A0A061I754_CRIGR Loading...

Syntaxin-binding protein 2

AlphaFold DB , UniProt , Accession A0A061I754, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Stxbp2, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	75.1	Confident	204 Å²	204	50.8 Å²	50.8	100%	1.005	33%	0.326	S	S	*	.				0	118.2	0	-72.3	176.4	-155.9	0	0	106.1
2	A	30.3	Very low	76.7	Confident	87 Å²	87	54.6 Å²	54.6	72%	0.719	34%	0.336	S	S	*	.			trans	-59	154.1	-178	0	0	0	0	0	111.4	S4	A2-S4 PolarHBondContact O-N 3.18Å
3	P	47.5	Very low	78	Confident	49 Å²	49	54.6 Å²	54.6	32%	0.318	33%	0.329	S	S	.	.			trans	-51.5	138.5	162.7	23.6	-31.7	0	0	0	108.6	G5 A530	P3-G5 PolarHBondContact O-N 2.8Å; P3-A530 HydrophobicContact CB-CB 4.21Å
4	S	69.9	Low	79.1	Confident	75 Å²	75	50.8 Å²	50.8	52%	0.524	31%	0.306	S	S	.	.			trans	-56	112.8	178	52.5	0	0	0	0	108.8	A2	A2-S4 PolarHBondContact O-N 3.18Å
5	G	87.8	Confident	80.1	Confident	17 Å²	17	49 Å²	49	18%	0.175	29%	0.294	C	S	.	.			trans	-60.2	169.8	-177.1	0	0	0	0	0	113.1	P3 K7 A8 V9 A142	P3-G5 PolarHBondContact O-N 2.8Å; G5-K7 PolarHBondContact O-N 3.1Å; G5-K7 VanDerWaalsContact O-N 3.12Å; G5-A8 WeakPolarHBondContact O-CB 3.43Å; G5-A8 PolarHBondContact O-N 3.1Å; G5-V9 PolarHBondContact O-N 3.21Å; G5-V9 VanDerWaalsContact O-N 3.14Å; G5-A142 WeakPolarHBondContact CA-O 3.25Å
6	L	94.4	Very high	80.8	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-50.6	-40.9	-176	-72.7	172.4	0	0	0	113.5	A8 V9 V10 F137 P139 A142 F145 L179 L183 L564	L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 2.84Å; L6-V9 PolarHBondContact O-N 2.85Å; L6-V10 WeakPolarHBondContact O-CB 3.32Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 2.94Å; L6-F137 HydrophobicContact CD2-CE2 4.43Å; L6-P139 HydrophobicContact CB-CB 3.77Å; L6-A142 WeakPolarHBondContact CG-O 3.43Å; L6-A142 PolarHBondContact N-O 2.89Å; L6-F145 HydrophobicContact CD1-CB 4.05Å; L6-L179 HydrophobicContact CD2-CD1 4.11Å; L6-L183 HydrophobicContact CD2-CD1 4.32Å; L6-L183 HydrophobicContact CD2-CD2 3.91Å; L6-L564 HydrophobicContact CD1-CD2 4.32Å; L6-L564 HydrophobicContact CD2-CD1 4.23Å; L6-L564 HydrophobicContact CG-CD2 4.34Å
7	K	94.3	Very high	81.4	Confident	33 Å²	33	48.1 Å²	48.1	14%	0.143	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-43.7	176.6	-71.1	-173.9	177.3	180	0	112.6	G5 G11 S43 C44 P139 Y140 E283	G5-K7 PolarHBondContact O-N 3.1Å; G5-K7 VanDerWaalsContact O-N 3.12Å; K7-G11 WeakPolarHBondContact O-CA 3.22Å; K7-G11 PolarHBondContact O-N 2.99Å; K7-S43 WeakPolarHBondContact CD-O 3.44Å; K7-S43 VanDerWaalsContact CE-O 3.24Å; K7-S43 WeakPolarHBondContact CE-O 3.37Å; K7-C44 HydrophobicContact CB-CB 4.31Å; K7-C44 VanDerWaalsContact O-CB 3.27Å; K7-C44 WeakPolarHBondContact O-CB 3.43Å; K7-P139 WeakPolarHBondContact CE-O 3.45Å; K7-P139 HydrophobicContact CG-CB 3.97Å; K7-P139 HydrophobicContact CG-CG 4.19Å; K7-P139 WeakPolarHBondContact CG-O 3.39Å; K7-Y140 WeakPolarHBondContact CE-O 3.45Å; K7-Y140 PolarHBondContact NZ-O 3.33Å; K7-Y140 VanDerWaalsContact NZ-O 3.11Å; K7-E283 HydrophobicContact CD-CB 4.34Å; K7-E283 WeakPolarHBondContact CD-OE2 3.41Å
8	A	92.8	Very high	82.1	Confident	54 Å²	54	45.4 Å²	45.4	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-40.9	178.6	0	0	0	0	0	111.8	G5 L6 E12	G5-A8 WeakPolarHBondContact O-CB 3.43Å; G5-A8 PolarHBondContact O-N 3.1Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-A8 PolarHBondContact O-N 2.84Å; A8-E12 WeakPolarHBondContact O-CB 3.3Å; A8-E12 PolarHBondContact O-N 2.84Å
9	V	93.7	Very high	82.7	Confident	32 Å²	32	43.1 Å²	43.1	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-48.9	177.5	175.9	0	0	0	0	110.9	G5 L6 K13 T182 L183	G5-V9 PolarHBondContact O-N 3.21Å; G5-V9 VanDerWaalsContact O-N 3.14Å; L6-V9 PolarHBondContact O-N 2.85Å; V9-K13 WeakPolarHBondContact O-CB 3.45Å; V9-K13 PolarHBondContact O-N 3.26Å; V9-K13 VanDerWaalsContact O-N 3.08Å; V9-T182 HydrophobicContact CG1-CG2 3.87Å; V9-L183 HydrophobicContact CG1-CD2 4.37Å
10	V	94.9	Very high	83.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.2	-44.3	-179.8	174.6	0	0	0	0	111	L6 E12 K13 I14 I40 C44 L135 F137 P139	L6-V10 WeakPolarHBondContact O-CB 3.32Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 2.94Å; V10-E12 PolarHBondContact O-N 2.96Å; V10-K13 PolarHBondContact O-N 2.92Å; V10-I14 HydrophobicContact CG1-CD1 3.98Å; V10-I14 WeakPolarHBondContact O-CG1 3.25Å; V10-I14 PolarHBondContact O-N 3Å; V10-I40 HydrophobicContact CG1-CG2 4.08Å; V10-C44 HydrophobicContact CB-CB 4.5Å; V10-C44 HydrophobicContact CG1-CB 4.44Å; V10-L135 HydrophobicContact CB-CD1 4.42Å; V10-L135 HydrophobicContact CG1-CD1 3.86Å; V10-L135 HydrophobicContact CG1-CD2 3.66Å; V10-L135 HydrophobicContact CG1-CG 4.3Å; V10-L135 HydrophobicContact CG2-CD1 3.83Å; V10-F137 HydrophobicContact CG2-CE2 3.78Å; V10-F137 HydrophobicContact CG2-CZ 3.59Å; V10-P139 HydrophobicContact CB-CB 4.38Å; V10-P139 HydrophobicContact CB-CG 3.93Å; V10-P139 HydrophobicContact CG1-CG 4.05Å; V10-P139 HydrophobicContact CG2-CB 4.04Å; V10-P139 HydrophobicContact CG2-CG 4.02Å
11	G	94.3	Very high	83.9	Confident	4 Å²	4	46.7 Å²	46.7	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-48.9	177.4	0	0	0	0	0	111.9	K7 K13 I14 L15	K7-G11 WeakPolarHBondContact O-CA 3.22Å; K7-G11 PolarHBondContact O-N 2.99Å; G11-K13 PolarHBondContact O-N 3.07Å; G11-I14 PolarHBondContact O-N 3.06Å; G11-L15 WeakPolarHBondContact O-CB 3.27Å; G11-L15 VanDerWaalsContact O-CG 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.18Å; G11-L15 PolarHBondContact O-N 2.87Å
12	E	93.4	Very high	87	Confident	96 Å²	96	37.5 Å²	37.5	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-65.2	-38.4	177.2	-173.6	59.2	-153.7	0	0	111.8	A8 V10 I14 S16 R20	A8-E12 WeakPolarHBondContact O-CB 3.3Å; A8-E12 PolarHBondContact O-N 2.84Å; V10-E12 PolarHBondContact O-N 2.96Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 2.96Å; E12-S16 VanDerWaalsContact O-CB 3.25Å; E12-S16 WeakPolarHBondContact O-CB 3.32Å; E12-S16 PolarHBondContact O-N 3.21Å; E12-S16 PolarHBondContact O-OG 3.46Å; E12-S16 WeakPolarHBondContact OE1-CB 3.25Å; E12-R20 IonicContact OE1-NH1 3.31Å; E12-R20 PolarHBondContact OE1-NH1 3.31Å
13	K	93.4	Very high	90	Very high	55 Å²	55	37.2 Å²	37.2	24%	0.239	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-41.2	176.4	-170.1	174.9	-175.7	-173.4	0	111.7	V9 V10 G11 G17 I133 H134 T182	V9-K13 WeakPolarHBondContact O-CB 3.45Å; V9-K13 PolarHBondContact O-N 3.26Å; V9-K13 VanDerWaalsContact O-N 3.08Å; V10-K13 PolarHBondContact O-N 2.92Å; G11-K13 PolarHBondContact O-N 3.07Å; K13-G17 VanDerWaalsContact O-CA 3.25Å; K13-G17 WeakPolarHBondContact O-CA 3.45Å; K13-G17 PolarHBondContact O-N 2.97Å; K13-I133 HydrophobicContact CD-CG2 4.19Å; K13-I133 WeakPolarHBondContact CE-O 3.46Å; K13-I133 HydrophobicContact CG-CG2 4.17Å; K13-I133 PolarHBondContact NZ-O 3.4Å; K13-H134 PolarHBondContact NZ-O 2.98Å; K13-T182 HydrophobicContact CD-CG2 3.95Å; K13-T182 PolarHBondContact NZ-OG1 3.28Å
14	I	94.4	Very high	92.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-74.1	-50.7	177.3	-61.7	169.8	0	0	0	111.2	V10 G11 E12 S16 V18 I19 I40 L41 L76 L135	V10-I14 HydrophobicContact CG1-CD1 3.98Å; V10-I14 WeakPolarHBondContact O-CG1 3.25Å; V10-I14 PolarHBondContact O-N 3Å; G11-I14 PolarHBondContact O-N 3.06Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 2.96Å; I14-S16 PolarHBondContact O-N 3.34Å; I14-V18 HydrophobicContact CG2-CB 4.32Å; I14-V18 HydrophobicContact CG2-CG2 4.27Å; I14-V18 WeakPolarHBondContact O-CA 3.46Å; I14-V18 WeakPolarHBondContact O-CB 3.25Å; I14-V18 PolarHBondContact O-N 2.68Å; I14-I19 PolarHBondContact O-N 2.77Å; I14-I40 HydrophobicContact CD1-CG2 4.02Å; I14-L41 HydrophobicContact CD1-CD1 4.2Å; I14-L41 HydrophobicContact CG2-CD1 3.73Å; I14-L76 HydrophobicContact CG2-CD2 4.42Å; I14-L135 HydrophobicContact CD1-CD2 3.77Å; I14-L135 HydrophobicContact CG1-CD2 3.64Å
15	L	93.8	Very high	93.1	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.126	24%	0.237	C	C	.	.	I	π-helix	trans	-60.5	-47.3	-177.2	-70	177	0	0	0	111.2	G11 I19 R20	G11-L15 WeakPolarHBondContact O-CB 3.27Å; G11-L15 VanDerWaalsContact O-CG 3.27Å; G11-L15 WeakPolarHBondContact O-CG 3.18Å; G11-L15 PolarHBondContact O-N 2.87Å; L15-I19 HydrophobicContact CD2-CD1 3.94Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-R20 WeakPolarHBondContact O-CB 3.49Å; L15-R20 PolarHBondContact O-N 2.71Å
16	S	91.9	Very high	93.1	Very high	47 Å²	47	46.3 Å²	46.3	33%	0.329	27%	0.27	S	S	.	.	I	π-helix	trans	-78.2	-47.1	179.8	68.7	0	0	0	0	113	E12 I14 S21	E12-S16 VanDerWaalsContact O-CB 3.25Å; E12-S16 WeakPolarHBondContact O-CB 3.32Å; E12-S16 PolarHBondContact O-N 3.21Å; E12-S16 PolarHBondContact O-OG 3.46Å; E12-S16 WeakPolarHBondContact OE1-CB 3.25Å; I14-S16 PolarHBondContact O-N 3.34Å; S16-S21 PolarHBondContact O-N 3.19Å
17	G	90.6	Very high	93	Very high	35 Å²	35	49.6 Å²	49.6	36%	0.361	29%	0.285	S	S	.	.	I	π-helix	trans	-79.2	-24.8	-171	0	0	0	0	0	114.3	K13 S21	K13-G17 VanDerWaalsContact O-CA 3.25Å; K13-G17 WeakPolarHBondContact O-CA 3.45Å; K13-G17 PolarHBondContact O-N 2.97Å; G17-S21 WeakPolarHBondContact O-CB 3.43Å; G17-S21 PolarHBondContact O-OG 3.13Å; G17-S21 VanDerWaalsContact O-OG 3.08Å
18	V	94.6	Very high	93	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-110.5	-69.5	-179.6	-171.5	0	0	0	0	109.8	I14 S21 V22 I74 F105 I133	I14-V18 HydrophobicContact CG2-CB 4.32Å; I14-V18 HydrophobicContact CG2-CG2 4.27Å; I14-V18 WeakPolarHBondContact O-CA 3.46Å; I14-V18 WeakPolarHBondContact O-CB 3.25Å; I14-V18 PolarHBondContact O-N 2.68Å; V18-S21 PolarHBondContact O-OG 3.29Å; V18-V22 WeakPolarHBondContact O-CG2 3.44Å; V18-I74 HydrophobicContact CG1-CG2 3.95Å; V18-F105 HydrophobicContact CB-CD1 4.48Å; V18-F105 HydrophobicContact CB-CE1 4.47Å; V18-F105 HydrophobicContact CG1-CB 4.41Å; V18-F105 HydrophobicContact CG1-CD1 4.15Å; V18-F105 HydrophobicContact CG1-CD2 3.7Å; V18-F105 HydrophobicContact CG1-CE1 4.3Å; V18-F105 HydrophobicContact CG1-CE2 3.87Å; V18-F105 HydrophobicContact CG1-CG 3.85Å; V18-F105 HydrophobicContact CG1-CZ 4.17Å; V18-F105 HydrophobicContact CG2-CD1 4.13Å; V18-F105 HydrophobicContact CG2-CE1 4.46Å; V18-F105 HydrophobicContact CG2-CG 4.43Å; V18-I133 HydrophobicContact CG2-CD1 3.21Å; V18-I133 HydrophobicContact CG2-CG1 3.98Å
19	I	93.4	Very high	93.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.281	C	S	.	.	I	π-helix	trans	-70.4	-56.6	-165	-50.5	-169.2	0	0	0	111.1	I14 L15 S21 V22 K23 I50 E53 I55	I14-I19 PolarHBondContact O-N 2.77Å; L15-I19 HydrophobicContact CD2-CD1 3.94Å; L15-I19 PolarHBondContact O-N 3.43Å; I19-S21 VanDerWaalsContact C-N 3.25Å; I19-S21 PolarHBondContact O-N 3.35Å; I19-V22 WeakPolarHBondContact O-CG2 3.34Å; I19-V22 PolarHBondContact O-N 3.23Å; I19-K23 PolarHBondContact O-N 3.31Å; I19-K23 VanDerWaalsContact O-N 3.15Å; I19-I50 HydrophobicContact CD1-CG1 4.21Å; I19-I50 HydrophobicContact CD1-CG2 4.23Å; I19-E53 HydrophobicContact CG2-CB 3.56Å; I19-I55 HydrophobicContact CG2-CD1 4.11Å; I19-I55 HydrophobicContact CG2-CG1 3.87Å
20	R	94.3	Very high	93.3	Very high	105 Å²	105	50.2 Å²	50.2	40%	0.396	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.2	-30.5	-179.3	-161.3	-179.9	-62.4	136.4	4	112	E12 L15 V22 K23 E53	E12-R20 IonicContact OE1-NH1 3.31Å; E12-R20 PolarHBondContact OE1-NH1 3.31Å; L15-R20 WeakPolarHBondContact O-CB 3.49Å; L15-R20 PolarHBondContact O-N 2.71Å; R20-V22 PolarHBondContact O-N 3Å; R20-K23 WeakPolarHBondContact O-CB 3.2Å; R20-K23 PolarHBondContact O-N 3.2Å; R20-E53 IonicContact CZ-OE1 3Å; R20-E53 IonicContact NE-OE1 2.87Å; R20-E53 PolarHBondContact NE-OE1 3.05Å; R20-E53 IonicContact NH2-OE1 2.77Å; R20-E53 PolarHBondContact NH2-OE1 3.05Å
21	S	94.6	Very high	93.5	Very high	57 Å²	57	50.3 Å²	50.3	40%	0.399	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.3	-24.3	178.3	85.4	0	0	0	0	114.2	S16 G17 V18 I19	S16-S21 PolarHBondContact O-N 3.19Å; G17-S21 WeakPolarHBondContact O-CB 3.43Å; G17-S21 PolarHBondContact O-OG 3.13Å; G17-S21 VanDerWaalsContact O-OG 3.08Å; V18-S21 PolarHBondContact O-OG 3.29Å; I19-S21 VanDerWaalsContact C-N 3.25Å; I19-S21 PolarHBondContact O-N 3.35Å
22	V	93.9	Very high	93.7	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-115.6	4	178.9	-57.7	0	0	0	0	112.7	V18 I19 R20 K29 I74 H103 F105	V18-V22 WeakPolarHBondContact O-CG2 3.44Å; I19-V22 WeakPolarHBondContact O-CG2 3.34Å; I19-V22 PolarHBondContact O-N 3.23Å; R20-V22 PolarHBondContact O-N 3Å; V22-K29 HydrophobicContact CG2-CD 4.27Å; V22-K29 VanDerWaalsContact O-CE 3.23Å; V22-K29 WeakPolarHBondContact O-CE 3.23Å; V22-K29 PolarHBondContact O-NZ 3.09Å; V22-I74 HydrophobicContact CG2-CD1 3.31Å; V22-I74 HydrophobicContact CG2-CG1 3.8Å; V22-H103 HydrophobicContact CG1-CB 4.21Å; V22-F105 HydrophobicContact CG1-CE2 3.98Å; V22-F105 HydrophobicContact CG1-CZ 3.77Å
23	K	92.6	Very high	93.9	Very high	81 Å²	81	45.8 Å²	45.8	35%	0.352	25%	0.25	S	C	.	.			trans	-64.1	137.7	176.3	-175.6	176.5	-175.5	173.8	0	110.1	I19 R20 A52 E53	I19-K23 PolarHBondContact O-N 3.31Å; I19-K23 VanDerWaalsContact O-N 3.15Å; R20-K23 WeakPolarHBondContact O-CB 3.2Å; R20-K23 PolarHBondContact O-N 3.2Å; K23-A52 PolarHBondContact NZ-O 2.88Å; K23-E53 WeakPolarHBondContact CD-OE2 3.35Å; K23-E53 IonicContact NZ-OE2 3.41Å; K23-E53 PolarHBondContact NZ-OE2 2.83Å
24	K	91.9	Very high	94	Very high	96 Å²	96	43.3 Å²	43.3	42%	0.417	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-136.7	128.9	174.3	-74.6	177.7	173	-178.4	0	108.1	G26 E27	K24-G26 PolarHBondContact O-N 3.23Å; K24-E27 HydrophobicContact CB-CB 4.17Å; K24-E27 HydrophobicContact CB-CG 4.34Å; K24-E27 WeakPolarHBondContact CD-OE2 3.13Å; K24-E27 PolarHBondContact O-N 3.08Å; K24-E27 VanDerWaalsContact O-N 3.08Å
25	D	89.3	Confident	94	Very high	153 Å²	153	47.4 Å²	47.4	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	129.4	-176	-63.5	-27.7	0	0	0	110.8	E27	D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.91Å
26	G	88	Confident	93.9	Very high	83 Å²	83	48.5 Å²	48.5	86%	0.856	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-5.1	-177.3	0	0	0	0	0	115.7	K24	K24-G26 PolarHBondContact O-N 3.23Å
27	E	92.1	Very high	94	Very high	73 Å²	73	46.3 Å²	46.3	34%	0.341	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-108.4	127.4	175.9	-66.6	-175.5	172.6	0	0	111.8	K24 D25 K29	K24-E27 HydrophobicContact CB-CB 4.17Å; K24-E27 HydrophobicContact CB-CG 4.34Å; K24-E27 WeakPolarHBondContact CD-OE2 3.13Å; K24-E27 PolarHBondContact O-N 3.08Å; K24-E27 VanDerWaalsContact O-N 3.08Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.91Å; E27-K29 IonicContact OE2-NZ 2.82Å
28	W	94.9	Very high	94.2	Very high	129 Å²	129	47.5 Å²	47.5	49%	0.489	25%	0.248	S	C	.	.			trans	-91.6	148.2	170.2	-67.2	95	0	0	0	111.1	T56	W28-T56 HydrophobicContact CB-CG2 4.37Å
29	K	96.9	Very high	94.1	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	157	176.5	-63.9	-173.2	175.4	70.7	0	111.8	V22 E27 G54 I55 T56 E72 I74	V22-K29 HydrophobicContact CG2-CD 4.27Å; V22-K29 VanDerWaalsContact O-CE 3.23Å; V22-K29 WeakPolarHBondContact O-CE 3.23Å; V22-K29 PolarHBondContact O-NZ 3.09Å; E27-K29 IonicContact OE2-NZ 2.82Å; K29-G54 PolarHBondContact N-O 3.49Å; K29-I55 HydrophobicContact CB-CD1 4.11Å; K29-I55 WeakPolarHBondContact O-CA 3.48Å; K29-T56 PolarHBondContact O-N 3.18Å; K29-E72 WeakPolarHBondContact CA-O 3.26Å; K29-E72 WeakPolarHBondContact CB-O 3.38Å; K29-E72 HydrophobicContact CD-CB 4.4Å; K29-E72 HydrophobicContact CG-CB 4.29Å; K29-I74 HydrophobicContact CB-CD1 4.25Å; K29-I74 HydrophobicContact CB-CG1 4.28Å; K29-I74 HydrophobicContact CD-CD1 4.07Å; K29-I74 HydrophobicContact CD-CG1 4Å
30	V	97.2	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.4	171.4	-178.6	0	0	0	0	108.4	I32 I57 E59 I68 L71 E72 A73 I74 Y99	V30-I32 HydrophobicContact CG1-CD1 4.36Å; V30-I32 HydrophobicContact CG1-CG1 3.86Å; V30-I57 HydrophobicContact CB-CG2 4.14Å; V30-I57 HydrophobicContact CG1-CG2 3.69Å; V30-I57 HydrophobicContact CG2-CG2 3.81Å; V30-E59 HydrophobicContact CG1-CG 4.21Å; V30-I68 HydrophobicContact CG2-CD1 4.37Å; V30-L71 HydrophobicContact CG2-CB 4.12Å; V30-L71 HydrophobicContact CG2-CD1 3.86Å; V30-E72 PolarHBondContact N-O 2.91Å; V30-A73 CarbonylContact O-C 3.46Å; V30-A73 WeakPolarHBondContact O-CA 3.45Å; V30-I74 PolarHBondContact O-N 3.44Å; V30-Y99 HydrophobicContact CB-CE1 4.21Å; V30-Y99 HydrophobicContact CG1-CE1 4.13Å; V30-Y99 HydrophobicContact CG2-CD1 4.41Å; V30-Y99 HydrophobicContact CG2-CE1 4.06Å
31	L	97.7	Very high	94.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.6	172.3	177.1	62.2	0	0	0	109.5	M33 L41 I50 I55 I57 V58 E59 I74 L76	L31-M33 HydrophobicContact CD1-CG 4.3Å; L31-M33 HydrophobicContact CD2-CE 4.18Å; L31-M33 HydrophobicContact CD2-SD 4.27Å; L31-M33 HydrophobicContact CG-CE 4.48Å; L31-M33 HydrophobicContact CG-CG 4.17Å; L31-M33 HydrophobicContact CG-SD 4.43Å; L31-L41 HydrophobicContact CD2-CD2 3.7Å; L31-I50 HydrophobicContact CD2-CG2 4.22Å; L31-I55 HydrophobicContact CB-CD1 4.44Å; L31-I55 HydrophobicContact CB-CG2 3.67Å; L31-I57 PolarHBondContact N-O 3.27Å; L31-V58 HydrophobicContact CB-CG2 4.31Å; L31-V58 HydrophobicContact CD2-CG1 4.44Å; L31-V58 HydrophobicContact CD2-CG2 4.21Å; L31-V58 CarbonylContact O-C 3.45Å; L31-V58 VanDerWaalsContact O-CA 3.29Å; L31-V58 WeakPolarHBondContact O-CA 3.45Å; L31-E59 PolarHBondContact O-N 2.91Å; L31-I74 CarbonylContact C-O 3.59Å; L31-I74 HydrophobicContact CD1-CB 4.08Å; L31-I74 HydrophobicContact CD1-CG2 3.95Å; L31-L76 HydrophobicContact CD1-CB 4.4Å
32	I	98.1	Very high	94	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	-176.8	-56.2	165.7	0	0	0	108	V30 E59 I61 A73 I74 Y75 L76 Y99	V30-I32 HydrophobicContact CG1-CD1 4.36Å; V30-I32 HydrophobicContact CG1-CG1 3.86Å; I32-E59 WeakPolarHBondContact CA-O 3.44Å; I32-E59 HydrophobicContact CG1-CB 4.36Å; I32-I61 HydrophobicContact CG2-CB 3.74Å; I32-I61 HydrophobicContact CG2-CD1 4.45Å; I32-I61 HydrophobicContact CG2-CG1 4.02Å; I32-A73 HydrophobicContact CD1-CB 3.61Å; I32-I74 PolarHBondContact N-O 3.27Å; I32-Y75 HydrophobicContact CB-CD1 3.76Å; I32-Y75 HydrophobicContact CB-CE1 3.94Å; I32-Y75 HydrophobicContact CB-CG 4.39Å; I32-Y75 HydrophobicContact CD1-CD1 4.01Å; I32-Y75 HydrophobicContact CD1-CE1 3.4Å; I32-Y75 VanDerWaalsContact CD1-CE1 3.4Å; I32-Y75 HydrophobicContact CD1-CE2 3.96Å; I32-Y75 HydrophobicContact CG1-CE1 4.28Å; I32-Y75 HydrophobicContact CG2-CD1 3.73Å; I32-Y75 HydrophobicContact CG2-CE1 3.74Å; I32-Y75 WeakPolarHBondContact O-CA 3.36Å; I32-L76 PolarHBondContact O-N 3.2Å; I32-Y99 HydrophobicContact CD1-CD2 4.01Å; I32-Y99 HydrophobicContact CD1-CE1 4.33Å; I32-Y99 HydrophobicContact CD1-CE2 3.31Å; I32-Y99 VanDerWaalsContact CD1-CZ 3.49Å
33	M	97.6	Very high	93.9	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	157.4	-177	-63.7	-171	-72.1	0	0	111.9	L31 M38 L41 V58 E59 D60 I61 L76	L31-M33 HydrophobicContact CD1-CG 4.3Å; L31-M33 HydrophobicContact CD2-CE 4.18Å; L31-M33 HydrophobicContact CD2-SD 4.27Å; L31-M33 HydrophobicContact CG-CE 4.48Å; L31-M33 HydrophobicContact CG-CG 4.17Å; L31-M33 HydrophobicContact CG-SD 4.43Å; M33-M38 HydrophobicContact CB-CB 4.22Å; M33-M38 HydrophobicContact CE-CB 4.02Å; M33-M38 HydrophobicContact CE-CE 4.38Å; M33-M38 HydrophobicContact CE-CG 3.96Å; M33-M38 HydrophobicContact SD-CB 4.46Å; M33-L41 HydrophobicContact CE-CB 4.38Å; M33-L41 HydrophobicContact CE-CD2 3.44Å; M33-L41 VanDerWaalsContact CE-CD2 3.44Å; M33-L41 HydrophobicContact SD-CB 4.01Å; M33-L41 HydrophobicContact SD-CD2 3.57Å; M33-L41 VanDerWaalsContact SD-CD2 3.57Å; M33-L41 HydrophobicContact SD-CG 4.44Å; M33-V58 HydrophobicContact CE-CG1 3.47Å; M33-V58 VanDerWaalsContact CE-CG1 3.47Å; M33-E59 PolarHBondContact N-O 3.48Å; M33-D60 WeakPolarHBondContact O-CA 3.37Å; M33-I61 PolarHBondContact O-N 3.1Å; M33-L76 WeakPolarHBondContact CA-O 3.31Å; M33-L76 HydrophobicContact CG-CB 4.13Å; M33-L76 HydrophobicContact SD-CD2 4.16Å
34	D	96.1	Very high	93.9	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.259	C	S	.	.			trans	-91.1	170	161.1	57.6	17.7	0	0	0	111.1	S37 M38 I61 L77 S78 S83	D34-S37 PolarHBondContact O-N 2.94Å; D34-S37 WeakPolarHBondContact OD1-CB 3.41Å; D34-S37 PolarHBondContact OD1-N 2.61Å; D34-S37 VanDerWaalsContact OD1-N 3.07Å; D34-S37 PolarHBondContact OD1-OG 3.41Å; D34-M38 VanDerWaalsContact O-CB 3.3Å; D34-M38 WeakPolarHBondContact O-CB 2.89Å; D34-M38 PolarHBondContact O-N 2.87Å; D34-I61 HydrophobicContact CB-CG2 3.89Å; D34-L77 HydrophobicContact CB-CD2 4.21Å; D34-S78 WeakPolarHBondContact OD2-CB 3.44Å; D34-S78 PolarHBondContact OD2-N 2.93Å; D34-S83 PolarHBondContact OD2-OG 3.44Å
35	H	93.6	Very high	93.8	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.407	24%	0.243	S	C	.	.	H	α-helix	trans	-56.5	-43.3	-177.3	-63.1	-60	0	0	0	114.1	R39 D60	H35-R39 WeakPolarHBondContact O-CG 3.43Å; H35-R39 PolarHBondContact O-N 3.31Å; H35-R39 VanDerWaalsContact O-N 3.1Å; H35-R39 PolarHBondContact O-NE 3.23Å; H35-D60 IonicContact CE1-OD2 2.7Å; H35-D60 PolarHBondContact CE1-OD2 3.42Å; H35-D60 IonicContact ND1-OD2 3.09Å; H35-D60 IonicContact NE2-OD2 3.33Å
36	P	92.3	Very high	93.8	Very high	46 Å²	46	40.9 Å²	40.9	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-48.3	176.2	-22.7	34	0	0	0	112.5	M38 R39 I40	P36-M38 VanDerWaalsContact C-N 3.32Å; P36-M38 PolarHBondContact O-N 2.97Å; P36-R39 PolarHBondContact O-N 3.25Å; P36-I40 WeakPolarHBondContact O-CG1 3.45Å; P36-I40 PolarHBondContact O-N 3.44Å; P36-I40 VanDerWaalsContact O-N 3.09Å
37	S	94.8	Very high	93.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-36.8	-178.8	-52	0	0	0	0	112.2	D34 R39 I40 L41 L76 S78 T107	D34-S37 PolarHBondContact O-N 2.94Å; D34-S37 WeakPolarHBondContact OD1-CB 3.41Å; D34-S37 PolarHBondContact OD1-N 2.61Å; D34-S37 VanDerWaalsContact OD1-N 3.07Å; D34-S37 PolarHBondContact OD1-OG 3.41Å; S37-R39 VanDerWaalsContact C-N 3.34Å; S37-I40 PolarHBondContact O-N 2.82Å; S37-L41 PolarHBondContact O-N 2.85Å; S37-L76 WeakPolarHBondContact CB-O 3.44Å; S37-L76 PolarHBondContact OG-O 3.02Å; S37-S78 PolarHBondContact OG-N 2.89Å; S37-T107 WeakPolarHBondContact OG-CG2 2.97Å
38	M	94.3	Very high	93.9	Very high	61 Å²	61	42.5 Å²	42.5	30%	0.3	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-42	175.3	-174.8	177.4	-68	0	0	111.5	M33 D34 P36 L41 S42 D60	M33-M38 HydrophobicContact CB-CB 4.22Å; M33-M38 HydrophobicContact CE-CB 4.02Å; M33-M38 HydrophobicContact CE-CE 4.38Å; M33-M38 HydrophobicContact CE-CG 3.96Å; M33-M38 HydrophobicContact SD-CB 4.46Å; D34-M38 VanDerWaalsContact O-CB 3.3Å; D34-M38 WeakPolarHBondContact O-CB 2.89Å; D34-M38 PolarHBondContact O-N 2.87Å; P36-M38 VanDerWaalsContact C-N 3.32Å; P36-M38 PolarHBondContact O-N 2.97Å; M38-L41 PolarHBondContact O-N 3.44Å; M38-S42 WeakPolarHBondContact O-CB 3.41Å; M38-S42 PolarHBondContact O-N 2.79Å; M38-S42 PolarHBondContact O-OG 3.08Å; M38-S42 VanDerWaalsContact O-OG 3.07Å; M38-D60 HydrophobicContact CE-CB 4.25Å
39	R	93.1	Very high	93.7	Very high	109 Å²	109	39.1 Å²	39.1	41%	0.411	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-38.7	176.8	-74.5	-175.2	-76.4	173	4.9	112.6	H35 P36 S37 S42 S43 L138 D148	H35-R39 WeakPolarHBondContact O-CG 3.43Å; H35-R39 PolarHBondContact O-N 3.31Å; H35-R39 VanDerWaalsContact O-N 3.1Å; H35-R39 PolarHBondContact O-NE 3.23Å; P36-R39 PolarHBondContact O-N 3.25Å; S37-R39 VanDerWaalsContact C-N 3.34Å; R39-S42 WeakPolarHBondContact CA-OG 3.48Å; R39-S42 PolarHBondContact O-OG 3.32Å; R39-S42 VanDerWaalsContact O-OG 3.09Å; R39-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 3.25Å; R39-L138 HydrophobicContact CB-CD2 4.06Å; R39-D148 VanDerWaalsContact CZ-CG 3.41Å; R39-D148 IonicContact CZ-OD1 2.88Å; R39-D148 VanDerWaalsContact CZ-OD1 3.28Å; R39-D148 IonicContact CZ-OD2 3.77Å; R39-D148 IonicContact NE-OD2 3.12Å; R39-D148 PolarHBondContact NE-OD2 3.09Å; R39-D148 VanDerWaalsContact NH1-CG 3.32Å; R39-D148 IonicContact NH1-OD1 2.83Å; R39-D148 PolarHBondContact NH1-OD1 2.84Å; R39-D148 IonicContact NH1-OD2 3.6Å; R39-D148 PolarHBondContact NH1-OD2 2.65Å; R39-D148 VanDerWaalsContact NH1-OD2 3.16Å; R39-D148 IonicContact NH2-OD1 2.79Å; R39-D148 IonicContact NH2-OD2 2.68Å; R39-D148 PolarHBondContact NH2-OD2 2.69Å
40	I	94.2	Very high	93.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-51.9	173.4	-64	169.5	0	0	0	109.9	V10 I14 P36 S37 S42 S43 C44 L135 L138	V10-I40 HydrophobicContact CG1-CG2 4.08Å; I14-I40 HydrophobicContact CD1-CG2 4.02Å; P36-I40 WeakPolarHBondContact O-CG1 3.45Å; P36-I40 PolarHBondContact O-N 3.44Å; P36-I40 VanDerWaalsContact O-N 3.09Å; S37-I40 PolarHBondContact O-N 2.82Å; I40-S42 PolarHBondContact O-N 2.59Å; I40-S43 WeakPolarHBondContact O-CB 3.47Å; I40-S43 PolarHBondContact O-N 3.01Å; I40-C44 PolarHBondContact O-SG 3.15Å; I40-C44 VanDerWaalsContact O-SG 3.39Å; I40-L135 HydrophobicContact CG2-CD2 3.95Å; I40-L135 HydrophobicContact CG2-CG 4.31Å; I40-L138 HydrophobicContact CG1-CD1 3.81Å; I40-L138 HydrophobicContact CG1-CG 4.11Å
41	L	93.6	Very high	93.3	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-44.8	-178.7	-176.8	71.5	0	0	0	112.1	I14 L31 M33 S37 M38 S43 C44 C45 I50	I14-L41 HydrophobicContact CD1-CD1 4.2Å; I14-L41 HydrophobicContact CG2-CD1 3.73Å; L31-L41 HydrophobicContact CD2-CD2 3.7Å; M33-L41 HydrophobicContact CE-CB 4.38Å; M33-L41 HydrophobicContact CE-CD2 3.44Å; M33-L41 VanDerWaalsContact CE-CD2 3.44Å; M33-L41 HydrophobicContact SD-CB 4.01Å; M33-L41 HydrophobicContact SD-CD2 3.57Å; M33-L41 VanDerWaalsContact SD-CD2 3.57Å; M33-L41 HydrophobicContact SD-CG 4.44Å; S37-L41 PolarHBondContact O-N 2.85Å; M38-L41 PolarHBondContact O-N 3.44Å; L41-S43 PolarHBondContact O-N 3.28Å; L41-C44 PolarHBondContact O-N 2.8Å; L41-C45 HydrophobicContact CD1-CB 3.8Å; L41-C45 HydrophobicContact CG-CB 4.31Å; L41-C45 PolarHBondContact O-N 3.45Å; L41-I50 HydrophobicContact CD1-CD1 4.22Å; L41-I50 HydrophobicContact CD2-CD1 3.52Å; L41-I50 HydrophobicContact CD2-CG1 4.4Å; L41-I50 HydrophobicContact CG-CD1 3.95Å
42	S	92.3	Very high	93	Very high	85 Å²	85	46.8 Å²	46.8	59%	0.594	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-20.9	-179.5	62.8	0	0	0	0	113.2	M38 R39 I40	M38-S42 WeakPolarHBondContact O-CB 3.41Å; M38-S42 PolarHBondContact O-N 2.79Å; M38-S42 PolarHBondContact O-OG 3.08Å; M38-S42 VanDerWaalsContact O-OG 3.07Å; R39-S42 WeakPolarHBondContact CA-OG 3.48Å; R39-S42 PolarHBondContact O-OG 3.32Å; R39-S42 VanDerWaalsContact O-OG 3.09Å; I40-S42 PolarHBondContact O-N 2.59Å
43	S	91.7	Very high	92.7	Very high	27 Å²	27	48.2 Å²	48.2	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-77	-23.5	179	-173	0	0	0	0	113	K7 R39 I40 L41 P139	K7-S43 WeakPolarHBondContact CD-O 3.44Å; K7-S43 VanDerWaalsContact CE-O 3.24Å; K7-S43 WeakPolarHBondContact CE-O 3.37Å; R39-S43 WeakPolarHBondContact O-CB 3.45Å; R39-S43 PolarHBondContact O-N 3.25Å; I40-S43 WeakPolarHBondContact O-CB 3.47Å; I40-S43 PolarHBondContact O-N 3.01Å; L41-S43 PolarHBondContact O-N 3.28Å; S43-P139 PolarHBondContact OG-O 3.33Å
