophobicContact CE2-CG 4.09Å; F38-R184 HydrophobicContact CZ-CG 3.66Å; F38-L188 HydrophobicContact CE1-CD1 4.27Å; F38-L188 HydrophobicContact CZ-CB 4.48Å; F38-L188 HydrophobicContact CZ-CD1 4.31Å
39	G	97.4	Very high	97.7	Very high	40 Å²	40	59.1 Å²	59.1	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-51.7	173	0	0	0	0	0	112	E35 T36 L41 C42 S43	E35-G39 PolarHBondContact O-N 3.34Å; T36-G39 PolarHBondContact O-N 3.49Å; G39-L41 PolarHBondContact O-N 2.71Å; G39-C42 PolarHBondContact O-N 2.78Å; G39-S43 PolarHBondContact O-N 3.1Å
40	N	98.2	Very high	97.8	Very high	101 Å²	101	60.8 Å²	60.8	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-48.4	177.8	-67.5	-3.2	0	0	0	111.3	T36 C42 S43 E44	T36-N40 WeakPolarHBondContact O-CB 3.49Å; T36-N40 PolarHBondContact O-N 3.38Å; T36-N40 PolarHBondContact O-OD1 2.98Å; N40-C42 VanDerWaalsContact C-N 3.31Å; N40-C42 PolarHBondContact O-N 2.92Å; N40-S43 PolarHBondContact O-N 3.19Å; N40-E44 PolarHBondContact O-N 2.66Å
41	L	97.8	Very high	97.8	Very high	58 Å²	58	64.5 Å²	64.5	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-40.1	178.7	-178.5	62.1	0	0	0	111.9	F37 G39 L45 L112 I192	F37-L41 VanDerWaalsContact O-CB 3.24Å; F37-L41 WeakPolarHBondContact O-CB 3.39Å; F37-L41 PolarHBondContact O-N 3.27Å; G39-L41 PolarHBondContact O-N 2.71Å; L41-L45 HydrophobicContact CD1-CD1 4.05Å; L41-L45 HydrophobicContact CD1-CG 4.31Å; L41-L45 HydrophobicContact CG-CD1 3.91Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 WeakPolarHBondContact O-CD1 3.35Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.57Å; L41-L112 HydrophobicContact CB-CD2 3.98Å; L41-L112 HydrophobicContact CD2-CD1 4.34Å; L41-L112 HydrophobicContact CD2-CD2 3.8Å; L41-L112 HydrophobicContact CG-CD2 3.64Å; L41-I192 HydrophobicContact CD2-CD1 4.36Å
42	C	97.3	Very high	97.9	Very high	24 Å²	24	65 Å²	65	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-43.2	177	-169.2	0	0	0	0	111.7	F38 G39 N40 L45 V46 L112	F38-C42 WeakPolarHBondContact O-CB 3.39Å; F38-C42 PolarHBondContact O-N 3.03Å; G39-C42 PolarHBondContact O-N 2.78Å; N40-C42 VanDerWaalsContact C-N 3.31Å; N40-C42 PolarHBondContact O-N 2.92Å; C42-L45 PolarHBondContact O-N 2.97Å; C42-V46 VanDerWaalsContact O-CG2 3.27Å; C42-V46 WeakPolarHBondContact O-CG2 3.26Å; C42-V46 PolarHBondContact O-N 3.27Å; C42-L112 HydrophobicContact CB-CD2 3.83Å; C42-L112 HydrophobicContact CB-CG 4.22Å
43	S	98	Very high	98	Very high	74 Å²	74	61.8 Å²	61.8	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-58.2	-48.3	176.1	-173.5	0	0	0	0	111.5	G39 N40 V46 S47	G39-S43 PolarHBondContact O-N 3.1Å; N40-S43 PolarHBondContact O-N 3.19Å; S43-V46 PolarHBondContact O-N 2.9Å; S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 3.01Å
44	E	98.5	Very high	98	Very high	117 Å²	117	63.5 Å²	63.5	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-42.8	178.5	-71.8	-52.4	133.1	0	0	112.4	N40 V46 S47 Y48	N40-E44 PolarHBondContact O-N 2.66Å; E44-V46 PolarHBondContact O-N 3.48Å; E44-S47 WeakPolarHBondContact O-CB 3.26Å; E44-S47 PolarHBondContact O-N 3.28Å; E44-Y48 VanDerWaalsContact O-CB 3.32Å; E44-Y48 WeakPolarHBondContact O-CB 3.45Å; E44-Y48 PolarHBondContact O-N 3.24Å
45	L	98.3	Very high	98.1	Very high	14 Å²	14	67.4 Å²	67.4	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-35.5	177.8	-74.5	166.6	0	0	0	112.8	L41 C42 Y48 T49 V108 V109 L112 F195	L41-L45 HydrophobicContact CD1-CD1 4.05Å; L41-L45 HydrophobicContact CD1-CG 4.31Å; L41-L45 HydrophobicContact CG-CD1 3.91Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 WeakPolarHBondContact O-CD1 3.35Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.57Å; C42-L45 PolarHBondContact O-N 2.97Å; L45-Y48 WeakPolarHBondContact O-CB 3.4Å; L45-Y48 PolarHBondContact O-N 3.28Å; L45-T49 WeakPolarHBondContact O-CG2 3.44Å; L45-T49 PolarHBondContact O-N 3.34Å; L45-T49 PolarHBondContact O-OG1 3.44Å; L45-V108 HydrophobicContact CD1-CG1 3.63Å; L45-V108 HydrophobicContact CD2-CG1 4.25Å; L45-V109 HydrophobicContact CB-CG2 4.04Å; L45-L112 HydrophobicContact CD1-CD2 3.87Å; L45-F195 HydrophobicContact CD2-CD2 4.1Å; L45-F195 HydrophobicContact CD2-CE2 3.94Å; L45-F195 HydrophobicContact CD2-CZ 4.42Å
46	V	98.4	Very high	98.1	Very high	59 Å²	59	66.5 Å²	66.5	36%	0.358	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-48.1	172.6	170.4	0	0	0	0	110.1	C42 S43 E44 Y48 T49 R50 V109	C42-V46 VanDerWaalsContact O-CG2 3.27Å; C42-V46 WeakPolarHBondContact O-CG2 3.26Å; C42-V46 PolarHBondContact O-N 3.27Å; S43-V46 PolarHBondContact O-N 2.9Å; E44-V46 PolarHBondContact O-N 3.48Å; V46-Y48 VanDerWaalsContact C-N 3.29Å; V46-Y48 PolarHBondContact O-N 3.45Å; V46-T49 PolarHBondContact O-N 2.68Å; V46-T49 PolarHBondContact O-OG1 3.37Å; V46-R50 PolarHBondContact O-N 3.46Å; V46-V109 HydrophobicContact CG2-CG1 3.61Å; V46-V109 HydrophobicContact CG2-CG2 4.46Å
47	S	98.5	Very high	98.2	Very high	13 Å²	13	67.5 Å²	67.5	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-44.3	175.4	-174.3	0	0	0	0	111.7	S43 E44 R50 R51	S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 3.01Å; E44-S47 WeakPolarHBondContact O-CB 3.26Å; E44-S47 PolarHBondContact O-N 3.28Å; S47-R50 PolarHBondContact O-N 3.43Å; S47-R51 WeakPolarHBondContact O-CG 3.27Å; S47-R51 PolarHBondContact O-N 2.94Å
48	Y	98.4	Very high	98.2	Very high	82 Å²	82	65.6 Å²	65.6	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-55.2	-54.6	174.3	-177.9	-96.5	0	0	0	111.3	E44 L45 V46 R50 R51 T52 I104 F195 E199	E44-Y48 VanDerWaalsContact O-CB 3.32Å; E44-Y48 WeakPolarHBondContact O-CB 3.45Å; E44-Y48 PolarHBondContact O-N 3.24Å; L45-Y48 WeakPolarHBondContact O-CB 3.4Å; L45-Y48 PolarHBondContact O-N 3.28Å; V46-Y48 VanDerWaalsContact C-N 3.29Å; V46-Y48 PolarHBondContact O-N 3.45Å; Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 3.07Å; Y48-R51 PolarHBondContact O-N 3.49Å; Y48-T52 PolarHBondContact O-N 2.91Å; Y48-T52 PolarHBondContact O-OG1 3.26Å; Y48-I104 HydrophobicContact CD1-CD1 4.2Å; Y48-I104 HydrophobicContact CE1-CD1 3.7Å; Y48-F195 HydrophobicContact CD1-CE2 4.44Å; Y48-F195 HydrophobicContact CE1-CE2 4.12Å; Y48-F195 HydrophobicContact CE1-CZ 4.41Å; Y48-E199 VanDerWaalsContact CE1-OE1 3.28Å; Y48-E199 WeakPolarHBondContact CE1-OE1 3.07Å; Y48-E199 PolarHBondContact OH-OE1 2.91Å; Y48-E199 PolarHBondContact OH-OE2 3.27Å
49	T	98.3	Very high	98.2	Very high	13 Å²	13	65.2 Å²	65.2	8%	0.08	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-36	179.8	57.6	0	0	0	0	113.6	L45 V46 S53 I104 V105 V109	L45-T49 WeakPolarHBondContact O-CG2 3.44Å; L45-T49 PolarHBondContact O-N 3.34Å; L45-T49 PolarHBondContact O-OG1 3.44Å; V46-T49 PolarHBondContact O-N 2.68Å; V46-T49 PolarHBondContact O-OG1 3.37Å; T49-S53 WeakPolarHBondContact O-CB 3.42Å; T49-S53 PolarHBondContact O-N 3.17Å; T49-S53 PolarHBondContact O-OG 3.42Å; T49-I104 HydrophobicContact CG2-CB 3.89Å; T49-I104 HydrophobicContact CG2-CG2 3.39Å; T49-V105 HydrophobicContact CG2-CG2 4.03Å; T49-V109 HydrophobicContact CG2-CG2 4.42Å
50	R	98.4	Very high	98.3	Very high	137 Å²	137	66.3 Å²	66.3	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-46.8	175.4	-174.5	176.5	65.7	-126.9	1.8	111.5	V46 S47 Y48 S53 K54	V46-R50 PolarHBondContact O-N 3.46Å; S47-R50 PolarHBondContact O-N 3.43Å; Y48-R50 VanDerWaalsContact C-N 3.3Å; Y48-R50 PolarHBondContact O-N 3.07Å; R50-S53 WeakPolarHBondContact O-CB 3.39Å; R50-S53 PolarHBondContact O-N 2.91Å; R50-K54 PolarHBondContact O-N 3.06Å
51	R	98.5	Very high	98.3	Very high	164 Å²	164	65.5 Å²	65.5	62%	0.619	32%	0.321	S	S	*	.	H	α-helix	trans	-63	-41.9	176.7	-71.6	176.1	-179.8	162.6	1.3	111.5	S47 Y48 S53 K54 L55	S47-R51 WeakPolarHBondContact O-CG 3.27Å; S47-R51 PolarHBondContact O-N 2.94Å; Y48-R51 PolarHBondContact O-N 3.49Å; R51-S53 VanDerWaalsContact C-N 3.3Å; R51-S53 PolarHBondContact O-N 3.38Å; R51-K54 PolarHBondContact O-N 3.03Å; R51-L55 PolarHBondContact O-N 2.93Å
52	T	98.3	Very high	98.4	Very high	14 Å²	14	66.5 Å²	66.5	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-35.1	175	-55.3	0	0	0	0	111.8	Y48 L55 R56 R97 I101	Y48-T52 PolarHBondContact O-N 2.91Å; Y48-T52 PolarHBondContact O-OG1 3.26Å; T52-L55 PolarHBondContact O-N 2.88Å; T52-R56 PolarHBondContact O-N 2.84Å; T52-R97 HydrophobicContact CG2-CG 3.83Å; T52-I101 HydrophobicContact CG2-CD1 4.03Å; T52-I101 HydrophobicContact CG2-CG1 3.76Å
53	S	98.5	Very high	98.4	Very high	29 Å²	29	65.5 Å²	65.5	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-40.7	173	-58.6	0	0	0	0	112.6	T49 R50 R51 L55 R56 N57 I101	T49-S53 WeakPolarHBondContact O-CB 3.42Å; T49-S53 PolarHBondContact O-N 3.17Å; T49-S53 PolarHBondContact O-OG 3.42Å; R50-S53 WeakPolarHBondContact O-CB 3.39Å; R50-S53 PolarHBondContact O-N 2.91Å; R51-S53 VanDerWaalsContact C-N 3.3Å; R51-S53 PolarHBondContact O-N 3.38Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-R56 WeakPolarHBondContact O-CB 3.43Å; S53-R56 PolarHBondContact O-N 2.93Å; S53-N57 VanDerWaalsContact O-CG 3.29Å; S53-N57 PolarHBondContact O-N 3.47Å; S53-N57 VanDerWaalsContact O-N 3.11Å; S53-N57 PolarHBondContact O-OD1 2.97Å; S53-I101 WeakPolarHBondContact OG-CD1 3.27Å
54	K	98.6	Very high	98.5	Very high	108 Å²	108	67.9 Å²	67.9	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-41.8	172.4	-68.6	-170.5	176.6	-166.7	0	110.9	R50 R51 R56 N57 N58	R50-K54 PolarHBondContact O-N 3.06Å; R51-K54 PolarHBondContact O-N 3.03Å; K54-R56 VanDerWaalsContact C-N 3.35Å; K54-R56 PolarHBondContact O-N 2.98Å; K54-N57 WeakPolarHBondContact O-CB 3.41Å; K54-N57 PolarHBondContact O-N 2.92Å; K54-N58 PolarHBondContact O-N 3.46Å; K54-N58 VanDerWaalsContact O-N 3.14Å
55	L	98.3	Very high	98.5	Very high	87 Å²	87	66.3 Å²	66.3	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-39.5	175.7	-177.3	56.5	0	0	0	112.4	R51 T52 S53 N58 G59	R51-L55 PolarHBondContact O-N 2.93Å; T52-L55 PolarHBondContact O-N 2.88Å; S53-L55 VanDerWaalsContact C-N 3.34Å; L55-N58 PolarHBondContact O-N 3.17Å; L55-G59 PolarHBondContact O-N 3.4Å; L55-G59 VanDerWaalsContact O-N 3.1Å
56	R	98.4	Very high	98.5	Very high	48 Å²	48	67.3 Å²	67.3	18%	0.181	32%	0.317	C	S	.	.	H	α-helix	trans	-56.5	-49.9	171.9	-175.7	-157.1	60.4	-142.4	-12.7	111.4	T52 S53 K54 N58 G59 D60 E94 R97 N98 I101	T52-R56 PolarHBondContact O-N 2.84Å; S53-R56 WeakPolarHBondContact O-CB 3.43Å; S53-R56 PolarHBondContact O-N 2.93Å; K54-R56 VanDerWaalsContact C-N 3.35Å; K54-R56 PolarHBondContact O-N 2.98Å; R56-N58 PolarHBondContact O-N 3.41Å; R56-G59 WeakPolarHBondContact O-CA 3.42Å; R56-G59 PolarHBondContact O-N 3.13Å; R56-D60 IonicContact NE-OD2 3.06Å; R56-D60 PolarHBondContact O-N 3.36Å; R56-E94 VanDerWaalsContact CA-OE2 3.32Å; R56-E94 WeakPolarHBondContact CA-OE2 3.31Å; R56-E94 HydrophobicContact CG-CB 3.98Å; R56-R97 HydrophobicContact CG-CB 4.48Å; R56-N98 PolarHBondContact NH1-OD1 3.4Å; R56-I101 HydrophobicContact CB-CD1 4.41Å
57	N	98.5	Very high	98.5	Very high	81 Å²	81	67.8 Å²	67.8	43%	0.433	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-38	-179.9	-64	-11.1	0	0	0	112	S53 K54 G59 D60 E61	S53-N57 VanDerWaalsContact O-CG 3.29Å; S53-N57 PolarHBondContact O-N 3.47Å; S53-N57 VanDerWaalsContact O-N 3.11Å; S53-N57 PolarHBondContact O-OD1 2.97Å; K54-N57 WeakPolarHBondContact O-CB 3.41Å; K54-N57 PolarHBondContact O-N 2.92Å; N57-G59 VanDerWaalsContact C-N 3.34Å; N57-D60 PolarHBondContact O-N 2.93Å; N57-E61 PolarHBondContact O-N 3.24Å
58	N	98.4	Very high	98.5	Very high	101 Å²	101	70 Å²	70	54%	0.54	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-39.3	174.6	-67	-6.7	0	0	0	111.7	K54 L55 R56 E61 I62	K54-N58 PolarHBondContact O-N 3.46Å; K54-N58 VanDerWaalsContact O-N 3.14Å; L55-N58 PolarHBondContact O-N 3.17Å; R56-N58 PolarHBondContact O-N 3.41Å; N58-E61 PolarHBondContact O-N 2.97Å; N58-I62 WeakPolarHBondContact O-CG1 3.49Å; N58-I62 PolarHBondContact O-N 3.16Å
59	G	98.3	Very high	98.5	Very high	5 Å²	5	71.5 Å²	71.5	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-41.7	174.1	0	0	0	0	0	112.9	L55 R56 N57 E61 I62 A63	L55-G59 PolarHBondContact O-N 3.4Å; L55-G59 VanDerWaalsContact O-N 3.1Å; R56-G59 WeakPolarHBondContact O-CA 3.42Å; R56-G59 PolarHBondContact O-N 3.13Å; N57-G59 VanDerWaalsContact C-N 3.34Å; G59-E61 VanDerWaalsContact C-N 3.3Å; G59-E61 PolarHBondContact O-N 2.98Å; G59-I62 PolarHBondContact O-N 3.32Å; G59-A63 PolarHBondContact O-N 3.14Å
60	D	98.5	Very high	98.5	Very high	63 Å²	63	70.9 Å²	70.9	34%	0.337	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-40.5	174.3	-73.6	-34.3	0	0	0	111.2	R56 N57 A63 R64 E94	R56-D60 IonicContact NE-OD2 3.06Å; R56-D60 PolarHBondContact O-N 3.36Å; N57-D60 PolarHBondContact O-N 2.93Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 3.45Å; D60-R64 WeakPolarHBondContact O-CB 3.23Å; D60-R64 PolarHBondContact O-N 3Å; D60-E94 WeakPolarHBondContact OD1-CB 3.23Å
61	E	98.7	Very high	98.4	Very high	85 Å²	85	68.7 Å²	68.7	40%	0.397	33%	0.328	S	S	.	.	H	α-helix	trans	-67.5	-39.9	177.3	-178.6	59.2	-170.1	0	0	112.2	N57 N58 G59 A63 R64 I65	N57-E61 PolarHBondContact O-N 3.24Å; N58-E61 PolarHBondContact O-N 2.97Å; G59-E61 VanDerWaalsContact C-N 3.3Å; G59-E61 PolarHBondContact O-N 2.98Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 3.01Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 IonicContact OE1-CZ 3.82Å; E61-R64 IonicContact OE1-NE 2.71Å; E61-R64 PolarHBondContact OE1-NE 2.95Å; E61-R64 IonicContact OE1-NH2 2.57Å; E61-R64 PolarHBondContact OE1-NH2 3.38Å; E61-R64 IonicContact OE2-CZ 3.8Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 3.39Å; E61-R64 IonicContact OE2-NH2 3.73Å; E61-I65 HydrophobicContact CG-CD1 4.09Å; E61-I65 WeakPolarHBondContact O-CG1 3.42Å; E61-I65 PolarHBondContact O-N 3.32Å
62	I	98.6	Very high	98.4	Very high	79 Å²	79	67.6 Å²	67.6	41%	0.405	33%	0.328	S	S	.	.	H	α-helix	trans	-58.7	-48.1	171.5	-69.6	164.8	0	0	0	110	N58 G59 R64 I65 L66 F90	N58-I62 WeakPolarHBondContact O-CG1 3.49Å; N58-I62 PolarHBondContact O-N 3.16Å; G59-I62 PolarHBondContact O-N 3.32Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.43Å; I62-I65 PolarHBondContact O-N 3.46Å; I62-L66 HydrophobicContact CG2-CD1 3.86Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.35Å; I62-L66 PolarHBondContact O-N 3.39Å; I62-F90 HydrophobicContact CB-CD1 4.42Å; I62-F90 HydrophobicContact CG2-CD1 3.89Å; I62-F90 HydrophobicContact CG2-CE1 3.86Å; I62-F90 HydrophobicContact CG2-CZ 4.47Å
63	A	98.7	Very high	98.3	Very high	2 Å²	2	68 Å²	68	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-43.9	178.4	0	0	0	0	0	111.4	G59 D60 E61 L66 L67 S87 F90 V91	G59-A63 PolarHBondContact O-N 3.14Å; D60-A63 WeakPolarHBondContact O-CB 3.49Å; D60-A63 PolarHBondContact O-N 3.45Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 3.01Å; A63-L66 PolarHBondContact O-N 3.45Å; A63-L67 PolarHBondContact O-N 2.91Å; A63-S87 WeakPolarHBondContact O-CB 3.43Å; A63-S87 PolarHBondContact O-OG 3.46Å; A63-F90 HydrophobicContact CB-CB 3.77Å; A63-V91 HydrophobicContact CB-CG2 3.77Å
64	R	98.7	Very high	98	Very high	124 Å²	124	73.7 Å²	73.7	47%	0.468	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-46.4	178.2	-169.9	-158.4	64.5	68.2	-2.2	112.2	D60 E61 I62 L67 D68	D60-R64 WeakPolarHBondContact O-CB 3.23Å; D60-R64 PolarHBondContact O-N 3Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 IonicContact OE1-CZ 3.82Å; E61-R64 IonicContact OE1-NE 2.71Å; E61-R64 PolarHBondContact OE1-NE 2.95Å; E61-R64 IonicContact OE1-NH2 2.57Å; E61-R64 PolarHBondContact OE1-NH2 3.38Å; E61-R64 IonicContact OE2-CZ 3.8Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 3.39Å; E61-R64 IonicContact OE2-NH2 3.73Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 3.43Å; R64-L67 PolarHBondContact O-N 3.39Å; R64-D68 WeakPolarHBondContact O-CB 3.49Å; R64-D68 PolarHBondContact O-N 2.94Å
65	I	98.7	Very high	97.8	Very high	85 Å²	85	71.1 Å²	71.1	44%	0.436	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-44.4	178.9	-68.7	167.5	0	0	0	110.5	E61 I62 L67 D68 Y69	E61-I65 HydrophobicContact CG-CD1 4.09Å; E61-I65 WeakPolarHBondContact O-CG1 3.42Å; E61-I65 PolarHBondContact O-N 3.32Å; I62-I65 PolarHBondContact O-N 3.46Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 2.9Å; I65-D68 PolarHBondContact O-N 2.87Å; I65-Y69 WeakPolarHBondContact O-CB 3.41Å; I65-Y69 PolarHBondContact O-N 3.2Å
66	L	98.5	Very high	97.6	Very high	35 Å²	35	68.6 Å²	68.6	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-61.4	-40.8	177.9	-71	171.8	0	0	0	112.2	I62 A63 Y69 S70 L83 V86	I62-L66 HydrophobicContact CG2-CD1 3.86Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.35Å; I62-L66 PolarHBondContact O-N 3.39Å; A63-L66 PolarHBondContact O-N 3.45Å; L66-Y69 PolarHBondContact O-N 2.61Å; L66-S70 WeakPolarHBondContact O-CB 3.49Å; L66-S70 PolarHBondContact O-N 2.88Å; L66-L83 HydrophobicContact CD2-CD2 3.87Å; L66-V86 HydrophobicContact CD1-CG1 3.82Å
67	L	98.6	Very high	97.4	Very high	68 Å²	68	74.2 Å²	74.2	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-43.6	176.3	-174.7	58.3	0	0	0	111.9	A63 R64 I65 Y69 S70 N71 R84 S87	A63-L67 PolarHBondContact O-N 2.91Å; R64-L67 PolarHBondContact O-N 3.39Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 2.9Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-S70 WeakPolarHBondContact O-CB 3.32Å; L67-S70 PolarHBondContact O-N 3.48Å; L67-N71 WeakPolarHBondContact O-CB 3.23Å; L67-N71 VanDerWaalsContact O-CG 3.23Å; L67-N71 PolarHBondContact O-N 3.42Å; L67-N71 PolarHBondContact O-ND2 3.37Å; L67-N71 VanDerWaalsContact O-ND2 3.11Å; L67-R84 HydrophobicContact CD1-CG 4.12Å; L67-S87 WeakPolarHBondContact CB-OG 3.44Å
68	D	98.6	Very high	97.4	Very high	60 Å²	60	72.1 Å²	72.1	32%	0.321	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-41	176.8	-175.7	51.8	0	0	0	111.3	R64 I65 N71 K72	R64-D68 WeakPolarHBondContact O-CB 3.49Å; R64-D68 PolarHBondContact O-N 2.94Å; I65-D68 PolarHBondContact O-N 2.87Å; D68-N71 PolarHBondContact O-N 2.93Å; D68-K72 VanDerWaalsContact CG-NZ 3.32Å; D68-K72 WeakPolarHBondContact O-CB 3.24Å; D68-K72 WeakPolarHBondContact O-CG 3.31Å; D68-K72 PolarHBondContact O-N 3.31Å; D68-K72 WeakPolarHBondContact OD1-CE 3.49Å; D68-K72 IonicContact OD1-NZ 2.68Å; D68-K72 PolarHBondContact OD1-NZ 3.24Å; D68-K72 WeakPolarHBondContact OD2-CE 3.36Å; D68-K72 IonicContact OD2-NZ 2.73Å; D68-K72 PolarHBondContact OD2-NZ 2.96Å
69	Y	98.3	Very high	97.3	Very high	113 Å²	113	68.2 Å²	68.2	44%	0.443	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-48.9	174.1	-176.2	-165.5	0	0	0	111	I65 L66 L67 N71 K72 E73 L83	I65-Y69 WeakPolarHBondContact O-CB 3.41Å; I65-Y69 PolarHBondContact O-N 3.2Å; L66-Y69 PolarHBondContact O-N 2.61Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-N71 VanDerWaalsContact C-N 3.27Å; Y69-N71 PolarHBondContact O-N 2.69Å; Y69-K72 CarbonylContact O-C 3.6Å; Y69-K72 PolarHBondContact O-N 3.33Å; Y69-E73 HydrophobicContact CD2-CB 4.19Å; Y69-E73 HydrophobicContact CE2-CB 3.94Å; Y69-E73 HydrophobicContact CE2-CG 4.42Å; Y69-E73 WeakPolarHBondContact O-CB 3.44Å; Y69-E73 PolarHBondContact O-N 3.17Å; Y69-E73 PolarHBondContact OH-OE2 2.94Å; Y69-L83 HydrophobicContact CD1-CD1 3.39Å; Y69-L83 HydrophobicContact CD2-CD1 4.38Å; Y69-L83 HydrophobicContact CE1-CD1 3.55Å; Y69-L83 HydrophobicContact CE2-CD1 4.47Å; Y69-L83 HydrophobicContact CG-CD1 3.82Å
70	S	97.9	Very high	97.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-51.2	-46.5	174.8	169.3	0	0	0	0	112.3	L66 L67 K72 E73 S80 R84	L66-S70 WeakPolarHBondContact O-CB 3.49Å; L66-S70 PolarHBondContact O-N 2.88Å; L67-S70 WeakPolarHBondContact O-CB 3.32Å; L67-S70 PolarHBondContact O-N 3.48Å; S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 PolarHBondContact O-N 3.27Å; S70-E73 PolarHBondContact O-N 3.14Å; S70-S80 WeakPolarHBondContact CB-O 3.32Å; S70-S80 PolarHBondContact O-OG 2.86Å; S70-S80 PolarHBondContact OG-O 3.49Å; S70-S80 PolarHBondContact OG-OG 2.96Å; S70-R84 WeakPolarHBondContact OG-CB 3.46Å
71	N	97.7	Very high	97.2	Very high	92 Å²	92	69.1 Å²	69.1	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-68.6	-30.2	-179.7	-69.5	-33	0	0	0	113.4	L67 D68 Y69 Q74	L67-N71 WeakPolarHBondContact O-CB 3.23Å; L67-N71 VanDerWaalsContact O-CG 3.23Å; L67-N71 PolarHBondContact O-N 3.42Å; L67-N71 PolarHBondContact O-ND2 3.37Å; L67-N71 VanDerWaalsContact O-ND2 3.11Å; D68-N71 PolarHBondContact O-N 2.93Å; Y69-N71 VanDerWaalsContact C-N 3.27Å; Y69-N71 PolarHBondContact O-N 2.69Å; N71-Q74 PolarHBondContact O-NE2 2.91Å
72	K	97.5	Very high	97.2	Very high	140 Å²	140	65.2 Å²	65.2	61%	0.609	31%	0.308	S	S	*	.	H	α-helix	trans	-86.5	-21.6	178.5	-72.9	172.2	178.7	166.3	0	113.3	D68 Y69 S70 Q74	D68-K72 VanDerWaalsContact CG-NZ 3.32Å; D68-K72 WeakPolarHBondContact O-CB 3.24Å; D68-K72 WeakPolarHBondContact O-CG 3.31Å; D68-K72 PolarHBondContact O-N 3.31Å; D68-K72 WeakPolarHBondContact OD1-CE 3.49Å; D68-K72 IonicContact OD1-NZ 2.68Å; D68-K72 PolarHBondContact OD1-NZ 3.24Å; D68-K72 WeakPolarHBondContact OD2-CE 3.36Å; D68-K72 IonicContact OD2-NZ 2.73Å; D68-K72 PolarHBondContact OD2-NZ 2.96Å; Y69-K72 CarbonylContact O-C 3.6Å; Y69-K72 PolarHBondContact O-N 3.33Å; S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 PolarHBondContact O-N 3.27Å; K72-Q74 PolarHBondContact O-N 2.96Å; K72-Q74 VanDerWaalsContact O-N 3.15Å
