A0A096N6G6_PAPAN Loading...

Peroxisome biogenesis factor 10

E3 ubiquitin-protein ligase component of a retrotranslocation channel required for peroxisome organization by mediating export of the PEX5 receptor from peroxisomes to the cytosol, thereby promoting PEX5 recycling. The retrotranslocation channel is composed of PEX2, PEX10 and PEX12; each subunit contributing transmembrane segments that coassemble into an open channel that specifically allows the passage of PEX5 through the peroxisomal membrane. PEX10 also regulates PEX5 recycling by acting as a E3 ubiquitin-protein ligase. When PEX5 recycling is compromised, PEX10 catalyzes polyubiquitination of PEX5 during its passage through the retrotranslocation channel, leading to its degradation.

AlphaFold DB , UniProt , Accession A0A096N6G6, Species PAPAN (Papio anubis, Olive baboon), Gene PEX10, Length 346 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	40	Very low	73.1	Confident	217 Å²	217	56.4 Å²	56.4	100%	1.069	37%	0.368	S	S	*	.				0	130.4	0	-120.4	143.2	93.4	0	0	107.9
2	A	46.3	Very low	74.4	Confident	96 Å²	96	52.6 Å²	52.6	79%	0.793	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-63.5	132.3	-178.3	0	0	0	0	0	109.6
3	P	60.8	Low	75.5	Confident	77 Å²	77	57.8 Å²	57.8	50%	0.5	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-74.4	136.5	-174.1	6.4	7.9	0	0	0	110	Q201	P3-Q201 HydrophobicContact CB-CG 3.67Å; P3-Q201 VanDerWaalsContact CD-NE2 3.32Å; P3-Q201 VanDerWaalsContact CG-CD 3.41Å; P3-Q201 HydrophobicContact CG-CG 4.34Å; P3-Q201 PolarHBondContact O-NE2 3.47Å
4	A	70.5	Confident	76.6	Confident	36 Å²	36	53.9 Å²	53.9	30%	0.298	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-70.6	137.8	-170.7	0	0	0	0	0	111.8	Q201 A202	A4-Q201 WeakPolarHBondContact O-CG 3.44Å; A4-A202 PolarHBondContact O-N 3.48Å
5	A	79.6	Confident	77.5	Confident	83 Å²	83	51.3 Å²	51.3	69%	0.686	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-60.7	140.3	172.4	0	0	0	0	0	110.6
6	A	81.4	Confident	78.5	Confident	14 Å²	14	55.8 Å²	55.8	12%	0.116	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.9	179.3	0	0	0	0	0	111.3	V11 I76 Y200	A6-V11 HydrophobicContact CB-CG2 3.98Å; A6-I76 HydrophobicContact CB-CG2 4.01Å; A6-Y200 PolarHBondContact N-O 2.92Å; A6-Y200 VanDerWaalsContact N-O 3.13Å
7	S	82.9	Confident	79.4	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.14	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.3	151.5	179.1	71.5	0	0	0	0	111.3	P9 E10 V11	S7-P9 VanDerWaalsContact C-CD 3.46Å; S7-P9 WeakPolarHBondContact OG-CG 3.26Å; S7-E10 PolarHBondContact N-OE2 2.83Å; S7-E10 WeakPolarHBondContact O-CB 3.28Å; S7-E10 PolarHBondContact O-N 2.9Å; S7-E10 VanDerWaalsContact OG-CG 3.25Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-OE1 3.05Å; S7-E10 PolarHBondContact OG-OE2 3.25Å; S7-V11 PolarHBondContact O-N 3.25Å; S7-V11 VanDerWaalsContact O-N 3.15Å
8	P	84.4	Confident	80.2	Confident	18 Å²	18	53.3 Å²	53.3	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-48.9	-45.7	175.3	-24.4	31.2	0	0	0	114.9	E10 V11 I12 F182	P8-E10 VanDerWaalsContact C-N 3.3Å; P8-E10 PolarHBondContact O-N 2.96Å; P8-V11 PolarHBondContact O-N 2.99Å; P8-I12 WeakPolarHBondContact O-CD1 3.42Å; P8-I12 VanDerWaalsContact O-CG1 3.23Å; P8-I12 WeakPolarHBondContact O-CG1 3.28Å; P8-I12 PolarHBondContact O-N 3.28Å; P8-F182 HydrophobicContact CB-CZ 4.21Å
9	P	84.9	Confident	80.9	Confident	25 Å²	25	54.8 Å²	54.8	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-30.4	177.9	22.7	-32.3	0	0	0	113.6	S7 R13 Y237	S7-P9 VanDerWaalsContact C-CD 3.46Å; S7-P9 WeakPolarHBondContact OG-CG 3.26Å; P9-R13 WeakPolarHBondContact O-CB 3.33Å; P9-R13 VanDerWaalsContact O-CG 3.28Å; P9-R13 WeakPolarHBondContact O-CG 3.18Å; P9-R13 PolarHBondContact O-N 3.2Å; P9-R13 PolarHBondContact O-NE 2.87Å; P9-Y237 HydrophobicContact CB-CE2 3.7Å; P9-Y237 HydrophobicContact CG-CE2 4Å
10	E	84.9	Confident	81.6	Confident	27 Å²	27	60.3 Å²	60.3	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-47.4	175	-74.1	157.6	-154	0	0	111	S7 P8 I12 R13 A14 V74 I76	S7-E10 PolarHBondContact N-OE2 2.83Å; S7-E10 WeakPolarHBondContact O-CB 3.28Å; S7-E10 PolarHBondContact O-N 2.9Å; S7-E10 VanDerWaalsContact OG-CG 3.25Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-OE1 3.05Å; S7-E10 PolarHBondContact OG-OE2 3.25Å; P8-E10 VanDerWaalsContact C-N 3.3Å; P8-E10 PolarHBondContact O-N 2.96Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 3.04Å; E10-R13 PolarHBondContact O-N 2.91Å; E10-A14 WeakPolarHBondContact O-CB 3.22Å; E10-A14 PolarHBondContact O-N 3.41Å; E10-V74 HydrophobicContact CB-CG1 3.49Å; E10-V74 VanDerWaalsContact CB-CG1 3.49Å; E10-V74 HydrophobicContact CG-CG1 3.6Å; E10-I76 HydrophobicContact CB-CG2 4.36Å
11	V	88.1	Confident	82.2	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-40.8	178.1	179.9	0	0	0	0	111.1	A6 S7 P8 A15 F182 Y200	A6-V11 HydrophobicContact CB-CG2 3.98Å; S7-V11 PolarHBondContact O-N 3.25Å; S7-V11 VanDerWaalsContact O-N 3.15Å; P8-V11 PolarHBondContact O-N 2.99Å; V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.37Å; V11-F182 HydrophobicContact CB-CZ 4.29Å; V11-F182 HydrophobicContact CG1-CE2 4.34Å; V11-F182 HydrophobicContact CG1-CZ 4.26Å; V11-Y200 HydrophobicContact CG1-CD2 4.21Å; V11-Y200 HydrophobicContact CG1-CE2 4.32Å; V11-Y200 HydrophobicContact CG2-CD2 4.09Å; V11-Y200 HydrophobicContact CG2-CG 4.48Å
12	I	89.1	Confident	84.8	Confident	11 Å²	11	52.1 Å²	52.1	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-46.5	177.4	-65.6	161.8	0	0	0	110.9	P8 E10 A14 A15 Q16 F182 Y183 Y237	P8-I12 WeakPolarHBondContact O-CD1 3.42Å; P8-I12 VanDerWaalsContact O-CG1 3.23Å; P8-I12 WeakPolarHBondContact O-CG1 3.28Å; P8-I12 PolarHBondContact O-N 3.28Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 3.04Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 2.89Å; I12-A15 PolarHBondContact O-N 3.42Å; I12-Q16 HydrophobicContact CG2-CG 4.26Å; I12-Q16 WeakPolarHBondContact O-CB 3.4Å; I12-Q16 WeakPolarHBondContact O-CG 3.32Å; I12-Q16 PolarHBondContact O-N 2.99Å; I12-F182 HydrophobicContact CD1-CE1 3.92Å; I12-F182 HydrophobicContact CD1-CZ 4.46Å; I12-F182 HydrophobicContact CG1-CE1 3.75Å; I12-F182 HydrophobicContact CG1-CZ 4.06Å; I12-Y183 HydrophobicContact CD1-CD1 4.45Å; I12-Y183 HydrophobicContact CD1-CE1 3.67Å; I12-Y237 HydrophobicContact CD1-CD1 4.12Å; I12-Y237 HydrophobicContact CD1-CE1 3.53Å
13	R	88.9	Confident	87.2	Confident	120 Å²	120	48.7 Å²	48.7	45%	0.453	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-41.2	179.2	-76.3	-175.1	-62.3	165.5	1.8	111.9	P9 E10 Q16 K17 V74	P9-R13 WeakPolarHBondContact O-CB 3.33Å; P9-R13 VanDerWaalsContact O-CG 3.28Å; P9-R13 WeakPolarHBondContact O-CG 3.18Å; P9-R13 PolarHBondContact O-N 3.2Å; P9-R13 PolarHBondContact O-NE 2.87Å; E10-R13 PolarHBondContact O-N 2.91Å; R13-Q16 PolarHBondContact O-N 3.38Å; R13-K17 WeakPolarHBondContact O-CB 3.48Å; R13-K17 PolarHBondContact O-N 3.27Å; R13-V74 HydrophobicContact CB-CG2 3.93Å
14	A	90.7	Very high	88.9	Confident	3 Å²	3	47 Å²	47	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-49.4	174.6	0	0	0	0	0	110.9	E10 I12 Q16 K17 D18 G70 V74 I76	E10-A14 WeakPolarHBondContact O-CB 3.22Å; E10-A14 PolarHBondContact O-N 3.41Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 2.89Å; A14-Q16 PolarHBondContact O-N 2.8Å; A14-K17 PolarHBondContact O-N 3.38Å; A14-D18 PolarHBondContact O-N 2.81Å; A14-G70 WeakPolarHBondContact CA-O 3.17Å; A14-G70 VanDerWaalsContact CB-O 3.24Å; A14-G70 WeakPolarHBondContact CB-O 3.49Å; A14-G70 WeakPolarHBondContact O-CA 3.05Å; A14-V74 HydrophobicContact CB-CB 4.38Å; A14-V74 HydrophobicContact CB-CG2 3.95Å; A14-I76 HydrophobicContact CB-CD1 3.55Å; A14-I76 HydrophobicContact CB-CG1 4.33Å
15	A	90.6	Very high	90	Very high	16 Å²	16	48.5 Å²	48.5	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-39.5	179.1	0	0	0	0	0	113.2	V11 I12 K17 D18 E19 Y189	V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.37Å; I12-A15 PolarHBondContact O-N 3.42Å; A15-K17 VanDerWaalsContact C-N 3.35Å; A15-D18 PolarHBondContact O-N 2.92Å; A15-E19 PolarHBondContact O-N 3.07Å; A15-Y189 HydrophobicContact CB-CD1 3.77Å; A15-Y189 HydrophobicContact CB-CE1 3.62Å
16	Q	93.1	Very high	90.8	Very high	123 Å²	123	47.2 Å²	47.2	58%	0.575	23%	0.234	S	C	*	.	H	α-helix	trans	-63.6	-41.2	175.3	-76.4	177.2	-17.8	0	0	111.8	I12 R13 A14 E19 Y20	I12-Q16 HydrophobicContact CG2-CG 4.26Å; I12-Q16 WeakPolarHBondContact O-CB 3.4Å; I12-Q16 WeakPolarHBondContact O-CG 3.32Å; I12-Q16 PolarHBondContact O-N 2.99Å; R13-Q16 PolarHBondContact O-N 3.38Å; A14-Q16 PolarHBondContact O-N 2.8Å; Q16-E19 PolarHBondContact O-N 3.46Å; Q16-Y20 PolarHBondContact O-N 2.82Å
17	K	93.8	Very high	91.4	Very high	56 Å²	56	50.7 Å²	50.7	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-40	177.8	-170.8	59.4	160.4	168.7	0	111.3	R13 A14 A15 Y20 Y21 Y73	R13-K17 WeakPolarHBondContact O-CB 3.48Å; R13-K17 PolarHBondContact O-N 3.27Å; A14-K17 PolarHBondContact O-N 3.38Å; A15-K17 VanDerWaalsContact C-N 3.35Å; K17-Y20 WeakPolarHBondContact O-CB 3.19Å; K17-Y20 PolarHBondContact O-N 3.21Å; K17-Y21 HydrophobicContact CD-CD2 4.32Å; K17-Y21 HydrophobicContact CD-CE2 3.72Å; K17-Y21 VanDerWaalsContact CE-CE2 3.48Å; K17-Y21 HydrophobicContact CG-CD2 4.26Å; K17-Y21 HydrophobicContact CG-CE2 3.86Å; K17-Y21 PolarHBondContact NZ-OH 3.34Å; K17-Y21 WeakPolarHBondContact O-CD2 3.4Å; K17-Y21 PolarHBondContact O-N 2.89Å; K17-Y73 HydrophobicContact CB-CD1 4.43Å; K17-Y73 HydrophobicContact CG-CD1 4.24Å; K17-Y73 HydrophobicContact CG-CG 4.11Å
18	D	93.9	Very high	92.1	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-43.1	172.9	-78.7	-28.2	0	0	0	112.3	A14 A15 Y20 Y21 R22 Y57 T68 G70	A14-D18 PolarHBondContact O-N 2.81Å; A15-D18 PolarHBondContact O-N 2.92Å; D18-Y20 VanDerWaalsContact C-N 3.32Å; D18-Y20 PolarHBondContact O-N 3.43Å; D18-Y21 PolarHBondContact O-N 3.24Å; D18-R22 WeakPolarHBondContact O-CB 3.04Å; D18-R22 WeakPolarHBondContact O-CG 3.33Å; D18-R22 PolarHBondContact O-N 2.8Å; D18-Y57 HydrophobicContact CB-CE1 4.43Å; D18-Y57 PolarHBondContact OD1-OH 3.29Å; D18-T68 VanDerWaalsContact CG-OG1 3.3Å; D18-T68 VanDerWaalsContact OD1-CB 3.23Å; D18-T68 WeakPolarHBondContact OD1-CB 3.44Å; D18-T68 PolarHBondContact OD1-OG1 3.45Å; D18-T68 VanDerWaalsContact OD1-OG1 3.07Å; D18-T68 WeakPolarHBondContact OD2-CB 3.3Å; D18-T68 PolarHBondContact OD2-OG1 3.26Å; D18-G70 WeakPolarHBondContact OD1-CA 3.11Å; D18-G70 PolarHBondContact OD1-N 2.78Å
19	E	93.5	Very high	92.6	Very high	82 Å²	82	53.4 Å²	53.4	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-35.2	177.6	-168.5	60.9	-151.2	0	0	112	A15 Q16 R22 G23 R26	A15-E19 PolarHBondContact O-N 3.07Å; Q16-E19 PolarHBondContact O-N 3.46Å; E19-R22 PolarHBondContact O-N 3.47Å; E19-R22 IonicContact OE2-CZ 2.59Å; E19-R22 IonicContact OE2-NH1 3.58Å; E19-R22 PolarHBondContact OE2-NH1 2.95Å; E19-G23 PolarHBondContact O-N 2.74Å; E19-R26 IonicContact OE1-CZ 2.58Å; E19-R26 IonicContact OE1-NH1 3.69Å; E19-R26 PolarHBondContact OE1-NH1 2.86Å; E19-R26 IonicContact OE1-NH2 3.86Å
20	Y	95.3	Very high	93	Very high	164 Å²	164	52.5 Å²	52.5	64%	0.643	28%	0.278	S	S	*	.	H	α-helix	trans	-59.4	-49.6	174.4	175.1	-94.6	0	0	0	112	Q16 K17 D18 G23 G24	Q16-Y20 PolarHBondContact O-N 2.82Å; K17-Y20 WeakPolarHBondContact O-CB 3.19Å; K17-Y20 PolarHBondContact O-N 3.21Å; D18-Y20 VanDerWaalsContact C-N 3.32Å; D18-Y20 PolarHBondContact O-N 3.43Å; Y20-G23 PolarHBondContact O-N 3.21Å; Y20-G24 PolarHBondContact O-N 3.4Å
21	Y	94.4	Very high	93.4	Very high	91 Å²	91	53.2 Å²	53.2	36%	0.357	29%	0.293	S	S	.	.	H	α-helix	trans	-67.7	-40.1	178.9	-74.3	-70.4	0	0	0	112.6	K17 D18 G23 G24 L25 L69	K17-Y21 HydrophobicContact CD-CD2 4.32Å; K17-Y21 HydrophobicContact CD-CE2 3.72Å; K17-Y21 VanDerWaalsContact CE-CE2 3.48Å; K17-Y21 HydrophobicContact CG-CD2 4.26Å; K17-Y21 HydrophobicContact CG-CE2 3.86Å; K17-Y21 PolarHBondContact NZ-OH 3.34Å; K17-Y21 WeakPolarHBondContact O-CD2 3.4Å; K17-Y21 PolarHBondContact O-N 2.89Å; D18-Y21 PolarHBondContact O-N 3.24Å; Y21-G23 VanDerWaalsContact C-N 3.34Å; Y21-G23 PolarHBondContact O-N 3.24Å; Y21-G24 PolarHBondContact O-N 3.44Å; Y21-L25 PolarHBondContact O-N 3.24Å; Y21-L69 HydrophobicContact CD1-CD1 3.93Å; Y21-L69 HydrophobicContact CD2-CB 3.85Å; Y21-L69 HydrophobicContact CD2-CD1 3.73Å; Y21-L69 HydrophobicContact CD2-CG 4.46Å; Y21-L69 HydrophobicContact CE1-CD1 4.17Å; Y21-L69 HydrophobicContact CE2-CB 3.89Å; Y21-L69 HydrophobicContact CE2-CD1 3.96Å; Y21-L69 HydrophobicContact CG-CD1 3.72Å
22	R	94.6	Very high	93.8	Very high	15 Å²	15	55.1 Å²	55.1	6%	0.057	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-43.4	173.4	-74.5	170.2	61	-153.1	6	111.6	D18 E19 G24 L25 R26 D54 Y57	D18-R22 WeakPolarHBondContact O-CB 3.04Å; D18-R22 WeakPolarHBondContact O-CG 3.33Å; D18-R22 PolarHBondContact O-N 2.8Å; E19-R22 PolarHBondContact O-N 3.47Å; E19-R22 IonicContact OE2-CZ 2.59Å; E19-R22 IonicContact OE2-NH1 3.58Å; E19-R22 PolarHBondContact OE2-NH1 2.95Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 2.77Å; R22-L25 PolarHBondContact O-N 3.12Å; R22-R26 VanDerWaalsContact O-CG 3.25Å; R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.17Å; R22-D54 IonicContact CZ-OD1 3.19Å; R22-D54 IonicContact CZ-OD2 3.29Å; R22-D54 IonicContact NE-OD1 3.17Å; R22-D54 PolarHBondContact NE-OD1 2.84Å; R22-D54 IonicContact NE-OD2 2.95Å; R22-D54 IonicContact NH2-OD1 3.86Å; R22-D54 PolarHBondContact NH2-OD1 2.88Å; R22-D54 IonicContact NH2-OD2 2.96Å; R22-D54 PolarHBondContact NH2-OD2 3.41Å; R22-Y57 HydrophobicContact CG-CD1 3.63Å; R22-Y57 HydrophobicContact CG-CD2 4.42Å; R22-Y57 HydrophobicContact CG-CE1 4.1Å; R22-Y57 HydrophobicContact CG-CG 3.81Å
23	G	95.3	Very high	94	Very high	23 Å²	23	56.3 Å²	56.3	24%	0.237	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-41	175.2	0	0	0	0	0	112.8	E19 Y20 Y21 S27	E19-G23 PolarHBondContact O-N 2.74Å; Y20-G23 PolarHBondContact O-N 3.21Å; Y21-G23 VanDerWaalsContact C-N 3.34Å; Y21-G23 PolarHBondContact O-N 3.24Å; G23-S27 WeakPolarHBondContact O-CB 3.3Å; G23-S27 PolarHBondContact O-N 3.18Å; G23-S27 PolarHBondContact O-OG 3.39Å
24	G	95.9	Very high	94.2	Very high	41 Å²	41	54.7 Å²	54.7	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-48.3	172.3	0	0	0	0	0	112.4	Y20 Y21 R22 S27 A28	Y20-G24 PolarHBondContact O-N 3.4Å; Y21-G24 PolarHBondContact O-N 3.44Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 2.77Å; G24-S27 PolarHBondContact O-N 3.3Å; G24-A28 WeakPolarHBondContact O-CB 3.13Å; G24-A28 PolarHBondContact O-N 2.92Å
25	L	95.3	Very high	94.4	Very high	69 Å²	69	58.9 Å²	58.9	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-45.3	179.6	-174.1	63.2	0	0	0	112.1	Y21 R22 S27 A28 A29 S53	Y21-L25 PolarHBondContact O-N 3.24Å; R22-L25 PolarHBondContact O-N 3.12Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.47Å; L25-A28 PolarHBondContact O-N 3.09Å; L25-A29 VanDerWaalsContact O-CB 3.29Å; L25-A29 WeakPolarHBondContact O-CB 3.26Å; L25-A29 PolarHBondContact O-N 3.28Å; L25-S53 VanDerWaalsContact CD2-O 3.25Å; L25-S53 WeakPolarHBondContact CD2-O 3.42Å
26	R	95.3	Very high	94.6	Very high	55 Å²	55	65.5 Å²	65.5	21%	0.208	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-41.9	175.5	-67.8	172.7	-172.7	155.4	-6.1	111.8	E19 R22 G30 E50 D54	E19-R26 IonicContact OE1-CZ 2.58Å; E19-R26 IonicContact OE1-NH1 3.69Å; E19-R26 PolarHBondContact OE1-NH1 2.86Å; E19-R26 IonicContact OE1-NH2 3.86Å; R22-R26 VanDerWaalsContact O-CG 3.25Å; R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.17Å; R26-G30 PolarHBondContact O-N 2.99Å; R26-E50 HydrophobicContact CB-CG 4.43Å; R26-E50 HydrophobicContact CG-CB 4.44Å; R26-E50 HydrophobicContact CG-CG 4.31Å; R26-D54 IonicContact CZ-OD1 3.43Å; R26-D54 VanDerWaalsContact CZ-OD1 3.29Å; R26-D54 IonicContact CZ-OD2 3.75Å; R26-D54 IonicContact NE-OD1 3.62Å; R26-D54 PolarHBondContact NE-OD1 3.5Å; R26-D54 IonicContact NE-OD2 2.93Å; R26-D54 VanDerWaalsContact NH2-CG 3.26Å; R26-D54 IonicContact NH2-OD1 2.76Å; R26-D54 PolarHBondContact NH2-OD1 2.91Å; R26-D54 IonicContact NH2-OD2 3.67Å; R26-D54 PolarHBondContact NH2-OD2 2.86Å
27	S	95.3	Very high	94.6	Very high	87 Å²	87	61.3 Å²	61.3	61%	0.608	36%	0.361	S	S	*	.	H	α-helix	trans	-68	-42.7	179	-58	0	0	0	0	111.5	G23 G24 L25 G30 G31	G23-S27 WeakPolarHBondContact O-CB 3.3Å; G23-S27 PolarHBondContact O-N 3.18Å; G23-S27 PolarHBondContact O-OG 3.39Å; G24-S27 PolarHBondContact O-N 3.3Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 3.47Å; S27-G30 PolarHBondContact O-N 3.36Å; S27-G31 PolarHBondContact O-N 3.43Å
28	A	96.1	Very high	94.5	Very high	64 Å²	64	60.2 Å²	60.2	53%	0.529	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-47.8	176.5	0	0	0	0	0	111.7	G24 L25 G30 G31 A32	G24-A28 WeakPolarHBondContact O-CB 3.13Å; G24-A28 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.09Å; A28-G30 VanDerWaalsContact C-N 3.35Å; A28-G30 PolarHBondContact O-N 3.19Å; A28-G31 PolarHBondContact O-N 3.39Å; A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 3.48Å
29	A	95	Very high	94.3	Very high	31 Å²	31	62 Å²	62	26%	0.256	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-40.2	177.4	0	0	0	0	0	111.8	L25 A32 L33 V49	L25-A29 VanDerWaalsContact O-CB 3.29Å; L25-A29 WeakPolarHBondContact O-CB 3.26Å; L25-A29 PolarHBondContact O-N 3.28Å; A29-A32 PolarHBondContact O-N 3.38Å; A29-L33 PolarHBondContact O-N 3.1Å; A29-V49 HydrophobicContact CB-CG1 3.53Å
30	G	94.1	Very high	94	Very high	7 Å²	7	67.1 Å²	67.1	7%	0.072	40%	0.397	C	S	.	.	H	α-helix	trans	-63.3	-43.4	173.6	0	0	0	0	0	112.5	R26 S27 A28 L33 H34	R26-G30 PolarHBondContact O-N 2.99Å; S27-G30 PolarHBondContact O-N 3.36Å; A28-G30 VanDerWaalsContact C-N 3.35Å; A28-G30 PolarHBondContact O-N 3.19Å; G30-L33 PolarHBondContact O-N 2.92Å; G30-H34 WeakPolarHBondContact O-CB 3.29Å; G30-H34 PolarHBondContact O-N 3.11Å
31	G	94.2	Very high	93.6	Very high	41 Å²	41	64.4 Å²	64.4	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-43	176.1	0	0	0	0	0	112.6	S27 A28 H34 S35	S27-G31 PolarHBondContact O-N 3.43Å; A28-G31 PolarHBondContact O-N 3.39Å; G31-H34 WeakPolarHBondContact O-CB 2.93Å; G31-H34 PolarHBondContact O-N 3.17Å; G31-S35 PolarHBondContact O-N 3.28Å; G31-S35 PolarHBondContact O-OG 3.36Å
32	A	94.8	Very high	93.3	Very high	47 Å²	47	63.5 Å²	63.5	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.5	0	0	0	0	0	112	A28 A29 H34 S35 L36	A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 3.48Å; A29-A32 PolarHBondContact O-N 3.38Å; A32-H34 VanDerWaalsContact C-N 3.33Å; A32-S35 PolarHBondContact O-OG 2.97Å; A32-L36 WeakPolarHBondContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CD1 3.42Å; A32-L36 WeakPolarHBondContact O-CG 3.45Å; A32-L36 PolarHBondContact O-N 3.13Å
33	L	93.8	Very high	93	Very high	36 Å²	36	68.1 Å²	68.1	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-66.8	-38	175.1	-176.8	64.9	0	0	0	111.7	A29 G30 A37 W45 V49	A29-L33 PolarHBondContact O-N 3.1Å; G30-L33 PolarHBondContact O-N 2.92Å; L33-A37 HydrophobicContact CD1-CB 3.72Å; L33-A37 HydrophobicContact CG-CB 4.4Å; L33-A37 WeakPolarHBondContact O-CA 3.17Å; L33-A37 VanDerWaalsContact O-CB 3.32Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.09Å; L33-W45 HydrophobicContact CD2-CB 3.7Å; L33-V49 HydrophobicContact CD2-CG2 3.61Å
34	H	93.9	Very high	92.6	Very high	86 Å²	86	70.4 Å²	70.4	40%	0.398	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-44.5	177.7	-175.1	87.9	0	0	0	111.9	G30 G31 A32 G38 W42	G30-H34 WeakPolarHBondContact O-CB 3.29Å; G30-H34 PolarHBondContact O-N 3.11Å; G31-H34 WeakPolarHBondContact O-CB 2.93Å; G31-H34 PolarHBondContact O-N 3.17Å; A32-H34 VanDerWaalsContact C-N 3.33Å; H34-G38 WeakPolarHBondContact O-CA 3.18Å; H34-G38 PolarHBondContact O-N 3.34Å; H34-W42 HydrophobicContact CB-CB 4.24Å; H34-W42 HydrophobicContact CB-CG 4.12Å; H34-W42 AromaticContact ND1-CE3 3.9Å
35	S	94.5	Very high	92.1	Very high	92 Å²	92	74.4 Å²	74.4	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-69.9	-38.5	178.9	61.9	0	0	0	0	112.9	G31 A32	G31-S35 PolarHBondContact O-N 3.28Å; G31-S35 PolarHBondContact O-OG 3.36Å; A32-S35 PolarHBondContact O-OG 2.97Å
36	L	94.9	Very high	91.8	Very high	154 Å²	154	76.7 Å²	76.7	81%	0.806	42%	0.421	S	S	*	.	H	α-helix	trans	-80.6	-39.1	-177.2	-67.3	171.6	0	0	0	113.6	A32	A32-L36 WeakPolarHBondContact O-CB 3.31Å; A32-L36 WeakPolarHBondContact O-CD1 3.42Å; A32-L36 WeakPolarHBondContact O-CG 3.45Å; A32-L36 PolarHBondContact O-N 3.13Å
37	A	92.1	Very high	91.5	Very high	36 Å²	36	78.2 Å²	78.2	30%	0.298	43%	0.429	S	S	.	.	H	α-helix	trans	-118.7	-1.4	-167.2	0	0	0	0	0	113.9	L33 K41	L33-A37 HydrophobicContact CD1-CB 3.72Å; L33-A37 HydrophobicContact CG-CB 4.4Å; L33-A37 WeakPolarHBondContact O-CA 3.17Å; L33-A37 VanDerWaalsContact O-CB 3.32Å; L33-A37 WeakPolarHBondContact O-CB 3.47Å; L33-A37 PolarHBondContact O-N 3.09Å; A37-K41 HydrophobicContact CB-CB 3.91Å; A37-K41 HydrophobicContact CB-CD 3.93Å; A37-K41 HydrophobicContact CB-CG 3.99Å; A37-K41 WeakPolarHBondContact O-CB 3.3Å
38	G	92.1	Very high	91.3	Very high	33 Å²	33	75.7 Å²	75.7	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	76.8	167.2	179.7	0	0	0	0	0	114.5	H34 R40 K41 W42	H34-G38 WeakPolarHBondContact O-CA 3.18Å; H34-G38 PolarHBondContact O-N 3.34Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.25Å; G38-K41 PolarHBondContact O-N 2.69Å; G38-W42 PolarHBondContact O-N 2.91Å; G38-W42 VanDerWaalsContact O-N 3.09Å
39	A	89.4	Confident	91	Very high	48 Å²	48	73.7 Å²	73.7	40%	0.397	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-38.1	-174.1	0	0	0	0	0	113.9	W42 L43	A39-W42 PolarHBondContact O-N 3.49Å; A39-L43 WeakPolarHBondContact O-CD1 3.48Å; A39-L43 PolarHBondContact O-N 2.97Å
40	R	88	Confident	90.9	Very high	189 Å²	189	75.2 Å²	75.2	71%	0.713	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-47.1	-177.7	-174.2	176.7	179.6	166.8	4.1	111.9	G38 L43 E44	G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.25Å; R40-L43 PolarHBondContact O-N 2.75Å; R40-E44 WeakPolarHBondContact O-CG 3.4Å; R40-E44 PolarHBondContact O-N 2.67Å
41	K	86.2	Confident	90.8	Very high	107 Å²	107	76.3 Å²	76.3	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-73.8	-33.8	-179.5	-168.6	152.9	165.8	-170	0	111.4	A37 G38 E44 W45	A37-K41 HydrophobicContact CB-CB 3.91Å; A37-K41 HydrophobicContact CB-CD 3.93Å; A37-K41 HydrophobicContact CB-CG 3.99Å; A37-K41 WeakPolarHBondContact O-CB 3.3Å; G38-K41 PolarHBondContact O-N 2.69Å; K41-E44 PolarHBondContact O-N 3.17Å; K41-W45 PolarHBondContact O-N 3.18Å
42	W	88.9	Confident	90.8	Very high	73 Å²	73	79.8 Å²	79.8	28%	0.277	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-49.6	170.1	169.6	71.4	0	0	0	112.3	H34 G38 A39 E44 W45 R46	H34-W42 HydrophobicContact CB-CB 4.24Å; H34-W42 HydrophobicContact CB-CG 4.12Å; H34-W42 AromaticContact ND1-CE3 3.9Å; G38-W42 PolarHBondContact O-N 2.91Å; G38-W42 VanDerWaalsContact O-N 3.09Å; A39-W42 PolarHBondContact O-N 3.49Å; W42-E44 VanDerWaalsContact C-N 3.3Å; W42-E44 PolarHBondContact O-N 3.4Å; W42-W45 PolarHBondContact O-N 3.45Å; W42-R46 WeakPolarHBondContact O-CA 3.44Å; W42-R46 VanDerWaalsContact O-CB 3.31Å; W42-R46 WeakPolarHBondContact O-CB 3.44Å; W42-R46 PolarHBondContact O-N 3.07Å