44	C	91.8	Very high	92.5	Very high	27 Å²	27	48.7 Å²	48.7	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-126.4	-17.8	-173	61.5	0	0	0	0	115.9	K7 V10 I40 L41 P139	K7-C44 HydrophobicContact CB-CB 4.31Å; K7-C44 VanDerWaalsContact O-CB 3.27Å; K7-C44 WeakPolarHBondContact O-CB 3.43Å; V10-C44 HydrophobicContact CB-CB 4.5Å; V10-C44 HydrophobicContact CG1-CB 4.44Å; I40-C44 PolarHBondContact O-SG 3.15Å; I40-C44 VanDerWaalsContact O-SG 3.39Å; L41-C44 PolarHBondContact O-N 2.8Å; C44-P139 HydrophobicContact CB-CG 4.14Å
45	C	90.4	Very high	92.5	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.081	27%	0.273	C	S	.	.			trans	-128.4	138.2	-174.7	-63.9	0	0	0	0	111.5	L41 I50	L41-C45 HydrophobicContact CD1-CB 3.8Å; L41-C45 HydrophobicContact CG-CB 4.31Å; L41-C45 PolarHBondContact O-N 3.45Å; C45-I50 HydrophobicContact CB-CD1 4.37Å; C45-I50 HydrophobicContact CB-CG1 4.38Å
46	K	90.3	Very high	92.5	Very high	91 Å²	91	48.3 Å²	48.3	40%	0.396	28%	0.276	S	S	.	.			trans	-86.8	158.6	173.2	-53	-174.6	-159	-149.1	0	110.6	S48 D49 I50 D284	K46-S48 WeakPolarHBondContact CB-OG 3.46Å; K46-S48 PolarHBondContact O-N 3.13Å; K46-D49 WeakPolarHBondContact CB-OD2 3.4Å; K46-D49 PolarHBondContact N-OD2 3.05Å; K46-D49 WeakPolarHBondContact O-CB 3.39Å; K46-D49 PolarHBondContact O-N 3.18Å; K46-I50 PolarHBondContact O-N 2.7Å; K46-D284 VanDerWaalsContact CE-CG 3.46Å; K46-D284 WeakPolarHBondContact CE-OD1 3.32Å; K46-D284 WeakPolarHBondContact CE-OD2 3.15Å; K46-D284 IonicContact NZ-OD1 3.45Å; K46-D284 PolarHBondContact NZ-OD1 2.73Å; K46-D284 IonicContact NZ-OD2 3.83Å; K46-D284 PolarHBondContact NZ-OD2 3.45Å
47	M	89.8	Confident	92.6	Very high	117 Å²	117	49.2 Å²	49.2	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-59	-33.2	174	-169.4	56.6	63.2	0	0	112.4	D49 I50 L51 V58	M47-D49 VanDerWaalsContact C-N 3.28Å; M47-D49 PolarHBondContact O-N 3.08Å; M47-I50 PolarHBondContact O-N 2.95Å; M47-L51 WeakPolarHBondContact O-CB 3.34Å; M47-L51 PolarHBondContact O-N 3.2Å; M47-V58 HydrophobicContact CE-CB 4.37Å; M47-V58 HydrophobicContact CE-CG2 3.91Å; M47-V58 HydrophobicContact SD-CG2 3.94Å
48	S	91.6	Very high	92.6	Very high	73 Å²	73	51 Å²	51	51%	0.51	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-38.6	174.5	50.5	0	0	0	0	112.7	K46 A52	K46-S48 WeakPolarHBondContact CB-OG 3.46Å; K46-S48 PolarHBondContact O-N 3.13Å; S48-A52 WeakPolarHBondContact O-CB 3.38Å; S48-A52 PolarHBondContact O-N 3.48Å
49	D	91.4	Very high	92.7	Very high	59 Å²	59	50.6 Å²	50.6	32%	0.316	29%	0.286	S	S	.	.	H	α-helix	trans	-73.2	-39.5	-175	-49.2	-26.5	0	0	0	109.8	K46 M47 E53	K46-D49 WeakPolarHBondContact CB-OD2 3.4Å; K46-D49 PolarHBondContact N-OD2 3.05Å; K46-D49 WeakPolarHBondContact O-CB 3.39Å; K46-D49 PolarHBondContact O-N 3.18Å; M47-D49 VanDerWaalsContact C-N 3.28Å; M47-D49 PolarHBondContact O-N 3.08Å; D49-E53 WeakPolarHBondContact O-CG 3.31Å
50	I	92.8	Very high	92.9	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-68.2	-43.4	177	-62.4	160.5	0	0	0	110.9	I19 L31 L41 C45 K46 M47 E53 I55 V58	I19-I50 HydrophobicContact CD1-CG1 4.21Å; I19-I50 HydrophobicContact CD1-CG2 4.23Å; L31-I50 HydrophobicContact CD2-CG2 4.22Å; L41-I50 HydrophobicContact CD1-CD1 4.22Å; L41-I50 HydrophobicContact CD2-CD1 3.52Å; L41-I50 HydrophobicContact CD2-CG1 4.4Å; L41-I50 HydrophobicContact CG-CD1 3.95Å; C45-I50 HydrophobicContact CB-CD1 4.37Å; C45-I50 HydrophobicContact CB-CG1 4.38Å; K46-I50 PolarHBondContact O-N 2.7Å; M47-I50 PolarHBondContact O-N 2.95Å; I50-E53 PolarHBondContact O-N 3.2Å; I50-I55 HydrophobicContact CG2-CB 3.56Å; I50-I55 HydrophobicContact CG2-CG1 3.67Å; I50-I55 HydrophobicContact CG2-CG2 3.75Å; I50-V58 HydrophobicContact CG2-CG2 4.4Å
51	L	92.1	Very high	93	Very high	94 Å²	94	45.7 Å²	45.7	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-40.5	179.6	-169.1	153.4	0	0	0	111.8	M47 E53 G54	M47-L51 WeakPolarHBondContact O-CB 3.34Å; M47-L51 PolarHBondContact O-N 3.2Å; L51-E53 PolarHBondContact O-N 3.18Å; L51-E53 VanDerWaalsContact O-N 3.13Å; L51-G54 PolarHBondContact O-N 3.22Å
52	A	91	Very high	93	Very high	69 Å²	69	48 Å²	48	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-60.6	-21.8	176.4	0	0	0	0	0	113.3	K23 S48	K23-A52 PolarHBondContact NZ-O 2.88Å; S48-A52 WeakPolarHBondContact O-CB 3.38Å; S48-A52 PolarHBondContact O-N 3.48Å
53	E	92.4	Very high	93.1	Very high	30 Å²	30	50.4 Å²	50.4	14%	0.14	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	13.5	-178.6	-64.2	-73.1	-157.2	0	0	114.1	I19 R20 K23 D49 I50 L51	I19-E53 HydrophobicContact CG2-CB 3.56Å; R20-E53 IonicContact CZ-OE1 3Å; R20-E53 IonicContact NE-OE1 2.87Å; R20-E53 PolarHBondContact NE-OE1 3.05Å; R20-E53 IonicContact NH2-OE1 2.77Å; R20-E53 PolarHBondContact NH2-OE1 3.05Å; K23-E53 WeakPolarHBondContact CD-OE2 3.35Å; K23-E53 IonicContact NZ-OE2 3.41Å; K23-E53 PolarHBondContact NZ-OE2 2.83Å; D49-E53 WeakPolarHBondContact O-CG 3.31Å; I50-E53 PolarHBondContact O-N 3.2Å; L51-E53 PolarHBondContact O-N 3.18Å; L51-E53 VanDerWaalsContact O-N 3.13Å
54	G	92.6	Very high	93.1	Very high	14 Å²	14	61.2 Å²	61.2	14%	0.144	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	20.2	170.6	0	0	0	0	0	114.9	K29 L51	K29-G54 PolarHBondContact N-O 3.49Å; L51-G54 PolarHBondContact O-N 3.22Å
55	I	95.8	Very high	93.1	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.4	171.5	-55.4	-54.8	0	0	0	109.6	I19 K29 L31 I50 V58 I74	I19-I55 HydrophobicContact CG2-CD1 4.11Å; I19-I55 HydrophobicContact CG2-CG1 3.87Å; K29-I55 HydrophobicContact CB-CD1 4.11Å; K29-I55 WeakPolarHBondContact O-CA 3.48Å; L31-I55 HydrophobicContact CB-CD1 4.44Å; L31-I55 HydrophobicContact CB-CG2 3.67Å; I50-I55 HydrophobicContact CG2-CB 3.56Å; I50-I55 HydrophobicContact CG2-CG1 3.67Å; I50-I55 HydrophobicContact CG2-CG2 3.75Å; I55-V58 HydrophobicContact CG2-CG2 4.24Å; I55-I74 HydrophobicContact CD1-CD1 3.53Å
56	T	94.1	Very high	93.1	Very high	77 Å²	77	68.2 Å²	68.2	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-36.1	-179	-168.9	0	0	0	0	112.7	W28 K29 L71	W28-T56 HydrophobicContact CB-CG2 4.37Å; K29-T56 PolarHBondContact O-N 3.18Å; T56-L71 HydrophobicContact CG2-CD1 3.9Å
57	I	94.6	Very high	93.2	Very high	64 Å²	64	68 Å²	68	33%	0.328	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.6	-176.2	-165.7	172.7	0	0	0	110.2	V30 L31 E59	V30-I57 HydrophobicContact CB-CG2 4.14Å; V30-I57 HydrophobicContact CG1-CG2 3.69Å; V30-I57 HydrophobicContact CG2-CG2 3.81Å; L31-I57 PolarHBondContact N-O 3.27Å; I57-E59 HydrophobicContact CD1-CG 4.35Å; I57-E59 VanDerWaalsContact CD1-OE1 3.28Å; I57-E59 WeakPolarHBondContact CD1-OE1 3.4Å; I57-E59 HydrophobicContact CG1-CG 4.24Å; I57-E59 HydrophobicContact CG2-CG 4.44Å
58	V	95.8	Very high	93.4	Very high	40 Å²	40	64.7 Å²	64.7	24%	0.242	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	175.4	-177	0	0	0	0	108.3	L31 M33 M47 I50 I55	L31-V58 HydrophobicContact CB-CG2 4.31Å; L31-V58 HydrophobicContact CD2-CG1 4.44Å; L31-V58 HydrophobicContact CD2-CG2 4.21Å; L31-V58 CarbonylContact O-C 3.45Å; L31-V58 VanDerWaalsContact O-CA 3.29Å; L31-V58 WeakPolarHBondContact O-CA 3.45Å; M33-V58 HydrophobicContact CE-CG1 3.47Å; M33-V58 VanDerWaalsContact CE-CG1 3.47Å; M47-V58 HydrophobicContact CE-CB 4.37Å; M47-V58 HydrophobicContact CE-CG2 3.91Å; M47-V58 HydrophobicContact SD-CG2 3.94Å; I50-V58 HydrophobicContact CG2-CG2 4.4Å; I55-V58 HydrophobicContact CG2-CG2 4.24Å
59	E	96	Very high	93.5	Very high	52 Å²	52	64.1 Å²	64.1	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.9	-170.6	-74.7	-71.3	-176.4	0	0	111.8	V30 L31 I32 M33 I57 R65	V30-E59 HydrophobicContact CG1-CG 4.21Å; L31-E59 PolarHBondContact O-N 2.91Å; I32-E59 WeakPolarHBondContact CA-O 3.44Å; I32-E59 HydrophobicContact CG1-CB 4.36Å; M33-E59 PolarHBondContact N-O 3.48Å; I57-E59 HydrophobicContact CD1-CG 4.35Å; I57-E59 VanDerWaalsContact CD1-OE1 3.28Å; I57-E59 WeakPolarHBondContact CD1-OE1 3.4Å; I57-E59 HydrophobicContact CG1-CG 4.24Å; I57-E59 HydrophobicContact CG2-CG 4.44Å; E59-R65 HydrophobicContact CB-CG 4.26Å; E59-R65 HydrophobicContact CG-CG 4.4Å
60	D	96.3	Very high	93.6	Very high	9 Å²	9	65.6 Å²	65.6	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.1	176.7	-179.5	-9.7	0	0	0	110.3	M33 H35 M38 N62 K63 R65	M33-D60 WeakPolarHBondContact O-CA 3.37Å; H35-D60 IonicContact CE1-OD2 2.7Å; H35-D60 PolarHBondContact CE1-OD2 3.42Å; H35-D60 IonicContact ND1-OD2 3.09Å; H35-D60 IonicContact NE2-OD2 3.33Å; M38-D60 HydrophobicContact CE-CB 4.25Å; D60-N62 PolarHBondContact O-N 3.34Å; D60-N62 WeakPolarHBondContact OD1-CB 3.42Å; D60-N62 PolarHBondContact OD1-N 2.89Å; D60-N62 PolarHBondContact OD1-ND2 2.96Å; D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 4.05Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 PolarHBondContact O-N 3.44Å; D60-K63 VanDerWaalsContact O-N 3.09Å; D60-K63 WeakPolarHBondContact OD2-CE 3.1Å; D60-R65 VanDerWaalsContact O-CD 3.31Å; D60-R65 WeakPolarHBondContact O-CD 3.4Å; D60-R65 PolarHBondContact O-NE 3.46Å
61	I	97	Very high	93.7	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.5	-178.4	-160.3	171.3	0	0	0	113	I32 M33 D34 K63 R65 Y75 L77 A86 L87	I32-I61 HydrophobicContact CG2-CB 3.74Å; I32-I61 HydrophobicContact CG2-CD1 4.45Å; I32-I61 HydrophobicContact CG2-CG1 4.02Å; M33-I61 PolarHBondContact O-N 3.1Å; D34-I61 HydrophobicContact CB-CG2 3.89Å; I61-K63 VanDerWaalsContact C-N 3.31Å; I61-R65 PolarHBondContact O-NH2 3.24Å; I61-Y75 HydrophobicContact CD1-CD1 4.11Å; I61-Y75 HydrophobicContact CD1-CE1 4.21Å; I61-L77 HydrophobicContact CB-CD2 4.25Å; I61-L77 HydrophobicContact CD1-CD1 3.59Å; I61-L77 HydrophobicContact CD1-CD2 3.71Å; I61-L77 HydrophobicContact CD1-CG 4.32Å; I61-L77 HydrophobicContact CG2-CD2 4.08Å; I61-A86 HydrophobicContact CD1-CB 3.96Å; I61-A86 HydrophobicContact CG1-CB 3.78Å; I61-L87 HydrophobicContact CD1-CB 4.07Å
62	N	94.3	Very high	93.9	Very high	52 Å²	52	63.1 Å²	63.1	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.4	-178.3	-58.8	-78.3	0	0	0	112.8	D60 K82	D60-N62 PolarHBondContact O-N 3.34Å; D60-N62 WeakPolarHBondContact OD1-CB 3.42Å; D60-N62 PolarHBondContact OD1-N 2.89Å; D60-N62 PolarHBondContact OD1-ND2 2.96Å; N62-K82 WeakPolarHBondContact OD1-CE 3.47Å; N62-K82 PolarHBondContact OD1-NZ 2.9Å
63	K	94.1	Very high	94.2	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	31%	0.306	S	S	*	.	S	Bend	trans	-95.5	153.6	178.2	-66	-177	-174.4	175.3	0	110.6	D60 I61 R65	D60-K63 HydrophobicContact CB-CB 4.27Å; D60-K63 HydrophobicContact CB-CD 4.05Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 PolarHBondContact O-N 3.44Å; D60-K63 VanDerWaalsContact O-N 3.09Å; D60-K63 WeakPolarHBondContact OD2-CE 3.1Å; I61-K63 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 3.49Å; K63-R65 PolarHBondContact O-NE 2.64Å
64	R	90.9	Very high	94.5	Very high	253 Å²	253	58.5 Å²	58.5	96%	0.955	30%	0.299	S	S	*	.			trans	-68.4	125.7	171.6	-175.5	175.7	-177.9	-109.9	0.1	108.6
65	R	93.1	Very high	94.7	Very high	30 Å²	30	57.8 Å²	57.8	11%	0.113	29%	0.292	C	S	.	.			trans	-116.4	155.2	-175.7	-70.4	161.4	-73.9	135.1	1.3	110.9	E59 D60 I61 K63 D90 Y99	E59-R65 HydrophobicContact CB-CG 4.26Å; E59-R65 HydrophobicContact CG-CG 4.4Å; D60-R65 VanDerWaalsContact O-CD 3.31Å; D60-R65 WeakPolarHBondContact O-CD 3.4Å; D60-R65 PolarHBondContact O-NE 3.46Å; I61-R65 PolarHBondContact O-NH2 3.24Å; K63-R65 PolarHBondContact O-N 3.49Å; K63-R65 PolarHBondContact O-NE 2.64Å; R65-D90 IonicContact CZ-OD1 2.92Å; R65-D90 IonicContact CZ-OD2 2.88Å; R65-D90 IonicContact NH1-OD1 2.7Å; R65-D90 IonicContact NH1-OD2 2.99Å; R65-D90 PolarHBondContact NH1-OD2 2.99Å; R65-D90 IonicContact NH2-OD1 3.22Å; R65-D90 PolarHBondContact NH2-OD1 2.79Å; R65-D90 IonicContact NH2-OD2 3Å; R65-D90 PolarHBondContact NH2-OD2 2.77Å; R65-D90 VanDerWaalsContact NH2-OD2 3.12Å; R65-Y99 PolarHBondContact NH1-OH 3.15Å
66	E	90.3	Very high	94.8	Very high	157 Å²	157	57.9 Å²	57.9	73%	0.734	29%	0.293	S	S	*	.			trans	-76.6	132.4	173.2	-66	-171.4	171	0	0	110.2	I68	E66-I68 PolarHBondContact O-N 2.94Å
67	P	91.9	Very high	95	Very high	86 Å²	86	54.2 Å²	54.2	56%	0.558	27%	0.27	S	S	*	.			trans	-63.2	126.5	172.4	-24.8	36	0	0	0	111.7	T98	P67-T98 CarbonylContact C-O 3.48Å; P67-T98 HydrophobicContact CB-CG2 4.33Å
68	I	93.9	Very high	95	Very high	47 Å²	47	52 Å²	52	24%	0.241	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-125	76.1	174	-45.4	177.3	0	0	0	109.4	V30 E66 S70 L71 T98 Y99	V30-I68 HydrophobicContact CG2-CD1 4.37Å; E66-I68 PolarHBondContact O-N 2.94Å; I68-S70 PolarHBondContact O-N 3.33Å; I68-L71 HydrophobicContact CG2-CB 4.03Å; I68-L71 HydrophobicContact CG2-CD1 3.85Å; I68-L71 HydrophobicContact CG2-CG 3.71Å; I68-L71 PolarHBondContact O-N 3.39Å; I68-L71 VanDerWaalsContact O-N 3.17Å; I68-T98 CarbonylContact C-O 3.52Å; I68-T98 PolarHBondContact N-O 3.39Å; I68-Y99 HydrophobicContact CB-CD1 4.47Å; I68-Y99 HydrophobicContact CB-CE1 4.46Å
69	P	92.6	Very high	94.9	Very high	62 Å²	62	51.1 Å²	51.1	40%	0.403	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-10.2	-174.5	-19.3	32.6	0	0	0	114.5	K100	P69-K100 VanDerWaalsContact O-CB 3.3Å; P69-K100 WeakPolarHBondContact O-CB 3.05Å
70	S	93.4	Very high	94.8	Very high	90 Å²	90	51.7 Å²	51.7	63%	0.629	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-25.3	176.9	55.1	0	0	0	0	113.3	I68	I68-S70 PolarHBondContact O-N 3.33Å
71	L	95.4	Very high	94.6	Very high	40 Å²	40	57.7 Å²	57.7	21%	0.209	29%	0.291	C	S	.	.	S	Bend	trans	-102.7	151.9	-175.6	-62.2	-175.1	0	0	0	112.1	V30 T56 I68 K100	V30-L71 HydrophobicContact CG2-CB 4.12Å; V30-L71 HydrophobicContact CG2-CD1 3.86Å; T56-L71 HydrophobicContact CG2-CD1 3.9Å; I68-L71 HydrophobicContact CG2-CB 4.03Å; I68-L71 HydrophobicContact CG2-CD1 3.85Å; I68-L71 HydrophobicContact CG2-CG 3.71Å; I68-L71 PolarHBondContact O-N 3.39Å; I68-L71 VanDerWaalsContact O-N 3.17Å; L71-K100 VanDerWaalsContact O-CB 3.24Å; L71-K100 WeakPolarHBondContact O-CB 3.48Å; L71-K100 PolarHBondContact O-N 2.88Å
72	E	96.5	Very high	94.5	Very high	6 Å²	6	64 Å²	64	3%	0.028	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	147.1	170.3	-58.6	-176.2	-174.3	0	0	109.4	K29 V30 K100 A101 H103 K128	K29-E72 WeakPolarHBondContact CA-O 3.26Å; K29-E72 WeakPolarHBondContact CB-O 3.38Å; K29-E72 HydrophobicContact CD-CB 4.4Å; K29-E72 HydrophobicContact CG-CB 4.29Å; V30-E72 PolarHBondContact N-O 2.91Å; E72-K100 HydrophobicContact CG-CB 4.16Å; E72-K100 HydrophobicContact CG-CD 4.03Å; E72-K100 HydrophobicContact CG-CG 4.43Å; E72-K100 IonicContact OE1-NZ 2.59Å; E72-K100 PolarHBondContact OE1-NZ 3.36Å; E72-A101 HydrophobicContact CG-CB 4.1Å; E72-H103 IonicContact OE2-NE2 2.85Å; E72-H103 PolarHBondContact OE2-NE2 2.92Å; E72-K128 IonicContact OE1-NZ 3.06Å; E72-K128 PolarHBondContact OE1-NZ 3.14Å; E72-K128 IonicContact OE2-NZ 3.28Å; E72-K128 PolarHBondContact OE2-NZ 3.19Å
73	A	97.4	Very high	94.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.9	-176.4	0	0	0	0	0	111.4	V30 I32 Y75 Y99 A101 A102 H103	V30-A73 CarbonylContact O-C 3.46Å; V30-A73 WeakPolarHBondContact O-CA 3.45Å; I32-A73 HydrophobicContact CD1-CB 3.61Å; A73-Y75 HydrophobicContact CB-CD2 4.26Å; A73-Y75 HydrophobicContact CB-CE2 3.65Å; A73-Y99 HydrophobicContact CB-CD1 3.95Å; A73-Y99 HydrophobicContact CB-CD2 3.82Å; A73-Y99 HydrophobicContact CB-CE1 4.44Å; A73-Y99 HydrophobicContact CB-CE2 4.32Å; A73-Y99 HydrophobicContact CB-CG 3.6Å; A73-A101 PolarHBondContact N-O 3.13Å; A73-A102 CarbonylContact O-C 3.54Å; A73-A102 WeakPolarHBondContact O-CA 3.34Å; A73-H103 PolarHBondContact O-N 3.02Å
74	I	98.1	Very high	94.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.3	169.7	-54.2	173.9	0	0	0	107.1	V18 V22 K29 V30 L31 I32 I55 H103 F105	V18-I74 HydrophobicContact CG1-CG2 3.95Å; V22-I74 HydrophobicContact CG2-CD1 3.31Å; V22-I74 HydrophobicContact CG2-CG1 3.8Å; K29-I74 HydrophobicContact CB-CD1 4.25Å; K29-I74 HydrophobicContact CB-CG1 4.28Å; K29-I74 HydrophobicContact CD-CD1 4.07Å; K29-I74 HydrophobicContact CD-CG1 4Å; V30-I74 PolarHBondContact O-N 3.44Å; L31-I74 CarbonylContact C-O 3.59Å; L31-I74 HydrophobicContact CD1-CB 4.08Å; L31-I74 HydrophobicContact CD1-CG2 3.95Å; I32-I74 PolarHBondContact N-O 3.27Å; I55-I74 HydrophobicContact CD1-CD1 3.53Å; I74-H103 CarbonylContact C-O 3.6Å; I74-H103 WeakPolarHBondContact CA-O 3.45Å; I74-H103 HydrophobicContact CG1-CB 4.43Å; I74-F105 HydrophobicContact CG2-CD2 3.94Å; I74-F105 HydrophobicContact CG2-CE2 4.04Å
75	Y	98.2	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.3	175.2	-69.3	-92.8	0	0	0	108.3	I32 I61 A73 L77 L87 D90 F91 Y99 A102 H103 V104 F105	I32-Y75 HydrophobicContact CB-CD1 3.76Å; I32-Y75 HydrophobicContact CB-CE1 3.94Å; I32-Y75 HydrophobicContact CB-CG 4.39Å; I32-Y75 HydrophobicContact CD1-CD1 4.01Å; I32-Y75 HydrophobicContact CD1-CE1 3.4Å; I32-Y75 VanDerWaalsContact CD1-CE1 3.4Å; I32-Y75 HydrophobicContact CD1-CE2 3.96Å; I32-Y75 HydrophobicContact CG1-CE1 4.28Å; I32-Y75 HydrophobicContact CG2-CD1 3.73Å; I32-Y75 HydrophobicContact CG2-CE1 3.74Å; I32-Y75 WeakPolarHBondContact O-CA 3.36Å; I61-Y75 HydrophobicContact CD1-CD1 4.11Å; I61-Y75 HydrophobicContact CD1-CE1 4.21Å; A73-Y75 HydrophobicContact CB-CD2 4.26Å; A73-Y75 HydrophobicContact CB-CE2 3.65Å; Y75-L77 HydrophobicContact CD1-CD1 4.02Å; Y75-L77 HydrophobicContact CG-CD1 4.41Å; Y75-L87 HydrophobicContact CD1-CD1 3.66Å; Y75-L87 HydrophobicContact CD2-CD1 3.8Å; Y75-L87 HydrophobicContact CE1-CD1 3.54Å; Y75-L87 HydrophobicContact CE2-CD1 3.71Å; Y75-L87 HydrophobicContact CG-CD1 3.76Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.46Å; Y75-D90 PolarHBondContact OH-OD2 3.37Å; Y75-F91 HydrophobicContact CE2-CE2 4.06Å; Y75-F91 HydrophobicContact CE2-CZ 4.22Å; Y75-F91 AromaticContact CZ-CE2 3.94Å; Y75-F91 VanDerWaalsContact OH-CE2 3.29Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.45Å; Y75-Y99 VanDerWaalsContact OH-CD2 3.23Å; Y75-Y99 WeakPolarHBondContact OH-CD2 3.33Å; Y75-Y99 WeakPolarHBondContact OH-CE2 3.05Å; Y75-A102 HydrophobicContact CD2-CB 4.02Å; Y75-A102 HydrophobicContact CE2-CB 3.83Å; Y75-H103 PolarHBondContact N-O 3.33Å; Y75-V104 HydrophobicContact CD2-CG2 4.5Å; Y75-F105 PolarHBondContact O-N 3.26Å
76	L	97.8	Very high	95	Very high	7 Å²	7	45 Å²	45	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	102.4	169.9	176.2	66	0	0	0	107.5	I14 L31 I32 M33 S37 F105 T107 I133	I14-L76 HydrophobicContact CG2-CD2 4.42Å; L31-L76 HydrophobicContact CD1-CB 4.4Å; I32-L76 PolarHBondContact O-N 3.2Å; M33-L76 WeakPolarHBondContact CA-O 3.31Å; M33-L76 HydrophobicContact CG-CB 4.13Å; M33-L76 HydrophobicContact SD-CD2 4.16Å; S37-L76 WeakPolarHBondContact CB-O 3.44Å; S37-L76 PolarHBondContact OG-O 3.02Å; L76-F105 WeakPolarHBondContact CA-O 3.33Å; L76-F105 HydrophobicContact CD1-CB 4.09Å; L76-T107 HydrophobicContact CD1-CG2 4.26Å; L76-I133 HydrophobicContact CD1-CD1 3.31Å
77	L	97.1	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.1	-165.6	-56.7	175.5	0	0	0	111.9	D34 I61 Y75 L87 F105 F106 T107	D34-L77 HydrophobicContact CB-CD2 4.21Å; I61-L77 HydrophobicContact CB-CD2 4.25Å; I61-L77 HydrophobicContact CD1-CD1 3.59Å; I61-L77 HydrophobicContact CD1-CD2 3.71Å; I61-L77 HydrophobicContact CD1-CG 4.32Å; I61-L77 HydrophobicContact CG2-CD2 4.08Å; Y75-L77 HydrophobicContact CD1-CD1 4.02Å; Y75-L77 HydrophobicContact CG-CD1 4.41Å; L77-L87 HydrophobicContact CD1-CB 4.14Å; L77-L87 HydrophobicContact CD1-CD2 4.17Å; L77-F105 PolarHBondContact N-O 3.14Å; L77-F106 HydrophobicContact CB-CD1 4.37Å; L77-F106 HydrophobicContact CB-CE1 4.48Å; L77-F106 CarbonylContact O-C 3.54Å; L77-F106 VanDerWaalsContact O-CA 3.25Å; L77-F106 WeakPolarHBondContact O-CA 3.42Å; L77-T107 PolarHBondContact O-N 2.92Å; L77-T107 PolarHBondContact O-OG1 3.19Å
78	S	94.6	Very high	95.4	Very high	18 Å²	18	33.8 Å²	33.8	13%	0.126	19%	0.186	C	C	.	.			trans	-75.3	140	162	-55.9	0	0	0	0	110.1	D34 S37 T80 S83 T107	D34-S78 WeakPolarHBondContact OD2-CB 3.44Å; D34-S78 PolarHBondContact OD2-N 2.93Å; S37-S78 PolarHBondContact OG-N 2.89Å; S78-T80 PolarHBondContact O-N 3.32Å; S78-S83 VanDerWaalsContact O-CB 3.31Å; S78-S83 WeakPolarHBondContact O-CB 3.45Å; S78-T107 VanDerWaalsContact CA-OG1 3.29Å; S78-T107 WeakPolarHBondContact CA-OG1 3.03Å; S78-T107 PolarHBondContact OG-OG1 3.08Å
79	P	94.2	Very high	95.4	Very high	22 Å²	22	33.8 Å²	33.8	14%	0.143	19%	0.193	C	C	.	.			trans	-76.6	56.3	-177.1	33.2	-36.8	0	0	0	112.1	F106 D108 C110 L114	P79-F106 HydrophobicContact CB-CB 4.44Å; P79-F106 HydrophobicContact CB-CD1 3.9Å; P79-F106 HydrophobicContact CB-CE1 4.36Å; P79-F106 HydrophobicContact CB-CG 4.18Å; P79-D108 HydrophobicContact CG-CB 4.14Å; P79-C110 HydrophobicContact CB-CB 4.11Å; P79-L114 WeakPolarHBondContact O-CD1 3.47Å
80	T	93.2	Very high	95.5	Very high	64 Å²	64	31.6 Å²	31.6	39%	0.393	18%	0.178	S	C	.	.			trans	-96.3	154.2	176.7	70.1	0	0	0	0	110.5	S78 K82 S83 V84	S78-T80 PolarHBondContact O-N 3.32Å; T80-K82 PolarHBondContact O-N 2.97Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact OG1-N 3.13Å; T80-S83 PolarHBondContact OG1-OG 2.72Å; T80-V84 WeakPolarHBondContact O-CB 3.39Å; T80-V84 WeakPolarHBondContact O-CG2 3.46Å; T80-V84 PolarHBondContact O-N 3.15Å
81	E	93.8	Very high	95.5	Very high	135 Å²	135	27.4 Å²	27.4	63%	0.631	15%	0.149	S	C	*	.	H	α-helix	trans	-54.8	-42.9	175.5	-174	177.3	-179.3	0	0	111.3	S83 V84 Q85 L114	E81-S83 PolarHBondContact O-N 2.8Å; E81-V84 PolarHBondContact O-N 3.44Å; E81-Q85 HydrophobicContact CG-CG 4.16Å; E81-Q85 VanDerWaalsContact O-CB 3.28Å; E81-Q85 WeakPolarHBondContact O-CB 3.19Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å; E81-Q85 PolarHBondContact O-N 3.45Å; E81-L114 HydrophobicContact CB-CD2 4.18Å; E81-L114 HydrophobicContact CG-CD2 4.31Å
82	K	94.3	Very high	95.1	Very high	138 Å²	138	32 Å²	32	60%	0.6	16%	0.163	S	C	*	.	H	α-helix	trans	-58.4	-50.3	178.1	-168.6	-174.7	-175.4	-165.2	0	112.2	N62 T80 A86	N62-K82 WeakPolarHBondContact OD1-CE 3.47Å; N62-K82 PolarHBondContact OD1-NZ 2.9Å; T80-K82 PolarHBondContact O-N 2.97Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 3.21Å
83	S	95.8	Very high	94.1	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-41.2	-178.7	-60.9	0	0	0	0	111.7	D34 S78 T80 E81 A86 L87	D34-S83 PolarHBondContact OD2-OG 3.44Å; S78-S83 VanDerWaalsContact O-CB 3.31Å; S78-S83 WeakPolarHBondContact O-CB 3.45Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact OG1-N 3.13Å; T80-S83 PolarHBondContact OG1-OG 2.72Å; E81-S83 PolarHBondContact O-N 2.8Å; S83-A86 PolarHBondContact O-N 3.5Å; S83-L87 WeakPolarHBondContact O-CB 3.24Å; S83-L87 PolarHBondContact O-N 3.06Å
84	V	95.7	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-42.8	178.8	173.8	0	0	0	0	111.5	T80 E81 L87 I88 F106 L114 L118	T80-V84 WeakPolarHBondContact O-CB 3.39Å; T80-V84 WeakPolarHBondContact O-CG2 3.46Å; T80-V84 PolarHBondContact O-N 3.15Å; E81-V84 PolarHBondContact O-N 3.44Å; V84-L87 WeakPolarHBondContact O-CB 3.26Å; V84-L87 PolarHBondContact O-N 2.89Å; V84-I88 HydrophobicContact CG1-CD1 4Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 3.29Å; V84-F106 HydrophobicContact CG2-CE1 3.99Å; V84-F106 HydrophobicContact CG2-CZ 4.04Å; V84-L114 HydrophobicContact CG1-CB 4.47Å; V84-L114 HydrophobicContact CG2-CB 4.4Å; V84-L114 HydrophobicContact CG2-CD1 4.28Å; V84-L118 HydrophobicContact CG1-CD1 4.42Å
85	Q	95.4	Very high	91.3	Very high	46 Å²	46	45 Å²	45	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-42.5	175.9	-72.9	-59.4	-28.3	0	0	112.2	E81 L87 I88 A89 E117	E81-Q85 HydrophobicContact CG-CG 4.16Å; E81-Q85 VanDerWaalsContact O-CB 3.28Å; E81-Q85 WeakPolarHBondContact O-CB 3.19Å; E81-Q85 WeakPolarHBondContact O-CG 3.4Å; E81-Q85 PolarHBondContact O-N 3.45Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-I88 PolarHBondContact O-N 3.22Å; Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 2.91Å; Q85-E117 PolarHBondContact NE2-OE1 3.01Å; Q85-E117 PolarHBondContact NE2-OE2 3.02Å
86	A	95.5	Very high	90.3	Very high	23 Å²	23	49.5 Å²	49.5	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-40.6	176.9	0	0	0	0	0	111.5	I61 K82 S83 A89 D90	I61-A86 HydrophobicContact CD1-CB 3.96Å; I61-A86 HydrophobicContact CG1-CB 3.78Å; K82-A86 WeakPolarHBondContact O-CB 3.46Å; K82-A86 PolarHBondContact O-N 3.21Å; S83-A86 PolarHBondContact O-N 3.5Å; A86-A89 WeakPolarHBondContact O-CB 3.27Å; A86-A89 PolarHBondContact O-N 3.47Å; A86-D90 PolarHBondContact O-N 2.96Å
87	L	96.3	Very high	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-45.9	173.1	167.1	61.3	0	0	0	111.4	I61 Y75 L77 S83 V84 Q85 A89 D90 F91 V104 L118 L123	I61-L87 HydrophobicContact CD1-CB 4.07Å; Y75-L87 HydrophobicContact CD1-CD1 3.66Å; Y75-L87 HydrophobicContact CD2-CD1 3.8Å; Y75-L87 HydrophobicContact CE1-CD1 3.54Å; Y75-L87 HydrophobicContact CE2-CD1 3.71Å; Y75-L87 HydrophobicContact CG-CD1 3.76Å; L77-L87 HydrophobicContact CD1-CB 4.14Å; L77-L87 HydrophobicContact CD1-CD2 4.17Å; S83-L87 WeakPolarHBondContact O-CB 3.24Å; S83-L87 PolarHBondContact O-N 3.06Å; V84-L87 WeakPolarHBondContact O-CB 3.26Å; V84-L87 PolarHBondContact O-N 2.89Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 3.26Å; L87-D90 PolarHBondContact O-N 3.15Å; L87-F91 HydrophobicContact CD1-CE2 4.21Å; L87-F91 WeakPolarHBondContact O-CD2 3.3Å; L87-V104 HydrophobicContact CD1-CG2 4.4Å; L87-V104 HydrophobicContact CD2-CG1 3.94Å; L87-V104 HydrophobicContact CD2-CG2 3.93Å; L87-L118 HydrophobicContact CD2-CD1 4.05Å; L87-L123 HydrophobicContact CD1-CD1 4.42Å; L87-L123 HydrophobicContact CD1-CD2 3.73Å; L87-L123 HydrophobicContact CD2-CD2 3.91Å; L87-L123 HydrophobicContact CG-CD2 3.45Å; L87-L123 VanDerWaalsContact CG-CD2 3.45Å
88	I	95.1	Very high	89.7	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-39.8	176.2	-69.2	168	0	0	0	110.5	V84 Q85 D90 F91 R92 E117 L118 L123	V84-I88 HydrophobicContact CG1-CD1 4Å; V84-I88 WeakPolarHBondContact O-CG1 3.38Å; V84-I88 PolarHBondContact O-N 3.29Å; Q85-I88 PolarHBondContact O-N 3.22Å; I88-D90 VanDerWaalsContact C-N 3.31Å; I88-D90 PolarHBondContact O-N 2.91Å; I88-F91 PolarHBondContact O-N 2.83Å; I88-F91 VanDerWaalsContact O-N 3.13Å; I88-R92 HydrophobicContact CG2-CG 4.3Å; I88-R92 PolarHBondContact O-N 2.73Å; I88-E117 HydrophobicContact CD1-CG 4Å; I88-L118 HydrophobicContact CD1-CD1 4.45Å; I88-L118 HydrophobicContact CG1-CD1 4.02Å; I88-L123 HydrophobicContact CG1-CD2 4.46Å
89	A	93.7	Very high	89.7	Confident	47 Å²	47	52.6 Å²	52.6	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-35.3	-178	0	0	0	0	0	113.2	Q85 A86 L87 F91 R92	Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 2.91Å; A86-A89 WeakPolarHBondContact O-CB 3.27Å; A86-A89 PolarHBondContact O-N 3.47Å; L87-A89 VanDerWaalsContact C-N 3.28Å; L87-A89 PolarHBondContact O-N 3.26Å; A89-F91 PolarHBondContact O-N 3.32Å; A89-R92 PolarHBondContact O-N 3Å; A89-R92 VanDerWaalsContact O-N 3.16Å
90	D	94.3	Very high	89.7	Confident	16 Å²	16	56.7 Å²	56.7	9%	0.086	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.9	176.4	-77.2	-6.6	0	0	0	113.3	R65 Y75 A86 L87 I88 T98	R65-D90 IonicContact CZ-OD1 2.92Å; R65-D90 IonicContact CZ-OD2 2.88Å; R65-D90 IonicContact NH1-OD1 2.7Å; R65-D90 IonicContact NH1-OD2 2.99Å; R65-D90 PolarHBondContact NH1-OD2 2.99Å; R65-D90 IonicContact NH2-OD1 3.22Å; R65-D90 PolarHBondContact NH2-OD1 2.79Å; R65-D90 IonicContact NH2-OD2 3Å; R65-D90 PolarHBondContact NH2-OD2 2.77Å; R65-D90 VanDerWaalsContact NH2-OD2 3.12Å; Y75-D90 WeakPolarHBondContact CE1-OD2 3.46Å; Y75-D90 PolarHBondContact OH-OD2 3.37Å; A86-D90 PolarHBondContact O-N 2.96Å; L87-D90 PolarHBondContact O-N 3.15Å; I88-D90 VanDerWaalsContact C-N 3.31Å; I88-D90 PolarHBondContact O-N 2.91Å; D90-T98 WeakPolarHBondContact O-CB 2.83Å; D90-T98 PolarHBondContact O-N 3.06Å; D90-T98 VanDerWaalsContact O-N 3.16Å; D90-T98 PolarHBondContact O-OG1 2.94Å