73	E	96.1	Very high	97.2	Very high	24 Å²	24	62.3 Å²	62.3	11%	0.112	29%	0.294	C	S	.	.			trans	-74.9	99.8	175.6	-178	55.2	-95	0	0	110	Y69 S70 I75 N76 T79 S80	Y69-E73 HydrophobicContact CD2-CB 4.19Å; Y69-E73 HydrophobicContact CE2-CB 3.94Å; Y69-E73 HydrophobicContact CE2-CG 4.42Å; Y69-E73 WeakPolarHBondContact O-CB 3.44Å; Y69-E73 PolarHBondContact O-N 3.17Å; Y69-E73 PolarHBondContact OH-OE2 2.94Å; S70-E73 PolarHBondContact O-N 3.14Å; E73-I75 PolarHBondContact OE1-N 3.3Å; E73-N76 HydrophobicContact CG-CB 3.86Å; E73-N76 WeakPolarHBondContact CG-O 3.32Å; E73-N76 PolarHBondContact OE1-N 3.46Å; E73-N76 PolarHBondContact OE2-ND2 3.31Å; E73-T79 HydrophobicContact CG-CG2 4.43Å; E73-S80 WeakPolarHBondContact O-CB 3.34Å
74	Q	92.7	Very high	97.1	Very high	148 Å²	148	66.6 Å²	66.6	69%	0.692	31%	0.309	S	S	*	.			trans	-104.6	-11.2	-177.6	-62.8	-62.5	-41.4	0	0	112.7	N71 K72	N71-Q74 PolarHBondContact O-NE2 2.91Å; K72-Q74 PolarHBondContact O-N 2.96Å; K72-Q74 VanDerWaalsContact O-N 3.15Å
75	I	93.8	Very high	97.1	Very high	54 Å²	54	64.4 Å²	64.4	28%	0.277	30%	0.303	S	S	.	.	S	Bend	trans	-97.5	-49.7	-175.2	-56.7	176.4	0	0	0	109.8	E73 R77 E228 F229 T232	E73-I75 PolarHBondContact OE1-N 3.3Å; I75-R77 PolarHBondContact O-N 3.3Å; I75-E228 WeakPolarHBondContact O-CB 3.45Å; I75-F229 HydrophobicContact CD1-CD2 4.33Å; I75-F229 VanDerWaalsContact CG2-CA 3.45Å; I75-F229 HydrophobicContact CG2-CB 3.83Å; I75-F229 HydrophobicContact CG2-CD2 3.94Å; I75-F229 HydrophobicContact CG2-CG 4.37Å; I75-T232 HydrophobicContact CD1-CG2 4.3Å; I75-T232 HydrophobicContact CG1-CG2 4.38Å
76	N	95.5	Very high	97.1	Very high	33 Å²	33	61.1 Å²	61.1	18%	0.176	29%	0.287	C	S	.	.			trans	-94.5	85.1	-174.2	-56.8	-39.5	0	0	0	109.4	E73 T78 T79 S80 D225	E73-N76 HydrophobicContact CG-CB 3.86Å; E73-N76 WeakPolarHBondContact CG-O 3.32Å; E73-N76 PolarHBondContact OE1-N 3.46Å; E73-N76 PolarHBondContact OE2-ND2 3.31Å; N76-T78 PolarHBondContact O-N 2.93Å; N76-T79 WeakPolarHBondContact O-CB 3.28Å; N76-T79 PolarHBondContact O-N 3.32Å; N76-S80 PolarHBondContact O-N 2.83Å; N76-D225 HydrophobicContact CB-CB 3.8Å; N76-D225 WeakPolarHBondContact CB-OD2 3.39Å; N76-D225 PolarHBondContact OD1-O 3.37Å
77	R	94.4	Very high	97.1	Very high	167 Å²	167	59.6 Å²	59.6	63%	0.63	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-40.7	-171.6	-71.4	177.7	-174.3	-171.5	-2.8	113.2	I75 T79 S80 D81 D225 E228	I75-R77 PolarHBondContact O-N 3.3Å; R77-T79 VanDerWaalsContact C-N 3.35Å; R77-S80 PolarHBondContact O-N 3.35Å; R77-D81 PolarHBondContact O-N 3.19Å; R77-D225 PolarHBondContact N-OD1 2.9Å; R77-E228 WeakPolarHBondContact CB-OE2 3.37Å; R77-E228 WeakPolarHBondContact CD-OE1 3.47Å; R77-E228 WeakPolarHBondContact CD-OE2 3.45Å; R77-E228 WeakPolarHBondContact CG-OE2 3.39Å; R77-E228 PolarHBondContact N-OE2 3.44Å; R77-E228 IonicContact NE-OE1 3.81Å; R77-E228 IonicContact NE-OE2 3.98Å
78	T	96.8	Very high	97.1	Very high	37 Å²	37	61.2 Å²	61.2	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-36.5	-178.8	71.8	0	0	0	0	110.9	N76 D81 A82 H221 D225	N76-T78 PolarHBondContact O-N 2.93Å; T78-D81 PolarHBondContact O-N 3.1Å; T78-A82 VanDerWaalsContact O-CB 3.26Å; T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.43Å; T78-H221 HydrophobicContact CG2-CB 4.18Å; T78-H221 PolarHBondContact OG1-N 3.46Å; T78-H221 PolarHBondContact OG1-O 3.49Å; T78-D225 WeakPolarHBondContact CB-OD1 3.39Å; T78-D225 PolarHBondContact N-OD1 3.39Å; T78-D225 PolarHBondContact OG1-OD1 3.16Å; T78-D225 PolarHBondContact OG1-OD2 3.3Å
79	T	97	Very high	97.1	Very high	18 Å²	18	62.2 Å²	62.2	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-49.7	168.9	-62.4	0	0	0	0	111.6	E73 N76 R77 D81 A82 L83 L220 D225	E73-T79 HydrophobicContact CG-CG2 4.43Å; N76-T79 WeakPolarHBondContact O-CB 3.28Å; N76-T79 PolarHBondContact O-N 3.32Å; R77-T79 VanDerWaalsContact C-N 3.35Å; T79-D81 PolarHBondContact O-N 3.4Å; T79-A82 PolarHBondContact O-N 2.97Å; T79-L83 HydrophobicContact CG2-CD1 3.68Å; T79-L83 HydrophobicContact CG2-CG 4.12Å; T79-L83 WeakPolarHBondContact O-CB 3.35Å; T79-L83 VanDerWaalsContact O-CG 3.22Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 3.41Å; T79-L220 HydrophobicContact CG2-CD1 4.06Å; T79-L220 WeakPolarHBondContact OG1-CD1 3.15Å; T79-L220 WeakPolarHBondContact OG1-CG 3.36Å; T79-D225 VanDerWaalsContact CB-OD2 3.29Å; T79-D225 WeakPolarHBondContact CB-OD2 3.41Å; T79-D225 PolarHBondContact N-OD2 2.96Å; T79-D225 PolarHBondContact OG1-OD2 3.41Å
80	S	97.3	Very high	97.1	Very high	16 Å²	16	59 Å²	59	11%	0.112	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-48.3	178.2	176.6	0	0	0	0	111.8	S70 E73 N76 R77 R84	S70-S80 WeakPolarHBondContact CB-O 3.32Å; S70-S80 PolarHBondContact O-OG 2.86Å; S70-S80 PolarHBondContact OG-O 3.49Å; S70-S80 PolarHBondContact OG-OG 2.96Å; E73-S80 WeakPolarHBondContact O-CB 3.34Å; N76-S80 PolarHBondContact O-N 2.83Å; R77-S80 PolarHBondContact O-N 3.35Å; S80-R84 PolarHBondContact O-N 3.21Å
81	D	97.5	Very high	97.2	Very high	71 Å²	71	62 Å²	62	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-67.5	-39.3	179.5	-80.6	-27.3	0	0	0	113	R77 T78 T79 R84 K85	R77-D81 PolarHBondContact O-N 3.19Å; T78-D81 PolarHBondContact O-N 3.1Å; T79-D81 PolarHBondContact O-N 3.4Å; D81-R84 IonicContact OD1-CZ 3.62Å; D81-R84 IonicContact OD1-NH1 2.95Å; D81-R84 PolarHBondContact OD1-NH1 2.75Å; D81-R84 IonicContact OD1-NH2 3.11Å; D81-R84 PolarHBondContact OD1-NH2 2.92Å; D81-K85 WeakPolarHBondContact O-CG 3.25Å; D81-K85 PolarHBondContact O-N 2.92Å
82	A	98	Very high	97.2	Very high	3 Å²	3	60.2 Å²	60.2	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-47.9	176.9	0	0	0	0	0	111.1	T78 T79 R84 K85 V86 I217 L220	T78-A82 VanDerWaalsContact O-CB 3.26Å; T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.43Å; T79-A82 PolarHBondContact O-N 2.97Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 PolarHBondContact O-N 2.91Å; A82-K85 PolarHBondContact O-N 2.79Å; A82-V86 WeakPolarHBondContact O-CG2 3.34Å; A82-V86 PolarHBondContact O-N 3.49Å; A82-I217 HydrophobicContact CB-CD1 4.2Å; A82-L220 HydrophobicContact CB-CB 4.06Å
83	L	98.3	Very high	97.2	Very high	19 Å²	19	53.9 Å²	53.9	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-39.2	178	-68.3	175.7	0	0	0	112.2	L66 Y69 T79 K85 V86 S87	L66-L83 HydrophobicContact CD2-CD2 3.87Å; Y69-L83 HydrophobicContact CD1-CD1 3.39Å; Y69-L83 HydrophobicContact CD2-CD1 4.38Å; Y69-L83 HydrophobicContact CE1-CD1 3.55Å; Y69-L83 HydrophobicContact CE2-CD1 4.47Å; Y69-L83 HydrophobicContact CG-CD1 3.82Å; T79-L83 HydrophobicContact CG2-CD1 3.68Å; T79-L83 HydrophobicContact CG2-CG 4.12Å; T79-L83 WeakPolarHBondContact O-CB 3.35Å; T79-L83 VanDerWaalsContact O-CG 3.22Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 3.41Å; L83-K85 PolarHBondContact O-N 2.68Å; L83-V86 PolarHBondContact O-N 3.47Å; L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.18Å
84	R	98.4	Very high	97.4	Very high	92 Å²	92	53 Å²	53	35%	0.347	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-49.1	174.7	-168.3	169.8	62.6	-132	-11.7	111.2	L67 S70 S80 D81 A82 S87 E88	L67-R84 HydrophobicContact CD1-CG 4.12Å; S70-R84 WeakPolarHBondContact OG-CB 3.46Å; S80-R84 PolarHBondContact O-N 3.21Å; D81-R84 IonicContact OD1-CZ 3.62Å; D81-R84 IonicContact OD1-NH1 2.95Å; D81-R84 PolarHBondContact OD1-NH1 2.75Å; D81-R84 IonicContact OD1-NH2 3.11Å; D81-R84 PolarHBondContact OD1-NH2 2.92Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 PolarHBondContact O-N 2.91Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 2.83Å; R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.33Å
85	K	98.3	Very high	97.6	Very high	77 Å²	77	50.6 Å²	50.6	34%	0.335	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-43.4	179.5	-72	175.7	-179.7	173.8	0	111.8	D81 A82 L83 S87 E88 Y89 A216	D81-K85 WeakPolarHBondContact O-CG 3.25Å; D81-K85 PolarHBondContact O-N 2.92Å; A82-K85 PolarHBondContact O-N 2.79Å; L83-K85 PolarHBondContact O-N 2.68Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.13Å; K85-E88 PolarHBondContact O-N 3.17Å; K85-Y89 HydrophobicContact CB-CE2 4.37Å; K85-Y89 WeakPolarHBondContact O-CD2 3.49Å; K85-Y89 PolarHBondContact O-N 2.99Å; K85-A216 HydrophobicContact CB-CB 3.81Å; K85-A216 HydrophobicContact CD-CB 4.29Å
86	V	98.5	Very high	97.8	Very high	16 Å²	16	52 Å²	52	10%	0.097	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-44	176.4	177	0	0	0	0	110.1	L66 A82 L83 E88 Y89 F90 A216 I217	L66-V86 HydrophobicContact CD1-CG1 3.82Å; A82-V86 WeakPolarHBondContact O-CG2 3.34Å; A82-V86 PolarHBondContact O-N 3.49Å; L83-V86 PolarHBondContact O-N 3.47Å; V86-E88 PolarHBondContact O-N 3.18Å; V86-Y89 PolarHBondContact O-N 3.39Å; V86-F90 HydrophobicContact CG1-CD2 3.8Å; V86-F90 HydrophobicContact CG1-CE2 3.81Å; V86-F90 WeakPolarHBondContact O-CD2 3.45Å; V86-F90 PolarHBondContact O-N 3Å; V86-A216 HydrophobicContact CG2-CB 4.41Å; V86-I217 HydrophobicContact CG2-CB 4.05Å
87	S	98.6	Very high	98	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-49	174	175.7	0	0	0	0	112.4	A63 L67 L83 R84 K85 Y89 F90 V91	A63-S87 WeakPolarHBondContact O-CB 3.43Å; A63-S87 PolarHBondContact O-OG 3.46Å; L67-S87 WeakPolarHBondContact CB-OG 3.44Å; L83-S87 WeakPolarHBondContact O-CB 3.27Å; L83-S87 PolarHBondContact O-N 3.18Å; R84-S87 WeakPolarHBondContact O-CB 3.49Å; R84-S87 PolarHBondContact O-N 2.83Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.13Å; S87-Y89 VanDerWaalsContact C-N 3.28Å; S87-Y89 PolarHBondContact O-N 2.95Å; S87-F90 PolarHBondContact O-N 3.36Å; S87-V91 WeakPolarHBondContact O-CG2 3.38Å; S87-V91 PolarHBondContact O-N 3.4Å
88	E	98.5	Very high	98.2	Very high	103 Å²	103	46.5 Å²	46.5	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-57.6	-39.1	177.9	-70	168	-173.1	0	0	112.5	R84 K85 V86 T92	R84-E88 WeakPolarHBondContact O-CG 3.33Å; R84-E88 PolarHBondContact O-N 3.33Å; K85-E88 PolarHBondContact O-N 3.17Å; V86-E88 PolarHBondContact O-N 3.18Å; E88-T92 PolarHBondContact O-N 3.06Å; E88-T92 VanDerWaalsContact O-N 3.11Å; E88-T92 PolarHBondContact O-OG1 3.15Å
89	Y	98.6	Very high	98.3	Very high	81 Å²	81	47 Å²	47	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-70.2	-36.6	174.8	-69.9	-58.9	0	0	0	112.9	K85 V86 S87 T92 L93 T209 S212 A213 A216	K85-Y89 HydrophobicContact CB-CE2 4.37Å; K85-Y89 WeakPolarHBondContact O-CD2 3.49Å; K85-Y89 PolarHBondContact O-N 2.99Å; V86-Y89 PolarHBondContact O-N 3.39Å; S87-Y89 VanDerWaalsContact C-N 3.28Å; S87-Y89 PolarHBondContact O-N 2.95Å; Y89-T92 PolarHBondContact O-N 3.07Å; Y89-L93 WeakPolarHBondContact O-CB 3.24Å; Y89-L93 PolarHBondContact O-N 3Å; Y89-T209 HydrophobicContact CD1-CG2 4.27Å; Y89-T209 VanDerWaalsContact O-CG2 3.22Å; Y89-T209 WeakPolarHBondContact O-CG2 3.49Å; Y89-S212 VanDerWaalsContact CE1-CB 3.43Å; Y89-A213 HydrophobicContact CD2-CB 4.04Å; Y89-A213 HydrophobicContact CG-CB 4.16Å; Y89-A216 HydrophobicContact CD2-CB 4.26Å; Y89-A216 HydrophobicContact CE2-CB 3.83Å
90	F	98.4	Very high	98.3	Very high	46 Å²	46	46.4 Å²	46.4	20%	0.202	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-40.6	174	-92.2	-105.2	0	0	0	111.9	I62 A63 V86 S87 T92 L93 E94	I62-F90 HydrophobicContact CB-CD1 4.42Å; I62-F90 HydrophobicContact CG2-CD1 3.89Å; I62-F90 HydrophobicContact CG2-CE1 3.86Å; I62-F90 HydrophobicContact CG2-CZ 4.47Å; A63-F90 HydrophobicContact CB-CB 3.77Å; V86-F90 HydrophobicContact CG1-CD2 3.8Å; V86-F90 HydrophobicContact CG1-CE2 3.81Å; V86-F90 WeakPolarHBondContact O-CD2 3.45Å; V86-F90 PolarHBondContact O-N 3Å; S87-F90 PolarHBondContact O-N 3.36Å; F90-T92 VanDerWaalsContact C-N 3.29Å; F90-T92 PolarHBondContact O-N 3.47Å; F90-L93 WeakPolarHBondContact O-CB 3.38Å; F90-L93 PolarHBondContact O-N 2.8Å; F90-E94 WeakPolarHBondContact O-CG 3.48Å; F90-E94 PolarHBondContact O-N 2.7Å
91	V	98.5	Very high	98.4	Very high	63 Å²	63	46 Å²	46	38%	0.382	22%	0.223	S	C	.	.	H	α-helix	trans	-56.6	-47.4	171.8	175.6	0	0	0	0	110.4	A63 S87 L93 E94 D95	A63-V91 HydrophobicContact CB-CG2 3.77Å; S87-V91 WeakPolarHBondContact O-CG2 3.38Å; S87-V91 PolarHBondContact O-N 3.4Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.35Å; V91-E94 PolarHBondContact O-N 2.8Å; V91-D95 PolarHBondContact O-N 3.49Å
92	T	98.5	Very high	98.4	Very high	54 Å²	54	47.3 Å²	47.3	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-38.4	178.5	-56.3	0	0	0	0	112.2	E88 Y89 F90 E94 Y96 T209	E88-T92 PolarHBondContact O-N 3.06Å; E88-T92 VanDerWaalsContact O-N 3.11Å; E88-T92 PolarHBondContact O-OG1 3.15Å; Y89-T92 PolarHBondContact O-N 3.07Å; F90-T92 VanDerWaalsContact C-N 3.29Å; F90-T92 PolarHBondContact O-N 3.47Å; T92-E94 VanDerWaalsContact C-N 3.35Å; T92-Y96 HydrophobicContact CG2-CD2 4.14Å; T92-Y96 HydrophobicContact CG2-CE2 3.67Å; T92-Y96 WeakPolarHBondContact O-CD2 3.49Å; T92-Y96 PolarHBondContact O-N 3.33Å; T92-T209 HydrophobicContact CG2-CG2 4.4Å
93	L	98.5	Very high	98.5	Very high	7 Å²	7	52 Å²	52	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-44.8	176.8	-179.3	65.7	0	0	0	110.7	Y89 F90 V91 Y96 R97 W202 A206 T209 L210	Y89-L93 WeakPolarHBondContact O-CB 3.24Å; Y89-L93 PolarHBondContact O-N 3Å; F90-L93 WeakPolarHBondContact O-CB 3.38Å; F90-L93 PolarHBondContact O-N 2.8Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 PolarHBondContact O-N 3.35Å; L93-Y96 WeakPolarHBondContact O-CB 3.2Å; L93-Y96 PolarHBondContact O-N 2.93Å; L93-R97 PolarHBondContact O-N 3.21Å; L93-W202 HydrophobicContact CD1-CH2 3.52Å; L93-W202 HydrophobicContact CD1-CZ2 4.39Å; L93-W202 HydrophobicContact CD1-CZ3 3.91Å; L93-W202 HydrophobicContact CG-CH2 3.91Å; L93-W202 VanDerWaalsContact O-CH2 3.27Å; L93-W202 WeakPolarHBondContact O-CH2 3.26Å; L93-W202 WeakPolarHBondContact O-CZ3 3.48Å; L93-A206 HydrophobicContact CD1-CB 3.72Å; L93-T209 HydrophobicContact CB-CG2 4.1Å; L93-L210 HydrophobicContact CD1-CG 4.45Å; L93-L210 HydrophobicContact CD2-CD2 3.81Å; L93-L210 HydrophobicContact CD2-CG 4.14Å
94	E	98.5	Very high	98.5	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-77.1	-26.5	-177.8	-60.8	-50.8	150.9	0	0	113.5	R56 D60 F90 V91 T92 Y96 R97 N98	R56-E94 VanDerWaalsContact CA-OE2 3.32Å; R56-E94 WeakPolarHBondContact CA-OE2 3.31Å; R56-E94 HydrophobicContact CG-CB 3.98Å; D60-E94 WeakPolarHBondContact OD1-CB 3.23Å; F90-E94 WeakPolarHBondContact O-CG 3.48Å; F90-E94 PolarHBondContact O-N 2.7Å; V91-E94 PolarHBondContact O-N 2.8Å; T92-E94 VanDerWaalsContact C-N 3.35Å; E94-Y96 VanDerWaalsContact C-N 3.3Å; E94-Y96 PolarHBondContact O-N 3.48Å; E94-R97 PolarHBondContact O-N 3.39Å; E94-R97 IonicContact OE1-CZ 3.62Å; E94-R97 IonicContact OE1-NE 3.82Å; E94-R97 IonicContact OE1-NH2 2.7Å; E94-R97 PolarHBondContact OE1-NH2 3Å; E94-R97 WeakPolarHBondContact OE2-CB 3.48Å; E94-R97 WeakPolarHBondContact OE2-CD 3.4Å; E94-R97 IonicContact OE2-CZ 3.36Å; E94-R97 IonicContact OE2-NE 2.8Å; E94-R97 PolarHBondContact OE2-NE 3.45Å; E94-R97 IonicContact OE2-NH2 3.21Å; E94-N98 WeakPolarHBondContact O-CB 3.31Å; E94-N98 PolarHBondContact O-N 3.31Å
95	D	98.4	Very high	98.5	Very high	99 Å²	99	49.1 Å²	49.1	53%	0.529	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-40.2	165.8	-81.6	-23.2	0	0	0	112	V91 N98 T99	V91-D95 PolarHBondContact O-N 3.49Å; D95-N98 PolarHBondContact O-N 3.11Å; D95-T99 PolarHBondContact O-N 2.97Å; D95-T99 PolarHBondContact O-OG1 3.05Å
96	Y	98.4	Very high	98.5	Very high	83 Å²	83	47.3 Å²	47.3	33%	0.325	24%	0.244	S	C	.	.	H	α-helix	trans	-68.5	-37.8	174.6	-75.3	-50.8	0	0	0	111.8	T92 L93 E94 T99 E100 W202 K205	T92-Y96 HydrophobicContact CG2-CD2 4.14Å; T92-Y96 HydrophobicContact CG2-CE2 3.67Å; T92-Y96 WeakPolarHBondContact O-CD2 3.49Å; T92-Y96 PolarHBondContact O-N 3.33Å; L93-Y96 WeakPolarHBondContact O-CB 3.2Å; L93-Y96 PolarHBondContact O-N 2.93Å; E94-Y96 VanDerWaalsContact C-N 3.3Å; E94-Y96 PolarHBondContact O-N 3.48Å; Y96-T99 WeakPolarHBondContact O-CB 3.38Å; Y96-T99 PolarHBondContact O-N 2.88Å; Y96-E100 PolarHBondContact O-N 3.5Å; Y96-W202 VanDerWaalsContact CB-CZ3 3.49Å; Y96-K205 HydrophobicContact CD1-CB 4.32Å; Y96-K205 HydrophobicContact CD1-CG 4.25Å; Y96-K205 HydrophobicContact CD2-CB 4.04Å; Y96-K205 HydrophobicContact CE1-CD 4.2Å; Y96-K205 HydrophobicContact CE1-CG 4.16Å; Y96-K205 HydrophobicContact CE2-CB 4.27Å; Y96-K205 HydrophobicContact CE2-CD 4.31Å; Y96-K205 HydrophobicContact CG-CB 4.08Å
97	R	98.5	Very high	98.5	Very high	36 Å²	36	51.6 Å²	51.6	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-40.1	173.8	-160	-173.3	-53.9	-110.1	7.2	111.7	T52 R56 L93 E94 T99 E100 I101 W202	T52-R97 HydrophobicContact CG2-CG 3.83Å; R56-R97 HydrophobicContact CG-CB 4.48Å; L93-R97 PolarHBondContact O-N 3.21Å; E94-R97 PolarHBondContact O-N 3.39Å; E94-R97 IonicContact OE1-CZ 3.62Å; E94-R97 IonicContact OE1-NE 3.82Å; E94-R97 IonicContact OE1-NH2 2.7Å; E94-R97 PolarHBondContact OE1-NH2 3Å; E94-R97 WeakPolarHBondContact OE2-CB 3.48Å; E94-R97 WeakPolarHBondContact OE2-CD 3.4Å; E94-R97 IonicContact OE2-CZ 3.36Å; E94-R97 IonicContact OE2-NE 2.8Å; E94-R97 PolarHBondContact OE2-NE 3.45Å; E94-R97 IonicContact OE2-NH2 3.21Å; R97-T99 VanDerWaalsContact C-N 3.28Å; R97-T99 PolarHBondContact O-N 3.42Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 PolarHBondContact O-N 3.17Å; R97-I101 WeakPolarHBondContact O-CG1 3.3Å; R97-I101 PolarHBondContact O-N 3.15Å; R97-W202 HydrophobicContact CB-CE3 4.49Å; R97-W202 HydrophobicContact CB-CH2 3.57Å; R97-W202 HydrophobicContact CB-CZ2 3.95Å; R97-W202 HydrophobicContact CB-CZ3 3.89Å; R97-W202 HydrophobicContact CG-CH2 4.1Å; R97-W202 HydrophobicContact CG-CZ2 3.94Å
98	N	98.4	Very high	98.5	Very high	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-45.1	172.2	-172.6	77.1	0	0	0	111.1	R56 E94 D95 E100 I101 D102	R56-N98 PolarHBondContact NH1-OD1 3.4Å; E94-N98 WeakPolarHBondContact O-CB 3.31Å; E94-N98 PolarHBondContact O-N 3.31Å; D95-N98 PolarHBondContact O-N 3.11Å; N98-E100 VanDerWaalsContact C-N 3.31Å; N98-E100 PolarHBondContact O-N 3.43Å; N98-I101 PolarHBondContact O-N 2.88Å; N98-D102 PolarHBondContact ND2-OD2 3.06Å; N98-D102 PolarHBondContact O-N 2.96Å
99	T	98.5	Very high	98.5	Very high	48 Å²	48	47.1 Å²	47.1	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-36	177.7	-58.3	0	0	0	0	112.4	D95 Y96 R97 R103	D95-T99 PolarHBondContact O-N 2.97Å; D95-T99 PolarHBondContact O-OG1 3.05Å; Y96-T99 WeakPolarHBondContact O-CB 3.38Å; Y96-T99 PolarHBondContact O-N 2.88Å; R97-T99 VanDerWaalsContact C-N 3.28Å; R97-T99 PolarHBondContact O-N 3.42Å; T99-R103 VanDerWaalsContact CG2-CZ 3.47Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 WeakPolarHBondContact O-CD 3.43Å; T99-R103 WeakPolarHBondContact O-CG 3.47Å; T99-R103 PolarHBondContact O-N 3.42Å; T99-R103 VanDerWaalsContact O-N 3.12Å
100	E	98.4	Very high	98.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-52.9	171	164.8	-176.8	-122.9	0	0	111.1	Y96 R97 N98 D102 R103 I104 I198 W202	Y96-E100 PolarHBondContact O-N 3.5Å; R97-E100 WeakPolarHBondContact O-CB 3.48Å; R97-E100 PolarHBondContact O-N 3.17Å; N98-E100 VanDerWaalsContact C-N 3.31Å; N98-E100 PolarHBondContact O-N 3.43Å; E100-D102 VanDerWaalsContact C-N 3.34Å; E100-D102 PolarHBondContact O-N 2.87Å; E100-R103 WeakPolarHBondContact O-CB 3.44Å; E100-R103 PolarHBondContact O-N 3.2Å; E100-R103 VanDerWaalsContact O-N 3.08Å; E100-I104 HydrophobicContact CG-CD1 3.76Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.11Å; E100-I198 HydrophobicContact CB-CG2 4.43Å; E100-I198 HydrophobicContact CG-CG2 4.02Å; E100-W202 HydrophobicContact CB-CB 4.22Å; E100-W202 HydrophobicContact CB-CG 4.44Å; E100-W202 VanDerWaalsContact CD-CD1 3.4Å; E100-W202 VanDerWaalsContact CD-CG 3.46Å; E100-W202 HydrophobicContact CG-CB 4.29Å; E100-W202 HydrophobicContact CG-CG 4.45Å; E100-W202 VanDerWaalsContact OE1-CB 3.3Å; E100-W202 WeakPolarHBondContact OE1-CB 3.35Å; E100-W202 PolarHBondContact OE2-NE1 2.94Å
101	I	98.6	Very high	98.4	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.046	25%	0.25	C	S	.	.	H	α-helix	trans	-54.4	-50.8	179	-65.8	155.6	0	0	0	110.4	T52 S53 R56 R97 N98 R103 I104 V105	T52-I101 HydrophobicContact CG2-CD1 4.03Å; T52-I101 HydrophobicContact CG2-CG1 3.76Å; S53-I101 WeakPolarHBondContact OG-CD1 3.27Å; R56-I101 HydrophobicContact CB-CD1 4.41Å; R97-I101 WeakPolarHBondContact O-CG1 3.3Å; R97-I101 PolarHBondContact O-N 3.15Å; N98-I101 PolarHBondContact O-N 2.88Å; I101-R103 VanDerWaalsContact C-N 3.26Å; I101-R103 PolarHBondContact O-N 3.5Å; I101-I104 PolarHBondContact O-N 2.95Å; I101-V105 HydrophobicContact CG2-CG2 4.42Å; I101-V105 WeakPolarHBondContact O-CG2 3.49Å; I101-V105 PolarHBondContact O-N 3.1Å
102	D	98.6	Very high	98.4	Very high	98 Å²	98	44.2 Å²	44.2	52%	0.524	23%	0.233	S	C	.	.	H	α-helix	trans	-57.8	-39.3	179.5	-73.3	-23.2	0	0	0	112.1	N98 E100 G106	N98-D102 PolarHBondContact ND2-OD2 3.06Å; N98-D102 PolarHBondContact O-N 2.96Å; E100-D102 VanDerWaalsContact C-N 3.34Å; E100-D102 PolarHBondContact O-N 2.87Å; D102-G106 PolarHBondContact O-N 3.47Å