43	L	87.9	Confident	90.8	Very high	111 Å²	111	77.9 Å²	77.9	58%	0.581	39%	0.387	S	S	*	.	H	α-helix	trans	-58.7	-40.7	177.2	-84.3	153.3	0	0	0	112.6	A39 R40	A39-L43 WeakPolarHBondContact O-CD1 3.48Å; A39-L43 PolarHBondContact O-N 2.97Å; R40-L43 PolarHBondContact O-N 2.75Å
44	E	86.3	Confident	90.8	Very high	72 Å²	72	76.8 Å²	76.8	34%	0.336	38%	0.381	S	S	.	.	H	α-helix	trans	-67.3	-41.7	179	-73	179.6	-170.8	0	0	112.8	R40 K41 W42	R40-E44 WeakPolarHBondContact O-CG 3.4Å; R40-E44 PolarHBondContact O-N 2.67Å; K41-E44 PolarHBondContact O-N 3.17Å; W42-E44 VanDerWaalsContact C-N 3.3Å; W42-E44 PolarHBondContact O-N 3.4Å
45	W	86.6	Confident	90.8	Very high	124 Å²	124	75.2 Å²	75.2	47%	0.47	38%	0.377	S	S	.	.	H	α-helix	trans	-97.1	0.3	-175	-76	74.9	0	0	0	113.9	L33 K41 W42 K47 E48 V49	L33-W45 HydrophobicContact CD2-CB 3.7Å; K41-W45 PolarHBondContact O-N 3.18Å; W42-W45 PolarHBondContact O-N 3.45Å; W45-K47 VanDerWaalsContact C-N 3.35Å; W45-K47 PolarHBondContact O-N 3Å; W45-E48 HydrophobicContact CE3-CB 3.97Å; W45-E48 HydrophobicContact CE3-CG 4.02Å; W45-E48 WeakPolarHBondContact O-CA 2.99Å; W45-E48 WeakPolarHBondContact O-CB 3.32Å; W45-E48 PolarHBondContact O-N 3.32Å; W45-V49 HydrophobicContact CB-CG2 4.44Å; W45-V49 WeakPolarHBondContact O-CG2 3.49Å; W45-V49 PolarHBondContact O-N 3Å
46	R	88.6	Confident	90.8	Very high	118 Å²	118	73 Å²	73	45%	0.445	37%	0.365	S	S	.	.	H	α-helix	trans	-49.6	-51.6	-174.9	179.1	176.4	172.3	176.5	3	112.9	W42 E48 V49 E50	W42-R46 WeakPolarHBondContact O-CA 3.44Å; W42-R46 VanDerWaalsContact O-CB 3.31Å; W42-R46 WeakPolarHBondContact O-CB 3.44Å; W42-R46 PolarHBondContact O-N 3.07Å; R46-E48 PolarHBondContact O-N 3.43Å; R46-V49 PolarHBondContact O-N 2.76Å; R46-E50 WeakPolarHBondContact CG-OE1 3.47Å; R46-E50 IonicContact CZ-OE1 3.64Å; R46-E50 IonicContact NE-OE1 3.34Å; R46-E50 PolarHBondContact NE-OE1 3.33Å; R46-E50 IonicContact NH2-OE1 2.77Å; R46-E50 WeakPolarHBondContact O-CB 3.46Å; R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 3.47Å
47	K	87.9	Confident	90.8	Very high	86 Å²	86	66.6 Å²	66.6	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-30.3	-179.8	-68.1	-164.2	173.2	-159.5	0	112.7	W45 L51 Y104 D107	W45-K47 VanDerWaalsContact C-N 3.35Å; W45-K47 PolarHBondContact O-N 3Å; K47-L51 WeakPolarHBondContact O-CB 3.28Å; K47-L51 PolarHBondContact O-N 2.78Å; K47-L51 VanDerWaalsContact O-N 3.1Å; K47-Y104 HydrophobicContact CB-CE2 4.17Å; K47-D107 IonicContact NZ-OD2 2.78Å
48	E	90.9	Very high	90.8	Very high	34 Å²	34	65.8 Å²	65.8	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-76.2	-42	179.4	-42.3	-43.1	153.7	0	0	111.3	W45 R46 E50 L51 L52 Y104 K108	W45-E48 HydrophobicContact CE3-CB 3.97Å; W45-E48 HydrophobicContact CE3-CG 4.02Å; W45-E48 WeakPolarHBondContact O-CA 2.99Å; W45-E48 WeakPolarHBondContact O-CB 3.32Å; W45-E48 PolarHBondContact O-N 3.32Å; R46-E48 PolarHBondContact O-N 3.43Å; E48-E50 VanDerWaalsContact C-N 3.32Å; E48-L51 PolarHBondContact O-N 3.04Å; E48-L52 WeakPolarHBondContact O-CB 3.35Å; E48-L52 VanDerWaalsContact O-CG 3.26Å; E48-L52 WeakPolarHBondContact O-CG 3.34Å; E48-L52 PolarHBondContact O-N 2.85Å; E48-Y104 PolarHBondContact OE1-OH 3.08Å; E48-Y104 WeakPolarHBondContact OE2-CE2 3.41Å; E48-Y104 PolarHBondContact OE2-OH 3.02Å; E48-K108 VanDerWaalsContact OE1-CE 3.31Å; E48-K108 WeakPolarHBondContact OE1-CE 3.49Å; E48-K108 IonicContact OE1-NZ 2.85Å; E48-K108 PolarHBondContact OE1-NZ 3.01Å
49	V	91.3	Very high	90.9	Very high	22 Å²	22	65.3 Å²	65.3	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-40.7	174.7	175.9	0	0	0	0	110.6	A29 L33 W45 R46 L52 S53	A29-V49 HydrophobicContact CB-CG1 3.53Å; L33-V49 HydrophobicContact CD2-CG2 3.61Å; W45-V49 HydrophobicContact CB-CG2 4.44Å; W45-V49 WeakPolarHBondContact O-CG2 3.49Å; W45-V49 PolarHBondContact O-N 3Å; R46-V49 PolarHBondContact O-N 2.76Å; V49-L52 PolarHBondContact O-N 2.92Å; V49-S53 VanDerWaalsContact O-CB 3.31Å; V49-S53 WeakPolarHBondContact O-CB 3.43Å; V49-S53 PolarHBondContact O-N 2.8Å; V49-S53 PolarHBondContact O-OG 3.02Å
50	E	92.3	Very high	91	Very high	64 Å²	64	69.5 Å²	69.5	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175	-73.7	171.6	-174.7	0	0	111.5	R26 R46 E48 S53 D54	R26-E50 HydrophobicContact CB-CG 4.43Å; R26-E50 HydrophobicContact CG-CB 4.44Å; R26-E50 HydrophobicContact CG-CG 4.31Å; R46-E50 WeakPolarHBondContact CG-OE1 3.47Å; R46-E50 IonicContact CZ-OE1 3.64Å; R46-E50 IonicContact NE-OE1 3.34Å; R46-E50 PolarHBondContact NE-OE1 3.33Å; R46-E50 IonicContact NH2-OE1 2.77Å; R46-E50 WeakPolarHBondContact O-CB 3.46Å; R46-E50 WeakPolarHBondContact O-CG 3.47Å; R46-E50 PolarHBondContact O-N 3.47Å; E48-E50 VanDerWaalsContact C-N 3.32Å; E50-S53 PolarHBondContact O-N 2.82Å; E50-D54 PolarHBondContact O-N 2.78Å; E50-D54 VanDerWaalsContact O-N 3.11Å
51	L	92.9	Very high	91.2	Very high	30 Å²	30	61.3 Å²	61.3	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.9	177.5	66.7	0	0	0	112.3	K47 E48 S53 D54 V55 A100 V101 Y104	K47-L51 WeakPolarHBondContact O-CB 3.28Å; K47-L51 PolarHBondContact O-N 2.78Å; K47-L51 VanDerWaalsContact O-N 3.1Å; E48-L51 PolarHBondContact O-N 3.04Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.19Å; L51-D54 PolarHBondContact O-N 3.06Å; L51-V55 HydrophobicContact CD1-CG2 4.09Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 WeakPolarHBondContact O-CG2 3.24Å; L51-V55 PolarHBondContact O-N 3.22Å; L51-A100 VanDerWaalsContact CD1-O 3.32Å; L51-A100 WeakPolarHBondContact CD1-O 3.42Å; L51-V101 HydrophobicContact CD1-CG2 4.33Å; L51-Y104 HydrophobicContact CB-CD2 4.29Å; L51-Y104 HydrophobicContact CD1-CG 4.4Å; L51-Y104 HydrophobicContact CD2-CD1 3.78Å; L51-Y104 HydrophobicContact CD2-CD2 4.06Å; L51-Y104 HydrophobicContact CD2-CE1 4.03Å; L51-Y104 HydrophobicContact CD2-CE2 4.26Å; L51-Y104 HydrophobicContact CD2-CG 3.82Å
52	L	93.4	Very high	91.4	Very high	113 Å²	113	56.4 Å²	56.4	59%	0.592	28%	0.28	S	S	*	.	H	α-helix	trans	-61.7	-39.9	179.9	-75.3	172	0	0	0	111.4	E48 V49 V55 A56	E48-L52 WeakPolarHBondContact O-CB 3.35Å; E48-L52 VanDerWaalsContact O-CG 3.26Å; E48-L52 WeakPolarHBondContact O-CG 3.34Å; E48-L52 PolarHBondContact O-N 2.85Å; V49-L52 PolarHBondContact O-N 2.92Å; L52-V55 PolarHBondContact O-N 3.13Å; L52-A56 WeakPolarHBondContact O-CB 3.5Å; L52-A56 PolarHBondContact O-N 3.27Å
53	S	94.4	Very high	91.5	Very high	8 Å²	8	56.3 Å²	56.3	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.2	-59.3	0	0	0	0	111.2	L25 V49 E50 L51 A56 Y57	L25-S53 VanDerWaalsContact CD2-O 3.25Å; L25-S53 WeakPolarHBondContact CD2-O 3.42Å; V49-S53 VanDerWaalsContact O-CB 3.31Å; V49-S53 WeakPolarHBondContact O-CB 3.43Å; V49-S53 PolarHBondContact O-N 2.8Å; V49-S53 PolarHBondContact O-OG 3.02Å; E50-S53 PolarHBondContact O-N 2.82Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 3.19Å; S53-A56 PolarHBondContact O-N 3.06Å; S53-Y57 PolarHBondContact O-N 2.99Å
54	D	93.3	Very high	91.5	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-44.9	178.1	-76.5	-14.7	0	0	0	112.7	R22 R26 E50 L51 A56 Y57 F58 A100	R22-D54 IonicContact CZ-OD1 3.19Å; R22-D54 IonicContact CZ-OD2 3.29Å; R22-D54 IonicContact NE-OD1 3.17Å; R22-D54 PolarHBondContact NE-OD1 2.84Å; R22-D54 IonicContact NE-OD2 2.95Å; R22-D54 IonicContact NH2-OD1 3.86Å; R22-D54 PolarHBondContact NH2-OD1 2.88Å; R22-D54 IonicContact NH2-OD2 2.96Å; R22-D54 PolarHBondContact NH2-OD2 3.41Å; R26-D54 IonicContact CZ-OD1 3.43Å; R26-D54 VanDerWaalsContact CZ-OD1 3.29Å; R26-D54 IonicContact CZ-OD2 3.75Å; R26-D54 IonicContact NE-OD1 3.62Å; R26-D54 PolarHBondContact NE-OD1 3.5Å; R26-D54 IonicContact NE-OD2 2.93Å; R26-D54 VanDerWaalsContact NH2-CG 3.26Å; R26-D54 IonicContact NH2-OD1 2.76Å; R26-D54 PolarHBondContact NH2-OD1 2.91Å; R26-D54 IonicContact NH2-OD2 3.67Å; R26-D54 PolarHBondContact NH2-OD2 2.86Å; E50-D54 PolarHBondContact O-N 2.78Å; E50-D54 VanDerWaalsContact O-N 3.11Å; L51-D54 PolarHBondContact O-N 3.06Å; D54-A56 VanDerWaalsContact C-N 3.32Å; D54-Y57 PolarHBondContact O-N 3.4Å; D54-F58 WeakPolarHBondContact O-CD2 3.43Å; D54-F58 PolarHBondContact O-N 2.91Å; D54-A100 HydrophobicContact CB-CB 4.22Å
55	V	94.1	Very high	91.4	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-38.7	177.4	172	0	0	0	0	110.7	L51 L52 G59 A100 V101	L51-V55 HydrophobicContact CD1-CG2 4.09Å; L51-V55 HydrophobicContact CG-CG2 4.35Å; L51-V55 WeakPolarHBondContact O-CG2 3.24Å; L51-V55 PolarHBondContact O-N 3.22Å; L52-V55 PolarHBondContact O-N 3.13Å; V55-G59 VanDerWaalsContact O-CA 3.31Å; V55-G59 WeakPolarHBondContact O-CA 3.46Å; V55-G59 PolarHBondContact O-N 3.28Å; V55-A100 HydrophobicContact CG2-CB 4.28Å; V55-V101 HydrophobicContact CG2-CG2 4.33Å
56	A	94.4	Very high	91.5	Very high	45 Å²	45	54.1 Å²	54.1	37%	0.372	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-46.2	174.9	0	0	0	0	0	111.4	L52 S53 D54 G59 L60	L52-A56 WeakPolarHBondContact O-CB 3.5Å; L52-A56 PolarHBondContact O-N 3.27Å; S53-A56 PolarHBondContact O-N 3.06Å; D54-A56 VanDerWaalsContact C-N 3.32Å; A56-G59 PolarHBondContact O-N 3.34Å; A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.79Å
57	Y	95	Very high	91.6	Very high	20 Å²	20	52 Å²	52	8%	0.078	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-52.9	177.7	-179.1	-100.6	0	0	0	111.8	D18 R22 S53 D54 G59 T61 T68 L69	D18-Y57 HydrophobicContact CB-CE1 4.43Å; D18-Y57 PolarHBondContact OD1-OH 3.29Å; R22-Y57 HydrophobicContact CG-CD1 3.63Å; R22-Y57 HydrophobicContact CG-CD2 4.42Å; R22-Y57 HydrophobicContact CG-CE1 4.1Å; R22-Y57 HydrophobicContact CG-CG 3.81Å; S53-Y57 PolarHBondContact O-N 2.99Å; D54-Y57 PolarHBondContact O-N 3.4Å; Y57-G59 VanDerWaalsContact C-N 3.3Å; Y57-G59 PolarHBondContact O-N 3.48Å; Y57-T61 HydrophobicContact CE2-CG2 4.47Å; Y57-T61 WeakPolarHBondContact O-CB 3.47Å; Y57-T61 WeakPolarHBondContact O-CG2 3.33Å; Y57-T61 PolarHBondContact O-N 3.28Å; Y57-T61 VanDerWaalsContact O-N 3.13Å; Y57-T61 PolarHBondContact O-OG1 2.83Å; Y57-T68 HydrophobicContact CE1-CG2 4.49Å; Y57-L69 HydrophobicContact CE2-CD1 4.12Å; Y57-L69 HydrophobicContact CE2-CG 4.39Å; Y57-L69 PolarHBondContact OH-N 3.23Å
58	F	92.9	Very high	91.9	Very high	19 Å²	19	48 Å²	48	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-72.5	-24	179.5	-70.8	-59.6	0	0	0	113.3	D54 T61 T62 L63 V96 H99	D54-F58 WeakPolarHBondContact O-CD2 3.43Å; D54-F58 PolarHBondContact O-N 2.91Å; F58-T61 WeakPolarHBondContact CA-OG1 3.36Å; F58-T62 PolarHBondContact O-N 3.44Å; F58-L63 PolarHBondContact O-N 2.92Å; F58-V96 HydrophobicContact CB-CB 4.38Å; F58-V96 HydrophobicContact CB-CG1 3.73Å; F58-V96 HydrophobicContact CB-CG2 3.72Å; F58-V96 HydrophobicContact CG-CG2 4.35Å; F58-H99 AromaticContact CE2-CD2 3.54Å; F58-H99 AromaticContact CZ-CD2 3.64Å; F58-H99 AromaticContact CZ-NE2 3.89Å
59	G	93.3	Very high	92	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	28%	0.276	C	S	.	.	I	π-helix	trans	-66.4	-49.2	174.1	0	0	0	0	0	111.9	V55 A56 Y57 T61 A64	V55-G59 VanDerWaalsContact O-CA 3.31Å; V55-G59 WeakPolarHBondContact O-CA 3.46Å; V55-G59 PolarHBondContact O-N 3.28Å; A56-G59 PolarHBondContact O-N 3.34Å; Y57-G59 VanDerWaalsContact C-N 3.3Å; Y57-G59 PolarHBondContact O-N 3.48Å; G59-T61 VanDerWaalsContact C-N 3.33Å; G59-A64 PolarHBondContact O-N 3.36Å
60	L	92.7	Very high	92	Very high	137 Å²	137	48.6 Å²	48.6	72%	0.717	27%	0.269	S	S	*	.	I	π-helix	trans	-72.7	-25.8	179.5	-66.4	173.1	0	0	0	113.1	A56 A64	A56-L60 WeakPolarHBondContact O-CG 3.39Å; A56-L60 PolarHBondContact O-N 2.79Å; L60-A64 WeakPolarHBondContact O-CB 3.19Å
61	T	92.4	Very high	91.9	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.098	26%	0.256	C	S	.	.	I	π-helix	trans	-98.9	-84.7	179.2	56.1	0	0	0	0	111.2	Y57 F58 G59 L63 A64 G65 Y66	Y57-T61 HydrophobicContact CE2-CG2 4.47Å; Y57-T61 WeakPolarHBondContact O-CB 3.47Å; Y57-T61 WeakPolarHBondContact O-CG2 3.33Å; Y57-T61 PolarHBondContact O-N 3.28Å; Y57-T61 VanDerWaalsContact O-N 3.13Å; Y57-T61 PolarHBondContact O-OG1 2.83Å; F58-T61 WeakPolarHBondContact CA-OG1 3.36Å; G59-T61 VanDerWaalsContact C-N 3.33Å; T61-L63 PolarHBondContact O-N 2.84Å; T61-A64 PolarHBondContact O-N 3.18Å; T61-G65 PolarHBondContact O-N 3.01Å; T61-Y66 CarbonylContact C-O 3.59Å; T61-Y66 PolarHBondContact O-N 3.42Å; T61-Y66 VanDerWaalsContact O-O 3.09Å
62	T	89.7	Confident	91.7	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.025	28%	0.275	C	S	.	.	I	π-helix	trans	-64.5	-43.3	-169.9	-55.3	0	0	0	0	113.1	F58 G65 T68 R92 L95 V96	F58-T62 PolarHBondContact O-N 3.44Å; T62-G65 PolarHBondContact O-N 2.99Å; T62-T68 WeakPolarHBondContact OG1-CG2 3.44Å; T62-R92 HydrophobicContact CG2-CB 4.3Å; T62-R92 HydrophobicContact CG2-CG 4.39Å; T62-R92 VanDerWaalsContact O-CD 3.28Å; T62-R92 WeakPolarHBondContact O-CD 3.35Å; T62-L95 HydrophobicContact CG2-CD2 4.05Å; T62-V96 HydrophobicContact CG2-CG2 4.19Å
63	L	90.1	Very high	91.5	Very high	71 Å²	71	51.6 Å²	51.6	37%	0.372	27%	0.274	S	S	.	.	I	π-helix	trans	-69.6	-42.8	179.9	-63	-176.9	0	0	0	112	F58 T61 G65 R92 V96	F58-L63 PolarHBondContact O-N 2.92Å; T61-L63 PolarHBondContact O-N 2.84Å; L63-G65 PolarHBondContact O-N 3.24Å; L63-R92 HydrophobicContact CD2-CB 4.17Å; L63-V96 HydrophobicContact CD1-CG1 4.39Å; L63-V96 HydrophobicContact CD2-CB 4.04Å; L63-V96 HydrophobicContact CD2-CG2 3.71Å; L63-V96 HydrophobicContact CG-CB 4.38Å; L63-V96 HydrophobicContact CG-CG2 3.95Å
64	A	89	Confident	91.1	Very high	59 Å²	59	52.2 Å²	52.2	49%	0.488	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.1	174	0	0	0	0	0	113.1	G59 L60 T61 Y66	G59-A64 PolarHBondContact O-N 3.36Å; L60-A64 WeakPolarHBondContact O-CB 3.19Å; T61-A64 PolarHBondContact O-N 3.18Å; A64-Y66 HydrophobicContact CB-CD2 3.7Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å
65	G	84.9	Confident	90.8	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	13.6	177.6	0	0	0	0	0	115.7	T61 T62 L63	T61-G65 PolarHBondContact O-N 3.01Å; T62-G65 PolarHBondContact O-N 2.99Å; L63-G65 PolarHBondContact O-N 3.24Å
66	Y	88.7	Confident	90.5	Very high	172 Å²	172	52.3 Å²	52.3	68%	0.675	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-86	158.2	168.5	-61.1	-70.9	0	0	0	110.4	T61 A64	T61-Y66 CarbonylContact C-O 3.59Å; T61-Y66 PolarHBondContact O-N 3.42Å; T61-Y66 VanDerWaalsContact O-O 3.09Å; A64-Y66 HydrophobicContact CB-CD2 3.7Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å
67	Q	90.6	Very high	90.3	Very high	74 Å²	74	51.9 Å²	51.9	35%	0.346	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.1	170.1	-71	171.5	-42.5	0	0	109.5	E71 I76 V77	Q67-E71 WeakPolarHBondContact CA-OE2 3.18Å; Q67-E71 HydrophobicContact CB-CB 4.06Å; Q67-I76 PolarHBondContact NE2-O 2.92Å; Q67-V77 HydrophobicContact CG-CG2 4.4Å
68	T	93.5	Very high	90	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.2	161.3	167.6	69.6	0	0	0	0	110.5	D18 Y57 T62 G70 E71 E72	D18-T68 VanDerWaalsContact CG-OG1 3.3Å; D18-T68 VanDerWaalsContact OD1-CB 3.23Å; D18-T68 WeakPolarHBondContact OD1-CB 3.44Å; D18-T68 PolarHBondContact OD1-OG1 3.45Å; D18-T68 VanDerWaalsContact OD1-OG1 3.07Å; D18-T68 WeakPolarHBondContact OD2-CB 3.3Å; D18-T68 PolarHBondContact OD2-OG1 3.26Å; Y57-T68 HydrophobicContact CE1-CG2 4.49Å; T62-T68 WeakPolarHBondContact OG1-CG2 3.44Å; T68-G70 PolarHBondContact O-N 3.37Å; T68-E71 PolarHBondContact N-OE2 3.14Å; T68-E71 WeakPolarHBondContact O-CB 3.29Å; T68-E71 PolarHBondContact O-N 3.2Å; T68-E71 WeakPolarHBondContact OG1-CB 3.27Å; T68-E71 VanDerWaalsContact OG1-CD 3.24Å; T68-E71 WeakPolarHBondContact OG1-CG 3.37Å; T68-E71 PolarHBondContact OG1-N 2.91Å; T68-E72 PolarHBondContact O-N 2.95Å
69	L	92.1	Very high	89.8	Confident	69 Å²	69	51 Å²	51	36%	0.361	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-32.9	178.3	-62.9	176.4	0	0	0	112	Y21 Y57 Y73	Y21-L69 HydrophobicContact CD1-CD1 3.93Å; Y21-L69 HydrophobicContact CD2-CB 3.85Å; Y21-L69 HydrophobicContact CD2-CD1 3.73Å; Y21-L69 HydrophobicContact CD2-CG 4.46Å; Y21-L69 HydrophobicContact CE1-CD1 4.17Å; Y21-L69 HydrophobicContact CE2-CB 3.89Å; Y21-L69 HydrophobicContact CE2-CD1 3.96Å; Y21-L69 HydrophobicContact CG-CD1 3.72Å; Y57-L69 HydrophobicContact CE2-CD1 4.12Å; Y57-L69 HydrophobicContact CE2-CG 4.39Å; Y57-L69 PolarHBondContact OH-N 3.23Å; L69-Y73 VanDerWaalsContact O-CB 3.26Å; L69-Y73 WeakPolarHBondContact O-CB 3.47Å; L69-Y73 PolarHBondContact O-N 3.5Å
70	G	91.5	Very high	89.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-37.3	172.8	0	0	0	0	0	113	A14 D18 T68 Y73 V74	A14-G70 WeakPolarHBondContact CA-O 3.17Å; A14-G70 VanDerWaalsContact CB-O 3.24Å; A14-G70 WeakPolarHBondContact CB-O 3.49Å; A14-G70 WeakPolarHBondContact O-CA 3.05Å; D18-G70 WeakPolarHBondContact OD1-CA 3.11Å; D18-G70 PolarHBondContact OD1-N 2.78Å; T68-G70 PolarHBondContact O-N 3.37Å; G70-Y73 PolarHBondContact O-N 3.03Å; G70-V74 PolarHBondContact O-N 3.47Å
71	E	90.5	Very high	88.9	Confident	2 Å²	2	48 Å²	48	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-44.5	175.6	-75.4	167.2	-177.4	0	0	112	Q67 T68 V74 S75 I76 Q78 Y200	Q67-E71 WeakPolarHBondContact CA-OE2 3.18Å; Q67-E71 HydrophobicContact CB-CB 4.06Å; T68-E71 PolarHBondContact N-OE2 3.14Å; T68-E71 WeakPolarHBondContact O-CB 3.29Å; T68-E71 PolarHBondContact O-N 3.2Å; T68-E71 WeakPolarHBondContact OG1-CB 3.27Å; T68-E71 VanDerWaalsContact OG1-CD 3.24Å; T68-E71 WeakPolarHBondContact OG1-CG 3.37Å; T68-E71 PolarHBondContact OG1-N 2.91Å; E71-V74 PolarHBondContact O-N 2.91Å; E71-S75 WeakPolarHBondContact O-CA 3.45Å; E71-S75 PolarHBondContact O-N 3.44Å; E71-I76 HydrophobicContact CB-CG1 4.15Å; E71-I76 WeakPolarHBondContact CB-O 2.99Å; E71-I76 HydrophobicContact CG-CD1 4.38Å; E71-I76 HydrophobicContact CG-CG1 4.06Å; E71-I76 PolarHBondContact O-N 3.27Å; E71-Q78 VanDerWaalsContact OE1-CG 3.28Å; E71-Q78 WeakPolarHBondContact OE1-CG 3.47Å; E71-Q78 PolarHBondContact OE1-NE2 2.59Å; E71-Q78 PolarHBondContact OE2-NE2 3.47Å; E71-Y200 HydrophobicContact CG-CE1 3.79Å; E71-Y200 VanDerWaalsContact OE1-CE1 3.25Å; E71-Y200 WeakPolarHBondContact OE1-CE1 3.41Å; E71-Y200 PolarHBondContact OE1-OH 2.97Å
72	E	89.6	Confident	88.3	Confident	120 Å²	120	50.1 Å²	50.1	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-61.7	-44.6	174.6	-171.9	-177.6	175.1	0	0	111.3	T68 V74 S75	T68-E72 PolarHBondContact O-N 2.95Å; E72-V74 PolarHBondContact O-N 2.99Å; E72-S75 PolarHBondContact O-N 3.43Å
73	Y	88.5	Confident	87.8	Confident	148 Å²	148	55.6 Å²	55.6	58%	0.58	30%	0.295	S	S	*	.	H	α-helix	trans	-57.3	-35.7	179.7	179.4	-103.9	0	0	0	113.4	K17 L69 G70	K17-Y73 HydrophobicContact CB-CD1 4.43Å; K17-Y73 HydrophobicContact CG-CD1 4.24Å; K17-Y73 HydrophobicContact CG-CG 4.11Å; L69-Y73 VanDerWaalsContact O-CB 3.26Å; L69-Y73 WeakPolarHBondContact O-CB 3.47Å; L69-Y73 PolarHBondContact O-N 3.5Å; G70-Y73 PolarHBondContact O-N 3.03Å
74	V	85.9	Confident	87	Confident	22 Å²	22	57.5 Å²	57.5	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-101.9	0.5	179.2	-166.3	0	0	0	0	112.3	E10 R13 A14 G70 E71 E72 I76	E10-V74 HydrophobicContact CB-CG1 3.49Å; E10-V74 VanDerWaalsContact CB-CG1 3.49Å; E10-V74 HydrophobicContact CG-CG1 3.6Å; R13-V74 HydrophobicContact CB-CG2 3.93Å; A14-V74 HydrophobicContact CB-CB 4.38Å; A14-V74 HydrophobicContact CB-CG2 3.95Å; G70-V74 PolarHBondContact O-N 3.47Å; E71-V74 PolarHBondContact O-N 2.91Å; E72-V74 PolarHBondContact O-N 2.99Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 HydrophobicContact CB-CG2 4.43Å; V74-I76 HydrophobicContact CG1-CG2 4.19Å; V74-I76 PolarHBondContact O-N 2.53Å
75	S	87.6	Confident	86.6	Confident	65 Å²	65	63.9 Å²	63.9	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	46.9	-176.9	-52.6	0	0	0	0	112.8	E71 E72 L203	E71-S75 WeakPolarHBondContact O-CA 3.45Å; E71-S75 PolarHBondContact O-N 3.44Å; E72-S75 PolarHBondContact O-N 3.43Å; S75-L203 PolarHBondContact O-N 2.69Å
76	I	88.4	Confident	86.5	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.9	173.9	62.2	173.6	0	0	0	110.2	A6 E10 A14 Q67 E71 V74 Y200 Q201 A202	A6-I76 HydrophobicContact CB-CG2 4.01Å; E10-I76 HydrophobicContact CB-CG2 4.36Å; A14-I76 HydrophobicContact CB-CD1 3.55Å; A14-I76 HydrophobicContact CB-CG1 4.33Å; Q67-I76 PolarHBondContact NE2-O 2.92Å; E71-I76 HydrophobicContact CB-CG1 4.15Å; E71-I76 WeakPolarHBondContact CB-O 2.99Å; E71-I76 HydrophobicContact CG-CD1 4.38Å; E71-I76 HydrophobicContact CG-CG1 4.06Å; E71-I76 PolarHBondContact O-N 3.27Å; V74-I76 VanDerWaalsContact C-N 3.33Å; V74-I76 HydrophobicContact CB-CG2 4.43Å; V74-I76 HydrophobicContact CG1-CG2 4.19Å; V74-I76 PolarHBondContact O-N 2.53Å; I76-Y200 HydrophobicContact CB-CD1 4.19Å; I76-Y200 HydrophobicContact CD1-CD1 3.73Å; I76-Y200 HydrophobicContact CD1-CE1 3.93Å; I76-Y200 HydrophobicContact CD1-CG 4.08Å; I76-Y200 HydrophobicContact CG1-CD1 4.01Å; I76-Y200 HydrophobicContact CG1-CE1 4.25Å; I76-Q201 WeakPolarHBondContact CA-O 3.33Å; I76-A202 HydrophobicContact CG2-CB 4.44Å
77	V	89.6	Confident	86.4	Confident	37 Å²	37	58.4 Å²	58.4	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.8	178.7	68.1	0	0	0	0	111.4	Q67 V79 Y200 Q201 L203	Q67-V77 HydrophobicContact CG-CG2 4.4Å; V77-V79 HydrophobicContact CG1-CG2 3.99Å; V77-Y200 WeakPolarHBondContact O-CA 3.31Å; V77-Y200 WeakPolarHBondContact O-CD1 3.16Å; V77-Q201 HydrophobicContact CG1-CB 4.27Å; V77-Q201 PolarHBondContact N-O 3.03Å; V77-Q201 PolarHBondContact O-N 3.4Å; V77-L203 HydrophobicContact CB-CD1 3.76Å; V77-L203 HydrophobicContact CG1-CD1 3.62Å
78	Q	89.1	Confident	86.3	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.056	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.7	172.9	-63.5	-175.7	31.5	0	0	110.7	E71 P87 I198 Y200	E71-Q78 VanDerWaalsContact OE1-CG 3.28Å; E71-Q78 WeakPolarHBondContact OE1-CG 3.47Å; E71-Q78 PolarHBondContact OE1-NE2 2.59Å; E71-Q78 PolarHBondContact OE2-NE2 3.47Å; Q78-P87 HydrophobicContact CB-CG 4.29Å; Q78-P87 WeakPolarHBondContact O-CD 3.49Å; Q78-I198 HydrophobicContact CB-CG2 3.79Å; Q78-I198 HydrophobicContact CG-CG2 4.15Å; Q78-Y200 HydrophobicContact CB-CE1 4.47Å; Q78-Y200 HydrophobicContact CG-CD1 4.31Å; Q78-Y200 HydrophobicContact CG-CE1 3.51Å
79	V	87.7	Confident	85.9	Confident	8 Å²	8	66.6 Å²	66.6	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.1	-179.4	-157.1	0	0	0	0	110.2	V77 Q83 R85 T199 Q201	V77-V79 HydrophobicContact CG1-CG2 3.99Å; V79-Q83 VanDerWaalsContact CG1-CA 3.42Å; V79-R85 VanDerWaalsContact CG1-O 3.3Å; V79-R85 WeakPolarHBondContact CG1-O 3.48Å; V79-T199 PolarHBondContact N-O 3.04Å; V79-T199 PolarHBondContact O-N 3.36Å; V79-Q201 HydrophobicContact CG2-CB 3.75Å