91	F	93.1	Very high	89.8	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	17.6	-177.1	-57.2	-90.8	0	0	0	112.9	Y75 L87 I88 A89 F97 Y99 A102 L123 V126	Y75-F91 HydrophobicContact CE2-CE2 4.06Å; Y75-F91 HydrophobicContact CE2-CZ 4.22Å; Y75-F91 AromaticContact CZ-CE2 3.94Å; Y75-F91 VanDerWaalsContact OH-CE2 3.29Å; Y75-F91 WeakPolarHBondContact OH-CE2 3.45Å; L87-F91 HydrophobicContact CD1-CE2 4.21Å; L87-F91 WeakPolarHBondContact O-CD2 3.3Å; I88-F91 PolarHBondContact O-N 2.83Å; I88-F91 VanDerWaalsContact O-N 3.13Å; A89-F91 PolarHBondContact O-N 3.32Å; F91-F97 HydrophobicContact CB-CD1 4.16Å; F91-F97 HydrophobicContact CB-CE1 4.44Å; F91-F97 HydrophobicContact CB-CG 4.41Å; F91-F97 HydrophobicContact CD1-CB 3.7Å; F91-F97 HydrophobicContact CD1-CD1 4.38Å; F91-F97 HydrophobicContact CD1-CD2 4.01Å; F91-F97 AromaticContact CD1-CG 3.79Å; F91-F97 HydrophobicContact CD1-CG 3.79Å; F91-F97 HydrophobicContact CE1-CB 4.23Å; F91-F97 WeakPolarHBondContact O-CE1 3.39Å; F91-Y99 HydrophobicContact CZ-CD2 4.32Å; F91-A102 HydrophobicContact CE2-CB 4.24Å; F91-A102 HydrophobicContact CZ-CB 3.93Å; F91-L123 HydrophobicContact CB-CB 4.04Å; F91-L123 HydrophobicContact CD1-CD1 4.47Å; F91-L123 HydrophobicContact CD2-CB 4.27Å; F91-L123 HydrophobicContact CD2-CD1 3.54Å; F91-L123 HydrophobicContact CD2-CD2 4.46Å; F91-L123 HydrophobicContact CD2-CG 4.31Å; F91-L123 HydrophobicContact CE2-CD1 3.67Å; F91-L123 HydrophobicContact CG-CB 4.3Å; F91-L123 HydrophobicContact CG-CD1 3.96Å; F91-L123 HydrophobicContact CZ-CD1 4.21Å; F91-V126 HydrophobicContact CD1-CG2 3.49Å; F91-V126 VanDerWaalsContact CD1-CG2 3.49Å; F91-V126 HydrophobicContact CE1-CG2 3.68Å; F91-V126 HydrophobicContact CG-CG2 4.16Å; F91-V126 HydrophobicContact CZ-CG2 4.48Å
92	R	87.2	Confident	90	Very high	138 Å²	138	47.4 Å²	47.4	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-34.2	171.6	-76	-178.3	-176.3	165	7.4	112.6	I88 A89	I88-R92 HydrophobicContact CG2-CG 4.3Å; I88-R92 PolarHBondContact O-N 2.73Å; A89-R92 PolarHBondContact O-N 3Å; A89-R92 VanDerWaalsContact O-N 3.16Å
93	G	74.9	Confident	90.2	Very high	40 Å²	40	41.3 Å²	41.3	41%	0.412	24%	0.236	S	C	.	.			trans	-61.6	149.7	-171.1	0	0	0	0	0	115.5
94	T	66.8	Low	90.3	Very high	108 Å²	108	41.1 Å²	41.1	66%	0.663	24%	0.235	S	C	*	.	S	Bend	trans	-126.3	140.3	171.6	51.5	0	0	0	0	109.3	R122	T94-R122 VanDerWaalsContact CG2-NH1 3.32Å
95	P	71.3	Confident	90.4	Very high	132 Å²	132	41.1 Å²	41.1	86%	0.857	24%	0.235	S	C	*	.	S	Bend	cis	-91	-12.4	10.8	34.3	-34	0	0	0	115.1
96	T	77.3	Confident	90.5	Very high	93 Å²	93	39.1 Å²	39.1	57%	0.571	23%	0.225	S	C	*	.	S	Bend	trans	-122.8	137.1	-176.8	53.1	0	0	0	0	111.2
97	F	89.2	Confident	90.4	Very high	61 Å²	61	38.4 Å²	38.4	27%	0.268	22%	0.219	S	C	.	.			trans	-70.3	160.3	170.6	-60.5	-38.4	0	0	0	111.5	F91 Y99 V126	F91-F97 HydrophobicContact CB-CD1 4.16Å; F91-F97 HydrophobicContact CB-CE1 4.44Å; F91-F97 HydrophobicContact CB-CG 4.41Å; F91-F97 HydrophobicContact CD1-CB 3.7Å; F91-F97 HydrophobicContact CD1-CD1 4.38Å; F91-F97 HydrophobicContact CD1-CD2 4.01Å; F91-F97 AromaticContact CD1-CG 3.79Å; F91-F97 HydrophobicContact CD1-CG 3.79Å; F91-F97 HydrophobicContact CE1-CB 4.23Å; F91-F97 WeakPolarHBondContact O-CE1 3.39Å; F97-Y99 PolarHBondContact O-N 3.18Å; F97-V126 HydrophobicContact CD2-CG1 3.94Å; F97-V126 HydrophobicContact CE2-CG1 3.66Å
98	T	92.2	Very high	90.2	Very high	27 Å²	27	39.5 Å²	39.5	17%	0.166	22%	0.224	C	C	.	.	S	Bend	trans	-61.2	-35.6	177.7	-56.2	0	0	0	0	111.8	P67 I68 D90	P67-T98 CarbonylContact C-O 3.48Å; P67-T98 HydrophobicContact CB-CG2 4.33Å; I68-T98 CarbonylContact C-O 3.52Å; I68-T98 PolarHBondContact N-O 3.39Å; D90-T98 WeakPolarHBondContact O-CB 2.83Å; D90-T98 PolarHBondContact O-N 3.06Å; D90-T98 VanDerWaalsContact O-N 3.16Å; D90-T98 PolarHBondContact O-OG1 2.94Å
99	Y	95.4	Very high	90	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.012	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-133.6	161.2	178.8	-55.8	-75.4	0	0	0	111.5	V30 I32 R65 I68 A73 Y75 F91 F97	V30-Y99 HydrophobicContact CB-CE1 4.21Å; V30-Y99 HydrophobicContact CG1-CE1 4.13Å; V30-Y99 HydrophobicContact CG2-CD1 4.41Å; V30-Y99 HydrophobicContact CG2-CE1 4.06Å; I32-Y99 HydrophobicContact CD1-CD2 4.01Å; I32-Y99 HydrophobicContact CD1-CE1 4.33Å; I32-Y99 HydrophobicContact CD1-CE2 3.31Å; I32-Y99 VanDerWaalsContact CD1-CZ 3.49Å; R65-Y99 PolarHBondContact NH1-OH 3.15Å; I68-Y99 HydrophobicContact CB-CD1 4.47Å; I68-Y99 HydrophobicContact CB-CE1 4.46Å; A73-Y99 HydrophobicContact CB-CD1 3.95Å; A73-Y99 HydrophobicContact CB-CD2 3.82Å; A73-Y99 HydrophobicContact CB-CE1 4.44Å; A73-Y99 HydrophobicContact CB-CE2 4.32Å; A73-Y99 HydrophobicContact CB-CG 3.6Å; Y75-Y99 VanDerWaalsContact OH-CD2 3.23Å; Y75-Y99 WeakPolarHBondContact OH-CD2 3.33Å; Y75-Y99 WeakPolarHBondContact OH-CE2 3.05Å; F91-Y99 HydrophobicContact CZ-CD2 4.32Å; F97-Y99 PolarHBondContact O-N 3.18Å
100	K	94.1	Very high	90	Very high	108 Å²	108	40.7 Å²	40.7	47%	0.47	23%	0.228	S	C	.	.	S	Bend	trans	-64.3	-43.3	-179.5	-171.9	-177.4	172.5	-163.7	0	112.9	P69 L71 E72	P69-K100 VanDerWaalsContact O-CB 3.3Å; P69-K100 WeakPolarHBondContact O-CB 3.05Å; L71-K100 VanDerWaalsContact O-CB 3.24Å; L71-K100 WeakPolarHBondContact O-CB 3.48Å; L71-K100 PolarHBondContact O-N 2.88Å; E72-K100 HydrophobicContact CG-CB 4.16Å; E72-K100 HydrophobicContact CG-CD 4.03Å; E72-K100 HydrophobicContact CG-CG 4.43Å; E72-K100 IonicContact OE1-NZ 2.59Å; E72-K100 PolarHBondContact OE1-NZ 3.36Å
101	A	95.1	Very high	89.9	Confident	3 Å²	3	42.9 Å²	42.9	3%	0.025	24%	0.243	C	C	.	.			trans	-160.2	162.7	-177.9	0	0	0	0	0	110.7	E72 A73 V126 K128	E72-A101 HydrophobicContact CG-CB 4.1Å; A73-A101 PolarHBondContact N-O 3.13Å; A101-V126 WeakPolarHBondContact CA-O 3.36Å; A101-V126 WeakPolarHBondContact CB-O 3.33Å; A101-K128 HydrophobicContact CB-CD 3.87Å; A101-K128 VanDerWaalsContact CB-CE 3.49Å; A101-K128 HydrophobicContact CB-CG 4.06Å
102	A	97.3	Very high	89.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.8	-178.4	0	0	0	0	0	112.5	A73 Y75 F91 V104 L123 V126 V127 K128	A73-A102 CarbonylContact O-C 3.54Å; A73-A102 WeakPolarHBondContact O-CA 3.34Å; Y75-A102 HydrophobicContact CD2-CB 4.02Å; Y75-A102 HydrophobicContact CE2-CB 3.83Å; F91-A102 HydrophobicContact CE2-CB 4.24Å; F91-A102 HydrophobicContact CZ-CB 3.93Å; A102-V104 HydrophobicContact CB-CG2 4.21Å; A102-L123 HydrophobicContact CB-CD1 3.74Å; A102-V126 PolarHBondContact N-O 2.93Å; A102-V127 HydrophobicContact CB-CG2 4.41Å; A102-V127 CarbonylContact O-C 3.18Å; A102-V127 WeakPolarHBondContact O-CA 3.34Å; A102-K128 PolarHBondContact O-N 3.49Å
103	H	97.9	Very high	90.3	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.046	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.9	164.8	-62.5	-88.5	0	0	0	108.2	V22 E72 A73 I74 Y75 F105 T129	V22-H103 HydrophobicContact CG1-CB 4.21Å; E72-H103 IonicContact OE2-NE2 2.85Å; E72-H103 PolarHBondContact OE2-NE2 2.92Å; A73-H103 PolarHBondContact O-N 3.02Å; I74-H103 CarbonylContact C-O 3.6Å; I74-H103 WeakPolarHBondContact CA-O 3.45Å; I74-H103 HydrophobicContact CG1-CB 4.43Å; Y75-H103 PolarHBondContact N-O 3.33Å; H103-F105 HydrophobicContact CB-CE2 3.97Å; H103-T129 PolarHBondContact ND1-OG1 2.91Å
104	V	97.9	Very high	91.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.7	-173	-175.2	0	0	0	0	109.9	Y75 L87 A102 F106 V127 T129 L130 K131	Y75-V104 HydrophobicContact CD2-CG2 4.5Å; L87-V104 HydrophobicContact CD1-CG2 4.4Å; L87-V104 HydrophobicContact CD2-CG1 3.94Å; L87-V104 HydrophobicContact CD2-CG2 3.93Å; A102-V104 HydrophobicContact CB-CG2 4.21Å; V104-F106 HydrophobicContact CG1-CD2 4.44Å; V104-F106 HydrophobicContact CG1-CE1 4.24Å; V104-F106 HydrophobicContact CG1-CE2 4.04Å; V104-F106 HydrophobicContact CG1-CZ 3.92Å; V104-V127 HydrophobicContact CG2-CG2 4.4Å; V104-T129 PolarHBondContact N-O 3.39Å; V104-L130 HydrophobicContact CB-CD1 3.61Å; V104-L130 HydrophobicContact CG1-CD1 3.58Å; V104-L130 CarbonylContact O-C 3.56Å; V104-L130 VanDerWaalsContact O-CA 3.26Å; V104-L130 WeakPolarHBondContact O-CA 3.4Å; V104-K131 PolarHBondContact O-N 3.15Å
105	F	98	Very high	92.6	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.3	175.5	-65.7	-96	0	0	0	108.9	V18 V22 I74 Y75 L76 L77 H103 T129 K131 I133	V18-F105 HydrophobicContact CB-CD1 4.48Å; V18-F105 HydrophobicContact CB-CE1 4.47Å; V18-F105 HydrophobicContact CG1-CB 4.41Å; V18-F105 HydrophobicContact CG1-CD1 4.15Å; V18-F105 HydrophobicContact CG1-CD2 3.7Å; V18-F105 HydrophobicContact CG1-CE1 4.3Å; V18-F105 HydrophobicContact CG1-CE2 3.87Å; V18-F105 HydrophobicContact CG1-CG 3.85Å; V18-F105 HydrophobicContact CG1-CZ 4.17Å; V18-F105 HydrophobicContact CG2-CD1 4.13Å; V18-F105 HydrophobicContact CG2-CE1 4.46Å; V18-F105 HydrophobicContact CG2-CG 4.43Å; V22-F105 HydrophobicContact CG1-CE2 3.98Å; V22-F105 HydrophobicContact CG1-CZ 3.77Å; I74-F105 HydrophobicContact CG2-CD2 3.94Å; I74-F105 HydrophobicContact CG2-CE2 4.04Å; Y75-F105 PolarHBondContact O-N 3.26Å; L76-F105 WeakPolarHBondContact CA-O 3.33Å; L76-F105 HydrophobicContact CD1-CB 4.09Å; L77-F105 PolarHBondContact N-O 3.14Å; H103-F105 HydrophobicContact CB-CE2 3.97Å; F105-T129 HydrophobicContact CZ-CG2 4.11Å; F105-K131 CarbonylContact C-O 3.51Å; F105-K131 VanDerWaalsContact CA-O 3.3Å; F105-K131 WeakPolarHBondContact CA-O 3.25Å; F105-K131 HydrophobicContact CD1-CB 3.96Å; F105-K131 HydrophobicContact CE1-CB 4.16Å; F105-K131 HydrophobicContact CE1-CD 3.99Å; F105-I133 HydrophobicContact CB-CD1 3.78Å; F105-I133 HydrophobicContact CB-CG1 4.3Å; F105-I133 HydrophobicContact CD1-CD1 4.2Å; F105-I133 HydrophobicContact CD1-CG1 4.13Å; F105-I133 HydrophobicContact CG-CD1 4.38Å
106	F	97.6	Very high	93.7	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.1	172.7	-68.1	-60.5	0	0	0	111	L77 P79 V84 V104 D108 C110 L130 K131 I133	L77-F106 HydrophobicContact CB-CD1 4.37Å; L77-F106 HydrophobicContact CB-CE1 4.48Å; L77-F106 CarbonylContact O-C 3.54Å; L77-F106 VanDerWaalsContact O-CA 3.25Å; L77-F106 WeakPolarHBondContact O-CA 3.42Å; P79-F106 HydrophobicContact CB-CB 4.44Å; P79-F106 HydrophobicContact CB-CD1 3.9Å; P79-F106 HydrophobicContact CB-CE1 4.36Å; P79-F106 HydrophobicContact CB-CG 4.18Å; V84-F106 HydrophobicContact CG2-CE1 3.99Å; V84-F106 HydrophobicContact CG2-CZ 4.04Å; V104-F106 HydrophobicContact CG1-CD2 4.44Å; V104-F106 HydrophobicContact CG1-CE1 4.24Å; V104-F106 HydrophobicContact CG1-CE2 4.04Å; V104-F106 HydrophobicContact CG1-CZ 3.92Å; F106-D108 VanDerWaalsContact CB-O 3.26Å; F106-D108 WeakPolarHBondContact CB-O 3.49Å; F106-D108 PolarHBondContact O-N 3.4Å; F106-C110 HydrophobicContact CD2-CB 3.76Å; F106-C110 HydrophobicContact CE2-CB 3.89Å; F106-C110 HydrophobicContact CG-CB 4.39Å; F106-L130 HydrophobicContact CD2-CD1 4.18Å; F106-L130 HydrophobicContact CE2-CD1 3.78Å; F106-K131 PolarHBondContact N-O 2.97Å; F106-I133 PolarHBondContact O-N 3.13Å
107	T	94.6	Very high	94.5	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.055	23%	0.228	C	C	.	.	S	Bend	trans	-68	-25.6	175.1	55.8	0	0	0	0	112	S37 L76 L77 S78 H134 L135	S37-T107 WeakPolarHBondContact OG-CG2 2.97Å; L76-T107 HydrophobicContact CD1-CG2 4.26Å; L77-T107 PolarHBondContact O-N 2.92Å; L77-T107 PolarHBondContact O-OG1 3.19Å; S78-T107 VanDerWaalsContact CA-OG1 3.29Å; S78-T107 WeakPolarHBondContact CA-OG1 3.03Å; S78-T107 PolarHBondContact OG-OG1 3.08Å; T107-H134 CarbonylContact O-C 3.48Å; T107-H134 VanDerWaalsContact O-CA 3.27Å; T107-H134 WeakPolarHBondContact O-CA 3.34Å; T107-H134 PolarHBondContact O-N 3.26Å; T107-L135 WeakPolarHBondContact CB-O 3.39Å; T107-L135 CarbonylContact O-C 3.57Å; T107-L135 PolarHBondContact O-N 3.18Å
108	D	92.2	Very high	94.7	Very high	22 Å²	22	40.7 Å²	40.7	12%	0.118	22%	0.217	C	C	.	.	S	Bend	trans	-143.1	-179.1	178.6	-150.9	-15.3	0	0	0	110.9	P79 F106 C110 H134 A136 Q174	P79-D108 HydrophobicContact CG-CB 4.14Å; F106-D108 VanDerWaalsContact CB-O 3.26Å; F106-D108 WeakPolarHBondContact CB-O 3.49Å; F106-D108 PolarHBondContact O-N 3.4Å; D108-C110 PolarHBondContact O-N 2.97Å; D108-H134 IonicContact OD1-CD2 3.55Å; D108-A136 HydrophobicContact CB-CB 4.4Å; D108-Q174 PolarHBondContact OD1-NE2 2.81Å; D108-Q174 WeakPolarHBondContact OD2-CG 3.44Å
109	T	90.2	Very high	94.7	Very high	70 Å²	70	41.9 Å²	41.9	43%	0.429	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-63.5	127.9	178.6	-69	0	0	0	0	112.2	P111 E132 H134	T109-P111 WeakPolarHBondContact O-CD 3.3Å; T109-E132 VanDerWaalsContact CA-CD 3.49Å; T109-E132 WeakPolarHBondContact CA-OE1 3.27Å; T109-E132 WeakPolarHBondContact CA-OE2 3.33Å; T109-E132 PolarHBondContact OG1-OE2 3.45Å; T109-H134 PolarHBondContact OG1-NE2 3.47Å
110	C	92.6	Very high	94.7	Very high	10 Å²	10	52.2 Å²	52.2	7%	0.068	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-79.4	122.7	-179.1	-170.8	0	0	0	0	110.7	P79 F106 D108 E112 E132	P79-C110 HydrophobicContact CB-CB 4.11Å; F106-C110 HydrophobicContact CD2-CB 3.76Å; F106-C110 HydrophobicContact CE2-CB 3.89Å; F106-C110 HydrophobicContact CG-CB 4.39Å; D108-C110 PolarHBondContact O-N 2.97Å; C110-E112 PolarHBondContact O-N 2.92Å; C110-E132 PolarHBondContact N-OE1 3.23Å
111	P	92.4	Very high	94.6	Very high	62 Å²	62	48 Å²	48	40%	0.403	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-56.6	138	176.4	-25.2	33.8	0	0	0	112.3	T109 P113 L114 F115	T109-P111 WeakPolarHBondContact O-CD 3.3Å; P111-P113 VanDerWaalsContact C-N 3.3Å; P111-P113 VanDerWaalsContact O-N 3.15Å; P111-L114 HydrophobicContact CG-CD1 4.27Å; P111-L114 PolarHBondContact O-N 3.3Å; P111-F115 PolarHBondContact O-N 3.29Å
112	E	93.3	Very high	94.4	Very high	163 Å²	163	54.6 Å²	54.6	76%	0.762	28%	0.283	S	S	*	.	H	α-helix	trans	-51.1	-37.9	-179.4	-65.4	-174.8	171	0	0	114.9	C110 F115 S116	C110-E112 PolarHBondContact O-N 2.92Å; E112-F115 PolarHBondContact O-N 2.91Å; E112-S116 VanDerWaalsContact O-CB 3.28Å; E112-S116 WeakPolarHBondContact O-CB 3.37Å; E112-S116 PolarHBondContact O-N 2.93Å; E112-S116 PolarHBondContact O-OG 3.19Å
113	P	95.3	Very high	94.2	Very high	99 Å²	99	54.6 Å²	54.6	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-44.7	176.4	-24.1	35.3	0	0	0	112.7	P111 S116 E117	P111-P113 VanDerWaalsContact C-N 3.3Å; P111-P113 VanDerWaalsContact O-N 3.15Å; P113-S116 PolarHBondContact O-N 2.81Å; P113-E117 PolarHBondContact O-N 2.94Å
114	L	95	Very high	93.9	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-39.7	179.4	-64.9	-178.2	0	0	0	111.2	P79 E81 V84 P111 E117 L118	P79-L114 WeakPolarHBondContact O-CD1 3.47Å; E81-L114 HydrophobicContact CB-CD2 4.18Å; E81-L114 HydrophobicContact CG-CD2 4.31Å; V84-L114 HydrophobicContact CG1-CB 4.47Å; V84-L114 HydrophobicContact CG2-CB 4.4Å; V84-L114 HydrophobicContact CG2-CD1 4.28Å; P111-L114 HydrophobicContact CG-CD1 4.27Å; P111-L114 PolarHBondContact O-N 3.3Å; L114-E117 PolarHBondContact O-N 3.45Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 2.99Å
115	F	95	Very high	93.7	Very high	108 Å²	108	65.4 Å²	65.4	47%	0.474	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.9	-175.3	-92.6	0	0	0	112	P111 E112 E117 L118 G119 L130	P111-F115 PolarHBondContact O-N 3.29Å; E112-F115 PolarHBondContact O-N 2.91Å; F115-E117 VanDerWaalsContact C-N 3.31Å; F115-E117 PolarHBondContact O-N 3.26Å; F115-L118 WeakPolarHBondContact O-CB 3.26Å; F115-L118 PolarHBondContact O-N 2.7Å; F115-G119 PolarHBondContact O-N 2.94Å; F115-L130 HydrophobicContact CD2-CD2 4.23Å; F115-L130 HydrophobicContact CE2-CD2 3.51Å; F115-L130 HydrophobicContact CZ-CD2 4.32Å
116	S	94.9	Very high	93.5	Very high	57 Å²	57	66.7 Å²	66.7	40%	0.399	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-39	177.2	-65	0	0	0	0	112.1	E112 P113 G119 R120	E112-S116 VanDerWaalsContact O-CB 3.28Å; E112-S116 WeakPolarHBondContact O-CB 3.37Å; E112-S116 PolarHBondContact O-N 2.93Å; E112-S116 PolarHBondContact O-OG 3.19Å; P113-S116 PolarHBondContact O-N 2.81Å; S116-G119 PolarHBondContact O-N 3.12Å; S116-R120 WeakPolarHBondContact O-CG 3.43Å; S116-R120 PolarHBondContact O-N 2.84Å
117	E	94.4	Very high	93.4	Very high	69 Å²	69	68.3 Å²	68.3	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-44.9	174.6	-173.5	177.5	-176.4	0	0	112	Q85 I88 P113 L114 F115 G119 R120 S121	Q85-E117 PolarHBondContact NE2-OE1 3.01Å; Q85-E117 PolarHBondContact NE2-OE2 3.02Å; I88-E117 HydrophobicContact CD1-CG 4Å; P113-E117 PolarHBondContact O-N 2.94Å; L114-E117 PolarHBondContact O-N 3.45Å; F115-E117 VanDerWaalsContact C-N 3.31Å; F115-E117 PolarHBondContact O-N 3.26Å; E117-G119 VanDerWaalsContact C-N 3.26Å; E117-G119 PolarHBondContact O-N 3.41Å; E117-R120 PolarHBondContact O-N 3.01Å; E117-R120 VanDerWaalsContact O-N 3.11Å; E117-S121 PolarHBondContact O-N 2.98Å
118	L	93.6	Very high	93.5	Very high	7 Å²	7	72.7 Å²	72.7	4%	0.037	38%	0.375	C	S	.	.	H	α-helix	trans	-55	-44.4	175.5	-167.1	74.3	0	0	0	111	V84 L87 I88 L114 F115 R120 S121 L123 L130	V84-L118 HydrophobicContact CG1-CD1 4.42Å; L87-L118 HydrophobicContact CD2-CD1 4.05Å; I88-L118 HydrophobicContact CD1-CD1 4.45Å; I88-L118 HydrophobicContact CG1-CD1 4.02Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 2.99Å; F115-L118 WeakPolarHBondContact O-CB 3.26Å; F115-L118 PolarHBondContact O-N 2.7Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.23Å; L118-S121 WeakPolarHBondContact O-CB 3.34Å; L118-S121 PolarHBondContact O-N 2.87Å; L118-S121 PolarHBondContact O-OG 2.7Å; L118-L123 HydrophobicContact CD1-CD2 3.46Å; L118-L123 VanDerWaalsContact CD1-CD2 3.46Å; L118-L123 HydrophobicContact CD1-CG 4.42Å; L118-L123 HydrophobicContact CG-CD2 4.47Å; L118-L130 HydrophobicContact CD2-CD1 4.14Å; L118-L130 HydrophobicContact CD2-CD2 4.08Å
119	G	92.8	Very high	93.7	Very high	52 Å²	52	73 Å²	73	54%	0.536	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-27.8	178.9	0	0	0	0	0	114.8	F115 S116 E117 S121	F115-G119 PolarHBondContact O-N 2.94Å; S116-G119 PolarHBondContact O-N 3.12Å; E117-G119 VanDerWaalsContact C-N 3.26Å; E117-G119 PolarHBondContact O-N 3.41Å; G119-S121 VanDerWaalsContact C-N 3.35Å
120	R	93.6	Very high	94	Very high	220 Å²	220	72.8 Å²	72.8	83%	0.83	37%	0.374	S	S	*	.	H	α-helix	trans	-83	-13.7	176.3	-69	173.9	-175.2	170	3.5	113.2	S116 E117 L118	S116-R120 WeakPolarHBondContact O-CG 3.43Å; S116-R120 PolarHBondContact O-N 2.84Å; E117-R120 PolarHBondContact O-N 3.01Å; E117-R120 VanDerWaalsContact O-N 3.11Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.23Å
121	S	93	Very high	94.2	Very high	21 Å²	21	77.5 Å²	77.5	15%	0.147	39%	0.393	C	S	.	.	S	Bend	trans	-80.4	163.9	-175.3	79.2	0	0	0	0	113.1	E117 L118 G119 L123 A124	E117-S121 PolarHBondContact O-N 2.98Å; L118-S121 WeakPolarHBondContact O-CB 3.34Å; L118-S121 PolarHBondContact O-N 2.87Å; L118-S121 PolarHBondContact O-OG 2.7Å; G119-S121 VanDerWaalsContact C-N 3.35Å; S121-L123 PolarHBondContact O-N 2.96Å; S121-L123 WeakPolarHBondContact OG-CB 3.43Å; S121-L123 PolarHBondContact OG-N 3.46Å; S121-A124 PolarHBondContact O-N 3.37Å
122	R	91	Very high	94.2	Very high	140 Å²	140	78.1 Å²	78.1	53%	0.528	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-65.3	-25.6	174.5	-69.8	-174.7	178.5	-172.4	-0.5	113	T94 A124 K125	T94-R122 VanDerWaalsContact CG2-NH1 3.32Å; R122-A124 PolarHBondContact O-N 3.5Å; R122-K125 PolarHBondContact O-N 2.86Å
123	L	92.6	Very high	94.2	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.005	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35	177.2	163	63.5	0	0	0	111.5	L87 I88 F91 A102 L118 S121 K125 V126 V127	L87-L123 HydrophobicContact CD1-CD1 4.42Å; L87-L123 HydrophobicContact CD1-CD2 3.73Å; L87-L123 HydrophobicContact CD2-CD2 3.91Å; L87-L123 HydrophobicContact CG-CD2 3.45Å; L87-L123 VanDerWaalsContact CG-CD2 3.45Å; I88-L123 HydrophobicContact CG1-CD2 4.46Å; F91-L123 HydrophobicContact CB-CB 4.04Å; F91-L123 HydrophobicContact CD1-CD1 4.47Å; F91-L123 HydrophobicContact CD2-CB 4.27Å; F91-L123 HydrophobicContact CD2-CD1 3.54Å; F91-L123 HydrophobicContact CD2-CD2 4.46Å; F91-L123 HydrophobicContact CD2-CG 4.31Å; F91-L123 HydrophobicContact CE2-CD1 3.67Å; F91-L123 HydrophobicContact CG-CB 4.3Å; F91-L123 HydrophobicContact CG-CD1 3.96Å; F91-L123 HydrophobicContact CZ-CD1 4.21Å; A102-L123 HydrophobicContact CB-CD1 3.74Å; L118-L123 HydrophobicContact CD1-CD2 3.46Å; L118-L123 VanDerWaalsContact CD1-CD2 3.46Å; L118-L123 HydrophobicContact CD1-CG 4.42Å; L118-L123 HydrophobicContact CG-CD2 4.47Å; S121-L123 PolarHBondContact O-N 2.96Å; S121-L123 WeakPolarHBondContact OG-CB 3.43Å; S121-L123 PolarHBondContact OG-N 3.46Å; L123-K125 PolarHBondContact O-N 3.31Å; L123-V126 HydrophobicContact CD1-CG2 3.98Å; L123-V126 VanDerWaalsContact O-CG2 3.28Å; L123-V126 WeakPolarHBondContact O-CG2 3.25Å; L123-V126 PolarHBondContact O-N 3.31Å; L123-V127 HydrophobicContact CD1-CG2 3.44Å; L123-V127 VanDerWaalsContact CD1-CG2 3.44Å; L123-V127 HydrophobicContact CD2-CG2 4.41Å; L123-V127 HydrophobicContact CG-CG2 3.58Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 3.45Å; L123-V127 VanDerWaalsContact O-N 3.08Å
124	A	93	Very high	94.1	Very high	49 Å²	49	68.6 Å²	68.6	41%	0.405	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-53.5	-26.6	179.9	0	0	0	0	0	113.8	S121 R122 V126	S121-A124 PolarHBondContact O-N 3.37Å; R122-A124 PolarHBondContact O-N 3.5Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.36Å
125	K	91.8	Very high	94	Very high	188 Å²	188	67.7 Å²	67.7	82%	0.817	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-74.8	-19.3	177.7	-61.6	-176.2	-179.9	-177	0	114.2	R122 L123	R122-K125 PolarHBondContact O-N 2.86Å; L123-K125 PolarHBondContact O-N 3.31Å
126	V	94.2	Very high	94	Very high	27 Å²	27	63.1 Å²	63.1	16%	0.164	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-2.2	-174.1	-58.2	0	0	0	0	113.4	F91 F97 A101 A102 L123 A124 K128	F91-V126 HydrophobicContact CD1-CG2 3.49Å; F91-V126 VanDerWaalsContact CD1-CG2 3.49Å; F91-V126 HydrophobicContact CE1-CG2 3.68Å; F91-V126 HydrophobicContact CG-CG2 4.16Å; F91-V126 HydrophobicContact CZ-CG2 4.48Å; F97-V126 HydrophobicContact CD2-CG1 3.94Å; F97-V126 HydrophobicContact CE2-CG1 3.66Å; A101-V126 WeakPolarHBondContact CA-O 3.36Å; A101-V126 WeakPolarHBondContact CB-O 3.33Å; A102-V126 PolarHBondContact N-O 2.93Å; L123-V126 HydrophobicContact CD1-CG2 3.98Å; L123-V126 VanDerWaalsContact O-CG2 3.28Å; L123-V126 WeakPolarHBondContact O-CG2 3.25Å; L123-V126 PolarHBondContact O-N 3.31Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.36Å; V126-K128 PolarHBondContact O-N 3.49Å
127	V	96.4	Very high	94.1	Very high	38 Å²	38	60.4 Å²	60.4	23%	0.23	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.3	169.4	174.8	0	0	0	0	109	A102 V104 L123 T129 L130	A102-V127 HydrophobicContact CB-CG2 4.41Å; A102-V127 CarbonylContact O-C 3.18Å; A102-V127 WeakPolarHBondContact O-CA 3.34Å; V104-V127 HydrophobicContact CG2-CG2 4.4Å; L123-V127 HydrophobicContact CD1-CG2 3.44Å; L123-V127 VanDerWaalsContact CD1-CG2 3.44Å; L123-V127 HydrophobicContact CD2-CG2 4.41Å; L123-V127 HydrophobicContact CG-CG2 3.58Å; L123-V127 WeakPolarHBondContact O-CG2 3.37Å; L123-V127 PolarHBondContact O-N 3.45Å; L123-V127 VanDerWaalsContact O-N 3.08Å; V127-T129 WeakPolarHBondContact CG1-O 3.45Å; V127-L130 HydrophobicContact CG1-CB 4.12Å
128	K	96.8	Very high	94.2	Very high	101 Å²	101	58.2 Å²	58.2	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-26.7	175	-71.4	-174.6	179.9	-176.8	0	113.2	E72 A101 A102 V126	E72-K128 IonicContact OE1-NZ 3.06Å; E72-K128 PolarHBondContact OE1-NZ 3.14Å; E72-K128 IonicContact OE2-NZ 3.28Å; E72-K128 PolarHBondContact OE2-NZ 3.19Å; A101-K128 HydrophobicContact CB-CD 3.87Å; A101-K128 VanDerWaalsContact CB-CE 3.49Å; A101-K128 HydrophobicContact CB-CG 4.06Å; A102-K128 PolarHBondContact O-N 3.49Å; V126-K128 PolarHBondContact O-N 3.49Å
129	T	96.8	Very high	94.4	Very high	29 Å²	29	57.9 Å²	57.9	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	135.3	-178.3	-52.6	0	0	0	0	108	H103 V104 F105 V127 K131	H103-T129 PolarHBondContact ND1-OG1 2.91Å; V104-T129 PolarHBondContact N-O 3.39Å; F105-T129 HydrophobicContact CZ-CG2 4.11Å; V127-T129 WeakPolarHBondContact CG1-O 3.45Å; T129-K131 HydrophobicContact CG2-CD 4.05Å; T129-K131 HydrophobicContact CG2-CG 3.97Å
130	L	96.4	Very high	94.6	Very high	65 Å²	65	57.3 Å²	57.3	34%	0.34	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	110.9	172.8	-176.6	61.7	0	0	0	107.1	V104 F106 F115 L118 V127	V104-L130 HydrophobicContact CB-CD1 3.61Å; V104-L130 HydrophobicContact CG1-CD1 3.58Å; V104-L130 CarbonylContact O-C 3.56Å; V104-L130 VanDerWaalsContact O-CA 3.26Å; V104-L130 WeakPolarHBondContact O-CA 3.4Å; F106-L130 HydrophobicContact CD2-CD1 4.18Å; F106-L130 HydrophobicContact CE2-CD1 3.78Å; F115-L130 HydrophobicContact CD2-CD2 4.23Å; F115-L130 HydrophobicContact CE2-CD2 3.51Å; F115-L130 HydrophobicContact CZ-CD2 4.32Å; L118-L130 HydrophobicContact CD2-CD1 4.14Å; L118-L130 HydrophobicContact CD2-CD2 4.08Å; V127-L130 HydrophobicContact CG1-CB 4.12Å
131	K	95.3	Very high	94.8	Very high	109 Å²	109	47 Å²	47	47%	0.474	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.2	-176.9	-70.1	-177	179.5	-179.9	0	111	V104 F105 F106 T129	V104-K131 PolarHBondContact O-N 3.15Å; F105-K131 CarbonylContact C-O 3.51Å; F105-K131 VanDerWaalsContact CA-O 3.3Å; F105-K131 WeakPolarHBondContact CA-O 3.25Å; F105-K131 HydrophobicContact CD1-CB 3.96Å; F105-K131 HydrophobicContact CE1-CB 4.16Å; F105-K131 HydrophobicContact CE1-CD 3.99Å; F106-K131 PolarHBondContact N-O 2.97Å; T129-K131 HydrophobicContact CG2-CD 4.05Å; T129-K131 HydrophobicContact CG2-CG 3.97Å
132	E	93.5	Very high	94.9	Very high	74 Å²	74	47.1 Å²	47.1	35%	0.346	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.1	170.1	-55.6	-177.5	165.9	0	0	107.8	T109 C110 H134	T109-E132 VanDerWaalsContact CA-CD 3.49Å; T109-E132 WeakPolarHBondContact CA-OE1 3.27Å; T109-E132 WeakPolarHBondContact CA-OE2 3.33Å; T109-E132 PolarHBondContact OG1-OE2 3.45Å; C110-E132 PolarHBondContact N-OE1 3.23Å; E132-H134 IonicContact OE2-CE1 2.9Å; E132-H134 IonicContact OE2-NE2 2.7Å; E132-H134 PolarHBondContact OE2-NE2 3.33Å; E132-H134 VanDerWaalsContact OE2-NE2 3.15Å
133	I	93	Very high	95.2	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.097	21%	0.21	C	C	.	.			trans	-96.4	-23.6	-178.7	-57.3	159.6	0	0	0	111.1	K13 V18 L76 F105 F106 L135	K13-I133 HydrophobicContact CD-CG2 4.19Å; K13-I133 WeakPolarHBondContact CE-O 3.46Å; K13-I133 HydrophobicContact CG-CG2 4.17Å; K13-I133 PolarHBondContact NZ-O 3.4Å; V18-I133 HydrophobicContact CG2-CD1 3.21Å; V18-I133 HydrophobicContact CG2-CG1 3.98Å; L76-I133 HydrophobicContact CD1-CD1 3.31Å; F105-I133 HydrophobicContact CB-CD1 3.78Å; F105-I133 HydrophobicContact CB-CG1 4.3Å; F105-I133 HydrophobicContact CD1-CD1 4.2Å; F105-I133 HydrophobicContact CD1-CG1 4.13Å; F105-I133 HydrophobicContact CG-CD1 4.38Å; F106-I133 PolarHBondContact O-N 3.13Å; I133-L135 HydrophobicContact CG2-CB 3.93Å