103	R	98.5	Very high	98.3	Very high	100 Å²	100	44.2 Å²	44.2	38%	0.377	24%	0.238	S	C	.	.	H	α-helix	trans	-71.4	-41	178.1	-74	170.3	178.6	164	2.5	112.1	T99 E100 I101 G106 K107 I198	T99-R103 VanDerWaalsContact CG2-CZ 3.47Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 WeakPolarHBondContact O-CD 3.43Å; T99-R103 WeakPolarHBondContact O-CG 3.47Å; T99-R103 PolarHBondContact O-N 3.42Å; T99-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 WeakPolarHBondContact O-CB 3.44Å; E100-R103 PolarHBondContact O-N 3.2Å; E100-R103 VanDerWaalsContact O-N 3.08Å; I101-R103 VanDerWaalsContact C-N 3.26Å; I101-R103 PolarHBondContact O-N 3.5Å; R103-G106 PolarHBondContact O-N 3.36Å; R103-K107 VanDerWaalsContact O-CB 3.31Å; R103-K107 WeakPolarHBondContact O-CB 3.46Å; R103-K107 PolarHBondContact O-N 3.43Å; R103-I198 HydrophobicContact CB-CD1 3.75Å; R103-I198 HydrophobicContact CB-CG1 3.93Å; R103-I198 HydrophobicContact CB-CG2 4.02Å
104	I	98.7	Very high	98.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-47	176.9	-65.3	173.1	0	0	0	109.4	Y48 T49 E100 I101 G106 V108 V109 F195 I198	Y48-I104 HydrophobicContact CD1-CD1 4.2Å; Y48-I104 HydrophobicContact CE1-CD1 3.7Å; T49-I104 HydrophobicContact CG2-CB 3.89Å; T49-I104 HydrophobicContact CG2-CG2 3.39Å; E100-I104 HydrophobicContact CG-CD1 3.76Å; E100-I104 HydrophobicContact CG-CG1 4.38Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.11Å; I101-I104 PolarHBondContact O-N 2.95Å; I104-G106 PolarHBondContact O-N 3.39Å; I104-V108 HydrophobicContact CG2-CB 4.18Å; I104-V108 HydrophobicContact CG2-CG2 4.37Å; I104-V108 WeakPolarHBondContact O-CA 3.26Å; I104-V108 WeakPolarHBondContact O-CB 3.39Å; I104-V108 PolarHBondContact O-N 2.91Å; I104-V109 HydrophobicContact CG2-CG2 4.31Å; I104-V109 PolarHBondContact O-N 3.24Å; I104-F195 HydrophobicContact CD1-CD2 4.46Å; I104-F195 HydrophobicContact CD1-CE2 4.13Å; I104-F195 HydrophobicContact CG1-CD2 4.39Å; I104-F195 HydrophobicContact CG2-CD2 4.45Å; I104-I198 HydrophobicContact CD1-CG2 4.43Å; I104-I198 HydrophobicContact CG1-CD1 4.43Å; I104-I198 HydrophobicContact CG1-CG2 3.84Å
105	V	98.5	Very high	98.1	Very high	50 Å²	50	46.8 Å²	46.8	30%	0.303	26%	0.259	S	S	.	.	I	π-helix	trans	-57.7	-50.5	176.1	173.5	0	0	0	0	110.6	T49 I101 N110	T49-V105 HydrophobicContact CG2-CG2 4.03Å; I101-V105 HydrophobicContact CG2-CG2 4.42Å; I101-V105 WeakPolarHBondContact O-CG2 3.49Å; I101-V105 PolarHBondContact O-N 3.1Å; V105-N110 WeakPolarHBondContact O-CB 3.46Å; V105-N110 VanDerWaalsContact O-CG 3.22Å; V105-N110 PolarHBondContact O-N 3.03Å; V105-N110 PolarHBondContact O-ND2 3.47Å
106	G	98.4	Very high	98	Very high	40 Å²	40	44 Å²	44	41%	0.412	25%	0.253	S	S	.	.	I	π-helix	trans	-71.4	-39	-174.6	0	0	0	0	0	115.4	D102 R103 I104 P111	D102-G106 PolarHBondContact O-N 3.47Å; R103-G106 PolarHBondContact O-N 3.36Å; I104-G106 PolarHBondContact O-N 3.39Å; G106-P111 WeakPolarHBondContact O-CD 3.23Å
107	K	98.4	Very high	97.9	Very high	105 Å²	105	46 Å²	46	46%	0.457	27%	0.265	S	S	.	.	I	π-helix	trans	-105	-16.9	-172.1	-65.2	-172.3	169.6	-168.8	0	114.6	R103 P111 D194 I198	R103-K107 VanDerWaalsContact O-CB 3.31Å; R103-K107 WeakPolarHBondContact O-CB 3.46Å; R103-K107 PolarHBondContact O-N 3.43Å; K107-P111 WeakPolarHBondContact O-CG 3.42Å; K107-D194 HydrophobicContact CB-CB 4.31Å; K107-I198 HydrophobicContact CB-CD1 4.23Å; K107-I198 HydrophobicContact CD-CD1 4.31Å
108	V	98.7	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-116.3	-61.5	-175.1	-167.4	0	0	0	0	110	L45 I104 L112 I191 F195 I198	L45-V108 HydrophobicContact CD1-CG1 3.63Å; L45-V108 HydrophobicContact CD2-CG1 4.25Å; I104-V108 HydrophobicContact CG2-CB 4.18Å; I104-V108 HydrophobicContact CG2-CG2 4.37Å; I104-V108 WeakPolarHBondContact O-CA 3.26Å; I104-V108 WeakPolarHBondContact O-CB 3.39Å; I104-V108 PolarHBondContact O-N 2.91Å; V108-L112 VanDerWaalsContact O-CB 3.23Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 PolarHBondContact O-N 2.97Å; V108-L112 VanDerWaalsContact O-N 3.09Å; V108-I191 HydrophobicContact CB-CG2 4.47Å; V108-I191 HydrophobicContact CG1-CG2 3.65Å; V108-F195 HydrophobicContact CG1-CB 4.07Å; V108-F195 HydrophobicContact CG1-CD2 4.37Å; V108-F195 HydrophobicContact CG2-CB 3.83Å; V108-F195 HydrophobicContact CG2-CD2 4.3Å; V108-I198 HydrophobicContact CG2-CD1 4.07Å
109	V	98.4	Very high	97.7	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.079	26%	0.258	C	S	.	.	I	π-helix	trans	-65	-55	-176	177.6	0	0	0	0	111.3	L45 V46 T49 I104 L112 A113	L45-V109 HydrophobicContact CB-CG2 4.04Å; V46-V109 HydrophobicContact CG2-CG1 3.61Å; V46-V109 HydrophobicContact CG2-CG2 4.46Å; T49-V109 HydrophobicContact CG2-CG2 4.42Å; I104-V109 HydrophobicContact CG2-CG2 4.31Å; I104-V109 PolarHBondContact O-N 3.24Å; V109-L112 PolarHBondContact O-N 3.5Å; V109-A113 WeakPolarHBondContact O-CB 3.47Å; V109-A113 PolarHBondContact O-N 3.39Å
110	N	97.8	Very high	97.6	Very high	92 Å²	92	46.9 Å²	46.9	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-45.2	-176.5	-69.9	-15.9	0	0	0	112.8	V105 L112 A113 A114	V105-N110 WeakPolarHBondContact O-CB 3.46Å; V105-N110 VanDerWaalsContact O-CG 3.22Å; V105-N110 PolarHBondContact O-N 3.03Å; V105-N110 PolarHBondContact O-ND2 3.47Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 3.33Å; N110-A113 PolarHBondContact O-N 2.67Å; N110-A114 PolarHBondContact O-N 3.03Å; N110-A114 VanDerWaalsContact O-N 3.1Å
111	P	97.8	Very high	97.5	Very high	34 Å²	34	51.8 Å²	51.8	22%	0.221	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-32.5	175.7	-27.2	40.3	0	0	0	113.8	G106 K107 Y115 I191	G106-P111 WeakPolarHBondContact O-CD 3.23Å; K107-P111 WeakPolarHBondContact O-CG 3.42Å; P111-Y115 VanDerWaalsContact O-CD2 3.31Å; P111-Y115 WeakPolarHBondContact O-CD2 3.44Å; P111-I191 HydrophobicContact CB-CD1 3.95Å; P111-I191 HydrophobicContact CB-CG1 4.03Å
112	L	97.5	Very high	97.3	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-45	175.6	-172.8	63.6	0	0	0	111.2	F38 L41 C42 L45 V108 V109 N110 A114 Y115 I191	F38-L112 HydrophobicContact CB-CD1 4.21Å; F38-L112 HydrophobicContact CD1-CD1 4.38Å; F38-L112 HydrophobicContact CD2-CD1 3.6Å; F38-L112 HydrophobicContact CE2-CD1 3.97Å; F38-L112 HydrophobicContact CG-CD1 3.83Å; F38-L112 HydrophobicContact CZ-CD1 4.49Å; L41-L112 HydrophobicContact CB-CD2 3.98Å; L41-L112 HydrophobicContact CD2-CD1 4.34Å; L41-L112 HydrophobicContact CD2-CD2 3.8Å; L41-L112 HydrophobicContact CG-CD2 3.64Å; C42-L112 HydrophobicContact CB-CD2 3.83Å; C42-L112 HydrophobicContact CB-CG 4.22Å; L45-L112 HydrophobicContact CD1-CD2 3.87Å; V108-L112 VanDerWaalsContact O-CB 3.23Å; V108-L112 WeakPolarHBondContact O-CB 3.4Å; V108-L112 PolarHBondContact O-N 2.97Å; V108-L112 VanDerWaalsContact O-N 3.09Å; V109-L112 PolarHBondContact O-N 3.5Å; N110-L112 VanDerWaalsContact C-N 3.33Å; N110-L112 PolarHBondContact O-N 3.33Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.05Å; L112-Y115 WeakPolarHBondContact O-CB 3.32Å; L112-Y115 PolarHBondContact O-N 3.22Å; L112-I191 HydrophobicContact CB-CD1 4.28Å; L112-I191 HydrophobicContact CD1-CD1 4.42Å
113	A	96.9	Very high	97.3	Very high	53 Å²	53	49.5 Å²	49.5	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-33.9	177.5	0	0	0	0	0	112.8	V109 N110 Y115 G116	V109-A113 WeakPolarHBondContact O-CB 3.47Å; V109-A113 PolarHBondContact O-N 3.39Å; N110-A113 PolarHBondContact O-N 2.67Å; A113-Y115 PolarHBondContact O-N 3.33Å; A113-Y115 VanDerWaalsContact O-N 3.15Å; A113-G116 PolarHBondContact O-N 3.02Å
114	A	96.6	Very high	97.2	Very high	55 Å²	55	48.8 Å²	48.8	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.6	178.2	0	0	0	0	0	113.6	N110 L112 G116 E117	N110-A114 PolarHBondContact O-N 3.03Å; N110-A114 VanDerWaalsContact O-N 3.1Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.05Å; A114-G116 PolarHBondContact O-N 3.31Å; A114-E117 PolarHBondContact O-N 2.9Å
115	Y	97.2	Very high	97.1	Very high	11 Å²	11	50 Å²	50	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-19.7	175.4	-77.7	-76.6	0	0	0	113.6	F38 P111 L112 A113 E117 E118 I119 F180 R183 R184 G187 I191	F38-Y115 AromaticContact CD2-CD2 3.9Å; F38-Y115 HydrophobicContact CD2-CD2 3.9Å; F38-Y115 AromaticContact CD2-CG 3.8Å; F38-Y115 HydrophobicContact CD2-CG 3.8Å; F38-Y115 HydrophobicContact CE2-CD1 4.05Å; F38-Y115 AromaticContact CE2-CD2 3.54Å; F38-Y115 HydrophobicContact CE2-CD2 3.54Å; F38-Y115 HydrophobicContact CE2-CE1 4.44Å; F38-Y115 AromaticContact CE2-CE2 3.96Å; F38-Y115 HydrophobicContact CE2-CE2 3.96Å; F38-Y115 AromaticContact CE2-CG 3.58Å; F38-Y115 HydrophobicContact CE2-CG 3.58Å; P111-Y115 VanDerWaalsContact O-CD2 3.31Å; P111-Y115 WeakPolarHBondContact O-CD2 3.44Å; L112-Y115 WeakPolarHBondContact O-CB 3.32Å; L112-Y115 PolarHBondContact O-N 3.22Å; A113-Y115 PolarHBondContact O-N 3.33Å; A113-Y115 VanDerWaalsContact O-N 3.15Å; Y115-E117 VanDerWaalsContact C-N 3.34Å; Y115-E117 PolarHBondContact O-N 3.16Å; Y115-E118 HydrophobicContact CD1-CG 4.45Å; Y115-E118 WeakPolarHBondContact O-CB 3.37Å; Y115-E118 PolarHBondContact O-N 2.97Å; Y115-I119 WeakPolarHBondContact O-CB 3.46Å; Y115-I119 WeakPolarHBondContact O-CD1 3.31Å; Y115-I119 VanDerWaalsContact O-CG1 3.27Å; Y115-I119 WeakPolarHBondContact O-CG1 3.36Å; Y115-I119 PolarHBondContact O-N 3.49Å; Y115-F180 AromaticContact CD1-CE2 3.99Å; Y115-F180 HydrophobicContact CD1-CE2 3.99Å; Y115-R183 PolarHBondContact OH-O 2.97Å; Y115-R184 HydrophobicContact CE1-CB 4.21Å; Y115-R184 HydrophobicContact CE1-CG 4.47Å; Y115-G187 VanDerWaalsContact OH-CA 3.3Å; Y115-G187 WeakPolarHBondContact OH-CA 3.41Å; Y115-I191 HydrophobicContact CE2-CD1 3.94Å
116	G	96.3	Very high	97	Very high	40 Å²	40	48.4 Å²	48.4	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-43.7	174.5	0	0	0	0	0	112.7	A113 A114 I119 K120	A113-G116 PolarHBondContact O-N 3.02Å; A114-G116 PolarHBondContact O-N 3.31Å; G116-I119 PolarHBondContact O-N 3.09Å; G116-K120 WeakPolarHBondContact O-CB 3.45Å; G116-K120 PolarHBondContact O-N 3.34Å
117	E	96	Very high	96.9	Very high	125 Å²	125	53.3 Å²	53.3	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-70.9	-32.4	176.1	-74.7	-61.7	130.4	0	0	112.1	A114 Y115 K120 H121	A114-E117 PolarHBondContact O-N 2.9Å; Y115-E117 VanDerWaalsContact C-N 3.34Å; Y115-E117 PolarHBondContact O-N 3.16Å; E117-K120 PolarHBondContact O-N 3.32Å; E117-K120 IonicContact OE1-NZ 2.92Å; E117-K120 PolarHBondContact OE1-NZ 3.31Å; E117-K120 IonicContact OE2-NZ 2.61Å; E117-K120 PolarHBondContact OE2-NZ 3.47Å; E117-K120 VanDerWaalsContact OE2-NZ 3.11Å; E117-H121 PolarHBondContact O-N 3.39Å
118	E	94.5	Very high	96.8	Very high	46 Å²	46	50.9 Å²	50.9	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-44.4	174.5	-58.7	-165.1	-167	0	0	112.5	Y115 K120 H121 I122 F180 R183	Y115-E118 HydrophobicContact CD1-CG 4.45Å; Y115-E118 WeakPolarHBondContact O-CB 3.37Å; Y115-E118 PolarHBondContact O-N 2.97Å; E118-K120 VanDerWaalsContact C-N 3.31Å; E118-K120 PolarHBondContact O-N 3.24Å; E118-H121 WeakPolarHBondContact O-CB 3.39Å; E118-H121 PolarHBondContact O-N 3.44Å; E118-I122 WeakPolarHBondContact O-CG1 3.47Å; E118-I122 PolarHBondContact O-N 2.79Å; E118-I122 VanDerWaalsContact O-N 3.13Å; E118-F180 HydrophobicContact CB-CD2 4.11Å; E118-F180 HydrophobicContact CB-CE2 4Å; E118-F180 WeakPolarHBondContact OE2-CD2 3.22Å; E118-R183 IonicContact OE1-NH1 3.34Å; E118-R183 PolarHBondContact OE1-NH1 3.15Å; E118-R183 IonicContact OE2-CZ 3.25Å; E118-R183 IonicContact OE2-NH1 2.68Å; E118-R183 PolarHBondContact OE2-NH1 2.93Å; E118-R183 IonicContact OE2-NH2 3.59Å; E118-R183 PolarHBondContact OE2-NH2 3.04Å
119	I	96.8	Very high	96.6	Very high	4 Å²	4	51 Å²	51	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-44.9	176.2	-75.1	165.8	0	0	0	110.1	V31 I34 E35 Y115 G116 H121 I122 K123 F180	V31-I119 HydrophobicContact CG1-CG2 3.76Å; I34-I119 HydrophobicContact CG2-CD1 4.18Å; E35-I119 HydrophobicContact CB-CD1 4.02Å; E35-I119 HydrophobicContact CB-CG2 4.05Å; E35-I119 HydrophobicContact CG-CD1 4.43Å; E35-I119 HydrophobicContact CG-CG2 4.1Å; Y115-I119 WeakPolarHBondContact O-CB 3.46Å; Y115-I119 WeakPolarHBondContact O-CD1 3.31Å; Y115-I119 VanDerWaalsContact O-CG1 3.27Å; Y115-I119 WeakPolarHBondContact O-CG1 3.36Å; Y115-I119 PolarHBondContact O-N 3.49Å; G116-I119 PolarHBondContact O-N 3.09Å; I119-H121 VanDerWaalsContact C-N 3.32Å; I119-H121 PolarHBondContact O-N 3.37Å; I119-I122 PolarHBondContact O-N 3.45Å; I119-K123 HydrophobicContact CG2-CD 4.36Å; I119-K123 WeakPolarHBondContact O-CG 3.23Å; I119-K123 PolarHBondContact O-N 3.47Å; I119-F180 HydrophobicContact CG1-CE2 4.15Å; I119-F180 HydrophobicContact CG1-CZ 3.85Å
120	K	96.5	Very high	96.5	Very high	101 Å²	101	52.6 Å²	52.6	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-39.9	175.2	-178.5	-178.5	171.7	-165.1	0	112.3	G116 E117 E118 I122 K123 N124	G116-K120 WeakPolarHBondContact O-CB 3.45Å; G116-K120 PolarHBondContact O-N 3.34Å; E117-K120 PolarHBondContact O-N 3.32Å; E117-K120 IonicContact OE1-NZ 2.92Å; E117-K120 PolarHBondContact OE1-NZ 3.31Å; E117-K120 IonicContact OE2-NZ 2.61Å; E117-K120 PolarHBondContact OE2-NZ 3.47Å; E117-K120 VanDerWaalsContact OE2-NZ 3.11Å; E118-K120 VanDerWaalsContact C-N 3.31Å; E118-K120 PolarHBondContact O-N 3.24Å; K120-I122 PolarHBondContact O-N 2.79Å; K120-K123 PolarHBondContact O-N 3.27Å; K120-N124 VanDerWaalsContact O-CG 3.25Å; K120-N124 PolarHBondContact O-N 2.89Å; K120-N124 PolarHBondContact O-ND2 3.13Å
121	H	96	Very high	96.4	Very high	107 Å²	107	50 Å²	50	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-45.5	174.1	-178.9	-75	0	0	0	111.6	E117 E118 I119 N124 S125	E117-H121 PolarHBondContact O-N 3.39Å; E118-H121 WeakPolarHBondContact O-CB 3.39Å; E118-H121 PolarHBondContact O-N 3.44Å; I119-H121 VanDerWaalsContact C-N 3.32Å; I119-H121 PolarHBondContact O-N 3.37Å; H121-N124 WeakPolarHBondContact O-CB 3.46Å; H121-N124 PolarHBondContact O-N 3.42Å; H121-S125 PolarHBondContact O-N 3.01Å; H121-S125 PolarHBondContact O-OG 2.83Å
122	I	96.4	Very high	96.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-42	179.3	-59.5	159.6	0	0	0	111.1	V27 V31 E118 I119 K120 N124 S125 L126 V177 F180	V27-I122 HydrophobicContact CG1-CG2 4.22Å; V31-I122 HydrophobicContact CG2-CB 4.37Å; V31-I122 HydrophobicContact CG2-CD1 4.5Å; V31-I122 HydrophobicContact CG2-CG2 3.64Å; E118-I122 WeakPolarHBondContact O-CG1 3.47Å; E118-I122 PolarHBondContact O-N 2.79Å; E118-I122 VanDerWaalsContact O-N 3.13Å; I119-I122 PolarHBondContact O-N 3.45Å; K120-I122 PolarHBondContact O-N 2.79Å; I122-N124 PolarHBondContact O-N 3.47Å; I122-S125 WeakPolarHBondContact O-CB 3.43Å; I122-S125 PolarHBondContact O-N 3.45Å; I122-S125 VanDerWaalsContact O-N 3.14Å; I122-L126 WeakPolarHBondContact O-CB 3.48Å; I122-L126 PolarHBondContact O-N 2.87Å; I122-V177 HydrophobicContact CG2-CG2 3.91Å; I122-F180 HydrophobicContact CD1-CB 3.49Å; I122-F180 VanDerWaalsContact CD1-CB 3.49Å; I122-F180 HydrophobicContact CD1-CD1 3.28Å; I122-F180 HydrophobicContact CD1-CD2 3.43Å; I122-F180 VanDerWaalsContact CD1-CD2 3.43Å; I122-F180 HydrophobicContact CD1-CE1 3.69Å; I122-F180 HydrophobicContact CD1-CE2 3.81Å; I122-F180 HydrophobicContact CD1-CG 3.11Å; I122-F180 HydrophobicContact CD1-CZ 3.93Å; I122-F180 HydrophobicContact CG1-CB 4.31Å; I122-F180 HydrophobicContact CG1-CG 4.35Å
123	K	96.9	Very high	96.2	Very high	55 Å²	55	48.9 Å²	48.9	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-37.3	173.8	-73.5	-179.1	172.5	-177.4	0	111.9	V31 E35 I119 K120 L126 K127	V31-K123 HydrophobicContact CG1-CG 4.02Å; E35-K123 IonicContact OE1-NZ 2.68Å; E35-K123 PolarHBondContact OE1-NZ 2.98Å; E35-K123 WeakPolarHBondContact OE2-CE 3.46Å; E35-K123 IonicContact OE2-NZ 2.79Å; E35-K123 PolarHBondContact OE2-NZ 3.41Å; I119-K123 HydrophobicContact CG2-CD 4.36Å; I119-K123 WeakPolarHBondContact O-CG 3.23Å; I119-K123 PolarHBondContact O-N 3.47Å; K120-K123 PolarHBondContact O-N 3.27Å; K123-L126 PolarHBondContact O-N 3.45Å; K123-K127 WeakPolarHBondContact O-CG 3.11Å; K123-K127 PolarHBondContact O-N 3.47Å
124	N	96.7	Very high	96.1	Very high	86 Å²	86	54 Å²	54	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-68.4	-42.3	174.6	-69.2	-22	0	0	0	112	K120 H121 I122 L126 K127 A128	K120-N124 VanDerWaalsContact O-CG 3.25Å; K120-N124 PolarHBondContact O-N 2.89Å; K120-N124 PolarHBondContact O-ND2 3.13Å; H121-N124 WeakPolarHBondContact O-CB 3.46Å; H121-N124 PolarHBondContact O-N 3.42Å; I122-N124 PolarHBondContact O-N 3.47Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 2.99Å; N124-K127 PolarHBondContact O-N 3.31Å; N124-A128 PolarHBondContact O-N 3.01Å
125	S	96.1	Very high	96	Very high	26 Å²	26	56.9 Å²	56.9	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-41.9	172.8	-60.5	0	0	0	0	111.8	H121 I122 A128 E129	H121-S125 PolarHBondContact O-N 3.01Å; H121-S125 PolarHBondContact O-OG 2.83Å; I122-S125 WeakPolarHBondContact O-CB 3.43Å; I122-S125 PolarHBondContact O-N 3.45Å; I122-S125 VanDerWaalsContact O-N 3.14Å; S125-A128 PolarHBondContact O-N 3.26Å; S125-E129 VanDerWaalsContact O-CB 3.31Å; S125-E129 WeakPolarHBondContact O-CB 3.31Å; S125-E129 PolarHBondContact O-N 2.57Å
126	L	96.7	Very high	95.9	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-43.1	176.6	-177.3	72.5	0	0	0	112	S24 V27 N28 I122 K123 N124 E129 S130 L173	S24-L126 WeakPolarHBondContact O-CD1 3.33Å; V27-L126 HydrophobicContact CG1-CD1 4.46Å; N28-L126 HydrophobicContact CB-CD2 3.53Å; N28-L126 WeakPolarHBondContact OD1-CD2 3.33Å; I122-L126 WeakPolarHBondContact O-CB 3.48Å; I122-L126 PolarHBondContact O-N 2.87Å; K123-L126 PolarHBondContact O-N 3.45Å; N124-L126 VanDerWaalsContact C-N 3.31Å; N124-L126 PolarHBondContact O-N 2.99Å; L126-E129 PolarHBondContact O-N 2.71Å; L126-S130 WeakPolarHBondContact O-CB 3.26Å; L126-S130 PolarHBondContact O-N 3.17Å; L126-S130 PolarHBondContact O-OG 3.35Å; L126-L173 HydrophobicContact CB-CD1 4.31Å; L126-L173 HydrophobicContact CD1-CD2 3.86Å
127	K	96.3	Very high	95.7	Very high	142 Å²	142	56.3 Å²	56.3	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-43.8	174.5	-74.5	174.1	-177.3	178.5	0	111.7	K123 N124 A131	K123-K127 WeakPolarHBondContact O-CG 3.11Å; K123-K127 PolarHBondContact O-N 3.47Å; N124-K127 PolarHBondContact O-N 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.09Å
128	A	96.2	Very high	95.6	Very high	55 Å²	55	54.9 Å²	54.9	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-42.8	178.4	0	0	0	0	0	111.7	N124 S125 A131 A132	N124-A128 PolarHBondContact O-N 3.01Å; S125-A128 PolarHBondContact O-N 3.26Å; A128-A131 PolarHBondContact O-N 3.33Å; A128-A132 PolarHBondContact O-N 3.47Å
129	E	95.7	Very high	95.5	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-47.7	177.2	-165.1	-80	162.5	0	0	112	S24 S125 L126 A131 A132 R133 A170 L173	S24-E129 PolarHBondContact OG-OE2 3.1Å; S125-E129 VanDerWaalsContact O-CB 3.31Å; S125-E129 WeakPolarHBondContact O-CB 3.31Å; S125-E129 PolarHBondContact O-N 2.57Å; L126-E129 PolarHBondContact O-N 2.71Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.42Å; E129-A132 PolarHBondContact O-N 2.97Å; E129-A132 VanDerWaalsContact O-N 3.17Å; E129-R133 PolarHBondContact O-N 3.41Å; E129-R133 IonicContact OE1-CZ 2.94Å; E129-R133 IonicContact OE1-NH1 2.8Å; E129-R133 PolarHBondContact OE1-NH1 3.29Å; E129-R133 IonicContact OE1-NH2 3.22Å; E129-R133 PolarHBondContact OE1-NH2 3.14Å; E129-R133 IonicContact OE2-NH1 3.75Å; E129-A170 HydrophobicContact CG-CB 4.41Å; E129-L173 HydrophobicContact CB-CB 4.39Å; E129-L173 HydrophobicContact CB-CD2 4.02Å; E129-L173 HydrophobicContact CG-CB 4.14Å; E129-L173 HydrophobicContact CG-CD2 3.79Å
130	S	95.2	Very high	95.2	Very high	46 Å²	46	55.2 Å²	55.2	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-38.6	175.8	-62.7	0	0	0	0	112.1	L126 R134	L126-S130 WeakPolarHBondContact O-CB 3.26Å; L126-S130 PolarHBondContact O-N 3.17Å; L126-S130 PolarHBondContact O-OG 3.35Å; S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 PolarHBondContact O-N 3.47Å
131	A	96.1	Very high	94.9	Very high	38 Å²	38	56.5 Å²	56.5	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-69.8	-36.4	177.3	0	0	0	0	0	112.6	K127 A128 E129 R135	K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.09Å; A128-A131 PolarHBondContact O-N 3.33Å; E129-A131 VanDerWaalsContact C-N 3.29Å; E129-A131 PolarHBondContact O-N 3.42Å; A131-R135 WeakPolarHBondContact O-CG 3.3Å; A131-R135 PolarHBondContact O-N 3.23Å; A131-R135 VanDerWaalsContact O-N 3.14Å; A131-R135 PolarHBondContact O-NE 3.18Å
132	A	95.9	Very high	94.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-44.3	173.7	0	0	0	0	0	111.3	A128 E129 R134 R135 E136 A166 S169	A128-A132 PolarHBondContact O-N 3.47Å; E129-A132 PolarHBondContact O-N 2.97Å; E129-A132 VanDerWaalsContact O-N 3.17Å; A132-R134 PolarHBondContact O-N 2.99Å; A132-R135 WeakPolarHBondContact O-CB 3.14Å; A132-R135 PolarHBondContact O-N 3.39Å; A132-R135 VanDerWaalsContact O-N 3.16Å; A132-E136 PolarHBondContact O-N 2.84Å; A132-A166 HydrophobicContact CB-CB 4.31Å; A132-S169 VanDerWaalsContact CB-OG 3.26Å; A132-S169 WeakPolarHBondContact CB-OG 3.48Å