80	D	85.4	Confident	85.7	Confident	29 Å²	29	68.1 Å²	68.1	16%	0.155	34%	0.344	C	S	.	.			trans	-63.6	166.2	173.8	-157.5	43.9	0	0	0	111.1	S82 Q83 R85 R91	D80-S82 PolarHBondContact O-N 3.25Å; D80-Q83 WeakPolarHBondContact O-CA 3.39Å; D80-Q83 PolarHBondContact O-N 3.07Å; D80-R85 PolarHBondContact N-O 3.05Å; D80-R91 WeakPolarHBondContact OD1-CD 3.34Å; D80-R91 IonicContact OD1-CZ 3.52Å; D80-R91 IonicContact OD1-NE 3.45Å; D80-R91 PolarHBondContact OD1-NE 2.85Å; D80-R91 IonicContact OD1-NH1 3.99Å; D80-R91 PolarHBondContact OD1-NH1 3.41Å; D80-R91 IonicContact OD1-NH2 3.62Å
81	P	81.9	Confident	85.5	Confident	69 Å²	69	72.3 Å²	72.3	45%	0.448	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	178.7	-26.4	34.3	0	0	0	114.5	Q83 G197	P81-Q83 PolarHBondContact O-N 3.26Å; P81-G197 WeakPolarHBondContact CG-O 3.48Å
82	S	79.8	Confident	85.5	Confident	60 Å²	60	73.9 Å²	73.9	42%	0.42	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.6	173.5	58.2	0	0	0	0	114	D80 T84	D80-S82 PolarHBondContact O-N 3.25Å; S82-T84 WeakPolarHBondContact O-CG2 3.45Å; S82-T84 PolarHBondContact O-N 2.99Å; S82-T84 PolarHBondContact O-OG1 3.42Å; S82-T84 VanDerWaalsContact O-OG1 3.08Å
83	Q	78.8	Confident	85.5	Confident	118 Å²	118	69.1 Å²	69.1	55%	0.551	35%	0.349	S	S	*	.	S	Bend	trans	54.4	16.1	177	-60.6	-175.3	5.5	0	0	115.8	V79 D80 P81	V79-Q83 VanDerWaalsContact CG1-CA 3.42Å; D80-Q83 WeakPolarHBondContact O-CA 3.39Å; D80-Q83 PolarHBondContact O-N 3.07Å; P81-Q83 PolarHBondContact O-N 3.26Å
84	T	74.7	Confident	85.6	Confident	112 Å²	112	65.9 Å²	65.9	69%	0.687	34%	0.344	S	S	*	.	S	Bend	trans	-127.1	-14.3	-171.5	47.1	0	0	0	0	113.6	S82	S82-T84 WeakPolarHBondContact O-CG2 3.45Å; S82-T84 PolarHBondContact O-N 2.99Å; S82-T84 PolarHBondContact O-OG1 3.42Å; S82-T84 VanDerWaalsContact O-OG1 3.08Å
85	R	80.8	Confident	85.8	Confident	192 Å²	192	65.3 Å²	65.3	73%	0.725	34%	0.34	S	S	*	.	S	Bend	trans	-137.2	151.7	-175.1	-62.5	-175.7	-176.5	-179.6	0.7	111.5	V79 D80	V79-R85 VanDerWaalsContact CG1-O 3.3Å; V79-R85 WeakPolarHBondContact CG1-O 3.48Å; D80-R85 PolarHBondContact N-O 3.05Å
86	V	82.3	Confident	86	Confident	86 Å²	86	62.5 Å²	62.5	52%	0.521	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-63.9	137.8	171.6	-155.4	0	0	0	0	108.3
87	P	86.5	Confident	86	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.013	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-54.2	149.6	-175.5	-28.4	33.1	0	0	0	113	Q78 R91 R92 I198	Q78-P87 HydrophobicContact CB-CG 4.29Å; Q78-P87 WeakPolarHBondContact O-CD 3.49Å; P87-R91 HydrophobicContact CB-CB 4.41Å; P87-R92 HydrophobicContact CB-CG 4.14Å; P87-R92 PolarHBondContact O-NE 2.8Å; P87-R92 PolarHBondContact O-NH2 3.27Å; P87-I198 HydrophobicContact CB-CD1 4.03Å; P87-I198 HydrophobicContact CB-CG1 4.1Å; P87-I198 HydrophobicContact CG-CB 4.48Å; P87-I198 HydrophobicContact CG-CD1 4.09Å; P87-I198 HydrophobicContact CG-CG1 3.9Å; P87-I198 HydrophobicContact CG-CG2 3.85Å
88	S	87.4	Confident	85.9	Confident	54 Å²	54	66.5 Å²	66.5	38%	0.378	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-62.1	155.9	174.7	61	0	0	0	0	112.3	L90 R91 R92	S88-L90 PolarHBondContact O-N 2.63Å; S88-R91 PolarHBondContact O-N 3.34Å; S88-R91 VanDerWaalsContact O-N 3.12Å; S88-R91 WeakPolarHBondContact OG-CG 3.4Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 2.91Å; S88-R92 VanDerWaalsContact O-N 3.11Å
89	W	86.6	Confident	85.7	Confident	193 Å²	193	68 Å²	68	73%	0.731	35%	0.35	S	S	*	.	H	α-helix	trans	-56.5	-37.3	179.1	81.6	-90	0	0	0	112.4	R92 G93	W89-R92 PolarHBondContact O-N 3.24Å; W89-G93 PolarHBondContact O-N 2.92Å
90	L	88	Confident	85.6	Confident	101 Å²	101	67.8 Å²	67.8	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-45.8	176.5	-72.1	174	0	0	0	112.2	S88 R92 G93 V94	S88-L90 PolarHBondContact O-N 2.63Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.35Å; L90-G93 PolarHBondContact O-N 3Å; L90-V94 WeakPolarHBondContact O-CG2 3.21Å; L90-V94 PolarHBondContact O-N 3.34Å
91	R	87.3	Confident	85.7	Confident	88 Å²	88	68.2 Å²	68.2	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-37.3	179.7	-69.8	176.5	-175.1	-125.3	15.2	111.7	D80 P87 S88 L95 T196 I198	D80-R91 WeakPolarHBondContact OD1-CD 3.34Å; D80-R91 IonicContact OD1-CZ 3.52Å; D80-R91 IonicContact OD1-NE 3.45Å; D80-R91 PolarHBondContact OD1-NE 2.85Å; D80-R91 IonicContact OD1-NH1 3.99Å; D80-R91 PolarHBondContact OD1-NH1 3.41Å; D80-R91 IonicContact OD1-NH2 3.62Å; P87-R91 HydrophobicContact CB-CB 4.41Å; S88-R91 PolarHBondContact O-N 3.34Å; S88-R91 VanDerWaalsContact O-N 3.12Å; S88-R91 WeakPolarHBondContact OG-CG 3.4Å; R91-L95 VanDerWaalsContact O-CB 3.32Å; R91-L95 WeakPolarHBondContact O-CB 3.37Å; R91-L95 PolarHBondContact O-N 3.25Å; R91-T196 PolarHBondContact NH1-O 3.04Å; R91-T196 VanDerWaalsContact NH1-O 3.1Å; R91-T196 WeakPolarHBondContact O-CG2 3.31Å; R91-I198 HydrophobicContact CB-CD1 4.27Å
92	R	89.8	Confident	85.9	Confident	35 Å²	35	68.8 Å²	68.8	13%	0.132	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-43.2	173.4	-63.8	166.5	-176.9	179.5	15	111.2	T62 L63 P87 S88 W89 L90 L95 V96	T62-R92 HydrophobicContact CG2-CB 4.3Å; T62-R92 HydrophobicContact CG2-CG 4.39Å; T62-R92 VanDerWaalsContact O-CD 3.28Å; T62-R92 WeakPolarHBondContact O-CD 3.35Å; L63-R92 HydrophobicContact CD2-CB 4.17Å; P87-R92 HydrophobicContact CB-CG 4.14Å; P87-R92 PolarHBondContact O-NE 2.8Å; P87-R92 PolarHBondContact O-NH2 3.27Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 2.91Å; S88-R92 VanDerWaalsContact O-N 3.11Å; W89-R92 PolarHBondContact O-N 3.24Å; L90-R92 VanDerWaalsContact C-N 3.32Å; L90-R92 PolarHBondContact O-N 3.35Å; R92-L95 WeakPolarHBondContact O-CB 3.47Å; R92-L95 PolarHBondContact O-N 2.88Å; R92-V96 WeakPolarHBondContact O-CG2 3.2Å; R92-V96 PolarHBondContact O-N 2.83Å
93	G	90	Very high	86.1	Confident	20 Å²	20	69 Å²	69	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-54.4	-55.6	173.2	0	0	0	0	0	111.5	W89 L90 L95 V96 T97	W89-G93 PolarHBondContact O-N 2.92Å; L90-G93 PolarHBondContact O-N 3Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.31Å; G93-V96 PolarHBondContact O-N 3.01Å; G93-V96 VanDerWaalsContact O-N 3.17Å; G93-T97 WeakPolarHBondContact O-CB 3.46Å; G93-T97 PolarHBondContact O-N 3.36Å; G93-T97 PolarHBondContact O-OG1 2.85Å
94	V	90.8	Very high	86.4	Confident	80 Å²	80	65.8 Å²	65.8	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-58.3	-42.2	177.4	174.1	0	0	0	0	111.4	L90 V96 L98 T196	L90-V94 WeakPolarHBondContact O-CG2 3.21Å; L90-V94 PolarHBondContact O-N 3.34Å; V94-V96 PolarHBondContact O-N 3.23Å; V94-L98 WeakPolarHBondContact O-CB 3.22Å; V94-L98 PolarHBondContact O-N 2.92Å; V94-T196 HydrophobicContact CB-CG2 4.01Å; V94-T196 HydrophobicContact CG1-CG2 3.7Å
95	L	89.7	Confident	86.8	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-50	176.2	171.3	62.4	0	0	0	111.3	T62 R91 R92 G93 L98 H99 A192 K193 T196 I198	T62-L95 HydrophobicContact CG2-CD2 4.05Å; R91-L95 VanDerWaalsContact O-CB 3.32Å; R91-L95 WeakPolarHBondContact O-CB 3.37Å; R91-L95 PolarHBondContact O-N 3.25Å; R92-L95 WeakPolarHBondContact O-CB 3.47Å; R92-L95 PolarHBondContact O-N 2.88Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.31Å; L95-L98 PolarHBondContact O-N 3.47Å; L95-H99 WeakPolarHBondContact O-CB 3.49Å; L95-H99 PolarHBondContact O-N 3.15Å; L95-A192 HydrophobicContact CD1-CB 3.61Å; L95-K193 HydrophobicContact CD1-CB 4.44Å; L95-K193 HydrophobicContact CD1-CG 3.46Å; L95-K193 VanDerWaalsContact CD1-CG 3.46Å; L95-K193 HydrophobicContact CD2-CG 4.34Å; L95-T196 HydrophobicContact CB-CG2 4.17Å; L95-I198 HydrophobicContact CB-CD1 4.24Å; L95-I198 HydrophobicContact CD2-CD1 3.85Å
96	V	91.1	Very high	86.8	Confident	7 Å²	7	57.8 Å²	57.8	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-43.8	-177.8	175	0	0	0	0	111.4	F58 T62 L63 R92 G93 V94 L98 H99 A100	F58-V96 HydrophobicContact CB-CB 4.38Å; F58-V96 HydrophobicContact CB-CG1 3.73Å; F58-V96 HydrophobicContact CB-CG2 3.72Å; F58-V96 HydrophobicContact CG-CG2 4.35Å; T62-V96 HydrophobicContact CG2-CG2 4.19Å; L63-V96 HydrophobicContact CD1-CG1 4.39Å; L63-V96 HydrophobicContact CD2-CB 4.04Å; L63-V96 HydrophobicContact CD2-CG2 3.71Å; L63-V96 HydrophobicContact CG-CB 4.38Å; L63-V96 HydrophobicContact CG-CG2 3.95Å; R92-V96 WeakPolarHBondContact O-CG2 3.2Å; R92-V96 PolarHBondContact O-N 2.83Å; G93-V96 PolarHBondContact O-N 3.01Å; G93-V96 VanDerWaalsContact O-N 3.17Å; V94-V96 PolarHBondContact O-N 3.23Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.9Å; V96-H99 PolarHBondContact O-N 2.89Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.06Å
97	T	89.1	Confident	86.8	Confident	79 Å²	79	57.2 Å²	57.2	49%	0.485	30%	0.296	S	S	.	.	I	π-helix	trans	-60	-44.9	175.9	-55.2	0	0	0	0	111	G93 H99 V101 L102	G93-T97 WeakPolarHBondContact O-CB 3.46Å; G93-T97 PolarHBondContact O-N 3.36Å; G93-T97 PolarHBondContact O-OG1 2.85Å; T97-H99 VanDerWaalsContact C-N 3.34Å; T97-H99 PolarHBondContact O-N 3.24Å; T97-V101 HydrophobicContact CG2-CB 4.11Å; T97-V101 HydrophobicContact CG2-CG2 4.44Å; T97-V101 CarbonylContact O-C 3.54Å; T97-V101 WeakPolarHBondContact O-CA 3.28Å; T97-V101 VanDerWaalsContact O-CB 3.25Å; T97-V101 WeakPolarHBondContact O-CB 3.19Å; T97-V101 PolarHBondContact O-N 3.46Å; T97-L102 PolarHBondContact O-N 2.96Å
98	L	87	Confident	86.5	Confident	43 Å²	43	58.9 Å²	58.9	23%	0.225	30%	0.303	C	S	.	.	I	π-helix	trans	-72.6	-29	-177.4	-172.4	63	0	0	0	112.9	V94 L95 V96 L102 A192 L195	V94-L98 WeakPolarHBondContact O-CB 3.22Å; V94-L98 PolarHBondContact O-N 2.92Å; L95-L98 PolarHBondContact O-N 3.47Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.9Å; L98-L102 HydrophobicContact CD1-CB 4.19Å; L98-L102 HydrophobicContact CD1-CD2 3.33Å; L98-L102 HydrophobicContact CD1-CG 4.27Å; L98-L102 HydrophobicContact CG-CD2 4.45Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-A192 HydrophobicContact CB-CB 3.84Å; L98-A192 VanDerWaalsContact CD2-CA 3.42Å; L98-A192 HydrophobicContact CD2-CB 3.67Å; L98-A192 HydrophobicContact CG-CB 3.73Å; L98-L195 HydrophobicContact CD2-CB 4Å; L98-L195 HydrophobicContact CD2-CD1 3.48Å; L98-L195 VanDerWaalsContact CD2-CD1 3.48Å; L98-L195 HydrophobicContact CD2-CG 4.32Å
99	H	85.8	Confident	86.1	Confident	43 Å²	43	59 Å²	59	20%	0.199	30%	0.301	C	S	.	.	I	π-helix	trans	-86.7	-41.8	-179.5	-171	75.7	0	0	0	113.3	F58 L95 V96 T97 P103 H190 A192	F58-H99 AromaticContact CE2-CD2 3.54Å; F58-H99 AromaticContact CZ-CD2 3.64Å; F58-H99 AromaticContact CZ-NE2 3.89Å; L95-H99 WeakPolarHBondContact O-CB 3.49Å; L95-H99 PolarHBondContact O-N 3.15Å; V96-H99 PolarHBondContact O-N 2.89Å; T97-H99 VanDerWaalsContact C-N 3.34Å; T97-H99 PolarHBondContact O-N 3.24Å; H99-P103 WeakPolarHBondContact O-CG 3.48Å; H99-H190 AromaticContact CE1-CE1 3.48Å; H99-H190 PolarHBondContact CE1-CE1 3.01Å; H99-H190 VanDerWaalsContact CE1-CE1 3.48Å; H99-H190 AromaticContact CE1-CG 3.88Å; H99-H190 AromaticContact CE1-ND1 3.49Å; H99-H190 PolarHBondContact CE1-ND1 2.86Å; H99-H190 AromaticContact CE1-NE2 3.86Å; H99-H190 AromaticContact ND1-CG 3.93Å; H99-H190 AromaticContact ND1-ND1 3.86Å; H99-A192 HydrophobicContact CB-CB 4.17Å
100	A	85.4	Confident	85.6	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.033	27%	0.27	C	S	.	.	I	π-helix	trans	-97.9	-44.2	-176.5	0	0	0	0	0	113	L51 D54 V55 V96	L51-A100 VanDerWaalsContact CD1-O 3.32Å; L51-A100 WeakPolarHBondContact CD1-O 3.42Å; D54-A100 HydrophobicContact CB-CB 4.22Å; V55-A100 HydrophobicContact CG2-CB 4.28Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.06Å
101	V	86.8	Confident	85	Confident	38 Å²	38	48.9 Å²	48.9	23%	0.23	26%	0.262	C	S	.	.	I	π-helix	trans	-87.8	-39.8	-169.7	-174.7	0	0	0	0	112	L51 V55 T97 Y104 L105	L51-V101 HydrophobicContact CD1-CG2 4.33Å; V55-V101 HydrophobicContact CG2-CG2 4.33Å; T97-V101 HydrophobicContact CG2-CB 4.11Å; T97-V101 HydrophobicContact CG2-CG2 4.44Å; T97-V101 CarbonylContact O-C 3.54Å; T97-V101 WeakPolarHBondContact O-CA 3.28Å; T97-V101 VanDerWaalsContact O-CB 3.25Å; T97-V101 WeakPolarHBondContact O-CB 3.19Å; T97-V101 PolarHBondContact O-N 3.46Å; V101-Y104 PolarHBondContact O-N 3.09Å; V101-L105 HydrophobicContact CG1-CD1 3.76Å; V101-L105 HydrophobicContact CG1-CG 3.93Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.47Å
102	L	86	Confident	84.4	Confident	80 Å²	80	45.2 Å²	45.2	42%	0.419	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-51.1	179.5	-177.4	67.2	0	0	0	114.1	T97 L98 Y104 L105 L106	T97-L102 PolarHBondContact O-N 2.96Å; L98-L102 HydrophobicContact CD1-CB 4.19Å; L98-L102 HydrophobicContact CD1-CD2 3.33Å; L98-L102 HydrophobicContact CD1-CG 4.27Å; L98-L102 HydrophobicContact CG-CD2 4.45Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.25Å; L102-L105 PolarHBondContact O-N 3.01Å; L102-L106 WeakPolarHBondContact O-CB 3.21Å; L102-L106 PolarHBondContact O-N 3.38Å
103	P	83.8	Confident	83.7	Confident	65 Å²	65	45.2 Å²	45.2	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-37.6	-178.1	23.3	-33.3	0	0	0	111.8	H99 L106 D107	H99-P103 WeakPolarHBondContact O-CG 3.48Å; P103-L106 PolarHBondContact O-N 2.93Å; P103-D107 PolarHBondContact O-N 2.79Å; P103-D107 VanDerWaalsContact O-N 3.07Å
104	Y	85.4	Confident	83.1	Confident	50 Å²	50	46.4 Å²	46.4	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-49.5	174.7	170	-88.4	0	0	0	111.9	K47 E48 L51 V101 L102 L106 D107 K108	K47-Y104 HydrophobicContact CB-CE2 4.17Å; E48-Y104 PolarHBondContact OE1-OH 3.08Å; E48-Y104 WeakPolarHBondContact OE2-CE2 3.41Å; E48-Y104 PolarHBondContact OE2-OH 3.02Å; L51-Y104 HydrophobicContact CB-CD2 4.29Å; L51-Y104 HydrophobicContact CD1-CG 4.4Å; L51-Y104 HydrophobicContact CD2-CD1 3.78Å; L51-Y104 HydrophobicContact CD2-CD2 4.06Å; L51-Y104 HydrophobicContact CD2-CE1 4.03Å; L51-Y104 HydrophobicContact CD2-CE2 4.26Å; L51-Y104 HydrophobicContact CD2-CG 3.82Å; V101-Y104 PolarHBondContact O-N 3.09Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.25Å; Y104-L106 VanDerWaalsContact C-N 3.3Å; Y104-L106 PolarHBondContact O-N 3.39Å; Y104-D107 PolarHBondContact O-N 3.4Å; Y104-K108 HydrophobicContact CD1-CG 4.2Å; Y104-K108 HydrophobicContact CD2-CG 4.28Å; Y104-K108 HydrophobicContact CE1-CG 3.74Å; Y104-K108 HydrophobicContact CE2-CD 4.25Å; Y104-K108 VanDerWaalsContact CE2-CE 3.43Å; Y104-K108 HydrophobicContact CE2-CG 3.86Å; Y104-K108 HydrophobicContact CG-CG 4.42Å; Y104-K108 VanDerWaalsContact CZ-CE 3.47Å; Y104-K108 VanDerWaalsContact O-CB 3.3Å; Y104-K108 WeakPolarHBondContact O-CB 3.27Å; Y104-K108 WeakPolarHBondContact O-CG 3.45Å; Y104-K108 PolarHBondContact O-N 2.93Å; Y104-K108 WeakPolarHBondContact OH-CE 3.38Å; Y104-K108 PolarHBondContact OH-NZ 3.21Å
105	L	82.9	Confident	82.3	Confident	87 Å²	87	47.3 Å²	47.3	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-41.6	179.3	-72.1	178	0	0	0	111.4	V101 L102 K108 V109	V101-L105 HydrophobicContact CG1-CD1 3.76Å; V101-L105 HydrophobicContact CG1-CG 3.93Å; V101-L105 WeakPolarHBondContact O-CG 3.36Å; V101-L105 PolarHBondContact O-N 3.47Å; L102-L105 PolarHBondContact O-N 3.01Å; L105-K108 PolarHBondContact O-N 3.46Å; L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 WeakPolarHBondContact O-CG2 3.21Å; L105-V109 PolarHBondContact O-N 3.24Å
106	L	82.2	Confident	81.4	Confident	49 Å²	49	48 Å²	48	26%	0.257	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-46.1	-179.6	-162.1	82.3	0	0	0	111.4	L102 P103 Y104 L110 L171	L102-L106 WeakPolarHBondContact O-CB 3.21Å; L102-L106 PolarHBondContact O-N 3.38Å; P103-L106 PolarHBondContact O-N 2.93Å; Y104-L106 VanDerWaalsContact C-N 3.3Å; Y104-L106 PolarHBondContact O-N 3.39Å; L106-L110 HydrophobicContact CD1-CD1 3.71Å; L106-L110 HydrophobicContact CG-CD1 4.01Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 PolarHBondContact O-N 3.25Å; L106-L171 HydrophobicContact CD2-CD2 3.06Å; L106-L171 HydrophobicContact CG-CD2 4.43Å
107	D	80.5	Confident	80.1	Confident	75 Å²	75	47.9 Å²	47.9	40%	0.401	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-42.8	175.3	-84.9	-3.8	0	0	0	111.8	K47 P103 Y104 V109 L111	K47-D107 IonicContact NZ-OD2 2.78Å; P103-D107 PolarHBondContact O-N 2.79Å; P103-D107 VanDerWaalsContact O-N 3.07Å; Y104-D107 PolarHBondContact O-N 3.4Å; D107-V109 VanDerWaalsContact C-N 3.35Å; D107-V109 PolarHBondContact O-N 3.13Å; D107-L111 HydrophobicContact CB-CD1 4.35Å; D107-L111 VanDerWaalsContact O-CB 3.27Å; D107-L111 WeakPolarHBondContact O-CB 3.32Å; D107-L111 WeakPolarHBondContact O-CD1 3.41Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 3.21Å
108	K	80.5	Confident	79.2	Confident	37 Å²	37	49.8 Å²	49.8	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-31.3	-177.9	-77.1	-79.9	-179.4	154.9	0	113.7	E48 Y104 L105 P112	E48-K108 VanDerWaalsContact OE1-CE 3.31Å; E48-K108 WeakPolarHBondContact OE1-CE 3.49Å; E48-K108 IonicContact OE1-NZ 2.85Å; E48-K108 PolarHBondContact OE1-NZ 3.01Å; Y104-K108 HydrophobicContact CD1-CG 4.2Å; Y104-K108 HydrophobicContact CD2-CG 4.28Å; Y104-K108 HydrophobicContact CE1-CG 3.74Å; Y104-K108 HydrophobicContact CE2-CD 4.25Å; Y104-K108 VanDerWaalsContact CE2-CE 3.43Å; Y104-K108 HydrophobicContact CE2-CG 3.86Å; Y104-K108 HydrophobicContact CG-CG 4.42Å; Y104-K108 VanDerWaalsContact CZ-CE 3.47Å; Y104-K108 VanDerWaalsContact O-CB 3.3Å; Y104-K108 WeakPolarHBondContact O-CB 3.27Å; Y104-K108 WeakPolarHBondContact O-CG 3.45Å; Y104-K108 PolarHBondContact O-N 2.93Å; Y104-K108 WeakPolarHBondContact OH-CE 3.38Å; Y104-K108 PolarHBondContact OH-NZ 3.21Å; L105-K108 PolarHBondContact O-N 3.46Å; K108-P112 WeakPolarHBondContact O-CD 3.27Å; K108-P112 WeakPolarHBondContact O-CG 3.48Å
109	V	79.6	Confident	78	Confident	56 Å²	56	50.3 Å²	50.3	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-93.7	-47	-178.9	176.6	0	0	0	0	111.5	L105 D107 P112 L113	L105-V109 WeakPolarHBondContact O-CB 3.37Å; L105-V109 WeakPolarHBondContact O-CG2 3.21Å; L105-V109 PolarHBondContact O-N 3.24Å; D107-V109 VanDerWaalsContact C-N 3.35Å; D107-V109 PolarHBondContact O-N 3.13Å; V109-P112 WeakPolarHBondContact O-CD 3.34Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 PolarHBondContact O-N 3.23Å
110	L	76.8	Confident	76.5	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-72.4	-34.1	-175.3	-91.8	77.3	0	0	0	113.5	L106 E114 L167 R168	L106-L110 HydrophobicContact CD1-CD1 3.71Å; L106-L110 HydrophobicContact CG-CD1 4.01Å; L106-L110 WeakPolarHBondContact O-CB 3.35Å; L106-L110 PolarHBondContact O-N 3.25Å; L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.06Å; L110-L167 HydrophobicContact CD1-CD2 4.43Å; L110-L167 HydrophobicContact CD2-CD2 4.36Å; L110-R168 VanDerWaalsContact CB-NH2 3.27Å; L110-R168 HydrophobicContact CD2-CG 3.29Å
111	L	75.6	Confident	75	Confident	68 Å²	68	56.3 Å²	56.3	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-50	-178.3	-75.1	164.8	0	0	0	111.6	D107 L113 E114 Q115 R168	D107-L111 HydrophobicContact CB-CD1 4.35Å; D107-L111 VanDerWaalsContact O-CB 3.27Å; D107-L111 WeakPolarHBondContact O-CB 3.32Å; D107-L111 WeakPolarHBondContact O-CD1 3.41Å; D107-L111 WeakPolarHBondContact O-CG 3.43Å; D107-L111 PolarHBondContact O-N 3.21Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 2.99Å; L111-E114 PolarHBondContact O-N 2.96Å; L111-Q115 VanDerWaalsContact O-CG 3.29Å; L111-Q115 WeakPolarHBondContact O-CG 3.47Å; L111-Q115 PolarHBondContact O-N 3.15Å; L111-Q115 VanDerWaalsContact O-N 3.14Å; L111-R168 VanDerWaalsContact CA-NH2 3.34Å
112	P	73.3	Confident	73	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.071	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-35	176.5	-22	36.1	0	0	0	112.7	K108 V109 Q115 E116	K108-P112 WeakPolarHBondContact O-CD 3.27Å; K108-P112 WeakPolarHBondContact O-CG 3.48Å; V109-P112 WeakPolarHBondContact O-CD 3.34Å; P112-Q115 PolarHBondContact O-N 3.14Å; P112-E116 WeakPolarHBondContact O-CB 3.17Å; P112-E116 VanDerWaalsContact O-CG 3.31Å; P112-E116 WeakPolarHBondContact O-CG 3.35Å; P112-E116 PolarHBondContact O-N 2.98Å
113	L	75.4	Confident	70.9	Confident	34 Å²	34	61.8 Å²	61.8	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-50	176.1	-174.8	68.6	0	0	0	110.7	V109 L111 Q115 E116 L117 V145 T149	V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 PolarHBondContact O-N 3.23Å; L111-L113 VanDerWaalsContact C-N 3.33Å; L111-L113 PolarHBondContact O-N 2.99Å; L113-Q115 PolarHBondContact O-N 2.92Å; L113-E116 PolarHBondContact O-N 2.94Å; L113-L117 HydrophobicContact CD1-CD1 3.34Å; L113-L117 HydrophobicContact CG-CD1 3.7Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 WeakPolarHBondContact O-CD1 3.36Å; L113-L117 PolarHBondContact O-N 2.94Å; L113-V145 HydrophobicContact CB-CG1 4.47Å; L113-V145 HydrophobicContact CD1-CG1 3.82Å; L113-T149 HydrophobicContact CD1-CG2 4.2Å
114	E	77	Confident	68.8	Low	46 Å²	46	62 Å²	62	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-41.5	178.4	-173.1	170.6	174	0	0	112.5	L110 L111 L117 Q118 L161 R168	L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.06Å; L111-E114 PolarHBondContact O-N 2.96Å; E114-L117 PolarHBondContact O-N 3.31Å; E114-Q118 WeakPolarHBondContact O-CB 3.31Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.32Å; E114-Q118 PolarHBondContact O-N 3.28Å; E114-Q118 PolarHBondContact OE1-NE2 2.94Å; E114-Q118 VanDerWaalsContact OE1-NE2 3.14Å; E114-L161 HydrophobicContact CG-CD2 4.47Å; E114-R168 IonicContact OE2-CZ 3.4Å; E114-R168 IonicContact OE2-NH1 3.81Å; E114-R168 PolarHBondContact OE2-NH1 2.86Å
115	Q	73.9	Confident	66.2	Low	99 Å²	99	70.1 Å²	70.1	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-46.3	178.3	-72.7	174.5	-8.9	0	0	113	L111 P112 L113 Q118 A119	L111-Q115 VanDerWaalsContact O-CG 3.29Å; L111-Q115 WeakPolarHBondContact O-CG 3.47Å; L111-Q115 PolarHBondContact O-N 3.15Å; L111-Q115 VanDerWaalsContact O-N 3.14Å; P112-Q115 PolarHBondContact O-N 3.14Å; L113-Q115 PolarHBondContact O-N 2.92Å; Q115-Q118 PolarHBondContact O-N 2.83Å; Q115-A119 PolarHBondContact O-N 3.38Å
116	E	70.7	Confident	64.1	Low	23 Å²	23	72 Å²	72	11%	0.107	40%	0.4	C	S	.	.	H	α-helix	trans	-72.9	-29.3	-179.9	-64.9	-74.6	156.4	0	0	111.5	P112 L113 R142 R146 R157	P112-E116 WeakPolarHBondContact O-CB 3.17Å; P112-E116 VanDerWaalsContact O-CG 3.31Å; P112-E116 WeakPolarHBondContact O-CG 3.35Å; P112-E116 PolarHBondContact O-N 2.98Å; L113-E116 PolarHBondContact O-N 2.94Å; E116-R142 IonicContact OE1-CZ 3.41Å; E116-R142 IonicContact OE1-NH1 2.8Å; E116-R142 PolarHBondContact OE1-NH1 3.48Å; E116-R146 IonicContact OE1-NH2 3.34Å; E116-R146 PolarHBondContact OE1-NH2 3.45Å; E116-R146 IonicContact OE2-CZ 3.54Å; E116-R146 IonicContact OE2-NE 3.79Å; E116-R146 PolarHBondContact OE2-NE 3.39Å; E116-R146 IonicContact OE2-NH2 2.71Å; E116-R146 PolarHBondContact OE2-NH2 2.96Å; E116-R157 PolarHBondContact O-NH2 3.45Å