134	H	93	Very high	95.5	Very high	43 Å²	43	41.4 Å²	41.4	20%	0.199	21%	0.209	C	C	.	.			trans	51.3	64	-172.3	-53	107.4	0	0	0	111.1	K13 T107 D108 T109 E132 T178 T182 F212	K13-H134 PolarHBondContact NZ-O 2.98Å; T107-H134 CarbonylContact O-C 3.48Å; T107-H134 VanDerWaalsContact O-CA 3.27Å; T107-H134 WeakPolarHBondContact O-CA 3.34Å; T107-H134 PolarHBondContact O-N 3.26Å; D108-H134 IonicContact OD1-CD2 3.55Å; T109-H134 PolarHBondContact OG1-NE2 3.47Å; E132-H134 IonicContact OE2-CE1 2.9Å; E132-H134 IonicContact OE2-NE2 2.7Å; E132-H134 PolarHBondContact OE2-NE2 3.33Å; E132-H134 VanDerWaalsContact OE2-NE2 3.15Å; H134-T178 HydrophobicContact CB-CG2 4.26Å; H134-T182 PolarHBondContact O-OG1 2.97Å; H134-F212 HydrophobicContact CB-CE1 3.87Å; H134-F212 HydrophobicContact CB-CZ 4.01Å; H134-F212 AromaticContact CD2-CE1 3.81Å; H134-F212 AromaticContact CD2-CZ 3.82Å; H134-F212 AromaticContact CG-CE1 3.61Å; H134-F212 AromaticContact CG-CZ 3.93Å; H134-F212 AromaticContact ND1-CE1 3.99Å
135	L	93.8	Very high	95.8	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	19%	0.19	C	C	.	.			trans	-140.5	89.6	178.1	176.5	69.6	0	0	0	108.4	V10 I14 I40 T107 I133 F137 T182	V10-L135 HydrophobicContact CB-CD1 4.42Å; V10-L135 HydrophobicContact CG1-CD1 3.86Å; V10-L135 HydrophobicContact CG1-CD2 3.66Å; V10-L135 HydrophobicContact CG1-CG 4.3Å; V10-L135 HydrophobicContact CG2-CD1 3.83Å; I14-L135 HydrophobicContact CD1-CD2 3.77Å; I14-L135 HydrophobicContact CG1-CD2 3.64Å; I40-L135 HydrophobicContact CG2-CD2 3.95Å; I40-L135 HydrophobicContact CG2-CG 4.31Å; T107-L135 WeakPolarHBondContact CB-O 3.39Å; T107-L135 CarbonylContact O-C 3.57Å; T107-L135 PolarHBondContact O-N 3.18Å; I133-L135 HydrophobicContact CG2-CB 3.93Å; L135-F137 HydrophobicContact CD1-CD1 4.08Å; L135-F137 HydrophobicContact CD1-CE1 3.55Å; L135-F137 HydrophobicContact CD1-CZ 3.93Å; L135-T182 HydrophobicContact CD1-CG2 4.4Å
136	A	94.6	Very high	96.1	Very high	11 Å²	11	30.6 Å²	30.6	9%	0.091	16%	0.155	C	C	.	.			trans	-122.2	39.5	-174.8	0	0	0	0	0	112.4	D108 Q175 T178	D108-A136 HydrophobicContact CB-CB 4.4Å; A136-Q175 HydrophobicContact CB-CB 4.42Å; A136-Q175 HydrophobicContact CB-CG 3.93Å; A136-Q175 WeakPolarHBondContact O-CG 3.27Å; A136-Q175 PolarHBondContact O-NE2 3.4Å; A136-T178 HydrophobicContact CB-CG2 4.21Å; A136-T178 PolarHBondContact N-OG1 3.48Å
137	F	97.1	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-144.4	157.7	175.6	71.9	-87.2	0	0	0	111.1	L6 V10 L135 F145 L147 L179 T182	L6-F137 HydrophobicContact CD2-CE2 4.43Å; V10-F137 HydrophobicContact CG2-CE2 3.78Å; V10-F137 HydrophobicContact CG2-CZ 3.59Å; L135-F137 HydrophobicContact CD1-CD1 4.08Å; L135-F137 HydrophobicContact CD1-CE1 3.55Å; L135-F137 HydrophobicContact CD1-CZ 3.93Å; F137-F145 HydrophobicContact CD2-CB 3.96Å; F137-L147 HydrophobicContact CB-CD2 3.86Å; F137-L179 HydrophobicContact CD1-CB 3.87Å; F137-L179 HydrophobicContact CD1-CD1 4.14Å; F137-L179 HydrophobicContact CD2-CD1 4Å; F137-L179 HydrophobicContact CE1-CB 3.96Å; F137-L179 HydrophobicContact CE1-CD1 3.72Å; F137-L179 HydrophobicContact CE1-CG 4.48Å; F137-L179 HydrophobicContact CE2-CD1 3.56Å; F137-L179 HydrophobicContact CG-CB 4.37Å; F137-L179 HydrophobicContact CG-CD1 4.28Å; F137-L179 HydrophobicContact CZ-CD1 3.41Å; F137-L179 VanDerWaalsContact CZ-CD1 3.41Å; F137-T182 HydrophobicContact CE1-CG2 4.25Å; F137-T182 HydrophobicContact CZ-CG2 4.18Å
138	L	96.9	Very high	96.2	Very high	24 Å²	24	29.2 Å²	29.2	13%	0.126	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.6	177	-76.4	68.5	0	0	0	110.1	R39 I40 Y140 F145 S146 D148	R39-L138 HydrophobicContact CB-CD2 4.06Å; I40-L138 HydrophobicContact CG1-CD1 3.81Å; I40-L138 HydrophobicContact CG1-CG 4.11Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.13Å; L138-F145 VanDerWaalsContact O-CA 3.32Å; L138-F145 WeakPolarHBondContact O-CA 3.28Å; L138-S146 PolarHBondContact N-O 3.27Å; L138-S146 PolarHBondContact O-N 2.91Å; L138-D148 HydrophobicContact CD1-CB 3.29Å; L138-D148 HydrophobicContact CD2-CB 3.95Å; L138-D148 HydrophobicContact CG-CB 4.22Å
139	P	96.8	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	75.4	172.2	34.6	-36.2	0	0	0	110.8	L6 K7 V10 S43 C44 E141	L6-P139 HydrophobicContact CB-CB 3.77Å; K7-P139 WeakPolarHBondContact CE-O 3.45Å; K7-P139 HydrophobicContact CG-CB 3.97Å; K7-P139 HydrophobicContact CG-CG 4.19Å; K7-P139 WeakPolarHBondContact CG-O 3.39Å; V10-P139 HydrophobicContact CB-CB 4.38Å; V10-P139 HydrophobicContact CB-CG 3.93Å; V10-P139 HydrophobicContact CG1-CG 4.05Å; V10-P139 HydrophobicContact CG2-CB 4.04Å; V10-P139 HydrophobicContact CG2-CG 4.02Å; S43-P139 PolarHBondContact OG-O 3.33Å; C44-P139 HydrophobicContact CB-CG 4.14Å; P139-E141 PolarHBondContact O-N 3.36Å
140	Y	97.1	Very high	96	Very high	39 Å²	39	25.3 Å²	25.3	15%	0.153	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-47.5	-173.3	-172.6	-110.7	0	0	0	112.8	K7 L138 V144 D262 M547 I570	K7-Y140 WeakPolarHBondContact CE-O 3.45Å; K7-Y140 PolarHBondContact NZ-O 3.33Å; K7-Y140 VanDerWaalsContact NZ-O 3.11Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.13Å; Y140-V144 HydrophobicContact CD1-CG1 4.16Å; Y140-V144 PolarHBondContact N-O 3.1Å; Y140-D262 WeakPolarHBondContact CE2-OD2 3.34Å; Y140-D262 PolarHBondContact OH-OD1 3.32Å; Y140-M547 HydrophobicContact CD1-CE 3.99Å; Y140-M547 HydrophobicContact CE1-CE 3.78Å; Y140-I570 HydrophobicContact CD1-CD1 4.19Å; Y140-I570 HydrophobicContact CD1-CG1 3.99Å; Y140-I570 HydrophobicContact CE1-CG1 4.02Å; Y140-I570 HydrophobicContact CG-CG1 4.28Å
141	E	97.5	Very high	96	Very high	4 Å²	4	24 Å²	24	2%	0.019	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	176.2	171.7	-55	-173.9	134	0	0	110.3	P139 Q143 V144 Q250 R292 M547 Y551	P139-E141 PolarHBondContact O-N 3.36Å; E141-Q143 PolarHBondContact O-N 3.45Å; E141-Q143 VanDerWaalsContact O-N 3.08Å; E141-V144 HydrophobicContact CB-CB 3.89Å; E141-V144 HydrophobicContact CB-CG2 4.11Å; E141-V144 HydrophobicContact CG-CB 4.18Å; E141-V144 HydrophobicContact CG-CG2 4.37Å; E141-V144 PolarHBondContact N-O 2.82Å; E141-V144 PolarHBondContact O-N 3.29Å; E141-V144 VanDerWaalsContact O-O 3.12Å; E141-V144 VanDerWaalsContact OE2-CG2 3.27Å; E141-V144 WeakPolarHBondContact OE2-CG2 3.4Å; E141-Q250 PolarHBondContact OE1-NE2 2.88Å; E141-R292 WeakPolarHBondContact OE1-CD 3.38Å; E141-R292 IonicContact OE1-CZ 3.72Å; E141-R292 IonicContact OE1-NE 2.7Å; E141-R292 IonicContact OE1-NH1 3.05Å; E141-R292 PolarHBondContact OE1-NH1 3.45Å; E141-R292 IonicContact OE2-CZ 3.63Å; E141-R292 IonicContact OE2-NH1 2.98Å; E141-M547 HydrophobicContact CG-CE 4.39Å; E141-M547 WeakPolarHBondContact OE2-CE 3.3Å; E141-Y551 WeakPolarHBondContact CB-OH 3.48Å; E141-Y551 WeakPolarHBondContact OE2-CE2 3.5Å
142	A	95.8	Very high	96.1	Very high	23 Å²	23	18.8 Å²	18.8	19%	0.19	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.8	178.4	0	0	0	0	0	113.5	G5 L6 E283 Y551	G5-A142 WeakPolarHBondContact CA-O 3.25Å; L6-A142 WeakPolarHBondContact CG-O 3.43Å; L6-A142 PolarHBondContact N-O 2.89Å; A142-E283 VanDerWaalsContact N-CD 3.26Å; A142-E283 PolarHBondContact N-OE1 3.39Å; A142-E283 PolarHBondContact N-OE2 3.15Å; A142-Y551 PolarHBondContact N-OH 3.34Å
143	Q	97.2	Very high	96.2	Very high	22 Å²	22	15.4 Å²	15.4	10%	0.103	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	7.1	-179.1	-58.5	-172.3	-115.2	0	0	113.4	E141 Y551 T554 V563 L564 I565	E141-Q143 PolarHBondContact O-N 3.45Å; E141-Q143 VanDerWaalsContact O-N 3.08Å; Q143-Y551 HydrophobicContact CB-CE1 3.92Å; Q143-Y551 HydrophobicContact CB-CE2 4.1Å; Q143-Y551 HydrophobicContact CG-CD1 4.28Å; Q143-Y551 HydrophobicContact CG-CE1 3.72Å; Q143-Y551 PolarHBondContact N-OH 3.43Å; Q143-Y551 VanDerWaalsContact OE1-CE1 3.22Å; Q143-T554 PolarHBondContact NE2-OG1 3.32Å; Q143-V563 PolarHBondContact NE2-O 3.24Å; Q143-L564 HydrophobicContact CB-CD2 4.04Å; Q143-L564 HydrophobicContact CG-CD2 4.32Å; Q143-L564 WeakPolarHBondContact O-CA 3.13Å; Q143-I565 PolarHBondContact O-N 3.31Å
144	V	98.6	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.9	-177.5	-175.2	0	0	0	0	110.9	Y140 E141 M547 Y551 I565 I570	Y140-V144 HydrophobicContact CD1-CG1 4.16Å; Y140-V144 PolarHBondContact N-O 3.1Å; E141-V144 HydrophobicContact CB-CB 3.89Å; E141-V144 HydrophobicContact CB-CG2 4.11Å; E141-V144 HydrophobicContact CG-CB 4.18Å; E141-V144 HydrophobicContact CG-CG2 4.37Å; E141-V144 PolarHBondContact N-O 2.82Å; E141-V144 PolarHBondContact O-N 3.29Å; E141-V144 VanDerWaalsContact O-O 3.12Å; E141-V144 VanDerWaalsContact OE2-CG2 3.27Å; E141-V144 WeakPolarHBondContact OE2-CG2 3.4Å; V144-M547 HydrophobicContact CB-CE 4.44Å; V144-M547 HydrophobicContact CG1-CE 4.1Å; V144-M547 HydrophobicContact CG1-CG 3.95Å; V144-M547 HydrophobicContact CG1-SD 4.22Å; V144-M547 HydrophobicContact CG2-CB 4Å; V144-M547 HydrophobicContact CG2-CE 4.07Å; V144-M547 HydrophobicContact CG2-CG 3.95Å; V144-Y551 HydrophobicContact CG2-CE2 3.98Å; V144-I565 VanDerWaalsContact CA-O 3.23Å; V144-I565 WeakPolarHBondContact CA-O 3.35Å; V144-I565 HydrophobicContact CG2-CG2 4.02Å; V144-I570 HydrophobicContact CG1-CD1 3.98Å
145	F	98.4	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.6	174.7	67.2	-85.9	0	0	0	112.1	L6 F137 L138 L147 L179 I535 Y537 I565 G566 S567	L6-F145 HydrophobicContact CD1-CB 4.05Å; F137-F145 HydrophobicContact CD2-CB 3.96Å; L138-F145 VanDerWaalsContact O-CA 3.32Å; L138-F145 WeakPolarHBondContact O-CA 3.28Å; F145-L147 HydrophobicContact CD2-CD2 4.11Å; F145-L147 HydrophobicContact CE2-CD2 4.25Å; F145-L179 HydrophobicContact CD1-CD2 3.69Å; F145-L179 HydrophobicContact CD2-CD2 3.81Å; F145-L179 HydrophobicContact CE1-CD2 3.55Å; F145-L179 HydrophobicContact CE2-CD2 3.67Å; F145-L179 HydrophobicContact CG-CD2 3.82Å; F145-L179 HydrophobicContact CZ-CD2 3.54Å; F145-I535 HydrophobicContact CE1-CG2 4.05Å; F145-I535 HydrophobicContact CZ-CG2 4.2Å; F145-Y537 AromaticContact CE2-CD2 3.88Å; F145-Y537 HydrophobicContact CE2-CD2 3.88Å; F145-Y537 HydrophobicContact CE2-CE2 4.48Å; F145-Y537 HydrophobicContact CZ-CD2 4.14Å; F145-I565 WeakPolarHBondContact CD1-O 3.46Å; F145-I565 VanDerWaalsContact CE1-C 3.44Å; F145-I565 PolarHBondContact N-O 3.14Å; F145-G566 VanDerWaalsContact CE1-N 3.31Å; F145-G566 WeakPolarHBondContact O-CA 3.45Å; F145-S567 PolarHBondContact O-N 3.5Å
146	S	98.4	Very high	96.7	Very high	10 Å²	10	12.8 Å²	12.8	7%	0.07	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.5	173	175.9	0	0	0	0	109.4	L138 D148 S567 S568	L138-S146 PolarHBondContact N-O 3.27Å; L138-S146 PolarHBondContact O-N 2.91Å; S146-D148 PolarHBondContact OG-N 3.04Å; S146-D148 VanDerWaalsContact OG-N 3.14Å; S146-S567 WeakPolarHBondContact CA-O 3.39Å; S146-S568 PolarHBondContact OG-O 2.88Å
147	L	97.4	Very high	96.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.021	7%	0.071	C	C	.	.			trans	-85.2	-1.9	172.5	-52	-173.7	0	0	0	112.6	F137 F145 A149 L172 Q175 I176 Y537 S567	F137-L147 HydrophobicContact CB-CD2 3.86Å; F145-L147 HydrophobicContact CD2-CD2 4.11Å; F145-L147 HydrophobicContact CE2-CD2 4.25Å; L147-A149 PolarHBondContact O-N 2.86Å; L147-L172 HydrophobicContact CD1-CB 4.33Å; L147-L172 HydrophobicContact CD1-CD2 3.74Å; L147-Q175 HydrophobicContact CD1-CB 4.13Å; L147-Q175 HydrophobicContact CD2-CB 3.92Å; L147-Q175 HydrophobicContact CG-CB 4.45Å; L147-Q175 PolarHBondContact O-NE2 3.42Å; L147-I176 HydrophobicContact CD1-CD1 4.43Å; L147-I176 HydrophobicContact CD1-CG1 3.9Å; L147-Y537 HydrophobicContact CD1-CD2 4.42Å; L147-Y537 HydrophobicContact CD1-CE2 3.44Å; L147-Y537 VanDerWaalsContact CD1-CE2 3.44Å; L147-Y537 HydrophobicContact CG-CE2 3.93Å; L147-S567 PolarHBondContact N-O 3.05Å
148	D	95.6	Very high	96.6	Very high	31 Å²	31	13.3 Å²	13.3	17%	0.166	7%	0.072	C	C	.	.			trans	53.3	41	176.9	-176.5	42.4	0	0	0	113.3	R39 L138 S146 P150 S568	R39-D148 VanDerWaalsContact CZ-CG 3.41Å; R39-D148 IonicContact CZ-OD1 2.88Å; R39-D148 VanDerWaalsContact CZ-OD1 3.28Å; R39-D148 IonicContact CZ-OD2 3.77Å; R39-D148 IonicContact NE-OD2 3.12Å; R39-D148 PolarHBondContact NE-OD2 3.09Å; R39-D148 VanDerWaalsContact NH1-CG 3.32Å; R39-D148 IonicContact NH1-OD1 2.83Å; R39-D148 PolarHBondContact NH1-OD1 2.84Å; R39-D148 IonicContact NH1-OD2 3.6Å; R39-D148 PolarHBondContact NH1-OD2 2.65Å; R39-D148 VanDerWaalsContact NH1-OD2 3.16Å; R39-D148 IonicContact NH2-OD1 2.79Å; R39-D148 IonicContact NH2-OD2 2.68Å; R39-D148 PolarHBondContact NH2-OD2 2.69Å; L138-D148 HydrophobicContact CD1-CB 3.29Å; L138-D148 HydrophobicContact CD2-CB 3.95Å; L138-D148 HydrophobicContact CG-CB 4.22Å; S146-D148 PolarHBondContact OG-N 3.04Å; S146-D148 VanDerWaalsContact OG-N 3.14Å; D148-P150 WeakPolarHBondContact O-CD 3.49Å; D148-S568 PolarHBondContact N-O 3.09Å; D148-S568 VanDerWaalsContact N-O 3.11Å
149	A	95.6	Very high	96.5	Very high	5 Å²	5	15.6 Å²	15.6	4%	0.041	9%	0.088	C	C	.	.			trans	-120.8	64.7	-179.7	0	0	0	0	0	110.4	L147 H151 S152 L172 S568	L147-A149 PolarHBondContact O-N 2.86Å; A149-H151 PolarHBondContact O-N 3.31Å; A149-S152 WeakPolarHBondContact O-CB 3.41Å; A149-S152 PolarHBondContact O-N 3.08Å; A149-L172 HydrophobicContact CB-CD2 4.34Å; A149-S568 PolarHBondContact N-O 2.87Å; A149-S568 WeakPolarHBondContact O-CB 3.47Å
150	P	94.8	Very high	96.4	Very high	44 Å²	44	21.3 Å²	21.3	29%	0.286	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.1	-178.8	27.5	-35.9	0	0	0	113.2	D148 S152 H569 R575	D148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-S152 PolarHBondContact O-N 3.43Å; P150-H569 HydrophobicContact CB-CB 4.24Å; P150-R575 VanDerWaalsContact CB-NH2 3.33Å
151	H	95.4	Very high	96.2	Very high	36 Å²	36	20.7 Å²	20.7	17%	0.167	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.3	172.3	53.7	80.8	0	0	0	113.7	A149 T153 Y154 N155 M590 A591	A149-H151 PolarHBondContact O-N 3.31Å; H151-T153 VanDerWaalsContact C-N 3.34Å; H151-T153 PolarHBondContact O-N 3.31Å; H151-Y154 PolarHBondContact O-N 2.98Å; H151-N155 PolarHBondContact ND1-ND2 3.19Å; H151-N155 PolarHBondContact O-N 2.84Å; H151-M590 HydrophobicContact CB-CE 3.92Å; H151-A591 HydrophobicContact CB-CB 4.33Å
152	S	96.8	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-38.3	-178.3	176.6	0	0	0	0	112.7	A149 P150 Y154 N155 L156	A149-S152 WeakPolarHBondContact O-CB 3.41Å; A149-S152 PolarHBondContact O-N 3.08Å; P150-S152 PolarHBondContact O-N 3.43Å; S152-Y154 VanDerWaalsContact C-N 3.34Å; S152-N155 PolarHBondContact O-N 3.37Å; S152-L156 WeakPolarHBondContact O-CB 3.43Å; S152-L156 WeakPolarHBondContact O-CG 3.44Å; S152-L156 PolarHBondContact O-N 3.39Å; S152-L156 WeakPolarHBondContact OG-CD1 3.22Å
153	T	96.6	Very high	95.8	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-49.2	178.5	-48.7	0	0	0	0	109.6	H151 N155 L156 Y157 L444 H569 D579 L583	H151-T153 VanDerWaalsContact C-N 3.34Å; H151-T153 PolarHBondContact O-N 3.31Å; T153-N155 PolarHBondContact O-N 3.18Å; T153-L156 PolarHBondContact O-N 2.78Å; T153-Y157 HydrophobicContact CG2-CD2 3.72Å; T153-Y157 HydrophobicContact CG2-CE2 4.18Å; T153-Y157 WeakPolarHBondContact O-CB 3.38Å; T153-Y157 WeakPolarHBondContact O-CD2 3.44Å; T153-Y157 PolarHBondContact O-N 3.03Å; T153-L444 HydrophobicContact CG2-CD2 4.2Å; T153-H569 PolarHBondContact OG1-CE1 3.43Å; T153-H569 VanDerWaalsContact OG1-CE1 3.29Å; T153-D579 WeakPolarHBondContact CB-OD2 3.39Å; T153-D579 HydrophobicContact CG2-CB 4.37Å; T153-D579 PolarHBondContact OG1-OD2 3.31Å; T153-L583 HydrophobicContact CG2-CD2 4.41Å
154	Y	97	Very high	95.6	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-46.4	177.2	-177.4	-93.5	0	0	0	112	H151 S152 L156 C158 R161 T582 Q585 L587 M590	H151-Y154 PolarHBondContact O-N 2.98Å; S152-Y154 VanDerWaalsContact C-N 3.34Å; Y154-L156 VanDerWaalsContact C-N 3.27Å; Y154-L156 PolarHBondContact O-N 3.13Å; Y154-C158 HydrophobicContact CD1-CB 4.36Å; Y154-C158 HydrophobicContact CD2-CB 3.81Å; Y154-C158 HydrophobicContact CE1-CB 4.38Å; Y154-C158 HydrophobicContact CE2-CB 3.81Å; Y154-C158 VanDerWaalsContact CE2-SG 3.52Å; Y154-C158 HydrophobicContact CG-CB 4.08Å; Y154-C158 WeakPolarHBondContact O-CA 3.11Å; Y154-C158 WeakPolarHBondContact O-CB 3.02Å; Y154-C158 PolarHBondContact O-N 2.97Å; Y154-R161 HydrophobicContact CD1-CG 3.79Å; Y154-R161 HydrophobicContact CE1-CG 3.41Å; Y154-R161 VanDerWaalsContact CE1-CG 3.41Å; Y154-T582 WeakPolarHBondContact CE2-O 3.49Å; Y154-Q585 WeakPolarHBondContact CE2-O 3.36Å; Y154-Q585 PolarHBondContact OH-O 3.47Å; Y154-L587 HydrophobicContact CE2-CB 4.29Å; Y154-L587 HydrophobicContact CE2-CD1 4.14Å; Y154-L587 HydrophobicContact CE2-CG 4.25Å; Y154-L587 PolarHBondContact OH-N 3.42Å; Y154-M590 HydrophobicContact CD1-CB 3.88Å; Y154-M590 HydrophobicContact CD1-CE 4.15Å; Y154-M590 HydrophobicContact CD1-CG 3.98Å; Y154-M590 HydrophobicContact CD2-CE 4.46Å; Y154-M590 HydrophobicContact CE1-CB 3.9Å; Y154-M590 HydrophobicContact CE1-CG 4.04Å; Y154-M590 HydrophobicContact CG-CE 3.81Å; Y154-M590 HydrophobicContact CG-CG 4.25Å
155	N	96.6	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-26.3	-179.4	-71.6	-21.1	0	0	0	114.1	H151 S152 T153 R161 Q168 A591 P593	H151-N155 PolarHBondContact ND1-ND2 3.19Å; H151-N155 PolarHBondContact O-N 2.84Å; S152-N155 PolarHBondContact O-N 3.37Å; T153-N155 PolarHBondContact O-N 3.18Å; N155-R161 PolarHBondContact OD1-NH1 3.16Å; N155-Q168 HydrophobicContact CB-CB 4.22Å; N155-Q168 HydrophobicContact CB-CG 3.95Å; N155-Q168 PolarHBondContact ND2-OE1 3.22Å; N155-A591 PolarHBondContact ND2-O 3.28Å; N155-A591 VanDerWaalsContact ND2-O 3.1Å; N155-P593 HydrophobicContact CB-CG 4.4Å
156	L	95.6	Very high	95.3	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-88.3	-40.8	179.3	-68.1	173.4	0	0	0	112.9	S152 T153 Y154 R165 Q168 L169 L172 V539	S152-L156 WeakPolarHBondContact O-CB 3.43Å; S152-L156 WeakPolarHBondContact O-CG 3.44Å; S152-L156 PolarHBondContact O-N 3.39Å; S152-L156 WeakPolarHBondContact OG-CD1 3.22Å; T153-L156 PolarHBondContact O-N 2.78Å; Y154-L156 VanDerWaalsContact C-N 3.27Å; Y154-L156 PolarHBondContact O-N 3.13Å; L156-R165 HydrophobicContact CD2-CG 3.92Å; L156-Q168 HydrophobicContact CD1-CG 4.49Å; L156-Q168 HydrophobicContact CD2-CB 3.9Å; L156-Q168 HydrophobicContact CD2-CG 3.83Å; L156-Q168 HydrophobicContact CG-CB 4.44Å; L156-Q168 HydrophobicContact CG-CG 3.88Å; L156-L169 HydrophobicContact CD1-CD2 4.41Å; L156-L169 HydrophobicContact CD2-CD2 3.59Å; L156-L169 HydrophobicContact CD2-CG 3.76Å; L156-L172 HydrophobicContact CD1-CD1 4.18Å; L156-V539 HydrophobicContact CD1-CG1 3.44Å; L156-V539 VanDerWaalsContact CD1-CG1 3.44Å
157	Y	94.8	Very high	95.2	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-110.8	-13.2	-167.2	-55.6	-70	0	0	0	114.2	T153 Q443 L444 V539	T153-Y157 HydrophobicContact CG2-CD2 3.72Å; T153-Y157 HydrophobicContact CG2-CE2 4.18Å; T153-Y157 WeakPolarHBondContact O-CB 3.38Å; T153-Y157 WeakPolarHBondContact O-CD2 3.44Å; T153-Y157 PolarHBondContact O-N 3.03Å; Y157-Q443 WeakPolarHBondContact CD1-O 3.46Å; Y157-L444 HydrophobicContact CD1-CD2 3.94Å; Y157-L444 HydrophobicContact CD2-CD2 3.29Å; Y157-L444 HydrophobicContact CE1-CD2 4.19Å; Y157-L444 HydrophobicContact CE2-CD2 3.59Å; Y157-L444 HydrophobicContact CG-CD2 3.49Å; Y157-L444 VanDerWaalsContact CG-CD2 3.49Å; Y157-V539 WeakPolarHBondContact OH-CG1 3.49Å
158	C	95.6	Very high	95.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.02	23%	0.233	C	C	.	.			trans	-78.7	126.7	175.9	-178.6	0	0	0	0	110.9	Y154 F160 R161 L583	Y154-C158 HydrophobicContact CD1-CB 4.36Å; Y154-C158 HydrophobicContact CD2-CB 3.81Å; Y154-C158 HydrophobicContact CE1-CB 4.38Å; Y154-C158 HydrophobicContact CE2-CB 3.81Å; Y154-C158 VanDerWaalsContact CE2-SG 3.52Å; Y154-C158 HydrophobicContact CG-CB 4.08Å; Y154-C158 WeakPolarHBondContact O-CA 3.11Å; Y154-C158 WeakPolarHBondContact O-CB 3.02Å; Y154-C158 PolarHBondContact O-N 2.97Å; C158-F160 PolarHBondContact O-N 3.15Å; C158-F160 VanDerWaalsContact O-N 3.15Å; C158-R161 PolarHBondContact O-N 2.94Å; C158-L583 PolarHBondContact SG-O 3.36Å
159	P	94.3	Very high	95.2	Very high	72 Å²	72	40.7 Å²	40.7	47%	0.468	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.7	-30.9	177.7	-25.9	35.1	0	0	0	113.8	R161 A162 L583	P159-R161 PolarHBondContact O-N 3.19Å; P159-A162 PolarHBondContact O-N 3.05Å; P159-L583 VanDerWaalsContact CD-O 3.26Å; P159-L583 WeakPolarHBondContact CD-O 3.35Å
160	F	94.9	Very high	95.3	Very high	120 Å²	120	44 Å²	44	53%	0.526	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-69.6	-11.1	177.4	-59.4	-68.4	0	0	0	113.7	C158 D584 K586	C158-F160 PolarHBondContact O-N 3.15Å; C158-F160 VanDerWaalsContact O-N 3.15Å; F160-D584 WeakPolarHBondContact CE2-O 3.2Å; F160-K586 HydrophobicContact CD1-CB 4.36Å; F160-K586 HydrophobicContact CD1-CG 4.43Å; F160-K586 HydrophobicContact CD2-CB 4.09Å; F160-K586 HydrophobicContact CE1-CB 4.47Å; F160-K586 HydrophobicContact CE2-CB 4.22Å; F160-K586 HydrophobicContact CG-CB 4.18Å; F160-K586 HydrophobicContact CG-CG 4.32Å; F160-K586 HydrophobicContact CZ-CB 4.41Å
161	R	93.6	Very high	95.3	Very high	27 Å²	27	43.1 Å²	43.1	10%	0.102	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-115.2	14.2	178.8	-69	-70.7	179.2	109.1	-4.7	113.3	Y154 N155 C158 P159 G163 E164 R165 L587 M590 A591	Y154-R161 HydrophobicContact CD1-CG 3.79Å; Y154-R161 HydrophobicContact CE1-CG 3.41Å; Y154-R161 VanDerWaalsContact CE1-CG 3.41Å; N155-R161 PolarHBondContact OD1-NH1 3.16Å; C158-R161 PolarHBondContact O-N 2.94Å; P159-R161 PolarHBondContact O-N 3.19Å; R161-G163 PolarHBondContact O-N 3.3Å; R161-E164 PolarHBondContact O-N 2.74Å; R161-R165 PolarHBondContact O-N 2.89Å; R161-L587 PolarHBondContact NH2-O 2.8Å; R161-M590 PolarHBondContact NH1-O 2.97Å; R161-M590 PolarHBondContact NH2-O 3.23Å; R161-A591 PolarHBondContact NH1-O 2.98Å; R161-A591 VanDerWaalsContact NH1-O 3.13Å
162	A	91.8	Very high	95.4	Very high	68 Å²	68	41.4 Å²	41.4	56%	0.562	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-52.4	-34.6	-178.5	0	0	0	0	0	114	P159 E164	P159-A162 PolarHBondContact O-N 3.05Å; A162-E164 VanDerWaalsContact C-N 3.32Å; A162-E164 PolarHBondContact O-N 3.29Å
163	G	93.1	Very high	95.5	Very high	73 Å²	73	41.4 Å²	41.4	75%	0.753	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.9	-22.7	176.2	0	0	0	0	0	115	R161	R161-G163 PolarHBondContact O-N 3.3Å
164	E	93.8	Very high	95.5	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-93.9	-10.6	-178.5	-59.9	-56.5	147.4	0	0	112.8	R161 A162 T166 R167 Q168 L592 P593	R161-E164 PolarHBondContact O-N 2.74Å; A162-E164 VanDerWaalsContact C-N 3.32Å; A162-E164 PolarHBondContact O-N 3.29Å; E164-T166 PolarHBondContact O-N 2.87Å; E164-R167 WeakPolarHBondContact O-CB 3.03Å; E164-R167 PolarHBondContact O-N 3.46Å; E164-R167 VanDerWaalsContact O-N 3.12Å; E164-Q168 PolarHBondContact O-N 2.85Å; E164-L592 HydrophobicContact CG-CD2 4.21Å; E164-P593 HydrophobicContact CB-CG 3.98Å
165	R	93.9	Very high	95.5	Very high	83 Å²	83	44.3 Å²	44.3	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-54.2	-50.7	-175.7	-172.8	-175.5	-169	-171.5	12.5	112.8	L156 R161 R167 Q168 L169 D197	L156-R165 HydrophobicContact CD2-CG 3.92Å; R161-R165 PolarHBondContact O-N 2.89Å; R165-R167 VanDerWaalsContact C-N 3.31Å; R165-R167 PolarHBondContact O-N 3.08Å; R165-Q168 WeakPolarHBondContact O-CB 3.24Å; R165-Q168 PolarHBondContact O-N 2.94Å; R165-L169 WeakPolarHBondContact O-CG 3.45Å; R165-L169 PolarHBondContact O-N 2.94Å; R165-D197 IonicContact CZ-OD1 3.82Å; R165-D197 IonicContact CZ-OD2 3.35Å; R165-D197 VanDerWaalsContact NE-CG 3.26Å; R165-D197 IonicContact NE-OD1 3.68Å; R165-D197 PolarHBondContact NE-OD1 3.09Å; R165-D197 IonicContact NE-OD2 3.56Å; R165-D197 PolarHBondContact NE-OD2 2.73Å; R165-D197 IonicContact NH1-OD1 3.3Å; R165-D197 IonicContact NH2-OD1 3.08Å; R165-D197 PolarHBondContact NH2-OD1 2.91Å; R165-D197 IonicContact NH2-OD2 3.03Å; R165-D197 PolarHBondContact NH2-OD2 2.94Å
166	T	95.8	Very high	95.6	Very high	85 Å²	85	44.3 Å²	44.3	52%	0.521	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-39.9	179.1	-61.2	0	0	0	0	112	E164 L169 D170	E164-T166 PolarHBondContact O-N 2.87Å; T166-L169 PolarHBondContact O-N 2.77Å; T166-D170 PolarHBondContact O-N 3.01Å
167	R	95.8	Very high	95.7	Very high	142 Å²	142	43.9 Å²	43.9	54%	0.536	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-40	177.2	-174.1	-174	163.8	160.4	-1.8	111.1	E164 R165 D170 A171 P593	E164-R167 WeakPolarHBondContact O-CB 3.03Å; E164-R167 PolarHBondContact O-N 3.46Å; E164-R167 VanDerWaalsContact O-N 3.12Å; R165-R167 VanDerWaalsContact C-N 3.31Å; R165-R167 PolarHBondContact O-N 3.08Å; R167-D170 PolarHBondContact O-N 3.24Å; R167-A171 WeakPolarHBondContact O-CB 3.22Å; R167-A171 PolarHBondContact O-N 3.42Å; R167-P593 HydrophobicContact CB-CB 4.45Å; R167-P593 HydrophobicContact CG-CB 4.08Å; R167-P593 PolarHBondContact NE-O 3.5Å; R167-P593 PolarHBondContact NH2-O 2.66Å
168	Q	96.9	Very high	95.7	Very high	2 Å²	2	43 Å²	43	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-43.3	173.9	-171.2	64	76.1	0	0	112	N155 L156 E164 R165 A171 L172 P593	N155-Q168 HydrophobicContact CB-CB 4.22Å; N155-Q168 HydrophobicContact CB-CG 3.95Å; N155-Q168 PolarHBondContact ND2-OE1 3.22Å; L156-Q168 HydrophobicContact CD1-CG 4.49Å; L156-Q168 HydrophobicContact CD2-CB 3.9Å; L156-Q168 HydrophobicContact CD2-CG 3.83Å; L156-Q168 HydrophobicContact CG-CB 4.44Å; L156-Q168 HydrophobicContact CG-CG 3.88Å; E164-Q168 PolarHBondContact O-N 2.85Å; R165-Q168 WeakPolarHBondContact O-CB 3.24Å; R165-Q168 PolarHBondContact O-N 2.94Å; Q168-A171 PolarHBondContact O-N 3.12Å; Q168-L172 HydrophobicContact CG-CD1 4.32Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 2.78Å; Q168-P593 HydrophobicContact CB-CB 3.97Å; Q168-P593 HydrophobicContact CB-CG 3.83Å
169	L	97.3	Very high	95.8	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-40.9	176	-66.1	176.2	0	0	0	112.3	L156 R165 T166 L172 A173 D197 Q200 L201	L156-L169 HydrophobicContact CD1-CD2 4.41Å; L156-L169 HydrophobicContact CD2-CD2 3.59Å; L156-L169 HydrophobicContact CD2-CG 3.76Å; R165-L169 WeakPolarHBondContact O-CG 3.45Å; R165-L169 PolarHBondContact O-N 2.94Å; T166-L169 PolarHBondContact O-N 2.77Å; L169-L172 PolarHBondContact O-N 2.84Å; L169-A173 VanDerWaalsContact O-CB 3.27Å; L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 3.28Å; L169-D197 HydrophobicContact CD1-CB 4.41Å; L169-Q200 HydrophobicContact CD1-CB 4.13Å; L169-Q200 HydrophobicContact CD1-CG 3.95Å; L169-L201 HydrophobicContact CD2-CB 4.23Å; L169-L201 HydrophobicContact CD2-CD1 4.39Å; L169-L201 WeakPolarHBondContact O-CD1 3.48Å
170	D	96.7	Very high	95.9	Very high	74 Å²	74	39.4 Å²	39.4	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-40.5	176.9	-166.9	66.7	0	0	0	112.3	T166 R167 A173 Q174 K208	T166-D170 PolarHBondContact O-N 3.01Å; R167-D170 PolarHBondContact O-N 3.24Å; D170-A173 WeakPolarHBondContact O-CB 3.34Å; D170-A173 PolarHBondContact O-N 3.08Å; D170-Q174 PolarHBondContact O-N 2.76Å; D170-K208 VanDerWaalsContact CG-NZ 3.3Å; D170-K208 WeakPolarHBondContact OD1-CE 3.43Å; D170-K208 IonicContact OD1-NZ 3.44Å; D170-K208 PolarHBondContact OD1-NZ 2.99Å; D170-K208 IonicContact OD2-NZ 3.63Å; D170-K208 PolarHBondContact OD2-NZ 2.87Å