133	R	94.2	Very high	94.4	Very high	12 Å²	12	56.7 Å²	56.7	5%	0.045	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-41	175.7	-174	152.4	-65.8	119.7	18.3	113	I17 C20 E129 R135 E136 I137	I17-R133 HydrophobicContact CG2-CG 4.26Å; C20-R133 PolarHBondContact O-NH1 3.32Å; E129-R133 PolarHBondContact O-N 3.41Å; E129-R133 IonicContact OE1-CZ 2.94Å; E129-R133 IonicContact OE1-NH1 2.8Å; E129-R133 PolarHBondContact OE1-NH1 3.29Å; E129-R133 IonicContact OE1-NH2 3.22Å; E129-R133 PolarHBondContact OE1-NH2 3.14Å; E129-R133 IonicContact OE2-NH1 3.75Å; R133-R135 VanDerWaalsContact C-N 3.28Å; R133-R135 PolarHBondContact O-N 2.92Å; R133-E136 WeakPolarHBondContact O-CB 3.44Å; R133-E136 PolarHBondContact O-N 2.96Å; R133-E136 VanDerWaalsContact O-N 3.13Å; R133-I137 HydrophobicContact CG-CD1 4.13Å; R133-I137 WeakPolarHBondContact O-CG1 3.19Å; R133-I137 PolarHBondContact O-N 3.11Å
134	R	95	Very high	94	Very high	160 Å²	160	58.5 Å²	58.5	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-59.4	-40.5	173.8	-169.9	179.5	-63.2	138	2	111.7	S130 A132 I137 I138	S130-R134 WeakPolarHBondContact O-CB 3.47Å; S130-R134 PolarHBondContact O-N 3.47Å; A132-R134 PolarHBondContact O-N 2.99Å; R134-I137 PolarHBondContact O-N 3.17Å; R134-I138 HydrophobicContact CG-CD1 3.96Å; R134-I138 WeakPolarHBondContact O-CB 3.47Å; R134-I138 WeakPolarHBondContact O-CD1 3.43Å; R134-I138 VanDerWaalsContact O-CG1 3.23Å; R134-I138 WeakPolarHBondContact O-CG1 3.24Å; R134-I138 PolarHBondContact O-N 2.94Å
135	R	95.4	Very high	93.8	Very high	116 Å²	116	62.5 Å²	62.5	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-39.5	174.6	-76.9	-178.6	-74.1	141.5	0.1	112.1	A131 A132 R133 I138 N139 D165	A131-R135 WeakPolarHBondContact O-CG 3.3Å; A131-R135 PolarHBondContact O-N 3.23Å; A131-R135 VanDerWaalsContact O-N 3.14Å; A131-R135 PolarHBondContact O-NE 3.18Å; A132-R135 WeakPolarHBondContact O-CB 3.14Å; A132-R135 PolarHBondContact O-N 3.39Å; A132-R135 VanDerWaalsContact O-N 3.16Å; R133-R135 VanDerWaalsContact C-N 3.28Å; R133-R135 PolarHBondContact O-N 2.92Å; R135-I138 PolarHBondContact O-N 3.34Å; R135-N139 WeakPolarHBondContact O-CB 3.34Å; R135-N139 PolarHBondContact O-N 3.32Å; R135-N139 PolarHBondContact O-ND2 3.4Å; R135-D165 IonicContact CZ-OD2 3.67Å; R135-D165 IonicContact NH1-OD2 2.78Å; R135-D165 PolarHBondContact NH1-OD2 3.48Å; R135-D165 IonicContact NH2-OD2 3.71Å; R135-D165 PolarHBondContact NH2-OD2 3.34Å
136	E	94.2	Very high	93.4	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-49.7	173.8	-175.6	-179.4	-164.5	0	0	111.3	R13 I17 A132 R133 I138 N139 M140 L159 A162 M163 A166	R13-E136 IonicContact CZ-OE1 3.62Å; R13-E136 IonicContact NE-OE1 2.7Å; R13-E136 PolarHBondContact NE-OE1 3.43Å; R13-E136 IonicContact NH2-OE1 3Å; I17-E136 HydrophobicContact CD1-CG 4.46Å; A132-E136 PolarHBondContact O-N 2.84Å; R133-E136 WeakPolarHBondContact O-CB 3.44Å; R133-E136 PolarHBondContact O-N 2.96Å; R133-E136 VanDerWaalsContact O-N 3.13Å; E136-I138 PolarHBondContact O-N 3.48Å; E136-N139 PolarHBondContact O-N 3.02Å; E136-M140 WeakPolarHBondContact O-CB 3.2Å; E136-M140 PolarHBondContact O-N 2.98Å; E136-L159 HydrophobicContact CG-CD1 4.39Å; E136-A162 HydrophobicContact CB-CB 4.37Å; E136-M163 HydrophobicContact CG-CG 3.96Å; E136-M163 WeakPolarHBondContact OE1-CG 3.49Å; E136-A166 HydrophobicContact CB-CB 4.22Å; E136-A166 VanDerWaalsContact OE2-CB 3.27Å; E136-A166 WeakPolarHBondContact OE2-CB 3.44Å
137	I	92.8	Very high	93	Very high	31 Å²	31	69 Å²	69	16%	0.159	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-44	179	-64.5	165.9	0	0	0	111.6	I17 R133 R134 M140 R141	I17-I137 HydrophobicContact CD1-CG1 4.36Å; I17-I137 HydrophobicContact CG2-CD1 4Å; I17-I137 HydrophobicContact CG2-CG1 4.17Å; R133-I137 HydrophobicContact CG-CD1 4.13Å; R133-I137 WeakPolarHBondContact O-CG1 3.19Å; R133-I137 PolarHBondContact O-N 3.11Å; R134-I137 PolarHBondContact O-N 3.17Å; I137-M140 PolarHBondContact O-N 3.16Å; I137-R141 WeakPolarHBondContact O-CG 3.44Å; I137-R141 PolarHBondContact O-N 2.95Å
138	I	94.4	Very high	92.6	Very high	95 Å²	95	66.3 Å²	66.3	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-45.9	178.1	-70.8	165.9	0	0	0	110.6	R134 R135 E136 M140 R141 K142	R134-I138 HydrophobicContact CG-CD1 3.96Å; R134-I138 WeakPolarHBondContact O-CB 3.47Å; R134-I138 WeakPolarHBondContact O-CD1 3.43Å; R134-I138 VanDerWaalsContact O-CG1 3.23Å; R134-I138 WeakPolarHBondContact O-CG1 3.24Å; R134-I138 PolarHBondContact O-N 2.94Å; R135-I138 PolarHBondContact O-N 3.34Å; E136-I138 PolarHBondContact O-N 3.48Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.9Å; I138-R141 PolarHBondContact O-N 2.92Å; I138-K142 WeakPolarHBondContact O-CB 3.32Å; I138-K142 PolarHBondContact O-N 3.37Å
139	N	92.5	Very high	92.1	Very high	25 Å²	25	71 Å²	71	13%	0.134	34%	0.338	C	S	.	.	H	α-helix	trans	-68.8	-32.3	179.5	-75.2	-63.9	0	0	0	112.5	R135 E136 K142 L143 Q158 L159 A162	R135-N139 WeakPolarHBondContact O-CB 3.34Å; R135-N139 PolarHBondContact O-N 3.32Å; R135-N139 PolarHBondContact O-ND2 3.4Å; E136-N139 PolarHBondContact O-N 3.02Å; N139-K142 WeakPolarHBondContact O-CB 3.41Å; N139-K142 PolarHBondContact O-N 3.42Å; N139-L143 PolarHBondContact O-N 3.06Å; N139-Q158 WeakPolarHBondContact OD1-CB 3.45Å; N139-L159 HydrophobicContact CB-CB 4.13Å; N139-L159 HydrophobicContact CB-CD1 4.24Å; N139-A162 HydrophobicContact CB-CB 4.42Å
140	M	90	Very high	91.8	Very high	31 Å²	31	77 Å²	77	15%	0.153	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-47.9	173.9	-173.4	177.4	68.9	0	0	110.9	E136 I137 I138 K142 L143 E144 L159	E136-M140 WeakPolarHBondContact O-CB 3.2Å; E136-M140 PolarHBondContact O-N 2.98Å; I137-M140 PolarHBondContact O-N 3.16Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.9Å; M140-K142 VanDerWaalsContact C-N 3.27Å; M140-K142 PolarHBondContact O-N 3.07Å; M140-L143 PolarHBondContact O-N 2.96Å; M140-E144 WeakPolarHBondContact O-CG 3.39Å; M140-E144 PolarHBondContact O-N 3.46Å; M140-E144 VanDerWaalsContact O-N 3.16Å; M140-L159 HydrophobicContact CB-CD1 3.97Å
141	R	91.1	Very high	91.5	Very high	129 Å²	129	76.6 Å²	76.6	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-27.1	175.5	-65.4	176.7	177.5	169.9	-0.5	113	I137 I138 R145	I137-R141 WeakPolarHBondContact O-CG 3.44Å; I137-R141 PolarHBondContact O-N 2.95Å; I138-R141 PolarHBondContact O-N 2.92Å; R141-R145 WeakPolarHBondContact O-CG 3.17Å; R141-R145 PolarHBondContact O-N 2.98Å; R141-R145 PolarHBondContact O-NH1 3.36Å
142	K	92	Very high	91.2	Very high	88 Å²	88	76.3 Å²	76.3	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-44.6	174.4	-174.4	178.6	176.8	-178.5	0	110.6	I138 N139 M140 E144 R145 S146 A155	I138-K142 WeakPolarHBondContact O-CB 3.32Å; I138-K142 PolarHBondContact O-N 3.37Å; N139-K142 WeakPolarHBondContact O-CB 3.41Å; N139-K142 PolarHBondContact O-N 3.42Å; M140-K142 VanDerWaalsContact C-N 3.27Å; M140-K142 PolarHBondContact O-N 3.07Å; K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.17Å; K142-R145 PolarHBondContact O-N 2.89Å; K142-R145 VanDerWaalsContact O-N 3.1Å; K142-S146 PolarHBondContact O-N 3.44Å; K142-S146 PolarHBondContact O-OG 3.28Å; K142-A155 HydrophobicContact CG-CB 4.4Å
143	L	89.8	Confident	91	Very high	27 Å²	27	84 Å²	84	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-37.4	175.3	179.1	58.5	0	0	0	112	N139 M140 R145 S146 A155 E156 L159	N139-L143 PolarHBondContact O-N 3.06Å; M140-L143 PolarHBondContact O-N 2.96Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 2.83Å; L143-S146 PolarHBondContact O-N 2.89Å; L143-A155 HydrophobicContact CB-CB 4.01Å; L143-A155 HydrophobicContact CD1-CB 3.94Å; L143-E156 HydrophobicContact CD1-CG 3.6Å; L143-E156 HydrophobicContact CD2-CG 3.98Å; L143-E156 HydrophobicContact CG-CG 4.47Å; L143-L159 HydrophobicContact CD2-CD2 3.59Å
144	E	88.4	Confident	90.9	Very high	92 Å²	92	88.8 Å²	88.8	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-26.4	175.6	-71.1	173.6	158.8	0	0	114.2	R10 M140 K142	R10-E144 IonicContact CZ-OE1 3.58Å; R10-E144 VanDerWaalsContact CZ-OE1 3.25Å; R10-E144 IonicContact NH1-OE1 2.71Å; R10-E144 PolarHBondContact NH1-OE1 3.4Å; R10-E144 IonicContact NH2-OE1 3.34Å; M140-E144 WeakPolarHBondContact O-CG 3.39Å; M140-E144 PolarHBondContact O-N 3.46Å; M140-E144 VanDerWaalsContact O-N 3.16Å; K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.17Å
145	R	91.1	Very high	90.8	Very high	171 Å²	171	81.2 Å²	81.2	65%	0.645	38%	0.382	S	S	*	.	H	α-helix	trans	-96.3	-4.4	-179.8	-65.3	-177.5	-171.4	104.9	-5.2	113.4	R141 K142 L143 N147	R141-R145 WeakPolarHBondContact O-CG 3.17Å; R141-R145 PolarHBondContact O-N 2.98Å; R141-R145 PolarHBondContact O-NH1 3.36Å; K142-R145 PolarHBondContact O-N 2.89Å; K142-R145 VanDerWaalsContact O-N 3.1Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 2.83Å; R145-N147 PolarHBondContact O-N 2.91Å
146	S	88.1	Confident	90.6	Very high	20 Å²	20	78.8 Å²	78.8	14%	0.14	38%	0.376	C	S	.	.			trans	-74.6	109.9	-179	-75.7	0	0	0	0	111	K142 L143 S151	K142-S146 PolarHBondContact O-N 3.44Å; K142-S146 PolarHBondContact O-OG 3.28Å; L143-S146 PolarHBondContact O-N 2.89Å; S146-S151 PolarHBondContact OG-O 2.97Å; S146-S151 PolarHBondContact OG-OG 2.92Å
147	N	88.1	Confident	90.6	Very high	159 Å²	159	83 Å²	83	85%	0.85	40%	0.397	S	S	*	.			trans	-93.8	-12	-177	-62.7	-41.4	0	0	0	114.3	R145	R145-N147 PolarHBondContact O-N 2.91Å
148	T	88.5	Confident	90.6	Very high	85 Å²	85	84.9 Å²	84.9	52%	0.521	41%	0.406	S	S	.	.	S	Bend	trans	-112.5	150.2	179.8	70	0	0	0	0	110.9	Q150 S151 S152	T148-Q150 VanDerWaalsContact C-N 3.26Å; T148-Q150 PolarHBondContact O-N 2.92Å; T148-S151 PolarHBondContact O-N 3.27Å; T148-S151 WeakPolarHBondContact OG1-CB 3.21Å; T148-S151 PolarHBondContact OG1-N 3.12Å; T148-S151 VanDerWaalsContact OG1-N 3.17Å; T148-S152 WeakPolarHBondContact O-CB 3.28Å; T148-S152 PolarHBondContact O-N 3.49Å
149	I	86.5	Confident	90.6	Very high	154 Å²	154	80.7 Å²	80.7	79%	0.79	39%	0.385	S	S	*	.	H	α-helix	trans	-57.1	-42.1	179.4	-61.1	173.8	0	0	0	111.1	R153	I149-R153 WeakPolarHBondContact O-CB 3.46Å; I149-R153 PolarHBondContact O-N 3.43Å
150	Q	88.9	Confident	90.6	Very high	128 Å²	128	84.4 Å²	84.4	60%	0.598	40%	0.401	S	S	*	.	H	α-helix	trans	-65.6	-48.1	178.2	-68.5	-67.6	-9.9	0	0	111.6	T148 S152 R153 E154	T148-Q150 VanDerWaalsContact C-N 3.26Å; T148-Q150 PolarHBondContact O-N 2.92Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.36Å; Q150-R153 PolarHBondContact O-N 2.76Å; Q150-E154 WeakPolarHBondContact O-CG 3.4Å; Q150-E154 PolarHBondContact O-N 3.1Å
151	S	89.3	Confident	90.9	Very high	38 Å²	38	87.4 Å²	87.4	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-40.2	178	179	0	0	0	0	112.3	S146 T148 E154 A155	S146-S151 PolarHBondContact OG-O 2.97Å; S146-S151 PolarHBondContact OG-OG 2.92Å; T148-S151 PolarHBondContact O-N 3.27Å; T148-S151 WeakPolarHBondContact OG1-CB 3.21Å; T148-S151 PolarHBondContact OG1-N 3.12Å; T148-S151 VanDerWaalsContact OG1-N 3.17Å; S151-E154 PolarHBondContact O-N 3.11Å; S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 3.03Å
152	S	89.6	Confident	91.1	Very high	32 Å²	32	81.6 Å²	81.6	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-45.5	177.8	174.2	0	0	0	0	110.9	T148 Q150 E154 A155 E156	T148-S152 WeakPolarHBondContact O-CB 3.28Å; T148-S152 PolarHBondContact O-N 3.49Å; Q150-S152 VanDerWaalsContact C-N 3.32Å; Q150-S152 PolarHBondContact O-N 3.36Å; S152-E154 PolarHBondContact O-N 2.9Å; S152-A155 PolarHBondContact O-N 3.1Å; S152-E156 VanDerWaalsContact O-CG 3.32Å; S152-E156 WeakPolarHBondContact O-CG 3.39Å; S152-E156 PolarHBondContact O-N 2.95Å
153	R	90.9	Very high	91.1	Very high	162 Å²	162	78.7 Å²	78.7	61%	0.611	39%	0.385	S	S	*	.	H	α-helix	trans	-61.1	-42.1	176.8	-173.1	177.7	-177.9	168.8	0.7	112.7	I149 Q150 E156 I157	I149-R153 WeakPolarHBondContact O-CB 3.46Å; I149-R153 PolarHBondContact O-N 3.43Å; Q150-R153 PolarHBondContact O-N 2.76Å; R153-E156 PolarHBondContact O-N 2.94Å; R153-I157 WeakPolarHBondContact O-CG1 3.28Å; R153-I157 PolarHBondContact O-N 2.91Å
154	E	92.1	Very high	91.4	Very high	114 Å²	114	81.9 Å²	81.9	53%	0.533	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-42.3	175.8	-72	176.4	-175.6	0	0	112.1	Q150 S151 S152 I157 Q158	Q150-E154 WeakPolarHBondContact O-CG 3.4Å; Q150-E154 PolarHBondContact O-N 3.1Å; S151-E154 PolarHBondContact O-N 3.11Å; S152-E154 PolarHBondContact O-N 2.9Å; E154-I157 PolarHBondContact O-N 3.47Å; E154-Q158 WeakPolarHBondContact O-CG 3.34Å; E154-Q158 PolarHBondContact O-N 3.25Å
155	A	92.2	Very high	91.7	Very high	0 Å²	0	79.8 Å²	79.8	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-35.7	177.3	0	0	0	0	0	112.4	K142 L143 S151 S152 Q158 L159	K142-A155 HydrophobicContact CG-CB 4.4Å; L143-A155 HydrophobicContact CB-CB 4.01Å; L143-A155 HydrophobicContact CD1-CB 3.94Å; S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 3.03Å; S152-A155 PolarHBondContact O-N 3.1Å; A155-Q158 PolarHBondContact O-N 2.9Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.4Å; A155-L159 PolarHBondContact O-N 3.19Å
156	E	92	Very high	91.9	Very high	66 Å²	66	71.7 Å²	71.7	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-45.5	173.2	-76.7	174.7	179.3	0	0	111.7	L143 S152 R153 L159 H160	L143-E156 HydrophobicContact CD1-CG 3.6Å; L143-E156 HydrophobicContact CD2-CG 3.98Å; L143-E156 HydrophobicContact CG-CG 4.47Å; S152-E156 VanDerWaalsContact O-CG 3.32Å; S152-E156 WeakPolarHBondContact O-CG 3.39Å; S152-E156 PolarHBondContact O-N 2.95Å; R153-E156 PolarHBondContact O-N 2.94Å; E156-L159 PolarHBondContact O-N 3.44Å; E156-H160 WeakPolarHBondContact O-CB 3.37Å; E156-H160 PolarHBondContact O-N 3.49Å
157	I	93.6	Very high	92.2	Very high	95 Å²	95	73.9 Å²	73.9	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-43.8	177.6	-65.3	166.5	0	0	0	110.6	R153 E154 H160 N161	R153-I157 WeakPolarHBondContact O-CG1 3.28Å; R153-I157 PolarHBondContact O-N 2.91Å; E154-I157 PolarHBondContact O-N 3.47Å; I157-H160 PolarHBondContact O-N 2.99Å; I157-N161 VanDerWaalsContact O-CG 3.29Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.1Å
158	Q	94.2	Very high	92.5	Very high	71 Å²	71	74.2 Å²	74.2	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-42.1	178.3	-70.6	173.6	16.8	0	0	112	N139 E154 A155 N161 A162	N139-Q158 WeakPolarHBondContact OD1-CB 3.45Å; E154-Q158 WeakPolarHBondContact O-CG 3.34Å; E154-Q158 PolarHBondContact O-N 3.25Å; A155-Q158 PolarHBondContact O-N 2.9Å; Q158-N161 PolarHBondContact O-N 3.24Å; Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 3.33Å
159	L	93.6	Very high	92.9	Very high	8 Å²	8	70.9 Å²	70.9	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-48.2	174.4	175.2	58.8	0	0	0	111	I5 E136 N139 M140 L143 A155 E156 N161 A162 M163	I5-L159 HydrophobicContact CD1-CD2 4.47Å; E136-L159 HydrophobicContact CG-CD1 4.39Å; N139-L159 HydrophobicContact CB-CB 4.13Å; N139-L159 HydrophobicContact CB-CD1 4.24Å; M140-L159 HydrophobicContact CB-CD1 3.97Å; L143-L159 HydrophobicContact CD2-CD2 3.59Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.4Å; A155-L159 PolarHBondContact O-N 3.19Å; E156-L159 PolarHBondContact O-N 3.44Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.88Å; L159-A162 PolarHBondContact O-N 2.67Å; L159-A162 VanDerWaalsContact O-N 3.15Å; L159-M163 HydrophobicContact CD1-CG 3.94Å; L159-M163 HydrophobicContact CD1-SD 3.99Å; L159-M163 HydrophobicContact CD2-SD 4.37Å; L159-M163 HydrophobicContact CG-CG 4.26Å; L159-M163 HydrophobicContact CG-SD 3.76Å; L159-M163 WeakPolarHBondContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CG 3.47Å; L159-M163 PolarHBondContact O-N 3.06Å
160	H	93.3	Very high	93.3	Very high	103 Å²	103	64.2 Å²	64.2	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-57.7	-44.3	178	178.3	-92.8	0	0	0	112.1	E156 I157 M163 I164	E156-H160 WeakPolarHBondContact O-CB 3.37Å; E156-H160 PolarHBondContact O-N 3.49Å; I157-H160 PolarHBondContact O-N 2.99Å; H160-M163 PolarHBondContact O-N 3.25Å; H160-I164 WeakPolarHBondContact CE1-CD1 3.34Å; H160-I164 WeakPolarHBondContact O-CG1 3.36Å; H160-I164 PolarHBondContact O-N 3.38Å
161	N	95.2	Very high	93.6	Very high	94 Å²	94	62.5 Å²	62.5	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.9	-70.1	-18.3	0	0	0	112.2	I157 Q158 L159 I164 D165	I157-N161 VanDerWaalsContact O-CG 3.29Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.1Å; Q158-N161 PolarHBondContact O-N 3.24Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.88Å; N161-I164 PolarHBondContact O-N 3.08Å; N161-D165 WeakPolarHBondContact O-CB 3.3Å; N161-D165 PolarHBondContact O-N 2.94Å
162	A	94.8	Very high	93.8	Very high	6 Å²	6	64.8 Å²	64.8	5%	0.05	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-36.4	177	0	0	0	0	0	112.4	E136 N139 Q158 L159 D165 A166	E136-A162 HydrophobicContact CB-CB 4.37Å; N139-A162 HydrophobicContact CB-CB 4.42Å; Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 3.33Å; L159-A162 PolarHBondContact O-N 2.67Å; L159-A162 VanDerWaalsContact O-N 3.15Å; A162-D165 PolarHBondContact O-N 3.37Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.47Å
163	M	93.3	Very high	94.2	Very high	28 Å²	28	63.7 Å²	63.7	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-44.7	174.3	-73.9	171.4	23.7	0	0	111.9	R13 E136 L159 H160 D165 T167	R13-M163 VanDerWaalsContact CZ-SD 3.55Å; E136-M163 HydrophobicContact CG-CG 3.96Å; E136-M163 WeakPolarHBondContact OE1-CG 3.49Å; L159-M163 HydrophobicContact CD1-CG 3.94Å; L159-M163 HydrophobicContact CD1-SD 3.99Å; L159-M163 HydrophobicContact CD2-SD 4.37Å; L159-M163 HydrophobicContact CG-CG 4.26Å; L159-M163 HydrophobicContact CG-SD 3.76Å; L159-M163 WeakPolarHBondContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CG 3.47Å; L159-M163 PolarHBondContact O-N 3.06Å; H160-M163 PolarHBondContact O-N 3.25Å; M163-D165 VanDerWaalsContact C-N 3.35Å; M163-T167 WeakPolarHBondContact O-CB 3.15Å; M163-T167 PolarHBondContact O-N 2.99Å; M163-T167 PolarHBondContact O-OG1 2.88Å
164	I	95	Very high	94.4	Very high	93 Å²	93	60.3 Å²	60.3	48%	0.477	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-46.7	175.5	-70.9	172	0	0	0	110.2	H160 N161 T167 R168	H160-I164 WeakPolarHBondContact CE1-CD1 3.34Å; H160-I164 WeakPolarHBondContact O-CG1 3.36Å; H160-I164 PolarHBondContact O-N 3.38Å; N161-I164 PolarHBondContact O-N 3.08Å; I164-T167 PolarHBondContact O-N 3.38Å; I164-R168 WeakPolarHBondContact O-CB 3.41Å; I164-R168 PolarHBondContact O-N 3.43Å
165	D	95.8	Very high	94.5	Very high	48 Å²	48	63 Å²	63	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-43.6	-179.1	-165.9	33.3	0	0	0	112	R135 N161 A162 M163 T167 R168 S169	R135-D165 IonicContact CZ-OD2 3.67Å; R135-D165 IonicContact NH1-OD2 2.78Å; R135-D165 PolarHBondContact NH1-OD2 3.48Å; R135-D165 IonicContact NH2-OD2 3.71Å; R135-D165 PolarHBondContact NH2-OD2 3.34Å; N161-D165 WeakPolarHBondContact O-CB 3.3Å; N161-D165 PolarHBondContact O-N 2.94Å; A162-D165 PolarHBondContact O-N 3.37Å; M163-D165 VanDerWaalsContact C-N 3.35Å; D165-T167 PolarHBondContact O-N 3.38Å; D165-R168 PolarHBondContact O-N 3.18Å; D165-S169 WeakPolarHBondContact O-CB 3.15Å; D165-S169 PolarHBondContact O-N 3.02Å; D165-S169 PolarHBondContact O-OG 3.24Å
166	A	94.9	Very high	94.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-44.2	175.7	0	0	0	0	0	112.3	A132 E136 A162 S169 A170	A132-A166 HydrophobicContact CB-CB 4.31Å; E136-A166 HydrophobicContact CB-CB 4.22Å; E136-A166 VanDerWaalsContact OE2-CB 3.27Å; E136-A166 WeakPolarHBondContact OE2-CB 3.44Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.47Å; A166-S169 WeakPolarHBondContact CA-OG 3.48Å; A166-S169 PolarHBondContact O-N 3Å; A166-S169 PolarHBondContact O-OG 3Å; A166-A170 WeakPolarHBondContact O-CB 3.4Å; A166-A170 PolarHBondContact O-N 2.79Å
167	T	93.9	Very high	94.9	Very high	66 Å²	66	62.9 Å²	62.9	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-44.6	176.1	-54.1	0	0	0	0	110.9	M163 I164 D165 A170 N171	M163-T167 WeakPolarHBondContact O-CB 3.15Å; M163-T167 PolarHBondContact O-N 2.99Å; M163-T167 PolarHBondContact O-OG1 2.88Å; I164-T167 PolarHBondContact O-N 3.38Å; D165-T167 PolarHBondContact O-N 3.38Å; T167-A170 PolarHBondContact O-N 2.99Å; T167-N171 VanDerWaalsContact O-CG 3.31Å; T167-N171 PolarHBondContact O-N 2.94Å; T167-N171 PolarHBondContact O-ND2 3.19Å
168	R	95.9	Very high	95.1	Very high	166 Å²	166	63.7 Å²	63.7	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-61.5	-45.4	177.1	-177.7	-177.2	179.4	-173.9	-0.9	111.6	I164 D165 A170 N172	I164-R168 WeakPolarHBondContact O-CB 3.41Å; I164-R168 PolarHBondContact O-N 3.43Å; D165-R168 PolarHBondContact O-N 3.18Å; R168-A170 VanDerWaalsContact C-N 3.35Å; R168-N172 WeakPolarHBondContact O-CB 3.27Å; R168-N172 VanDerWaalsContact O-CG 3.23Å; R168-N172 PolarHBondContact O-N 2.73Å; R168-N172 PolarHBondContact O-ND2 3.39Å
169	S	95.8	Very high	95.2	Very high	15 Å²	15	64 Å²	64	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-35.6	178.6	61.3	0	0	0	0	112.7	A132 D165 A166 N172 L173	A132-S169 VanDerWaalsContact CB-OG 3.26Å; A132-S169 WeakPolarHBondContact CB-OG 3.48Å; D165-S169 WeakPolarHBondContact O-CB 3.15Å; D165-S169 PolarHBondContact O-N 3.02Å; D165-S169 PolarHBondContact O-OG 3.24Å; A166-S169 WeakPolarHBondContact CA-OG 3.48Å; A166-S169 PolarHBondContact O-N 3Å; A166-S169 PolarHBondContact O-OG 3Å; S169-N172 PolarHBondContact O-N 3.47Å; S169-L173 WeakPolarHBondContact O-CB 3.32Å; S169-L173 PolarHBondContact O-N 2.99Å