117	L	65.3	Low	61.6	Low	4 Å²	4	74.9 Å²	74.9	2%	0.021	43%	0.425	C	S	.	.	H	α-helix	trans	-76.6	-19.7	172.6	-83.4	93.9	0	0	0	113.8	L113 E114 T149 R157 L160 L161	L113-L117 HydrophobicContact CD1-CD1 3.34Å; L113-L117 HydrophobicContact CG-CD1 3.7Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 WeakPolarHBondContact O-CD1 3.36Å; L113-L117 PolarHBondContact O-N 2.94Å; E114-L117 PolarHBondContact O-N 3.31Å; L117-T149 HydrophobicContact CD1-CG2 3.68Å; L117-T149 HydrophobicContact CG-CG2 4.42Å; L117-R157 HydrophobicContact CB-CG 4.26Å; L117-R157 HydrophobicContact CD2-CB 4.38Å; L117-R157 HydrophobicContact CD2-CG 3.59Å; L117-R157 VanDerWaalsContact CD2-O 3.24Å; L117-R157 WeakPolarHBondContact CD2-O 3.05Å; L117-R157 HydrophobicContact CG-CG 3.79Å; L117-R157 PolarHBondContact O-NE 3.34Å; L117-R157 PolarHBondContact O-NH2 2.76Å; L117-L160 HydrophobicContact CD2-CB 3.65Å; L117-L161 HydrophobicContact CB-CD1 4.03Å; L117-L161 HydrophobicContact CB-CD2 3.31Å; L117-L161 HydrophobicContact CB-CG 3.54Å; L117-L161 HydrophobicContact CD2-CD2 4.17Å; L117-L161 HydrophobicContact CD2-CG 3.7Å; L117-L161 HydrophobicContact CG-CD2 4.33Å; L117-L161 HydrophobicContact CG-CG 4.26Å
118	Q	68.4	Low	59.6	Low	120 Å²	120	80.8 Å²	80.8	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-85.7	-19.2	172.6	-74.4	173.4	4.9	0	0	113.4	E114 Q115 D120 L161	E114-Q118 WeakPolarHBondContact O-CB 3.31Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.32Å; E114-Q118 PolarHBondContact O-N 3.28Å; E114-Q118 PolarHBondContact OE1-NE2 2.94Å; E114-Q118 VanDerWaalsContact OE1-NE2 3.14Å; Q115-Q118 PolarHBondContact O-N 2.83Å; Q118-D120 PolarHBondContact O-N 3.07Å; Q118-L161 HydrophobicContact CG-CD2 4.35Å
119	A	62.8	Low	57.3	Low	54 Å²	54	82.6 Å²	82.6	45%	0.446	48%	0.48	S	S	.	.	S	Bend	trans	-71	93.8	178.1	0	0	0	0	0	110.9	Q115 R157	Q115-A119 PolarHBondContact O-N 3.38Å; A119-R157 PolarHBondContact O-NH2 3.29Å
120	D	53.8	Low	55.1	Low	92 Å²	92	84.8 Å²	84.8	49%	0.492	50%	0.497	S	S	.	.			trans	-56.7	121.3	-178.5	-161	-1.9	0	0	0	111.6	Q118 D122 S123	Q118-D120 PolarHBondContact O-N 3.07Å; D120-D122 PolarHBondContact O-N 3.42Å; D120-S123 PolarHBondContact O-N 3.47Å; D120-S123 VanDerWaalsContact O-N 3.12Å; D120-S123 PolarHBondContact O-OG 2.9Å
121	P	54.5	Low	53.2	Low	80 Å²	80	92.7 Å²	92.7	52%	0.519	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.1	179.4	22.5	-34	0	0	0	113	S123	P121-S123 VanDerWaalsContact C-N 3.32Å; P121-S123 PolarHBondContact O-N 3.24Å
122	D	43.8	Very low	51.4	Low	149 Å²	149	94.5 Å²	94.5	80%	0.797	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.8	179.7	-73.8	-23.6	0	0	0	114.3	D120 G124	D120-D122 PolarHBondContact O-N 3.42Å; D122-G124 PolarHBondContact O-N 3.35Å
123	S	42.9	Very low	49.7	Very low	85 Å²	85	99 Å²	99	59%	0.594	58%	0.582	S	S	*	*			trans	-81	49.2	170.2	66.9	0	0	0	0	112.1	D120 P121 R125	D120-S123 PolarHBondContact O-N 3.47Å; D120-S123 VanDerWaalsContact O-N 3.12Å; D120-S123 PolarHBondContact O-OG 2.9Å; P121-S123 VanDerWaalsContact C-N 3.32Å; P121-S123 PolarHBondContact O-N 3.24Å; S123-R125 PolarHBondContact O-N 2.58Å
124	G	40	Very low	48.1	Very low	69 Å²	69	100.9 Å²	100.9	71%	0.711	61%	0.609	S	S	*	*			trans	-74.3	46.6	-178.5	0	0	0	0	0	115.2	D122	D122-G124 PolarHBondContact O-N 3.35Å
125	R	30.9	Very low	46.5	Very low	221 Å²	221	100.2 Å²	100.2	83%	0.834	62%	0.615	S	S	*	*			trans	-131.1	118.4	161.5	-92.3	-174	173	171.7	-1.1	110.9	S123 S127	S123-R125 PolarHBondContact O-N 2.58Å; R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.03Å
126	P	38.5	Very low	45.2	Very low	125 Å²	125	105.6 Å²	105.6	81%	0.812	63%	0.631	S	S	*	*			trans	-74.1	90.5	174.7	30.5	-30.4	0	0	0	108.6	Q128	P126-Q128 VanDerWaalsContact C-N 3.27Å; P126-Q128 PolarHBondContact O-N 3.14Å
127	S	30.1	Very low	44	Very low	110 Å²	110	107.6 Å²	107.6	77%	0.769	66%	0.657	S	S	*	*			trans	-69.1	92.7	161.3	-58.1	0	0	0	0	107.4	R125 G129	R125-S127 VanDerWaalsContact C-N 3.33Å; R125-S127 PolarHBondContact O-N 3.03Å; S127-G129 PolarHBondContact O-N 3.4Å; S127-G129 VanDerWaalsContact O-N 3.09Å
128	Q	38	Very low	43.4	Very low	199 Å²	199	109.5 Å²	109.5	93%	0.93	67%	0.671	S	S	*	*	S	Bend	trans	-47	113.7	162	-70.7	176.3	9.1	0	0	107.9	P126	P126-Q128 VanDerWaalsContact C-N 3.27Å; P126-Q128 PolarHBondContact O-N 3.14Å
129	G	33.1	Very low	43	Very low	76 Å²	76	106.2 Å²	106.2	78%	0.784	66%	0.661	S	S	*	*			trans	167.4	-4.8	-179.4	0	0	0	0	0	117.5	S127	S127-G129 PolarHBondContact O-N 3.4Å; S127-G129 VanDerWaalsContact O-N 3.09Å
130	S	32.4	Very low	43.3	Very low	102 Å²	102	105.8 Å²	105.8	71%	0.713	66%	0.662	S	S	*	*			trans	-107.6	89.8	170	-151.1	0	0	0	0	110	V132	S130-V132 PolarHBondContact O-N 2.84Å; S130-V132 WeakPolarHBondContact OG-CG2 3.49Å
131	L	36	Very low	44	Very low	180 Å²	180	104.6 Å²	104.6	94%	0.942	66%	0.657	S	S	*	*			trans	-64.3	69.9	161.8	-80.1	153.4	0	0	0	109
132	V	37.8	Very low	44.8	Very low	105 Å²	105	104.8 Å²	104.8	64%	0.636	65%	0.648	S	S	*	*			trans	-93.3	118.9	161.9	-179.8	0	0	0	0	106	S130 G134	S130-V132 PolarHBondContact O-N 2.84Å; S130-V132 WeakPolarHBondContact OG-CG2 3.49Å; V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 3.47Å
133	P	39.3	Very low	46.1	Very low	107 Å²	107	104.4 Å²	104.4	70%	0.695	64%	0.635	S	S	*	*			trans	-62.8	98.4	174	-15.6	28.7	0	0	0	108.3	G135	P133-G135 VanDerWaalsContact C-N 3.26Å; P133-G135 PolarHBondContact O-N 3.47Å
134	G	42	Very low	47.7	Very low	73 Å²	73	107.2 Å²	107.2	75%	0.753	63%	0.633	S	S	*	*			trans	-66.2	88	172.3	0	0	0	0	0	109.2	V132 R136	V132-G134 VanDerWaalsContact C-N 3.33Å; V132-G134 PolarHBondContact O-N 3.47Å; G134-R136 PolarHBondContact O-N 2.83Å
135	G	43	Very low	49.4	Very low	32 Å²	32	104 Å²	104	33%	0.33	60%	0.6	S	S	.	*			trans	-53	120.9	175.6	0	0	0	0	0	110.6	P133 G137 C138	P133-G135 VanDerWaalsContact C-N 3.26Å; P133-G135 PolarHBondContact O-N 3.47Å; G135-G137 PolarHBondContact O-N 2.88Å; G135-C138 PolarHBondContact O-N 3.21Å
136	R	46.6	Very low	51.5	Low	212 Å²	212	100 Å²	100	80%	0.8	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-65.1	-11.9	-172.2	-145.6	176.7	-71.7	-130.8	0.8	113.3	G134 C138	G134-R136 PolarHBondContact O-N 2.83Å; R136-C138 VanDerWaalsContact C-N 3.3Å; R136-C138 PolarHBondContact O-N 3.42Å
137	G	45.3	Very low	53.4	Low	64 Å²	64	102.8 Å²	102.8	66%	0.66	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-69.9	-12.8	179	0	0	0	0	0	116.1	G135	G135-G137 PolarHBondContact O-N 2.88Å
138	C	52	Low	55.6	Low	45 Å²	45	102.3 Å²	102.3	30%	0.304	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-109.7	15.7	-178	-74.5	0	0	0	0	114.2	G135 R136 G140 R142	G135-C138 PolarHBondContact O-N 3.21Å; R136-C138 VanDerWaalsContact C-N 3.3Å; R136-C138 PolarHBondContact O-N 3.42Å; C138-G140 VanDerWaalsContact C-N 3.34Å; C138-G140 PolarHBondContact O-N 2.66Å; C138-R142 WeakPolarHBondContact O-CB 3.49Å; C138-R142 PolarHBondContact O-N 2.92Å
139	S	59.6	Low	57.2	Low	50 Å²	50	93.9 Å²	93.9	35%	0.35	53%	0.527	S	S	.	.	H	α-helix	trans	-69.8	-27.9	-173.2	78.1	0	0	0	0	113.9	R143	S139-R143 VanDerWaalsContact CB-NH2 3.26Å; S139-R143 WeakPolarHBondContact O-CB 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.42Å; S139-R143 PolarHBondContact O-N 2.93Å; S139-R143 PolarHBondContact O-NE 3.32Å; S139-R143 PolarHBondContact OG-NH2 3.1Å
140	G	69.5	Low	59	Low	46 Å²	46	94.2 Å²	94.2	47%	0.474	52%	0.522	S	S	.	.	H	α-helix	trans	-77.2	-56.9	-178.9	0	0	0	0	0	112.6	C138 R142 R143 W144	C138-G140 VanDerWaalsContact C-N 3.34Å; C138-G140 PolarHBondContact O-N 2.66Å; G140-R142 PolarHBondContact O-N 2.99Å; G140-R143 PolarHBondContact O-N 3.5Å; G140-W144 WeakPolarHBondContact O-CB 3.45Å; G140-W144 PolarHBondContact O-N 3.25Å
141	V	69.8	Low	61.2	Low	66 Å²	66	94.7 Å²	94.7	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-43.7	179.1	178.5	0	0	0	0	111	R143 W144 V145	V141-R143 VanDerWaalsContact C-N 3.35Å; V141-R143 PolarHBondContact O-N 3.49Å; V141-W144 PolarHBondContact O-N 2.71Å; V141-V145 HydrophobicContact CG1-CG2 4.23Å; V141-V145 WeakPolarHBondContact O-CB 3.45Å; V141-V145 VanDerWaalsContact O-CG2 3.29Å; V141-V145 WeakPolarHBondContact O-CG2 3.47Å; V141-V145 PolarHBondContact O-N 2.94Å
142	R	69.7	Low	63.2	Low	84 Å²	84	88.7 Å²	88.7	32%	0.317	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-38.2	177	-170.7	179.5	-75.8	-93.9	2	112	E116 C138 G140 R146	E116-R142 IonicContact OE1-CZ 3.41Å; E116-R142 IonicContact OE1-NH1 2.8Å; E116-R142 PolarHBondContact OE1-NH1 3.48Å; C138-R142 WeakPolarHBondContact O-CB 3.49Å; C138-R142 PolarHBondContact O-N 2.92Å; G140-R142 PolarHBondContact O-N 2.99Å; R142-R146 WeakPolarHBondContact O-CB 3.29Å; R142-R146 PolarHBondContact O-N 3.31Å
143	R	72.3	Confident	65.3	Low	141 Å²	141	87.4 Å²	87.4	53%	0.532	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-41.2	172.9	-88.6	-178.1	-79.5	-150.9	1.2	112.5	S139 G140 V141 R146 R147	S139-R143 VanDerWaalsContact CB-NH2 3.26Å; S139-R143 WeakPolarHBondContact O-CB 3.4Å; S139-R143 VanDerWaalsContact O-CG 3.28Å; S139-R143 WeakPolarHBondContact O-CG 3.42Å; S139-R143 PolarHBondContact O-N 2.93Å; S139-R143 PolarHBondContact O-NE 3.32Å; S139-R143 PolarHBondContact OG-NH2 3.1Å; G140-R143 PolarHBondContact O-N 3.5Å; V141-R143 VanDerWaalsContact C-N 3.35Å; V141-R143 PolarHBondContact O-N 3.49Å; R143-R146 PolarHBondContact O-N 3.03Å; R143-R147 WeakPolarHBondContact O-CB 3.5Å; R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.35Å; R143-R147 PolarHBondContact O-N 2.84Å
144	W	76.9	Confident	67.1	Low	144 Å²	144	86.2 Å²	86.2	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-50.2	176.6	177.4	85.5	0	0	0	110.9	G140 V141 R146 R147 H148	G140-W144 WeakPolarHBondContact O-CB 3.45Å; G140-W144 PolarHBondContact O-N 3.25Å; V141-W144 PolarHBondContact O-N 2.71Å; W144-R146 VanDerWaalsContact C-N 3.35Å; W144-R146 PolarHBondContact O-N 3.33Å; W144-R147 PolarHBondContact O-N 3.48Å; W144-H148 AromaticContact CD1-CD2 3.69Å; W144-H148 AromaticContact CD1-NE2 3.67Å; W144-H148 AromaticContact CD2-CD2 3.73Å; W144-H148 AromaticContact CE2-CD2 3.27Å; W144-H148 AromaticContact CE2-NE2 3.5Å; W144-H148 AromaticContact CG-CD2 3.97Å; W144-H148 AromaticContact CZ2-CD2 3.65Å; W144-H148 AromaticContact CZ2-NE2 3.89Å; W144-H148 AromaticContact NE1-CD2 3.25Å; W144-H148 PolarHBondContact NE1-CD2 3.29Å; W144-H148 VanDerWaalsContact NE1-CD2 3.25Å; W144-H148 AromaticContact NE1-NE2 3.05Å; W144-H148 PolarHBondContact NE1-NE2 2.99Å; W144-H148 PolarHBondContact O-CD2 3.27Å; W144-H148 VanDerWaalsContact O-CD2 3.25Å; W144-H148 PolarHBondContact O-N 3.01Å
145	V	75.6	Confident	68.8	Low	2 Å²	2	90.5 Å²	90.5	1%	0.012	47%	0.467	C	S	.	.	H	α-helix	trans	-55.9	-50.7	174.4	171.4	0	0	0	0	109.8	L113 V141 R147 H148 T149	L113-V145 HydrophobicContact CB-CG1 4.47Å; L113-V145 HydrophobicContact CD1-CG1 3.82Å; V141-V145 HydrophobicContact CG1-CG2 4.23Å; V141-V145 WeakPolarHBondContact O-CB 3.45Å; V141-V145 VanDerWaalsContact O-CG2 3.29Å; V141-V145 WeakPolarHBondContact O-CG2 3.47Å; V141-V145 PolarHBondContact O-N 2.94Å; V145-R147 PolarHBondContact O-N 3.48Å; V145-H148 PolarHBondContact O-N 3.49Å; V145-T149 HydrophobicContact CG1-CG2 4.04Å; V145-T149 WeakPolarHBondContact O-CB 3.47Å; V145-T149 WeakPolarHBondContact O-CG2 3.33Å; V145-T149 PolarHBondContact O-N 3.02Å; V145-T149 PolarHBondContact O-OG1 2.88Å
146	R	74.7	Confident	70.5	Confident	138 Å²	138	93.4 Å²	93.4	52%	0.521	47%	0.472	S	S	.	.	H	α-helix	trans	-57.7	-44.9	179.5	179.5	174.8	-72.4	-128.9	-4.5	112.9	E116 R142 R143 W144 H148 T149 A150	E116-R146 IonicContact OE1-NH2 3.34Å; E116-R146 PolarHBondContact OE1-NH2 3.45Å; E116-R146 IonicContact OE2-CZ 3.54Å; E116-R146 IonicContact OE2-NE 3.79Å; E116-R146 PolarHBondContact OE2-NE 3.39Å; E116-R146 IonicContact OE2-NH2 2.71Å; E116-R146 PolarHBondContact OE2-NH2 2.96Å; R142-R146 WeakPolarHBondContact O-CB 3.29Å; R142-R146 PolarHBondContact O-N 3.31Å; R143-R146 PolarHBondContact O-N 3.03Å; W144-R146 VanDerWaalsContact C-N 3.35Å; W144-R146 PolarHBondContact O-N 3.33Å; R146-H148 VanDerWaalsContact C-N 3.34Å; R146-T149 WeakPolarHBondContact CA-OG1 3.41Å; R146-T149 PolarHBondContact O-N 3.36Å; R146-T149 PolarHBondContact O-OG1 3.3Å; R146-T149 VanDerWaalsContact O-OG1 3.07Å; R146-A150 VanDerWaalsContact O-CB 3.26Å; R146-A150 WeakPolarHBondContact O-CB 3.39Å; R146-A150 PolarHBondContact O-N 2.92Å
147	R	77.1	Confident	72	Confident	182 Å²	182	84.6 Å²	84.6	69%	0.687	44%	0.439	S	S	*	.	H	α-helix	trans	-61.1	-44.1	178.1	-77.7	175.8	-176.3	171.6	-0.2	111.3	R143 W144 V145	R143-R147 WeakPolarHBondContact O-CB 3.5Å; R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.35Å; R143-R147 PolarHBondContact O-N 2.84Å; W144-R147 PolarHBondContact O-N 3.48Å; V145-R147 PolarHBondContact O-N 3.48Å
148	H	76.8	Confident	73.5	Confident	100 Å²	100	88.7 Å²	88.7	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-74.9	-29.7	178.9	-76.9	-67.2	0	0	0	113.4	W144 V145 R146 T151 L152	W144-H148 AromaticContact CD1-CD2 3.69Å; W144-H148 AromaticContact CD1-NE2 3.67Å; W144-H148 AromaticContact CD2-CD2 3.73Å; W144-H148 AromaticContact CE2-CD2 3.27Å; W144-H148 AromaticContact CE2-NE2 3.5Å; W144-H148 AromaticContact CG-CD2 3.97Å; W144-H148 AromaticContact CZ2-CD2 3.65Å; W144-H148 AromaticContact CZ2-NE2 3.89Å; W144-H148 AromaticContact NE1-CD2 3.25Å; W144-H148 PolarHBondContact NE1-CD2 3.29Å; W144-H148 VanDerWaalsContact NE1-CD2 3.25Å; W144-H148 AromaticContact NE1-NE2 3.05Å; W144-H148 PolarHBondContact NE1-NE2 2.99Å; W144-H148 PolarHBondContact O-CD2 3.27Å; W144-H148 VanDerWaalsContact O-CD2 3.25Å; W144-H148 PolarHBondContact O-N 3.01Å; V145-H148 PolarHBondContact O-N 3.49Å; R146-H148 VanDerWaalsContact C-N 3.34Å; H148-T151 PolarHBondContact O-OG1 2.8Å; H148-L152 WeakPolarHBondContact O-CG 3.4Å
149	T	71.8	Confident	74.9	Confident	23 Å²	23	89 Å²	89	14%	0.141	44%	0.44	C	S	.	.	H	α-helix	trans	-77.6	-28.3	175.6	54.1	0	0	0	0	112.6	L113 L117 V145 R146 T151 L152	L113-T149 HydrophobicContact CD1-CG2 4.2Å; L117-T149 HydrophobicContact CD1-CG2 3.68Å; L117-T149 HydrophobicContact CG-CG2 4.42Å; V145-T149 HydrophobicContact CG1-CG2 4.04Å; V145-T149 WeakPolarHBondContact O-CB 3.47Å; V145-T149 WeakPolarHBondContact O-CG2 3.33Å; V145-T149 PolarHBondContact O-N 3.02Å; V145-T149 PolarHBondContact O-OG1 2.88Å; R146-T149 WeakPolarHBondContact CA-OG1 3.41Å; R146-T149 PolarHBondContact O-N 3.36Å; R146-T149 PolarHBondContact O-OG1 3.3Å; R146-T149 VanDerWaalsContact O-OG1 3.07Å; T149-T151 PolarHBondContact O-N 3.28Å; T149-L152 PolarHBondContact O-N 3.24Å
150	A	71.8	Confident	76	Confident	82 Å²	82	89.7 Å²	89.7	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-67.3	-23.9	178.2	0	0	0	0	0	113.1	R146	R146-A150 VanDerWaalsContact O-CB 3.26Å; R146-A150 WeakPolarHBondContact O-CB 3.39Å; R146-A150 PolarHBondContact O-N 2.92Å
151	T	78.6	Confident	76.5	Confident	112 Å²	112	89.7 Å²	89.7	69%	0.687	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1	178	54.5	0	0	0	0	113.7	H148 T149	H148-T151 PolarHBondContact O-OG1 2.8Å; T149-T151 PolarHBondContact O-N 3.28Å
152	L	78.3	Confident	76.9	Confident	55 Å²	55	94.4 Å²	94.4	29%	0.288	44%	0.439	S	S	.	.	S	Bend	trans	-96	142.6	-175	-67.3	172.9	0	0	0	112	H148 T149 Q156 L160	H148-L152 WeakPolarHBondContact O-CG 3.4Å; T149-L152 PolarHBondContact O-N 3.24Å; L152-Q156 HydrophobicContact CB-CB 4.31Å; L152-Q156 HydrophobicContact CD2-CB 4.27Å; L152-L160 HydrophobicContact CD1-CD1 3.42Å; L152-L160 VanDerWaalsContact CD1-CD1 3.42Å
153	T	81.1	Confident	77.6	Confident	77 Å²	77	93.1 Å²	93.1	47%	0.472	45%	0.447	S	S	.	.			trans	-69.2	154.4	173.4	59.5	0	0	0	0	111.8	Q155 Q156 R157	T153-Q155 PolarHBondContact O-N 3.38Å; T153-Q155 VanDerWaalsContact O-N 3.11Å; T153-Q156 WeakPolarHBondContact O-CB 3.36Å; T153-Q156 PolarHBondContact O-N 3.12Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.42Å; T153-Q156 VanDerWaalsContact OG1-CG 3.22Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.49Å; T153-Q156 PolarHBondContact OG1-N 2.83Å; T153-Q156 PolarHBondContact OG1-OE1 3.45Å; T153-R157 PolarHBondContact O-N 3.25Å
154	E	77.6	Confident	78.1	Confident	82 Å²	82	86.9 Å²	86.9	38%	0.383	43%	0.425	S	S	.	.	H	α-helix	trans	-55.2	-31.4	177.2	-82.7	-59	133.5	0	0	113.5	R157 R158	E154-R157 IonicContact OE1-NH1 3.84Å; E154-R158 VanDerWaalsContact O-CG 3.26Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 2.87Å
155	Q	76.9	Confident	78.4	Confident	163 Å²	163	85.9 Å²	85.9	76%	0.762	42%	0.424	S	S	*	.	H	α-helix	trans	-70.7	-44.1	174.7	-66	-173.5	-4.3	0	0	112.3	T153 R157 R158 A159	T153-Q155 PolarHBondContact O-N 3.38Å; T153-Q155 VanDerWaalsContact O-N 3.11Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; Q155-R158 PolarHBondContact O-N 2.98Å; Q155-A159 PolarHBondContact O-N 2.81Å
156	Q	79.8	Confident	78.8	Confident	93 Å²	93	90.4 Å²	90.4	44%	0.435	45%	0.452	S	S	.	.	H	α-helix	trans	-64.6	-39.4	176.6	-73.9	166.6	-30.6	0	0	111.4	L152 T153 A159 L160	L152-Q156 HydrophobicContact CB-CB 4.31Å; L152-Q156 HydrophobicContact CD2-CB 4.27Å; T153-Q156 WeakPolarHBondContact O-CB 3.36Å; T153-Q156 PolarHBondContact O-N 3.12Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.42Å; T153-Q156 VanDerWaalsContact OG1-CG 3.22Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.49Å; T153-Q156 PolarHBondContact OG1-N 2.83Å; T153-Q156 PolarHBondContact OG1-OE1 3.45Å; Q156-A159 WeakPolarHBondContact O-CB 3.35Å; Q156-A159 PolarHBondContact O-N 3.16Å; Q156-L160 WeakPolarHBondContact O-CB 3.49Å; Q156-L160 PolarHBondContact O-N 3.1Å
157	R	76.8	Confident	79.3	Confident	28 Å²	28	88.7 Å²	88.7	11%	0.106	45%	0.453	C	S	.	.	H	α-helix	trans	-59.4	-47.9	174.9	-165.8	177.9	-176.2	-141	1.4	111.7	E116 L117 A119 T153 E154 Q155 A159 L160 L161	E116-R157 PolarHBondContact O-NH2 3.45Å; L117-R157 HydrophobicContact CB-CG 4.26Å; L117-R157 HydrophobicContact CD2-CB 4.38Å; L117-R157 HydrophobicContact CD2-CG 3.59Å; L117-R157 VanDerWaalsContact CD2-O 3.24Å; L117-R157 WeakPolarHBondContact CD2-O 3.05Å; L117-R157 HydrophobicContact CG-CG 3.79Å; L117-R157 PolarHBondContact O-NE 3.34Å; L117-R157 PolarHBondContact O-NH2 2.76Å; A119-R157 PolarHBondContact O-NH2 3.29Å; T153-R157 PolarHBondContact O-N 3.25Å; E154-R157 IonicContact OE1-NH1 3.84Å; Q155-R157 VanDerWaalsContact C-N 3.34Å; R157-A159 VanDerWaalsContact C-N 3.29Å; R157-A159 PolarHBondContact O-N 2.97Å; R157-L160 PolarHBondContact O-N 3.23Å; R157-L161 PolarHBondContact O-N 3.24Å
158	R	76.2	Confident	79.7	Confident	149 Å²	149	83.1 Å²	83.1	56%	0.562	43%	0.432	S	S	*	.	H	α-helix	trans	-66.1	-28.7	176.1	-68.6	171.3	-168.7	-178.4	2	113.2	E154 Q155 R162	E154-R158 VanDerWaalsContact O-CG 3.26Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 2.87Å; Q155-R158 PolarHBondContact O-N 2.98Å; R158-R162 WeakPolarHBondContact O-CG 3.25Å; R158-R162 PolarHBondContact O-N 3.31Å; R158-R162 PolarHBondContact O-NE 2.96Å
159	A	81.6	Confident	80.1	Confident	52 Å²	52	81.1 Å²	81.1	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-73.3	-44.5	173.6	0	0	0	0	0	111.2	Q155 Q156 R157 R162 A163	Q155-A159 PolarHBondContact O-N 2.81Å; Q156-A159 WeakPolarHBondContact O-CB 3.35Å; Q156-A159 PolarHBondContact O-N 3.16Å; R157-A159 VanDerWaalsContact C-N 3.29Å; R157-A159 PolarHBondContact O-N 2.97Å; A159-R162 PolarHBondContact O-N 3.17Å; A159-A163 WeakPolarHBondContact O-CB 3.34Å; A159-A163 PolarHBondContact O-N 2.98Å
160	L	82.6	Confident	80.8	Confident	64 Å²	64	81.7 Å²	81.7	34%	0.335	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.2	-100.8	149.6	0	0	0	112.8	L117 L152 Q156 R157 R162 A163 A164	L117-L160 HydrophobicContact CD2-CB 3.65Å; L152-L160 HydrophobicContact CD1-CD1 3.42Å; L152-L160 VanDerWaalsContact CD1-CD1 3.42Å; Q156-L160 WeakPolarHBondContact O-CB 3.49Å; Q156-L160 PolarHBondContact O-N 3.1Å; R157-L160 PolarHBondContact O-N 3.23Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 3.34Å; L160-A163 PolarHBondContact O-N 2.86Å; L160-A164 WeakPolarHBondContact O-CB 3.36Å; L160-A164 PolarHBondContact O-N 3.17Å
161	L	79.8	Confident	81.6	Confident	46 Å²	46	81.1 Å²	81.1	24%	0.241	42%	0.418	C	S	.	.	H	α-helix	trans	-59.1	-46.3	172.9	-83.1	173.4	0	0	0	112.1	E114 L117 Q118 R157 A163 A164 F165	E114-L161 HydrophobicContact CG-CD2 4.47Å; L117-L161 HydrophobicContact CB-CD1 4.03Å; L117-L161 HydrophobicContact CB-CD2 3.31Å; L117-L161 HydrophobicContact CB-CG 3.54Å; L117-L161 HydrophobicContact CD2-CD2 4.17Å; L117-L161 HydrophobicContact CD2-CG 3.7Å; L117-L161 HydrophobicContact CG-CD2 4.33Å; L117-L161 HydrophobicContact CG-CG 4.26Å; Q118-L161 HydrophobicContact CG-CD2 4.35Å; R157-L161 PolarHBondContact O-N 3.24Å; L161-A163 VanDerWaalsContact C-N 3.34Å; L161-A164 PolarHBondContact O-N 2.88Å; L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 3.43Å
162	R	80.1	Confident	82	Confident	166 Å²	166	77.4 Å²	77.4	63%	0.626	40%	0.399	S	S	*	.	H	α-helix	trans	-62.4	-44.1	176.6	-79.9	-179	-88.5	168.5	-8.8	110.9	R158 A159 L160 F165 V166	R158-R162 WeakPolarHBondContact O-CG 3.25Å; R158-R162 PolarHBondContact O-N 3.31Å; R158-R162 PolarHBondContact O-NE 2.96Å; A159-R162 PolarHBondContact O-N 3.17Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 3.34Å; R162-F165 PolarHBondContact O-N 2.94Å; R162-V166 WeakPolarHBondContact O-CB 3.42Å; R162-V166 WeakPolarHBondContact O-CG2 3.2Å; R162-V166 PolarHBondContact O-N 3.47Å
163	A	83.8	Confident	82.5	Confident	57 Å²	57	76.2 Å²	76.2	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-44	176.9	0	0	0	0	0	112	A159 L160 L161 V166 L167	A159-A163 WeakPolarHBondContact O-CB 3.34Å; A159-A163 PolarHBondContact O-N 2.98Å; L160-A163 PolarHBondContact O-N 2.86Å; L161-A163 VanDerWaalsContact C-N 3.34Å; A163-V166 PolarHBondContact O-N 2.95Å; A163-L167 WeakPolarHBondContact O-CB 3.45Å; A163-L167 PolarHBondContact O-N 3.34Å
164	A	83.1	Confident	82.9	Confident	9 Å²	9	76.7 Å²	76.7	7%	0.074	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-43.9	177.9	0	0	0	0	0	112	L160 L161 L167 R168	L160-A164 WeakPolarHBondContact O-CB 3.36Å; L160-A164 PolarHBondContact O-N 3.17Å; L161-A164 PolarHBondContact O-N 2.88Å; A164-L167 PolarHBondContact O-N 2.95Å; A164-R168 WeakPolarHBondContact O-CG 3.31Å; A164-R168 PolarHBondContact O-N 3.46Å
165	F	81.6	Confident	83.4	Confident	123 Å²	123	78.3 Å²	78.3	54%	0.539	40%	0.402	S	S	.	.	H	α-helix	trans	-62.2	-46.9	175	179.4	-95	0	0	0	111.9	L161 R162 L167 R168 Q169	L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 3.43Å; R162-F165 PolarHBondContact O-N 2.94Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 3.48Å; F165-R168 PolarHBondContact O-N 2.99Å; F165-Q169 WeakPolarHBondContact O-CB 3.4Å; F165-Q169 PolarHBondContact O-N 3.17Å
166	V	84.8	Confident	84	Confident	98 Å²	98	77.3 Å²	77.3	59%	0.594	39%	0.391	S	S	*	.	H	α-helix	trans	-62	-40.4	176.3	170.1	0	0	0	0	110.9	R162 A163 G170	R162-V166 WeakPolarHBondContact O-CB 3.42Å; R162-V166 WeakPolarHBondContact O-CG2 3.2Å; R162-V166 PolarHBondContact O-N 3.47Å; A163-V166 PolarHBondContact O-N 2.95Å; V166-G170 WeakPolarHBondContact O-CA 3.32Å; V166-G170 PolarHBondContact O-N 2.94Å
167	L	86	Confident	84.5	Confident	101 Å²	101	77.2 Å²	77.2	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-45.4	178	-178.2	65.2	0	0	0	111.7	L110 A163 A164 F165 G170 L171	L110-L167 HydrophobicContact CD1-CD2 4.43Å; L110-L167 HydrophobicContact CD2-CD2 4.36Å; A163-L167 WeakPolarHBondContact O-CB 3.45Å; A163-L167 PolarHBondContact O-N 3.34Å; A164-L167 PolarHBondContact O-N 2.95Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 3.48Å; L167-G170 PolarHBondContact O-N 2.99Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 3.46Å