171	A	95.3	Very high	95.9	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-48.4	175.3	0	0	0	0	0	111.5	R167 Q168 A173 Q174 Q175	R167-A171 WeakPolarHBondContact O-CB 3.22Å; R167-A171 PolarHBondContact O-N 3.42Å; Q168-A171 PolarHBondContact O-N 3.12Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 3.02Å; A171-Q174 PolarHBondContact O-N 2.77Å; A171-Q175 WeakPolarHBondContact O-CG 3.28Å; A171-Q175 PolarHBondContact O-N 3Å; A171-Q175 VanDerWaalsContact O-N 3.11Å
172	L	97.7	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-40.5	176	-62.3	170.4	0	0	0	111.2	L147 A149 L156 Q168 L169 Q174 Q175 I176 L201	L147-L172 HydrophobicContact CD1-CB 4.33Å; L147-L172 HydrophobicContact CD1-CD2 3.74Å; A149-L172 HydrophobicContact CB-CD2 4.34Å; L156-L172 HydrophobicContact CD1-CD1 4.18Å; Q168-L172 HydrophobicContact CG-CD1 4.32Å; Q168-L172 WeakPolarHBondContact O-CG 3.4Å; Q168-L172 PolarHBondContact O-N 2.78Å; L169-L172 PolarHBondContact O-N 2.84Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 2.95Å; L172-Q175 PolarHBondContact O-N 3.26Å; L172-I176 WeakPolarHBondContact O-CB 3.28Å; L172-I176 WeakPolarHBondContact O-CD1 3.36Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.94Å; L172-L201 HydrophobicContact CB-CD1 4.11Å
173	A	98.2	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43	178.6	0	0	0	0	0	112.2	L169 D170 A171 A177 L201 A204 V205 K208	L169-A173 VanDerWaalsContact O-CB 3.27Å; L169-A173 WeakPolarHBondContact O-CB 3.43Å; L169-A173 PolarHBondContact O-N 3.28Å; D170-A173 WeakPolarHBondContact O-CB 3.34Å; D170-A173 PolarHBondContact O-N 3.08Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 3.02Å; A173-A177 WeakPolarHBondContact O-CB 3.06Å; A173-A177 PolarHBondContact O-N 2.99Å; A173-L201 HydrophobicContact CB-CD1 4Å; A173-A204 HydrophobicContact CB-CB 3.54Å; A173-V205 HydrophobicContact CB-CG2 3.85Å; A173-K208 HydrophobicContact CB-CG 4.45Å
174	Q	96.4	Very high	96.1	Very high	32 Å²	32	31.4 Å²	31.4	15%	0.15	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-50.3	174.9	-179	64.8	20.1	0	0	110.8	D108 D170 A171 L172 I176 A177 T178 K208	D108-Q174 PolarHBondContact OD1-NE2 2.81Å; D108-Q174 WeakPolarHBondContact OD2-CG 3.44Å; D170-Q174 PolarHBondContact O-N 2.76Å; A171-Q174 PolarHBondContact O-N 2.77Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 2.95Å; Q174-I176 PolarHBondContact O-N 2.91Å; Q174-A177 WeakPolarHBondContact O-CB 3.49Å; Q174-A177 PolarHBondContact O-N 2.97Å; Q174-A177 VanDerWaalsContact O-N 3.1Å; Q174-T178 WeakPolarHBondContact O-CG2 3.39Å; Q174-T178 PolarHBondContact O-N 3.39Å; Q174-K208 VanDerWaalsContact OE1-CD 3.26Å
175	Q	97	Very high	96.1	Very high	35 Å²	35	28.7 Å²	28.7	16%	0.164	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-42.9	-179.6	-64.5	-179.3	-77.2	0	0	112.3	A136 L147 A171 L172 A177 T178 L179	A136-Q175 HydrophobicContact CB-CB 4.42Å; A136-Q175 HydrophobicContact CB-CG 3.93Å; A136-Q175 WeakPolarHBondContact O-CG 3.27Å; A136-Q175 PolarHBondContact O-NE2 3.4Å; L147-Q175 HydrophobicContact CD1-CB 4.13Å; L147-Q175 HydrophobicContact CD2-CB 3.92Å; L147-Q175 HydrophobicContact CG-CB 4.45Å; L147-Q175 PolarHBondContact O-NE2 3.42Å; A171-Q175 WeakPolarHBondContact O-CG 3.28Å; A171-Q175 PolarHBondContact O-N 3Å; A171-Q175 VanDerWaalsContact O-N 3.11Å; L172-Q175 PolarHBondContact O-N 3.26Å; Q175-A177 VanDerWaalsContact C-N 3.3Å; Q175-A177 PolarHBondContact O-N 3.39Å; Q175-T178 PolarHBondContact O-N 3.24Å; Q175-T178 VanDerWaalsContact O-N 3.13Å; Q175-T178 PolarHBondContact O-OG1 3.05Å; Q175-L179 PolarHBondContact O-N 2.76Å; Q175-L179 VanDerWaalsContact O-N 3.16Å
176	I	98.4	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-39	175.2	-66.3	165.3	0	0	0	111.1	L147 L172 Q174 T178 L179 C180 L201 V205 L230 Y537	L147-I176 HydrophobicContact CD1-CD1 4.43Å; L147-I176 HydrophobicContact CD1-CG1 3.9Å; L172-I176 WeakPolarHBondContact O-CB 3.28Å; L172-I176 WeakPolarHBondContact O-CD1 3.36Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.94Å; Q174-I176 PolarHBondContact O-N 2.91Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-L179 WeakPolarHBondContact O-CB 3.32Å; I176-L179 PolarHBondContact O-N 2.78Å; I176-C180 PolarHBondContact O-N 3Å; I176-C180 PolarHBondContact O-SG 2.92Å; I176-C180 VanDerWaalsContact O-SG 3.37Å; I176-L201 HydrophobicContact CD1-CD1 4.4Å; I176-L201 HydrophobicContact CD1-CD2 4.32Å; I176-V205 HydrophobicContact CB-CG2 4.11Å; I176-V205 HydrophobicContact CD1-CG2 4.09Å; I176-V205 HydrophobicContact CG2-CG1 3.91Å; I176-V205 HydrophobicContact CG2-CG2 4.01Å; I176-L230 HydrophobicContact CG2-CD1 3.64Å; I176-Y537 HydrophobicContact CD1-CD1 3.6Å; I176-Y537 HydrophobicContact CD1-CD2 3.97Å; I176-Y537 HydrophobicContact CD1-CE1 3.74Å; I176-Y537 HydrophobicContact CD1-CE2 4.11Å; I176-Y537 HydrophobicContact CD1-CG 3.71Å; I176-Y537 HydrophobicContact CG1-CD2 4.18Å; I176-Y537 HydrophobicContact CG1-CE2 4.33Å; I176-Y537 HydrophobicContact CG1-CG 4.34Å
177	A	97.7	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-37.5	175	0	0	0	0	0	111.7	A173 Q174 Q175 L179 C180 A181 K208 F212	A173-A177 WeakPolarHBondContact O-CB 3.06Å; A173-A177 PolarHBondContact O-N 2.99Å; Q174-A177 WeakPolarHBondContact O-CB 3.49Å; Q174-A177 PolarHBondContact O-N 2.97Å; Q174-A177 VanDerWaalsContact O-N 3.1Å; Q175-A177 VanDerWaalsContact C-N 3.3Å; Q175-A177 PolarHBondContact O-N 3.39Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.96Å; A177-C180 PolarHBondContact O-N 2.89Å; A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.23Å; A177-K208 HydrophobicContact CB-CB 3.63Å; A177-F212 HydrophobicContact CB-CD2 4.04Å; A177-F212 HydrophobicContact CB-CE2 3.82Å
178	T	96.6	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-33.3	174.6	75.3	0	0	0	0	113.1	H134 A136 Q174 Q175 I176 T182 F212	H134-T178 HydrophobicContact CB-CG2 4.26Å; A136-T178 HydrophobicContact CB-CG2 4.21Å; A136-T178 PolarHBondContact N-OG1 3.48Å; Q174-T178 WeakPolarHBondContact O-CG2 3.39Å; Q174-T178 PolarHBondContact O-N 3.39Å; Q175-T178 PolarHBondContact O-N 3.24Å; Q175-T178 VanDerWaalsContact O-N 3.13Å; Q175-T178 PolarHBondContact O-OG1 3.05Å; I176-T178 VanDerWaalsContact C-N 3.34Å; T178-T182 VanDerWaalsContact O-CB 3.25Å; T178-T182 WeakPolarHBondContact O-CB 3.44Å; T178-T182 PolarHBondContact O-N 3.05Å; T178-T182 PolarHBondContact O-OG1 3.23Å; T178-F212 HydrophobicContact CG2-CZ 4.37Å
179	L	97.4	Very high	96.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-50.4	171.5	171.8	68.7	0	0	0	110.8	L6 F137 F145 Q175 I176 A177 A181 T182 L183 I535	L6-L179 HydrophobicContact CD2-CD1 4.11Å; F137-L179 HydrophobicContact CD1-CB 3.87Å; F137-L179 HydrophobicContact CD1-CD1 4.14Å; F137-L179 HydrophobicContact CD2-CD1 4Å; F137-L179 HydrophobicContact CE1-CB 3.96Å; F137-L179 HydrophobicContact CE1-CD1 3.72Å; F137-L179 HydrophobicContact CE1-CG 4.48Å; F137-L179 HydrophobicContact CE2-CD1 3.56Å; F137-L179 HydrophobicContact CG-CB 4.37Å; F137-L179 HydrophobicContact CG-CD1 4.28Å; F137-L179 HydrophobicContact CZ-CD1 3.41Å; F137-L179 VanDerWaalsContact CZ-CD1 3.41Å; F145-L179 HydrophobicContact CD1-CD2 3.69Å; F145-L179 HydrophobicContact CD2-CD2 3.81Å; F145-L179 HydrophobicContact CE1-CD2 3.55Å; F145-L179 HydrophobicContact CE2-CD2 3.67Å; F145-L179 HydrophobicContact CG-CD2 3.82Å; F145-L179 HydrophobicContact CZ-CD2 3.54Å; Q175-L179 PolarHBondContact O-N 2.76Å; Q175-L179 VanDerWaalsContact O-N 3.16Å; I176-L179 WeakPolarHBondContact O-CB 3.32Å; I176-L179 PolarHBondContact O-N 2.78Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 2.96Å; L179-A181 PolarHBondContact O-N 2.92Å; L179-T182 PolarHBondContact O-N 3.21Å; L179-L183 HydrophobicContact CD1-CD1 3.81Å; L179-L183 HydrophobicContact CD1-CG 4.27Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 WeakPolarHBondContact O-CG 3.32Å; L179-L183 PolarHBondContact O-N 3.38Å; L179-I535 HydrophobicContact CD2-CG2 4.09Å
180	C	96.8	Very high	96.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-45.6	178.7	-61.6	0	0	0	0	111.5	I176 A177 T182 L183 Q184 E185 L209	I176-C180 PolarHBondContact O-N 3Å; I176-C180 PolarHBondContact O-SG 2.92Å; I176-C180 VanDerWaalsContact O-SG 3.37Å; A177-C180 PolarHBondContact O-N 2.89Å; C180-T182 VanDerWaalsContact C-N 3.35Å; C180-T182 PolarHBondContact O-N 2.93Å; C180-L183 PolarHBondContact O-N 2.89Å; C180-Q184 PolarHBondContact O-N 3.05Å; C180-E185 PolarHBondContact O-N 2.84Å; C180-L209 HydrophobicContact CB-CD1 3.72Å
181	A	94.9	Very high	96.5	Very high	10 Å²	10	17 Å²	17	8%	0.083	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-41.3	176.4	0	0	0	0	0	112.2	A177 L179 L183 Q184 F212	A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 3.23Å; L179-A181 PolarHBondContact O-N 2.92Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 PolarHBondContact O-N 3.17Å; A181-Q184 PolarHBondContact O-N 3.49Å; A181-Q184 VanDerWaalsContact O-N 3.15Å; A181-Q184 PolarHBondContact O-NE2 3.1Å; A181-F212 HydrophobicContact CB-CD1 3.87Å; A181-F212 HydrophobicContact CB-CD2 4.35Å; A181-F212 HydrophobicContact CB-CE1 4.09Å; A181-F212 HydrophobicContact CB-CG 4.02Å; A181-F212 HydrophobicContact CB-CZ 4.43Å
182	T	94.6	Very high	96.4	Very high	14 Å²	14	16.3 Å²	16.3	9%	0.086	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-38.2	177.6	-65.4	0	0	0	0	112.3	V9 K13 H134 L135 F137 T178 L179 C180 Q184	V9-T182 HydrophobicContact CG1-CG2 3.87Å; K13-T182 HydrophobicContact CD-CG2 3.95Å; K13-T182 PolarHBondContact NZ-OG1 3.28Å; H134-T182 PolarHBondContact O-OG1 2.97Å; L135-T182 HydrophobicContact CD1-CG2 4.4Å; F137-T182 HydrophobicContact CE1-CG2 4.25Å; F137-T182 HydrophobicContact CZ-CG2 4.18Å; T178-T182 VanDerWaalsContact O-CB 3.25Å; T178-T182 WeakPolarHBondContact O-CB 3.44Å; T178-T182 PolarHBondContact O-N 3.05Å; T178-T182 PolarHBondContact O-OG1 3.23Å; L179-T182 PolarHBondContact O-N 3.21Å; C180-T182 VanDerWaalsContact C-N 3.35Å; C180-T182 PolarHBondContact O-N 2.93Å; T182-Q184 PolarHBondContact O-N 3.45Å
183	L	93.6	Very high	96.1	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-80.7	-4.4	176.5	-66.2	175.4	0	0	0	113.8	L6 V9 L179 C180 A181 E185 R533 I535 L564	L6-L183 HydrophobicContact CD2-CD1 4.32Å; L6-L183 HydrophobicContact CD2-CD2 3.91Å; V9-L183 HydrophobicContact CG1-CD2 4.37Å; L179-L183 HydrophobicContact CD1-CD1 3.81Å; L179-L183 HydrophobicContact CD1-CG 4.27Å; L179-L183 HydrophobicContact CG-CD1 4.12Å; L179-L183 WeakPolarHBondContact O-CG 3.32Å; L179-L183 PolarHBondContact O-N 3.38Å; C180-L183 PolarHBondContact O-N 2.89Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-L183 PolarHBondContact O-N 3.17Å; L183-E185 VanDerWaalsContact C-N 3.29Å; L183-E185 HydrophobicContact CB-CB 4.48Å; L183-E185 HydrophobicContact CB-CG 3.79Å; L183-E185 PolarHBondContact O-N 2.89Å; L183-R533 PolarHBondContact O-NH1 3.33Å; L183-R533 VanDerWaalsContact O-NH1 3.1Å; L183-I535 HydrophobicContact CD1-CD1 4.32Å; L183-L564 HydrophobicContact CD1-CD1 3.39Å
184	Q	93.9	Very high	95.4	Very high	85 Å²	85	25.8 Å²	25.8	40%	0.397	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	40.6	-173.5	-61.8	-70.9	-55.7	0	0	112.1	C180 A181 T182 G220 K225	C180-Q184 PolarHBondContact O-N 3.05Å; A181-Q184 PolarHBondContact O-N 3.49Å; A181-Q184 VanDerWaalsContact O-N 3.15Å; A181-Q184 PolarHBondContact O-NE2 3.1Å; T182-Q184 PolarHBondContact O-N 3.45Å; Q184-G220 PolarHBondContact O-N 2.82Å; Q184-K225 VanDerWaalsContact CB-NZ 3.34Å; Q184-K225 PolarHBondContact O-NZ 3.4Å
185	E	94.3	Very high	94.8	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.142	C	C	.	.			trans	-108.7	144.9	-179.1	-64.7	-63.8	154.7	0	0	111.6	C180 L183 S228 R533	C180-E185 PolarHBondContact O-N 2.84Å; L183-E185 VanDerWaalsContact C-N 3.29Å; L183-E185 HydrophobicContact CB-CB 4.48Å; L183-E185 HydrophobicContact CB-CG 3.79Å; L183-E185 PolarHBondContact O-N 2.89Å; E185-S228 WeakPolarHBondContact OE2-CB 3.42Å; E185-S228 PolarHBondContact OE2-OG 2.77Å; E185-R533 WeakPolarHBondContact OE1-CD 3.31Å; E185-R533 IonicContact OE1-CZ 3.28Å; E185-R533 IonicContact OE1-NE 3.55Å; E185-R533 IonicContact OE1-NH1 2.71Å; E185-R533 PolarHBondContact OE1-NH1 3.08Å
186	Y	96	Very high	94.3	Very high	72 Å²	72	31.3 Å²	31.3	28%	0.282	17%	0.167	S	C	.	.			trans	-127.4	72	167.3	-172	-95.8	0	0	0	108.1	L209 N210 K213 L219	Y186-L209 HydrophobicContact CD2-CD1 4.19Å; Y186-L209 HydrophobicContact CD2-CD2 3.6Å; Y186-L209 HydrophobicContact CD2-CG 3.52Å; Y186-L209 HydrophobicContact CE2-CB 4.45Å; Y186-L209 HydrophobicContact CE2-CD2 3.82Å; Y186-L209 HydrophobicContact CE2-CG 3.65Å; Y186-L209 HydrophobicContact CG-CD2 4.21Å; Y186-N210 PolarHBondContact OH-OD1 3.11Å; Y186-K213 HydrophobicContact CD2-CB 3.91Å; Y186-K213 HydrophobicContact CD2-CD 4.19Å; Y186-K213 HydrophobicContact CD2-CG 4.12Å; Y186-K213 HydrophobicContact CE2-CB 3.71Å; Y186-K213 HydrophobicContact CE2-CG 3.96Å; Y186-K213 HydrophobicContact CG-CD 4.49Å; Y186-L219 HydrophobicContact CD2-CD2 4.21Å
187	P	96.4	Very high	94	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.026	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-73.9	153.1	-169.5	30.7	-35.8	0	0	0	111.8	I189 S228 L230	P187-I189 PolarHBondContact O-N 3.33Å; P187-S228 CarbonylContact C-O 3.58Å; P187-S228 VanDerWaalsContact CA-O 3.32Å; P187-S228 WeakPolarHBondContact CA-O 3.38Å; P187-L230 HydrophobicContact CB-CB 3.98Å; P187-L230 HydrophobicContact CG-CB 3.67Å; P187-L230 HydrophobicContact CG-CD1 4.31Å
188	S	96.8	Very high	93.9	Very high	21 Å²	21	31.6 Å²	31.6	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.3	168.2	-60.7	0	0	0	0	109.7	S228 Q229 L230	S188-S228 PolarHBondContact N-O 2.76Å; S188-Q229 WeakPolarHBondContact O-CA 3Å; S188-L230 PolarHBondContact O-N 3.1Å
189	I	98.3	Very high	93.8	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.1	-172.7	-59.4	168.5	0	0	0	110.4	P187 A202 V205 L206 L209 L230 I232 F498 V499	P187-I189 PolarHBondContact O-N 3.33Å; I189-A202 HydrophobicContact CG2-CB 3.86Å; I189-V205 HydrophobicContact CD1-CB 4.28Å; I189-V205 HydrophobicContact CD1-CG1 3.78Å; I189-L206 HydrophobicContact CD1-CB 3.76Å; I189-L206 HydrophobicContact CD1-CD1 4.07Å; I189-L209 HydrophobicContact CD1-CD2 4.36Å; I189-L230 CarbonylContact C-O 3.58Å; I189-L230 WeakPolarHBondContact CA-O 3.36Å; I189-L230 HydrophobicContact CG1-CB 4.3Å; I189-L230 HydrophobicContact CG1-CD2 4.41Å; I189-L230 HydrophobicContact CG2-CD2 4.01Å; I189-I232 HydrophobicContact CG2-CD1 4.35Å; I189-F498 WeakPolarHBondContact O-CA 3.45Å; I189-V499 HydrophobicContact CB-CG2 4.12Å; I189-V499 HydrophobicContact CG2-CG2 3.76Å; I189-V499 PolarHBondContact O-N 3.06Å
190	R	97.8	Very high	93.8	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.5	174.8	-60.5	-179.4	79.7	167.9	0.9	110.3	L230 L231 I232 L491 W496 P497 F498	R190-L230 PolarHBondContact N-O 2.92Å; R190-L231 HydrophobicContact CB-CD1 3.84Å; R190-L231 WeakPolarHBondContact O-CA 3.16Å; R190-I232 PolarHBondContact O-N 3.4Å; R190-L491 PolarHBondContact NH2-O 3.13Å; R190-W496 VanDerWaalsContact CZ-O 3.27Å; R190-W496 PolarHBondContact NE-O 3.28Å; R190-W496 PolarHBondContact NH2-O 3.4Å; R190-P497 VanDerWaalsContact CA-O 3.27Å; R190-P497 WeakPolarHBondContact CA-O 3.41Å; R190-F498 VanDerWaalsContact CD-CZ 3.49Å; R190-F498 HydrophobicContact CG-CD1 3.45Å; R190-F498 VanDerWaalsContact CG-CD1 3.45Å; R190-F498 HydrophobicContact CG-CD2 4.3Å; R190-F498 HydrophobicContact CG-CE1 3.48Å; R190-F498 VanDerWaalsContact CG-CE1 3.48Å; R190-F498 HydrophobicContact CG-CE2 4.32Å; R190-F498 HydrophobicContact CG-CG 3.89Å; R190-F498 HydrophobicContact CG-CZ 3.93Å
191	Y	97.5	Very high	93.9	Very high	37 Å²	37	35.8 Å²	35.8	15%	0.145	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.8	178.1	65.1	-86.6	0	0	0	111.4	K193 A199 A202 I232 W496 P497 V499	Y191-K193 PolarHBondContact O-N 3.25Å; Y191-A199 HydrophobicContact CD2-CB 3.84Å; Y191-A199 HydrophobicContact CE2-CB 3.41Å; Y191-A199 VanDerWaalsContact CE2-CB 3.41Å; Y191-A202 HydrophobicContact CD1-CB 3.75Å; Y191-A202 HydrophobicContact CG-CB 4.02Å; Y191-I232 CarbonylContact C-O 3.56Å; Y191-I232 WeakPolarHBondContact CA-O 3.29Å; Y191-W496 WeakPolarHBondContact O-CA 3.29Å; Y191-P497 HydrophobicContact CD1-CG 4.42Å; Y191-P497 HydrophobicContact CD2-CG 4.45Å; Y191-P497 HydrophobicContact CE1-CG 3.86Å; Y191-P497 HydrophobicContact CE2-CG 3.88Å; Y191-P497 PolarHBondContact N-O 3.21Å; Y191-P497 WeakPolarHBondContact O-CD 3.49Å; Y191-V499 HydrophobicContact CD1-CG2 3.92Å; Y191-V499 HydrophobicContact CE1-CG2 4.13Å
192	R	94.9	Very high	94.1	Very high	13 Å²	13	35.3 Å²	35.3	5%	0.049	19%	0.188	C	C	.	.			trans	-69.5	119.6	173.4	-164.7	-175.1	75.3	115.9	-23.4	110.2	T198 I232 D234 A237 S458 W496	R192-T198 PolarHBondContact O-OG1 2.93Å; R192-I232 PolarHBondContact N-O 2.69Å; R192-D234 IonicContact CZ-OD1 3.39Å; R192-D234 IonicContact CZ-OD2 2.97Å; R192-D234 IonicContact NE-OD1 2.73Å; R192-D234 PolarHBondContact NE-OD1 2.95Å; R192-D234 IonicContact NE-OD2 3.58Å; R192-D234 IonicContact NH2-OD1 2.89Å; R192-D234 PolarHBondContact NH2-OD1 3.11Å; R192-D234 IonicContact NH2-OD2 2.93Å; R192-D234 PolarHBondContact NH2-OD2 2.86Å; R192-A237 VanDerWaalsContact CD-CB 3.49Å; R192-S458 PolarHBondContact NH1-O 3.39Å; R192-W496 HydrophobicContact CB-CE3 3.9Å; R192-W496 HydrophobicContact CB-CH2 3.84Å; R192-W496 HydrophobicContact CB-CZ2 4.48Å; R192-W496 HydrophobicContact CB-CZ3 3.51Å; R192-W496 HydrophobicContact CG-CE3 4.43Å; R192-W496 HydrophobicContact CG-CH2 4.03Å; R192-W496 HydrophobicContact CG-CZ2 4.23Å; R192-W496 HydrophobicContact CG-CZ3 4.14Å
193	K	90.9	Very high	94.2	Very high	130 Å²	130	39.3 Å²	39.3	57%	0.565	21%	0.205	S	C	*	.	S	Bend	trans	-72.3	139	174	-167.6	175.3	-175.7	175.8	0	110.7	Y191 K494 L495 P497	Y191-K193 PolarHBondContact O-N 3.25Å; K193-K494 VanDerWaalsContact CD-O 3.24Å; K193-K494 WeakPolarHBondContact CD-O 3.26Å; K193-L495 WeakPolarHBondContact CB-O 3.5Å; K193-L495 PolarHBondContact N-O 3.45Å; K193-P497 HydrophobicContact CB-CG 4.22Å
194	G	84.1	Confident	94.5	Very high	68 Å²	68	39.8 Å²	39.8	70%	0.701	21%	0.211	S	C	*	.	S	Bend	trans	136.3	-76.6	180	0	0	0	0	0	109.6
195	P	82.3	Confident	94.7	Very high	38 Å²	38	35.7 Å²	35.7	25%	0.247	19%	0.192	C	C	.	.	S	Bend	trans	-63.1	142.9	172.8	-19.5	32.8	0	0	0	112.3	T198 D234	P195-T198 HydrophobicContact CB-CG2 4.28Å; P195-T198 HydrophobicContact CG-CG2 4.45Å; P195-T198 PolarHBondContact O-OG1 3.47Å; P195-D234 WeakPolarHBondContact CG-OD1 3.32Å
196	E	87.4	Confident	94.8	Very high	145 Å²	145	36.9 Å²	36.9	68%	0.678	20%	0.198	S	C	*	.	H	α-helix	trans	-70.6	-36.7	176.5	-170.2	174.4	-174.8	0	0	111.8	T198 A199 Q200	E196-T198 PolarHBondContact O-N 2.93Å; E196-A199 WeakPolarHBondContact O-CB 3.29Å; E196-A199 PolarHBondContact O-N 3.36Å; E196-Q200 PolarHBondContact O-N 3.47Å
197	D	91.5	Very high	94.9	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-36.8	-174.9	-73.7	1.3	0	0	0	114	R165 L169 A199 Q200 L201	R165-D197 IonicContact CZ-OD1 3.82Å; R165-D197 IonicContact CZ-OD2 3.35Å; R165-D197 VanDerWaalsContact NE-CG 3.26Å; R165-D197 IonicContact NE-OD1 3.68Å; R165-D197 PolarHBondContact NE-OD1 3.09Å; R165-D197 IonicContact NE-OD2 3.56Å; R165-D197 PolarHBondContact NE-OD2 2.73Å; R165-D197 IonicContact NH1-OD1 3.3Å; R165-D197 IonicContact NH2-OD1 3.08Å; R165-D197 PolarHBondContact NH2-OD1 2.91Å; R165-D197 IonicContact NH2-OD2 3.03Å; R165-D197 PolarHBondContact NH2-OD2 2.94Å; L169-D197 HydrophobicContact CD1-CB 4.41Å; D197-A199 VanDerWaalsContact C-N 3.3Å; D197-A199 PolarHBondContact O-N 3.11Å; D197-Q200 PolarHBondContact O-N 3Å; D197-L201 VanDerWaalsContact O-CB 3.23Å; D197-L201 WeakPolarHBondContact O-CB 3.42Å; D197-L201 PolarHBondContact O-N 3.29Å
198	T	94.9	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-39.9	179	53	0	0	0	0	110.3	R192 P195 E196 A202 I232 D234	R192-T198 PolarHBondContact O-OG1 2.93Å; P195-T198 HydrophobicContact CB-CG2 4.28Å; P195-T198 HydrophobicContact CG-CG2 4.45Å; P195-T198 PolarHBondContact O-OG1 3.47Å; E196-T198 PolarHBondContact O-N 2.93Å; T198-A202 VanDerWaalsContact O-CB 3.26Å; T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.49Å; T198-I232 HydrophobicContact CG2-CG2 4.27Å; T198-D234 HydrophobicContact CG2-CB 3.84Å
199	A	96.4	Very high	94.9	Very high	21 Å²	21	37.5 Å²	37.5	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-46.6	175.5	0	0	0	0	0	111.4	Y191 E196 D197 L201 A202 H203	Y191-A199 HydrophobicContact CD2-CB 3.84Å; Y191-A199 HydrophobicContact CE2-CB 3.41Å; Y191-A199 VanDerWaalsContact CE2-CB 3.41Å; E196-A199 WeakPolarHBondContact O-CB 3.29Å; E196-A199 PolarHBondContact O-N 3.36Å; D197-A199 VanDerWaalsContact C-N 3.3Å; D197-A199 PolarHBondContact O-N 3.11Å; A199-L201 PolarHBondContact O-N 2.91Å; A199-A202 PolarHBondContact O-N 3.31Å; A199-H203 PolarHBondContact O-N 3.04Å; A199-H203 PolarHBondContact O-ND1 2.86Å
200	Q	97.4	Very high	94.8	Very high	66 Å²	66	40.6 Å²	40.6	31%	0.308	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-45.5	179.4	-174.5	177.8	-0.6	0	0	111.4	L169 E196 D197 A202 H203 A204	L169-Q200 HydrophobicContact CD1-CB 4.13Å; L169-Q200 HydrophobicContact CD1-CG 3.95Å; E196-Q200 PolarHBondContact O-N 3.47Å; D197-Q200 PolarHBondContact O-N 3Å; Q200-A202 VanDerWaalsContact C-N 3.35Å; Q200-A202 PolarHBondContact O-N 3.33Å; Q200-H203 PolarHBondContact O-N 3.43Å; Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 3.03Å
201	L	98.2	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-44.2	175.5	-175.3	58.5	0	0	0	111.3	L169 L172 A173 I176 D197 A199 H203 A204 V205 I232 Y537 V539	L169-L201 HydrophobicContact CD2-CB 4.23Å; L169-L201 HydrophobicContact CD2-CD1 4.39Å; L169-L201 WeakPolarHBondContact O-CD1 3.48Å; L172-L201 HydrophobicContact CB-CD1 4.11Å; A173-L201 HydrophobicContact CB-CD1 4Å; I176-L201 HydrophobicContact CD1-CD1 4.4Å; I176-L201 HydrophobicContact CD1-CD2 4.32Å; D197-L201 VanDerWaalsContact O-CB 3.23Å; D197-L201 WeakPolarHBondContact O-CB 3.42Å; D197-L201 PolarHBondContact O-N 3.29Å; A199-L201 PolarHBondContact O-N 2.91Å; L201-H203 PolarHBondContact O-N 2.85Å; L201-A204 PolarHBondContact O-N 3.27Å; L201-V205 HydrophobicContact CD1-CG2 4.26Å; L201-V205 HydrophobicContact CG-CG2 4.37Å; L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.37Å; L201-V205 PolarHBondContact O-N 3.4Å; L201-I232 HydrophobicContact CD2-CD1 4.41Å; L201-I232 HydrophobicContact CD2-CG2 3.97Å; L201-I232 HydrophobicContact CG-CD1 4.11Å; L201-Y537 HydrophobicContact CD2-CD1 3.85Å; L201-Y537 HydrophobicContact CD2-CE1 3.67Å; L201-V539 HydrophobicContact CD2-CG2 3.73Å
202	A	98.2	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-42	-179.1	0	0	0	0	0	112.9	I189 Y191 T198 A199 Q200 L206 I232 V499	I189-A202 HydrophobicContact CG2-CB 3.86Å; Y191-A202 HydrophobicContact CD1-CB 3.75Å; Y191-A202 HydrophobicContact CG-CB 4.02Å; T198-A202 VanDerWaalsContact O-CB 3.26Å; T198-A202 WeakPolarHBondContact O-CB 3.47Å; T198-A202 PolarHBondContact O-N 3.49Å; A199-A202 PolarHBondContact O-N 3.31Å; Q200-A202 VanDerWaalsContact C-N 3.35Å; Q200-A202 PolarHBondContact O-N 3.33Å; A202-L206 PolarHBondContact O-N 3.24Å; A202-I232 VanDerWaalsContact CA-CD1 3.48Å; A202-I232 HydrophobicContact CB-CD1 3.72Å; A202-V499 HydrophobicContact CB-CG2 3.52Å
203	H	98	Very high	94.6	Very high	98 Å²	98	44.7 Å²	44.7	45%	0.454	26%	0.256	S	S	.	.	H	α-helix	trans	-68.2	-39.3	174.9	-71.8	79.5	0	0	0	111.9	A199 Q200 L201 L206 A207	A199-H203 PolarHBondContact O-N 3.04Å; A199-H203 PolarHBondContact O-ND1 2.86Å; Q200-H203 PolarHBondContact O-N 3.43Å; L201-H203 PolarHBondContact O-N 2.85Å; H203-L206 PolarHBondContact O-N 3.47Å; H203-A207 PolarHBondContact O-N 2.84Å
204	A	98.3	Very high	94.8	Very high	20 Å²	20	42 Å²	42	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-45.7	175.6	0	0	0	0	0	111.3	A173 Q200 L201 L206 A207 K208	A173-A204 HydrophobicContact CB-CB 3.54Å; Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 3.03Å; L201-A204 PolarHBondContact O-N 3.27Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 3.34Å; A204-A207 PolarHBondContact O-N 3.38Å; A204-K208 WeakPolarHBondContact O-CG 3.29Å; A204-K208 PolarHBondContact O-N 3.3Å
205	V	98.4	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-45	175.7	173.7	0	0	0	0	110.5	A173 I176 I189 L201 A207 K208 L209 L230 I232	A173-V205 HydrophobicContact CB-CG2 3.85Å; I176-V205 HydrophobicContact CB-CG2 4.11Å; I176-V205 HydrophobicContact CD1-CG2 4.09Å; I176-V205 HydrophobicContact CG2-CG1 3.91Å; I176-V205 HydrophobicContact CG2-CG2 4.01Å; I189-V205 HydrophobicContact CD1-CB 4.28Å; I189-V205 HydrophobicContact CD1-CG1 3.78Å; L201-V205 HydrophobicContact CD1-CG2 4.26Å; L201-V205 HydrophobicContact CG-CG2 4.37Å; L201-V205 VanDerWaalsContact O-CG2 3.27Å; L201-V205 WeakPolarHBondContact O-CG2 3.37Å; L201-V205 PolarHBondContact O-N 3.4Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 3.22Å; V205-K208 PolarHBondContact O-N 3.47Å; V205-L209 VanDerWaalsContact O-CB 3.25Å; V205-L209 WeakPolarHBondContact O-CB 3.44Å; V205-L209 PolarHBondContact O-N 2.91Å; V205-L230 HydrophobicContact CG1-CD1 4.45Å; V205-I232 HydrophobicContact CG2-CD1 4.39Å
206	L	97.8	Very high	95.7	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-43.7	177.2	-178.1	61.1	0	0	0	111.8	I189 A202 H203 A204 L209 N210 V499 S500	I189-L206 HydrophobicContact CD1-CB 3.76Å; I189-L206 HydrophobicContact CD1-CD1 4.07Å; A202-L206 PolarHBondContact O-N 3.24Å; H203-L206 PolarHBondContact O-N 3.47Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-L206 PolarHBondContact O-N 3.34Å; L206-L209 PolarHBondContact O-N 3.49Å; L206-N210 WeakPolarHBondContact O-CB 3.27Å; L206-N210 PolarHBondContact O-N 3.37Å; L206-N210 PolarHBondContact O-ND2 3.3Å; L206-V499 HydrophobicContact CB-CG1 4.32Å; L206-V499 HydrophobicContact CD2-CB 4.21Å; L206-V499 HydrophobicContact CD2-CG1 3.44Å; L206-V499 VanDerWaalsContact CD2-CG1 3.44Å; L206-S500 WeakPolarHBondContact CD2-OG 3.28Å
207	A	97.6	Very high	95.9	Very high	60 Å²	60	43.2 Å²	43.2	50%	0.496	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-45.1	179	0	0	0	0	0	112.1	H203 A204 V205 N210 A211	H203-A207 PolarHBondContact O-N 2.84Å; A204-A207 PolarHBondContact O-N 3.38Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 PolarHBondContact O-N 3.22Å; A207-N210 PolarHBondContact O-N 2.87Å; A207-A211 PolarHBondContact O-N 3.06Å
208	K	96.9	Very high	96	Very high	49 Å²	49	46 Å²	46	21%	0.213	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-41	175.9	-56.5	-55.1	-168.2	178.9	0	111.7	D170 A173 Q174 A177 A204 V205 N210 A211 F212	D170-K208 VanDerWaalsContact CG-NZ 3.3Å; D170-K208 WeakPolarHBondContact OD1-CE 3.43Å; D170-K208 IonicContact OD1-NZ 3.44Å; D170-K208 PolarHBondContact OD1-NZ 2.99Å; D170-K208 IonicContact OD2-NZ 3.63Å; D170-K208 PolarHBondContact OD2-NZ 2.87Å; A173-K208 HydrophobicContact CB-CG 4.45Å; Q174-K208 VanDerWaalsContact OE1-CD 3.26Å; A177-K208 HydrophobicContact CB-CB 3.63Å; A204-K208 WeakPolarHBondContact O-CG 3.29Å; A204-K208 PolarHBondContact O-N 3.3Å; V205-K208 PolarHBondContact O-N 3.47Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 2.93Å; K208-A211 WeakPolarHBondContact O-CB 3.45Å; K208-A211 PolarHBondContact O-N 3.18Å; K208-A211 VanDerWaalsContact O-N 3.15Å; K208-F212 WeakPolarHBondContact O-CD2 3.27Å; K208-F212 PolarHBondContact O-N 3.41Å