170	A	94.8	Very high	95.3	Very high	15 Å²	15	63.8 Å²	63.8	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-47.8	176.2	0	0	0	0	0	111.3	E129 A166 T167 R168 N172 L173 E174	E129-A170 HydrophobicContact CG-CB 4.41Å; A166-A170 WeakPolarHBondContact O-CB 3.4Å; A166-A170 PolarHBondContact O-N 2.79Å; T167-A170 PolarHBondContact O-N 2.99Å; R168-A170 VanDerWaalsContact C-N 3.35Å; A170-N172 VanDerWaalsContact C-N 3.3Å; A170-N172 PolarHBondContact O-N 3.11Å; A170-L173 PolarHBondContact O-N 2.75Å; A170-L173 VanDerWaalsContact O-N 3.17Å; A170-E174 PolarHBondContact O-N 3.18Å
171	N	94.8	Very high	95.5	Very high	91 Å²	91	61.1 Å²	61.1	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-38.6	175.9	-67.9	-19.9	0	0	0	112.2	T167 R175	T167-N171 VanDerWaalsContact O-CG 3.31Å; T167-N171 PolarHBondContact O-N 2.94Å; T167-N171 PolarHBondContact O-ND2 3.19Å; N171-R175 WeakPolarHBondContact O-CB 3.39Å; N171-R175 PolarHBondContact O-N 2.93Å
172	N	95.1	Very high	95.6	Very high	87 Å²	87	58.3 Å²	58.3	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175	-74.1	-14.6	0	0	0	111.6	R168 S169 A170 R175 C176	R168-N172 WeakPolarHBondContact O-CB 3.27Å; R168-N172 VanDerWaalsContact O-CG 3.23Å; R168-N172 PolarHBondContact O-N 2.73Å; R168-N172 PolarHBondContact O-ND2 3.39Å; S169-N172 PolarHBondContact O-N 3.47Å; A170-N172 VanDerWaalsContact C-N 3.3Å; A170-N172 PolarHBondContact O-N 3.11Å; N172-R175 PolarHBondContact O-N 3.48Å; N172-C176 WeakPolarHBondContact O-CB 3.49Å; N172-C176 PolarHBondContact O-N 3.45Å; N172-C176 PolarHBondContact O-SG 2.78Å
173	L	96.1	Very high	95.7	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-48.4	177.1	178.9	63.2	0	0	0	110.9	V27 L126 E129 S169 A170 R175 C176 V177	V27-L173 HydrophobicContact CG1-CD1 4.39Å; L126-L173 HydrophobicContact CB-CD1 4.31Å; L126-L173 HydrophobicContact CD1-CD2 3.86Å; E129-L173 HydrophobicContact CB-CB 4.39Å; E129-L173 HydrophobicContact CB-CD2 4.02Å; E129-L173 HydrophobicContact CG-CB 4.14Å; E129-L173 HydrophobicContact CG-CD2 3.79Å; S169-L173 WeakPolarHBondContact O-CB 3.32Å; S169-L173 PolarHBondContact O-N 2.99Å; A170-L173 PolarHBondContact O-N 2.75Å; A170-L173 VanDerWaalsContact O-N 3.17Å; L173-R175 PolarHBondContact O-N 3.16Å; L173-C176 PolarHBondContact O-N 3.01Å; L173-V177 HydrophobicContact CD1-CG2 3.93Å; L173-V177 HydrophobicContact CG-CG2 4.29Å; L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 2.87Å
174	E	95.4	Very high	95.9	Very high	90 Å²	90	63.1 Å²	63.1	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-55.1	-50.6	177.3	-178.3	178.7	-172.4	0	0	111.1	A170 C176 V177 L178	A170-E174 PolarHBondContact O-N 3.18Å; E174-C176 PolarHBondContact O-N 3.03Å; E174-V177 PolarHBondContact O-N 3.27Å; E174-L178 HydrophobicContact CG-CD1 4Å; E174-L178 WeakPolarHBondContact O-CB 3.3Å; E174-L178 WeakPolarHBondContact O-CG 3.25Å; E174-L178 PolarHBondContact O-N 2.8Å
175	R	95.9	Very high	96.1	Very high	170 Å²	170	63.4 Å²	63.4	64%	0.642	32%	0.315	S	S	*	.	H	α-helix	trans	-58.4	-49.5	177	-175.6	-176.9	177.4	113.7	3.7	112	N171 N172 L173 V177 L178 D179	N171-R175 WeakPolarHBondContact O-CB 3.39Å; N171-R175 PolarHBondContact O-N 2.93Å; N172-R175 PolarHBondContact O-N 3.48Å; L173-R175 PolarHBondContact O-N 3.16Å; R175-V177 VanDerWaalsContact C-N 3.3Å; R175-V177 PolarHBondContact O-N 3.19Å; R175-L178 PolarHBondContact O-N 3.38Å; R175-D179 IonicContact NE-OD2 3.69Å; R175-D179 VanDerWaalsContact O-CB 3.32Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 VanDerWaalsContact O-CG 3.31Å; R175-D179 PolarHBondContact O-N 3.23Å
176	C	95.4	Very high	96.2	Very high	35 Å²	35	69 Å²	69	24%	0.236	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-40	-179.4	-74.1	0	0	0	0	112.4	N172 L173 E174 F180	N172-C176 WeakPolarHBondContact O-CB 3.49Å; N172-C176 PolarHBondContact O-N 3.45Å; N172-C176 PolarHBondContact O-SG 2.78Å; L173-C176 PolarHBondContact O-N 3.01Å; E174-C176 PolarHBondContact O-N 3.03Å; C176-F180 VanDerWaalsContact O-CB 3.23Å; C176-F180 WeakPolarHBondContact O-CB 3.46Å; C176-F180 PolarHBondContact O-N 3.22Å
177	V	96.6	Very high	96.3	Very high	30 Å²	30	69.2 Å²	69.2	18%	0.182	34%	0.339	C	S	.	.	H	α-helix	trans	-69.7	-44	179.3	172.3	0	0	0	0	111.1	V27 I122 L173 E174 R175 F180 E181	V27-V177 HydrophobicContact CB-CG2 4.44Å; V27-V177 HydrophobicContact CG1-CG2 3.49Å; V27-V177 VanDerWaalsContact CG1-CG2 3.49Å; V27-V177 HydrophobicContact CG2-CG1 4.23Å; V27-V177 HydrophobicContact CG2-CG2 4.01Å; I122-V177 HydrophobicContact CG2-CG2 3.91Å; L173-V177 HydrophobicContact CD1-CG2 3.93Å; L173-V177 HydrophobicContact CG-CG2 4.29Å; L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 2.87Å; E174-V177 PolarHBondContact O-N 3.27Å; R175-V177 VanDerWaalsContact C-N 3.3Å; R175-V177 PolarHBondContact O-N 3.19Å; V177-F180 PolarHBondContact O-N 3.28Å; V177-E181 WeakPolarHBondContact O-CB 3.39Å; V177-E181 PolarHBondContact O-N 3.48Å
178	L	96.7	Very high	96.5	Very high	111 Å²	111	68.5 Å²	68.5	58%	0.581	33%	0.332	S	S	*	.	H	α-helix	trans	-64.3	-45.5	176.9	-70.9	174	0	0	0	111.8	E174 R175 F180 E181 G182	E174-L178 HydrophobicContact CG-CD1 4Å; E174-L178 WeakPolarHBondContact O-CB 3.3Å; E174-L178 WeakPolarHBondContact O-CG 3.25Å; E174-L178 PolarHBondContact O-N 2.8Å; R175-L178 PolarHBondContact O-N 3.38Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 PolarHBondContact O-N 3.31Å; L178-E181 PolarHBondContact O-N 2.95Å; L178-G182 PolarHBondContact O-N 3.25Å
179	D	96.5	Very high	96.6	Very high	79 Å²	79	68.1 Å²	68.1	42%	0.422	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-38.4	176.6	-74.9	-17.2	0	0	0	111.1	R175 R183	R175-D179 IonicContact NE-OD2 3.69Å; R175-D179 VanDerWaalsContact O-CB 3.32Å; R175-D179 WeakPolarHBondContact O-CB 3.24Å; R175-D179 VanDerWaalsContact O-CG 3.31Å; R175-D179 PolarHBondContact O-N 3.23Å; D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 VanDerWaalsContact O-CG 3.27Å; D179-R183 WeakPolarHBondContact O-CG 3.39Å; D179-R183 PolarHBondContact O-N 2.79Å; D179-R183 VanDerWaalsContact O-N 3.16Å; D179-R183 PolarHBondContact O-NE 3.41Å
180	F	97.1	Very high	96.7	Very high	3 Å²	3	74.3 Å²	74.3	1%	0.013	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-50.3	173.2	169.5	-107.3	0	0	0	112.4	I34 Y115 E118 I119 I122 C176 V177 L178 G182 R183 R184	I34-F180 HydrophobicContact CD1-CE1 3.9Å; I34-F180 HydrophobicContact CG2-CE1 4.47Å; I34-F180 HydrophobicContact CG2-CZ 4.08Å; Y115-F180 AromaticContact CD1-CE2 3.99Å; Y115-F180 HydrophobicContact CD1-CE2 3.99Å; E118-F180 HydrophobicContact CB-CD2 4.11Å; E118-F180 HydrophobicContact CB-CE2 4Å; E118-F180 WeakPolarHBondContact OE2-CD2 3.22Å; I119-F180 HydrophobicContact CG1-CE2 4.15Å; I119-F180 HydrophobicContact CG1-CZ 3.85Å; I122-F180 HydrophobicContact CD1-CB 3.49Å; I122-F180 VanDerWaalsContact CD1-CB 3.49Å; I122-F180 HydrophobicContact CD1-CD1 3.28Å; I122-F180 HydrophobicContact CD1-CD2 3.43Å; I122-F180 VanDerWaalsContact CD1-CD2 3.43Å; I122-F180 HydrophobicContact CD1-CE1 3.69Å; I122-F180 HydrophobicContact CD1-CE2 3.81Å; I122-F180 HydrophobicContact CD1-CG 3.11Å; I122-F180 HydrophobicContact CD1-CZ 3.93Å; I122-F180 HydrophobicContact CG1-CB 4.31Å; I122-F180 HydrophobicContact CG1-CG 4.35Å; C176-F180 VanDerWaalsContact O-CB 3.23Å; C176-F180 WeakPolarHBondContact O-CB 3.46Å; C176-F180 PolarHBondContact O-N 3.22Å; V177-F180 PolarHBondContact O-N 3.28Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 PolarHBondContact O-N 3.31Å; F180-G182 VanDerWaalsContact C-N 3.27Å; F180-G182 PolarHBondContact O-N 2.81Å; F180-R183 CarbonylContact O-C 3.59Å; F180-R183 PolarHBondContact O-N 3.22Å; F180-R183 VanDerWaalsContact O-N 3.1Å; F180-R184 HydrophobicContact CZ-CB 4.49Å; F180-R184 HydrophobicContact CZ-CG 4.49Å; F180-R184 VanDerWaalsContact O-CB 3.25Å; F180-R184 WeakPolarHBondContact O-CB 3.39Å; F180-R184 PolarHBondContact O-N 3.45Å
181	E	96.8	Very high	96.9	Very high	47 Å²	47	73.6 Å²	73.6	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-41.3	-176.9	-168.4	70.5	171.4	0	0	110.5	R30 V177 L178 R184 L185	R30-E181 IonicContact CZ-OE1 3.07Å; R30-E181 IonicContact NE-OE1 3.38Å; R30-E181 IonicContact NH2-OE1 2.66Å; R30-E181 PolarHBondContact NH2-OE1 3.41Å; V177-E181 WeakPolarHBondContact O-CB 3.39Å; V177-E181 PolarHBondContact O-N 3.48Å; L178-E181 PolarHBondContact O-N 2.95Å; E181-R184 PolarHBondContact O-N 3.01Å; E181-R184 IonicContact OE1-CZ 2.57Å; E181-R184 IonicContact OE1-NE 3.54Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 3.16Å; E181-R184 IonicContact OE2-CZ 2.71Å; E181-R184 IonicContact OE2-NE 3.56Å; E181-R184 PolarHBondContact OE2-NE 2.7Å; E181-R184 IonicContact OE2-NH2 2.96Å; E181-R184 PolarHBondContact OE2-NH2 3.5Å; E181-L185 HydrophobicContact CG-CD1 4.39Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.07Å
182	G	97.3	Very high	97.1	Very high	34 Å²	34	72.3 Å²	72.3	35%	0.351	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-42.7	174.2	0	0	0	0	0	113.7	L178 F180 K186	L178-G182 PolarHBondContact O-N 3.25Å; F180-G182 VanDerWaalsContact C-N 3.27Å; F180-G182 PolarHBondContact O-N 2.81Å; G182-K186 WeakPolarHBondContact O-CG 3.41Å; G182-K186 PolarHBondContact O-N 3.21Å
183	R	96.8	Very high	97.2	Very high	115 Å²	115	70.9 Å²	70.9	43%	0.434	34%	0.337	S	S	.	.	H	α-helix	trans	-70.9	-37.7	176.9	-71.9	-179.4	-54.7	105.9	11.2	112	Y115 E118 D179 F180 G187	Y115-R183 PolarHBondContact OH-O 2.97Å; E118-R183 IonicContact OE1-NH1 3.34Å; E118-R183 PolarHBondContact OE1-NH1 3.15Å; E118-R183 IonicContact OE2-CZ 3.25Å; E118-R183 IonicContact OE2-NH1 2.68Å; E118-R183 PolarHBondContact OE2-NH1 2.93Å; E118-R183 IonicContact OE2-NH2 3.59Å; E118-R183 PolarHBondContact OE2-NH2 3.04Å; D179-R183 WeakPolarHBondContact O-CB 3.39Å; D179-R183 VanDerWaalsContact O-CG 3.27Å; D179-R183 WeakPolarHBondContact O-CG 3.39Å; D179-R183 PolarHBondContact O-N 2.79Å; D179-R183 VanDerWaalsContact O-N 3.16Å; D179-R183 PolarHBondContact O-NE 3.41Å; F180-R183 CarbonylContact O-C 3.59Å; F180-R183 PolarHBondContact O-N 3.22Å; F180-R183 VanDerWaalsContact O-N 3.1Å; R183-G187 PolarHBondContact O-N 2.68Å
184	R	97.6	Very high	97.4	Very high	21 Å²	21	71.9 Å²	71.9	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-50.4	176.2	-174.2	-174.3	73	98	6.7	111.3	F38 Y115 F180 E181 K186 G187 L188	F38-R184 HydrophobicContact CE2-CG 4.09Å; F38-R184 HydrophobicContact CZ-CG 3.66Å; Y115-R184 HydrophobicContact CE1-CB 4.21Å; Y115-R184 HydrophobicContact CE1-CG 4.47Å; F180-R184 HydrophobicContact CZ-CB 4.49Å; F180-R184 HydrophobicContact CZ-CG 4.49Å; F180-R184 VanDerWaalsContact O-CB 3.25Å; F180-R184 WeakPolarHBondContact O-CB 3.39Å; F180-R184 PolarHBondContact O-N 3.45Å; E181-R184 PolarHBondContact O-N 3.01Å; E181-R184 IonicContact OE1-CZ 2.57Å; E181-R184 IonicContact OE1-NE 3.54Å; E181-R184 IonicContact OE1-NH2 2.68Å; E181-R184 PolarHBondContact OE1-NH2 3.16Å; E181-R184 IonicContact OE2-CZ 2.71Å; E181-R184 IonicContact OE2-NE 3.56Å; E181-R184 PolarHBondContact OE2-NE 2.7Å; E181-R184 IonicContact OE2-NH2 2.96Å; E181-R184 PolarHBondContact OE2-NH2 3.5Å; R184-K186 PolarHBondContact O-N 3.19Å; R184-G187 PolarHBondContact O-N 3.3Å; R184-L188 VanDerWaalsContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CB 3.43Å; R184-L188 PolarHBondContact O-N 3.02Å
185	L	97.9	Very high	97.5	Very high	98 Å²	98	70 Å²	70	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-46.4	179.7	-70.3	172.6	0	0	0	111.9	E181 K189	E181-L185 HydrophobicContact CG-CD1 4.39Å; E181-L185 VanDerWaalsContact O-CG 3.28Å; E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.07Å; L185-K189 WeakPolarHBondContact O-CB 3.47Å; L185-K189 PolarHBondContact O-N 3.33Å; L185-K189 VanDerWaalsContact O-N 3.15Å
186	K	97.8	Very high	97.7	Very high	167 Å²	167	66 Å²	66	73%	0.726	32%	0.324	S	S	*	.	H	α-helix	trans	-63.9	-44.4	177.3	-71.9	177.4	-178.5	178.9	0	112	G182 R184 R190	G182-K186 WeakPolarHBondContact O-CG 3.41Å; G182-K186 PolarHBondContact O-N 3.21Å; R184-K186 PolarHBondContact O-N 3.19Å; K186-R190 WeakPolarHBondContact O-CB 3.32Å; K186-R190 PolarHBondContact O-N 3.24Å; K186-R190 VanDerWaalsContact O-N 3.07Å
187	G	97.8	Very high	97.8	Very high	4 Å²	4	69.7 Å²	69.7	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-72	-39.3	-178.5	0	0	0	0	0	112.9	Y115 R183 R184 K189 R190 I191	Y115-G187 VanDerWaalsContact OH-CA 3.3Å; Y115-G187 WeakPolarHBondContact OH-CA 3.41Å; R183-G187 PolarHBondContact O-N 2.68Å; R184-G187 PolarHBondContact O-N 3.3Å; G187-K189 PolarHBondContact O-N 3.44Å; G187-R190 WeakPolarHBondContact O-CB 3.42Å; G187-R190 PolarHBondContact O-N 3.1Å; G187-R190 VanDerWaalsContact O-N 3.16Å; G187-I191 WeakPolarHBondContact O-CB 3.48Å; G187-I191 VanDerWaalsContact O-CG1 3.23Å; G187-I191 WeakPolarHBondContact O-CG1 3.02Å; G187-I191 PolarHBondContact O-N 3.44Å
188	L	97.9	Very high	97.9	Very high	51 Å²	51	68.6 Å²	68.6	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-49.1	173.7	-179.9	63.2	0	0	0	110.8	F38 R184 R190 I191 I192	F38-L188 HydrophobicContact CE1-CD1 4.27Å; F38-L188 HydrophobicContact CZ-CB 4.48Å; F38-L188 HydrophobicContact CZ-CD1 4.31Å; R184-L188 VanDerWaalsContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CB 3.43Å; R184-L188 PolarHBondContact O-N 3.02Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.93Å; L188-I191 PolarHBondContact O-N 3.04Å; L188-I192 HydrophobicContact CD1-CD1 4.49Å; L188-I192 HydrophobicContact CD1-CG1 3.99Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.24Å
189	K	98.5	Very high	98	Very high	158 Å²	158	64.4 Å²	64.4	69%	0.687	31%	0.308	S	S	*	.	H	α-helix	trans	-54.3	-46.8	174.7	-179.2	177.1	-179.8	175.3	0	111.2	L185 G187 T193	L185-K189 WeakPolarHBondContact O-CB 3.47Å; L185-K189 PolarHBondContact O-N 3.33Å; L185-K189 VanDerWaalsContact O-N 3.15Å; G187-K189 PolarHBondContact O-N 3.44Å; K189-T193 VanDerWaalsContact O-CB 3.26Å; K189-T193 WeakPolarHBondContact O-CB 3.45Å; K189-T193 PolarHBondContact O-N 3.29Å; K189-T193 PolarHBondContact O-OG1 3Å
190	R	98.6	Very high	98.1	Very high	145 Å²	145	66.6 Å²	66.6	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-50.6	179	-177.6	-178.7	65.8	-163.7	-1.3	112.1	K186 G187 L188 I192 T193 D194	K186-R190 WeakPolarHBondContact O-CB 3.32Å; K186-R190 PolarHBondContact O-N 3.24Å; K186-R190 VanDerWaalsContact O-N 3.07Å; G187-R190 WeakPolarHBondContact O-CB 3.42Å; G187-R190 PolarHBondContact O-N 3.1Å; G187-R190 VanDerWaalsContact O-N 3.16Å; L188-R190 VanDerWaalsContact C-N 3.28Å; L188-R190 PolarHBondContact O-N 2.93Å; R190-I192 PolarHBondContact O-N 2.81Å; R190-T193 PolarHBondContact O-N 2.94Å; R190-D194 WeakPolarHBondContact CG-OD2 3.37Å; R190-D194 WeakPolarHBondContact O-CB 3.37Å; R190-D194 PolarHBondContact O-N 2.7Å
191	I	98.4	Very high	98.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.2	-48.8	-177.4	-73.3	166.1	0	0	0	110.8	V108 P111 L112 Y115 G187 L188 D194 F195	V108-I191 HydrophobicContact CB-CG2 4.47Å; V108-I191 HydrophobicContact CG1-CG2 3.65Å; P111-I191 HydrophobicContact CB-CD1 3.95Å; P111-I191 HydrophobicContact CB-CG1 4.03Å; L112-I191 HydrophobicContact CB-CD1 4.28Å; L112-I191 HydrophobicContact CD1-CD1 4.42Å; Y115-I191 HydrophobicContact CE2-CD1 3.94Å; G187-I191 WeakPolarHBondContact O-CB 3.48Å; G187-I191 VanDerWaalsContact O-CG1 3.23Å; G187-I191 WeakPolarHBondContact O-CG1 3.02Å; G187-I191 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 3.04Å; I191-D194 PolarHBondContact O-N 3.33Å; I191-F195 PolarHBondContact O-N 3.11Å
192	I	98.4	Very high	98.2	Very high	64 Å²	64	69.1 Å²	69.1	33%	0.328	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-39.7	179.1	-60.8	-59.1	0	0	0	111.1	L41 L188 R190 F195 I196	L41-I192 HydrophobicContact CD2-CD1 4.36Å; L188-I192 HydrophobicContact CD1-CD1 4.49Å; L188-I192 HydrophobicContact CD1-CG1 3.99Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.24Å; R190-I192 PolarHBondContact O-N 2.81Å; I192-F195 PolarHBondContact O-N 3.46Å; I192-I196 HydrophobicContact CG2-CD1 3.92Å; I192-I196 WeakPolarHBondContact O-CG1 3.45Å; I192-I196 PolarHBondContact O-N 3.39Å
193	T	98.7	Very high	98.3	Very high	57 Å²	57	73 Å²	73	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.2	-58.2	0	0	0	0	111.4	K189 R190 I196 Q197	K189-T193 VanDerWaalsContact O-CB 3.26Å; K189-T193 WeakPolarHBondContact O-CB 3.45Å; K189-T193 PolarHBondContact O-N 3.29Å; K189-T193 PolarHBondContact O-OG1 3Å; R190-T193 PolarHBondContact O-N 2.94Å; T193-I196 PolarHBondContact O-N 3.06Å; T193-Q197 HydrophobicContact CG2-CG 4.34Å; T193-Q197 WeakPolarHBondContact O-CB 3.46Å; T193-Q197 VanDerWaalsContact O-CG 3.26Å; T193-Q197 WeakPolarHBondContact O-CG 3.45Å; T193-Q197 PolarHBondContact O-N 3.24Å
194	D	98.6	Very high	98.4	Very high	30 Å²	30	70.2 Å²	70.2	16%	0.16	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-44.5	177.9	-82	-36.3	0	0	0	110.6	K107 R190 I191 Q197 I198	K107-D194 HydrophobicContact CB-CB 4.31Å; R190-D194 WeakPolarHBondContact CG-OD2 3.37Å; R190-D194 WeakPolarHBondContact O-CB 3.37Å; R190-D194 PolarHBondContact O-N 2.7Å; I191-D194 PolarHBondContact O-N 3.33Å; D194-Q197 PolarHBondContact O-N 3.05Å; D194-I198 WeakPolarHBondContact O-CB 3.47Å; D194-I198 VanDerWaalsContact O-CD1 3.3Å; D194-I198 WeakPolarHBondContact O-CD1 3.37Å; D194-I198 WeakPolarHBondContact O-CG1 3.33Å; D194-I198 PolarHBondContact O-N 3.42Å
195	F	98.7	Very high	98.4	Very high	50 Å²	50	72.1 Å²	72.1	22%	0.219	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-53.7	175.8	178	-107	0	0	0	111.7	L45 Y48 I104 V108 I191 I192 Q197 I198 E199	L45-F195 HydrophobicContact CD2-CD2 4.1Å; L45-F195 HydrophobicContact CD2-CE2 3.94Å; L45-F195 HydrophobicContact CD2-CZ 4.42Å; Y48-F195 HydrophobicContact CD1-CE2 4.44Å; Y48-F195 HydrophobicContact CE1-CE2 4.12Å; Y48-F195 HydrophobicContact CE1-CZ 4.41Å; I104-F195 HydrophobicContact CD1-CD2 4.46Å; I104-F195 HydrophobicContact CD1-CE2 4.13Å; I104-F195 HydrophobicContact CG1-CD2 4.39Å; I104-F195 HydrophobicContact CG2-CD2 4.45Å; V108-F195 HydrophobicContact CG1-CB 4.07Å; V108-F195 HydrophobicContact CG1-CD2 4.37Å; V108-F195 HydrophobicContact CG2-CB 3.83Å; V108-F195 HydrophobicContact CG2-CD2 4.3Å; I191-F195 PolarHBondContact O-N 3.11Å; I192-F195 PolarHBondContact O-N 3.46Å; F195-Q197 VanDerWaalsContact C-N 3.31Å; F195-Q197 PolarHBondContact O-N 3.28Å; F195-I198 PolarHBondContact O-N 3.18Å; F195-I198 VanDerWaalsContact O-N 3.16Å; F195-E199 HydrophobicContact CD2-CG 4.48Å; F195-E199 HydrophobicContact CE1-CG 4.22Å; F195-E199 HydrophobicContact CE2-CG 4.06Å; F195-E199 HydrophobicContact CZ-CG 3.92Å; F195-E199 WeakPolarHBondContact O-CG 3.37Å; F195-E199 PolarHBondContact O-N 2.91Å
196	I	98.7	Very high	98.4	Very high	87 Å²	87	67.9 Å²	67.9	45%	0.446	33%	0.329	S	S	.	.	H	α-helix	trans	-58.9	-43.2	179.1	-65.8	166	0	0	0	111	I192 T193 I198 E199 M200	I192-I196 HydrophobicContact CG2-CD1 3.92Å; I192-I196 WeakPolarHBondContact O-CG1 3.45Å; I192-I196 PolarHBondContact O-N 3.39Å; T193-I196 PolarHBondContact O-N 3.06Å; I196-I198 VanDerWaalsContact C-N 3.35Å; I196-I198 PolarHBondContact O-N 2.95Å; I196-E199 PolarHBondContact O-N 2.83Å; I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 3.94Å; I196-M200 WeakPolarHBondContact O-CB 3.37Å; I196-M200 WeakPolarHBondContact O-CG 3.27Å; I196-M200 PolarHBondContact O-N 3.3Å
197	Q	98.7	Very high	98.5	Very high	112 Å²	112	65.7 Å²	65.7	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-34.9	179.1	-74.7	179.6	-8	0	0	113.2	T193 D194 F195 L201	T193-Q197 HydrophobicContact CG2-CG 4.34Å; T193-Q197 WeakPolarHBondContact O-CB 3.46Å; T193-Q197 VanDerWaalsContact O-CG 3.26Å; T193-Q197 WeakPolarHBondContact O-CG 3.45Å; T193-Q197 PolarHBondContact O-N 3.24Å; D194-Q197 PolarHBondContact O-N 3.05Å; F195-Q197 VanDerWaalsContact C-N 3.31Å; F195-Q197 PolarHBondContact O-N 3.28Å; Q197-L201 VanDerWaalsContact O-CB 3.31Å; Q197-L201 WeakPolarHBondContact O-CB 3.43Å; Q197-L201 PolarHBondContact O-N 2.97Å
198	I	98.7	Very high	98.5	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-49.6	175.7	-69.3	158.7	0	0	0	109.9	E100 R103 I104 K107 V108 D194 F195 I196 L201 W202	E100-I198 HydrophobicContact CB-CG2 4.43Å; E100-I198 HydrophobicContact CG-CG2 4.02Å; R103-I198 HydrophobicContact CB-CD1 3.75Å; R103-I198 HydrophobicContact CB-CG1 3.93Å; R103-I198 HydrophobicContact CB-CG2 4.02Å; I104-I198 HydrophobicContact CD1-CG2 4.43Å; I104-I198 HydrophobicContact CG1-CD1 4.43Å; I104-I198 HydrophobicContact CG1-CG2 3.84Å; K107-I198 HydrophobicContact CB-CD1 4.23Å; K107-I198 HydrophobicContact CD-CD1 4.31Å; V108-I198 HydrophobicContact CG2-CD1 4.07Å; D194-I198 WeakPolarHBondContact O-CB 3.47Å; D194-I198 VanDerWaalsContact O-CD1 3.3Å; D194-I198 WeakPolarHBondContact O-CD1 3.37Å; D194-I198 WeakPolarHBondContact O-CG1 3.33Å; D194-I198 PolarHBondContact O-N 3.42Å; F195-I198 PolarHBondContact O-N 3.18Å; F195-I198 VanDerWaalsContact O-N 3.16Å; I196-I198 VanDerWaalsContact C-N 3.35Å; I196-I198 PolarHBondContact O-N 2.95Å; I198-L201 PolarHBondContact O-N 2.87Å; I198-W202 PolarHBondContact O-N 3.1Å