168	R	84.3	Confident	85.1	Confident	66 Å²	66	76.4 Å²	76.4	25%	0.249	39%	0.39	C	S	.	.	H	α-helix	trans	-61	-51.4	175.8	-75.7	-170.8	157.5	169.4	-6.4	112.1	L110 L111 E114 A164 F165 G170 L171 A172	L110-R168 VanDerWaalsContact CB-NH2 3.27Å; L110-R168 HydrophobicContact CD2-CG 3.29Å; L111-R168 VanDerWaalsContact CA-NH2 3.34Å; E114-R168 IonicContact OE2-CZ 3.4Å; E114-R168 IonicContact OE2-NH1 3.81Å; E114-R168 PolarHBondContact OE2-NH1 2.86Å; A164-R168 WeakPolarHBondContact O-CG 3.31Å; A164-R168 PolarHBondContact O-N 3.46Å; F165-R168 PolarHBondContact O-N 2.99Å; R168-G170 VanDerWaalsContact C-N 3.3Å; R168-G170 PolarHBondContact O-N 3.35Å; R168-L171 PolarHBondContact O-N 3.37Å; R168-A172 WeakPolarHBondContact O-CB 3.2Å; R168-A172 PolarHBondContact O-N 3.46Å
169	Q	85.3	Confident	85.7	Confident	57 Å²	57	71.5 Å²	71.5	27%	0.266	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-40.3	-178.8	-172.1	59.3	64.5	0	0	110.7	F165 A172 C173	F165-Q169 WeakPolarHBondContact O-CB 3.4Å; F165-Q169 PolarHBondContact O-N 3.17Å; Q169-A172 PolarHBondContact O-N 2.74Å; Q169-C173 WeakPolarHBondContact O-CB 3.25Å; Q169-C173 PolarHBondContact O-N 3.45Å; Q169-C173 PolarHBondContact O-SG 3.45Å
170	G	87.6	Confident	86	Confident	36 Å²	36	69 Å²	69	37%	0.371	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-46.7	175.6	0	0	0	0	0	112.1	V166 L167 R168 C173 L174	V166-G170 WeakPolarHBondContact O-CA 3.32Å; V166-G170 PolarHBondContact O-N 2.94Å; L167-G170 PolarHBondContact O-N 2.99Å; R168-G170 VanDerWaalsContact C-N 3.3Å; R168-G170 PolarHBondContact O-N 3.35Å; G170-C173 PolarHBondContact O-N 2.86Å; G170-L174 WeakPolarHBondContact O-CB 3.37Å; G170-L174 PolarHBondContact O-N 2.99Å
171	L	88.1	Confident	86.3	Confident	69 Å²	69	71.2 Å²	71.2	36%	0.361	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-43.6	177.4	-174.6	70.1	0	0	0	112	L106 L167 R168 C173 L174 Q175	L106-L171 HydrophobicContact CD2-CD2 3.06Å; L106-L171 HydrophobicContact CG-CD2 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.35Å; L167-L171 PolarHBondContact O-N 3.46Å; R168-L171 PolarHBondContact O-N 3.37Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.86Å; L171-L174 PolarHBondContact O-N 2.97Å; L171-Q175 WeakPolarHBondContact O-CB 3.25Å; L171-Q175 PolarHBondContact O-N 3.3Å
172	A	86.7	Confident	86.7	Confident	35 Å²	35	69 Å²	69	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-42.7	176.6	0	0	0	0	0	111.7	R168 Q169 R176	R168-A172 WeakPolarHBondContact O-CB 3.2Å; R168-A172 PolarHBondContact O-N 3.46Å; Q169-A172 PolarHBondContact O-N 2.74Å; A172-R176 WeakPolarHBondContact O-CG 3.09Å; A172-R176 PolarHBondContact O-N 2.77Å; A172-R176 VanDerWaalsContact O-N 3.09Å
173	C	89.1	Confident	87	Confident	29 Å²	29	63.1 Å²	63.1	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-43.2	175	-72.9	0	0	0	0	111.9	Q169 G170 L171 Q175 R176 L177	Q169-C173 WeakPolarHBondContact O-CB 3.25Å; Q169-C173 PolarHBondContact O-N 3.45Å; Q169-C173 PolarHBondContact O-SG 3.45Å; G170-C173 PolarHBondContact O-N 2.86Å; L171-C173 VanDerWaalsContact C-N 3.33Å; L171-C173 PolarHBondContact O-N 2.86Å; C173-Q175 VanDerWaalsContact C-N 3.34Å; C173-Q175 PolarHBondContact O-N 3.35Å; C173-R176 PolarHBondContact O-N 2.71Å; C173-L177 VanDerWaalsContact O-CB 3.3Å; C173-L177 WeakPolarHBondContact O-CB 3.43Å; C173-L177 PolarHBondContact O-N 3.3Å
174	L	89.6	Confident	87	Confident	88 Å²	88	62.3 Å²	62.3	46%	0.461	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-39.9	179.2	-177.2	146.6	0	0	0	111.5	G170 L171 L177 H178 L191	G170-L174 WeakPolarHBondContact O-CB 3.37Å; G170-L174 PolarHBondContact O-N 2.99Å; L171-L174 PolarHBondContact O-N 2.97Å; L174-L177 PolarHBondContact O-N 2.85Å; L174-H178 VanDerWaalsContact O-CB 3.31Å; L174-H178 WeakPolarHBondContact O-CB 3.32Å; L174-H178 PolarHBondContact O-N 2.99Å; L174-L191 HydrophobicContact CD2-CD2 3.19Å
175	Q	88.1	Confident	86.9	Confident	116 Å²	116	66.7 Å²	66.7	54%	0.542	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-46.8	173.7	-174.5	-179.7	-1.5	0	0	111.7	L171 C173 L177 H178 V179 L191	L171-Q175 WeakPolarHBondContact O-CB 3.25Å; L171-Q175 PolarHBondContact O-N 3.3Å; C173-Q175 VanDerWaalsContact C-N 3.34Å; C173-Q175 PolarHBondContact O-N 3.35Å; Q175-L177 PolarHBondContact O-N 2.96Å; Q175-H178 PolarHBondContact O-N 2.95Å; Q175-V179 WeakPolarHBondContact O-CG2 3.45Å; Q175-V179 PolarHBondContact O-N 3.41Å; Q175-L191 HydrophobicContact CG-CD1 4.45Å
176	R	88.8	Confident	86.5	Confident	141 Å²	141	61.3 Å²	61.3	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177.2	-71.6	178.7	-174.6	-170.7	2.1	112	A172 C173 V179 A180 L248	A172-R176 WeakPolarHBondContact O-CG 3.09Å; A172-R176 PolarHBondContact O-N 2.77Å; A172-R176 VanDerWaalsContact O-N 3.09Å; C173-R176 PolarHBondContact O-N 2.71Å; R176-V179 PolarHBondContact O-N 2.87Å; R176-A180 WeakPolarHBondContact O-CB 3.5Å; R176-A180 PolarHBondContact O-N 3.25Å; R176-L248 HydrophobicContact CB-CD1 3.93Å; R176-L248 HydrophobicContact CB-CD2 4.28Å
177	L	89.9	Confident	85.9	Confident	92 Å²	92	60.1 Å²	60.1	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.8	-176.5	139.3	0	0	0	111.3	C173 L174 Q175 A180 W181 L248	C173-L177 VanDerWaalsContact O-CB 3.3Å; C173-L177 WeakPolarHBondContact O-CB 3.43Å; C173-L177 PolarHBondContact O-N 3.3Å; L174-L177 PolarHBondContact O-N 2.85Å; Q175-L177 PolarHBondContact O-N 2.96Å; L177-A180 PolarHBondContact O-N 3.01Å; L177-W181 VanDerWaalsContact O-CB 3.32Å; L177-W181 WeakPolarHBondContact O-CB 3.42Å; L177-W181 PolarHBondContact O-N 3.35Å; L177-L248 HydrophobicContact CB-CD2 3.76Å; L177-L248 HydrophobicContact CD1-CD2 4.41Å
178	H	90.2	Very high	85.5	Confident	10 Å²	10	57 Å²	57	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-45.4	177.1	174.3	82.2	0	0	0	112.4	L174 Q175 W181 F182 F188 Y189 L191 R194	L174-H178 VanDerWaalsContact O-CB 3.31Å; L174-H178 WeakPolarHBondContact O-CB 3.32Å; L174-H178 PolarHBondContact O-N 2.99Å; Q175-H178 PolarHBondContact O-N 2.95Å; H178-W181 WeakPolarHBondContact O-CB 3.22Å; H178-W181 PolarHBondContact O-N 2.93Å; H178-F182 PolarHBondContact O-N 2.94Å; H178-F188 PolarHBondContact NE2-O 3.11Å; H178-Y189 PolarHBondContact NE2-O 2.87Å; H178-L191 HydrophobicContact CB-CD1 3.72Å; H178-L191 HydrophobicContact CB-CD2 4.39Å; H178-L191 HydrophobicContact CB-CG 4.01Å; H178-L191 WeakPolarHBondContact CD2-CD1 3.48Å; H178-L191 VanDerWaalsContact CG-CD1 3.48Å; H178-L191 PolarHBondContact NE2-N 3.2Å; H178-L191 VanDerWaalsContact NE2-N 3.15Å; H178-R194 PolarHBondContact CE1-NE 3.43Å; H178-R194 VanDerWaalsContact CE1-NE 3.34Å; H178-R194 PolarHBondContact ND1-NE 2.95Å
179	V	87.8	Confident	85.2	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.279	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-43.2	177.8	172	0	0	0	0	110.9	Q175 R176 W181 F182 Y183	Q175-V179 WeakPolarHBondContact O-CG2 3.45Å; Q175-V179 PolarHBondContact O-N 3.41Å; R176-V179 PolarHBondContact O-N 2.87Å; V179-W181 VanDerWaalsContact C-N 3.35Å; V179-W181 PolarHBondContact O-N 3.17Å; V179-F182 WeakPolarHBondContact O-CB 3.47Å; V179-F182 PolarHBondContact O-N 3.01Å; V179-Y183 HydrophobicContact CG1-CD2 4.05Å; V179-Y183 HydrophobicContact CG1-CE2 3.58Å; V179-Y183 WeakPolarHBondContact O-CD2 3.49Å; V179-Y183 PolarHBondContact O-N 3.43Å; V179-Y183 VanDerWaalsContact O-N 3.16Å
180	A	88.2	Confident	85.1	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-41.3	177.1	0	0	0	0	0	111.7	R176 L177 F182 Y183 I184 S244 L245	R176-A180 WeakPolarHBondContact O-CB 3.5Å; R176-A180 PolarHBondContact O-N 3.25Å; L177-A180 PolarHBondContact O-N 3.01Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 3.37Å; A180-Y183 PolarHBondContact O-N 3.38Å; A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.81Å; A180-S244 WeakPolarHBondContact CB-OG 3.44Å; A180-L245 HydrophobicContact CB-CD2 3.56Å; A180-L245 HydrophobicContact CB-CG 3.68Å
181	W	89.1	Confident	84.8	Confident	109 Å²	109	57 Å²	57	41%	0.413	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-39.3	173.2	-176.3	-76	0	0	0	112.6	L177 H178 V179 Y183 I184 H185	L177-W181 VanDerWaalsContact O-CB 3.32Å; L177-W181 WeakPolarHBondContact O-CB 3.42Å; L177-W181 PolarHBondContact O-N 3.35Å; H178-W181 WeakPolarHBondContact O-CB 3.22Å; H178-W181 PolarHBondContact O-N 2.93Å; V179-W181 VanDerWaalsContact C-N 3.35Å; V179-W181 PolarHBondContact O-N 3.17Å; W181-Y183 VanDerWaalsContact C-N 3.31Å; W181-Y183 PolarHBondContact O-N 3.11Å; W181-I184 PolarHBondContact O-N 2.81Å; W181-H185 AromaticContact CD1-CD2 3.85Å; W181-H185 AromaticContact CD2-CD2 3.57Å; W181-H185 AromaticContact CE2-CD2 3.15Å; W181-H185 AromaticContact CE2-CG 3.88Å; W181-H185 AromaticContact CE2-NE2 3.63Å; W181-H185 AromaticContact CH2-CD2 3.81Å; W181-H185 AromaticContact CH2-NE2 3.34Å; W181-H185 VanDerWaalsContact CH2-NE2 3.34Å; W181-H185 WeakPolarHBondContact CH2-NE2 3.43Å; W181-H185 AromaticContact CZ2-CD2 3.31Å; W181-H185 WeakPolarHBondContact CZ2-CD2 3.28Å; W181-H185 AromaticContact CZ2-CE1 3.93Å; W181-H185 AromaticContact CZ2-NE2 3.27Å; W181-H185 VanDerWaalsContact CZ2-NE2 3.27Å; W181-H185 WeakPolarHBondContact CZ2-NE2 3.18Å; W181-H185 AromaticContact CZ3-NE2 3.78Å; W181-H185 AromaticContact NE1-CD2 3.36Å; W181-H185 PolarHBondContact NE1-CD2 2.85Å; W181-H185 AromaticContact NE1-CG 3.71Å; W181-H185 PolarHBondContact O-N 3.21Å
182	F	89.1	Confident	84.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-44.1	175.3	165.2	-103.1	0	0	0	111.5	P8 V11 I12 H178 V179 A180 I184 H185 G186 F188 Y189	P8-F182 HydrophobicContact CB-CZ 4.21Å; V11-F182 HydrophobicContact CB-CZ 4.29Å; V11-F182 HydrophobicContact CG1-CE2 4.34Å; V11-F182 HydrophobicContact CG1-CZ 4.26Å; I12-F182 HydrophobicContact CD1-CE1 3.92Å; I12-F182 HydrophobicContact CD1-CZ 4.46Å; I12-F182 HydrophobicContact CG1-CE1 3.75Å; I12-F182 HydrophobicContact CG1-CZ 4.06Å; H178-F182 PolarHBondContact O-N 2.94Å; V179-F182 WeakPolarHBondContact O-CB 3.47Å; V179-F182 PolarHBondContact O-N 3.01Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 3.37Å; F182-I184 PolarHBondContact O-N 3.07Å; F182-H185 PolarHBondContact O-N 3.29Å; F182-G186 WeakPolarHBondContact O-CA 3.24Å; F182-G186 PolarHBondContact O-N 2.87Å; F182-F188 WeakPolarHBondContact CB-O 3.46Å; F182-F188 WeakPolarHBondContact CD2-O 3.48Å; F182-Y189 AromaticContact CD1-CD2 3.58Å; F182-Y189 HydrophobicContact CD1-CD2 3.58Å; F182-Y189 HydrophobicContact CD1-CE2 4.38Å; F182-Y189 AromaticContact CE1-CD2 3.44Å; F182-Y189 HydrophobicContact CE1-CD2 3.44Å; F182-Y189 VanDerWaalsContact CE1-CD2 3.44Å; F182-Y189 HydrophobicContact CE1-CE2 4.24Å; F182-Y189 HydrophobicContact CE1-CG 4.24Å; F182-Y189 HydrophobicContact CE2-CD2 4.48Å; F182-Y189 HydrophobicContact CG-CD2 4.15Å; F182-Y189 AromaticContact CZ-CD2 3.92Å; F182-Y189 HydrophobicContact CZ-CD2 3.92Å; F182-Y189 HydrophobicContact CZ-CG 4.28Å
183	Y	86	Confident	84.4	Confident	43 Å²	43	53.2 Å²	53.2	17%	0.169	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-27.3	178.3	-76.1	-58.4	0	0	0	113.8	I12 V179 A180 W181 Y237 L240	I12-Y183 HydrophobicContact CD1-CD1 4.45Å; I12-Y183 HydrophobicContact CD1-CE1 3.67Å; V179-Y183 HydrophobicContact CG1-CD2 4.05Å; V179-Y183 HydrophobicContact CG1-CE2 3.58Å; V179-Y183 WeakPolarHBondContact O-CD2 3.49Å; V179-Y183 PolarHBondContact O-N 3.43Å; V179-Y183 VanDerWaalsContact O-N 3.16Å; A180-Y183 PolarHBondContact O-N 3.38Å; W181-Y183 VanDerWaalsContact C-N 3.31Å; W181-Y183 PolarHBondContact O-N 3.11Å; Y183-Y237 WeakPolarHBondContact CB-O 3.46Å; Y183-Y237 AromaticContact CD1-CD1 3.62Å; Y183-Y237 HydrophobicContact CD1-CD1 3.62Å; Y183-Y237 HydrophobicContact CD1-CE1 4.42Å; Y183-Y237 HydrophobicContact CD1-CG 4.45Å; Y183-Y237 AromaticContact CE1-CD1 3.67Å; Y183-Y237 HydrophobicContact CE1-CD1 3.67Å; Y183-Y237 HydrophobicContact CE1-CE1 4.03Å; Y183-Y237 CarbonylContact O-C 3.48Å; Y183-L240 HydrophobicContact CD1-CD2 4.31Å; Y183-L240 HydrophobicContact CE1-CD2 3.94Å; Y183-L240 HydrophobicContact CE2-CD2 4.24Å
184	I	83.4	Confident	84.1	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.205	26%	0.262	C	S	.	.	H	α-helix	trans	-81.7	-47.2	179.6	-62.4	169.1	0	0	0	111.5	A180 W181 F182 L245	A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.81Å; W181-I184 PolarHBondContact O-N 2.81Å; F182-I184 PolarHBondContact O-N 3.07Å; I184-L245 HydrophobicContact CD1-CD1 3.44Å; I184-L245 VanDerWaalsContact CD1-CD1 3.44Å; I184-L245 HydrophobicContact CD1-CG 4.32Å
185	H	80.8	Confident	83.8	Confident	100 Å²	100	58.2 Å²	58.2	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-102.9	-21	-170.8	-70.1	-79.2	0	0	0	114.5	W181 F182 V187	W181-H185 AromaticContact CD1-CD2 3.85Å; W181-H185 AromaticContact CD2-CD2 3.57Å; W181-H185 AromaticContact CE2-CD2 3.15Å; W181-H185 AromaticContact CE2-CG 3.88Å; W181-H185 AromaticContact CE2-NE2 3.63Å; W181-H185 AromaticContact CH2-CD2 3.81Å; W181-H185 AromaticContact CH2-NE2 3.34Å; W181-H185 VanDerWaalsContact CH2-NE2 3.34Å; W181-H185 WeakPolarHBondContact CH2-NE2 3.43Å; W181-H185 AromaticContact CZ2-CD2 3.31Å; W181-H185 WeakPolarHBondContact CZ2-CD2 3.28Å; W181-H185 AromaticContact CZ2-CE1 3.93Å; W181-H185 AromaticContact CZ2-NE2 3.27Å; W181-H185 VanDerWaalsContact CZ2-NE2 3.27Å; W181-H185 WeakPolarHBondContact CZ2-NE2 3.18Å; W181-H185 AromaticContact CZ3-NE2 3.78Å; W181-H185 AromaticContact NE1-CD2 3.36Å; W181-H185 PolarHBondContact NE1-CD2 2.85Å; W181-H185 AromaticContact NE1-CG 3.71Å; W181-H185 PolarHBondContact O-N 3.21Å; F182-H185 PolarHBondContact O-N 3.29Å; H185-V187 VanDerWaalsContact C-N 3.28Å; H185-V187 HydrophobicContact CB-CG2 4.4Å; H185-V187 WeakPolarHBondContact O-CG2 3.44Å; H185-V187 PolarHBondContact O-N 3.47Å
186	G	73.6	Confident	83.6	Confident	10 Å²	10	53.2 Å²	53.2	10%	0.103	25%	0.25	C	C	.	.			trans	74.9	1.6	171.1	0	0	0	0	0	117.3	F182	F182-G186 WeakPolarHBondContact O-CA 3.24Å; F182-G186 PolarHBondContact O-N 2.87Å
187	V	71.8	Confident	83.2	Confident	73 Å²	73	47.4 Å²	47.4	44%	0.442	23%	0.233	S	C	.	.	S	Bend	trans	-85	-43.2	-166.7	-166.8	0	0	0	0	113.6	H185 T199	H185-V187 VanDerWaalsContact C-N 3.28Å; H185-V187 HydrophobicContact CB-CG2 4.4Å; H185-V187 WeakPolarHBondContact O-CG2 3.44Å; H185-V187 PolarHBondContact O-N 3.47Å; V187-T199 HydrophobicContact CG1-CG2 4.37Å
188	F	78.6	Confident	82.9	Confident	35 Å²	35	43 Å²	43	15%	0.154	21%	0.21	C	C	.	.			trans	-139.1	115.4	-172.7	-57.6	-75.9	0	0	0	111.5	H178 F182 K193 R194 I198 T199	H178-F188 PolarHBondContact NE2-O 3.11Å; F182-F188 WeakPolarHBondContact CB-O 3.46Å; F182-F188 WeakPolarHBondContact CD2-O 3.48Å; F188-K193 HydrophobicContact CD1-CB 4.18Å; F188-R194 HydrophobicContact CB-CB 3.97Å; F188-R194 HydrophobicContact CD2-CB 4.19Å; F188-R194 HydrophobicContact CD2-CG 4.27Å; F188-R194 HydrophobicContact CG-CB 4Å; F188-I198 WeakPolarHBondContact CE1-O 3.35Å; F188-T199 HydrophobicContact CE1-CG2 3.72Å; F188-T199 HydrophobicContact CZ-CG2 3.82Å
189	Y	78.5	Confident	82.7	Confident	62 Å²	62	43.8 Å²	43.8	24%	0.243	22%	0.216	C	C	.	.	S	Bend	trans	-81.1	-36.3	179	179.4	-116.6	0	0	0	113.6	A15 H178 F182	A15-Y189 HydrophobicContact CB-CD1 3.77Å; A15-Y189 HydrophobicContact CB-CE1 3.62Å; H178-Y189 PolarHBondContact NE2-O 2.87Å; F182-Y189 AromaticContact CD1-CD2 3.58Å; F182-Y189 HydrophobicContact CD1-CD2 3.58Å; F182-Y189 HydrophobicContact CD1-CE2 4.38Å; F182-Y189 AromaticContact CE1-CD2 3.44Å; F182-Y189 HydrophobicContact CE1-CD2 3.44Å; F182-Y189 VanDerWaalsContact CE1-CD2 3.44Å; F182-Y189 HydrophobicContact CE1-CE2 4.24Å; F182-Y189 HydrophobicContact CE1-CG 4.24Å; F182-Y189 HydrophobicContact CE2-CD2 4.48Å; F182-Y189 HydrophobicContact CG-CD2 4.15Å; F182-Y189 AromaticContact CZ-CD2 3.92Å; F182-Y189 HydrophobicContact CZ-CD2 3.92Å; F182-Y189 HydrophobicContact CZ-CG 4.28Å
190	H	82.9	Confident	82.6	Confident	43 Å²	43	42.7 Å²	42.7	20%	0.199	21%	0.207	C	C	.	.	S	Bend	trans	-105.6	140.9	176.8	-62	-63.5	0	0	0	110.8	H99 A192 K193 R194	H99-H190 AromaticContact CE1-CE1 3.48Å; H99-H190 PolarHBondContact CE1-CE1 3.01Å; H99-H190 VanDerWaalsContact CE1-CE1 3.48Å; H99-H190 AromaticContact CE1-CG 3.88Å; H99-H190 AromaticContact CE1-ND1 3.49Å; H99-H190 PolarHBondContact CE1-ND1 2.86Å; H99-H190 AromaticContact CE1-NE2 3.86Å; H99-H190 AromaticContact ND1-CG 3.93Å; H99-H190 AromaticContact ND1-ND1 3.86Å; H190-A192 PolarHBondContact O-N 3.34Å; H190-K193 HydrophobicContact CB-CD 4.47Å; H190-K193 HydrophobicContact CB-CG 4.33Å; H190-K193 PolarHBondContact O-N 3.47Å; H190-K193 VanDerWaalsContact O-N 3.07Å; H190-R194 PolarHBondContact O-N 2.95Å
191	L	80.8	Confident	82.5	Confident	55 Å²	55	43.8 Å²	43.8	29%	0.288	21%	0.212	S	C	.	.	H	α-helix	trans	-56.5	-36.7	174	-82.8	99.9	0	0	0	112	L174 Q175 H178 K193 R194 L195	L174-L191 HydrophobicContact CD2-CD2 3.19Å; Q175-L191 HydrophobicContact CG-CD1 4.45Å; H178-L191 HydrophobicContact CB-CD1 3.72Å; H178-L191 HydrophobicContact CB-CD2 4.39Å; H178-L191 HydrophobicContact CB-CG 4.01Å; H178-L191 WeakPolarHBondContact CD2-CD1 3.48Å; H178-L191 VanDerWaalsContact CG-CD1 3.48Å; H178-L191 PolarHBondContact NE2-N 3.2Å; H178-L191 VanDerWaalsContact NE2-N 3.15Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.22Å; L191-R194 WeakPolarHBondContact O-CB 3.35Å; L191-R194 PolarHBondContact O-N 3.22Å; L191-R194 VanDerWaalsContact O-N 3.15Å; L191-L195 PolarHBondContact O-N 2.86Å
192	A	82.3	Confident	82.2	Confident	3 Å²	3	39 Å²	39	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-39	179.1	0	0	0	0	0	112.7	L95 L98 H99 H190 L195 T196	L95-A192 HydrophobicContact CD1-CB 3.61Å; L98-A192 HydrophobicContact CB-CB 3.84Å; L98-A192 VanDerWaalsContact CD2-CA 3.42Å; L98-A192 HydrophobicContact CD2-CB 3.67Å; L98-A192 HydrophobicContact CG-CB 3.73Å; H99-A192 HydrophobicContact CB-CB 4.17Å; H190-A192 PolarHBondContact O-N 3.34Å; A192-L195 PolarHBondContact O-N 2.83Å; A192-T196 WeakPolarHBondContact O-CG2 3.46Å; A192-T196 PolarHBondContact O-N 3.25Å; A192-T196 VanDerWaalsContact O-N 3.07Å; A192-T196 PolarHBondContact O-OG1 3.45Å
193	K	83.5	Confident	81.7	Confident	21 Å²	21	43.9 Å²	43.9	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-71	-33.4	176.5	-65.5	179.8	179.5	163.4	0	112.4	L95 F188 H190 L191 T196 G197 I198 Y200	L95-K193 HydrophobicContact CD1-CB 4.44Å; L95-K193 HydrophobicContact CD1-CG 3.46Å; L95-K193 VanDerWaalsContact CD1-CG 3.46Å; L95-K193 HydrophobicContact CD2-CG 4.34Å; F188-K193 HydrophobicContact CD1-CB 4.18Å; H190-K193 HydrophobicContact CB-CD 4.47Å; H190-K193 HydrophobicContact CB-CG 4.33Å; H190-K193 PolarHBondContact O-N 3.47Å; H190-K193 VanDerWaalsContact O-N 3.07Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.22Å; K193-T196 WeakPolarHBondContact CA-OG1 3.43Å; K193-T196 PolarHBondContact O-OG1 2.84Å; K193-G197 WeakPolarHBondContact O-CA 3.48Å; K193-G197 PolarHBondContact O-N 3.33Å; K193-I198 PolarHBondContact O-N 3.32Å; K193-I198 VanDerWaalsContact O-N 3.17Å; K193-Y200 HydrophobicContact CD-CE2 3.85Å; K193-Y200 WeakPolarHBondContact CE-OH 3.49Å; K193-Y200 PolarHBondContact NZ-OH 3.27Å
194	R	83.1	Confident	80.9	Confident	92 Å²	92	48.9 Å²	48.9	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-41.4	173	179.1	177.2	-67.1	-109.7	-0.5	112	H178 F188 H190 L191	H178-R194 PolarHBondContact CE1-NE 3.43Å; H178-R194 VanDerWaalsContact CE1-NE 3.34Å; H178-R194 PolarHBondContact ND1-NE 2.95Å; F188-R194 HydrophobicContact CB-CB 3.97Å; F188-R194 HydrophobicContact CD2-CB 4.19Å; F188-R194 HydrophobicContact CD2-CG 4.27Å; F188-R194 HydrophobicContact CG-CB 4Å; H190-R194 PolarHBondContact O-N 2.95Å; L191-R194 WeakPolarHBondContact O-CB 3.35Å; L191-R194 PolarHBondContact O-N 3.22Å; L191-R194 VanDerWaalsContact O-N 3.15Å
195	L	83.3	Confident	79.6	Confident	130 Å²	130	52 Å²	52	68%	0.681	26%	0.263	S	S	*	.	H	α-helix	trans	-72.3	-32.8	-179.9	-72.9	172.4	0	0	0	112.4	L98 L191 A192	L98-L195 HydrophobicContact CD2-CB 4Å; L98-L195 HydrophobicContact CD2-CD1 3.48Å; L98-L195 VanDerWaalsContact CD2-CD1 3.48Å; L98-L195 HydrophobicContact CD2-CG 4.32Å; L191-L195 PolarHBondContact O-N 2.86Å; A192-L195 PolarHBondContact O-N 2.83Å
196	T	83.3	Confident	78	Confident	12 Å²	12	51.2 Å²	51.2	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-87.2	-12.7	176.5	57.8	0	0	0	0	114	R91 V94 L95 A192 K193 I198	R91-T196 PolarHBondContact NH1-O 3.04Å; R91-T196 VanDerWaalsContact NH1-O 3.1Å; R91-T196 WeakPolarHBondContact O-CG2 3.31Å; V94-T196 HydrophobicContact CB-CG2 4.01Å; V94-T196 HydrophobicContact CG1-CG2 3.7Å; L95-T196 HydrophobicContact CB-CG2 4.17Å; A192-T196 WeakPolarHBondContact O-CG2 3.46Å; A192-T196 PolarHBondContact O-N 3.25Å; A192-T196 VanDerWaalsContact O-N 3.07Å; A192-T196 PolarHBondContact O-OG1 3.45Å; K193-T196 WeakPolarHBondContact CA-OG1 3.43Å; K193-T196 PolarHBondContact O-OG1 2.84Å; T196-I198 VanDerWaalsContact C-N 3.26Å; T196-I198 PolarHBondContact O-N 2.91Å; T196-I198 WeakPolarHBondContact OG1-CD1 3.3Å; T196-I198 WeakPolarHBondContact OG1-CG1 3.37Å
197	G	81.5	Confident	76.9	Confident	18 Å²	18	55.9 Å²	55.9	19%	0.186	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	19.3	-177.9	0	0	0	0	0	114	P81 K193 T199	P81-G197 WeakPolarHBondContact CG-O 3.48Å; K193-G197 WeakPolarHBondContact O-CA 3.48Å; K193-G197 PolarHBondContact O-N 3.33Å; G197-T199 PolarHBondContact O-N 2.96Å
198	I	84.3	Confident	75.9	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.304	C	S	.	.			trans	-78.6	118.8	-179.1	-62.4	170.3	0	0	0	109.2	Q78 P87 R91 L95 F188 K193 T196	Q78-I198 HydrophobicContact CB-CG2 3.79Å; Q78-I198 HydrophobicContact CG-CG2 4.15Å; P87-I198 HydrophobicContact CB-CD1 4.03Å; P87-I198 HydrophobicContact CB-CG1 4.1Å; P87-I198 HydrophobicContact CG-CB 4.48Å; P87-I198 HydrophobicContact CG-CD1 4.09Å; P87-I198 HydrophobicContact CG-CG1 3.9Å; P87-I198 HydrophobicContact CG-CG2 3.85Å; R91-I198 HydrophobicContact CB-CD1 4.27Å; L95-I198 HydrophobicContact CB-CD1 4.24Å; L95-I198 HydrophobicContact CD2-CD1 3.85Å; F188-I198 WeakPolarHBondContact CE1-O 3.35Å; K193-I198 PolarHBondContact O-N 3.32Å; K193-I198 VanDerWaalsContact O-N 3.17Å; T196-I198 VanDerWaalsContact C-N 3.26Å; T196-I198 PolarHBondContact O-N 2.91Å; T196-I198 WeakPolarHBondContact OG1-CD1 3.3Å; T196-I198 WeakPolarHBondContact OG1-CG1 3.37Å
199	T	84.7	Confident	74.5	Confident	26 Å²	26	67.5 Å²	67.5	16%	0.16	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	158.6	-179	53.7	0	0	0	0	111.8	V79 V187 F188 G197	V79-T199 PolarHBondContact N-O 3.04Å; V79-T199 PolarHBondContact O-N 3.36Å; V187-T199 HydrophobicContact CG1-CG2 4.37Å; F188-T199 HydrophobicContact CE1-CG2 3.72Å; F188-T199 HydrophobicContact CZ-CG2 3.82Å; G197-T199 PolarHBondContact O-N 2.96Å