209	L	96.3	Very high	95.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-33.8	179.2	-170.5	65.6	0	0	0	112.4	C180 Y186 I189 V205 L206 A211 F212 K213 L219	C180-L209 HydrophobicContact CB-CD1 3.72Å; Y186-L209 HydrophobicContact CD2-CD1 4.19Å; Y186-L209 HydrophobicContact CD2-CD2 3.6Å; Y186-L209 HydrophobicContact CD2-CG 3.52Å; Y186-L209 HydrophobicContact CE2-CB 4.45Å; Y186-L209 HydrophobicContact CE2-CD2 3.82Å; Y186-L209 HydrophobicContact CE2-CG 3.65Å; Y186-L209 HydrophobicContact CG-CD2 4.21Å; I189-L209 HydrophobicContact CD1-CD2 4.36Å; V205-L209 VanDerWaalsContact O-CB 3.25Å; V205-L209 WeakPolarHBondContact O-CB 3.44Å; V205-L209 PolarHBondContact O-N 2.91Å; L206-L209 PolarHBondContact O-N 3.49Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 2.99Å; L209-F212 PolarHBondContact O-N 2.83Å; L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 PolarHBondContact O-N 3.34Å; L209-L219 HydrophobicContact CD1-CD2 4.01Å
210	N	96.6	Very high	95.5	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-36.1	172.4	-75	-21.2	0	0	0	112.3	Y186 L206 A207 K208 K213 A214	Y186-N210 PolarHBondContact OH-OD1 3.11Å; L206-N210 WeakPolarHBondContact O-CB 3.27Å; L206-N210 PolarHBondContact O-N 3.37Å; L206-N210 PolarHBondContact O-ND2 3.3Å; A207-N210 PolarHBondContact O-N 2.87Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 2.93Å; N210-K213 PolarHBondContact O-N 3.06Å; N210-A214 WeakPolarHBondContact O-CB 3.42Å; N210-A214 PolarHBondContact O-N 2.91Å
211	A	95.4	Very high	95	Very high	55 Å²	55	48.1 Å²	48.1	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-63.5	-48.1	173.7	0	0	0	0	0	111	A207 K208 L209 K213 A214 D215	A207-A211 PolarHBondContact O-N 3.06Å; K208-A211 WeakPolarHBondContact O-CB 3.45Å; K208-A211 PolarHBondContact O-N 3.18Å; K208-A211 VanDerWaalsContact O-N 3.15Å; L209-A211 VanDerWaalsContact C-N 3.29Å; L209-A211 PolarHBondContact O-N 2.99Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 3.34Å; A211-A214 WeakPolarHBondContact O-CB 3.41Å; A211-A214 PolarHBondContact O-N 2.77Å; A211-A214 VanDerWaalsContact O-N 3.15Å; A211-D215 PolarHBondContact O-N 3.42Å; A211-D215 VanDerWaalsContact O-N 3.13Å
212	F	94.4	Very high	94.4	Very high	25 Å²	25	49.6 Å²	49.6	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-38.2	175	-75.8	-68.6	0	0	0	113.2	H134 A177 T178 A181 K208 L209 D215 T216 L219	H134-F212 HydrophobicContact CB-CE1 3.87Å; H134-F212 HydrophobicContact CB-CZ 4.01Å; H134-F212 AromaticContact CD2-CE1 3.81Å; H134-F212 AromaticContact CD2-CZ 3.82Å; H134-F212 AromaticContact CG-CE1 3.61Å; H134-F212 AromaticContact CG-CZ 3.93Å; H134-F212 AromaticContact ND1-CE1 3.99Å; A177-F212 HydrophobicContact CB-CD2 4.04Å; A177-F212 HydrophobicContact CB-CE2 3.82Å; T178-F212 HydrophobicContact CG2-CZ 4.37Å; A181-F212 HydrophobicContact CB-CD1 3.87Å; A181-F212 HydrophobicContact CB-CD2 4.35Å; A181-F212 HydrophobicContact CB-CE1 4.09Å; A181-F212 HydrophobicContact CB-CG 4.02Å; A181-F212 HydrophobicContact CB-CZ 4.43Å; K208-F212 WeakPolarHBondContact O-CD2 3.27Å; K208-F212 PolarHBondContact O-N 3.41Å; L209-F212 PolarHBondContact O-N 2.83Å; F212-D215 PolarHBondContact O-N 2.85Å; F212-T216 PolarHBondContact O-N 2.98Å; F212-L219 HydrophobicContact CB-CD2 3.98Å
213	K	94.8	Very high	93.6	Very high	58 Å²	58	55.1 Å²	55.1	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-68.6	-34.5	176.9	-177.3	62.4	172	-176.4	0	112.4	Y186 L209 N210 A211 T216 P217 L219	Y186-K213 HydrophobicContact CD2-CB 3.91Å; Y186-K213 HydrophobicContact CD2-CD 4.19Å; Y186-K213 HydrophobicContact CD2-CG 4.12Å; Y186-K213 HydrophobicContact CE2-CB 3.71Å; Y186-K213 HydrophobicContact CE2-CG 3.96Å; Y186-K213 HydrophobicContact CG-CD 4.49Å; L209-K213 WeakPolarHBondContact O-CB 3.42Å; L209-K213 PolarHBondContact O-N 3.34Å; N210-K213 PolarHBondContact O-N 3.06Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 3.34Å; K213-T216 CarbonylContact O-C 3.21Å; K213-P217 WeakPolarHBondContact CE-O 3.22Å; K213-P217 PolarHBondContact NZ-O 2.98Å; K213-P217 WeakPolarHBondContact O-CA 3.37Å; K213-L219 HydrophobicContact CB-CD2 4.35Å; K213-L219 HydrophobicContact CD-CB 3.95Å; K213-L219 PolarHBondContact NZ-O 3.29Å
214	A	95.6	Very high	93	Very high	75 Å²	75	54.4 Å²	54.4	62%	0.62	33%	0.334	S	S	*	.	H	α-helix	trans	-65.1	-41.4	175	0	0	0	0	0	111.3	N210 A211	N210-A214 WeakPolarHBondContact O-CB 3.42Å; N210-A214 PolarHBondContact O-N 2.91Å; A211-A214 WeakPolarHBondContact O-CB 3.41Å; A211-A214 PolarHBondContact O-N 2.77Å; A211-A214 VanDerWaalsContact O-N 3.15Å
215	D	92.4	Very high	92.5	Very high	134 Å²	134	56.1 Å²	56.1	72%	0.717	34%	0.338	S	S	*	.	H	α-helix	trans	-74.8	-34.5	178	-67.8	-19.3	0	0	0	112.6	A211 F212	A211-D215 PolarHBondContact O-N 3.42Å; A211-D215 VanDerWaalsContact O-N 3.13Å; F212-D215 PolarHBondContact O-N 2.85Å
216	T	92.3	Very high	92.1	Very high	57 Å²	57	59.3 Å²	59.3	35%	0.35	36%	0.358	S	S	.	.			trans	-126.9	86.9	179.4	-56.4	0	0	0	0	111	F212 K213 S218 L219	F212-T216 PolarHBondContact O-N 2.98Å; K213-T216 CarbonylContact O-C 3.21Å; T216-S218 WeakPolarHBondContact CG2-OG 3.49Å; T216-S218 PolarHBondContact O-N 3.44Å; T216-S218 VanDerWaalsContact O-N 3.09Å; T216-L219 HydrophobicContact CG2-CB 4.45Å; T216-L219 WeakPolarHBondContact O-CB 3.35Å; T216-L219 PolarHBondContact O-N 3.46Å
217	P	93.3	Very high	91.7	Very high	84 Å²	84	63.8 Å²	63.8	55%	0.545	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	-178.6	-28.4	36.5	0	0	0	114.4	K213 L219	K213-P217 WeakPolarHBondContact CE-O 3.22Å; K213-P217 PolarHBondContact NZ-O 2.98Å; K213-P217 WeakPolarHBondContact O-CA 3.37Å; P217-L219 PolarHBondContact O-N 3.31Å
218	S	92.1	Very high	91.6	Very high	67 Å²	67	60.9 Å²	60.9	47%	0.469	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.2	176.7	58.1	0	0	0	0	114.6	T216 G220 E221	T216-S218 WeakPolarHBondContact CG2-OG 3.49Å; T216-S218 PolarHBondContact O-N 3.44Å; T216-S218 VanDerWaalsContact O-N 3.09Å; S218-G220 PolarHBondContact O-N 3.43Å; S218-E221 WeakPolarHBondContact O-CB 3.07Å; S218-E221 PolarHBondContact O-N 2.88Å; S218-E221 VanDerWaalsContact O-N 3.13Å
219	L	92.2	Very high	91.7	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	123.4	-177.6	-177	69.4	0	0	0	111.4	Y186 L209 F212 K213 T216 P217 E221	Y186-L219 HydrophobicContact CD2-CD2 4.21Å; L209-L219 HydrophobicContact CD1-CD2 4.01Å; F212-L219 HydrophobicContact CB-CD2 3.98Å; K213-L219 HydrophobicContact CB-CD2 4.35Å; K213-L219 HydrophobicContact CD-CB 3.95Å; K213-L219 PolarHBondContact NZ-O 3.29Å; T216-L219 HydrophobicContact CG2-CB 4.45Å; T216-L219 WeakPolarHBondContact O-CB 3.35Å; T216-L219 PolarHBondContact O-N 3.46Å; P217-L219 PolarHBondContact O-N 3.31Å; L219-E221 PolarHBondContact O-N 3.26Å
220	G	88.9	Confident	91.8	Very high	6 Å²	6	59.3 Å²	59.3	6%	0.062	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	12.8	-178.4	0	0	0	0	0	115.4	Q184 S218	Q184-G220 PolarHBondContact O-N 2.82Å; S218-G220 PolarHBondContact O-N 3.43Å
221	E	87.2	Confident	91.9	Very high	121 Å²	121	56 Å²	56	57%	0.565	33%	0.325	S	S	*	.			trans	-72.4	139.6	172.3	-70.6	-172.6	168.4	0	0	111.6	S218 L219	S218-E221 WeakPolarHBondContact O-CB 3.07Å; S218-E221 PolarHBondContact O-N 2.88Å; S218-E221 VanDerWaalsContact O-N 3.13Å; L219-E221 PolarHBondContact O-N 3.26Å
222	G	85.4	Confident	92	Very high	32 Å²	32	53.4 Å²	53.4	33%	0.33	30%	0.303	S	S	.	.	S	Bend	trans	132.3	150.4	177.7	0	0	0	0	0	112.8	E224 K225 T226	G222-E224 PolarHBondContact O-N 3.28Å; G222-K225 PolarHBondContact O-N 3.46Å; G222-T226 WeakPolarHBondContact O-CB 3.42Å; G222-T226 VanDerWaalsContact O-CG2 3.22Å; G222-T226 WeakPolarHBondContact O-CG2 3.26Å; G222-T226 PolarHBondContact O-N 2.79Å; G222-T226 VanDerWaalsContact O-N 3.07Å; G222-T226 PolarHBondContact O-OG1 2.7Å
223	P	81.9	Confident	92.1	Very high	115 Å²	115	52.2 Å²	52.2	75%	0.747	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.6	-176.6	25.9	-34.6	0	0	0	113.2	T226	P223-T226 PolarHBondContact O-OG1 3.09Å
224	E	86.1	Confident	92.1	Very high	83 Å²	83	49.8 Å²	49.8	39%	0.388	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-46.9	177.6	-63.9	-172.7	153.9	0	0	111.4	G222 T226 R227 A530 G531 P532	G222-E224 PolarHBondContact O-N 3.28Å; E224-T226 VanDerWaalsContact C-N 3.3Å; E224-T226 PolarHBondContact O-N 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 3.48Å; E224-A530 VanDerWaalsContact OE2-O 3.13Å; E224-G531 WeakPolarHBondContact OE2-CA 3.39Å; E224-P532 WeakPolarHBondContact O-CB 3.49Å
225	K	87.4	Confident	92.1	Very high	56 Å²	56	46.2 Å²	46.2	24%	0.243	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-64.6	-30.2	-178.2	-67.7	-170.7	166	-165.8	0	114.5	Q184 G222 R227 S228	Q184-K225 VanDerWaalsContact CB-NZ 3.34Å; Q184-K225 PolarHBondContact O-NZ 3.4Å; G222-K225 PolarHBondContact O-N 3.46Å; K225-R227 PolarHBondContact O-N 2.83Å; K225-S228 VanDerWaalsContact O-CB 3.25Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 2.84Å; K225-S228 PolarHBondContact O-OG 3.21Å
226	T	88.6	Confident	92.1	Very high	67 Å²	67	39.9 Å²	39.9	41%	0.411	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.5	-18.7	174.8	47.8	0	0	0	0	113.3	G222 P223 E224	G222-T226 WeakPolarHBondContact O-CB 3.42Å; G222-T226 VanDerWaalsContact O-CG2 3.22Å; G222-T226 WeakPolarHBondContact O-CG2 3.26Å; G222-T226 PolarHBondContact O-N 2.79Å; G222-T226 VanDerWaalsContact O-N 3.07Å; G222-T226 PolarHBondContact O-OG1 2.7Å; P223-T226 PolarHBondContact O-OG1 3.09Å; E224-T226 VanDerWaalsContact C-N 3.3Å; E224-T226 PolarHBondContact O-N 3.32Å
227	R	91.4	Very high	92.1	Very high	120 Å²	120	37.1 Å²	37.1	45%	0.453	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-92.5	-5.7	175.3	-64.8	170	56.4	-154.5	-4.8	113.2	E224 K225 P532 W561	E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 3.48Å; K225-R227 PolarHBondContact O-N 2.83Å; R227-P532 HydrophobicContact CB-CB 3.95Å; R227-W561 WeakPolarHBondContact O-CH2 3.35Å
228	S	95.5	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.			trans	-61.2	142.3	179.1	-63.1	0	0	0	0	110.8	E185 P187 S188 K225 R533	E185-S228 WeakPolarHBondContact OE2-CB 3.42Å; E185-S228 PolarHBondContact OE2-OG 2.77Å; P187-S228 CarbonylContact C-O 3.58Å; P187-S228 VanDerWaalsContact CA-O 3.32Å; P187-S228 WeakPolarHBondContact CA-O 3.38Å; S188-S228 PolarHBondContact N-O 2.76Å; K225-S228 VanDerWaalsContact O-CB 3.25Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 2.84Å; K225-S228 PolarHBondContact O-OG 3.21Å; S228-R533 CarbonylContact C-O 3.6Å; S228-R533 WeakPolarHBondContact CA-O 3.19Å; S228-R533 WeakPolarHBondContact CB-O 3.39Å; S228-R533 PolarHBondContact OG-N 3.48Å; S228-R533 VanDerWaalsContact OG-N 3.13Å
229	Q	97.4	Very high	92.4	Very high	16 Å²	16	30 Å²	30	8%	0.075	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.4	179.7	-64.3	-175.4	45.6	0	0	110.4	S188 V486 R533 L534 I535	S188-Q229 WeakPolarHBondContact O-CA 3Å; Q229-V486 HydrophobicContact CB-CG1 4.28Å; Q229-V486 HydrophobicContact CG-CG1 4.4Å; Q229-R533 PolarHBondContact N-O 3.42Å; Q229-L534 HydrophobicContact CB-CD1 4.19Å; Q229-I535 PolarHBondContact O-N 3.22Å
230	L	98.5	Very high	92.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.7	171.1	-177.5	150.2	0	0	0	108.4	I176 P187 S188 I189 R190 V205 I232 I535	I176-L230 HydrophobicContact CG2-CD1 3.64Å; P187-L230 HydrophobicContact CB-CB 3.98Å; P187-L230 HydrophobicContact CG-CB 3.67Å; P187-L230 HydrophobicContact CG-CD1 4.31Å; S188-L230 PolarHBondContact O-N 3.1Å; I189-L230 CarbonylContact C-O 3.58Å; I189-L230 WeakPolarHBondContact CA-O 3.36Å; I189-L230 HydrophobicContact CG1-CB 4.3Å; I189-L230 HydrophobicContact CG1-CD2 4.41Å; I189-L230 HydrophobicContact CG2-CD2 4.01Å; R190-L230 PolarHBondContact N-O 2.92Å; V205-L230 HydrophobicContact CG1-CD1 4.45Å; L230-I232 HydrophobicContact CD2-CD1 3.78Å; L230-I232 HydrophobicContact CD2-CG1 3.67Å; L230-I535 CarbonylContact C-O 3.55Å; L230-I535 VanDerWaalsContact CA-O 3.26Å; L230-I535 WeakPolarHBondContact CA-O 3.39Å; L230-I535 HydrophobicContact CB-CB 4.4Å; L230-I535 HydrophobicContact CD1-CB 4.42Å; L230-I535 HydrophobicContact CD1-CG2 4.16Å; L230-I535 HydrophobicContact CG-CB 4.31Å; L230-I535 HydrophobicContact CG-CG2 4.34Å
231	L	98.3	Very high	93.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.2	-176.1	-169.9	79.1	0	0	0	110.4	R190 I479 V482 L491 W496 I535 V536 Y537	R190-L231 HydrophobicContact CB-CD1 3.84Å; R190-L231 WeakPolarHBondContact O-CA 3.16Å; L231-I479 HydrophobicContact CD2-CD1 4.35Å; L231-V482 HydrophobicContact CD2-CG1 3.37Å; L231-L491 HydrophobicContact CD1-CD2 4.02Å; L231-W496 HydrophobicContact CD1-CD2 4.09Å; L231-W496 HydrophobicContact CD1-CE3 3.35Å; L231-W496 HydrophobicContact CD1-CZ3 3.68Å; L231-W496 HydrophobicContact CD2-CE3 4.35Å; L231-W496 HydrophobicContact CD2-CH2 4.2Å; L231-W496 HydrophobicContact CD2-CZ3 3.91Å; L231-W496 HydrophobicContact CG-CE3 4Å; L231-W496 HydrophobicContact CG-CZ3 3.76Å; L231-I535 PolarHBondContact N-O 2.97Å; L231-V536 HydrophobicContact CB-CG2 4.45Å; L231-Y537 PolarHBondContact O-N 2.9Å
232	I	98.6	Very high	93.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.8	175.7	-67.5	161.3	0	0	0	110.3	I189 R190 Y191 R192 T198 L201 A202 V205 L230 Y537 V539	I189-I232 HydrophobicContact CG2-CD1 4.35Å; R190-I232 PolarHBondContact O-N 3.4Å; Y191-I232 CarbonylContact C-O 3.56Å; Y191-I232 WeakPolarHBondContact CA-O 3.29Å; R192-I232 PolarHBondContact N-O 2.69Å; T198-I232 HydrophobicContact CG2-CG2 4.27Å; L201-I232 HydrophobicContact CD2-CD1 4.41Å; L201-I232 HydrophobicContact CD2-CG2 3.97Å; L201-I232 HydrophobicContact CG-CD1 4.11Å; A202-I232 VanDerWaalsContact CA-CD1 3.48Å; A202-I232 HydrophobicContact CB-CD1 3.72Å; V205-I232 HydrophobicContact CG2-CD1 4.39Å; L230-I232 HydrophobicContact CD2-CD1 3.78Å; L230-I232 HydrophobicContact CD2-CG1 3.67Å; I232-Y537 WeakPolarHBondContact CA-O 3.41Å; I232-V539 HydrophobicContact CG2-CG2 4.26Å
233	M	96.4	Very high	94.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.5	178.4	-178	174.3	174.5	0	0	109.5	A237 D238 L460 I479 W496 Y537 I538 V539	M233-A237 HydrophobicContact CE-CB 3.32Å; M233-A237 HydrophobicContact CG-CB 3.86Å; M233-A237 HydrophobicContact SD-CB 4.36Å; M233-D238 HydrophobicContact CE-CB 3.96Å; M233-L460 HydrophobicContact CE-CD1 4.15Å; M233-I479 HydrophobicContact SD-CD1 3.7Å; M233-W496 HydrophobicContact CB-CH2 4.02Å; M233-W496 HydrophobicContact CB-CZ3 4.2Å; M233-W496 HydrophobicContact CG-CH2 3.98Å; M233-W496 HydrophobicContact SD-CH2 3.99Å; M233-Y537 PolarHBondContact N-O 2.94Å; M233-I538 CarbonylContact O-C 3.54Å; M233-I538 VanDerWaalsContact O-CA 3.26Å; M233-I538 WeakPolarHBondContact O-CA 3.42Å; M233-V539 PolarHBondContact O-N 3.11Å
234	D	94.9	Very high	95.1	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.032	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	157.1	171.8	60.3	-64.9	0	0	0	111.7	R192 P195 T198 A236 A237	R192-D234 IonicContact CZ-OD1 3.39Å; R192-D234 IonicContact CZ-OD2 2.97Å; R192-D234 IonicContact NE-OD1 2.73Å; R192-D234 PolarHBondContact NE-OD1 2.95Å; R192-D234 IonicContact NE-OD2 3.58Å; R192-D234 IonicContact NH2-OD1 2.89Å; R192-D234 PolarHBondContact NH2-OD1 3.11Å; R192-D234 IonicContact NH2-OD2 2.93Å; R192-D234 PolarHBondContact NH2-OD2 2.86Å; P195-D234 WeakPolarHBondContact CG-OD1 3.32Å; T198-D234 HydrophobicContact CG2-CB 3.84Å; D234-A236 VanDerWaalsContact C-N 3.28Å; D234-A236 PolarHBondContact O-N 3.26Å; D234-A237 WeakPolarHBondContact O-CB 3.27Å; D234-A237 PolarHBondContact O-N 3.26Å; D234-A237 VanDerWaalsContact O-N 3.16Å
235	R	95.2	Very high	95.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-60.8	-31.7	-174.2	-168.6	63	-81.1	165.7	-2.7	114.3	A237 D238 L444 V539 G540 G541 E546 F576	R235-A237 PolarHBondContact O-N 2.96Å; R235-D238 PolarHBondContact NE-O 3.24Å; R235-D238 PolarHBondContact NH2-O 3.4Å; R235-D238 CarbonylContact O-C 3.5Å; R235-D238 PolarHBondContact O-N 3Å; R235-L444 HydrophobicContact CB-CD1 4.43Å; R235-L444 HydrophobicContact CG-CD1 4.18Å; R235-V539 WeakPolarHBondContact CB-O 3.45Å; R235-V539 PolarHBondContact N-O 2.81Å; R235-G540 WeakPolarHBondContact CD-O 3.43Å; R235-G540 WeakPolarHBondContact CG-O 3.41Å; R235-G541 WeakPolarHBondContact CD-O 3.42Å; R235-G541 PolarHBondContact NH1-O 2.93Å; R235-E546 IonicContact CZ-OE1 3.67Å; R235-E546 IonicContact CZ-OE2 3.75Å; R235-E546 IonicContact NH1-OE1 3.58Å; R235-E546 PolarHBondContact NH1-OE1 3.47Å; R235-E546 IonicContact NH1-OE2 3.82Å; R235-E546 PolarHBondContact NH1-OE2 3.39Å; R235-E546 IonicContact NH2-OE1 3.21Å; R235-E546 PolarHBondContact NH2-OE1 3.03Å; R235-E546 IonicContact NH2-OE2 3.58Å; R235-F576 HydrophobicContact CG-CE2 3.75Å; R235-F576 HydrophobicContact CG-CZ 4.37Å
236	A	92.9	Very high	96.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.008	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-73.2	-10.3	-179	0	0	0	0	0	114.4	D234 D238 P239 L444	D234-A236 VanDerWaalsContact C-N 3.28Å; D234-A236 PolarHBondContact O-N 3.26Å; A236-D238 VanDerWaalsContact C-N 3.28Å; A236-D238 PolarHBondContact O-N 3.21Å; A236-P239 WeakPolarHBondContact O-CD 3.36Å; A236-L444 HydrophobicContact CB-CB 4.21Å; A236-L444 WeakPolarHBondContact CB-O 3.41Å
237	A	92.8	Very high	96.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-68.2	-30.3	174	0	0	0	0	0	112.5	R192 M233 D234 R235 L460	R192-A237 VanDerWaalsContact CD-CB 3.49Å; M233-A237 HydrophobicContact CE-CB 3.32Å; M233-A237 HydrophobicContact CG-CB 3.86Å; M233-A237 HydrophobicContact SD-CB 4.36Å; D234-A237 WeakPolarHBondContact O-CB 3.27Å; D234-A237 PolarHBondContact O-N 3.26Å; D234-A237 VanDerWaalsContact O-N 3.16Å; R235-A237 PolarHBondContact O-N 2.96Å; A237-L460 HydrophobicContact CB-CD1 4.23Å; A237-L460 HydrophobicContact CB-CG 4.48Å; A237-L460 PolarHBondContact O-N 3.34Å
238	D	95.8	Very high	97	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.			trans	-141	84	170.7	-175	-1.4	0	0	0	110.6	M233 R235 A236 V240 S241 P242 I478	M233-D238 HydrophobicContact CE-CB 3.96Å; R235-D238 PolarHBondContact NE-O 3.24Å; R235-D238 PolarHBondContact NH2-O 3.4Å; R235-D238 CarbonylContact O-C 3.5Å; R235-D238 PolarHBondContact O-N 3Å; A236-D238 VanDerWaalsContact C-N 3.28Å; A236-D238 PolarHBondContact O-N 3.21Å; D238-V240 VanDerWaalsContact C-N 3.26Å; D238-V240 PolarHBondContact OD1-N 3.11Å; D238-V240 VanDerWaalsContact OD1-N 3.14Å; D238-S241 VanDerWaalsContact CG-OG 3.27Å; D238-S241 PolarHBondContact OD1-N 3.32Å; D238-S241 VanDerWaalsContact OD1-N 3.08Å; D238-S241 PolarHBondContact OD1-OG 2.64Å; D238-S241 WeakPolarHBondContact OD2-CB 3.32Å; D238-S241 PolarHBondContact OD2-OG 3.35Å; D238-P242 WeakPolarHBondContact O-CD 3.23Å; D238-I478 HydrophobicContact CB-CB 4.16Å; D238-I478 HydrophobicContact CB-CD1 3.92Å; D238-I478 HydrophobicContact CB-CG1 4.31Å; D238-I478 PolarHBondContact OD2-N 3.08Å; D238-I478 VanDerWaalsContact OD2-N 3.13Å
239	P	95.7	Very high	97.1	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.013	2%	0.02	C	C	.	.	S	Bend	trans	-82.9	-3.2	176	33.4	-33.3	0	0	0	112.6	A236 L243 L412 L441	A236-P239 WeakPolarHBondContact O-CD 3.36Å; P239-L243 VanDerWaalsContact O-CD1 3.24Å; P239-L243 WeakPolarHBondContact O-CD1 3.34Å; P239-L243 WeakPolarHBondContact O-CG 3.45Å; P239-L412 HydrophobicContact CB-CD1 4.04Å; P239-L412 HydrophobicContact CB-CD2 4.31Å; P239-L412 HydrophobicContact CG-CD1 3.8Å; P239-L412 HydrophobicContact CG-CD2 3.52Å; P239-L412 HydrophobicContact CG-CG 4.3Å; P239-L441 HydrophobicContact CB-CD1 4.25Å
240	V	97.4	Very high	97.2	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.006	2%	0.017	C	C	.	.	S	Bend	trans	-81.7	-49	-177.8	172.2	0	0	0	0	110.2	D238 P242 L243 L244 A372 L409 L412 W475	D238-V240 VanDerWaalsContact C-N 3.26Å; D238-V240 PolarHBondContact OD1-N 3.11Å; D238-V240 VanDerWaalsContact OD1-N 3.14Å; V240-P242 VanDerWaalsContact C-CD 3.5Å; V240-L243 PolarHBondContact O-N 3.33Å; V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.14Å; V240-L244 PolarHBondContact O-N 2.72Å; V240-A372 HydrophobicContact CG1-CB 3.86Å; V240-L409 HydrophobicContact CB-CD2 4.32Å; V240-L409 HydrophobicContact CG1-CD2 3.75Å; V240-L409 HydrophobicContact CG2-CD2 4.33Å; V240-L412 HydrophobicContact CG2-CB 4.5Å; V240-L412 HydrophobicContact CG2-CD1 3.96Å; V240-W475 HydrophobicContact CB-CH2 3.95Å; V240-W475 HydrophobicContact CB-CZ2 3.71Å; V240-W475 HydrophobicContact CG1-CD2 4.03Å; V240-W475 HydrophobicContact CG1-CE3 4.2Å; V240-W475 HydrophobicContact CG1-CH2 3.76Å; V240-W475 HydrophobicContact CG1-CZ2 3.56Å; V240-W475 HydrophobicContact CG1-CZ3 4.07Å; V240-W475 HydrophobicContact CG2-CH2 4.35Å
241	S	98.1	Very high	97.2	Very high	2 Å²	2	3.6 Å²	3.6	1%	0.014	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.3	-176.2	-65.3	0	0	0	0	114.9	D238 L243 W475 P477	D238-S241 VanDerWaalsContact CG-OG 3.27Å; D238-S241 PolarHBondContact OD1-N 3.32Å; D238-S241 VanDerWaalsContact OD1-N 3.08Å; D238-S241 PolarHBondContact OD1-OG 2.64Å; D238-S241 WeakPolarHBondContact OD2-CB 3.32Å; D238-S241 PolarHBondContact OD2-OG 3.35Å; S241-L243 VanDerWaalsContact C-N 3.26Å; S241-L243 PolarHBondContact O-N 3.29Å; S241-W475 PolarHBondContact OG-NE1 3.13Å; S241-P477 WeakPolarHBondContact OG-CA 3.4Å; S241-P477 WeakPolarHBondContact OG-CB 3.38Å
242	P	98.3	Very high	97.2	Very high	3 Å²	3	3.5 Å²	3.5	2%	0.019	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.7	176.9	-19	33.2	0	0	0	115.1	D238 V240 A543 L571 P573 F576	D238-P242 WeakPolarHBondContact O-CD 3.23Å; V240-P242 VanDerWaalsContact C-CD 3.5Å; P242-A543 HydrophobicContact CB-CB 4.36Å; P242-A543 HydrophobicContact CG-CB 4.37Å; P242-L571 HydrophobicContact CB-CD1 4.17Å; P242-L571 HydrophobicContact CG-CD1 4.35Å; P242-P573 VanDerWaalsContact O-CA 3.28Å; P242-P573 WeakPolarHBondContact O-CA 3.19Å; P242-P573 WeakPolarHBondContact O-CB 3.4Å; P242-P573 WeakPolarHBondContact O-CG 3.14Å; P242-F576 HydrophobicContact CB-CB 4.32Å; P242-F576 HydrophobicContact CB-CD1 3.87Å; P242-F576 HydrophobicContact CB-CD2 4.35Å; P242-F576 HydrophobicContact CB-CE1 4.26Å; P242-F576 HydrophobicContact CB-CG 3.91Å
243	L	98.5	Very high	97.2	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-24	-176.2	-67.6	172.5	0	0	0	113.5	P239 V240 S241 R405 L408 L409 L412 F576 L577	P239-L243 VanDerWaalsContact O-CD1 3.24Å; P239-L243 WeakPolarHBondContact O-CD1 3.34Å; P239-L243 WeakPolarHBondContact O-CG 3.45Å; V240-L243 PolarHBondContact O-N 3.33Å; S241-L243 VanDerWaalsContact C-N 3.26Å; S241-L243 PolarHBondContact O-N 3.29Å; L243-R405 HydrophobicContact CD2-CG 4.34Å; L243-R405 PolarHBondContact O-NE 2.64Å; L243-R405 PolarHBondContact O-NH2 3.32Å; L243-R405 VanDerWaalsContact O-NH2 3.11Å; L243-L408 HydrophobicContact CD1-CB 3.68Å; L243-L408 HydrophobicContact CD1-CD1 4.17Å; L243-L408 HydrophobicContact CD2-CD1 3.87Å; L243-L409 HydrophobicContact CB-CD2 4.32Å; L243-L409 HydrophobicContact CB-CG 4.47Å; L243-L409 HydrophobicContact CD1-CD2 4.36Å; L243-L409 HydrophobicContact CD1-CG 4.47Å; L243-L412 HydrophobicContact CD1-CD1 4.02Å; L243-F576 HydrophobicContact CD2-CD1 3.75Å; L243-F576 HydrophobicContact CD2-CE1 3.86Å; L243-F576 HydrophobicContact CG-CD1 4.24Å; L243-F576 HydrophobicContact CG-CE1 4.08Å; L243-L577 HydrophobicContact CD2-CD2 3.78Å
244	L	98.5	Very high	97.3	Very high	3 Å²	3	4.4 Å²	4.4	2%	0.016	2%	0.024	C	C	.	.	S	Bend	trans	-73.7	143	-170.8	-71.3	171.7	0	0	0	112.7	V240 E246 E368 A372 R405 L409 W475	V240-L244 HydrophobicContact CG1-CD1 3.79Å; V240-L244 HydrophobicContact CG1-CG 4.14Å; V240-L244 PolarHBondContact O-N 2.72Å; L244-E246 PolarHBondContact O-N 3.14Å; L244-E368 HydrophobicContact CD2-CB 3.81Å; L244-A372 HydrophobicContact CD1-CB 4.18Å; L244-A372 HydrophobicContact CD2-CB 4.03Å; L244-R405 VanDerWaalsContact C-NH2 3.26Å; L244-R405 PolarHBondContact O-NH2 3.35Å; L244-L409 HydrophobicContact CD2-CD1 3.76Å; L244-L409 HydrophobicContact CD2-CD2 4.12Å; L244-W475 HydrophobicContact CD1-CB 3.63Å; L244-W475 HydrophobicContact CD1-CD2 3.87Å; L244-W475 HydrophobicContact CD1-CG 3.27Å
245	H	98.6	Very high	97.4	Very high	4 Å²	4	5 Å²	5	2%	0.019	3%	0.027	C	C	.	.			trans	-71.6	104.4	164.3	-76.7	97.7	0	0	0	109.3	D255 C365 E368 D402 R405	H245-D255 IonicContact CD2-OD2 2.74Å; H245-D255 PolarHBondContact CD2-OD2 3.16Å; H245-D255 IonicContact CG-OD2 3.88Å; H245-D255 IonicContact NE2-OD2 3.48Å; H245-C365 VanDerWaalsContact CB-SG 3.54Å; H245-E368 WeakPolarHBondContact CB-OE2 3.37Å; H245-E368 IonicContact CE1-OE1 3.03Å; H245-E368 PolarHBondContact CE1-OE1 2.96Å; H245-E368 IonicContact CG-OE1 3.66Å; H245-E368 IonicContact CG-OE2 3.91Å; H245-E368 PolarHBondContact N-OE2 2.89Å; H245-E368 VanDerWaalsContact ND1-CD 3.31Å; H245-E368 IonicContact ND1-OE1 2.77Å; H245-E368 PolarHBondContact ND1-OE1 3.17Å; H245-E368 IonicContact ND1-OE2 2.74Å; H245-E368 PolarHBondContact ND1-OE2 2.98Å; H245-D402 IonicContact CE1-OD1 3.39Å; H245-D402 PolarHBondContact CE1-OD1 3.05Å; H245-D402 IonicContact NE2-OD1 3.64Å; H245-R405 PolarHBondContact CD2-NH2 2.91Å; H245-R405 VanDerWaalsContact CD2-NH2 3.35Å; H245-R405 PolarHBondContact CE1-NH1 3.36Å; H245-R405 PolarHBondContact CE1-NH2 3.18Å; H245-R405 VanDerWaalsContact N-NH2 3.13Å; H245-R405 VanDerWaalsContact ND1-CZ 3.29Å; H245-R405 PolarHBondContact ND1-NH2 3.18Å; H245-R405 PolarHBondContact NE2-NH1 2.84Å
246	E	98.2	Very high	97.6	Very high	20 Å²	20	6.1 Å²	6.1	9%	0.093	3%	0.033	C	C	.	.			trans	-86.1	141.2	178	-72.4	-80.2	161	0	0	111.2	L244 A251 M252 S545 R548	L244-E246 PolarHBondContact O-N 3.14Å; E246-A251 HydrophobicContact CB-CB 3.53Å; E246-A251 HydrophobicContact CG-CB 4.23Å; E246-M252 WeakPolarHBondContact O-CA 3.42Å; E246-M252 WeakPolarHBondContact O-CB 3.33Å; E246-S545 VanDerWaalsContact OE1-CB 3.26Å; E246-S545 WeakPolarHBondContact OE1-CB 3.35Å; E246-R548 IonicContact OE2-CZ 3.91Å; E246-R548 IonicContact OE2-NH1 3.19Å; E246-R548 PolarHBondContact OE2-NH1 3.15Å; E246-R548 IonicContact OE2-NH2 3.57Å; E246-R548 PolarHBondContact OE2-NH2 2.86Å; E246-R548 VanDerWaalsContact OE2-NH2 3.1Å
247	L	98.4	Very high	97.8	Very high	6 Å²	6	6.9 Å²	6.9	3%	0.031	4%	0.037	C	C	.	.			trans	-108.5	17.4	-177.2	-57.3	-178.2	0	0	0	113.4	M252 I296 F357 L472	L247-M252 HydrophobicContact CD2-CE 3.99Å; L247-M252 HydrophobicContact CD2-SD 4.11Å; L247-I296 HydrophobicContact CB-CG2 4.22Å; L247-I296 PolarHBondContact O-N 3.13Å; L247-F357 HydrophobicContact CD1-CE2 4.02Å; L247-F357 HydrophobicContact CD1-CZ 4.35Å; L247-F357 HydrophobicContact CD2-CD2 3.77Å; L247-F357 HydrophobicContact CD2-CE2 3.63Å; L247-L472 HydrophobicContact CD1-CB 3.68Å; L247-L472 HydrophobicContact CD1-CD1 4.43Å