199	E	98.4	Very high	98.5	Very high	23 Å²	23	68.7 Å²	68.7	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-45.4	177.7	-69.4	-71.2	153	0	0	111.6	Y48 F195 I196 L201 W202 H203	Y48-E199 VanDerWaalsContact CE1-OE1 3.28Å; Y48-E199 WeakPolarHBondContact CE1-OE1 3.07Å; Y48-E199 PolarHBondContact OH-OE1 2.91Å; Y48-E199 PolarHBondContact OH-OE2 3.27Å; F195-E199 HydrophobicContact CD2-CG 4.48Å; F195-E199 HydrophobicContact CE1-CG 4.22Å; F195-E199 HydrophobicContact CE2-CG 4.06Å; F195-E199 HydrophobicContact CZ-CG 3.92Å; F195-E199 WeakPolarHBondContact O-CG 3.37Å; F195-E199 PolarHBondContact O-N 2.91Å; I196-E199 PolarHBondContact O-N 2.83Å; E199-L201 VanDerWaalsContact C-N 3.29Å; E199-L201 PolarHBondContact O-N 3.35Å; E199-W202 PolarHBondContact O-N 3.3Å; E199-H203 PolarHBondContact O-CD2 3.24Å; E199-H203 PolarHBondContact O-N 2.96Å; E199-H203 IonicContact OE2-NE2 3.81Å
200	M	98.7	Very high	98.5	Very high	125 Å²	125	65 Å²	65	62%	0.616	32%	0.324	S	S	*	.	H	α-helix	trans	-57.1	-43.1	174.8	-75.5	177.4	72.1	0	0	112.1	I196 A204	I196-M200 HydrophobicContact CG2-CG 4.28Å; I196-M200 HydrophobicContact CG2-SD 3.94Å; I196-M200 WeakPolarHBondContact O-CB 3.37Å; I196-M200 WeakPolarHBondContact O-CG 3.27Å; I196-M200 PolarHBondContact O-N 3.3Å; M200-A204 WeakPolarHBondContact O-CB 3.39Å; M200-A204 PolarHBondContact O-N 3.47Å
201	L	98.3	Very high	98.5	Very high	78 Å²	78	61.2 Å²	61.2	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-40.4	180	178.1	57.2	0	0	0	111.6	Q197 I198 E199 K205	Q197-L201 VanDerWaalsContact O-CB 3.31Å; Q197-L201 WeakPolarHBondContact O-CB 3.43Å; Q197-L201 PolarHBondContact O-N 2.97Å; I198-L201 PolarHBondContact O-N 2.87Å; E199-L201 VanDerWaalsContact C-N 3.29Å; E199-L201 PolarHBondContact O-N 3.35Å; L201-K205 HydrophobicContact CD1-CG 4.43Å; L201-K205 PolarHBondContact O-N 3.28Å; L201-K205 VanDerWaalsContact O-N 3.1Å
202	W	98.1	Very high	98.5	Very high	24 Å²	24	63.1 Å²	63.1	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-55	172.6	162.6	-124.5	0	0	0	111	L93 Y96 R97 E100 I198 E199 A204 K205 A206	L93-W202 HydrophobicContact CD1-CH2 3.52Å; L93-W202 HydrophobicContact CD1-CZ2 4.39Å; L93-W202 HydrophobicContact CD1-CZ3 3.91Å; L93-W202 HydrophobicContact CG-CH2 3.91Å; L93-W202 VanDerWaalsContact O-CH2 3.27Å; L93-W202 WeakPolarHBondContact O-CH2 3.26Å; L93-W202 WeakPolarHBondContact O-CZ3 3.48Å; Y96-W202 VanDerWaalsContact CB-CZ3 3.49Å; R97-W202 HydrophobicContact CB-CE3 4.49Å; R97-W202 HydrophobicContact CB-CH2 3.57Å; R97-W202 HydrophobicContact CB-CZ2 3.95Å; R97-W202 HydrophobicContact CB-CZ3 3.89Å; R97-W202 HydrophobicContact CG-CH2 4.1Å; R97-W202 HydrophobicContact CG-CZ2 3.94Å; E100-W202 HydrophobicContact CB-CB 4.22Å; E100-W202 HydrophobicContact CB-CG 4.44Å; E100-W202 VanDerWaalsContact CD-CD1 3.4Å; E100-W202 VanDerWaalsContact CD-CG 3.46Å; E100-W202 HydrophobicContact CG-CB 4.29Å; E100-W202 HydrophobicContact CG-CG 4.45Å; E100-W202 VanDerWaalsContact OE1-CB 3.3Å; E100-W202 WeakPolarHBondContact OE1-CB 3.35Å; E100-W202 PolarHBondContact OE2-NE1 2.94Å; I198-W202 PolarHBondContact O-N 3.1Å; E199-W202 PolarHBondContact O-N 3.3Å; W202-A204 VanDerWaalsContact C-N 3.29Å; W202-A204 PolarHBondContact O-N 3.2Å; W202-K205 CarbonylContact O-C 3.59Å; W202-K205 PolarHBondContact O-N 3.29Å; W202-A206 HydrophobicContact CD2-CB 4.36Å; W202-A206 HydrophobicContact CE3-CB 4.37Å; W202-A206 HydrophobicContact CH2-CB 4.18Å; W202-A206 HydrophobicContact CZ2-CB 4.16Å; W202-A206 HydrophobicContact CZ3-CB 4.26Å; W202-A206 WeakPolarHBondContact O-CB 3.36Å; W202-A206 PolarHBondContact O-N 3.45Å
203	H	98.4	Very high	98.5	Very high	115 Å²	115	60.4 Å²	60.4	53%	0.532	32%	0.318	S	S	.	.	H	α-helix	trans	-57.7	-40.2	179.9	-74.4	-52	0	0	0	113	E199 A206 L207	E199-H203 PolarHBondContact O-CD2 3.24Å; E199-H203 PolarHBondContact O-N 2.96Å; E199-H203 IonicContact OE2-NE2 3.81Å; H203-A206 PolarHBondContact O-N 3.21Å; H203-L207 WeakPolarHBondContact O-CB 3.36Å; H203-L207 PolarHBondContact O-N 3.14Å
204	A	98.7	Very high	98.5	Very high	57 Å²	57	64.3 Å²	64.3	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-44	175.5	0	0	0	0	0	112	M200 W202 E208	M200-A204 WeakPolarHBondContact O-CB 3.39Å; M200-A204 PolarHBondContact O-N 3.47Å; W202-A204 VanDerWaalsContact C-N 3.29Å; W202-A204 PolarHBondContact O-N 3.2Å; A204-E208 WeakPolarHBondContact O-CB 3.48Å; A204-E208 PolarHBondContact O-N 3.03Å; A204-E208 VanDerWaalsContact O-N 3.11Å
205	K	98.4	Very high	98.5	Very high	61 Å²	61	67.1 Å²	67.1	27%	0.265	34%	0.342	S	S	.	.	H	α-helix	trans	-71.2	-37	177.7	-74.8	-55.9	-172.3	-177.1	0	113.4	Y96 L201 W202 E208 T209	Y96-K205 HydrophobicContact CD1-CB 4.32Å; Y96-K205 HydrophobicContact CD1-CG 4.25Å; Y96-K205 HydrophobicContact CD2-CB 4.04Å; Y96-K205 HydrophobicContact CE1-CD 4.2Å; Y96-K205 HydrophobicContact CE1-CG 4.16Å; Y96-K205 HydrophobicContact CE2-CB 4.27Å; Y96-K205 HydrophobicContact CE2-CD 4.31Å; Y96-K205 HydrophobicContact CG-CB 4.08Å; L201-K205 HydrophobicContact CD1-CG 4.43Å; L201-K205 PolarHBondContact O-N 3.28Å; L201-K205 VanDerWaalsContact O-N 3.1Å; W202-K205 CarbonylContact O-C 3.59Å; W202-K205 PolarHBondContact O-N 3.29Å; K205-E208 WeakPolarHBondContact CD-OE2 3.38Å; K205-E208 IonicContact NZ-OE1 2.65Å; K205-E208 IonicContact NZ-OE2 3.29Å; K205-E208 PolarHBondContact NZ-OE2 3.44Å; K205-T209 WeakPolarHBondContact O-CB 3.31Å; K205-T209 PolarHBondContact O-N 3.11Å; K205-T209 PolarHBondContact O-OG1 3.35Å
206	A	98.5	Very high	98.5	Very high	10 Å²	10	65 Å²	65	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-48.1	174.3	0	0	0	0	0	110.7	L93 W202 H203 E208 T209 L210	L93-A206 HydrophobicContact CD1-CB 3.72Å; W202-A206 HydrophobicContact CD2-CB 4.36Å; W202-A206 HydrophobicContact CE3-CB 4.37Å; W202-A206 HydrophobicContact CH2-CB 4.18Å; W202-A206 HydrophobicContact CZ2-CB 4.16Å; W202-A206 HydrophobicContact CZ3-CB 4.26Å; W202-A206 WeakPolarHBondContact O-CB 3.36Å; W202-A206 PolarHBondContact O-N 3.45Å; H203-A206 PolarHBondContact O-N 3.21Å; A206-E208 PolarHBondContact O-N 3.37Å; A206-T209 PolarHBondContact O-N 2.82Å; A206-L210 VanDerWaalsContact O-CB 3.24Å; A206-L210 WeakPolarHBondContact O-CB 3.33Å; A206-L210 VanDerWaalsContact O-CG 3.25Å; A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 3.17Å
207	L	98.7	Very high	98.4	Very high	120 Å²	120	63.7 Å²	63.7	63%	0.628	33%	0.327	S	S	*	.	H	α-helix	trans	-60.5	-46.4	178	-177.7	63.3	0	0	0	112.1	H203 T209 T211	H203-L207 WeakPolarHBondContact O-CB 3.36Å; H203-L207 PolarHBondContact O-N 3.14Å; L207-T209 VanDerWaalsContact C-N 3.35Å; L207-T209 PolarHBondContact O-N 3.32Å; L207-T211 VanDerWaalsContact O-CB 3.3Å; L207-T211 WeakPolarHBondContact O-CB 3.49Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 3.44Å
208	E	98.4	Very high	98.4	Very high	109 Å²	109	64 Å²	64	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-57.3	-46.7	176.5	-177.1	-176.5	-179.9	0	0	111.6	A204 K205 A206 S212	A204-E208 WeakPolarHBondContact O-CB 3.48Å; A204-E208 PolarHBondContact O-N 3.03Å; A204-E208 VanDerWaalsContact O-N 3.11Å; K205-E208 WeakPolarHBondContact CD-OE2 3.38Å; K205-E208 IonicContact NZ-OE1 2.65Å; K205-E208 IonicContact NZ-OE2 3.29Å; K205-E208 PolarHBondContact NZ-OE2 3.44Å; A206-E208 PolarHBondContact O-N 3.37Å; E208-S212 PolarHBondContact O-N 3.22Å; E208-S212 PolarHBondContact O-OG 3.47Å; E208-S212 VanDerWaalsContact O-OG 3.04Å
209	T	98.5	Very high	98.1	Very high	10 Å²	10	68.5 Å²	68.5	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-72.3	-44.4	-176.9	-51.8	0	0	0	0	111.7	Y89 T92 L93 K205 A206 L207 T211 S212 A213	Y89-T209 HydrophobicContact CD1-CG2 4.27Å; Y89-T209 VanDerWaalsContact O-CG2 3.22Å; Y89-T209 WeakPolarHBondContact O-CG2 3.49Å; T92-T209 HydrophobicContact CG2-CG2 4.4Å; L93-T209 HydrophobicContact CB-CG2 4.1Å; K205-T209 WeakPolarHBondContact O-CB 3.31Å; K205-T209 PolarHBondContact O-N 3.11Å; K205-T209 PolarHBondContact O-OG1 3.35Å; A206-T209 PolarHBondContact O-N 2.82Å; L207-T209 VanDerWaalsContact C-N 3.35Å; L207-T209 PolarHBondContact O-N 3.32Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.38Å; T209-S212 WeakPolarHBondContact O-CB 3.46Å; T209-S212 PolarHBondContact O-N 3.2Å; T209-S212 VanDerWaalsContact O-N 3.1Å; T209-A213 PolarHBondContact O-N 2.99Å
210	L	98.6	Very high	98	Very high	79 Å²	79	69.3 Å²	69.3	41%	0.414	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.8	-73.2	168.6	0	0	0	112.1	L93 A206 S212 A213 Y214	L93-L210 HydrophobicContact CD1-CG 4.45Å; L93-L210 HydrophobicContact CD2-CD2 3.81Å; L93-L210 HydrophobicContact CD2-CG 4.14Å; A206-L210 VanDerWaalsContact O-CB 3.24Å; A206-L210 WeakPolarHBondContact O-CB 3.33Å; A206-L210 VanDerWaalsContact O-CG 3.25Å; A206-L210 WeakPolarHBondContact O-CG 3.49Å; A206-L210 PolarHBondContact O-N 3.17Å; L210-S212 VanDerWaalsContact C-N 3.28Å; L210-S212 PolarHBondContact O-N 3.49Å; L210-A213 PolarHBondContact O-N 3.05Å; L210-Y214 WeakPolarHBondContact O-CB 3.49Å; L210-Y214 PolarHBondContact O-N 2.93Å
211	T	98.7	Very high	97.9	Very high	66 Å²	66	68.3 Å²	68.3	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-39	172.6	-58.3	0	0	0	0	111.1	L207 T209 Y214 N215	L207-T211 VanDerWaalsContact O-CB 3.3Å; L207-T211 WeakPolarHBondContact O-CB 3.49Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 3.44Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.38Å; T211-Y214 PolarHBondContact O-N 3.24Å; T211-N215 PolarHBondContact O-N 3.44Å; T211-N215 PolarHBondContact O-ND2 2.98Å
212	S	98.5	Very high	97.8	Very high	40 Å²	40	70.9 Å²	70.9	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-68.7	-40.8	176.6	-55.7	0	0	0	0	111.9	Y89 E208 T209 L210 N215 A216	Y89-S212 VanDerWaalsContact CE1-CB 3.43Å; E208-S212 PolarHBondContact O-N 3.22Å; E208-S212 PolarHBondContact O-OG 3.47Å; E208-S212 VanDerWaalsContact O-OG 3.04Å; T209-S212 WeakPolarHBondContact O-CB 3.46Å; T209-S212 PolarHBondContact O-N 3.2Å; T209-S212 VanDerWaalsContact O-N 3.1Å; L210-S212 VanDerWaalsContact C-N 3.28Å; L210-S212 PolarHBondContact O-N 3.49Å; S212-N215 PolarHBondContact O-N 2.96Å; S212-A216 PolarHBondContact O-N 3.35Å
213	A	98.4	Very high	97.7	Very high	7 Å²	7	75.3 Å²	75.3	6%	0.058	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-42.4	172.8	0	0	0	0	0	112.2	Y89 T209 L210 A216 I217	Y89-A213 HydrophobicContact CD2-CB 4.04Å; Y89-A213 HydrophobicContact CG-CB 4.16Å; T209-A213 PolarHBondContact O-N 2.99Å; L210-A213 PolarHBondContact O-N 3.05Å; A213-A216 WeakPolarHBondContact O-CB 3.22Å; A213-A216 PolarHBondContact O-N 3.27Å; A213-I217 PolarHBondContact O-N 3.02Å
214	Y	98.5	Very high	97.6	Very high	140 Å²	140	71.3 Å²	71.3	55%	0.549	37%	0.369	S	S	.	.	H	α-helix	trans	-57.6	-49.9	174.7	177.4	-94	0	0	0	111	L210 T211 A216 I217 Q218	L210-Y214 WeakPolarHBondContact O-CB 3.49Å; L210-Y214 PolarHBondContact O-N 2.93Å; T211-Y214 PolarHBondContact O-N 3.24Å; Y214-A216 VanDerWaalsContact C-N 3.26Å; Y214-A216 PolarHBondContact O-N 3.28Å; Y214-I217 WeakPolarHBondContact O-CG2 3.4Å; Y214-I217 PolarHBondContact O-N 3.29Å; Y214-Q218 HydrophobicContact CD1-CG 4.3Å; Y214-Q218 HydrophobicContact CE1-CG 3.95Å; Y214-Q218 WeakPolarHBondContact O-CG 3.47Å; Y214-Q218 PolarHBondContact O-N 2.65Å
215	N	98.3	Very high	97.5	Very high	89 Å²	89	68.9 Å²	68.9	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-32.6	177.5	-69.1	-32.1	0	0	0	112.7	T211 S212 Q218	T211-N215 PolarHBondContact O-N 3.44Å; T211-N215 PolarHBondContact O-ND2 2.98Å; S212-N215 PolarHBondContact O-N 2.96Å; N215-Q218 PolarHBondContact O-N 3.37Å
216	A	97.6	Very high	97.4	Very high	4 Å²	4	70.7 Å²	70.7	3%	0.033	36%	0.36	C	S	.	.	H	α-helix	trans	-68.2	-38.9	177.5	0	0	0	0	0	112.8	K85 V86 Y89 S212 A213 Y214 Q218 L219	K85-A216 HydrophobicContact CB-CB 3.81Å; K85-A216 HydrophobicContact CD-CB 4.29Å; V86-A216 HydrophobicContact CG2-CB 4.41Å; Y89-A216 HydrophobicContact CD2-CB 4.26Å; Y89-A216 HydrophobicContact CE2-CB 3.83Å; S212-A216 PolarHBondContact O-N 3.35Å; A213-A216 WeakPolarHBondContact O-CB 3.22Å; A213-A216 PolarHBondContact O-N 3.27Å; Y214-A216 VanDerWaalsContact C-N 3.26Å; Y214-A216 PolarHBondContact O-N 3.28Å; A216-Q218 VanDerWaalsContact C-N 3.31Å; A216-L219 WeakPolarHBondContact O-CB 3.33Å; A216-L219 PolarHBondContact O-N 3.28Å
217	I	97.6	Very high	97.3	Very high	61 Å²	61	75.2 Å²	75.2	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-70.4	-28.8	175.7	-166.5	61.9	0	0	0	112	A82 V86 A213 Y214 L219 L220	A82-I217 HydrophobicContact CB-CD1 4.2Å; V86-I217 HydrophobicContact CG2-CB 4.05Å; A213-I217 PolarHBondContact O-N 3.02Å; Y214-I217 WeakPolarHBondContact O-CG2 3.4Å; Y214-I217 PolarHBondContact O-N 3.29Å; I217-L219 PolarHBondContact O-N 2.93Å; I217-L219 VanDerWaalsContact O-N 3.1Å; I217-L220 HydrophobicContact CD1-CB 4.48Å; I217-L220 HydrophobicContact CD1-CD1 4.03Å; I217-L220 VanDerWaalsContact O-CB 3.27Å; I217-L220 WeakPolarHBondContact O-CB 3.29Å; I217-L220 PolarHBondContact O-N 2.71Å; I217-L220 VanDerWaalsContact O-N 3.07Å
218	Q	97.5	Very high	97	Very high	117 Å²	117	72.6 Å²	72.6	55%	0.547	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.6	171.9	-60	-48.1	-54.9	0	0	113.8	Y214 N215 A216 L220	Y214-Q218 HydrophobicContact CD1-CG 4.3Å; Y214-Q218 HydrophobicContact CE1-CG 3.95Å; Y214-Q218 WeakPolarHBondContact O-CG 3.47Å; Y214-Q218 PolarHBondContact O-N 2.65Å; N215-Q218 PolarHBondContact O-N 3.37Å; A216-Q218 VanDerWaalsContact C-N 3.31Å; Q218-L220 VanDerWaalsContact C-N 3.33Å
219	L	94	Very high	96.9	Very high	104 Å²	104	71.7 Å²	71.7	55%	0.545	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8	174.4	-59.9	176.1	0	0	0	113.3	A216 I217 H221	A216-L219 WeakPolarHBondContact O-CB 3.33Å; A216-L219 PolarHBondContact O-N 3.28Å; I217-L219 PolarHBondContact O-N 2.93Å; I217-L219 VanDerWaalsContact O-N 3.1Å; L219-H221 PolarHBondContact O-N 3.05Å
220	L	96	Very high	96.8	Very high	39 Å²	39	79.7 Å²	79.7	20%	0.204	39%	0.39	C	S	.	.			trans	-65.3	125.3	171.8	-170.5	162.3	0	0	0	108.3	T79 A82 I217 Q218 E222	T79-L220 HydrophobicContact CG2-CD1 4.06Å; T79-L220 WeakPolarHBondContact OG1-CD1 3.15Å; T79-L220 WeakPolarHBondContact OG1-CG 3.36Å; A82-L220 HydrophobicContact CB-CB 4.06Å; I217-L220 HydrophobicContact CD1-CB 4.48Å; I217-L220 HydrophobicContact CD1-CD1 4.03Å; I217-L220 VanDerWaalsContact O-CB 3.27Å; I217-L220 WeakPolarHBondContact O-CB 3.29Å; I217-L220 PolarHBondContact O-N 2.71Å; I217-L220 VanDerWaalsContact O-N 3.07Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; L220-E222 HydrophobicContact CD2-CG 3.72Å
221	H	96.1	Very high	96.5	Very high	105 Å²	105	77 Å²	77	49%	0.486	38%	0.381	S	S	.	.			trans	-115.9	92.8	-176.3	-169.1	-52.4	0	0	0	109.8	T78 L219 E223 A224 D225	T78-H221 HydrophobicContact CG2-CB 4.18Å; T78-H221 PolarHBondContact OG1-N 3.46Å; T78-H221 PolarHBondContact OG1-O 3.49Å; L219-H221 PolarHBondContact O-N 3.05Å; H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 2.78Å; H221-A224 HydrophobicContact CB-CB 4.11Å; H221-A224 WeakPolarHBondContact ND1-CB 3.49Å; H221-A224 PolarHBondContact ND1-N 3.29Å; H221-A224 VanDerWaalsContact ND1-N 3.18Å; H221-A224 PolarHBondContact O-N 3.19Å; H221-D225 PolarHBondContact O-N 3.31Å; H221-D225 VanDerWaalsContact O-N 3.12Å
222	E	96.8	Very high	96.3	Very high	131 Å²	131	75.6 Å²	75.6	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-57.1	-43.4	-169.6	-56.7	86.5	167.2	0	0	111.9	L220 A224 D225 L226	L220-E222 HydrophobicContact CD2-CG 3.72Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 3.33Å; E222-D225 PolarHBondContact O-N 3.01Å; E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 3.39Å
223	E	96.7	Very high	96.1	Very high	117 Å²	117	78.7 Å²	78.7	55%	0.547	39%	0.385	S	S	.	.	H	α-helix	trans	-66.2	-34	-178	-171.1	61.6	-153.7	0	0	112.6	H221 I227	H221-E223 VanDerWaalsContact C-N 3.3Å; H221-E223 PolarHBondContact O-N 2.78Å; E223-I227 HydrophobicContact CG-CD1 4.41Å; E223-I227 WeakPolarHBondContact O-CD1 3.15Å; E223-I227 VanDerWaalsContact O-CG1 3.23Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.4Å
224	A	95.6	Very high	95.8	Very high	32 Å²	32	83.6 Å²	83.6	26%	0.264	41%	0.41	S	S	.	.	H	α-helix	trans	-71.8	-44.8	178.9	0	0	0	0	0	110	H221 E222 L226 I227 E228	H221-A224 HydrophobicContact CB-CB 4.11Å; H221-A224 WeakPolarHBondContact ND1-CB 3.49Å; H221-A224 PolarHBondContact ND1-N 3.29Å; H221-A224 VanDerWaalsContact ND1-N 3.18Å; H221-A224 PolarHBondContact O-N 3.19Å; E222-A224 VanDerWaalsContact C-N 3.32Å; E222-A224 PolarHBondContact O-N 3.33Å; A224-L226 VanDerWaalsContact C-N 3.34Å; A224-L226 PolarHBondContact O-N 3.1Å; A224-I227 PolarHBondContact O-N 3.2Å; A224-E228 PolarHBondContact O-N 3.07Å
225	D	96.7	Very high	95.4	Very high	5 Å²	5	84.4 Å²	84.4	3%	0.027	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-39.7	175.4	-75.3	-1.7	0	0	0	111.4	N76 R77 T78 T79 H221 E222 I227 E228 F229	N76-D225 HydrophobicContact CB-CB 3.8Å; N76-D225 WeakPolarHBondContact CB-OD2 3.39Å; N76-D225 PolarHBondContact OD1-O 3.37Å; R77-D225 PolarHBondContact N-OD1 2.9Å; T78-D225 WeakPolarHBondContact CB-OD1 3.39Å; T78-D225 PolarHBondContact N-OD1 3.39Å; T78-D225 PolarHBondContact OG1-OD1 3.16Å; T78-D225 PolarHBondContact OG1-OD2 3.3Å; T79-D225 VanDerWaalsContact CB-OD2 3.29Å; T79-D225 WeakPolarHBondContact CB-OD2 3.41Å; T79-D225 PolarHBondContact N-OD2 2.96Å; T79-D225 PolarHBondContact OG1-OD2 3.41Å; H221-D225 PolarHBondContact O-N 3.31Å; H221-D225 VanDerWaalsContact O-N 3.12Å; E222-D225 PolarHBondContact O-N 3.01Å; D225-I227 PolarHBondContact O-N 3.34Å; D225-E228 PolarHBondContact O-N 2.67Å; D225-F229 WeakPolarHBondContact O-CB 3.49Å; D225-F229 PolarHBondContact O-N 3.35Å
226	L	97	Very high	94.8	Very high	99 Å²	99	84.2 Å²	84.2	52%	0.518	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-37.8	174.7	-76.4	173.5	0	0	0	112.7	E222 A224 F229 R230	E222-L226 WeakPolarHBondContact O-CB 3.41Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.42Å; E222-L226 PolarHBondContact O-N 3.39Å; A224-L226 VanDerWaalsContact C-N 3.34Å; A224-L226 PolarHBondContact O-N 3.1Å; L226-F229 PolarHBondContact O-N 3.29Å; L226-R230 WeakPolarHBondContact O-CB 3.36Å; L226-R230 PolarHBondContact O-N 2.92Å
227	I	95.4	Very high	93.7	Very high	106 Å²	106	86.4 Å²	86.4	54%	0.544	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-44.8	173.8	-70.2	163.7	0	0	0	110.3	E223 A224 D225 R230 G231	E223-I227 HydrophobicContact CG-CD1 4.41Å; E223-I227 WeakPolarHBondContact O-CD1 3.15Å; E223-I227 VanDerWaalsContact O-CG1 3.23Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.4Å; A224-I227 PolarHBondContact O-N 3.2Å; D225-I227 PolarHBondContact O-N 3.34Å; I227-R230 PolarHBondContact O-N 3.01Å; I227-G231 PolarHBondContact O-N 3.04Å
228	E	93	Very high	92.1	Very high	64 Å²	64	87 Å²	87	30%	0.299	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-42	176.6	-69.5	-167.3	158.9	0	0	112	I75 R77 A224 D225 G231 T232	I75-E228 WeakPolarHBondContact O-CB 3.45Å; R77-E228 WeakPolarHBondContact CB-OE2 3.37Å; R77-E228 WeakPolarHBondContact CD-OE1 3.47Å; R77-E228 WeakPolarHBondContact CD-OE2 3.45Å; R77-E228 WeakPolarHBondContact CG-OE2 3.39Å; R77-E228 PolarHBondContact N-OE2 3.44Å; R77-E228 IonicContact NE-OE1 3.81Å; R77-E228 IonicContact NE-OE2 3.98Å; A224-E228 PolarHBondContact O-N 3.07Å; D225-E228 PolarHBondContact O-N 2.67Å; E228-G231 PolarHBondContact O-N 3.44Å; E228-T232 PolarHBondContact O-N 3.3Å; E228-T232 PolarHBondContact O-OG1 3.37Å
229	F	96.1	Very high	90.1	Very high	90 Å²	90	88.7 Å²	88.7	40%	0.395	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-48.8	173.8	177.8	-95.6	0	0	0	111.9	I75 D225 L226 G231 T232 L233	I75-F229 HydrophobicContact CD1-CD2 4.33Å; I75-F229 VanDerWaalsContact CG2-CA 3.45Å; I75-F229 HydrophobicContact CG2-CB 3.83Å; I75-F229 HydrophobicContact CG2-CD2 3.94Å; I75-F229 HydrophobicContact CG2-CG 4.37Å; D225-F229 WeakPolarHBondContact O-CB 3.49Å; D225-F229 PolarHBondContact O-N 3.35Å; L226-F229 PolarHBondContact O-N 3.29Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 2.99Å; F229-T232 CarbonylContact O-C 3.59Å; F229-T232 PolarHBondContact O-N 2.94Å; F229-T232 VanDerWaalsContact O-N 3.09Å; F229-L233 HydrophobicContact CE1-CD2 4.22Å; F229-L233 WeakPolarHBondContact O-CB 3.43Å; F229-L233 PolarHBondContact O-N 3.11Å
230	R	95.3	Very high	88.1	Confident	179 Å²	179	91.2 Å²	91.2	68%	0.675	48%	0.477	S	S	*	.	H	α-helix	trans	-59.5	-43.1	177.2	-174.7	179	-178.2	-179.8	1.3	111.5	L226 I227 T232 L233 L234	L226-R230 WeakPolarHBondContact O-CB 3.36Å; L226-R230 PolarHBondContact O-N 2.92Å; I227-R230 PolarHBondContact O-N 3.01Å; R230-T232 VanDerWaalsContact C-N 3.3Å; R230-T232 PolarHBondContact O-N 3.39Å; R230-L233 PolarHBondContact O-N 2.89Å; R230-L234 HydrophobicContact CG-CD1 4.32Å; R230-L234 WeakPolarHBondContact O-CG 3.24Å; R230-L234 PolarHBondContact O-N 3.48Å
231	G	93.6	Very high	85.8	Confident	22 Å²	22	95.2 Å²	95.2	23%	0.227	50%	0.502	C	S	.	.	H	α-helix	trans	-59.8	-41	175	0	0	0	0	0	112.3	I227 E228 F229 R235	I227-G231 PolarHBondContact O-N 3.04Å; E228-G231 PolarHBondContact O-N 3.44Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 2.99Å; G231-R235 WeakPolarHBondContact O-CG 3.36Å; G231-R235 PolarHBondContact O-N 2.87Å; G231-R235 PolarHBondContact O-NH1 3.3Å