200	Y	86	Confident	73.2	Confident	22 Å²	22	68.4 Å²	68.4	9%	0.086	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.1	177	-79.2	-68.3	0	0	0	112.6	A6 V11 E71 I76 V77 Q78 K193	A6-Y200 PolarHBondContact N-O 2.92Å; A6-Y200 VanDerWaalsContact N-O 3.13Å; V11-Y200 HydrophobicContact CG1-CD2 4.21Å; V11-Y200 HydrophobicContact CG1-CE2 4.32Å; V11-Y200 HydrophobicContact CG2-CD2 4.09Å; V11-Y200 HydrophobicContact CG2-CG 4.48Å; E71-Y200 HydrophobicContact CG-CE1 3.79Å; E71-Y200 VanDerWaalsContact OE1-CE1 3.25Å; E71-Y200 WeakPolarHBondContact OE1-CE1 3.41Å; E71-Y200 PolarHBondContact OE1-OH 2.97Å; I76-Y200 HydrophobicContact CB-CD1 4.19Å; I76-Y200 HydrophobicContact CD1-CD1 3.73Å; I76-Y200 HydrophobicContact CD1-CE1 3.93Å; I76-Y200 HydrophobicContact CD1-CG 4.08Å; I76-Y200 HydrophobicContact CG1-CD1 4.01Å; I76-Y200 HydrophobicContact CG1-CE1 4.25Å; V77-Y200 WeakPolarHBondContact O-CA 3.31Å; V77-Y200 WeakPolarHBondContact O-CD1 3.16Å; Q78-Y200 HydrophobicContact CB-CE1 4.47Å; Q78-Y200 HydrophobicContact CG-CD1 4.31Å; Q78-Y200 HydrophobicContact CG-CE1 3.51Å; K193-Y200 HydrophobicContact CD-CE2 3.85Å; K193-Y200 WeakPolarHBondContact CE-OH 3.49Å; K193-Y200 PolarHBondContact NZ-OH 3.27Å
201	Q	86	Confident	71.7	Confident	25 Å²	25	72.8 Å²	72.8	12%	0.117	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	175.1	-161.4	164.3	46.1	0	0	109.9	P3 A4 I76 V77 V79	P3-Q201 HydrophobicContact CB-CG 3.67Å; P3-Q201 VanDerWaalsContact CD-NE2 3.32Å; P3-Q201 VanDerWaalsContact CG-CD 3.41Å; P3-Q201 HydrophobicContact CG-CG 4.34Å; P3-Q201 PolarHBondContact O-NE2 3.47Å; A4-Q201 WeakPolarHBondContact O-CG 3.44Å; I76-Q201 WeakPolarHBondContact CA-O 3.33Å; V77-Q201 HydrophobicContact CG1-CB 4.27Å; V77-Q201 PolarHBondContact N-O 3.03Å; V77-Q201 PolarHBondContact O-N 3.4Å; V79-Q201 HydrophobicContact CG2-CB 3.75Å
202	A	82.8	Confident	70.3	Confident	9 Å²	9	78.2 Å²	78.2	7%	0.074	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.4	-179.9	0	0	0	0	0	110	A4 I76 R204	A4-A202 PolarHBondContact O-N 3.48Å; I76-A202 HydrophobicContact CG2-CB 4.44Å; A202-R204 PolarHBondContact O-N 3.49Å; A202-R204 VanDerWaalsContact O-N 3.08Å
203	L	78.8	Confident	68.9	Low	101 Å²	101	81.2 Å²	81.2	53%	0.529	43%	0.428	S	S	.	.			trans	-80.3	87	171.5	-75	86.5	0	0	0	108.5	S75 V77 P205	S75-L203 PolarHBondContact O-N 2.69Å; V77-L203 HydrophobicContact CB-CD1 3.76Å; V77-L203 HydrophobicContact CG1-CD1 3.62Å; L203-P205 WeakPolarHBondContact O-CD 3.44Å
204	R	69.9	Low	67.5	Low	148 Å²	148	84.5 Å²	84.5	56%	0.558	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-82.4	121.5	170.9	-70	-175.3	177.7	178.6	-6.6	109.3	A202 D230	A202-R204 PolarHBondContact O-N 3.49Å; A202-R204 VanDerWaalsContact O-N 3.08Å; R204-D230 IonicContact NH2-OD2 2.77Å
205	P	55.4	Low	65.6	Low	107 Å²	107	86.1 Å²	86.1	70%	0.695	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-67.7	133.3	169.5	26.1	-30.4	0	0	0	109.7	L203	L203-P205 WeakPolarHBondContact O-CD 3.44Å
206	D	46.1	Very low	64	Low	83 Å²	83	88 Å²	88	44%	0.444	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-57.5	126.9	175.7	-75	-41.2	0	0	0	110.2	L208 R209	D206-L208 PolarHBondContact O-N 3.13Å; D206-L208 VanDerWaalsContact O-N 3.13Å; D206-R209 PolarHBondContact O-N 2.76Å
207	P	52.3	Low	62.2	Low	107 Å²	107	92.6 Å²	92.6	70%	0.695	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-22.4	179.4	23.8	-32.1	0	0	0	112.6	L211	P207-L211 PolarHBondContact O-N 2.84Å
208	L	49.3	Very low	60.5	Low	141 Å²	141	96.1 Å²	96.1	74%	0.738	54%	0.539	S	S	*	.	H	α-helix	trans	-72	-32.3	-179.7	-147.8	88.6	0	0	0	113.1	D206	D206-L208 PolarHBondContact O-N 3.13Å; D206-L208 VanDerWaalsContact O-N 3.13Å
209	R	49.4	Very low	58.7	Low	211 Å²	211	103.1 Å²	103.1	80%	0.796	58%	0.576	S	S	*	*	H	α-helix	trans	-76.1	-29.8	177.5	-87.3	-176.1	171	-168.8	-2.2	112.7	D206	D206-R209 PolarHBondContact O-N 2.76Å
210	V	52.6	Low	56.9	Low	82 Å²	82	110.3 Å²	110.3	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-73.4	-35.8	176.5	-178.1	0	0	0	0	110.5	M212 G213 V214	V210-M212 VanDerWaalsContact C-N 3.26Å; V210-M212 PolarHBondContact O-N 3.35Å; V210-G213 PolarHBondContact O-N 3.48Å; V210-V214 HydrophobicContact CG1-CG2 4.15Å; V210-V214 WeakPolarHBondContact O-CG2 3.27Å
211	L	51.4	Low	54.7	Low	134 Å²	134	117.6 Å²	117.6	70%	0.702	65%	0.648	S	S	*	*	H	α-helix	trans	-65.1	-26.2	-179.8	-149.2	82.2	0	0	0	113.7	P207 G213	P207-L211 PolarHBondContact O-N 2.84Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.21Å
212	M	50.3	Low	52.7	Low	170 Å²	170	128.1 Å²	128.1	84%	0.837	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	3.5	-179.4	-69.2	-88.9	75	0	0	114.4	V210	V210-M212 VanDerWaalsContact C-N 3.26Å; V210-M212 PolarHBondContact O-N 3.35Å
213	G	53.7	Low	51	Low	65 Å²	65	133.7 Å²	133.7	67%	0.67	72%	0.719	S	S	*	*	S	Bend	trans	-143.7	28.7	-171.9	0	0	0	0	0	116.2	V210 L211	V210-G213 PolarHBondContact O-N 3.48Å; L211-G213 VanDerWaalsContact C-N 3.33Å; L211-G213 PolarHBondContact O-N 3.21Å
214	V	53.2	Low	49.5	Very low	90 Å²	90	138.9 Å²	138.9	55%	0.545	73%	0.732	S	S	.	*			trans	-111	100.7	176.6	-163.2	0	0	0	0	111.5	V210	V210-V214 HydrophobicContact CG1-CG2 4.15Å; V210-V214 WeakPolarHBondContact O-CG2 3.27Å
215	T	42.6	Very low	48.5	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	73%	0.728	S	S	*	*			trans	-68.6	130.4	145.9	45.5	0	0	0	0	108.8	S217	T215-S217 PolarHBondContact O-N 3.42Å
216	L	50.3	Low	48.2	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	72%	0.724	S	S	*	*	S	Bend	trans	-62.5	76.8	-168.7	-77.3	147.6	0	0	0	116.3
217	S	46.2	Very low	48.6	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	74%	0.736	S	S	*	*	S	Bend	trans	-154.2	22.8	170.3	59.7	0	0	0	0	118	T215	T215-S217 PolarHBondContact O-N 3.42Å
218	A	45.3	Very low	48.8	Very low	91 Å²	91	134 Å²	134	75%	0.752	73%	0.728	S	S	*	*			trans	-146.1	30.8	171.4	0	0	0	0	0	113.8	Q220	A218-Q220 PolarHBondContact O-N 2.88Å; A218-Q220 VanDerWaalsContact O-N 3.15Å
219	L	46.9	Very low	49.4	Very low	148 Å²	148	132.5 Å²	132.5	78%	0.775	72%	0.717	S	S	*	*			trans	-86.5	58	176	-166.3	77.5	0	0	0	111
220	Q	45.9	Very low	50.3	Low	177 Å²	177	124.5 Å²	124.5	83%	0.827	69%	0.69	S	S	*	*	S	Bend	trans	-158.9	122.6	166.5	-104.4	157.9	4.7	0	0	107.3	A218	A218-Q220 PolarHBondContact O-N 2.88Å; A218-Q220 VanDerWaalsContact O-N 3.15Å
221	L	40.9	Very low	51.3	Low	176 Å²	176	125.7 Å²	125.7	92%	0.921	69%	0.693	S	S	*	*	S	Bend	trans	86.1	35.6	-178.8	-70.7	111.7	0	0	0	120
222	R	43.7	Very low	52.7	Low	245 Å²	245	128.6 Å²	128.6	93%	0.925	69%	0.694	S	S	*	*			trans	-123.4	93.3	149.6	-127.2	167	-172.4	165.5	0.6	110.4	R224	R222-R224 PolarHBondContact O-N 3Å
223	V	47.2	Very low	54	Low	126 Å²	126	122.1 Å²	122.1	76%	0.764	67%	0.668	S	S	*	*			trans	-36.5	98.4	173.2	178.6	0	0	0	0	109.8	S225	V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.48Å; V223-S225 VanDerWaalsContact O-N 3.16Å
224	R	46.8	Very low	55.2	Low	210 Å²	210	124.1 Å²	124.1	79%	0.792	66%	0.655	S	S	*	*			trans	-70.5	98.3	158.2	-80.6	178.1	170.4	157.6	-3.1	105.3	R222 L226	R222-R224 PolarHBondContact O-N 3Å; R224-L226 PolarHBondContact O-N 2.77Å
225	S	48.8	Very low	56.7	Low	69 Å²	69	123.3 Å²	123.3	48%	0.483	65%	0.65	S	S	.	*			trans	-57.9	111.6	169.3	-23.5	0	0	0	0	107.4	V223	V223-S225 VanDerWaalsContact C-N 3.35Å; V223-S225 PolarHBondContact O-N 3.48Å; V223-S225 VanDerWaalsContact O-N 3.16Å
226	L	49.4	Very low	58.9	Low	117 Å²	117	120.4 Å²	120.4	61%	0.613	64%	0.635	S	S	*	*			trans	-62.9	141.6	173.6	-85.4	135.1	0	0	0	108.1	R224 G228 E229	R224-L226 PolarHBondContact O-N 2.77Å; L226-G228 PolarHBondContact O-N 3.24Å; L226-E229 HydrophobicContact CB-CG 4.28Å; L226-E229 PolarHBondContact N-OE2 2.93Å; L226-E229 PolarHBondContact O-N 2.88Å
227	P	54.2	Low	60.6	Low	108 Å²	108	115.4 Å²	115.4	70%	0.701	61%	0.605	S	S	*	*	H	α-helix	trans	-55.6	-22	-178.5	16.5	-28.4	0	0	0	114
228	G	57.6	Low	62.6	Low	50 Å²	50	117.3 Å²	117.3	52%	0.515	60%	0.596	S	S	.	*	H	α-helix	trans	-73.2	-30	172.6	0	0	0	0	0	115.2	L226 L231 R232	L226-G228 PolarHBondContact O-N 3.24Å; G228-L231 PolarHBondContact O-N 2.99Å; G228-R232 PolarHBondContact O-N 3.43Å; G228-R232 VanDerWaalsContact O-N 3.14Å
229	E	61.5	Low	64.8	Low	109 Å²	109	118.1 Å²	118.1	51%	0.509	59%	0.587	S	S	.	*	H	α-helix	trans	-72.9	-38.4	178.8	-64.6	-174.6	116.8	0	0	111.4	L226 L231 R232 A233	L226-E229 HydrophobicContact CB-CG 4.28Å; L226-E229 PolarHBondContact N-OE2 2.93Å; L226-E229 PolarHBondContact O-N 2.88Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.04Å; E229-R232 PolarHBondContact O-N 2.78Å; E229-A233 WeakPolarHBondContact O-CB 3.37Å; E229-A233 PolarHBondContact O-N 3.34Å
230	D	67	Low	66.8	Low	42 Å²	42	115.1 Å²	115.1	23%	0.225	57%	0.571	C	S	.	*	H	α-helix	trans	-62.6	-34.8	173.9	-74.5	-14.8	0	0	0	112	R204 R234	R204-D230 IonicContact NH2-OD2 2.77Å; D230-R234 WeakPolarHBondContact O-CB 3.34Å; D230-R234 VanDerWaalsContact O-CG 3.26Å; D230-R234 WeakPolarHBondContact O-CG 3.39Å; D230-R234 PolarHBondContact O-N 3.1Å; D230-R234 VanDerWaalsContact O-N 3.09Å; D230-R234 PolarHBondContact O-NE 3.36Å
231	L	74.4	Confident	68.9	Low	107 Å²	107	106.7 Å²	106.7	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-70.5	-47.2	176.5	-172.7	67.2	0	0	0	111.4	G228 E229 A233 R234 V235	G228-L231 PolarHBondContact O-N 2.99Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.04Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.43Å; L231-R234 WeakPolarHBondContact O-CB 3.28Å; L231-R234 PolarHBondContact O-N 3.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.34Å; L231-V235 PolarHBondContact O-N 3.31Å
232	R	80.3	Confident	71.4	Confident	195 Å²	195	101.8 Å²	101.8	74%	0.736	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-43.8	177.6	-170.1	-179.3	-68.1	-168.3	-0.9	111.2	G228 E229 R234 V235 S236	G228-R232 PolarHBondContact O-N 3.43Å; G228-R232 VanDerWaalsContact O-N 3.14Å; E229-R232 PolarHBondContact O-N 2.78Å; R232-R234 PolarHBondContact O-N 2.97Å; R232-V235 PolarHBondContact O-N 3.39Å; R232-S236 PolarHBondContact O-N 2.9Å; R232-S236 PolarHBondContact O-OG 3.22Å; R232-S236 VanDerWaalsContact O-OG 3.1Å
233	A	77.2	Confident	73.8	Confident	35 Å²	35	94.5 Å²	94.5	29%	0.289	49%	0.491	S	S	.	.	H	α-helix	trans	-57.9	-47.9	174.3	0	0	0	0	0	111.4	E229 L231 V235 S236 Y237	E229-A233 WeakPolarHBondContact O-CB 3.37Å; E229-A233 PolarHBondContact O-N 3.34Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.43Å; A233-V235 VanDerWaalsContact C-N 3.34Å; A233-V235 PolarHBondContact O-N 3.07Å; A233-S236 PolarHBondContact O-N 3.15Å; A233-Y237 WeakPolarHBondContact O-CD2 3.41Å; A233-Y237 PolarHBondContact O-N 3.43Å
234	R	79.1	Confident	75.9	Confident	107 Å²	107	90.4 Å²	90.4	40%	0.404	47%	0.468	S	S	.	.	H	α-helix	trans	-58.9	-41.6	176.9	-79.5	178.5	-73.3	-137.4	2.1	113	D230 L231 R232 R238	D230-R234 WeakPolarHBondContact O-CB 3.34Å; D230-R234 VanDerWaalsContact O-CG 3.26Å; D230-R234 WeakPolarHBondContact O-CG 3.39Å; D230-R234 PolarHBondContact O-N 3.1Å; D230-R234 VanDerWaalsContact O-N 3.09Å; D230-R234 PolarHBondContact O-NE 3.36Å; L231-R234 WeakPolarHBondContact O-CB 3.28Å; L231-R234 PolarHBondContact O-N 3.17Å; R232-R234 PolarHBondContact O-N 2.97Å; R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 3.49Å
235	V	85.2	Confident	78.2	Confident	72 Å²	72	82.8 Å²	82.8	44%	0.436	44%	0.443	S	S	.	.	H	α-helix	trans	-63.8	-46	176.6	174.1	0	0	0	0	110.6	L231 R232 A233 Y237 R238 L239	L231-V235 WeakPolarHBondContact O-CG2 3.34Å; L231-V235 PolarHBondContact O-N 3.31Å; R232-V235 PolarHBondContact O-N 3.39Å; A233-V235 VanDerWaalsContact C-N 3.34Å; A233-V235 PolarHBondContact O-N 3.07Å; V235-Y237 PolarHBondContact O-N 3.15Å; V235-R238 WeakPolarHBondContact O-CB 3.36Å; V235-R238 PolarHBondContact O-N 2.84Å; V235-L239 HydrophobicContact CG1-CD1 4.24Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.28Å
236	S	88.1	Confident	80.4	Confident	67 Å²	67	84.9 Å²	84.9	47%	0.469	45%	0.448	S	S	.	.	H	α-helix	trans	-59.7	-43.3	177.7	-60.1	0	0	0	0	112.7	R232 A233 L239 L240	R232-S236 PolarHBondContact O-N 2.9Å; R232-S236 PolarHBondContact O-OG 3.22Å; R232-S236 VanDerWaalsContact O-OG 3.1Å; A233-S236 PolarHBondContact O-N 3.15Å; S236-L239 PolarHBondContact O-N 3.09Å; S236-L240 PolarHBondContact O-N 3.23Å
237	Y	86.2	Confident	82.5	Confident	63 Å²	63	84.9 Å²	84.9	25%	0.247	45%	0.445	C	S	.	.	H	α-helix	trans	-66.1	-39.3	175.4	-77.6	-71.5	0	0	0	112.2	P9 I12 Y183 A233 V235 L239 L240 G241	P9-Y237 HydrophobicContact CB-CE2 3.7Å; P9-Y237 HydrophobicContact CG-CE2 4Å; I12-Y237 HydrophobicContact CD1-CD1 4.12Å; I12-Y237 HydrophobicContact CD1-CE1 3.53Å; Y183-Y237 WeakPolarHBondContact CB-O 3.46Å; Y183-Y237 AromaticContact CD1-CD1 3.62Å; Y183-Y237 HydrophobicContact CD1-CD1 3.62Å; Y183-Y237 HydrophobicContact CD1-CE1 4.42Å; Y183-Y237 HydrophobicContact CD1-CG 4.45Å; Y183-Y237 AromaticContact CE1-CD1 3.67Å; Y183-Y237 HydrophobicContact CE1-CD1 3.67Å; Y183-Y237 HydrophobicContact CE1-CE1 4.03Å; Y183-Y237 CarbonylContact O-C 3.48Å; A233-Y237 WeakPolarHBondContact O-CD2 3.41Å; A233-Y237 PolarHBondContact O-N 3.43Å; V235-Y237 PolarHBondContact O-N 3.15Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 3.32Å; Y237-L240 WeakPolarHBondContact O-CB 3.31Å; Y237-L240 PolarHBondContact O-N 3.49Å; Y237-G241 PolarHBondContact O-N 3.47Å
238	R	88	Confident	84.4	Confident	150 Å²	150	80.5 Å²	80.5	57%	0.566	42%	0.415	S	S	*	.	H	α-helix	trans	-60.5	-42.9	173.9	-77.5	-179.6	175.5	-179.9	2.7	112.1	R234 V235 G241 V242	R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 3.49Å; V235-R238 WeakPolarHBondContact O-CB 3.36Å; V235-R238 PolarHBondContact O-N 2.84Å; R238-G241 PolarHBondContact O-N 2.9Å; R238-V242 WeakPolarHBondContact O-CG2 3.39Å; R238-V242 PolarHBondContact O-N 3.39Å
239	L	91.4	Very high	86.1	Confident	108 Å²	108	83 Å²	83	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-60.4	-45.2	175.1	-70.9	171	0	0	0	111.3	V235 S236 Y237 G241 V242 V243	V235-L239 HydrophobicContact CG1-CD1 4.24Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 3.28Å; S236-L239 PolarHBondContact O-N 3.09Å; Y237-L239 VanDerWaalsContact C-N 3.34Å; Y237-L239 PolarHBondContact O-N 3.32Å; L239-G241 VanDerWaalsContact C-N 3.27Å; L239-G241 PolarHBondContact O-N 2.9Å; L239-V242 PolarHBondContact O-N 2.84Å; L239-V242 VanDerWaalsContact O-N 3.17Å; L239-V243 WeakPolarHBondContact O-CG2 3.44Å; L239-V243 PolarHBondContact O-N 2.92Å
240	L	90.4	Very high	87.7	Confident	85 Å²	85	83 Å²	83	45%	0.445	42%	0.423	S	S	.	.	H	α-helix	trans	-59.3	-38.7	175.1	-172.7	66.6	0	0	0	112	Y183 S236 Y237 S244	Y183-L240 HydrophobicContact CD1-CD2 4.31Å; Y183-L240 HydrophobicContact CE1-CD2 3.94Å; Y183-L240 HydrophobicContact CE2-CD2 4.24Å; S236-L240 PolarHBondContact O-N 3.23Å; Y237-L240 WeakPolarHBondContact O-CB 3.31Å; Y237-L240 PolarHBondContact O-N 3.49Å; L240-S244 WeakPolarHBondContact O-CB 3.42Å; L240-S244 PolarHBondContact O-N 3.05Å; L240-S244 PolarHBondContact O-OG 3.39Å
241	G	90	Very high	88.9	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-61.4	-45.5	173.2	0	0	0	0	0	113.2	Y237 R238 L239 S244 L245	Y237-G241 PolarHBondContact O-N 3.47Å; R238-G241 PolarHBondContact O-N 2.9Å; L239-G241 VanDerWaalsContact C-N 3.27Å; L239-G241 PolarHBondContact O-N 2.9Å; G241-S244 WeakPolarHBondContact CA-OG 3.33Å; G241-S244 PolarHBondContact O-N 3.49Å; G241-S244 PolarHBondContact O-OG 3.43Å; G241-L245 WeakPolarHBondContact O-CG 3.25Å; G241-L245 PolarHBondContact O-N 3.01Å
242	V	92.9	Very high	89.7	Confident	73 Å²	73	79.2 Å²	79.2	44%	0.442	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-44.9	177.1	174.9	0	0	0	0	111.3	R238 L239 S244 L245 L246	R238-V242 WeakPolarHBondContact O-CG2 3.39Å; R238-V242 PolarHBondContact O-N 3.39Å; L239-V242 PolarHBondContact O-N 2.84Å; L239-V242 VanDerWaalsContact O-N 3.17Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.31Å; V242-L245 PolarHBondContact O-N 2.81Å; V242-L246 HydrophobicContact CG1-CD1 4.1Å; V242-L246 HydrophobicContact CG1-CG 4.44Å; V242-L246 WeakPolarHBondContact O-CG 3.25Å; V242-L246 PolarHBondContact O-N 3.5Å
243	V	94.6	Very high	90.3	Very high	92 Å²	92	71.7 Å²	71.7	56%	0.558	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-43	177.5	172	0	0	0	0	111.2	L239 L246 H247	L239-V243 WeakPolarHBondContact O-CG2 3.44Å; L239-V243 PolarHBondContact O-N 2.92Å; V243-L246 PolarHBondContact O-N 2.98Å; V243-H247 WeakPolarHBondContact O-CB 3.49Å; V243-H247 PolarHBondContact O-N 3.46Å
244	S	91.6	Very high	91	Very high	39 Å²	39	75.4 Å²	75.4	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-67.7	-34.6	177.3	49.5	0	0	0	0	113.1	A180 L240 G241 V242 L248	A180-S244 WeakPolarHBondContact CB-OG 3.44Å; L240-S244 WeakPolarHBondContact O-CB 3.42Å; L240-S244 PolarHBondContact O-N 3.05Å; L240-S244 PolarHBondContact O-OG 3.39Å; G241-S244 WeakPolarHBondContact CA-OG 3.33Å; G241-S244 PolarHBondContact O-N 3.49Å; G241-S244 PolarHBondContact O-OG 3.43Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.31Å; S244-L248 WeakPolarHBondContact O-CB 3.23Å; S244-L248 PolarHBondContact O-N 2.62Å
245	L	93.6	Very high	91.4	Very high	51 Å²	51	74.9 Å²	74.9	27%	0.267	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-46.3	170	-77	-179.5	0	0	0	112.1	A180 I184 G241 V242 H247 L248 V249	A180-L245 HydrophobicContact CB-CD2 3.56Å; A180-L245 HydrophobicContact CB-CG 3.68Å; I184-L245 HydrophobicContact CD1-CD1 3.44Å; I184-L245 VanDerWaalsContact CD1-CD1 3.44Å; I184-L245 HydrophobicContact CD1-CG 4.32Å; G241-L245 WeakPolarHBondContact O-CG 3.25Å; G241-L245 PolarHBondContact O-N 3.01Å; V242-L245 PolarHBondContact O-N 2.81Å; L245-H247 VanDerWaalsContact C-N 3.31Å; L245-H247 PolarHBondContact O-N 2.53Å; L245-L248 WeakPolarHBondContact O-CB 3.41Å; L245-L248 PolarHBondContact O-N 2.67Å; L245-L248 VanDerWaalsContact O-N 3.15Å; L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.92Å
246	L	94.6	Very high	91.5	Very high	112 Å²	112	76 Å²	76	59%	0.586	41%	0.41	S	S	*	.	H	α-helix	trans	-59.7	-43.7	177.1	-72.2	171.1	0	0	0	111.1	V242 V243 L248 V249 L250	V242-L246 HydrophobicContact CG1-CD1 4.1Å; V242-L246 HydrophobicContact CG1-CG 4.44Å; V242-L246 WeakPolarHBondContact O-CG 3.25Å; V242-L246 PolarHBondContact O-N 3.5Å; V243-L246 PolarHBondContact O-N 2.98Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.22Å; L246-V249 PolarHBondContact O-N 3.05Å; L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 PolarHBondContact O-N 2.77Å
247	H	95.1	Very high	91.5	Very high	117 Å²	117	80.3 Å²	80.3	54%	0.542	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-38.9	175.6	-178.1	-153.9	0	0	0	112.4	V243 L245 S251	V243-H247 WeakPolarHBondContact O-CB 3.49Å; V243-H247 PolarHBondContact O-N 3.46Å; L245-H247 VanDerWaalsContact C-N 3.31Å; L245-H247 PolarHBondContact O-N 2.53Å; H247-S251 VanDerWaalsContact O-CB 3.32Å; H247-S251 WeakPolarHBondContact O-CB 3.5Å; H247-S251 PolarHBondContact O-N 3.21Å; H247-S251 PolarHBondContact O-OG 3.41Å
248	L	93.1	Very high	91.6	Very high	16 Å²	16	78.3 Å²	78.3	8%	0.084	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-46.5	174.4	-179.9	63.8	0	0	0	111.6	R176 L177 S244 L245 L246 L250 S251 V252	R176-L248 HydrophobicContact CB-CD1 3.93Å; R176-L248 HydrophobicContact CB-CD2 4.28Å; L177-L248 HydrophobicContact CB-CD2 3.76Å; L177-L248 HydrophobicContact CD1-CD2 4.41Å; S244-L248 WeakPolarHBondContact O-CB 3.23Å; S244-L248 PolarHBondContact O-N 2.62Å; L245-L248 WeakPolarHBondContact O-CB 3.41Å; L245-L248 PolarHBondContact O-N 2.67Å; L245-L248 VanDerWaalsContact O-N 3.15Å; L246-L248 VanDerWaalsContact C-N 3.33Å; L246-L248 PolarHBondContact O-N 3.22Å; L248-L250 VanDerWaalsContact C-N 3.35Å; L248-L250 PolarHBondContact O-N 3.07Å; L248-S251 PolarHBondContact O-N 2.62Å; L248-V252 HydrophobicContact CD1-CG2 4.04Å; L248-V252 HydrophobicContact CG-CG2 4.44Å; L248-V252 WeakPolarHBondContact O-CB 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.4Å
249	V	94.2	Very high	91.4	Very high	103 Å²	103	76.6 Å²	76.6	62%	0.624	41%	0.412	S	S	*	.	H	α-helix	trans	-60.3	-45.3	177.8	171.2	0	0	0	0	110.7	L245 L246 G253	L245-V249 WeakPolarHBondContact O-CG2 3.44Å; L245-V249 PolarHBondContact O-N 2.92Å; L246-V249 PolarHBondContact O-N 3.05Å; V249-G253 WeakPolarHBondContact O-CA 3.21Å; V249-G253 PolarHBondContact O-N 3.29Å
250	L	94.8	Very high	91	Very high	108 Å²	108	79.8 Å²	79.8	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-61.6	-47.9	176.4	-179.2	63.2	0	0	0	111.4	L246 L248 V252 G253 L254	L246-L250 WeakPolarHBondContact O-CB 3.36Å; L246-L250 PolarHBondContact O-N 2.77Å; L248-L250 VanDerWaalsContact C-N 3.35Å; L248-L250 PolarHBondContact O-N 3.07Å; L250-V252 PolarHBondContact O-N 3.23Å; L250-G253 PolarHBondContact O-N 3.32Å; L250-L254 HydrophobicContact CD1-CD1 4.3Å; L250-L254 HydrophobicContact CD1-CG 4.3Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 3.36Å
251	S	91.8	Very high	90.7	Very high	26 Å²	26	81.3 Å²	81.3	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-60.1	-48.4	179.7	-63.7	0	0	0	0	112	H247 L248 G253 L254 Q255	H247-S251 VanDerWaalsContact O-CB 3.32Å; H247-S251 WeakPolarHBondContact O-CB 3.5Å; H247-S251 PolarHBondContact O-N 3.21Å; H247-S251 PolarHBondContact O-OG 3.41Å; L248-S251 PolarHBondContact O-N 2.62Å; S251-G253 VanDerWaalsContact C-N 3.34Å; S251-L254 PolarHBondContact O-N 2.84Å; S251-Q255 WeakPolarHBondContact O-CG 3.32Å; S251-Q255 PolarHBondContact O-N 2.99Å
252	V	91.9	Very high	90.3	Very high	45 Å²	45	89.9 Å²	89.9	27%	0.273	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-40.2	177.7	172.8	0	0	0	0	110.4	L248 L250 L254 Q255 L256	L248-V252 HydrophobicContact CD1-CG2 4.04Å; L248-V252 HydrophobicContact CG-CG2 4.44Å; L248-V252 WeakPolarHBondContact O-CB 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.4Å; L250-V252 PolarHBondContact O-N 3.23Å; V252-L254 PolarHBondContact O-N 3.46Å; V252-Q255 PolarHBondContact O-N 2.82Å; V252-L256 HydrophobicContact CG1-CD1 3.83Å; V252-L256 HydrophobicContact CG1-CG 4.18Å; V252-L256 WeakPolarHBondContact O-CB 3.45Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.17Å; V252-L256 PolarHBondContact O-N 3Å
253	G	91.8	Very high	89.5	Confident	37 Å²	37	90.5 Å²	90.5	38%	0.381	45%	0.452	S	S	.	.	H	α-helix	trans	-58.2	-47.3	175.4	0	0	0	0	0	112.5	V249 L250 S251 L256 Y257	V249-G253 WeakPolarHBondContact O-CA 3.21Å; V249-G253 PolarHBondContact O-N 3.29Å; L250-G253 PolarHBondContact O-N 3.32Å; S251-G253 VanDerWaalsContact C-N 3.34Å; G253-L256 PolarHBondContact O-N 2.84Å; G253-Y257 VanDerWaalsContact O-CB 3.25Å; G253-Y257 WeakPolarHBondContact O-CB 3.5Å; G253-Y257 PolarHBondContact O-N 3.01Å
254	L	91.6	Very high	88.7	Confident	112 Å²	112	94.5 Å²	94.5	59%	0.586	46%	0.457	S	S	*	.	H	α-helix	trans	-64.5	-42.2	176.1	-69.5	173.8	0	0	0	112.1	L250 S251 V252 Y257 G258	L250-L254 HydrophobicContact CD1-CD1 4.3Å; L250-L254 HydrophobicContact CD1-CG 4.3Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.49Å; L250-L254 PolarHBondContact O-N 3.36Å; S251-L254 PolarHBondContact O-N 2.84Å; V252-L254 PolarHBondContact O-N 3.46Å; L254-Y257 PolarHBondContact O-N 3.08Å; L254-G258 PolarHBondContact O-N 2.94Å