248	T	98.4	Very high	97.9	Very high	14 Å²	14	13.3 Å²	13.3	9%	0.086	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-89.2	144.4	167	60.4	0	0	0	0	110.7	Q250 A251 M252 M294 R548	T248-Q250 PolarHBondContact O-N 2.89Å; T248-A251 PolarHBondContact O-N 3.5Å; T248-A251 VanDerWaalsContact O-N 3.15Å; T248-M252 VanDerWaalsContact O-CB 3.28Å; T248-M252 WeakPolarHBondContact O-CB 3.29Å; T248-M252 PolarHBondContact O-N 2.97Å; T248-M294 CarbonylContact C-O 3.45Å; T248-M294 VanDerWaalsContact CA-O 3.25Å; T248-M294 WeakPolarHBondContact CA-O 3.34Å; T248-R548 VanDerWaalsContact CG2-NH1 3.33Å; T248-R548 PolarHBondContact OG1-NH1 3.34Å
249	F	98.6	Very high	97.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-50.6	-51.8	-160.6	-167.7	-142.6	0	0	0	115.1	A253 W288 L291 M294 I296 V299 H346 L349 A350	F249-A253 WeakPolarHBondContact O-CB 3.17Å; F249-A253 PolarHBondContact O-N 3.01Å; F249-W288 HydrophobicContact CD1-CE3 4.26Å; F249-W288 AromaticContact CD1-CZ3 3.96Å; F249-W288 HydrophobicContact CD1-CZ3 3.96Å; F249-W288 HydrophobicContact CE1-CE3 4.1Å; F249-W288 AromaticContact CE1-CZ3 3.95Å; F249-W288 HydrophobicContact CE1-CZ3 3.95Å; F249-L291 WeakPolarHBondContact CB-O 3.29Å; F249-L291 HydrophobicContact CD1-CB 3.72Å; F249-L291 HydrophobicContact CE1-CB 4.02Å; F249-L291 HydrophobicContact CE1-CD1 4.4Å; F249-M294 PolarHBondContact N-O 2.92Å; F249-I296 HydrophobicContact CD2-CD1 4.05Å; F249-I296 HydrophobicContact CE2-CD1 4.44Å; F249-V299 HydrophobicContact CB-CG2 3.83Å; F249-V299 HydrophobicContact CD1-CG1 4.25Å; F249-V299 HydrophobicContact CD1-CG2 4.45Å; F249-V299 HydrophobicContact CD2-CG1 4.06Å; F249-V299 HydrophobicContact CD2-CG2 4.1Å; F249-V299 HydrophobicContact CE1-CG1 4.16Å; F249-V299 HydrophobicContact CE2-CG1 3.97Å; F249-V299 HydrophobicContact CG-CG1 4.2Å; F249-V299 HydrophobicContact CG-CG2 3.89Å; F249-V299 HydrophobicContact CZ-CG1 4Å; F249-H346 AromaticContact CE1-ND1 3.77Å; F249-L349 HydrophobicContact CE1-CD2 4.07Å; F249-L349 HydrophobicContact CE2-CB 4.31Å; F249-L349 HydrophobicContact CE2-CD2 4.04Å; F249-L349 HydrophobicContact CE2-CG 3.82Å; F249-L349 HydrophobicContact CZ-CB 3.99Å; F249-L349 HydrophobicContact CZ-CD2 3.54Å; F249-L349 HydrophobicContact CZ-CG 3.7Å; F249-A350 HydrophobicContact CE2-CB 4.01Å; F249-A350 HydrophobicContact CZ-CB 4.47Å
250	Q	98.6	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-66.1	-53.1	178.9	171.2	-177.9	36.2	0	0	112.2	E141 T248 M252 A253 Y254 W288 R292 H293 M544	E141-Q250 PolarHBondContact OE1-NE2 2.88Å; T248-Q250 PolarHBondContact O-N 2.89Å; Q250-M252 VanDerWaalsContact C-N 3.27Å; Q250-M252 PolarHBondContact O-N 3.22Å; Q250-A253 PolarHBondContact O-N 2.87Å; Q250-Y254 HydrophobicContact CG-CD2 4.18Å; Q250-Y254 HydrophobicContact CG-CE2 4.2Å; Q250-Y254 VanDerWaalsContact O-CD2 3.29Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.5Å; Q250-Y254 PolarHBondContact O-N 3.39Å; Q250-Y254 VanDerWaalsContact O-N 3.08Å; Q250-W288 HydrophobicContact CB-CH2 3.72Å; Q250-W288 HydrophobicContact CB-CZ2 3.81Å; Q250-W288 HydrophobicContact CG-CH2 4.01Å; Q250-W288 HydrophobicContact CG-CZ2 3.72Å; Q250-R292 HydrophobicContact CB-CB 3.83Å; Q250-R292 VanDerWaalsContact CB-O 3.31Å; Q250-R292 WeakPolarHBondContact CB-O 3.43Å; Q250-R292 PolarHBondContact N-O 3.36Å; Q250-H293 PolarHBondContact OE1-CE1 2.92Å; Q250-M544 HydrophobicContact CG-CE 4.45Å; Q250-M544 HydrophobicContact CG-SD 3.67Å
251	A	98.5	Very high	97.4	Very high	9 Å²	9	29.7 Å²	29.7	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-41.6	-179	0	0	0	0	0	111.9	E246 T248 D255 M544	E246-A251 HydrophobicContact CB-CB 3.53Å; E246-A251 HydrophobicContact CG-CB 4.23Å; T248-A251 PolarHBondContact O-N 3.5Å; T248-A251 VanDerWaalsContact O-N 3.15Å; A251-D255 WeakPolarHBondContact O-CB 3.34Å; A251-D255 PolarHBondContact O-N 2.88Å; A251-D255 VanDerWaalsContact O-N 3.16Å; A251-M544 HydrophobicContact CB-CB 3.71Å
252	M	98.6	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67	-43.6	178	-169.3	-179.1	-176.8	0	0	112.4	E246 L247 T248 Q250 D255 L256 I296 C353 F357	E246-M252 WeakPolarHBondContact O-CA 3.42Å; E246-M252 WeakPolarHBondContact O-CB 3.33Å; L247-M252 HydrophobicContact CD2-CE 3.99Å; L247-M252 HydrophobicContact CD2-SD 4.11Å; T248-M252 VanDerWaalsContact O-CB 3.28Å; T248-M252 WeakPolarHBondContact O-CB 3.29Å; T248-M252 PolarHBondContact O-N 2.97Å; Q250-M252 VanDerWaalsContact C-N 3.27Å; Q250-M252 PolarHBondContact O-N 3.22Å; M252-D255 PolarHBondContact O-N 2.73Å; M252-L256 HydrophobicContact CE-CD1 3.66Å; M252-L256 HydrophobicContact CG-CD1 3.75Å; M252-L256 HydrophobicContact CG-CG 4.33Å; M252-L256 WeakPolarHBondContact O-CB 3.35Å; M252-L256 WeakPolarHBondContact O-CG 3.49Å; M252-L256 PolarHBondContact O-N 3.28Å; M252-I296 HydrophobicContact CE-CG1 4.32Å; M252-I296 HydrophobicContact CE-CG2 4.35Å; M252-I296 HydrophobicContact SD-CB 3.63Å; M252-I296 HydrophobicContact SD-CD1 4.22Å; M252-I296 HydrophobicContact SD-CG1 3.68Å; M252-I296 HydrophobicContact SD-CG2 3.76Å; M252-C353 HydrophobicContact CE-CB 4.05Å; M252-C353 HydrophobicContact CG-CB 4.39Å; M252-C353 HydrophobicContact SD-CB 4.04Å; M252-F357 HydrophobicContact CE-CB 3.47Å; M252-F357 VanDerWaalsContact CE-CB 3.47Å; M252-F357 HydrophobicContact CE-CD2 3.9Å; M252-F357 HydrophobicContact CE-CG 3.82Å
253	A	98.5	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-45	-179	0	0	0	0	0	111.8	F249 Q250 D255 L257 I259 L349	F249-A253 WeakPolarHBondContact O-CB 3.17Å; F249-A253 PolarHBondContact O-N 3.01Å; Q250-A253 PolarHBondContact O-N 2.87Å; A253-D255 VanDerWaalsContact C-N 3.35Å; A253-L257 HydrophobicContact CB-CD1 4.49Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.36Å; A253-L257 PolarHBondContact O-N 3.43Å; A253-I259 HydrophobicContact CB-CD1 3.92Å; A253-L349 HydrophobicContact CB-CD1 4.09Å; A253-L349 HydrophobicContact CB-CG 4.47Å
254	Y	98.5	Very high	97	Very high	19 Å²	19	33.6 Å²	33.6	8%	0.075	17%	0.169	C	C	.	.	H	α-helix	trans	-76.2	-19.6	-179.3	-79.3	-105.9	0	0	0	113.8	Q250 I259 D262 L281 W288 M544 T572	Q250-Y254 HydrophobicContact CG-CD2 4.18Å; Q250-Y254 HydrophobicContact CG-CE2 4.2Å; Q250-Y254 VanDerWaalsContact O-CD2 3.29Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.5Å; Q250-Y254 PolarHBondContact O-N 3.39Å; Q250-Y254 VanDerWaalsContact O-N 3.08Å; Y254-I259 HydrophobicContact CD1-CB 4.2Å; Y254-I259 HydrophobicContact CD1-CG2 4.01Å; Y254-I259 HydrophobicContact CD2-CD1 4.08Å; Y254-I259 HydrophobicContact CE1-CB 4.31Å; Y254-I259 HydrophobicContact CE1-CG2 3.61Å; Y254-I259 HydrophobicContact CE2-CD1 4.27Å; Y254-I259 HydrophobicContact CE2-CG2 4.38Å; Y254-I259 HydrophobicContact CG-CD1 4.36Å; Y254-D262 WeakPolarHBondContact CE1-OD1 3.41Å; Y254-D262 WeakPolarHBondContact OH-CA 3.32Å; Y254-D262 WeakPolarHBondContact OH-CB 3.49Å; Y254-D262 PolarHBondContact OH-OD1 3.23Å; Y254-L281 HydrophobicContact CE2-CD1 4.19Å; Y254-W288 AromaticContact CE2-CH2 3.96Å; Y254-W288 HydrophobicContact CE2-CH2 3.96Å; Y254-W288 AromaticContact CE2-CZ2 3.94Å; Y254-W288 HydrophobicContact CE2-CZ2 3.94Å; Y254-M544 HydrophobicContact CD1-CE 3.44Å; Y254-M544 VanDerWaalsContact CD1-CE 3.44Å; Y254-M544 HydrophobicContact CD2-CE 3.77Å; Y254-M544 HydrophobicContact CD2-SD 3.97Å; Y254-M544 HydrophobicContact CE1-CE 3.92Å; Y254-M544 HydrophobicContact CE2-CE 4.23Å; Y254-M544 HydrophobicContact CG-CE 3.34Å; Y254-M544 HydrophobicContact CG-SD 3.83Å; Y254-T572 WeakPolarHBondContact O-CG2 3.04Å
255	D	98.4	Very high	96.9	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-81.3	-45.5	172.6	-173.1	23.3	0	0	0	111.5	H245 A251 M252 A253 R405 P573	H245-D255 IonicContact CD2-OD2 2.74Å; H245-D255 PolarHBondContact CD2-OD2 3.16Å; H245-D255 IonicContact CG-OD2 3.88Å; H245-D255 IonicContact NE2-OD2 3.48Å; A251-D255 WeakPolarHBondContact O-CB 3.34Å; A251-D255 PolarHBondContact O-N 2.88Å; A251-D255 VanDerWaalsContact O-N 3.16Å; M252-D255 PolarHBondContact O-N 2.73Å; A253-D255 VanDerWaalsContact C-N 3.35Å; D255-R405 IonicContact OD1-CZ 3.14Å; D255-R405 IonicContact OD1-NH1 3.47Å; D255-R405 PolarHBondContact OD1-NH1 2.81Å; D255-R405 IonicContact OD1-NH2 3.14Å; D255-R405 IonicContact OD2-CZ 3.56Å; D255-R405 IonicContact OD2-NH1 3.72Å; D255-R405 PolarHBondContact OD2-NH1 3.18Å; D255-R405 IonicContact OD2-NH2 2.73Å; D255-R405 PolarHBondContact OD2-NH2 3.16Å; D255-P573 HydrophobicContact CB-CG 4.39Å; D255-P573 WeakPolarHBondContact OD1-CG 3.32Å
256	L	97.6	Very high	96.5	Very high	22 Å²	22	40.7 Å²	40.7	12%	0.115	20%	0.195	C	C	.	.	H	α-helix	trans	-94	-19.2	-169.2	-60.7	-174.1	0	0	0	115.2	M252 R356 F357 V361	M252-L256 HydrophobicContact CE-CD1 3.66Å; M252-L256 HydrophobicContact CG-CD1 3.75Å; M252-L256 HydrophobicContact CG-CG 4.33Å; M252-L256 WeakPolarHBondContact O-CB 3.35Å; M252-L256 WeakPolarHBondContact O-CG 3.49Å; M252-L256 PolarHBondContact O-N 3.28Å; L256-R356 HydrophobicContact CB-CB 4.04Å; L256-R356 HydrophobicContact CD1-CB 4.19Å; L256-F357 HydrophobicContact CD1-CB 4.49Å; L256-V361 HydrophobicContact CD1-CG1 4.39Å; L256-V361 HydrophobicContact CD2-CG1 4.11Å; L256-V361 HydrophobicContact CD2-CG2 3.98Å
257	L	97.3	Very high	95.9	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.089	22%	0.22	C	C	.	.	S	Bend	trans	-119.3	153.8	-175	-50.3	175.7	0	0	0	110.9	A253 I259 Y264 L349 D352 R356	A253-L257 HydrophobicContact CB-CD1 4.49Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.36Å; A253-L257 PolarHBondContact O-N 3.43Å; L257-I259 VanDerWaalsContact C-N 3.31Å; L257-I259 HydrophobicContact CB-CD1 4.47Å; L257-I259 HydrophobicContact CB-CG1 4.24Å; L257-I259 PolarHBondContact O-N 3.4Å; L257-Y264 HydrophobicContact CD1-CE2 4.22Å; L257-L349 HydrophobicContact CD1-CD1 3.47Å; L257-L349 VanDerWaalsContact CD1-CD1 3.47Å; L257-D352 HydrophobicContact CD1-CB 4.11Å; L257-D352 HydrophobicContact CD2-CB 3.98Å; L257-R356 HydrophobicContact CD2-CG 3.74Å
258	D	95	Very high	94.9	Very high	135 Å²	135	47.5 Å²	47.5	72%	0.722	23%	0.23	S	C	*	.			trans	-79.2	80.5	178.7	-56.7	-48	0	0	0	109.9
259	I	96.8	Very high	93.3	Very high	22 Å²	22	52.9 Å²	52.9	11%	0.113	26%	0.263	C	S	.	.			trans	-104.6	108.2	176.1	-58.9	176.3	0	0	0	108.8	A253 Y254 L257 Y264 L281 L349	A253-I259 HydrophobicContact CB-CD1 3.92Å; Y254-I259 HydrophobicContact CD1-CB 4.2Å; Y254-I259 HydrophobicContact CD1-CG2 4.01Å; Y254-I259 HydrophobicContact CD2-CD1 4.08Å; Y254-I259 HydrophobicContact CE1-CB 4.31Å; Y254-I259 HydrophobicContact CE1-CG2 3.61Å; Y254-I259 HydrophobicContact CE2-CD1 4.27Å; Y254-I259 HydrophobicContact CE2-CG2 4.38Å; Y254-I259 HydrophobicContact CG-CD1 4.36Å; L257-I259 VanDerWaalsContact C-N 3.31Å; L257-I259 HydrophobicContact CB-CD1 4.47Å; L257-I259 HydrophobicContact CB-CG1 4.24Å; L257-I259 PolarHBondContact O-N 3.4Å; I259-Y264 HydrophobicContact CG1-CD2 4.38Å; I259-L281 HydrophobicContact CD1-CD1 3.91Å; I259-L349 HydrophobicContact CD1-CD1 4.48Å
260	E	91.9	Very high	91.4	Very high	150 Å²	150	55.1 Å²	55.1	70%	0.701	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-109.1	134	178.8	-63.5	-177.8	171	0	0	110	D262 T263	E260-D262 PolarHBondContact O-N 3.3Å; E260-T263 VanDerWaalsContact O-CB 3.31Å; E260-T263 WeakPolarHBondContact O-CB 3.3Å; E260-T263 PolarHBondContact O-N 3.09Å
261	Q	89.9	Confident	89.2	Confident	176 Å²	176	62 Å²	62	82%	0.822	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44	-179.8	-57.2	178	-20.2	0	0	112.3	T263	Q261-T263 PolarHBondContact O-N 3.02Å; Q261-T263 PolarHBondContact O-OG1 3.03Å
262	D	95	Very high	87	Confident	47 Å²	47	66.9 Å²	66.9	25%	0.251	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	16	-177.2	-46.9	-50.4	0	0	0	114.1	Y140 Y254 E260 L280 L281	Y140-D262 WeakPolarHBondContact CE2-OD2 3.34Å; Y140-D262 PolarHBondContact OH-OD1 3.32Å; Y254-D262 WeakPolarHBondContact CE1-OD1 3.41Å; Y254-D262 WeakPolarHBondContact OH-CA 3.32Å; Y254-D262 WeakPolarHBondContact OH-CB 3.49Å; Y254-D262 PolarHBondContact OH-OD1 3.23Å; E260-D262 PolarHBondContact O-N 3.3Å; D262-L280 HydrophobicContact CB-CD1 3.97Å; D262-L281 PolarHBondContact O-N 3.17Å
263	T	96.3	Very high	85.2	Confident	32 Å²	32	73.4 Å²	73.4	20%	0.196	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.7	-176.7	-59.2	0	0	0	0	110.7	E260 Q261 A278 V279	E260-T263 VanDerWaalsContact O-CB 3.31Å; E260-T263 WeakPolarHBondContact O-CB 3.3Å; E260-T263 PolarHBondContact O-N 3.09Å; Q261-T263 PolarHBondContact O-N 3.02Å; Q261-T263 PolarHBondContact O-OG1 3.03Å; T263-A278 HydrophobicContact CG2-CB 3.9Å; T263-V279 CarbonylContact C-O 3.35Å; T263-V279 WeakPolarHBondContact CA-O 3.36Å
264	Y	96.6	Very high	83.8	Confident	7 Å²	7	76.5 Å²	76.5	3%	0.027	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.1	174	172.1	-124.3	0	0	0	111	L257 I259 Y266 A278 V279 T345 H348 L349 D352	L257-Y264 HydrophobicContact CD1-CE2 4.22Å; I259-Y264 HydrophobicContact CG1-CD2 4.38Å; Y264-Y266 AromaticContact CD1-CD1 3.74Å; Y264-Y266 HydrophobicContact CD1-CD1 3.74Å; Y264-Y266 HydrophobicContact CD1-CE1 4.3Å; Y264-Y266 HydrophobicContact CD1-CG 4.49Å; Y264-Y266 AromaticContact CE1-CD1 3.41Å; Y264-Y266 HydrophobicContact CE1-CD1 3.41Å; Y264-Y266 VanDerWaalsContact CE1-CD1 3.41Å; Y264-Y266 HydrophobicContact CE1-CE1 4.1Å; Y264-Y266 AromaticContact CE1-CG 3.76Å; Y264-Y266 HydrophobicContact CE1-CG 3.76Å; Y264-A278 CarbonylContact O-C 3.53Å; Y264-A278 WeakPolarHBondContact O-CA 3.41Å; Y264-V279 PolarHBondContact N-O 3.02Å; Y264-V279 PolarHBondContact O-N 2.78Å; Y264-T345 HydrophobicContact CD1-CG2 4.12Å; Y264-T345 HydrophobicContact CE1-CG2 4.43Å; Y264-H348 AromaticContact CZ-ND1 3.98Å; Y264-H348 PolarHBondContact OH-ND1 2.97Å; Y264-L349 HydrophobicContact CD1-CB 4.44Å; Y264-L349 HydrophobicContact CD1-CD1 4.1Å; Y264-L349 HydrophobicContact CD2-CD1 3.91Å; Y264-L349 HydrophobicContact CE1-CB 3.92Å; Y264-L349 HydrophobicContact CE1-CD1 3.98Å; Y264-L349 HydrophobicContact CE2-CD1 3.81Å; Y264-L349 HydrophobicContact CG-CD1 4.05Å; Y264-D352 PolarHBondContact OH-OD2 3.02Å
265	R	94.4	Very high	82.9	Confident	147 Å²	147	83.9 Å²	83.9	56%	0.555	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.6	179.2	-65.9	172.9	-178.8	-82.7	-5	110.2	E276 K277 A278	R265-E276 WeakPolarHBondContact CD-OE1 3.49Å; R265-E276 IonicContact NH1-OE1 3.42Å; R265-E276 PolarHBondContact NH1-OE1 3.07Å; R265-K277 WeakPolarHBondContact CA-O 3.41Å; R265-A278 HydrophobicContact CG-CB 4.22Å
266	Y	90.9	Very high	82.4	Confident	9 Å²	9	88.9 Å²	88.9	4%	0.035	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.9	177.3	73.2	-76.5	0	0	0	112.4	Y264 T268 K277 V279 T345 H348	Y264-Y266 AromaticContact CD1-CD1 3.74Å; Y264-Y266 HydrophobicContact CD1-CD1 3.74Å; Y264-Y266 HydrophobicContact CD1-CE1 4.3Å; Y264-Y266 HydrophobicContact CD1-CG 4.49Å; Y264-Y266 AromaticContact CE1-CD1 3.41Å; Y264-Y266 HydrophobicContact CE1-CD1 3.41Å; Y264-Y266 VanDerWaalsContact CE1-CD1 3.41Å; Y264-Y266 HydrophobicContact CE1-CE1 4.1Å; Y264-Y266 AromaticContact CE1-CG 3.76Å; Y264-Y266 HydrophobicContact CE1-CG 3.76Å; Y266-T268 HydrophobicContact CD2-CG2 3.88Å; Y266-T268 HydrophobicContact CE2-CG2 3.28Å; Y266-K277 HydrophobicContact CD1-CB 4.38Å; Y266-K277 HydrophobicContact CE1-CB 4.06Å; Y266-K277 HydrophobicContact CE1-CD 3.95Å; Y266-K277 HydrophobicContact CE1-CG 4.15Å; Y266-K277 PolarHBondContact N-O 3.41Å; Y266-K277 PolarHBondContact O-N 3.29Å; Y266-K277 WeakPolarHBondContact OH-CD 3.23Å; Y266-K277 PolarHBondContact OH-NZ 3.4Å; Y266-V279 HydrophobicContact CE1-CG2 3.89Å; Y266-T345 HydrophobicContact CE1-CG2 4.11Å; Y266-T345 WeakPolarHBondContact OH-CA 3.46Å; Y266-T345 PolarHBondContact OH-OG1 3.11Å; Y266-H348 HydrophobicContact CD2-CB 3.87Å; Y266-H348 AromaticContact CD2-CD2 3.59Å; Y266-H348 AromaticContact CD2-CE1 3.88Å; Y266-H348 AromaticContact CD2-CG 3.37Å; Y266-H348 AromaticContact CD2-ND1 3.57Å; Y266-H348 AromaticContact CD2-NE2 3.91Å; Y266-H348 HydrophobicContact CE2-CB 3.88Å; Y266-H348 AromaticContact CE2-CG 3.86Å; Y266-H348 AromaticContact CG-ND1 3.82Å
267	E	86.1	Confident	82	Confident	129 Å²	129	90.2 Å²	90.2	60%	0.603	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.1	178.3	-71.1	-169.5	-162.9	0	0	111.6	S274	E267-S274 PolarHBondContact OE2-OG 3.21Å
268	T	76.4	Confident	81.8	Confident	40 Å²	40	92 Å²	92	25%	0.245	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	171.7	56.3	0	0	0	0	110.3	Y266 G270 R275 K277	Y266-T268 HydrophobicContact CD2-CG2 3.88Å; Y266-T268 HydrophobicContact CE2-CG2 3.28Å; T268-G270 PolarHBondContact O-N 3.49Å; T268-G270 VanDerWaalsContact O-N 3.12Å; T268-R275 PolarHBondContact N-O 3.2Å; T268-R275 PolarHBondContact O-N 3.4Å; T268-R275 VanDerWaalsContact O-N 3.11Å; T268-R275 PolarHBondContact OG1-O 3.09Å; T268-K277 HydrophobicContact CG2-CD 4.47Å
269	T	65.6	Low	81.7	Confident	128 Å²	128	86.8 Å²	86.8	79%	0.785	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	95.6	174.1	37.1	0	0	0	0	109.8
270	G	58.7	Low	81.6	Confident	46 Å²	46	89.8 Å²	89.8	47%	0.474	47%	0.469	S	S	.	.			trans	-75.7	174.5	163.9	0	0	0	0	0	112	T268 S272	T268-G270 PolarHBondContact O-N 3.49Å; T268-G270 VanDerWaalsContact O-N 3.12Å; G270-S272 PolarHBondContact O-N 2.76Å; G270-S272 VanDerWaalsContact O-N 3.12Å
271	L	51.6	Low	81.8	Confident	148 Å²	148	82.9 Å²	82.9	78%	0.775	44%	0.437	S	S	*	.	S	Bend	trans	-65.4	-11.3	-176.3	-77.7	125.2	0	0	0	115.7	K331	L271-K331 VanDerWaalsContact CD1-NZ 3.26Å
272	S	52.5	Low	82	Confident	111 Å²	111	76.4 Å²	76.4	78%	0.776	41%	0.408	S	S	*	.	S	Bend	trans	-149.5	-20.3	-175.6	57.6	0	0	0	0	115.5	G270	G270-S272 PolarHBondContact O-N 2.76Å; G270-S272 VanDerWaalsContact O-N 3.12Å
273	E	60.8	Low	81.9	Confident	137 Å²	137	76 Å²	76	64%	0.64	40%	0.404	S	S	*	.	S	Bend	trans	-144.9	141.5	177.6	-70	178.7	162.3	0	0	110.5	R275	E273-R275 PolarHBondContact O-N 2.58Å
274	S	70.7	Confident	81.7	Confident	64 Å²	64	78.1 Å²	78.1	45%	0.448	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.7	166.1	-173.2	0	0	0	0	108.2	E267	E267-S274 PolarHBondContact OE2-OG 3.21Å
275	R	79.6	Confident	81.5	Confident	174 Å²	174	78.1 Å²	78.1	66%	0.657	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.9	174.4	-69.6	-175	-179.5	-178.8	-0.5	109.2	T268 E273	T268-R275 PolarHBondContact N-O 3.2Å; T268-R275 PolarHBondContact O-N 3.4Å; T268-R275 VanDerWaalsContact O-N 3.11Å; T268-R275 PolarHBondContact OG1-O 3.09Å; E273-R275 PolarHBondContact O-N 2.58Å
276	E	86.4	Confident	81.5	Confident	126 Å²	126	77 Å²	77	59%	0.589	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	129.2	166.9	-166.9	-166.9	158.6	0	0	108.7	R265	R265-E276 WeakPolarHBondContact CD-OE1 3.49Å; R265-E276 IonicContact NH1-OE1 3.42Å; R265-E276 PolarHBondContact NH1-OE1 3.07Å
277	K	89.1	Confident	81.6	Confident	49 Å²	49	77.2 Å²	77.2	21%	0.213	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.1	176.6	-171.4	176.9	165.7	-155.3	0	108.3	R265 Y266 T268 V279 N341 T345	R265-K277 WeakPolarHBondContact CA-O 3.41Å; Y266-K277 HydrophobicContact CD1-CB 4.38Å; Y266-K277 HydrophobicContact CE1-CB 4.06Å; Y266-K277 HydrophobicContact CE1-CD 3.95Å; Y266-K277 HydrophobicContact CE1-CG 4.15Å; Y266-K277 PolarHBondContact N-O 3.41Å; Y266-K277 PolarHBondContact O-N 3.29Å; Y266-K277 WeakPolarHBondContact OH-CD 3.23Å; Y266-K277 PolarHBondContact OH-NZ 3.4Å; T268-K277 HydrophobicContact CG2-CD 4.47Å; K277-V279 HydrophobicContact CD-CG2 4.18Å; K277-V279 HydrophobicContact CG-CG2 3.94Å; K277-N341 PolarHBondContact NZ-O 3.28Å; K277-T345 PolarHBondContact NZ-OG1 3.45Å; K277-T345 VanDerWaalsContact NZ-OG1 3.13Å
278	A	93	Very high	82.2	Confident	54 Å²	54	71.2 Å²	71.2	45%	0.446	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.4	171	0	0	0	0	0	109.1	T263 Y264 R265	T263-A278 HydrophobicContact CG2-CB 3.9Å; Y264-A278 CarbonylContact O-C 3.53Å; Y264-A278 WeakPolarHBondContact O-CA 3.41Å; R265-A278 HydrophobicContact CG-CB 4.22Å
279	V	94.5	Very high	83.1	Confident	26 Å²	26	72 Å²	72	16%	0.158	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.5	-179.4	-175	0	0	0	0	109.5	T263 Y264 Y266 K277 T345	T263-V279 CarbonylContact C-O 3.35Å; T263-V279 WeakPolarHBondContact CA-O 3.36Å; Y264-V279 PolarHBondContact N-O 3.02Å; Y264-V279 PolarHBondContact O-N 2.78Å; Y266-V279 HydrophobicContact CE1-CG2 3.89Å; K277-V279 HydrophobicContact CD-CG2 4.18Å; K277-V279 HydrophobicContact CG-CG2 3.94Å; V279-T345 HydrophobicContact CB-CG2 4.14Å; V279-T345 HydrophobicContact CG1-CG2 4.04Å; V279-T345 HydrophobicContact CG2-CG2 4.13Å
280	L	94.4	Very high	84.6	Confident	85 Å²	85	70.1 Å²	70.1	45%	0.445	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.9	172.3	-174.7	66.8	0	0	0	109.5	D262 D282	D262-L280 HydrophobicContact CB-CD1 3.97Å; L280-D282 HydrophobicContact CD2-CB 4.19Å; L280-D282 HydrophobicContact CG-CB 4.11Å; L280-D282 PolarHBondContact O-N 3.14Å
281	L	95.4	Very high	86.5	Confident	6 Å²	6	68 Å²	68	3%	0.031	36%	0.358	C	S	.	.			trans	-94.4	80.3	177.6	-59.8	-179.7	0	0	0	109.8	Y254 I259 D262 W288 L349	Y254-L281 HydrophobicContact CE2-CD1 4.19Å; I259-L281 HydrophobicContact CD1-CD1 3.91Å; D262-L281 PolarHBondContact O-N 3.17Å; L281-W288 HydrophobicContact CB-CD2 4.27Å; L281-W288 HydrophobicContact CB-CH2 4.46Å; L281-W288 HydrophobicContact CB-CZ2 4.15Å; L281-W288 HydrophobicContact CD1-CH2 3.94Å; L281-W288 HydrophobicContact CD1-CZ2 4.39Å; L281-W288 HydrophobicContact CD1-CZ3 4.08Å; L281-W288 HydrophobicContact CD2-CE3 4.25Å; L281-W288 HydrophobicContact CD2-CZ3 4.44Å; L281-L349 HydrophobicContact CD1-CD2 4.12Å; L281-L349 HydrophobicContact CD2-CD2 4.24Å
282	D	93.6	Very high	88.7	Confident	39 Å²	39	61.1 Å²	61.1	21%	0.209	32%	0.322	C	S	.	.	S	Bend	trans	-125.5	-174.1	-178.3	72.8	-7.2	0	0	0	112.8	L280 D284 D285 W288	L280-D282 HydrophobicContact CD2-CB 4.19Å; L280-D282 HydrophobicContact CG-CB 4.11Å; L280-D282 PolarHBondContact O-N 3.14Å; D282-D284 PolarHBondContact O-N 3Å; D282-D284 WeakPolarHBondContact OD1-CB 3.36Å; D282-D284 PolarHBondContact OD1-N 3.34Å; D282-D284 VanDerWaalsContact OD1-N 3.11Å; D282-D285 PolarHBondContact O-N 2.84Å; D282-W288 VanDerWaalsContact O-CD1 3.31Å
283	E	93.9	Very high	90.8	Very high	38 Å²	38	56.9 Å²	56.9	18%	0.178	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.6	-179.1	-60.7	-166.6	141.8	0	0	113.3	K7 A142 V289 R292	K7-E283 HydrophobicContact CD-CB 4.34Å; K7-E283 WeakPolarHBondContact CD-OE2 3.41Å; A142-E283 VanDerWaalsContact N-CD 3.26Å; A142-E283 PolarHBondContact N-OE1 3.39Å; A142-E283 PolarHBondContact N-OE2 3.15Å; E283-V289 HydrophobicContact CB-CG2 4Å; E283-V289 HydrophobicContact CG-CG2 3.98Å; E283-R292 IonicContact OE1-CZ 3.29Å; E283-R292 IonicContact OE1-NH1 2.84Å; E283-R292 PolarHBondContact OE1-NH1 3.16Å; E283-R292 IonicContact OE1-NH2 3.09Å; E283-R292 PolarHBondContact OE1-NH2 2.95Å
284	D	90.8	Very high	92.6	Very high	77 Å²	77	52.7 Å²	52.7	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14	164.8	-75.7	-23.1	0	0	0	112	K46 D282 K342	K46-D284 VanDerWaalsContact CE-CG 3.46Å; K46-D284 WeakPolarHBondContact CE-OD1 3.32Å; K46-D284 WeakPolarHBondContact CE-OD2 3.15Å; K46-D284 IonicContact NZ-OD1 3.45Å; K46-D284 PolarHBondContact NZ-OD1 2.73Å; K46-D284 IonicContact NZ-OD2 3.83Å; K46-D284 PolarHBondContact NZ-OD2 3.45Å; D282-D284 PolarHBondContact O-N 3Å; D282-D284 WeakPolarHBondContact OD1-CB 3.36Å; D282-D284 PolarHBondContact OD1-N 3.34Å; D282-D284 VanDerWaalsContact OD1-N 3.11Å; D284-K342 PolarHBondContact O-NZ 2.79Å
285	D	93.5	Very high	93.9	Very high	8 Å²	8	51 Å²	51	4%	0.043	26%	0.255	C	S	.	.			trans	-98.1	95.1	171.5	-163.9	-7	0	0	0	112.2	D282 L287 W288 V289 K342 H346	D282-D285 PolarHBondContact O-N 2.84Å; D285-L287 PolarHBondContact O-N 3.34Å; D285-L287 VanDerWaalsContact O-N 3.11Å; D285-L287 WeakPolarHBondContact OD1-CB 3.31Å; D285-L287 PolarHBondContact OD1-N 3.19Å; D285-L287 VanDerWaalsContact OD1-N 3.08Å; D285-W288 HydrophobicContact CB-CB 3.87Å; D285-W288 WeakPolarHBondContact O-CA 3.4Å; D285-W288 VanDerWaalsContact O-CB 3.28Å; D285-W288 WeakPolarHBondContact O-CB 3.25Å; D285-W288 PolarHBondContact O-N 3.09Å; D285-V289 PolarHBondContact O-N 2.98Å; D285-V289 VanDerWaalsContact O-N 3.1Å; D285-K342 WeakPolarHBondContact OD1-CD 3.33Å; D285-K342 IonicContact OD1-NZ 3.09Å; D285-H346 IonicContact OD1-NE2 3.91Å; D285-H346 IonicContact OD2-CD2 2.94Å; D285-H346 IonicContact OD2-CE1 2.73Å; D285-H346 IonicContact OD2-NE2 3.18Å; D285-H346 PolarHBondContact OD2-NE2 3.11Å
286	D	93.3	Very high	94.8	Very high	123 Å²	123	43.1 Å²	43.1	66%	0.658	23%	0.226	S	C	*	.	H	α-helix	trans	-53	-32.2	175.3	-58	-41	0	0	0	113.4	V289 E290	D286-V289 PolarHBondContact O-N 3.1Å; D286-E290 PolarHBondContact O-N 3.07Å
287	L	94.8	Very high	95.2	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.073	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-40.4	175.5	-68.8	178.1	0	0	0	110.9	D285 V289 E290 L291 L306 K342 Y343 H346	D285-L287 PolarHBondContact O-N 3.34Å; D285-L287 VanDerWaalsContact O-N 3.11Å; D285-L287 WeakPolarHBondContact OD1-CB 3.31Å; D285-L287 PolarHBondContact OD1-N 3.19Å; D285-L287 VanDerWaalsContact OD1-N 3.08Å; L287-V289 VanDerWaalsContact C-N 3.34Å; L287-V289 PolarHBondContact O-N 2.88Å; L287-E290 PolarHBondContact O-N 2.88Å; L287-L291 HydrophobicContact CB-CD1 4.28Å; L287-L291 VanDerWaalsContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CB 3.23Å; L287-L291 VanDerWaalsContact O-CD1 3.28Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 3.12Å; L287-L306 HydrophobicContact CD2-CD1 3.71Å; L287-K342 HydrophobicContact CD1-CB 3.86Å; L287-Y343 HydrophobicContact CD1-CD1 3.74Å; L287-Y343 HydrophobicContact CD1-CD2 3.97Å; L287-Y343 HydrophobicContact CD1-CE1 3.8Å; L287-Y343 HydrophobicContact CD1-CE2 4.03Å; L287-Y343 HydrophobicContact CD1-CG 3.82Å; L287-Y343 HydrophobicContact CD2-CE1 3.87Å; L287-H346 VanDerWaalsContact CB-CD2 3.49Å; L287-H346 WeakPolarHBondContact CB-CD2 3.4Å
288	W	97.2	Very high	95.5	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-45.9	175.3	175.9	-113	0	0	0	111	F249 Q250 Y254 L281 D282 D285 E290 L291 R292 H346 L349	F249-W288 HydrophobicContact CD1-CE3 4.26Å; F249-W288 AromaticContact CD1-CZ3 3.96Å; F249-W288 HydrophobicContact CD1-CZ3 3.96Å; F249-W288 HydrophobicContact CE1-CE3 4.1Å; F249-W288 AromaticContact CE1-CZ3 3.95Å; F249-W288 HydrophobicContact CE1-CZ3 3.95Å; Q250-W288 HydrophobicContact CB-CH2 3.72Å; Q250-W288 HydrophobicContact CB-CZ2 3.81Å; Q250-W288 HydrophobicContact CG-CH2 4.01Å; Q250-W288 HydrophobicContact CG-CZ2 3.72Å; Y254-W288 AromaticContact CE2-CH2 3.96Å; Y254-W288 HydrophobicContact CE2-CH2 3.96Å; Y254-W288 AromaticContact CE2-CZ2 3.94Å; Y254-W288 HydrophobicContact CE2-CZ2 3.94Å; L281-W288 HydrophobicContact CB-CD2 4.27Å; L281-W288 HydrophobicContact CB-CH2 4.46Å; L281-W288 HydrophobicContact CB-CZ2 4.15Å; L281-W288 HydrophobicContact CD1-CH2 3.94Å; L281-W288 HydrophobicContact CD1-CZ2 4.39Å; L281-W288 HydrophobicContact CD1-CZ3 4.08Å; L281-W288 HydrophobicContact CD2-CE3 4.25Å; L281-W288 HydrophobicContact CD2-CZ3 4.44Å; D282-W288 VanDerWaalsContact O-CD1 3.31Å; D285-W288 HydrophobicContact CB-CB 3.87Å; D285-W288 WeakPolarHBondContact O-CA 3.4Å; D285-W288 VanDerWaalsContact O-CB 3.28Å; D285-W288 WeakPolarHBondContact O-CB 3.25Å; D285-W288 PolarHBondContact O-N 3.09Å; W288-E290 VanDerWaalsContact C-N 3.31Å; W288-E290 PolarHBondContact O-N 2.97Å; W288-L291 PolarHBondContact O-N 2.75Å; W288-R292 HydrophobicContact CD2-CB 4.23Å; W288-R292 HydrophobicContact CZ2-CB 4.22Å; W288-R292 VanDerWaalsContact O-CB 3.23Å; W288-R292 WeakPolarHBondContact O-CB 3.49Å; W288-R292 WeakPolarHBondContact O-CG 3.5Å; W288-R292 PolarHBondContact O-N 3.39Å; W288-H346 AromaticContact CE3-CE1 3.94Å; W288-L349 HydrophobicContact CZ3-CD2 3.89Å