232	T	93.1	Very high	83.5	Confident	37 Å²	37	96.7 Å²	96.7	23%	0.227	52%	0.519	C	S	.	.	H	α-helix	trans	-69.6	-43.8	177	-58.6	0	0	0	0	111.9	I75 E228 F229 R230 L234 R235 S236	I75-T232 HydrophobicContact CD1-CG2 4.3Å; I75-T232 HydrophobicContact CG1-CG2 4.38Å; E228-T232 PolarHBondContact O-N 3.3Å; E228-T232 PolarHBondContact O-OG1 3.37Å; F229-T232 CarbonylContact O-C 3.59Å; F229-T232 PolarHBondContact O-N 2.94Å; F229-T232 VanDerWaalsContact O-N 3.09Å; R230-T232 VanDerWaalsContact C-N 3.3Å; R230-T232 PolarHBondContact O-N 3.39Å; T232-L234 PolarHBondContact O-N 2.97Å; T232-R235 PolarHBondContact O-N 3.29Å; T232-R235 PolarHBondContact OG1-NH2 2.97Å; T232-S236 PolarHBondContact O-N 2.86Å; T232-S236 PolarHBondContact O-OG 2.84Å; T232-S236 VanDerWaalsContact O-OG 3.04Å
233	L	94	Very high	80.9	Confident	104 Å²	104	98.3 Å²	98.3	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-57.7	-45.9	176.9	-176.5	65.9	0	0	0	112.1	F229 R230 S236 G237	F229-L233 HydrophobicContact CE1-CD2 4.22Å; F229-L233 WeakPolarHBondContact O-CB 3.43Å; F229-L233 PolarHBondContact O-N 3.11Å; R230-L233 PolarHBondContact O-N 2.89Å; L233-S236 PolarHBondContact O-N 3.34Å; L233-G237 PolarHBondContact O-N 2.75Å
234	L	93	Very high	77.9	Confident	111 Å²	111	99.6 Å²	99.6	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-64.6	-40.3	177.9	-70	173.2	0	0	0	112.3	R230 T232 G237 S238	R230-L234 HydrophobicContact CG-CD1 4.32Å; R230-L234 WeakPolarHBondContact O-CG 3.24Å; R230-L234 PolarHBondContact O-N 3.48Å; T232-L234 PolarHBondContact O-N 2.97Å; L234-G237 PolarHBondContact O-N 2.65Å; L234-S238 PolarHBondContact O-N 2.9Å; L234-S238 PolarHBondContact O-OG 3.31Å
235	R	89.9	Confident	75.5	Confident	157 Å²	157	104.8 Å²	104.8	59%	0.592	57%	0.57	S	S	*	*	H	α-helix	trans	-65.5	-39.1	175.2	-73.6	-173.3	-61.6	-95.3	1	112	G231 T232 G237 S238	G231-R235 WeakPolarHBondContact O-CG 3.36Å; G231-R235 PolarHBondContact O-N 2.87Å; G231-R235 PolarHBondContact O-NH1 3.3Å; T232-R235 PolarHBondContact O-N 3.29Å; T232-R235 PolarHBondContact OG1-NH2 2.97Å; R235-G237 VanDerWaalsContact C-N 3.28Å; R235-G237 PolarHBondContact O-N 3.4Å; R235-S238 PolarHBondContact O-N 2.95Å; R235-S238 VanDerWaalsContact O-N 3.14Å
236	S	86.8	Confident	72.8	Confident	84 Å²	84	111.3 Å²	111.3	59%	0.587	61%	0.605	S	S	*	*	H	α-helix	trans	-62.2	-33	178.7	-64.1	0	0	0	0	113.1	T232 L233	T232-S236 PolarHBondContact O-N 2.86Å; T232-S236 PolarHBondContact O-OG 2.84Å; T232-S236 VanDerWaalsContact O-OG 3.04Å; L233-S236 PolarHBondContact O-N 3.34Å
237	G	73.4	Confident	70.2	Confident	51 Å²	51	113.5 Å²	113.5	53%	0.526	62%	0.617	S	S	.	*	H	α-helix	trans	-79.4	-16.5	175.9	0	0	0	0	0	115	L233 L234 R235 N239	L233-G237 PolarHBondContact O-N 2.75Å; L234-G237 PolarHBondContact O-N 2.65Å; R235-G237 VanDerWaalsContact C-N 3.28Å; R235-G237 PolarHBondContact O-N 3.4Å; G237-N239 PolarHBondContact O-N 3.48Å
238	S	64.5	Low	67.7	Low	73 Å²	73	115.3 Å²	115.3	51%	0.51	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-76.3	-7.2	-171.2	-61.8	0	0	0	0	114.3	L234 R235 L240	L234-S238 PolarHBondContact O-N 2.9Å; L234-S238 PolarHBondContact O-OG 3.31Å; R235-S238 PolarHBondContact O-N 2.95Å; R235-S238 VanDerWaalsContact O-N 3.14Å; S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 3.42Å
239	N	55.1	Low	65.3	Low	153 Å²	153	120 Å²	120	82%	0.818	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-82.9	6.3	177.1	-70.6	-22.4	0	0	0	114.3	G237	G237-N239 PolarHBondContact O-N 3.48Å
240	L	53	Low	62.6	Low	157 Å²	157	121.4 Å²	121.4	82%	0.822	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-113.6	2.5	-173.5	-149.6	66.1	0	0	0	116.5	S238	S238-L240 VanDerWaalsContact C-N 3.28Å; S238-L240 PolarHBondContact O-N 3.42Å
241	T	46.7	Very low	60.2	Low	122 Å²	122	120.4 Å²	120.4	75%	0.748	68%	0.679	S	S	*	*			trans	-142.3	14.9	-173.8	54.3	0	0	0	0	118.6	L243	T241-L243 VanDerWaalsContact C-N 3.29Å; T241-L243 PolarHBondContact O-N 2.89Å; T241-L243 VanDerWaalsContact O-N 3.11Å
242	V	46.8	Very low	57.7	Low	137 Å²	137	124.9 Å²	124.9	83%	0.83	71%	0.707	S	S	*	*			trans	-90.4	65	173.6	-166.5	0	0	0	0	111.3
243	L	42.2	Very low	55.3	Low	165 Å²	165	132.2 Å²	132.2	86%	0.864	74%	0.738	S	S	*	*	S	Bend	trans	-136	117.6	155.1	-75.4	176.9	0	0	0	108.8	T241	T241-L243 VanDerWaalsContact C-N 3.29Å; T241-L243 PolarHBondContact O-N 2.89Å; T241-L243 VanDerWaalsContact O-N 3.11Å
244	N	35.6	Very low	52.8	Low	143 Å²	143	136.4 Å²	136.4	77%	0.765	76%	0.755	S	S	*	*			trans	85	83.6	154.1	-155.3	27	0	0	0	117.9
245	T	45.1	Very low	50.2	Low	142 Å²	142	135.9 Å²	135.9	87%	0.871	76%	0.761	S	S	*	*			trans	-150.1	97.2	136.3	40	0	0	0	0	110.4	N247	T245-N247 PolarHBondContact O-N 3.39Å
246	N	38.7	Very low	47.9	Very low	141 Å²	141	136.2 Å²	136.2	75%	0.754	77%	0.773	S	S	*	*			trans	-61.7	121.9	153.6	-75.1	-32.8	0	0	0	107.9
247	N	43.4	Very low	45.5	Very low	145 Å²	145	138.1 Å²	138.1	78%	0.775	78%	0.781	S	S	*	*			trans	166.6	109.4	132.3	-83	-18.3	0	0	0	111.8	T245	T245-N247 PolarHBondContact O-N 3.39Å
248	N	41.8	Very low	44.2	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	80%	0.797	S	S	*	*			trans	33.6	109.8	135	-64.1	-13.6	0	0	0	119.2
249	L	43.5	Very low	43	Very low	162 Å²	162	143.5 Å²	143.5	85%	0.848	81%	0.808	S	S	*	*				-167.2	133.7	117.7	-128.1	71.4	0	0	0	111.4
250	P	39	Very low	42.2	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	81%	0.809	S	S	*	*			trans	-96.7	138.4	175.5	35.3	-27.2	0	0	0	110.8
251	I	44.8	Very low	41.8	Very low	159 Å²	159	145.2 Å²	145.2	82%	0.815	81%	0.812	S	S	*	*			trans	-146.1	106.5	160.2	-112	158.1	0	0	0	111.6
252	S	40.7	Very low	41.8	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	81%	0.812	S	S	*	*			trans	45.1	114.3	140.1	-56.9	0	0	0	0	122.1
253	Q	43.3	Very low	41.7	Very low	190 Å²	190	143.7 Å²	143.7	89%	0.888	81%	0.812	S	S	*	*			trans	-49.2	138.4	155.8	-60.5	170.7	3.1	0	0	113
254	Q	41.3	Very low	42.1	Very low	193 Å²	193	141.3 Å²	141.3	90%	0.902	81%	0.807	S	S	*	*			trans	-136.7	113.3	140.9	-71.3	-168.4	9	0	0	108.8
255	S	37.5	Very low	42.5	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	81%	0.808	S	S	*	*			trans	-85.1	129.8	171.1	179.3	0	0	0	0	108.7
256	L	42.7	Very low	42.3	Very low	164 Å²	164	142.8 Å²	142.8	86%	0.859	81%	0.805	S	S	*	*			trans	-128.3	107.5	158.1	-79.3	171.2	0	0	0	108.1
257	T	35.8	Very low	42.9	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	81%	0.806	S	S	*	*			trans	-71.5	124.6	167.5	52.2	0	0	0	0	109.3
258	I	46.6	Very low	43.2	Very low	165 Å²	165	139.7 Å²	139.7	85%	0.846	80%	0.803	S	S	*	*			trans	-122.8	107.9	156.6	-62.8	179.4	0	0	0	105.5
259	G	38.3	Very low	43.8	Very low	72 Å²	72	139 Å²	139	74%	0.742	81%	0.806	S	S	*	*			trans	-77.7	142.2	169.2	0	0	0	0	0	109.6
260	D	39.1	Very low	44.2	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	81%	0.805	S	S	*	*			trans	-144.5	128.7	148.2	-151.1	-1.1	0	0	0	109.8
261	Q	45.4	Very low	44.4	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	81%	0.807	S	S	*	*			trans	-101.7	118	-179.5	-74.1	-176.9	50.1	0	0	108
262	S	45.2	Very low	44.5	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	81%	0.807	S	S	*	*			trans	-159.1	110.3	158.2	51.2	0	0	0	0	110.7
263	S	45.9	Very low	44.7	Very low	120 Å²	120	142.7 Å²	142.7	84%	0.839	81%	0.808	S	S	*	*			trans	-65.6	156.3	161.8	-52.5	0	0	0	0	110.3
264	P	49.5	Very low	44.5	Very low	115 Å²	115	141.2 Å²	141.2	75%	0.747	81%	0.806	S	S	*	*				-150.4	145	109.5	32.6	-13.1	0	0	0	116.8
265	M	45.3	Very low	44.8	Very low	161 Å²	161	140.8 Å²	140.8	79%	0.793	80%	0.804	S	S	*	*				50.3	103.5	129	-55.2	-95.4	75.1	0	0	120.6
266	I	40.8	Very low	45.2	Very low	155 Å²	155	145.7 Å²	145.7	80%	0.795	81%	0.807	S	S	*	*			trans	-1.9	127.9	136.2	-61.6	164.8	0	0	0	116.9
267	S	50.6	Low	45.1	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	80%	0.803	S	S	*	*			trans	-141.4	143.2	150.5	-68.7	0	0	0	0	109.2
268	P	50.8	Low	45.4	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83	157.7	-163	34.6	-34.5	0	0	0	112.5
269	P	53.4	Low	45.2	Very low	130 Å²	130	148.8 Å²	148.8	84%	0.844	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.8	176.8	30.6	-32	0	0	0	110.7
270	V	52.2	Low	45.1	Very low	135 Å²	135	151.3 Å²	151.3	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.6	169.1	174.3	0	0	0	0	108.5	I272	V270-I272 PolarHBondContact O-N 2.7Å; V270-I272 VanDerWaalsContact O-N 3.16Å
271	S	43.8	Very low	45.3	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	80%	0.797	S	S	*	*			trans	-57.2	112.8	171	-92.4	0	0	0	0	111.1	R273	S271-R273 PolarHBondContact O-N 3.43Å
272	I	47.3	Very low	45	Very low	159 Å²	159	145 Å²	145	82%	0.815	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.5	124.3	159.6	-63.5	173.2	0	0	0	106.9	V270	V270-I272 PolarHBondContact O-N 2.7Å; V270-I272 VanDerWaalsContact O-N 3.16Å
273	R	43.1	Very low	44.8	Very low	222 Å²	222	145 Å²	145	84%	0.838	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-93.1	122.6	179.7	-159.9	175.7	-167.5	175.2	-0.3	107.3	S271 H275	S271-R273 PolarHBondContact O-N 3.43Å; R273-H275 PolarHBondContact O-N 3.44Å
274	D	40.4	Very low	44.7	Very low	158 Å²	158	145 Å²	145	85%	0.845	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-50.7	123.2	-175.8	-68.2	-57.1	0	0	0	113.2
275	H	47.2	Very low	44.2	Very low	184 Å²	184	147.6 Å²	147.6	85%	0.852	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.1	124.1	165.2	-76.5	-88.4	0	0	0	109.8	R273 S277	R273-H275 PolarHBondContact O-N 3.44Å; H275-S277 PolarHBondContact O-N 3.37Å
276	R	44.9	Very low	44	Very low	204 Å²	204	145.6 Å²	145.6	77%	0.77	79%	0.792	S	S	*	*			trans	-38.6	106.2	174	-149.9	173.9	-166.9	-167.5	1.1	112.7	Y278	R276-Y278 HydrophobicContact CG-CD2 4.45Å; R276-Y278 HydrophobicContact CG-CE2 4.44Å; R276-Y278 PolarHBondContact O-N 2.83Å
277	S	40.6	Very low	43.9	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	79%	0.792	S	S	*	*			trans	-70.4	105.9	166.8	-177.3	0	0	0	0	109.7	H275	H275-S277 PolarHBondContact O-N 3.37Å
278	Y	42.9	Very low	43.7	Very low	197 Å²	197	147.2 Å²	147.2	77%	0.773	80%	0.799	S	S	*	*			trans	-85	114.7	162.4	-101.7	-93.9	0	0	0	108.6	R276	R276-Y278 HydrophobicContact CG-CD2 4.45Å; R276-Y278 HydrophobicContact CG-CE2 4.44Å; R276-Y278 PolarHBondContact O-N 2.83Å
279	R	41.5	Very low	43.2	Very low	208 Å²	208	149.5 Å²	149.5	79%	0.785	81%	0.805	S	S	*	*			trans	-119.2	122.4	172	-159.4	-177.2	-164.2	-130.4	5.5	107
280	P	37	Very low	42.6	Very low	125 Å²	125	147.9 Å²	147.9	81%	0.812	80%	0.797	S	S	*	*			trans	-82.7	132.8	170.1	29.2	-23.3	0	0	0	108.5
281	S	42.6	Very low	42.4	Very low	98 Å²	98	149.7 Å²	149.7	69%	0.685	80%	0.798	S	S	*	*			trans	-128.7	108.3	169.7	-70.6	0	0	0	0	108.5
282	S	39.5	Very low	42.2	Very low	115 Å²	115	153.4 Å²	153.4	80%	0.804	80%	0.8	S	S	*	*			trans	-77.7	132.6	163.2	48.1	0	0	0	0	109.2
283	S	41.2	Very low	41.9	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	80%	0.803	S	S	*	*			trans	165.7	107.2	132.3	52.1	0	0	0	0	111.7
284	V	44.5	Very low	41.6	Very low	121 Å²	121	145.6 Å²	145.6	73%	0.733	80%	0.799	S	S	*	*			trans	41.6	128.3	135.2	-92.6	0	0	0	0	123.1
285	H	39.2	Very low	41.6	Very low	170 Å²	170	144.3 Å²	144.3	79%	0.787	80%	0.802	S	S	*	*			trans	72.8	110.4	142	-63.3	-48.1	0	0	0	119.7
286	S	40.5	Very low	41.1	Very low	119 Å²	119	147.2 Å²	147.2	83%	0.832	81%	0.805	S	S	*	*				176.1	139.2	93.8	-71.6	0	0	0	0	112.4
287	S	37.8	Very low	40.8	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	81%	0.808	S	S	*	*			trans	-42.6	149.5	173.2	-58.2	0	0	0	0	115.5
288	M	47.3	Very low	40.7	Very low	185 Å²	185	142.7 Å²	142.7	91%	0.911	80%	0.804	S	S	*	*				-174.3	136.8	109.6	-94.1	-178.7	87.2	0	0	111.9
289	N	39.8	Very low	40.4	Very low	159 Å²	159	141 Å²	141	85%	0.85	81%	0.807	S	S	*	*			trans	-61.1	153.4	177.5	-66.1	-43.2	0	0	0	112.9
290	S	42	Very low	40.2	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	81%	0.808	S	S	*	*				142.8	131.7	109	-162.3	0	0	0	0	114.3
291	M	47.7	Very low	40.2	Very low	174 Å²	174	137 Å²	137	86%	0.857	81%	0.809	S	S	*	*			trans	83.4	98.1	145	-78.4	166.4	166.4	0	0	121.4
292	K	38.6	Very low	40.1	Very low	196 Å²	196	140.9 Å²	140.9	85%	0.852	82%	0.821	S	S	*	*				-6.9	129.5	126.4	-81.3	171.6	170.3	173.5	0	114.8
293	T	42.4	Very low	40	Very low	144 Å²	144	138.5 Å²	138.5	88%	0.883	82%	0.815	S	S	*	*				-171.8	142.1	114.1	40.7	0	0	0	0	109.8
294	G	35.1	Very low	39.9	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	82%	0.822	S	S	*	*			trans	-80	152.2	176.4	0	0	0	0	0	112.3
295	S	40.6	Very low	39.8	Very low	130 Å²	130	146.5 Å²	146.5	91%	0.909	83%	0.827	S	S	*	*			trans	-156	133.6	150.4	-92.8	0	0	0	0	111
296	R	38.2	Very low	40.1	Very low	245 Å²	245	148.9 Å²	148.9	93%	0.925	84%	0.835	S	S	*	*			trans	-77.9	138.1	172.9	-72.1	167	142.9	164.1	-6.9	109.5
297	C	37.3	Very low	40.4	Very low	122 Å²	122	152.8 Å²	152.8	82%	0.824	84%	0.838	S	S	*	*			trans	-159.6	103.5	148.8	-94.7	0	0	0	0	106.5
298	S	38.7	Very low	40.8	Very low	98 Å²	98	155.6 Å²	155.6	69%	0.685	84%	0.835	S	S	*	*				61.6	103.3	94.5	63.8	0	0	0	0	115.9
299	L	37.8	Very low	40.8	Very low	161 Å²	161	153.7 Å²	153.7	84%	0.843	83%	0.829	S	S	*	*			trans	44.1	109.1	131.8	-62.8	166.7	0	0	0	118.4
300	T	35.5	Very low	41.4	Very low	130 Å²	130	154.6 Å²	154.6	80%	0.798	83%	0.828	S	S	*	*				158	123.8	104.4	44.9	0	0	0	0	110.2
301	S	38	Very low	41.8	Very low	121 Å²	121	157.8 Å²	157.8	85%	0.846	83%	0.832	S	S	*	*			trans	-176.9	120.7	130.5	46.4	0	0	0	0	109.4
302	L	40.5	Very low	42	Very low	178 Å²	178	154.7 Å²	154.7	93%	0.932	82%	0.819	S	S	*	*			trans	-64.2	150.6	174.4	-71.6	84.2	0	0	0	110.8
303	G	36.7	Very low	42.7	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	81%	0.808	S	S	*	*			trans	146.2	124.5	139	0	0	0	0	0	115.6
304	R	39.9	Very low	43.2	Very low	239 Å²	239	146.9 Å²	146.9	90%	0.902	79%	0.787	S	S	*	*			trans	85.8	95.7	163	-53.5	173.7	-172.3	170.2	3	115.3
305	N	42	Very low	44.2	Very low	158 Å²	158	149.8 Å²	149.8	85%	0.845	78%	0.781	S	S	*	*				-179.5	85.8	125.5	-86.3	-31.2	0	0	0	109.9
306	K	45	Very low	45.1	Very low	219 Å²	219	147.3 Å²	147.3	95%	0.952	76%	0.76	S	S	*	*			trans	-118.1	21.3	177.5	-119.2	-177.3	-177	-178.9	0	113.7
307	K	48	Very low	46.2	Very low	202 Å²	202	142.2 Å²	142.2	88%	0.878	75%	0.747	S	S	*	*	S	Bend	trans	-127.6	7.1	-176.4	-97.1	-174.2	175.7	-177.3	0	117
308	K	46.3	Very low	47.5	Very low	173 Å²	173	142.3 Å²	142.3	75%	0.752	74%	0.735	S	S	*	*	S	Bend	trans	-107.8	-7.3	179	-84.7	-175.8	173.5	-179.4	0	116.3
309	N	47	Very low	48.8	Very low	144 Å²	144	144.6 Å²	144.6	77%	0.77	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-1.5	-177	-105.9	-23	0	0	0	115.9
310	Q	52.1	Low	50.2	Low	178 Å²	178	142.9 Å²	142.9	83%	0.832	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-17.3	174.5	-103.2	174.8	16.2	0	0	114
311	Q	51.4	Low	52	Low	162 Å²	162	142.9 Å²	142.9	76%	0.757	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-23.6	-179	-152.2	163.3	25.6	0	0	112.9
312	L	51.7	Low	53.8	Low	110 Å²	110	141.5 Å²	141.5	58%	0.576	70%	0.697	S	S	*	*	H	α-helix	trans	-78.3	-19.7	175.7	-86.9	132.4	0	0	0	113.7	T316	L312-T316 PolarHBondContact O-OG1 3.24Å; L312-T316 VanDerWaalsContact O-OG1 3.05Å
313	Q	52.6	Low	55.5	Low	133 Å²	133	143.1 Å²	143.1	62%	0.621	69%	0.69	S	S	*	*	H	α-helix	trans	-82.3	-21.5	178.7	-153.7	163.3	32	0	0	112.9
314	G	53.4	Low	57.6	Low	43 Å²	43	145 Å²	145	44%	0.443	68%	0.684	S	S	.	*	H	α-helix	trans	-76	-35.9	173.7	0	0	0	0	0	113.5	T316 Q317 Q318	G314-T316 VanDerWaalsContact C-N 3.34Å; G314-T316 PolarHBondContact O-N 3.04Å; G314-Q317 PolarHBondContact O-N 2.79Å; G314-Q318 PolarHBondContact O-N 3.21Å
315	Q	55.8	Low	59.5	Low	133 Å²	133	136.8 Å²	136.8	62%	0.621	66%	0.663	S	S	*	*	H	α-helix	trans	-70.1	-29.1	179.5	-77.2	-177.4	-11.9	0	0	113.1	Q319	Q315-Q319 PolarHBondContact O-N 3.18Å
316	T	58.7	Low	61.2	Low	79 Å²	79	136.4 Å²	136.4	49%	0.485	65%	0.651	S	S	.	*	H	α-helix	trans	-73.9	-29.5	177.8	-25.2	0	0	0	0	112.8	L312 G314 Q320	L312-T316 PolarHBondContact O-OG1 3.24Å; L312-T316 VanDerWaalsContact O-OG1 3.05Å; G314-T316 VanDerWaalsContact C-N 3.34Å; G314-T316 PolarHBondContact O-N 3.04Å; T316-Q320 PolarHBondContact O-N 3.38Å
317	Q	60.9	Low	62.8	Low	137 Å²	137	129 Å²	129	64%	0.64	63%	0.627	S	S	*	*	H	α-helix	trans	-77.2	-36.3	176.9	-69.6	-175.4	30.7	0	0	112.1	G314 Q320 H321	G314-Q317 PolarHBondContact O-N 2.79Å; Q317-Q320 PolarHBondContact O-N 3.04Å; Q317-H321 PolarHBondContact O-N 3.21Å; Q317-H321 VanDerWaalsContact O-N 3.09Å
318	Q	64.9	Low	64.4	Low	125 Å²	125	125.9 Å²	125.9	58%	0.584	62%	0.616	S	S	*	*	H	α-helix	trans	-62.8	-44.7	176.4	-157.5	79.5	38	0	0	111.5	G314 Q320 H321 D322	G314-Q318 PolarHBondContact O-N 3.21Å; Q318-Q320 VanDerWaalsContact C-N 3.31Å; Q318-Q320 PolarHBondContact O-N 2.68Å; Q318-H321 PolarHBondContact O-N 2.84Å; Q318-H321 VanDerWaalsContact O-N 3.15Å; Q318-D322 PolarHBondContact O-N 3.49Å
319	Q	65.8	Low	66	Low	145 Å²	145	123.2 Å²	123.2	68%	0.678	61%	0.606	S	S	*	*	H	α-helix	trans	-63.8	-32	177.1	-86.6	-177.8	13.6	0	0	113.8	Q315 R323	Q315-Q319 PolarHBondContact O-N 3.18Å; Q319-R323 PolarHBondContact O-N 3.05Å; Q319-R323 VanDerWaalsContact O-N 3.17Å
320	Q	67.9	Low	67.4	Low	126 Å²	126	119.9 Å²	119.9	59%	0.589	59%	0.588	S	S	*	*	H	α-helix	trans	-70.8	-39.3	174.2	-74.7	-176	11	0	0	111.6	T316 Q317 Q318 R323 L324	T316-Q320 PolarHBondContact O-N 3.38Å; Q317-Q320 PolarHBondContact O-N 3.04Å; Q318-Q320 VanDerWaalsContact C-N 3.31Å; Q318-Q320 PolarHBondContact O-N 2.68Å; Q320-R323 PolarHBondContact O-N 3.05Å; Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.24Å
321	H	73.5	Confident	68.6	Low	129 Å²	129	116 Å²	116	60%	0.597	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-40.1	177.4	-156.4	-81.7	0	0	0	111.7	Q317 Q318 R323 L324 S325	Q317-H321 PolarHBondContact O-N 3.21Å; Q317-H321 VanDerWaalsContact O-N 3.09Å; Q318-H321 PolarHBondContact O-N 2.84Å; Q318-H321 VanDerWaalsContact O-N 3.15Å; H321-R323 PolarHBondContact O-N 3.37Å; H321-L324 PolarHBondContact O-N 3.12Å; H321-S325 WeakPolarHBondContact O-CB 3.44Å; H321-S325 PolarHBondContact O-N 3.34Å
322	D	75.4	Confident	69.9	Low	92 Å²	92	114.2 Å²	114.2	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-37.4	176.6	-64.8	-22.7	0	0	0	111.8	Q318 S325 Y326	Q318-D322 PolarHBondContact O-N 3.49Å; D322-S325 PolarHBondContact O-N 3.45Å; D322-Y326 WeakPolarHBondContact O-CB 3.23Å; D322-Y326 PolarHBondContact O-N 3.49Å
323	R	77.1	Confident	71	Confident	212 Å²	212	114.6 Å²	114.6	80%	0.8	56%	0.56	S	S	*	*	H	α-helix	trans	-64.7	-41	173.9	-111.2	-171.1	-174.7	-116.6	1.2	113	Q319 Q320 H321 S327	Q319-R323 PolarHBondContact O-N 3.05Å; Q319-R323 VanDerWaalsContact O-N 3.17Å; Q320-R323 PolarHBondContact O-N 3.05Å; H321-R323 PolarHBondContact O-N 3.37Å; R323-S327 PolarHBondContact O-N 3.42Å; R323-S327 VanDerWaalsContact O-N 3.11Å
324	L	79.4	Confident	72	Confident	106 Å²	106	115.5 Å²	115.5	56%	0.555	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-38.6	177.5	-76.8	160.8	0	0	0	111.3	Q320 H321 S327 Q328	Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.24Å; H321-L324 PolarHBondContact O-N 3.12Å; L324-S327 PolarHBondContact O-N 3.48Å; L324-S327 PolarHBondContact O-OG 3.35Å; L324-Q328 PolarHBondContact O-N 2.59Å
325	S	80.7	Confident	72.9	Confident	66 Å²	66	119.7 Å²	119.7	46%	0.462	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-43.3	175.6	-167.7	0	0	0	0	111.8	H321 D322 Q328 Q329	H321-S325 WeakPolarHBondContact O-CB 3.44Å; H321-S325 PolarHBondContact O-N 3.34Å; D322-S325 PolarHBondContact O-N 3.45Å; S325-Q328 PolarHBondContact O-N 3.05Å; S325-Q329 WeakPolarHBondContact O-CB 3.4Å; S325-Q329 PolarHBondContact O-N 3.15Å
326	Y	77.2	Confident	73.6	Confident	150 Å²	150	120 Å²	120	59%	0.588	57%	0.571	S	S	*	*	H	α-helix	trans	-67.3	-38.5	178.3	-170.2	-105	0	0	0	112.5	D322 Q329 L330	D322-Y326 WeakPolarHBondContact O-CB 3.23Å; D322-Y326 PolarHBondContact O-N 3.49Å; Y326-Q329 PolarHBondContact O-N 3.07Å; Y326-L330 HydrophobicContact CD1-CD1 3.97Å; Y326-L330 HydrophobicContact CE1-CD1 3.57Å; Y326-L330 HydrophobicContact CE1-CG 4.2Å; Y326-L330 PolarHBondContact O-N 3.22Å
327	S	79.5	Confident	73.4	Confident	64 Å²	64	120 Å²	120	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-68.4	-37.1	176.8	87.5	0	0	0	0	112.3	R323 L324 L330 H331	R323-S327 PolarHBondContact O-N 3.42Å; R323-S327 VanDerWaalsContact O-N 3.11Å; L324-S327 PolarHBondContact O-N 3.48Å; L324-S327 PolarHBondContact O-OG 3.35Å; S327-L330 PolarHBondContact O-N 2.96Å; S327-H331 WeakPolarHBondContact O-CB 3.38Å; S327-H331 PolarHBondContact O-N 3.36Å
328	Q	81.7	Confident	72.5	Confident	137 Å²	137	117 Å²	117	64%	0.64	58%	0.58	S	S	*	*	H	α-helix	trans	-64.4	-40.6	171.5	-82.9	-176.3	13.6	0	0	111.6	L324 S325 L330 H331 Q332	L324-Q328 PolarHBondContact O-N 2.59Å; S325-Q328 PolarHBondContact O-N 3.05Å; Q328-L330 PolarHBondContact O-N 2.91Å; Q328-H331 PolarHBondContact O-N 2.98Å; Q328-H331 VanDerWaalsContact O-N 3.14Å; Q328-Q332 WeakPolarHBondContact O-CB 3.39Å; Q328-Q332 PolarHBondContact O-N 3.47Å
329	Q	80.4	Confident	71.5	Confident	116 Å²	116	117.9 Å²	117.9	54%	0.542	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-39.3	178.4	-163.8	166.5	25.3	0	0	112.2	S325 Y326 Q332 Q333	S325-Q329 WeakPolarHBondContact O-CB 3.4Å; S325-Q329 PolarHBondContact O-N 3.15Å; Y326-Q329 PolarHBondContact O-N 3.07Å; Q329-Q332 PolarHBondContact O-N 2.82Å; Q329-Q333 PolarHBondContact O-N 3.45Å