255	Q	87.6	Confident	87.7	Confident	96 Å²	96	94.2 Å²	94.2	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.4	-74.7	-177.4	-32.8	0	0	111.9	S251 V252 F259	S251-Q255 WeakPolarHBondContact O-CG 3.32Å; S251-Q255 PolarHBondContact O-N 2.99Å; V252-Q255 PolarHBondContact O-N 2.82Å; Q255-F259 VanDerWaalsContact O-CB 3.3Å; Q255-F259 WeakPolarHBondContact O-CB 3.37Å; Q255-F259 PolarHBondContact O-N 3.36Å
256	L	87.3	Confident	86.6	Confident	96 Å²	96	99.8 Å²	99.8	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-68.4	-38.2	177.2	-71.8	176.1	0	0	0	112	V252 G253 F259 R260	V252-L256 HydrophobicContact CG1-CD1 3.83Å; V252-L256 HydrophobicContact CG1-CG 4.18Å; V252-L256 WeakPolarHBondContact O-CB 3.45Å; V252-L256 VanDerWaalsContact O-CG 3.27Å; V252-L256 WeakPolarHBondContact O-CG 3.17Å; V252-L256 PolarHBondContact O-N 3Å; G253-L256 PolarHBondContact O-N 2.84Å; L256-F259 PolarHBondContact O-N 2.98Å; L256-R260 WeakPolarHBondContact O-CB 3.19Å; L256-R260 WeakPolarHBondContact O-CG 3.45Å; L256-R260 PolarHBondContact O-N 3.46Å
257	Y	90.1	Very high	85.2	Confident	158 Å²	158	101.1 Å²	101.1	62%	0.62	48%	0.476	S	S	*	.	H	α-helix	trans	-61.1	-52	174.7	178.9	-94.8	0	0	0	110.7	G253 L254 F259 R260 Q261	G253-Y257 VanDerWaalsContact O-CB 3.25Å; G253-Y257 WeakPolarHBondContact O-CB 3.5Å; G253-Y257 PolarHBondContact O-N 3.01Å; L254-Y257 PolarHBondContact O-N 3.08Å; Y257-F259 VanDerWaalsContact C-N 3.3Å; Y257-F259 PolarHBondContact O-N 3.36Å; Y257-R260 PolarHBondContact O-N 3.48Å; Y257-Q261 WeakPolarHBondContact O-CB 3.37Å; Y257-Q261 PolarHBondContact O-N 3.33Å
258	G	87	Confident	84.1	Confident	21 Å²	21	101.2 Å²	101.2	22%	0.216	48%	0.476	C	S	.	.	H	α-helix	trans	-61.5	-37.1	176.4	0	0	0	0	0	112.6	L254 Q261 R262	L254-G258 PolarHBondContact O-N 2.94Å; G258-Q261 PolarHBondContact O-N 2.87Å; G258-R262 WeakPolarHBondContact O-CB 3.43Å; G258-R262 VanDerWaalsContact O-CG 3.24Å; G258-R262 WeakPolarHBondContact O-CG 3.45Å; G258-R262 PolarHBondContact O-N 3.34Å
259	F	83.4	Confident	82.4	Confident	113 Å²	113	108.3 Å²	108.3	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-66.3	-45.3	174.3	-175.9	-104.2	0	0	0	112.3	Q255 L256 Y257 Q261 R262 Q263	Q255-F259 VanDerWaalsContact O-CB 3.3Å; Q255-F259 WeakPolarHBondContact O-CB 3.37Å; Q255-F259 PolarHBondContact O-N 3.36Å; L256-F259 PolarHBondContact O-N 2.98Å; Y257-F259 VanDerWaalsContact C-N 3.3Å; Y257-F259 PolarHBondContact O-N 3.36Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.02Å; F259-R262 PolarHBondContact O-N 3.22Å; F259-Q263 HydrophobicContact CD1-CG 4.3Å; F259-Q263 HydrophobicContact CE1-CG 4.02Å; F259-Q263 HydrophobicContact CZ-CG 4.23Å; F259-Q263 VanDerWaalsContact CZ-NE2 3.26Å; F259-Q263 WeakPolarHBondContact O-CG 3.48Å; F259-Q263 PolarHBondContact O-N 2.85Å
260	R	84.6	Confident	80.8	Confident	175 Å²	175	110.9 Å²	110.9	66%	0.66	50%	0.5	S	S	*	.	H	α-helix	trans	-61.2	-41.2	174.8	-79.6	-177.6	172.4	-177.5	-0.7	111.4	L256 Y257 Q263 R264	L256-R260 WeakPolarHBondContact O-CB 3.19Å; L256-R260 WeakPolarHBondContact O-CG 3.45Å; L256-R260 PolarHBondContact O-N 3.46Å; Y257-R260 PolarHBondContact O-N 3.48Å; R260-Q263 PolarHBondContact O-N 3.38Å; R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.42Å
261	Q	84.1	Confident	79	Confident	117 Å²	117	111.2 Å²	111.2	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.5	-172.1	-177.7	7.7	0	0	111.1	Y257 G258 F259 Q263 R264 A265	Y257-Q261 WeakPolarHBondContact O-CB 3.37Å; Y257-Q261 PolarHBondContact O-N 3.33Å; G258-Q261 PolarHBondContact O-N 2.87Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.02Å; Q261-Q263 VanDerWaalsContact C-N 3.27Å; Q261-Q263 PolarHBondContact O-N 3.03Å; Q261-R264 PolarHBondContact O-N 3.15Å; Q261-A265 PolarHBondContact O-N 2.99Å
262	R	80.4	Confident	77.3	Confident	180 Å²	180	115.5 Å²	115.5	68%	0.679	52%	0.519	S	S	*	.	H	α-helix	trans	-60.3	-36.2	174.1	-72.4	172.3	-173.6	-174.7	2.5	112.1	G258 F259 R266	G258-R262 WeakPolarHBondContact O-CB 3.43Å; G258-R262 VanDerWaalsContact O-CG 3.24Å; G258-R262 WeakPolarHBondContact O-CG 3.45Å; G258-R262 PolarHBondContact O-N 3.34Å; F259-R262 PolarHBondContact O-N 3.22Å; R262-R266 WeakPolarHBondContact O-CB 3.46Å; R262-R266 WeakPolarHBondContact O-CG 3.37Å; R262-R266 PolarHBondContact O-N 3.44Å
263	Q	75.8	Confident	75.5	Confident	86 Å²	86	122 Å²	122	40%	0.402	54%	0.539	S	S	.	.	H	α-helix	trans	-69.6	-40.4	175.3	-75.9	-164.2	-14.3	0	0	113	F259 R260 Q261 R266 K267	F259-Q263 HydrophobicContact CD1-CG 4.3Å; F259-Q263 HydrophobicContact CE1-CG 4.02Å; F259-Q263 HydrophobicContact CZ-CG 4.23Å; F259-Q263 VanDerWaalsContact CZ-NE2 3.26Å; F259-Q263 WeakPolarHBondContact O-CG 3.48Å; F259-Q263 PolarHBondContact O-N 2.85Å; R260-Q263 PolarHBondContact O-N 3.38Å; Q261-Q263 VanDerWaalsContact C-N 3.27Å; Q261-Q263 PolarHBondContact O-N 3.03Å; Q263-R266 PolarHBondContact O-N 3.31Å; Q263-K267 WeakPolarHBondContact O-CG 3.14Å; Q263-K267 PolarHBondContact O-N 3.16Å
264	R	78	Confident	73.7	Confident	177 Å²	177	122.2 Å²	122.2	67%	0.668	54%	0.541	S	S	*	.	H	α-helix	trans	-61.8	-50.7	175.3	-74.6	-177.5	-174.6	-147.8	1.6	110.8	R260 Q261 R266 K267 E268	R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.42Å; Q261-R264 PolarHBondContact O-N 3.15Å; R264-R266 VanDerWaalsContact C-N 3.31Å; R264-R266 PolarHBondContact O-N 2.92Å; R264-K267 WeakPolarHBondContact O-CB 3.45Å; R264-K267 PolarHBondContact O-N 3.48Å; R264-E268 PolarHBondContact O-N 2.8Å
265	A	71.7	Confident	72	Confident	32 Å²	32	121.6 Å²	121.6	26%	0.264	54%	0.538	S	S	.	.	H	α-helix	trans	-51.1	-52.6	171.6	0	0	0	0	0	109.9	Q261 K267 E268 W269	Q261-A265 PolarHBondContact O-N 2.99Å; A265-K267 VanDerWaalsContact C-N 3.26Å; A265-K267 PolarHBondContact O-N 2.89Å; A265-K267 VanDerWaalsContact O-N 3.17Å; A265-E268 PolarHBondContact O-N 3.28Å; A265-E268 VanDerWaalsContact O-N 3.16Å; A265-W269 WeakPolarHBondContact O-CB 3.32Å; A265-W269 PolarHBondContact O-N 2.89Å
266	R	69.5	Low	70.3	Confident	169 Å²	169	119 Å²	119	64%	0.638	53%	0.531	S	S	*	.	H	α-helix	trans	-59.8	-27.3	178.9	-76.1	175.2	-176.5	-156.5	1.4	114.9	R262 Q263 R264 R270	R262-R266 WeakPolarHBondContact O-CB 3.46Å; R262-R266 WeakPolarHBondContact O-CG 3.37Å; R262-R266 PolarHBondContact O-N 3.44Å; Q263-R266 PolarHBondContact O-N 3.31Å; R264-R266 VanDerWaalsContact C-N 3.31Å; R264-R266 PolarHBondContact O-N 2.92Å; R266-R270 WeakPolarHBondContact O-CB 3.4Å; R266-R270 WeakPolarHBondContact O-CG 3.32Å; R266-R270 PolarHBondContact O-N 2.87Å; R266-R270 PolarHBondContact O-NE 2.99Å
267	K	66.1	Low	68.6	Low	140 Å²	140	121.7 Å²	121.7	61%	0.609	54%	0.54	S	S	*	.	H	α-helix	trans	-77.2	-44.6	175.3	-75.6	-178.2	178.5	-173.9	0	110.7	Q263 R264 A265 R270 L271	Q263-K267 WeakPolarHBondContact O-CG 3.14Å; Q263-K267 PolarHBondContact O-N 3.16Å; R264-K267 WeakPolarHBondContact O-CB 3.45Å; R264-K267 PolarHBondContact O-N 3.48Å; A265-K267 VanDerWaalsContact C-N 3.26Å; A265-K267 PolarHBondContact O-N 2.89Å; A265-K267 VanDerWaalsContact O-N 3.17Å; K267-R270 PolarHBondContact O-N 3.26Å; K267-R270 VanDerWaalsContact O-N 3.13Å; K267-L271 PolarHBondContact O-N 2.82Å
268	E	72.5	Confident	66.6	Low	119 Å²	119	123.6 Å²	123.6	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-59.4	-47.7	173.3	-70.5	165.4	-174.1	0	0	110.7	R264 A265 R270 L271 H272	R264-E268 PolarHBondContact O-N 2.8Å; A265-E268 PolarHBondContact O-N 3.28Å; A265-E268 VanDerWaalsContact O-N 3.16Å; E268-R270 VanDerWaalsContact C-N 3.26Å; E268-R270 PolarHBondContact O-N 3.25Å; E268-L271 PolarHBondContact O-N 3.02Å; E268-L271 VanDerWaalsContact O-N 3.15Å; E268-H272 PolarHBondContact O-CD2 3.46Å; E268-H272 PolarHBondContact O-N 3.4Å
269	W	55.8	Low	64.9	Low	165 Å²	165	130.2 Å²	130.2	63%	0.625	57%	0.565	S	S	*	*	H	α-helix	trans	-57.5	-34.5	173.4	-72.3	114.2	0	0	0	113.1	A265 R273	A265-W269 WeakPolarHBondContact O-CB 3.32Å; A265-W269 PolarHBondContact O-N 2.89Å; W269-R273 PolarHBondContact O-N 2.86Å; W269-R273 VanDerWaalsContact O-N 3.14Å
270	R	61.2	Low	63.2	Low	156 Å²	156	126.2 Å²	126.2	59%	0.589	56%	0.555	S	S	*	*	H	α-helix	trans	-74.8	-38.4	176	-87.4	-174.7	-77.1	-150.6	2.7	113	R266 K267 E268 R273 G274	R266-R270 WeakPolarHBondContact O-CB 3.4Å; R266-R270 WeakPolarHBondContact O-CG 3.32Å; R266-R270 PolarHBondContact O-N 2.87Å; R266-R270 PolarHBondContact O-NE 2.99Å; K267-R270 PolarHBondContact O-N 3.26Å; K267-R270 VanDerWaalsContact O-N 3.13Å; E268-R270 VanDerWaalsContact C-N 3.26Å; E268-R270 PolarHBondContact O-N 3.25Å; R270-R273 WeakPolarHBondContact O-CB 3.26Å; R270-R273 PolarHBondContact O-N 3.26Å; R270-G274 PolarHBondContact O-N 2.93Å
271	L	57.5	Low	61.6	Low	116 Å²	116	122 Å²	122	61%	0.607	55%	0.552	S	S	*	*	H	α-helix	trans	-63.7	-43.9	175.2	-173.4	71.1	0	0	0	110.7	K267 E268 R273 G274 L275	K267-L271 PolarHBondContact O-N 2.82Å; E268-L271 PolarHBondContact O-N 3.02Å; E268-L271 VanDerWaalsContact O-N 3.15Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 3.48Å; L271-G274 PolarHBondContact O-N 3.45Å; L271-L275 HydrophobicContact CG-CD1 4.07Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.9Å
272	H	56	Low	60.1	Low	116 Å²	116	123.8 Å²	123.8	54%	0.537	57%	0.565	S	S	.	*	H	α-helix	trans	-60	-37.5	172.6	-73.5	-64	0	0	0	112.2	E268 S276	E268-H272 PolarHBondContact O-CD2 3.46Å; E268-H272 PolarHBondContact O-N 3.4Å; H272-S276 WeakPolarHBondContact O-CB 3.38Å; H272-S276 PolarHBondContact O-N 3.29Å; H272-S276 PolarHBondContact O-OG 3.41Å
273	R	54.1	Low	58.7	Low	180 Å²	180	120.7 Å²	120.7	68%	0.679	56%	0.558	S	S	*	*	H	α-helix	trans	-63	-43.7	174.5	-166.1	-179.8	-71.6	178.6	-7.1	112.5	W269 R270 L271 H277	W269-R273 PolarHBondContact O-N 2.86Å; W269-R273 VanDerWaalsContact O-N 3.14Å; R270-R273 WeakPolarHBondContact O-CB 3.26Å; R270-R273 PolarHBondContact O-N 3.26Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 3.48Å; R273-H277 PolarHBondContact O-N 3.2Å
274	G	53.6	Low	57.4	Low	42 Å²	42	124.5 Å²	124.5	43%	0.433	58%	0.576	S	S	.	*	H	α-helix	trans	-70.9	-39.6	179.1	0	0	0	0	0	114	R270 L271 H277 R278	R270-G274 PolarHBondContact O-N 2.93Å; L271-G274 PolarHBondContact O-N 3.45Å; G274-H277 PolarHBondContact O-N 3Å; G274-R278 PolarHBondContact O-N 3.23Å
275	L	56.6	Low	55.8	Low	99 Å²	99	127.5 Å²	127.5	52%	0.518	59%	0.587	S	S	.	*	H	α-helix	trans	-67	-38.1	175.7	-73.4	169.3	0	0	0	112.1	L271 H277 R278 R279	L271-L275 HydrophobicContact CG-CD1 4.07Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.9Å; L275-H277 VanDerWaalsContact C-N 3.35Å; L275-R278 PolarHBondContact O-N 3.01Å; L275-R279 VanDerWaalsContact O-CB 3.28Å; L275-R279 WeakPolarHBondContact O-CB 3.24Å; L275-R279 PolarHBondContact O-N 3.48Å
276	S	51.8	Low	54.7	Low	43 Å²	43	132 Å²	132	30%	0.301	61%	0.611	S	S	.	*	H	α-helix	trans	-63	-39.9	171.8	-61.9	0	0	0	0	112.4	H272 R279 G280 R301	H272-S276 WeakPolarHBondContact O-CB 3.38Å; H272-S276 PolarHBondContact O-N 3.29Å; H272-S276 PolarHBondContact O-OG 3.41Å; S276-R279 PolarHBondContact O-N 3.18Å; S276-G280 PolarHBondContact O-N 3.36Å; S276-R301 VanDerWaalsContact CB-NH1 3.34Å; S276-R301 VanDerWaalsContact CB-NH2 3.31Å; S276-R301 PolarHBondContact OG-NH1 2.91Å
277	H	51.8	Low	53.9	Low	151 Å²	151	131 Å²	131	70%	0.699	62%	0.623	S	S	*	*	H	α-helix	trans	-67.7	-36.9	177.6	-164.7	-46.7	0	0	0	112.2	R273 G274 L275 S281	R273-H277 PolarHBondContact O-N 3.2Å; G274-H277 PolarHBondContact O-N 3Å; L275-H277 VanDerWaalsContact C-N 3.35Å; H277-S281 PolarHBondContact O-N 2.91Å
278	R	47.5	Very low	52.8	Low	199 Å²	199	128 Å²	128	75%	0.751	62%	0.62	S	S	*	*	H	α-helix	trans	-72.9	-34.4	176.5	-163.8	176.9	-161.6	-157.1	3.9	112.5	G274 L275 L282	G274-R278 PolarHBondContact O-N 3.23Å; L275-R278 PolarHBondContact O-N 3.01Å; R278-L282 PolarHBondContact O-N 2.72Å
279	R	50.1	Low	51.9	Low	160 Å²	160	133.6 Å²	133.6	60%	0.604	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-41.6	174.7	-172.3	170.4	-176.1	159.8	7.4	111.7	L275 S276 S281 L282 E283	L275-R279 VanDerWaalsContact O-CB 3.28Å; L275-R279 WeakPolarHBondContact O-CB 3.24Å; L275-R279 PolarHBondContact O-N 3.48Å; S276-R279 PolarHBondContact O-N 3.18Å; R279-S281 VanDerWaalsContact C-N 3.33Å; R279-S281 PolarHBondContact O-N 3.13Å; R279-L282 PolarHBondContact O-N 3.25Å; R279-E283 WeakPolarHBondContact CG-OE2 3.39Å; R279-E283 IonicContact NE-OE1 3.3Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.55Å; R279-E283 IonicContact NH2-OE1 3.46Å; R279-E283 PolarHBondContact O-N 3.27Å; R279-E283 VanDerWaalsContact O-N 3.13Å
280	G	47.5	Very low	51.9	Low	28 Å²	28	129.7 Å²	129.7	29%	0.289	63%	0.628	S	S	.	*	H	α-helix	trans	-58.2	-41.6	173.6	0	0	0	0	0	113.2	S276 L282 E283 E284	S276-G280 PolarHBondContact O-N 3.36Å; G280-L282 VanDerWaalsContact C-N 3.32Å; G280-L282 PolarHBondContact O-N 3.39Å; G280-E283 PolarHBondContact O-N 3.45Å; G280-E284 PolarHBondContact O-N 2.97Å
281	S	51.1	Low	52.3	Low	86 Å²	86	124.7 Å²	124.7	60%	0.601	62%	0.615	S	S	*	*	H	α-helix	trans	-69.1	-23.1	178.4	171.8	0	0	0	0	114.7	H277 R279	H277-S281 PolarHBondContact O-N 2.91Å; R279-S281 VanDerWaalsContact C-N 3.33Å; R279-S281 PolarHBondContact O-N 3.13Å
282	L	54.4	Low	53.4	Low	156 Å²	156	124.3 Å²	124.3	82%	0.817	61%	0.613	S	S	*	*	H	α-helix	trans	-92.3	-25.5	179.6	-146.4	100.2	0	0	0	112.3	R278 R279 G280	R278-L282 PolarHBondContact O-N 2.72Å; R279-L282 PolarHBondContact O-N 3.25Å; G280-L282 VanDerWaalsContact C-N 3.32Å; G280-L282 PolarHBondContact O-N 3.39Å
283	E	50.1	Low	54.8	Low	114 Å²	114	118.8 Å²	118.8	53%	0.533	59%	0.587	S	S	.	*	H	α-helix	trans	-86.5	-6.1	178.1	-79.8	171.2	156.4	0	0	113.2	R279 G280 R285 V286	R279-E283 WeakPolarHBondContact CG-OE2 3.39Å; R279-E283 IonicContact NE-OE1 3.3Å; R279-E283 PolarHBondContact NE-OE1 3.44Å; R279-E283 IonicContact NE-OE2 3.55Å; R279-E283 IonicContact NH2-OE1 3.46Å; R279-E283 PolarHBondContact O-N 3.27Å; R279-E283 VanDerWaalsContact O-N 3.13Å; G280-E283 PolarHBondContact O-N 3.45Å; E283-R285 PolarHBondContact O-N 2.98Å; E283-V286 PolarHBondContact O-N 2.93Å
284	E	48	Very low	56.3	Low	166 Å²	166	113.6 Å²	113.6	78%	0.776	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	8.3	-177.7	-161.7	140.6	-159.6	0	0	115.6	G280	G280-E284 PolarHBondContact O-N 2.97Å
285	R	45.9	Very low	57.7	Low	241 Å²	241	114.5 Å²	114.5	91%	0.909	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	2.9	173.3	-74.2	-164.5	177.6	-170.1	0.5	115.2	E283	E283-R285 PolarHBondContact O-N 2.98Å
286	V	47.7	Very low	59	Low	127 Å²	127	111.9 Å²	111.9	77%	0.77	56%	0.56	S	S	*	*	S	Bend	trans	-126.6	114.4	173.3	-174.6	0	0	0	0	109.8	E283 S288	E283-V286 PolarHBondContact O-N 2.93Å; V286-S288 PolarHBondContact O-N 3.43Å; V286-S288 VanDerWaalsContact O-N 3.09Å
287	V	52.7	Low	60.3	Low	147 Å²	147	116.3 Å²	116.3	89%	0.891	58%	0.58	S	S	*	*			trans	-50.1	110.6	178.5	177.9	0	0	0	0	111.1
288	S	42.2	Very low	61.4	Low	77 Å²	77	114.6 Å²	114.6	54%	0.538	57%	0.572	S	S	.	*			trans	-143.6	132.2	149.7	-170.2	0	0	0	0	107.6	V286 N290	V286-S288 PolarHBondContact O-N 3.43Å; V286-S288 VanDerWaalsContact O-N 3.09Å; S288-N290 PolarHBondContact O-N 2.91Å
289	R	53.9	Low	62.9	Low	237 Å²	237	109.2 Å²	109.2	89%	0.894	56%	0.555	S	S	*	*			trans	-66.1	84.1	179.1	-72.7	174.2	171.6	173.8	-3	108.4	P291	R289-P291 WeakPolarHBondContact O-CD 3.37Å
290	N	56.2	Low	64.5	Low	83 Å²	83	104.1 Å²	104.1	44%	0.444	54%	0.536	S	S	.	.			trans	-66.1	107.5	178.3	-75.5	-3.4	0	0	0	108.6	S288 L292 E299	S288-N290 PolarHBondContact O-N 2.91Å; N290-L292 PolarHBondContact O-N 3.34Å; N290-E299 HydrophobicContact CB-CG 4.44Å; N290-E299 PolarHBondContact ND2-OE1 3.4Å
291	P	69.9	Low	66	Low	50 Å²	50	107.5 Å²	107.5	33%	0.325	54%	0.54	S	S	.	.			trans	-81.4	113.8	-168.8	30.1	-28.8	0	0	0	108.5	R289 R300	R289-P291 WeakPolarHBondContact O-CD 3.37Å; P291-R300 WeakPolarHBondContact O-CD 3.46Å; P291-R300 WeakPolarHBondContact O-CG 3.37Å; P291-R300 PolarHBondContact O-NE 2.9Å
292	L	80.4	Confident	67.5	Low	108 Å²	108	108.4 Å²	108.4	57%	0.565	54%	0.535	S	S	*	.	B	Isolated β-bridge	trans	-59.8	149.4	177.2	-61.9	164.4	0	0	0	111.1	N290 E298	N290-L292 PolarHBondContact O-N 3.34Å; L292-E298 CarbonylContact C-O 3.57Å; L292-E298 WeakPolarHBondContact CA-O 3.33Å
293	C	85.9	Confident	69.1	Low	0 Å²	0	101.8 Å²	101.8	0%	0	50%	0.501	C	S	.	.			trans	-77.9	124.6	172	-176.6	0	0	0	0	108.8	L295 C296 L297 E298 R300	C293-L295 PolarHBondContact O-N 3.23Å; C293-C296 WeakPolarHBondContact CB-SG 3.31Å; C293-C296 VanDerWaalsContact SG-SG 3.68Å; C293-L297 WeakPolarHBondContact O-CA 3.34Å; C293-L297 PolarHBondContact O-N 3.43Å; C293-E298 PolarHBondContact N-O 3.44Å; C293-R300 HydrophobicContact CB-CG 3.7Å
294	T	84.2	Confident	71	Confident	72 Å²	72	96.4 Å²	96.4	44%	0.442	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.8	-179.6	56.3	0	0	0	0	114	F312 L329	T294-F312 WeakPolarHBondContact OG1-CE1 3.27Å; T294-L329 HydrophobicContact CG2-CD2 4.29Å
295	L	83.9	Confident	73.1	Confident	61 Å²	61	89.2 Å²	89.2	32%	0.319	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-40	177.3	-69.1	175.3	0	0	0	113.1	C293 F312 C316 W320 P328	C293-L295 PolarHBondContact O-N 3.23Å; L295-F312 HydrophobicContact CD1-CB 4.43Å; L295-F312 HydrophobicContact CD1-CD1 3.81Å; L295-F312 HydrophobicContact CD1-CE1 4.38Å; L295-F312 HydrophobicContact CD1-CG 4.27Å; L295-F312 HydrophobicContact CG-CD1 3.86Å; L295-F312 HydrophobicContact CG-CE1 4.21Å; L295-C316 HydrophobicContact CB-CB 3.78Å; L295-C316 HydrophobicContact CD1-CB 3.55Å; L295-C316 HydrophobicContact CG-CB 4.33Å; L295-W320 HydrophobicContact CD1-CB 4.5Å; L295-W320 HydrophobicContact CD2-CE3 4.36Å; L295-P328 HydrophobicContact CD1-CG 4.08Å; L295-P328 HydrophobicContact CD2-CB 3.93Å; L295-P328 HydrophobicContact CD2-CG 3.95Å; L295-P328 HydrophobicContact CG-CG 4.35Å
296	C	84.2	Confident	75.3	Confident	43 Å²	43	77.9 Å²	77.9	29%	0.291	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-5.9	179.5	62.9	0	0	0	0	113.8	C293 E298	C293-C296 WeakPolarHBondContact CB-SG 3.31Å; C293-C296 VanDerWaalsContact SG-SG 3.68Å; C296-E298 PolarHBondContact O-N 2.96Å
297	L	79	Confident	77.4	Confident	137 Å²	137	74.6 Å²	74.6	72%	0.717	38%	0.384	S	S	*	.	S	Bend	trans	56.5	17.1	-177	-53.9	176.6	0	0	0	114.3	C293	C293-L297 WeakPolarHBondContact O-CA 3.34Å; C293-L297 PolarHBondContact O-N 3.43Å
298	E	74.2	Confident	79.2	Confident	114 Å²	114	69.1 Å²	69.1	53%	0.533	35%	0.352	S	S	.	.	S	Bend	trans	-106.3	168.3	176.5	-65.3	179	-174.1	0	0	110.7	L292 C293 C296 R300	L292-E298 CarbonylContact C-O 3.57Å; L292-E298 WeakPolarHBondContact CA-O 3.33Å; C293-E298 PolarHBondContact N-O 3.44Å; C296-E298 PolarHBondContact O-N 2.96Å; E298-R300 PolarHBondContact O-N 3.02Å
299	E	79.3	Confident	81.4	Confident	87 Å²	87	68 Å²	68	41%	0.407	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-55.4	133.5	171.7	-172.9	174.6	-153.5	0	0	111.5	N290 R301	N290-E299 HydrophobicContact CB-CG 4.44Å; N290-E299 PolarHBondContact ND2-OE1 3.4Å; E299-R301 PolarHBondContact O-N 2.95Å
300	R	83.9	Confident	83.2	Confident	53 Å²	53	59.7 Å²	59.7	20%	0.2	32%	0.324	C	S	.	.			trans	-64.1	106.9	-174.7	-78.7	-173.1	-56.6	-152.2	21.1	111.6	P291 C293 E298 L311	P291-R300 WeakPolarHBondContact O-CD 3.46Å; P291-R300 WeakPolarHBondContact O-CG 3.37Å; P291-R300 PolarHBondContact O-NE 2.9Å; C293-R300 HydrophobicContact CB-CG 3.7Å; E298-R300 PolarHBondContact O-N 3.02Å; R300-L311 VanDerWaalsContact CD-O 3.3Å; R300-L311 WeakPolarHBondContact CD-O 3.42Å; R300-L311 VanDerWaalsContact NH1-CB 3.3Å; R300-L311 PolarHBondContact NH1-O 3.08Å; R300-L311 VanDerWaalsContact NH2-CD1 3.3Å
301	R	78.2	Confident	84.8	Confident	99 Å²	99	57 Å²	57	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-92.5	131.5	171.6	-62.9	172.3	-174.7	-104.5	-4.1	109.5	S276 E299 C313	S276-R301 VanDerWaalsContact CB-NH1 3.34Å; S276-R301 VanDerWaalsContact CB-NH2 3.31Å; S276-R301 PolarHBondContact OG-NH1 2.91Å; E299-R301 PolarHBondContact O-N 2.95Å; R301-C313 PolarHBondContact N-SG 3.17Å; R301-C313 VanDerWaalsContact N-SG 3.43Å; R301-C313 WeakPolarHBondContact O-CA 3.47Å; R301-C313 WeakPolarHBondContact O-CB 3.39Å
302	H	83.1	Confident	85.8	Confident	104 Å²	104	54.6 Å²	54.6	48%	0.481	29%	0.293	S	S	.	.	S	Bend	trans	54.7	64.2	179.7	-50.5	119.2	0	0	0	111.8	T304 W314 Y341	H302-T304 PolarHBondContact O-N 3.33Å; H302-T304 PolarHBondContact O-OG1 3.15Å; H302-W314 HydrophobicContact CB-CB 4.14Å; H302-W314 PolarHBondContact O-N 3.18Å; H302-Y341 HydrophobicContact CB-CE2 3.67Å; H302-Y341 WeakPolarHBondContact CB-OH 3.38Å; H302-Y341 PolarHBondContact CD2-OH 2.9Å
303	P	88.1	Confident	86.2	Confident	18 Å²	18	49.9 Å²	49.9	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	127.6	-171.6	23.6	-32.3	0	0	0	110.8	F312 L342 Y345	P303-F312 WeakPolarHBondContact CA-O 3.47Å; P303-L342 HydrophobicContact CG-CB 4.32Å; P303-L342 WeakPolarHBondContact O-CB 3.16Å; P303-L342 PolarHBondContact O-N 3.04Å; P303-Y345 HydrophobicContact CB-CD1 4.3Å; P303-Y345 HydrophobicContact CG-CD1 4.15Å; P303-Y345 HydrophobicContact CG-CG 4.44Å
304	T	90.4	Very high	86.4	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.8	178.8	-57	0	0	0	0	108.2	H302 L311 F312 W314 I317 L339 I340	H302-T304 PolarHBondContact O-N 3.33Å; H302-T304 PolarHBondContact O-OG1 3.15Å; T304-L311 WeakPolarHBondContact O-CA 3.38Å; T304-F312 PolarHBondContact N-O 3.18Å; T304-F312 PolarHBondContact O-N 2.96Å; T304-W314 HydrophobicContact CG2-CE3 3.85Å; T304-W314 HydrophobicContact CG2-CZ3 4.33Å; T304-W314 WeakPolarHBondContact OG1-CA 3.23Å; T304-W314 WeakPolarHBondContact OG1-CB 3.39Å; T304-W314 PolarHBondContact OG1-N 3.35Å; T304-I317 HydrophobicContact CG2-CG2 3.82Å; T304-L339 HydrophobicContact CG2-CB 3.98Å; T304-L339 HydrophobicContact CG2-CD2 4.17Å; T304-I340 WeakPolarHBondContact CA-O 3.2Å; T304-I340 WeakPolarHBondContact CG2-O 3.48Å
305	A	91.8	Very high	86.6	Confident	15 Å²	15	56.9 Å²	56.9	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.6	176.2	0	0	0	0	0	109.8	H310 L311 I340 L342	A305-H310 WeakPolarHBondContact CA-O 3.37Å; A305-L311 HydrophobicContact CB-CD2 3.89Å; A305-I340 PolarHBondContact N-O 3.27Å; A305-I340 PolarHBondContact O-N 2.95Å; A305-L342 HydrophobicContact CB-CD1 4.24Å; A305-L342 HydrophobicContact CB-CG 4.4Å
306	T	92.7	Very high	86.9	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.018	29%	0.287	C	S	.	.			trans	-74.3	159.7	161.7	55	0	0	0	0	109.5	C308 G309 H310 F312 I317 F334 L339	T306-C308 PolarHBondContact O-N 3.39Å; T306-C308 PolarHBondContact OG1-SG 3.03Å; T306-G309 PolarHBondContact O-N 2.75Å; T306-H310 PolarHBondContact N-O 3.22Å; T306-H310 WeakPolarHBondContact OG1-CB 3.46Å; T306-H310 PolarHBondContact OG1-N 3.03Å; T306-H310 PolarHBondContact OG1-O 3.02Å; T306-H310 VanDerWaalsContact OG1-O 3.13Å; T306-F312 HydrophobicContact CG2-CD2 4Å; T306-F312 HydrophobicContact CG2-CE2 3.82Å; T306-I317 HydrophobicContact CG2-CD1 3.84Å; T306-I317 HydrophobicContact CG2-CG1 3.89Å; T306-F334 HydrophobicContact CG2-CE1 3.76Å; T306-F334 HydrophobicContact CG2-CE2 4.35Å; T306-F334 HydrophobicContact CG2-CZ 3.45Å; T306-F334 VanDerWaalsContact CG2-CZ 3.45Å; T306-L339 HydrophobicContact CG2-CD2 3.99Å