330	L	74.9	Confident	70.1	Confident	75 Å²	75	115.8 Å²	115.8	39%	0.393	59%	0.589	S	S	.	*	H	α-helix	trans	-66	-37.2	171.4	-77.6	172.1	0	0	0	112.6	Y326 S327 Q328 Q332 R334	Y326-L330 HydrophobicContact CD1-CD1 3.97Å; Y326-L330 HydrophobicContact CE1-CD1 3.57Å; Y326-L330 HydrophobicContact CE1-CG 4.2Å; Y326-L330 PolarHBondContact O-N 3.22Å; S327-L330 PolarHBondContact O-N 2.96Å; Q328-L330 PolarHBondContact O-N 2.91Å; L330-Q332 VanDerWaalsContact C-N 3.35Å; L330-R334 PolarHBondContact O-N 3.37Å; L330-R334 VanDerWaalsContact O-N 3.1Å
331	H	77.6	Confident	69.3	Low	97 Å²	97	117.8 Å²	117.8	45%	0.449	60%	0.598	S	S	.	*	H	α-helix	trans	-67.1	-37.8	176	-151.7	109.5	0	0	0	111.5	S327 Q328 R334 Q335	S327-H331 WeakPolarHBondContact O-CB 3.38Å; S327-H331 PolarHBondContact O-N 3.36Å; Q328-H331 PolarHBondContact O-N 2.98Å; Q328-H331 VanDerWaalsContact O-N 3.14Å; H331-R334 PolarHBondContact CE1-NH2 2.86Å; H331-R334 PolarHBondContact ND1-NH2 2.98Å; H331-R334 PolarHBondContact O-N 3.44Å; H331-Q335 PolarHBondContact CD2-NE2 3.42Å; H331-Q335 WeakPolarHBondContact O-CG 3.33Å; H331-Q335 PolarHBondContact O-N 3.01Å
332	Q	78.6	Confident	67.7	Low	124 Å²	124	120 Å²	120	58%	0.579	61%	0.609	S	S	*	*	H	α-helix	trans	-75.3	-33.7	178.5	-155.9	151.6	53.8	0	0	112.3	Q328 Q329 L330 Q335 N336	Q328-Q332 WeakPolarHBondContact O-CB 3.39Å; Q328-Q332 PolarHBondContact O-N 3.47Å; Q329-Q332 PolarHBondContact O-N 2.82Å; L330-Q332 VanDerWaalsContact C-N 3.35Å; Q332-Q335 PolarHBondContact O-N 2.95Å; Q332-N336 PolarHBondContact O-N 3.39Å
333	Q	75.8	Confident	66.3	Low	118 Å²	118	122.6 Å²	122.6	55%	0.551	62%	0.623	S	S	*	*	H	α-helix	trans	-64.6	-37.2	169	-93.2	-179.4	-0.5	0	0	112.6	Q329 Q335 N336 S337	Q329-Q333 PolarHBondContact O-N 3.45Å; Q333-Q335 VanDerWaalsContact C-N 3.3Å; Q333-Q335 PolarHBondContact O-N 3.24Å; Q333-N336 PolarHBondContact O-N 3.03Å; Q333-S337 WeakPolarHBondContact O-CB 3.41Å; Q333-S337 PolarHBondContact O-N 3.42Å; Q333-S337 PolarHBondContact O-OG 3.09Å; Q333-S337 VanDerWaalsContact O-OG 3.11Å
334	R	73.8	Confident	64.7	Low	152 Å²	152	119.4 Å²	119.4	57%	0.574	62%	0.621	S	S	*	*	H	α-helix	trans	-67	-29.7	172.2	-79.6	-162.3	-38.7	-72.7	-11	113.3	L330 H331	L330-R334 PolarHBondContact O-N 3.37Å; L330-R334 VanDerWaalsContact O-N 3.1Å; H331-R334 PolarHBondContact CE1-NH2 2.86Å; H331-R334 PolarHBondContact ND1-NH2 2.98Å; H331-R334 PolarHBondContact O-N 3.44Å
335	Q	72	Confident	62.9	Low	131 Å²	131	121.9 Å²	121.9	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-78.7	-31	176.4	-70.7	-177.9	4.4	0	0	112.6	H331 Q332 Q333	H331-Q335 PolarHBondContact CD2-NE2 3.42Å; H331-Q335 WeakPolarHBondContact O-CG 3.33Å; H331-Q335 PolarHBondContact O-N 3.01Å; Q332-Q335 PolarHBondContact O-N 2.95Å; Q333-Q335 VanDerWaalsContact C-N 3.3Å; Q333-Q335 PolarHBondContact O-N 3.24Å
336	N	69.4	Low	61.5	Low	139 Å²	139	125.2 Å²	125.2	74%	0.743	65%	0.653	S	S	*	*	H	α-helix	trans	-83.1	-26.5	177	-77.5	0.9	0	0	0	113.4	Q332 Q333 G338	Q332-N336 PolarHBondContact O-N 3.39Å; Q333-N336 PolarHBondContact O-N 3.03Å; N336-G338 VanDerWaalsContact C-N 3.3Å; N336-G338 PolarHBondContact O-N 3.38Å; N336-G338 VanDerWaalsContact O-N 3.1Å
337	S	55.3	Low	59.8	Low	79 Å²	79	124.7 Å²	124.7	55%	0.552	66%	0.66	S	S	*	*	S	Bend	trans	-83.1	78	170.1	-61.4	0	0	0	0	109	Q333 I339	Q333-S337 WeakPolarHBondContact O-CB 3.41Å; Q333-S337 PolarHBondContact O-N 3.42Å; Q333-S337 PolarHBondContact O-OG 3.09Å; Q333-S337 VanDerWaalsContact O-OG 3.11Å; S337-I339 PolarHBondContact O-N 3.14Å
338	G	40.9	Very low	58.3	Low	73 Å²	73	128 Å²	128	75%	0.753	68%	0.677	S	S	*	*			trans	-65.6	62.9	-178.4	0	0	0	0	0	114.8	N336 S340	N336-G338 VanDerWaalsContact C-N 3.3Å; N336-G338 PolarHBondContact O-N 3.38Å; N336-G338 VanDerWaalsContact O-N 3.1Å; G338-S340 PolarHBondContact O-N 2.79Å
339	I	44.4	Very low	56.5	Low	144 Å²	144	125.9 Å²	125.9	74%	0.738	67%	0.674	S	S	*	*			trans	-94.8	93.1	167.7	-59.7	176.9	0	0	0	107.4	S337 H341	S337-I339 PolarHBondContact O-N 3.14Å; I339-H341 PolarHBondContact O-N 3.34Å
340	S	36.3	Very low	54.7	Low	102 Å²	102	129.5 Å²	129.5	71%	0.713	69%	0.691	S	S	*	*			trans	-68.5	111.3	164.7	59.3	0	0	0	0	109	G338	G338-S340 PolarHBondContact O-N 2.79Å
341	H	50.9	Low	53.1	Low	167 Å²	167	129.6 Å²	129.6	77%	0.773	71%	0.71	S	S	*	*			trans	-105.5	105.2	152.4	-96.7	-38.4	0	0	0	108.5	I339 N343	I339-H341 PolarHBondContact O-N 3.34Å; H341-N343 PolarHBondContact O-N 3.23Å
342	Q	41	Very low	51.6	Low	176 Å²	176	132.8 Å²	132.8	82%	0.822	73%	0.73	S	S	*	*			trans	-53.2	118.8	156.2	-69.4	165.8	-24.6	0	0	107.4
343	N	46.3	Very low	50.3	Low	147 Å²	147	135.2 Å²	135.2	79%	0.786	75%	0.747	S	S	*	*			trans	-132	123.1	152.8	-84.1	-36	0	0	0	106.7	H341	H341-N343 PolarHBondContact O-N 3.23Å
344	D	43.8	Very low	49	Very low	144 Å²	144	136.4 Å²	136.4	77%	0.77	76%	0.757	S	S	*	*			trans	-44.4	149.6	-172.2	-60.9	-54.8	0	0	0	116.5
345	D	41.2	Very low	47.7	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	77%	0.767	S	S	*	*			trans	-51.3	130.9	176.6	-58.2	-67.7	0	0	0	113.6
346	V	51.1	Low	46.2	Very low	137 Å²	137	132.8 Å²	132.8	83%	0.83	78%	0.776	S	S	*	*			trans	-135	105	150.3	-154.8	0	0	0	0	108.4
347	D	40.5	Very low	44.8	Very low	138 Å²	138	131 Å²	131	74%	0.738	78%	0.775	S	S	*	*			trans	-68.2	121	174.3	-173.7	19.5	0	0	0	110.1
348	V	47.5	Very low	44	Very low	134 Å²	134	133.7 Å²	133.7	81%	0.812	78%	0.783	S	S	*	*			trans	-135.1	105.7	160.3	-177.6	0	0	0	0	108.3
349	T	45.2	Very low	44.1	Very low	93 Å²	93	138.6 Å²	138.6	57%	0.571	79%	0.786	S	S	*	*			trans	-65.8	143.8	174.2	43.7	0	0	0	0	114.2
350	E	43.2	Very low	43.7	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	79%	0.793	S	S	*	*			trans	72.7	127.4	140.7	-69.1	178.2	-174.9	0	0	120.6
351	G	41.3	Very low	43.9	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	79%	0.794	S	S	*	*			trans	164.6	57.2	166.1	0	0	0	0	0	112.6
352	D	44.5	Very low	43.1	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	80%	0.801	S	S	*	*			trans	-64.4	128.6	163.1	-74.1	-43.6	0	0	0	109.1
353	D	52.3	Low	42.9	Very low	176 Å²	176	144 Å²	144	94%	0.941	80%	0.8	S	S	*	*			trans	-149.3	140.4	154.7	-98.1	-33.5	0	0	0	111.2
354	D	48.3	Very low	42.6	Very low	142 Å²	142	145.9 Å²	145.9	76%	0.759	80%	0.801	S	S	*	*			trans	-94	152.4	-149.1	-159.5	15	0	0	0	113.6
355	V	47.3	Very low	42.3	Very low	130 Å²	130	145.2 Å²	145.2	79%	0.788	80%	0.802	S	S	*	*			trans	32.1	129.2	148.5	170.7	0	0	0	0	121.3
356	G	38.7	Very low	42.1	Very low	77 Å²	77	144.4 Å²	144.4	79%	0.794	80%	0.798	S	S	*	*			trans	-178.3	92.9	157.7	0	0	0	0	0	115.3
357	S	41.3	Very low	41.2	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	79%	0.794	S	S	*	*			trans	-70.1	162.1	179.2	-167.1	0	0	0	0	114.6
358	N	37.9	Very low	41.1	Very low	134 Å²	134	148.8 Å²	148.8	72%	0.717	80%	0.8	S	S	*	*			trans	84.7	110.3	162.5	-59.5	-41.4	0	0	0	119
359	H	42.6	Very low	40.5	Very low	177 Å²	177	149 Å²	149	82%	0.819	80%	0.796	S	S	*	*				-171.2	122.1	100.6	-102.6	-42.1	0	0	0	113	V361	H359-V361 PolarHBondContact O-N 3.04Å
360	N	36.8	Very low	40.1	Very low	168 Å²	168	150 Å²	150	90%	0.898	81%	0.807	S	S	*	*			trans	-58.9	118.1	157.1	-98.3	-34.5	0	0	0	109.6
361	V	40.8	Very low	40.1	Very low	121 Å²	121	147.6 Å²	147.6	73%	0.733	81%	0.805	S	S	*	*			trans	-128.3	117.7	157.7	-178.9	0	0	0	0	109.2	H359	H359-V361 PolarHBondContact O-N 3.04Å
362	R	32.5	Very low	39.7	Very low	240 Å²	240	152 Å²	152	91%	0.906	81%	0.811	S	S	*	*			trans	-89.5	110.3	175.5	169.8	177.4	173.3	164.5	-2.3	107.7
363	E	37.8	Very low	39.2	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	80%	0.801	S	S	*	*			trans	-122.5	101.4	163	-86.2	-172.6	143.9	0	0	107.9
364	K	39.6	Very low	38.9	Very low	185 Å²	185	146.8 Å²	146.8	80%	0.804	80%	0.797	S	S	*	*				63	91.3	98.5	-78.5	-168.8	178.4	179.4	0	112.5	D366	K364-D366 PolarHBondContact O-N 2.92Å
365	V	37.3	Very low	38.5	Very low	131 Å²	131	148.5 Å²	148.5	79%	0.794	80%	0.8	S	S	*	*			trans	-58.6	110.1	159.9	175.9	0	0	0	0	108.6
366	D	38.5	Very low	38.2	Very low	141 Å²	141	149.2 Å²	149.2	75%	0.754	80%	0.8	S	S	*	*			trans	-95.9	105	161.1	-93	-23.5	0	0	0	109	K364 R368	K364-D366 PolarHBondContact O-N 2.92Å; D366-R368 PolarHBondContact O-N 3.32Å
367	N	32	Very low	38.8	Very low	141 Å²	141	152.9 Å²	152.9	75%	0.754	80%	0.8	S	S	*	*			trans	-78.7	102.6	171.8	-144.9	37.9	0	0	0	107.3
368	R	37.4	Very low	39.3	Very low	225 Å²	225	156.4 Å²	156.4	85%	0.849	81%	0.806	S	S	*	*			trans	-112.4	102.7	165.5	-75.3	-169.3	-169.1	170.6	6.5	110.2	D366	D366-R368 PolarHBondContact O-N 3.32Å
369	N	34.8	Very low	39.7	Very low	140 Å²	140	156.5 Å²	156.5	75%	0.749	81%	0.806	S	S	*	*			trans	-51.6	159.3	155.1	-93.9	-0.3	0	0	0	112.1
370	S	36.4	Very low	40.1	Very low	113 Å²	113	155.1 Å²	155.1	79%	0.79	81%	0.805	S	S	*	*			trans	75.6	106	163.9	-71.3	0	0	0	0	115.4
371	V	43.1	Very low	40.7	Very low	142 Å²	142	153.2 Å²	153.2	86%	0.861	80%	0.795	S	S	*	*				-148.7	112.3	91.7	-173.3	0	0	0	0	109
372	N	34.1	Very low	41.3	Very low	170 Å²	170	153.7 Å²	153.7	91%	0.909	79%	0.793	S	S	*	*			trans	-76.8	131.8	154.2	-76.5	-17.5	0	0	0	106.4
373	G	32.9	Very low	42.1	Very low	65 Å²	65	149.9 Å²	149.9	67%	0.67	79%	0.79	S	S	*	*			trans	160.6	73.7	171.5	0	0	0	0	0	114
374	L	47.2	Very low	42.6	Very low	163 Å²	163	150.6 Å²	150.6	85%	0.853	79%	0.791	S	S	*	*			trans	-154.9	68.7	153.1	-101	134.4	0	0	0	106.4
375	Q	39.8	Very low	43.2	Very low	178 Å²	178	150 Å²	150	83%	0.832	79%	0.791	S	S	*	*			trans	-106.5	142.4	153.9	-78.1	171	-15.4	0	0	104.5
376	D	40.4	Very low	43.5	Very low	145 Å²	145	153.1 Å²	153.1	78%	0.775	80%	0.797	S	S	*	*			trans	87.2	77.3	178.1	-42.9	-21.1	0	0	0	114.4
377	L	50.6	Low	44	Very low	154 Å²	154	155 Å²	155	81%	0.806	80%	0.802	S	S	*	*			trans	-125.2	95.9	144.5	-74.5	176.6	0	0	0	105.9
378	E	52.1	Low	44.5	Very low	178 Å²	178	157.3 Å²	157.3	83%	0.832	81%	0.808	S	S	*	*			trans	-61	149.8	170.7	-66	176.7	161.1	0	0	109.7	D380	E378-D380 PolarHBondContact O-N 2.85Å
379	D	45.9	Very low	45.1	Very low	135 Å²	135	155.2 Å²	155.2	72%	0.722	81%	0.808	S	S	*	*			trans	-65.5	117.5	-173.8	-54.8	-66.5	0	0	0	111.9
380	D	52.6	Low	45.4	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	81%	0.808	S	S	*	*			trans	-116.5	90.6	157.8	-75	-36.3	0	0	0	107.1	E378 D382	E378-D380 PolarHBondContact O-N 2.85Å; D380-D382 PolarHBondContact O-N 3.44Å
381	D	49.5	Very low	45.9	Very low	129 Å²	129	156.7 Å²	156.7	69%	0.69	81%	0.807	S	S	*	*			trans	-79.8	89.5	165.1	-72.1	-42	0	0	0	107.7
382	D	53	Low	45.8	Very low	130 Å²	130	155.3 Å²	155.3	70%	0.695	80%	0.799	S	S	*	*			trans	-92.2	99	167.2	-77.3	-34.1	0	0	0	109.3	D380 F384	D380-D382 PolarHBondContact O-N 3.44Å; D382-F384 HydrophobicContact CB-CD2 4.43Å; D382-F384 PolarHBondContact O-N 3.44Å
383	D	49.7	Very low	46.8	Very low	160 Å²	160	156.5 Å²	156.5	86%	0.856	80%	0.799	S	S	*	*			trans	-57.3	109.7	155.8	-78.8	-40.9	0	0	0	108.4
384	F	48.1	Very low	47.3	Very low	189 Å²	189	159.8 Å²	159.8	83%	0.829	80%	0.801	S	S	*	*			trans	-109.2	100.8	167.5	-111.7	-91.1	0	0	0	109	D382	D382-F384 HydrophobicContact CB-CD2 4.43Å; D382-F384 PolarHBondContact O-N 3.44Å
385	E	51.4	Low	47.2	Very low	172 Å²	172	158.8 Å²	158.8	80%	0.804	80%	0.797	S	S	*	*			trans	-65.4	126	161.3	-67.5	-172.5	157	0	0	108.7	E387	E385-E387 PolarHBondContact O-N 3.25Å
386	E	44.7	Very low	47.5	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	79%	0.79	S	S	*	*			trans	-72.4	108.3	167.8	-81.4	177	156.3	0	0	108.7
387	E	48.8	Very low	47.7	Very low	181 Å²	181	155.9 Å²	155.9	85%	0.846	79%	0.787	S	S	*	*			trans	-105	126.2	156.8	-71.7	-150.4	164.9	0	0	109.6	E385	E385-E387 PolarHBondContact O-N 3.25Å
388	E	42.2	Very low	47.4	Very low	190 Å²	190	153.2 Å²	153.2	89%	0.888	78%	0.781	S	S	*	*			trans	-72.2	132	177.9	-60.4	-156.7	170.3	0	0	111.3
389	E	50.3	Low	47.2	Very low	180 Å²	180	153.2 Å²	153.2	84%	0.841	78%	0.781	S	S	*	*			trans	-122.8	112	163.5	-79.1	-168.3	169.6	0	0	111.4
390	D	41.2	Very low	47.3	Very low	140 Å²	140	156.2 Å²	156.2	75%	0.749	79%	0.791	S	S	*	*			trans	-57.8	131.7	163.9	-163.3	7.4	0	0	0	110.4
391	N	47.1	Very low	46.7	Very low	145 Å²	145	156.2 Å²	156.2	78%	0.775	79%	0.791	S	S	*	*			trans	-150	96.6	164.9	-92.3	-45	0	0	0	111.1
392	T	39.6	Very low	46.8	Very low	113 Å²	113	159.5 Å²	159.5	69%	0.693	80%	0.802	S	S	*	*			trans	-76.1	125.2	155.9	42.2	0	0	0	0	110.8
393	E	56.4	Low	46.2	Very low	195 Å²	195	161.1 Å²	161.1	91%	0.911	81%	0.811	S	S	*	*			trans	-138.7	128.2	151.9	-87	-172.2	164.4	0	0	110.1
394	N	43.1	Very low	46.1	Very low	134 Å²	134	157.6 Å²	157.6	72%	0.717	81%	0.812	S	S	*	*			trans	-96.4	166.7	178.9	-62.5	-57.8	0	0	0	111
395	D	44.9	Very low	45.6	Very low	142 Å²	142	157.4 Å²	157.4	76%	0.759	81%	0.814	S	S	*	*			trans	69.7	143.1	150.2	-47.8	-32.7	0	0	0	116.9
396	D	46.4	Very low	45.5	Very low	129 Å²	129	160.3 Å²	160.3	69%	0.69	82%	0.819	S	S	*	*			cis	-167.5	150.1	10.9	-139.2	-10.1	0	0	0	109.8
397	D	44.5	Very low	45.4	Very low	132 Å²	132	158.2 Å²	158.2	71%	0.706	81%	0.811	S	S	*	*			trans	63.1	114.2	136	-80	-12.3	0	0	0	126.7
398	S	45	Very low	45.2	Very low	98 Å²	98	156.1 Å²	156.1	69%	0.685	80%	0.804	S	S	*	*				71.9	118.1	123	60.6	0	0	0	0	124.3
399	E	46	Very low	44.9	Very low	179 Å²	179	153.3 Å²	153.3	84%	0.836	80%	0.795	S	S	*	*			trans	24.1	136.9	132.3	-57.9	-172.4	174.3	0	0	121.4
400	E	48.1	Very low	44.5	Very low	198 Å²	198	149.6 Å²	149.6	93%	0.925	79%	0.789	S	S	*	*				-171.2	138.2	121.1	-101.3	174.2	-158.9	0	0	112
401	D	40.5	Very low	44.5	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	79%	0.786	S	S	*	*			trans	-72.7	163	-179.3	-60.6	-62.2	0	0	0	113.7
402	E	51	Low	44.3	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	79%	0.788	S	S	*	*			trans	-167.8	117.2	135.7	-111.3	178.9	-169.6	0	0	113.2
403	D	41.2	Very low	44.4	Very low	165 Å²	165	155 Å²	155	88%	0.882	80%	0.8	S	S	*	*			trans	-82.4	150.6	169.3	-58.8	-51.4	0	0	0	111.5
404	G	48.7	Very low	43.7	Very low	86 Å²	86	151.4 Å²	151.4	89%	0.887	80%	0.795	S	S	*	*			trans	-154.1	92.5	174.8	0	0	0	0	0	114.3
405	E	37.4	Very low	44	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	80%	0.796	S	S	*	*			trans	-119.6	122	170.2	-162	179.2	-137.1	0	0	108.9
406	Y	48.6	Very low	43.9	Very low	233 Å²	233	150 Å²	150	91%	0.914	80%	0.799	S	S	*	*			trans	-151.5	97.3	168.7	-112.8	-83.5	0	0	0	113.7
407	M	43	Very low	43.8	Very low	152 Å²	152	154 Å²	154	75%	0.749	81%	0.805	S	S	*	*			trans	5.8	140.4	132.1	-77.3	-67	-122.5	0	0	124.1
408	I	43.3	Very low	43.8	Very low	137 Å²	137	153.6 Å²	153.6	70%	0.703	80%	0.801	S	S	*	*				103.6	126.3	125.8	-73.9	167.2	0	0	0	123.2
409	D	37.5	Very low	43.8	Very low	132 Å²	132	155.6 Å²	155.6	71%	0.706	80%	0.804	S	S	*	*			trans	60.6	132.4	148.8	-111.8	-25.1	0	0	0	125.9
410	S	41.1	Very low	43.8	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	80%	0.795	S	S	*	*				168.4	113.2	103.2	-74.4	0	0	0	0	114
411	T	41.6	Very low	43.5	Very low	111 Å²	111	150.1 Å²	150.1	68%	0.681	79%	0.786	S	S	*	*			trans	28.5	128.3	134.3	60	0	0	0	0	123
412	N	42.5	Very low	43.8	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	78%	0.78	S	S	*	*				147.9	121.4	114.5	-98.4	-34.3	0	0	0	112.9
413	R	41.2	Very low	43.6	Very low	249 Å²	249	144.9 Å²	144.9	94%	0.94	78%	0.777	S	S	*	*				159.8	136.8	102.3	-132.7	169	-177.2	-129.2	1.9	112.5
414	S	42.7	Very low	43.9	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	77%	0.772	S	S	*	*			trans	-92.1	177.8	-168.4	-92.1	0	0	0	0	115.3
415	P	48.3	Very low	43.8	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	77%	0.768	S	S	*	*			trans	-118.5	178.1	-143	44.3	-35.7	0	0	0	116.4
416	T	43.1	Very low	44.1	Very low	134 Å²	134	140.7 Å²	140.7	82%	0.822	77%	0.765	S	S	*	*			trans	-177.5	147.4	156	5.3	0	0	0	0	108.1
417	R	43.5	Very low	43.9	Very low	214 Å²	214	134.7 Å²	134.7	81%	0.808	76%	0.763	S	S	*	*			cis	-176	148.5	37.8	-118.7	174.8	172.2	-177.8	1.4	109.9
418	I	44.9	Very low	44	Very low	122 Å²	122	131.7 Å²	131.7	63%	0.626	76%	0.763	S	S	*	*			trans	93.5	111.7	131.8	-71.2	168.7	0	0	0	122.7
419	L	45.6	Very low	43.8	Very low	141 Å²	141	131.7 Å²	131.7	74%	0.738	76%	0.764	S	S	*	*				52.2	145.4	128.3	-51.4	174.3	0	0	0	119.4
420	N	44.8	Very low	43.8	Very low	122 Å²	122	135.5 Å²	135.5	65%	0.652	77%	0.768	S	S	*	*			cis	-171.5	162.3	14.5	-126.6	-0.8	0	0	0	110.5
421	N	43.4	Very low	43.6	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	77%	0.774	S	S	*	*			trans	72.2	141.7	154.3	-65.5	5.3	0	0	0	119.4
422	S	45.9	Very low	43.4	Very low	94 Å²	94	139.2 Å²	139.2	66%	0.657	79%	0.785	S	S	*	*			cis	179.3	135.2	-8.5	44	0	0	0	0	108.2
423	V	48	Very low	43	Very low	141 Å²	141	135.5 Å²	135.5	86%	0.855	78%	0.783	S	S	*	*			trans	57.2	126.8	143.8	-172.7	0	0	0	0	117.4
424	S	47.3	Very low	42.8	Very low	112 Å²	112	129 Å²	129	78%	0.783	78%	0.776	S	S	*	*			cis	-170.8	147	38.9	25.3	0	0	0	0	111.2
425	S	45.1	Very low	42.7	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	78%	0.775	S	S	*	*			trans	-83.2	-169.8	172	-71.2	0	0	0	0	113.2
426	P	44.7	Very low	42.4	Very low	122 Å²	122	133 Å²	133	79%	0.792	78%	0.78	S	S	*	*				-135.5	166.5	-51.7	34.8	-18.4	0	0	0	113
427	A	43.2	Very low	42.2	Very low	106 Å²	106	135.3 Å²	135.3	88%	0.876	78%	0.781	S	S	*	*			trans	-160.1	128.8	148.9	0	0	0	0	0	111.9
428	A	45.2	Very low	42	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	78%	0.78	S	S	*	*			trans	-88.2	145.6	-179.9	0	0	0	0	0	112.3
429	N	39.9	Very low	41.6	Very low	137 Å²	137	129.9 Å²	129.9	73%	0.733	79%	0.785	S	S	*	*				168.1	135.4	110	-106.3	-29.9	0	0	0	114.3
430	R	36.7	Very low	41.1	Very low	211 Å²	211	129.5 Å²	129.5	80%	0.796	78%	0.783	S	S	*	*			trans	58.9	106.6	143.7	-64.7	176.3	-172	-144.9	-0.1	118.6
431	I	37.1	Very low	40.9	Very low	161 Å²	161	130.9 Å²	130.9	83%	0.826	78%	0.783	S	S	*	*				56.7	110.8	74.7	-53	176.2	0	0	0	114.2
432	S	37.4	Very low	40.8	Very low	130 Å²	130	129.1 Å²	129.1	91%	0.909	78%	0.781	S	S	*	*			trans	-150.6	103.6	147.5	-73.8	0	0	0	0	107.9
433	G	34.8	Very low	40.4	Very low	75 Å²	75	128.3 Å²	128.3	77%	0.773	78%	0.781	S	S	*	*			trans	-102.9	124.3	169.5	0	0	0	0	0	109
434	S	38	Very low	40	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	78%	0.783	S	S	*	*			trans	-104.4	102.6	170.5	63.1	0	0	0	0	109
435	T	40.7	Very low	39.8	Very low	134 Å²	134	133.8 Å²	133.8	82%	0.822	79%	0.786	S	S	*	*			trans	-90.8	111.4	163.8	-55.5	0	0	0	0	107.1	H437	T435-H437 PolarHBondContact O-N 3.3Å
436	Q	41.6	Very low	39.5	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	79%	0.787	S	S	*	*			trans	-69.5	115.8	173.9	-71.6	-163.7	-23.7	0	0	109.5
437	H	39.2	Very low	39.1	Very low	183 Å²	183	132.3 Å²	132.3	85%	0.847	79%	0.785	S	S	*	*			trans	-71.4	118.4	163.9	-100.8	-81.9	0	0	0	109	T435	T435-H437 PolarHBondContact O-N 3.3Å
438	S	38.8	Very low	39	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	79%	0.785	S	S	*	*			trans	-80.6	120.6	164.9	-63.1	0	0	0	0	109.2	L440	S438-L440 PolarHBondContact O-N 3.4Å
439	P	36.3	Very low	38.7	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	79%	0.785	S	S	*	*	S	Bend	trans	-91.6	87	-168.7	34.4	-32.1	0	0	0	111.9
440	L	35.9	Very low	38.6	Very low	132 Å²	132	139.5 Å²	139.5	69%	0.691	79%	0.793	S	S	*	*			trans	-138.4	-2.2	167	-83	172.5	0	0	0	114.7	S438	S438-L440 PolarHBondContact O-N 3.4Å
441	K	40.5	Very low	38.5	Very low	151 Å²	151	141.5 Å²	141.5	66%	0.657	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	7.3	-179.5	-77.9	-172.2	177.7	177.9	0	116	E19	E19-K441 IonicContact OE2-NZ 3.74Å; E19-K441 PolarHBondContact OE2-NZ 3.43Å
442	S	40.6	Very low	38.5	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	0.2	173	58.9	0	0	0	0	114.6
443	A	38.1	Very low	38.6	Very low	78 Å²	78	141.1 Å²	141.1	65%	0.645	81%	0.813	S	S	*	*	S	Bend	trans	-97.8	0.4	-173.8	0	0	0	0	0	115.5
444	L	38.4	Very low	38.8	Very low	172 Å²	172	144.7 Å²	144.7	90%	0.901	82%	0.815	S	S	*	*	S	Bend	trans	-122	17.5	-175	-93.6	156.9	0	0	0	114.8
445	K	43.6	Very low	38.8	Very low	195 Å²	195	146.6 Å²	146.6	85%	0.848	82%	0.816	S	S	*	*	S	Bend	trans	-122	16	177.6	-155.6	142.8	-176.4	173.2	0	115.6
446	T	39.6	Very low	38.7	Very low	134 Å²	134	147.4 Å²	147.4	82%	0.822	82%	0.816	S	S	*	*	S	Bend	trans	-145.7	20.5	177	20.7	0	0	0	0	114.8
447	G	36.4	Very low	38.5	Very low	73 Å²	73	145.3 Å²	145.3	75%	0.753	81%	0.814	S	S	*	*			trans	-101.4	6.1	-178.6	0	0	0	0	0	116.7	S449	G447-S449 PolarHBondContact O-N 3.11Å
448	I	40.3	Very low	38.5	Very low	170 Å²	170	142.6 Å²	142.6	87%	0.872	81%	0.812	S	S	*	*	S	Bend	trans	-92.8	79	169.2	-58.1	175.7	0	0	0	107.3
449	S	38	Very low	38.5	Very low	106 Å²	106	145 Å²	145	74%	0.741	82%	0.815	S	S	*	*	S	Bend	trans	175.7	118.5	156.1	-84.5	0	0	0	0	109	G447	G447-S449 PolarHBondContact O-N 3.11Å
450	K	38.6	Very low	38.6	Very low	208 Å²	208	147.8 Å²	147.8	90%	0.904	82%	0.822	S	S	*	*			trans	84.5	70.7	175.3	-51.6	-177.4	179.6	-175.8	0	115.9
451	L	33.8	Very low	38.9	Very low	252 Å²	252	149.2 Å²	149.2	100%	1.319	83%	0.834	S	S	*	*				-172.2	0	123.4	-96.4	163.1	0	0	0	109.6

Retrieved 451 of 451 residues in 469.3 ms (Link to these results)

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