307	P	90.6	Very high	87.2	Confident	58 Å²	58	53.4 Å²	53.4	38%	0.377	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.9	178.5	-28.7	38	0	0	0	114.1	G309 F334 K338	P307-G309 VanDerWaalsContact C-N 3.25Å; P307-G309 PolarHBondContact O-N 2.95Å; P307-F334 HydrophobicContact CG-CB 3.87Å; P307-F334 HydrophobicContact CG-CD1 4.41Å; P307-F334 HydrophobicContact CG-CD2 4.07Å; P307-F334 HydrophobicContact CG-CG 3.86Å; P307-K338 HydrophobicContact CG-CB 3.68Å; P307-K338 HydrophobicContact CG-CD 4.42Å
308	C	91.8	Very high	87.8	Confident	33 Å²	33	49 Å²	49	22%	0.223	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.8	175.9	66	0	0	0	0	114.7	T306 H310 C327 C330 E332	T306-C308 PolarHBondContact O-N 3.39Å; T306-C308 PolarHBondContact OG1-SG 3.03Å; C308-H310 PolarHBondContact SG-ND1 3.44Å; C308-C327 PolarHBondContact SG-SG 2.98Å; C308-C330 PolarHBondContact SG-SG 3.28Å; C308-E332 HydrophobicContact CB-CB 4.25Å; C308-E332 WeakPolarHBondContact CB-OE2 3.48Å
309	G	88.6	Confident	88.5	Confident	53 Å²	53	46.3 Å²	46.3	55%	0.546	25%	0.249	S	C	.	.	S	Bend	trans	85.9	-0	175.5	0	0	0	0	0	115.9	T306 P307	T306-G309 PolarHBondContact O-N 2.75Å; P307-G309 VanDerWaalsContact C-N 3.25Å; P307-G309 PolarHBondContact O-N 2.95Å
310	H	90.2	Very high	89	Confident	63 Å²	63	45.8 Å²	45.8	29%	0.292	24%	0.244	S	C	.	.			trans	-77.4	143.2	175.8	-68.7	101.2	0	0	0	112	A305 T306 C308 F312 L329	A305-H310 WeakPolarHBondContact CA-O 3.37Å; T306-H310 PolarHBondContact N-O 3.22Å; T306-H310 WeakPolarHBondContact OG1-CB 3.46Å; T306-H310 PolarHBondContact OG1-N 3.03Å; T306-H310 PolarHBondContact OG1-O 3.02Å; T306-H310 VanDerWaalsContact OG1-O 3.13Å; C308-H310 PolarHBondContact SG-ND1 3.44Å; H310-F312 HydrophobicContact CB-CD2 4.49Å; H310-F312 HydrophobicContact CB-CE2 3.55Å; H310-F312 HydrophobicContact CB-CZ 3.91Å; H310-L329 HydrophobicContact CB-CD1 4.05Å; H310-L329 WeakPolarHBondContact CD2-CD1 3.26Å
311	L	89.9	Confident	89.2	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.131	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.8	-169.4	-70.5	163.9	0	0	0	111.2	R300 T304 A305 L342 Y345	R300-L311 VanDerWaalsContact CD-O 3.3Å; R300-L311 WeakPolarHBondContact CD-O 3.42Å; R300-L311 VanDerWaalsContact NH1-CB 3.3Å; R300-L311 PolarHBondContact NH1-O 3.08Å; R300-L311 VanDerWaalsContact NH2-CD1 3.3Å; T304-L311 WeakPolarHBondContact O-CA 3.38Å; A305-L311 HydrophobicContact CB-CD2 3.89Å; L311-L342 HydrophobicContact CD2-CD1 3.46Å; L311-L342 VanDerWaalsContact CD2-CD1 3.46Å; L311-Y345 HydrophobicContact CD1-CE1 3.89Å; L311-Y345 WeakPolarHBondContact CD1-OH 3.39Å
312	F	90.6	Very high	89.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	171	-179.3	-53.9	-86.1	0	0	0	110.6	T294 L295 P303 T304 T306 H310 I317 P328 L329	T294-F312 WeakPolarHBondContact OG1-CE1 3.27Å; L295-F312 HydrophobicContact CD1-CB 4.43Å; L295-F312 HydrophobicContact CD1-CD1 3.81Å; L295-F312 HydrophobicContact CD1-CE1 4.38Å; L295-F312 HydrophobicContact CD1-CG 4.27Å; L295-F312 HydrophobicContact CG-CD1 3.86Å; L295-F312 HydrophobicContact CG-CE1 4.21Å; P303-F312 WeakPolarHBondContact CA-O 3.47Å; T304-F312 PolarHBondContact N-O 3.18Å; T304-F312 PolarHBondContact O-N 2.96Å; T306-F312 HydrophobicContact CG2-CD2 4Å; T306-F312 HydrophobicContact CG2-CE2 3.82Å; H310-F312 HydrophobicContact CB-CD2 4.49Å; H310-F312 HydrophobicContact CB-CE2 3.55Å; H310-F312 HydrophobicContact CB-CZ 3.91Å; F312-I317 HydrophobicContact CB-CB 3.92Å; F312-I317 HydrophobicContact CB-CG2 4.45Å; F312-I317 HydrophobicContact CD2-CB 4.34Å; F312-I317 HydrophobicContact CD2-CD1 3.83Å; F312-I317 HydrophobicContact CD2-CG1 4.13Å; F312-I317 HydrophobicContact CE2-CD1 4.08Å; F312-I317 HydrophobicContact CG-CB 4.35Å; F312-I317 HydrophobicContact CG-CD1 4.31Å; F312-P328 HydrophobicContact CE1-CB 4.12Å; F312-P328 HydrophobicContact CE1-CG 4.02Å; F312-P328 HydrophobicContact CE2-CG 4.46Å; F312-P328 HydrophobicContact CZ-CB 4.11Å; F312-P328 HydrophobicContact CZ-CG 3.91Å; F312-L329 HydrophobicContact CE1-CD1 3.86Å; F312-L329 HydrophobicContact CE1-CG 3.99Å; F312-L329 HydrophobicContact CZ-CB 4.33Å; F312-L329 HydrophobicContact CZ-CD1 3.62Å; F312-L329 HydrophobicContact CZ-CG 3.73Å
313	C	90.1	Very high	89.8	Confident	10 Å²	10	43.2 Å²	43.2	7%	0.068	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140	165.9	-56.8	0	0	0	0	109.9	R301 E315 C316 I317	R301-C313 PolarHBondContact N-SG 3.17Å; R301-C313 VanDerWaalsContact N-SG 3.43Å; R301-C313 WeakPolarHBondContact O-CA 3.47Å; R301-C313 WeakPolarHBondContact O-CB 3.39Å; C313-E315 VanDerWaalsContact C-N 3.29Å; C313-E315 PolarHBondContact O-N 3Å; C313-C316 HydrophobicContact CB-CB 4.06Å; C313-C316 PolarHBondContact O-N 3.4Å; C313-I317 WeakPolarHBondContact O-CG2 3.43Å; C313-I317 PolarHBondContact O-N 2.98Å
314	W	89.6	Confident	89.9	Confident	106 Å²	106	47.8 Å²	47.8	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-46.9	-51	175.4	170.6	-102.4	0	0	0	112.8	H302 T304 C316 I317 T318 L339 Y341	H302-W314 HydrophobicContact CB-CB 4.14Å; H302-W314 PolarHBondContact O-N 3.18Å; T304-W314 HydrophobicContact CG2-CE3 3.85Å; T304-W314 HydrophobicContact CG2-CZ3 4.33Å; T304-W314 WeakPolarHBondContact OG1-CA 3.23Å; T304-W314 WeakPolarHBondContact OG1-CB 3.39Å; T304-W314 PolarHBondContact OG1-N 3.35Å; W314-C316 VanDerWaalsContact C-N 3.33Å; W314-C316 PolarHBondContact O-N 2.88Å; W314-I317 WeakPolarHBondContact O-CG2 3.42Å; W314-I317 PolarHBondContact O-N 2.92Å; W314-T318 HydrophobicContact CD2-CG2 3.84Å; W314-T318 HydrophobicContact CE3-CG2 3.97Å; W314-T318 HydrophobicContact CH2-CG2 3.94Å; W314-T318 HydrophobicContact CZ2-CG2 3.79Å; W314-T318 HydrophobicContact CZ3-CG2 4.02Å; W314-T318 WeakPolarHBondContact O-CB 3.28Å; W314-T318 VanDerWaalsContact O-CG2 3.27Å; W314-T318 WeakPolarHBondContact O-CG2 3.43Å; W314-T318 PolarHBondContact O-N 2.94Å; W314-T318 PolarHBondContact O-OG1 3.45Å; W314-L339 HydrophobicContact CZ3-CB 4.39Å; W314-Y341 HydrophobicContact CB-CD2 4.13Å; W314-Y341 HydrophobicContact CB-CE2 4.01Å; W314-Y341 AromaticContact CD2-CD2 4Å; W314-Y341 HydrophobicContact CD2-CD2 4Å; W314-Y341 HydrophobicContact CD2-CE2 4.47Å; W314-Y341 AromaticContact CE3-CD2 3.8Å; W314-Y341 HydrophobicContact CE3-CD2 3.8Å; W314-Y341 HydrophobicContact CG-CD2 4.16Å; W314-Y341 HydrophobicContact CG-CE2 4.2Å
315	E	88.9	Confident	89.9	Confident	113 Å²	113	50.1 Å²	50.1	53%	0.528	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-36.5	-178.3	-63.6	-177.6	-177.6	0	0	112.2	C313 T318 A319	C313-E315 VanDerWaalsContact C-N 3.29Å; C313-E315 PolarHBondContact O-N 3Å; E315-T318 WeakPolarHBondContact CA-OG1 3.38Å; E315-T318 PolarHBondContact O-OG1 3.36Å; E315-A319 WeakPolarHBondContact O-CB 3.49Å; E315-A319 PolarHBondContact O-N 2.91Å; E315-A319 VanDerWaalsContact O-N 3.07Å
316	C	89.3	Confident	90	Very high	30 Å²	30	51.4 Å²	51.4	20%	0.203	30%	0.302	C	S	.	.	H	α-helix	trans	-70.4	-46.2	-179.6	-61.9	0	0	0	0	111.7	L295 C313 W314 W320	L295-C316 HydrophobicContact CB-CB 3.78Å; L295-C316 HydrophobicContact CD1-CB 3.55Å; L295-C316 HydrophobicContact CG-CB 4.33Å; C313-C316 HydrophobicContact CB-CB 4.06Å; C313-C316 PolarHBondContact O-N 3.4Å; W314-C316 VanDerWaalsContact C-N 3.33Å; W314-C316 PolarHBondContact O-N 2.88Å; C316-W320 WeakPolarHBondContact O-CB 3.25Å; C316-W320 PolarHBondContact O-N 3.39Å
317	I	91.6	Very high	90	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-74.2	-35.4	-177.6	-168	60.2	0	0	0	112	T304 T306 F312 C313 W314 W320 C321 P328 L339	T304-I317 HydrophobicContact CG2-CG2 3.82Å; T306-I317 HydrophobicContact CG2-CD1 3.84Å; T306-I317 HydrophobicContact CG2-CG1 3.89Å; F312-I317 HydrophobicContact CB-CB 3.92Å; F312-I317 HydrophobicContact CB-CG2 4.45Å; F312-I317 HydrophobicContact CD2-CB 4.34Å; F312-I317 HydrophobicContact CD2-CD1 3.83Å; F312-I317 HydrophobicContact CD2-CG1 4.13Å; F312-I317 HydrophobicContact CE2-CD1 4.08Å; F312-I317 HydrophobicContact CG-CB 4.35Å; F312-I317 HydrophobicContact CG-CD1 4.31Å; C313-I317 WeakPolarHBondContact O-CG2 3.43Å; C313-I317 PolarHBondContact O-N 2.98Å; W314-I317 WeakPolarHBondContact O-CG2 3.42Å; W314-I317 PolarHBondContact O-N 2.92Å; I317-W320 PolarHBondContact O-N 3.27Å; I317-C321 WeakPolarHBondContact O-CB 3.47Å; I317-C321 PolarHBondContact O-N 3.24Å; I317-C321 PolarHBondContact O-SG 3Å; I317-P328 HydrophobicContact CD1-CG 3.87Å; I317-L339 HydrophobicContact CG1-CD1 4.43Å; I317-L339 HydrophobicContact CG1-CD2 3.73Å; I317-L339 HydrophobicContact CG2-CD1 4.22Å; I317-L339 HydrophobicContact CG2-CD2 4.21Å
318	T	90.3	Very high	89.9	Confident	45 Å²	45	50 Å²	50	28%	0.276	29%	0.293	S	S	.	.	H	α-helix	trans	-67.5	-41.1	175	51.6	0	0	0	0	111.9	W314 E315 C321 S322 L339	W314-T318 HydrophobicContact CD2-CG2 3.84Å; W314-T318 HydrophobicContact CE3-CG2 3.97Å; W314-T318 HydrophobicContact CH2-CG2 3.94Å; W314-T318 HydrophobicContact CZ2-CG2 3.79Å; W314-T318 HydrophobicContact CZ3-CG2 4.02Å; W314-T318 WeakPolarHBondContact O-CB 3.28Å; W314-T318 VanDerWaalsContact O-CG2 3.27Å; W314-T318 WeakPolarHBondContact O-CG2 3.43Å; W314-T318 PolarHBondContact O-N 2.94Å; W314-T318 PolarHBondContact O-OG1 3.45Å; E315-T318 WeakPolarHBondContact CA-OG1 3.38Å; E315-T318 PolarHBondContact O-OG1 3.36Å; T318-C321 PolarHBondContact O-N 3.02Å; T318-S322 PolarHBondContact O-N 3Å; T318-L339 HydrophobicContact CG2-CD1 3.95Å
319	A	89.4	Confident	89.8	Confident	57 Å²	57	52.6 Å²	52.6	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-43.2	172.3	0	0	0	0	0	111.6	E315 S322	E315-A319 WeakPolarHBondContact O-CB 3.49Å; E315-A319 PolarHBondContact O-N 2.91Å; E315-A319 VanDerWaalsContact O-N 3.07Å; A319-S322 WeakPolarHBondContact O-CB 3.47Å; A319-S322 PolarHBondContact O-N 2.96Å; A319-S322 PolarHBondContact O-OG 3.45Å
320	W	90.1	Very high	89.9	Confident	77 Å²	77	52.8 Å²	52.8	29%	0.292	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-51.1	174.6	179.7	-91.3	0	0	0	111.9	L295 C316 I317 S322 S323 K324 E326 P328	L295-W320 HydrophobicContact CD1-CB 4.5Å; L295-W320 HydrophobicContact CD2-CE3 4.36Å; C316-W320 WeakPolarHBondContact O-CB 3.25Å; C316-W320 PolarHBondContact O-N 3.39Å; I317-W320 PolarHBondContact O-N 3.27Å; W320-S322 PolarHBondContact O-N 3.19Å; W320-S322 VanDerWaalsContact O-N 3.15Å; W320-S323 PolarHBondContact O-N 3.42Å; W320-S323 PolarHBondContact O-OG 3.13Å; W320-K324 HydrophobicContact CZ2-CD 4.27Å; W320-K324 PolarHBondContact O-N 3.09Å; W320-E326 PolarHBondContact NE1-O 2.92Å; W320-P328 HydrophobicContact CD2-CB 4.49Å; W320-P328 HydrophobicContact CD2-CG 3.95Å; W320-P328 HydrophobicContact CG-CG 3.84Å; W320-P328 HydrophobicContact CZ2-CB 4.47Å
321	C	88.8	Confident	90	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-22	180	-70.4	0	0	0	0	113.9	I317 T318 S323 K324 P336	I317-C321 WeakPolarHBondContact O-CB 3.47Å; I317-C321 PolarHBondContact O-N 3.24Å; I317-C321 PolarHBondContact O-SG 3Å; T318-C321 PolarHBondContact O-N 3.02Å; C321-S323 VanDerWaalsContact C-N 3.26Å; C321-S323 PolarHBondContact O-N 3.23Å; C321-K324 WeakPolarHBondContact CA-O 3.45Å; C321-P336 HydrophobicContact CB-CB 4.3Å
322	S	87.1	Confident	90.1	Very high	105 Å²	105	62.3 Å²	62.3	73%	0.734	33%	0.332	S	S	*	.	H	α-helix	trans	-68.2	-25.8	171.9	78.9	0	0	0	0	113.2	T318 A319 W320	T318-S322 PolarHBondContact O-N 3Å; A319-S322 WeakPolarHBondContact O-CB 3.47Å; A319-S322 PolarHBondContact O-N 2.96Å; A319-S322 PolarHBondContact O-OG 3.45Å; W320-S322 PolarHBondContact O-N 3.19Å; W320-S322 VanDerWaalsContact O-N 3.15Å
323	S	87.1	Confident	90.2	Very high	86 Å²	86	70.6 Å²	70.6	60%	0.601	37%	0.368	S	S	*	.	H	α-helix	trans	-98.3	-42.8	177.8	70.3	0	0	0	0	112.6	W320 C321	W320-S323 PolarHBondContact O-N 3.42Å; W320-S323 PolarHBondContact O-OG 3.13Å; C321-S323 VanDerWaalsContact C-N 3.26Å; C321-S323 PolarHBondContact O-N 3.23Å
324	K	88.7	Confident	90.3	Very high	113 Å²	113	70.6 Å²	70.6	49%	0.491	37%	0.367	S	S	.	.			trans	-143.4	116.5	-178.3	-62.4	-176	-179.3	-178.3	0	109.8	W320 C321 E326	W320-K324 HydrophobicContact CZ2-CD 4.27Å; W320-K324 PolarHBondContact O-N 3.09Å; C321-K324 WeakPolarHBondContact CA-O 3.45Å; K324-E326 HydrophobicContact CB-CG 4.06Å; K324-E326 WeakPolarHBondContact CD-OE1 3.1Å; K324-E326 PolarHBondContact O-N 3.38Å
325	A	90.4	Very high	90.3	Very high	49 Å²	49	68.1 Å²	68.1	41%	0.405	36%	0.364	S	S	.	.	S	Bend	trans	-76.9	57.1	179	0	0	0	0	0	112.4	K333 F334	A325-K333 WeakPolarHBondContact O-CA 3.42Å; A325-F334 PolarHBondContact O-N 3.34Å; A325-F334 VanDerWaalsContact O-N 3.08Å
326	E	93.4	Very high	90.2	Very high	43 Å²	43	66.1 Å²	66.1	20%	0.201	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-143.3	156.8	-179.5	70.2	-172.2	-178.6	0	0	111.7	W320 K324 E332 K333	W320-E326 PolarHBondContact NE1-O 2.92Å; K324-E326 HydrophobicContact CB-CG 4.06Å; K324-E326 WeakPolarHBondContact CD-OE1 3.1Å; K324-E326 PolarHBondContact O-N 3.38Å; E326-E332 CarbonylContact C-O 3.36Å; E326-E332 VanDerWaalsContact CA-O 3.28Å; E326-E332 WeakPolarHBondContact CA-O 3.46Å; E326-K333 HydrophobicContact CB-CG 4.36Å
327	C	92.9	Very high	90.3	Very high	0 Å²	0	73 Å²	73	0%	0	39%	0.39	C	S	.	.			trans	-70.4	130	175.7	-178.2	0	0	0	0	111.2	C308 L329 C330 R331 E332 F334	C308-C327 PolarHBondContact SG-SG 2.98Å; C327-L329 PolarHBondContact O-N 3.23Å; C327-L329 PolarHBondContact SG-N 3.16Å; C327-C330 VanDerWaalsContact CB-SG 3.53Å; C327-C330 VanDerWaalsContact SG-SG 3.64Å; C327-R331 WeakPolarHBondContact O-CA 3.35Å; C327-R331 PolarHBondContact O-N 3.1Å; C327-E332 PolarHBondContact N-O 3.47Å; C327-F334 HydrophobicContact CB-CE1 3.92Å
328	P	90.2	Very high	90.2	Very high	32 Å²	32	79.1 Å²	79.1	21%	0.208	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26	176.5	-22.4	29.4	0	0	0	115.1	L295 F312 I317 W320	L295-P328 HydrophobicContact CD1-CG 4.08Å; L295-P328 HydrophobicContact CD2-CB 3.93Å; L295-P328 HydrophobicContact CD2-CG 3.95Å; L295-P328 HydrophobicContact CG-CG 4.35Å; F312-P328 HydrophobicContact CE1-CB 4.12Å; F312-P328 HydrophobicContact CE1-CG 4.02Å; F312-P328 HydrophobicContact CE2-CG 4.46Å; F312-P328 HydrophobicContact CZ-CB 4.11Å; F312-P328 HydrophobicContact CZ-CG 3.91Å; I317-P328 HydrophobicContact CD1-CG 3.87Å; W320-P328 HydrophobicContact CD2-CB 4.49Å; W320-P328 HydrophobicContact CD2-CG 3.95Å; W320-P328 HydrophobicContact CG-CG 3.84Å; W320-P328 HydrophobicContact CZ2-CB 4.47Å
329	L	88.3	Confident	90.3	Very high	86 Å²	86	77.8 Å²	77.8	45%	0.45	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-51.6	-175.1	-72.3	172.4	0	0	0	112.7	T294 H310 F312 C327	T294-L329 HydrophobicContact CG2-CD2 4.29Å; H310-L329 HydrophobicContact CB-CD1 4.05Å; H310-L329 WeakPolarHBondContact CD2-CD1 3.26Å; F312-L329 HydrophobicContact CE1-CD1 3.86Å; F312-L329 HydrophobicContact CE1-CG 3.99Å; F312-L329 HydrophobicContact CZ-CB 4.33Å; F312-L329 HydrophobicContact CZ-CD1 3.62Å; F312-L329 HydrophobicContact CZ-CG 3.73Å; C327-L329 PolarHBondContact O-N 3.23Å; C327-L329 PolarHBondContact SG-N 3.16Å
330	C	90.9	Very high	90.4	Very high	58 Å²	58	80 Å²	80	39%	0.392	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-2.9	-176.7	65.1	0	0	0	0	114.7	C308 C327 E332	C308-C330 PolarHBondContact SG-SG 3.28Å; C327-C330 VanDerWaalsContact CB-SG 3.53Å; C327-C330 VanDerWaalsContact SG-SG 3.64Å; C330-E332 PolarHBondContact O-N 3.44Å; C330-E332 VanDerWaalsContact O-N 3.1Å
331	R	92.2	Very high	90.3	Very high	191 Å²	191	80.6 Å²	80.6	72%	0.721	41%	0.414	S	S	*	.			trans	59.4	17.3	-179.3	-53	-179	-177.6	178.5	1	115.4	C327 K333	C327-R331 WeakPolarHBondContact O-CA 3.35Å; C327-R331 PolarHBondContact O-N 3.1Å; R331-K333 PolarHBondContact O-N 3.3Å
332	E	93.1	Very high	90.2	Very high	97 Å²	97	82.2 Å²	82.2	45%	0.453	42%	0.421	S	S	.	.			trans	-64.5	128.5	171.9	-170.3	175.8	148.4	0	0	110.1	C308 E326 C327 C330 F334	C308-E332 HydrophobicContact CB-CB 4.25Å; C308-E332 WeakPolarHBondContact CB-OE2 3.48Å; E326-E332 CarbonylContact C-O 3.36Å; E326-E332 VanDerWaalsContact CA-O 3.28Å; E326-E332 WeakPolarHBondContact CA-O 3.46Å; C327-E332 PolarHBondContact N-O 3.47Å; C330-E332 PolarHBondContact O-N 3.44Å; C330-E332 VanDerWaalsContact O-N 3.1Å; E332-F334 WeakPolarHBondContact O-CD1 3.5Å
333	K	92.9	Very high	89.6	Confident	174 Å²	174	87 Å²	87	76%	0.757	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-82.5	128.1	-177.5	-64.8	-178.9	-177.8	177.9	0	110.3	A325 E326 R331	A325-K333 WeakPolarHBondContact O-CA 3.42Å; E326-K333 HydrophobicContact CB-CG 4.36Å; R331-K333 PolarHBondContact O-N 3.3Å
334	F	91.4	Very high	88.5	Confident	9 Å²	9	91.7 Å²	91.7	4%	0.039	44%	0.435	C	S	.	.			trans	-149	146.4	176.2	62.8	-91.8	0	0	0	111.4	T306 P307 A325 C327 E332 L339	T306-F334 HydrophobicContact CG2-CE1 3.76Å; T306-F334 HydrophobicContact CG2-CE2 4.35Å; T306-F334 HydrophobicContact CG2-CZ 3.45Å; T306-F334 VanDerWaalsContact CG2-CZ 3.45Å; P307-F334 HydrophobicContact CG-CB 3.87Å; P307-F334 HydrophobicContact CG-CD1 4.41Å; P307-F334 HydrophobicContact CG-CD2 4.07Å; P307-F334 HydrophobicContact CG-CG 3.86Å; A325-F334 PolarHBondContact O-N 3.34Å; A325-F334 VanDerWaalsContact O-N 3.08Å; C327-F334 HydrophobicContact CB-CE1 3.92Å; E332-F334 WeakPolarHBondContact O-CD1 3.5Å; F334-L339 HydrophobicContact CD2-CD2 4.5Å; F334-L339 HydrophobicContact CE2-CD2 3.48Å; F334-L339 VanDerWaalsContact CE2-CD2 3.48Å; F334-L339 HydrophobicContact CE2-CG 3.9Å; F334-L339 HydrophobicContact CZ-CD2 3.89Å
335	P	89.1	Confident	87.3	Confident	55 Å²	55	92.1 Å²	92.1	36%	0.357	44%	0.435	S	S	.	.			trans	-70.8	145.5	174	29.1	-34	0	0	0	110.8	Q337 K338	P335-Q337 PolarHBondContact O-N 2.85Å; P335-K338 HydrophobicContact CG-CD 4.05Å; P335-K338 HydrophobicContact CG-CG 4Å; P335-K338 PolarHBondContact O-N 2.93Å
336	P	87.9	Confident	85.6	Confident	70 Å²	70	102.2 Å²	102.2	46%	0.455	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.4	-174.2	23.7	-34.4	0	0	0	114.1	C321 K338 L339	C321-P336 HydrophobicContact CB-CB 4.3Å; P336-K338 PolarHBondContact O-N 3.14Å; P336-L339 WeakPolarHBondContact O-CB 3.39Å; P336-L339 WeakPolarHBondContact O-CG 3.43Å; P336-L339 PolarHBondContact O-N 3.49Å
337	Q	90.3	Very high	85.2	Confident	174 Å²	174	105.2 Å²	105.2	81%	0.813	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-66.8	-19.6	176.6	-60.7	137.8	-0.6	0	0	113.1	P335 L339	P335-Q337 PolarHBondContact O-N 2.85Å; Q337-L339 VanDerWaalsContact C-N 3.29Å
338	K	90.4	Very high	84.8	Confident	129 Å²	129	110.7 Å²	110.7	56%	0.561	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-87	5	178.3	-70	-169.8	178.9	-172.8	0	113.5	P307 P335 P336 I340	P307-K338 HydrophobicContact CG-CB 3.68Å; P307-K338 HydrophobicContact CG-CD 4.42Å; P335-K338 HydrophobicContact CG-CD 4.05Å; P335-K338 HydrophobicContact CG-CG 4Å; P335-K338 PolarHBondContact O-N 2.93Å; P336-K338 PolarHBondContact O-N 3.14Å; K338-I340 PolarHBondContact O-N 3.29Å
339	L	91.7	Very high	84.5	Confident	18 Å²	18	115.1 Å²	115.1	9%	0.094	52%	0.517	C	S	.	.			trans	-70.6	125.3	172.8	-71.5	173.1	0	0	0	109.9	T304 T306 W314 I317 T318 F334 P336 Q337	T304-L339 HydrophobicContact CG2-CB 3.98Å; T304-L339 HydrophobicContact CG2-CD2 4.17Å; T306-L339 HydrophobicContact CG2-CD2 3.99Å; W314-L339 HydrophobicContact CZ3-CB 4.39Å; I317-L339 HydrophobicContact CG1-CD1 4.43Å; I317-L339 HydrophobicContact CG1-CD2 3.73Å; I317-L339 HydrophobicContact CG2-CD1 4.22Å; I317-L339 HydrophobicContact CG2-CD2 4.21Å; T318-L339 HydrophobicContact CG2-CD1 3.95Å; F334-L339 HydrophobicContact CD2-CD2 4.5Å; F334-L339 HydrophobicContact CE2-CD2 3.48Å; F334-L339 VanDerWaalsContact CE2-CD2 3.48Å; F334-L339 HydrophobicContact CE2-CG 3.9Å; F334-L339 HydrophobicContact CZ-CD2 3.89Å; P336-L339 WeakPolarHBondContact O-CB 3.39Å; P336-L339 WeakPolarHBondContact O-CG 3.43Å; P336-L339 PolarHBondContact O-N 3.49Å; Q337-L339 VanDerWaalsContact C-N 3.29Å
340	I	91.4	Very high	84.2	Confident	103 Å²	103	116.8 Å²	116.8	53%	0.528	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.5	-179.5	-57	176.3	0	0	0	108.6	T304 A305 K338 L342	T304-I340 WeakPolarHBondContact CA-O 3.2Å; T304-I340 WeakPolarHBondContact CG2-O 3.48Å; A305-I340 PolarHBondContact N-O 3.27Å; A305-I340 PolarHBondContact O-N 2.95Å; K338-I340 PolarHBondContact O-N 3.29Å; I340-L342 HydrophobicContact CG2-CD2 4.13Å; I340-L342 PolarHBondContact O-N 3.29Å
341	Y	88.8	Confident	83.8	Confident	90 Å²	90	120.5 Å²	120.5	35%	0.353	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.9	174.1	-174	-84.5	0	0	0	110	H302 W314 R343	H302-Y341 HydrophobicContact CB-CE2 3.67Å; H302-Y341 WeakPolarHBondContact CB-OH 3.38Å; H302-Y341 PolarHBondContact CD2-OH 2.9Å; W314-Y341 HydrophobicContact CB-CD2 4.13Å; W314-Y341 HydrophobicContact CB-CE2 4.01Å; W314-Y341 AromaticContact CD2-CD2 4Å; W314-Y341 HydrophobicContact CD2-CD2 4Å; W314-Y341 HydrophobicContact CD2-CE2 4.47Å; W314-Y341 AromaticContact CE3-CD2 3.8Å; W314-Y341 HydrophobicContact CE3-CD2 3.8Å; W314-Y341 HydrophobicContact CG-CD2 4.16Å; W314-Y341 HydrophobicContact CG-CE2 4.2Å; Y341-R343 HydrophobicContact CD1-CG 3.87Å; Y341-R343 HydrophobicContact CE1-CG 3.81Å
342	L	85.8	Confident	83.3	Confident	45 Å²	45	115.8 Å²	115.8	24%	0.236	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-89.1	124.2	-179.2	-57.1	178.2	0	0	0	110.5	P303 A305 L311 I340 Y345	P303-L342 HydrophobicContact CG-CB 4.32Å; P303-L342 WeakPolarHBondContact O-CB 3.16Å; P303-L342 PolarHBondContact O-N 3.04Å; A305-L342 HydrophobicContact CB-CD1 4.24Å; A305-L342 HydrophobicContact CB-CG 4.4Å; L311-L342 HydrophobicContact CD2-CD1 3.46Å; L311-L342 VanDerWaalsContact CD2-CD1 3.46Å; I340-L342 HydrophobicContact CG2-CD2 4.13Å; I340-L342 PolarHBondContact O-N 3.29Å; L342-Y345 HydrophobicContact CD1-CD2 3.94Å; L342-Y345 HydrophobicContact CD1-CE2 4.4Å; L342-Y345 HydrophobicContact CD1-CG 4.01Å
343	R	75.6	Confident	82.6	Confident	204 Å²	204	117.1 Å²	117.1	77%	0.77	52%	0.52	S	S	*	.	S	Bend	trans	-100	134.5	171.3	-65.8	-176.6	179	-173.5	0.9	108.9	Y341 Y345	Y341-R343 HydrophobicContact CD1-CG 3.87Å; Y341-R343 HydrophobicContact CE1-CG 3.81Å; R343-Y345 VanDerWaalsContact C-N 3.32Å; R343-Y345 PolarHBondContact O-N 3Å
344	H	64	Low	81.8	Confident	186 Å²	186	112.8 Å²	112.8	86%	0.861	50%	0.502	S	S	*	.	S	Bend	trans	66	20.7	179	-49.8	-74.5	0	0	0	116.8	R346	H344-R346 PolarHBondContact O-N 3.15Å
345	Y	63.4	Low	80.9	Confident	122 Å²	122	121.4 Å²	121.4	48%	0.478	54%	0.541	S	S	.	.			trans	-73.6	111.1	170.7	-169	-98.1	0	0	0	109.3	P303 L311 L342 R343	P303-Y345 HydrophobicContact CB-CD1 4.3Å; P303-Y345 HydrophobicContact CG-CD1 4.15Å; P303-Y345 HydrophobicContact CG-CG 4.44Å; L311-Y345 HydrophobicContact CD1-CE1 3.89Å; L311-Y345 WeakPolarHBondContact CD1-OH 3.39Å; L342-Y345 HydrophobicContact CD1-CD2 3.94Å; L342-Y345 HydrophobicContact CD1-CE2 4.4Å; L342-Y345 HydrophobicContact CD1-CG 4.01Å; R343-Y345 VanDerWaalsContact C-N 3.32Å; R343-Y345 PolarHBondContact O-N 3Å
346	R	53	Low	80.2	Confident	261 Å²	261	127.5 Å²	127.5	99%	0.985	56%	0.558	S	S	*	*			trans	-98.2	0	175.4	-81.8	-172.6	174.8	169.5	-0.6	110.7	H344	H344-R346 PolarHBondContact O-N 3.15Å

Retrieved 346 of 346 residues in 2186 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).