289	V	96.6	Very high	95.7	Very high	56 Å²	56	37.9 Å²	37.9	34%	0.339	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-39.7	178.4	178.8	0	0	0	0	111.9	E283 D285 D286 L287	E283-V289 HydrophobicContact CB-CG2 4Å; E283-V289 HydrophobicContact CG-CG2 3.98Å; D285-V289 PolarHBondContact O-N 2.98Å; D285-V289 VanDerWaalsContact O-N 3.1Å; D286-V289 PolarHBondContact O-N 3.1Å; L287-V289 VanDerWaalsContact C-N 3.34Å; L287-V289 PolarHBondContact O-N 2.88Å
290	E	96.1	Very high	95.5	Very high	89 Å²	89	39 Å²	39	42%	0.416	21%	0.214	S	C	.	.	H	α-helix	trans	-70.7	-36.6	177.2	-171.3	172.4	177.8	0	0	112.5	D286 L287 W288 K302 L306	D286-E290 PolarHBondContact O-N 3.07Å; L287-E290 PolarHBondContact O-N 2.88Å; W288-E290 VanDerWaalsContact C-N 3.31Å; W288-E290 PolarHBondContact O-N 2.97Å; E290-K302 WeakPolarHBondContact OE1-CE 3.39Å; E290-K302 IonicContact OE1-NZ 3.57Å; E290-K302 PolarHBondContact OE1-NZ 2.67Å; E290-L306 WeakPolarHBondContact OE2-CD1 3.28Å
291	L	97.8	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-94.7	-27.5	-169.7	-61.5	167	0	0	0	114.4	F249 L287 W288 H293 M294 V299 K302 V303 H346	F249-L291 WeakPolarHBondContact CB-O 3.29Å; F249-L291 HydrophobicContact CD1-CB 3.72Å; F249-L291 HydrophobicContact CE1-CB 4.02Å; F249-L291 HydrophobicContact CE1-CD1 4.4Å; L287-L291 HydrophobicContact CB-CD1 4.28Å; L287-L291 VanDerWaalsContact O-CB 3.27Å; L287-L291 WeakPolarHBondContact O-CB 3.23Å; L287-L291 VanDerWaalsContact O-CD1 3.28Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 3.12Å; W288-L291 PolarHBondContact O-N 2.75Å; L291-H293 PolarHBondContact O-N 2.85Å; L291-M294 HydrophobicContact CD2-SD 3.98Å; L291-M294 WeakPolarHBondContact O-CB 3.17Å; L291-M294 PolarHBondContact O-N 3.01Å; L291-V299 HydrophobicContact CD2-CG1 4.45Å; L291-K302 HydrophobicContact CD2-CB 4.12Å; L291-K302 HydrophobicContact CD2-CG 3.8Å; L291-V303 HydrophobicContact CD1-CG2 3.47Å; L291-V303 VanDerWaalsContact CD1-CG2 3.47Å; L291-V303 HydrophobicContact CD2-CG2 3.96Å; L291-V303 HydrophobicContact CG-CG2 4.38Å; L291-H346 HydrophobicContact CD1-CB 4Å
292	R	97.9	Very high	95.3	Very high	4 Å²	4	44 Å²	44	2%	0.015	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.8	-166.6	59.8	170.6	-176.9	-146.5	-14.5	115	E141 Q250 E283 W288 Y551	E141-R292 WeakPolarHBondContact OE1-CD 3.38Å; E141-R292 IonicContact OE1-CZ 3.72Å; E141-R292 IonicContact OE1-NE 2.7Å; E141-R292 IonicContact OE1-NH1 3.05Å; E141-R292 PolarHBondContact OE1-NH1 3.45Å; E141-R292 IonicContact OE2-CZ 3.63Å; E141-R292 IonicContact OE2-NH1 2.98Å; Q250-R292 HydrophobicContact CB-CB 3.83Å; Q250-R292 VanDerWaalsContact CB-O 3.31Å; Q250-R292 WeakPolarHBondContact CB-O 3.43Å; Q250-R292 PolarHBondContact N-O 3.36Å; E283-R292 IonicContact OE1-CZ 3.29Å; E283-R292 IonicContact OE1-NH1 2.84Å; E283-R292 PolarHBondContact OE1-NH1 3.16Å; E283-R292 IonicContact OE1-NH2 3.09Å; E283-R292 PolarHBondContact OE1-NH2 2.95Å; W288-R292 HydrophobicContact CD2-CB 4.23Å; W288-R292 HydrophobicContact CZ2-CB 4.22Å; W288-R292 VanDerWaalsContact O-CB 3.23Å; W288-R292 WeakPolarHBondContact O-CB 3.49Å; W288-R292 WeakPolarHBondContact O-CG 3.5Å; W288-R292 PolarHBondContact O-N 3.39Å; R292-Y551 VanDerWaalsContact NH2-CZ 3.25Å; R292-Y551 PolarHBondContact NH2-OH 3.28Å
293	H	98.2	Very high	95.2	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.106	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	5.2	-177.8	-60.5	-32.2	0	0	0	113.8	Q250 L291 R548 Y551	Q250-H293 PolarHBondContact OE1-CE1 2.92Å; L291-H293 PolarHBondContact O-N 2.85Å; H293-R548 HydrophobicContact CB-CG 3.94Å; H293-Y551 AromaticContact CD2-CD2 3.84Å; H293-Y551 AromaticContact CD2-CG 3.78Å; H293-Y551 AromaticContact CE1-CD2 3.89Å; H293-Y551 AromaticContact NE2-CD2 3.11Å; H293-Y551 WeakPolarHBondContact NE2-CD2 3.39Å; H293-Y551 AromaticContact NE2-CE2 3.44Å; H293-Y551 WeakPolarHBondContact NE2-CE2 3.48Å; H293-Y551 AromaticContact NE2-CG 3.5Å
294	M	98	Very high	95	Very high	49 Å²	49	42.7 Å²	42.7	24%	0.241	23%	0.229	C	C	.	.	S	Bend	trans	-82.1	150.2	176.7	-65.1	-174.6	60.6	0	0	111.2	T248 F249 L291 D298 V299 K302	T248-M294 CarbonylContact C-O 3.45Å; T248-M294 VanDerWaalsContact CA-O 3.25Å; T248-M294 WeakPolarHBondContact CA-O 3.34Å; F249-M294 PolarHBondContact N-O 2.92Å; L291-M294 HydrophobicContact CD2-SD 3.98Å; L291-M294 WeakPolarHBondContact O-CB 3.17Å; L291-M294 PolarHBondContact O-N 3.01Å; M294-D298 HydrophobicContact CE-CB 3.88Å; M294-V299 HydrophobicContact CB-CG2 4.14Å; M294-K302 HydrophobicContact CE-CB 3.82Å; M294-K302 HydrophobicContact CE-CG 3.89Å; M294-K302 HydrophobicContact SD-CB 4.33Å; M294-K302 HydrophobicContact SD-CG 3.91Å
295	H	98.3	Very high	95	Very high	27 Å²	27	43.8 Å²	43.8	13%	0.125	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-68.4	139.5	172.6	-168.8	-95	0	0	0	110.6	A297 D298 V299 Y470 S473	H295-A297 WeakPolarHBondContact ND1-CB 3.43Å; H295-A297 PolarHBondContact ND1-N 3.17Å; H295-A297 PolarHBondContact O-N 2.8Å; H295-D298 PolarHBondContact O-N 3.2Å; H295-V299 PolarHBondContact O-N 2.79Å; H295-Y470 HydrophobicContact CB-CD2 4.25Å; H295-Y470 HydrophobicContact CB-CE2 3.82Å; H295-Y470 AromaticContact CD2-CD2 3.63Å; H295-Y470 AromaticContact CE1-CD1 3.91Å; H295-Y470 AromaticContact CE1-CD2 3.71Å; H295-Y470 AromaticContact CE1-CG 3.61Å; H295-Y470 AromaticContact CG-CD2 3.61Å; H295-Y470 AromaticContact CG-CE2 3.58Å; H295-Y470 AromaticContact ND1-CD2 3.65Å; H295-Y470 AromaticContact ND1-CE2 3.6Å; H295-Y470 AromaticContact ND1-CG 3.94Å; H295-Y470 AromaticContact ND1-CZ 3.82Å; H295-Y470 AromaticContact NE2-CD2 3.7Å; H295-Y470 AromaticContact NE2-CG 3.76Å; H295-S473 PolarHBondContact CD2-OG 3.38Å; H295-S473 PolarHBondContact NE2-OG 2.96Å
296	I	97.1	Very high	94.9	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-31.6	-174	-171.9	61.4	0	0	0	113.4	L247 F249 M252 D298 V299 A350 C353 M354	L247-I296 HydrophobicContact CB-CG2 4.22Å; L247-I296 PolarHBondContact O-N 3.13Å; F249-I296 HydrophobicContact CD2-CD1 4.05Å; F249-I296 HydrophobicContact CE2-CD1 4.44Å; M252-I296 HydrophobicContact CE-CG1 4.32Å; M252-I296 HydrophobicContact CE-CG2 4.35Å; M252-I296 HydrophobicContact SD-CB 3.63Å; M252-I296 HydrophobicContact SD-CD1 4.22Å; M252-I296 HydrophobicContact SD-CG1 3.68Å; M252-I296 HydrophobicContact SD-CG2 3.76Å; I296-D298 PolarHBondContact O-N 2.91Å; I296-V299 HydrophobicContact CD1-CB 4.42Å; I296-V299 HydrophobicContact CD1-CG2 4.46Å; I296-V299 PolarHBondContact O-N 3.37Å; I296-A350 HydrophobicContact CD1-CB 4.22Å; I296-C353 HydrophobicContact CD1-CB 4.1Å; I296-M354 HydrophobicContact CG1-CG 4.08Å; I296-M354 HydrophobicContact CG1-SD 3.61Å; I296-M354 HydrophobicContact CG2-SD 4.27Å
297	A	95.3	Very high	94.6	Very high	59 Å²	59	38.9 Å²	38.9	49%	0.488	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-28	176.6	0	0	0	0	0	113.3	H295 Y470	H295-A297 WeakPolarHBondContact ND1-CB 3.43Å; H295-A297 PolarHBondContact ND1-N 3.17Å; H295-A297 PolarHBondContact O-N 2.8Å; A297-Y470 HydrophobicContact CB-CE1 4.09Å
298	D	96.4	Very high	94.1	Very high	60 Å²	60	43.8 Å²	43.8	32%	0.321	23%	0.226	S	C	.	.	H	α-helix	trans	-100.6	-20.2	-176.5	-57.1	-40	0	0	0	112.9	M294 H295 I296 S300 K301 K302 Y470	M294-D298 HydrophobicContact CE-CB 3.88Å; H295-D298 PolarHBondContact O-N 3.2Å; I296-D298 PolarHBondContact O-N 2.91Å; D298-S300 PolarHBondContact O-N 3.07Å; D298-K301 PolarHBondContact O-N 3.43Å; D298-K302 WeakPolarHBondContact O-CB 3.43Å; D298-K302 PolarHBondContact O-N 3.28Å; D298-Y470 PolarHBondContact OD1-OH 2.85Å; D298-Y470 PolarHBondContact OD2-OH 3.34Å
299	V	95.7	Very high	93.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-55.1	-174.2	173.3	0	0	0	0	111.4	F249 L291 M294 H295 I296 K301 K302 V303 A350	F249-V299 HydrophobicContact CB-CG2 3.83Å; F249-V299 HydrophobicContact CD1-CG1 4.25Å; F249-V299 HydrophobicContact CD1-CG2 4.45Å; F249-V299 HydrophobicContact CD2-CG1 4.06Å; F249-V299 HydrophobicContact CD2-CG2 4.1Å; F249-V299 HydrophobicContact CE1-CG1 4.16Å; F249-V299 HydrophobicContact CE2-CG1 3.97Å; F249-V299 HydrophobicContact CG-CG1 4.2Å; F249-V299 HydrophobicContact CG-CG2 3.89Å; F249-V299 HydrophobicContact CZ-CG1 4Å; L291-V299 HydrophobicContact CD2-CG1 4.45Å; M294-V299 HydrophobicContact CB-CG2 4.14Å; H295-V299 PolarHBondContact O-N 2.79Å; I296-V299 HydrophobicContact CD1-CB 4.42Å; I296-V299 HydrophobicContact CD1-CG2 4.46Å; I296-V299 PolarHBondContact O-N 3.37Å; V299-K301 VanDerWaalsContact C-N 3.28Å; V299-K301 PolarHBondContact O-N 2.81Å; V299-K302 PolarHBondContact O-N 3.33Å; V299-K302 VanDerWaalsContact O-N 3.09Å; V299-V303 HydrophobicContact CG1-CG2 4.14Å; V299-V303 VanDerWaalsContact O-CG2 3.29Å; V299-V303 WeakPolarHBondContact O-CG2 3.46Å; V299-V303 PolarHBondContact O-N 3.1Å; V299-A350 HydrophobicContact CG1-CB 3.99Å
300	S	90.4	Very high	93.2	Very high	49 Å²	49	46 Å²	46	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-41.4	-177.1	-62.5	0	0	0	0	112.1	D298 T304	D298-S300 PolarHBondContact O-N 3.07Å; S300-T304 PolarHBondContact O-N 3.42Å; S300-T304 VanDerWaalsContact O-N 3.11Å; S300-T304 PolarHBondContact O-OG1 3.08Å; S300-T304 VanDerWaalsContact O-OG1 3.1Å
301	K	91.8	Very high	92.6	Very high	153 Å²	153	42 Å²	42	67%	0.665	22%	0.219	S	C	*	.	H	α-helix	trans	-63	-46.7	176.6	-179	-176	173.9	-171.4	0	110.7	D298 V299 T304 E305	D298-K301 PolarHBondContact O-N 3.43Å; V299-K301 VanDerWaalsContact C-N 3.28Å; V299-K301 PolarHBondContact O-N 2.81Å; K301-T304 PolarHBondContact O-N 3.06Å; K301-E305 WeakPolarHBondContact O-CB 3.35Å; K301-E305 PolarHBondContact O-N 3.44Å
302	K	94.9	Very high	91.9	Very high	45 Å²	45	47.4 Å²	47.4	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-42.5	-179.3	-176.3	62.1	176.3	173.6	0	112.1	E290 L291 M294 D298 V299 T304 E305 L306	E290-K302 WeakPolarHBondContact OE1-CE 3.39Å; E290-K302 IonicContact OE1-NZ 3.57Å; E290-K302 PolarHBondContact OE1-NZ 2.67Å; L291-K302 HydrophobicContact CD2-CB 4.12Å; L291-K302 HydrophobicContact CD2-CG 3.8Å; M294-K302 HydrophobicContact CE-CB 3.82Å; M294-K302 HydrophobicContact CE-CG 3.89Å; M294-K302 HydrophobicContact SD-CB 4.33Å; M294-K302 HydrophobicContact SD-CG 3.91Å; D298-K302 WeakPolarHBondContact O-CB 3.43Å; D298-K302 PolarHBondContact O-N 3.28Å; V299-K302 PolarHBondContact O-N 3.33Å; V299-K302 VanDerWaalsContact O-N 3.09Å; K302-T304 PolarHBondContact O-N 3.49Å; K302-E305 WeakPolarHBondContact O-CB 3.24Å; K302-E305 PolarHBondContact O-N 3.35Å; K302-L306 HydrophobicContact CD-CG 4.39Å; K302-L306 HydrophobicContact CG-CD1 4.23Å; K302-L306 WeakPolarHBondContact O-CG 3.4Å; K302-L306 PolarHBondContact O-N 3.16Å
303	V	91.8	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.8	176.7	179.7	0	0	0	0	111	L291 V299 L306 L307 Y343 H346 L347	L291-V303 HydrophobicContact CD1-CG2 3.47Å; L291-V303 VanDerWaalsContact CD1-CG2 3.47Å; L291-V303 HydrophobicContact CD2-CG2 3.96Å; L291-V303 HydrophobicContact CG-CG2 4.38Å; V299-V303 HydrophobicContact CG1-CG2 4.14Å; V299-V303 VanDerWaalsContact O-CG2 3.29Å; V299-V303 WeakPolarHBondContact O-CG2 3.46Å; V299-V303 PolarHBondContact O-N 3.1Å; V303-L306 PolarHBondContact O-N 3.07Å; V303-L307 WeakPolarHBondContact O-CB 3.46Å; V303-L307 PolarHBondContact O-N 3Å; V303-Y343 HydrophobicContact CG1-CD1 4.05Å; V303-H346 HydrophobicContact CG2-CB 4.18Å; V303-L347 HydrophobicContact CB-CD2 3.99Å; V303-L347 HydrophobicContact CB-CG 4.46Å; V303-L347 HydrophobicContact CG1-CD1 4.32Å; V303-L347 HydrophobicContact CG1-CD2 3.68Å; V303-L347 HydrophobicContact CG1-CG 3.63Å
304	T	88.3	Confident	90.6	Very high	49 Å²	49	53.6 Å²	53.6	30%	0.301	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-38.4	176	-59.8	0	0	0	0	112.3	S300 K301 K302 L307 K308	S300-T304 PolarHBondContact O-N 3.42Å; S300-T304 VanDerWaalsContact O-N 3.11Å; S300-T304 PolarHBondContact O-OG1 3.08Å; S300-T304 VanDerWaalsContact O-OG1 3.1Å; K301-T304 PolarHBondContact O-N 3.06Å; K302-T304 PolarHBondContact O-N 3.49Å; T304-L307 PolarHBondContact O-N 3.03Å; T304-K308 WeakPolarHBondContact O-CB 3.5Å; T304-K308 PolarHBondContact O-N 3.41Å
305	E	91.3	Very high	89.3	Confident	99 Å²	99	62.5 Å²	62.5	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-47.4	175.4	-175.9	-171.5	150.3	0	0	112	K301 K302 L307 K308 T309	K301-E305 WeakPolarHBondContact O-CB 3.35Å; K301-E305 PolarHBondContact O-N 3.44Å; K302-E305 WeakPolarHBondContact O-CB 3.24Å; K302-E305 PolarHBondContact O-N 3.35Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.1Å; E305-K308 PolarHBondContact O-N 3.11Å; E305-T309 PolarHBondContact O-N 2.83Å; E305-T309 PolarHBondContact O-OG1 3.26Å
306	L	91	Very high	87.7	Confident	28 Å²	28	62.8 Å²	62.8	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-41.2	176.8	-69.7	173.6	0	0	0	111.3	L287 E290 K302 V303 K308 T309 F310 Y343	L287-L306 HydrophobicContact CD2-CD1 3.71Å; E290-L306 WeakPolarHBondContact OE2-CD1 3.28Å; K302-L306 HydrophobicContact CD-CG 4.39Å; K302-L306 HydrophobicContact CG-CD1 4.23Å; K302-L306 WeakPolarHBondContact O-CG 3.4Å; K302-L306 PolarHBondContact O-N 3.16Å; V303-L306 PolarHBondContact O-N 3.07Å; L306-K308 PolarHBondContact O-N 3.35Å; L306-T309 PolarHBondContact O-N 3.25Å; L306-F310 WeakPolarHBondContact O-CB 3.26Å; L306-F310 PolarHBondContact O-N 3.17Å; L306-Y343 HydrophobicContact CB-CE1 3.74Å
307	L	86.8	Confident	85.8	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175.8	178.7	64.3	0	0	0	111.8	V303 T304 E305 F310 C311 A321 L326 L340 Y343	V303-L307 WeakPolarHBondContact O-CB 3.46Å; V303-L307 PolarHBondContact O-N 3Å; T304-L307 PolarHBondContact O-N 3.03Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.1Å; L307-F310 WeakPolarHBondContact O-CB 3.41Å; L307-F310 PolarHBondContact O-N 3.42Å; L307-C311 PolarHBondContact O-N 3.12Å; L307-C311 PolarHBondContact O-SG 3.32Å; L307-C311 VanDerWaalsContact O-SG 3.39Å; L307-A321 HydrophobicContact CD2-CB 4.14Å; L307-L326 HydrophobicContact CD1-CD1 4.34Å; L307-L326 HydrophobicContact CD2-CD1 3.48Å; L307-L326 VanDerWaalsContact CD2-CD1 3.48Å; L307-L340 HydrophobicContact CD1-CD2 3.97Å; L307-Y343 HydrophobicContact CB-CD1 3.77Å; L307-Y343 HydrophobicContact CB-CE1 3.97Å; L307-Y343 HydrophobicContact CB-CG 4.39Å; L307-Y343 HydrophobicContact CD1-CD1 4.16Å; L307-Y343 HydrophobicContact CD1-CD2 4.14Å; L307-Y343 HydrophobicContact CD1-CG 3.93Å
308	K	85.8	Confident	83.9	Confident	117 Å²	117	68.8 Å²	68.8	51%	0.509	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-47.8	177	-178.4	176.9	171.7	179.8	0	110.8	T304 E305 L306 F310 C311 E312	T304-K308 WeakPolarHBondContact O-CB 3.5Å; T304-K308 PolarHBondContact O-N 3.41Å; E305-K308 PolarHBondContact O-N 3.11Å; L306-K308 PolarHBondContact O-N 3.35Å; K308-F310 VanDerWaalsContact C-N 3.27Å; K308-F310 PolarHBondContact O-N 2.87Å; K308-C311 PolarHBondContact O-N 3.13Å; K308-E312 WeakPolarHBondContact CE-OE1 3.27Å; K308-E312 IonicContact NZ-OE1 2.64Å; K308-E312 WeakPolarHBondContact O-CG 3.37Å; K308-E312 PolarHBondContact O-N 3.05Å
309	T	88.4	Confident	81.9	Confident	79 Å²	79	74 Å²	74	49%	0.485	37%	0.373	S	S	.	.	H	α-helix	trans	-57.9	-42	176.3	-55.3	0	0	0	0	111.2	E305 L306 E312 S313	E305-T309 PolarHBondContact O-N 2.83Å; E305-T309 PolarHBondContact O-OG1 3.26Å; L306-T309 PolarHBondContact O-N 3.25Å; T309-E312 PolarHBondContact O-N 2.95Å; T309-S313 WeakPolarHBondContact O-CB 3.48Å; T309-S313 PolarHBondContact O-N 3.36Å
310	F	86.2	Confident	79.9	Confident	26 Å²	26	81.4 Å²	81.4	11%	0.114	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-50.9	175.2	176.9	-99.4	0	0	0	111.7	L306 L307 K308 E312 S313 K314 Y336 E339 L340 Y343	L306-F310 WeakPolarHBondContact O-CB 3.26Å; L306-F310 PolarHBondContact O-N 3.17Å; L307-F310 WeakPolarHBondContact O-CB 3.41Å; L307-F310 PolarHBondContact O-N 3.42Å; K308-F310 VanDerWaalsContact C-N 3.27Å; K308-F310 PolarHBondContact O-N 2.87Å; F310-E312 PolarHBondContact O-N 3.45Å; F310-S313 PolarHBondContact O-N 3.5Å; F310-S313 PolarHBondContact O-OG 3.25Å; F310-K314 HydrophobicContact CE1-CG 4.5Å; F310-K314 HydrophobicContact CE2-CG 4.39Å; F310-K314 HydrophobicContact CZ-CG 4.23Å; F310-K314 WeakPolarHBondContact O-CG 3.06Å; F310-K314 PolarHBondContact O-N 2.98Å; F310-Y336 HydrophobicContact CZ-CD1 4.24Å; F310-Y336 HydrophobicContact CZ-CG 4.13Å; F310-E339 WeakPolarHBondContact CE2-OE2 3.34Å; F310-E339 HydrophobicContact CZ-CB 4.25Å; F310-E339 WeakPolarHBondContact CZ-OE2 3.44Å; F310-L340 HydrophobicContact CD1-CD2 4.29Å; F310-L340 HydrophobicContact CE1-CD2 3.99Å; F310-L340 HydrophobicContact CE1-CG 4.37Å; F310-Y343 HydrophobicContact CB-CE2 4.48Å; F310-Y343 HydrophobicContact CG-CE2 4.33Å
311	C	82.8	Confident	78.1	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.041	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-44.4	177.7	-71.8	0	0	0	0	112.4	L307 K308 S313 K314 R315 L316	L307-C311 PolarHBondContact O-N 3.12Å; L307-C311 PolarHBondContact O-SG 3.32Å; L307-C311 VanDerWaalsContact O-SG 3.39Å; K308-C311 PolarHBondContact O-N 3.13Å; C311-S313 PolarHBondContact O-N 2.84Å; C311-K314 CarbonylContact O-C 3.49Å; C311-K314 PolarHBondContact O-N 3.24Å; C311-R315 PolarHBondContact O-N 2.78Å; C311-L316 HydrophobicContact CB-CB 4.08Å; C311-L316 HydrophobicContact CB-CD1 4.33Å; C311-L316 WeakPolarHBondContact O-CB 3.46Å; C311-L316 PolarHBondContact O-N 2.82Å
312	E	83.9	Confident	76.6	Confident	112 Å²	112	77.2 Å²	77.2	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.3	-73.5	176.7	-179.1	0	0	111.8	K308 T309 F310 K314 R315	K308-E312 WeakPolarHBondContact CE-OE1 3.27Å; K308-E312 IonicContact NZ-OE1 2.64Å; K308-E312 WeakPolarHBondContact O-CG 3.37Å; K308-E312 PolarHBondContact O-N 3.05Å; T309-E312 PolarHBondContact O-N 2.95Å; F310-E312 PolarHBondContact O-N 3.45Å; E312-K314 PolarHBondContact O-N 3.48Å; E312-R315 WeakPolarHBondContact O-CA 3.23Å; E312-R315 PolarHBondContact O-N 3.43Å
313	S	86.3	Confident	74.9	Confident	78 Å²	78	79.4 Å²	79.4	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-29.9	176.6	81.6	0	0	0	0	112.9	T309 F310 C311 R315	T309-S313 WeakPolarHBondContact O-CB 3.48Å; T309-S313 PolarHBondContact O-N 3.36Å; F310-S313 PolarHBondContact O-N 3.5Å; F310-S313 PolarHBondContact O-OG 3.25Å; C311-S313 PolarHBondContact O-N 2.84Å; S313-R315 VanDerWaalsContact C-N 3.34Å
314	K	82.8	Confident	73.4	Confident	79 Å²	79	88.3 Å²	88.3	34%	0.343	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.3	176.6	-54	-51.8	-177.8	-173.5	0	113.1	F310 C311 E312 L316 Y336	F310-K314 HydrophobicContact CE1-CG 4.5Å; F310-K314 HydrophobicContact CE2-CG 4.39Å; F310-K314 HydrophobicContact CZ-CG 4.23Å; F310-K314 WeakPolarHBondContact O-CG 3.06Å; F310-K314 PolarHBondContact O-N 2.98Å; C311-K314 CarbonylContact O-C 3.49Å; C311-K314 PolarHBondContact O-N 3.24Å; E312-K314 PolarHBondContact O-N 3.48Å; K314-L316 PolarHBondContact O-N 2.93Å; K314-Y336 HydrophobicContact CD-CE1 4.43Å; K314-Y336 HydrophobicContact CD-CE2 4.31Å; K314-Y336 HydrophobicContact CG-CE2 4.22Å
315	R	70.8	Confident	72.3	Confident	236 Å²	236	88.6 Å²	88.6	89%	0.891	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	37.7	178.7	-57.3	179.9	174.9	-178.9	-2.3	114.1	C311 E312 S313	C311-R315 PolarHBondContact O-N 2.78Å; E312-R315 WeakPolarHBondContact O-CA 3.23Å; E312-R315 PolarHBondContact O-N 3.43Å; S313-R315 VanDerWaalsContact C-N 3.34Å
316	L	64.2	Low	71.2	Confident	34 Å²	34	84.1 Å²	84.1	18%	0.178	42%	0.419	C	S	.	.			trans	-93.1	118.8	169.9	-82.1	154.1	0	0	0	110.4	C311 K314 T318 M333	C311-L316 HydrophobicContact CB-CB 4.08Å; C311-L316 HydrophobicContact CB-CD1 4.33Å; C311-L316 WeakPolarHBondContact O-CB 3.46Å; C311-L316 PolarHBondContact O-N 2.82Å; K314-L316 PolarHBondContact O-N 2.93Å; L316-T318 PolarHBondContact O-N 2.9Å; L316-M333 HydrophobicContact CD1-CE 3.41Å; L316-M333 VanDerWaalsContact CD1-CE 3.41Å; L316-M333 HydrophobicContact CD1-SD 3.51Å; L316-M333 VanDerWaalsContact CD1-SD 3.51Å; L316-M333 HydrophobicContact CD2-CE 3.8Å; L316-M333 HydrophobicContact CG-CE 3.51Å; L316-M333 HydrophobicContact CG-SD 4.29Å
317	T	56.9	Low	70	Confident	142 Å²	142	86.1 Å²	86.1	87%	0.871	44%	0.436	S	S	*	.			trans	-81.8	101.8	164.8	51.2	0	0	0	0	108.6
318	T	56.2	Low	69.2	Low	51 Å²	51	91 Å²	91	31%	0.313	46%	0.458	S	S	.	.			trans	-127.2	112.8	170.5	-43.9	0	0	0	0	108.7	L316 K320	L316-T318 PolarHBondContact O-N 2.9Å; T318-K320 VanDerWaalsContact CG2-O 3.26Å; T318-K320 WeakPolarHBondContact CG2-O 3.28Å; T318-K320 PolarHBondContact O-N 3.07Å
319	D	52.8	Low	68.4	Low	170 Å²	170	85.8 Å²	85.8	91%	0.909	44%	0.436	S	S	*	.	S	Bend	trans	-74.6	-10.8	-177.6	-69.8	-31.8	0	0	0	113.4
320	K	54.1	Low	67.6	Low	155 Å²	155	83.6 Å²	83.6	67%	0.674	42%	0.421	S	S	*	.			trans	-143.3	111.4	179	-63	-176.8	-178	177.5	0	110.2	T318 D325	T318-K320 VanDerWaalsContact CG2-O 3.26Å; T318-K320 WeakPolarHBondContact CG2-O 3.28Å; T318-K320 PolarHBondContact O-N 3.07Å; K320-D325 VanDerWaalsContact O-OD2 3.14Å
321	A	54	Low	67	Low	16 Å²	16	88.3 Å²	88.3	13%	0.132	44%	0.442	C	S	.	.			trans	-103.6	77.4	176.8	0	0	0	0	0	109.8	L307	L307-A321 HydrophobicContact CD2-CB 4.14Å
322	N	58.5	Low	66.6	Low	99 Å²	99	94.6 Å²	94.6	53%	0.529	47%	0.468	S	S	.	.			trans	-108.9	163.1	176	-75.9	-4.8	0	0	0	112	K324 D325 L326	N322-K324 PolarHBondContact O-N 2.88Å; N322-K324 VanDerWaalsContact O-N 3.12Å; N322-D325 PolarHBondContact N-OD2 2.9Å; N322-D325 WeakPolarHBondContact O-CA 3.4Å; N322-D325 WeakPolarHBondContact O-CB 3.44Å; N322-D325 PolarHBondContact O-N 3.42Å; N322-L326 PolarHBondContact O-N 3.02Å; N322-L326 VanDerWaalsContact O-N 3.17Å
323	I	59.1	Low	66	Low	91 Å²	91	90.8 Å²	90.8	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-49.1	-40.6	177.2	-66.8	171.1	0	0	0	112.2	D325 L326 L347	I323-D325 VanDerWaalsContact C-N 3.3Å; I323-D325 PolarHBondContact O-N 3.31Å; I323-L326 WeakPolarHBondContact O-CB 3.44Å; I323-L326 PolarHBondContact O-N 3Å; I323-L347 HydrophobicContact CD1-CB 3.92Å; I323-L347 HydrophobicContact CG1-CB 3.88Å; I323-L347 HydrophobicContact CG1-CD1 3.69Å; I323-L347 HydrophobicContact CG1-CG 4.23Å
324	K	62.3	Low	65.7	Low	186 Å²	186	91.2 Å²	91.2	81%	0.809	45%	0.452	S	S	*	.	H	α-helix	trans	-67.8	-28.3	179.2	-67.8	-175.4	178.2	-179.4	0	113.2	N322	N322-K324 PolarHBondContact O-N 2.88Å; N322-K324 VanDerWaalsContact O-N 3.12Å
325	D	64.1	Low	65.7	Low	56 Å²	56	94.4 Å²	94.4	30%	0.299	47%	0.468	S	S	.	.	H	α-helix	trans	-82.3	-21.4	177.8	-57.5	-48.6	0	0	0	111.6	K320 N322 I323 S327 H328 I329	K320-D325 VanDerWaalsContact O-OD2 3.14Å; N322-D325 PolarHBondContact N-OD2 2.9Å; N322-D325 WeakPolarHBondContact O-CA 3.4Å; N322-D325 WeakPolarHBondContact O-CB 3.44Å; N322-D325 PolarHBondContact O-N 3.42Å; I323-D325 VanDerWaalsContact C-N 3.3Å; I323-D325 PolarHBondContact O-N 3.31Å; D325-S327 PolarHBondContact O-N 3.46Å; D325-H328 CarbonylContact O-C 3.55Å; D325-H328 WeakPolarHBondContact O-CA 3.4Å; D325-H328 WeakPolarHBondContact O-CB 3.49Å; D325-H328 PolarHBondContact O-N 2.99Å; D325-I329 HydrophobicContact CB-CD1 4.5Å; D325-I329 VanDerWaalsContact O-CG1 3.29Å; D325-I329 WeakPolarHBondContact O-CG1 3.36Å; D325-I329 PolarHBondContact O-N 3.43Å
326	L	67.8	Low	66.3	Low	4 Å²	4	86 Å²	86	2%	0.021	44%	0.436	C	S	.	.	H	α-helix	trans	-65.3	-38.5	-176	-141.5	135.8	0	0	0	112.3	L307 N322 I323 H328 I329 L330 L340 L347	L307-L326 HydrophobicContact CD1-CD1 4.34Å; L307-L326 HydrophobicContact CD2-CD1 3.48Å; L307-L326 VanDerWaalsContact CD2-CD1 3.48Å; N322-L326 PolarHBondContact O-N 3.02Å; N322-L326 VanDerWaalsContact O-N 3.17Å; I323-L326 WeakPolarHBondContact O-CB 3.44Å; I323-L326 PolarHBondContact O-N 3Å; L326-H328 VanDerWaalsContact C-N 3.28Å; L326-H328 PolarHBondContact O-N 3.06Å; L326-I329 PolarHBondContact O-N 3.44Å; L326-L330 HydrophobicContact CD2-CD1 3.95Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 2.98Å; L326-L340 HydrophobicContact CD2-CB 4.42Å; L326-L347 HydrophobicContact CD1-CD1 3.94Å
327	S	67.1	Low	67.2	Low	71 Å²	71	88.9 Å²	88.9	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-32.2	172.2	-62.4	0	0	0	0	112.7	D325 K331	D325-S327 PolarHBondContact O-N 3.46Å; S327-K331 PolarHBondContact O-N 3.02Å
328	H	68.9	Low	68.5	Low	102 Å²	102	90.4 Å²	90.4	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-77.8	-36.5	175.8	178.5	-101.2	0	0	0	111.8	D325 L326 K331 K332	D325-H328 CarbonylContact O-C 3.55Å; D325-H328 WeakPolarHBondContact O-CA 3.4Å; D325-H328 WeakPolarHBondContact O-CB 3.49Å; D325-H328 PolarHBondContact O-N 2.99Å; L326-H328 VanDerWaalsContact C-N 3.28Å; L326-H328 PolarHBondContact O-N 3.06Å; H328-K331 PolarHBondContact O-N 3.13Å; H328-K332 WeakPolarHBondContact CE1-CE 3.49Å; H328-K332 PolarHBondContact O-N 3.34Å
329	I	69.4	Low	69.9	Low	9 Å²	9	91.9 Å²	91.9	5%	0.046	45%	0.447	C	S	.	.	H	α-helix	trans	-64.4	-41.8	172.8	-64.6	164.7	0	0	0	110.4	D325 L326 K331 K332 M333 L340	D325-I329 HydrophobicContact CB-CD1 4.5Å; D325-I329 VanDerWaalsContact O-CG1 3.29Å; D325-I329 WeakPolarHBondContact O-CG1 3.36Å; D325-I329 PolarHBondContact O-N 3.43Å; L326-I329 PolarHBondContact O-N 3.44Å; I329-K331 VanDerWaalsContact C-N 3.26Å; I329-K331 PolarHBondContact O-N 3.46Å; I329-K332 PolarHBondContact O-N 2.85Å; I329-M333 PolarHBondContact O-N 3.13Å; I329-M333 VanDerWaalsContact O-N 3.13Å; I329-L340 HydrophobicContact CG2-CD1 3.83Å; I329-L340 HydrophobicContact CG2-CD2 4.16Å
330	L	72.1	Confident	71.4	Confident	32 Å²	32	83.8 Å²	83.8	17%	0.168	40%	0.404	C	S	.	.	H	α-helix	trans	-54.9	-40.6	175.4	-118.8	106.3	0	0	0	112.3	L326 K332 M333 Q337 L340	L326-L330 HydrophobicContact CD2-CD1 3.95Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 2.98Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.49Å; L330-M333 CarbonylContact O-C 3.58Å; L330-M333 PolarHBondContact O-N 3.46Å; L330-Q337 HydrophobicContact CD2-CG 3.7Å; L330-Q337 HydrophobicContact CG-CG 4.4Å; L330-L340 HydrophobicContact CD1-CB 3.77Å; L330-L340 HydrophobicContact CD1-CD1 4.4Å; L330-L340 HydrophobicContact CG-CB 4.43Å; L330-L340 HydrophobicContact CG-CD1 4.43Å
331	K	73.9	Confident	73	Confident	126 Å²	126	78.8 Å²	78.8	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-36	177.2	-71.6	178.4	179.8	-176.2	0	112.8	L271 S327 H328 I329 M333	L271-K331 VanDerWaalsContact CD1-NZ 3.26Å; S327-K331 PolarHBondContact O-N 3.02Å; H328-K331 PolarHBondContact O-N 3.13Å; I329-K331 VanDerWaalsContact C-N 3.26Å; I329-K331 PolarHBondContact O-N 3.46Å; K331-M333 VanDerWaalsContact C-N 3.33Å
332	K	74.4	Confident	74.7	Confident	137 Å²	137	80.6 Å²	80.6	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-76.6	-21.6	-179.3	-71.9	-174.8	172.4	-176.6	0	112.8	H328 I329 L330	H328-K332 WeakPolarHBondContact CE1-CE 3.49Å; H328-K332 PolarHBondContact O-N 3.34Å; I329-K332 PolarHBondContact O-N 2.85Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.49Å
333	M	71.1	Confident	76.2	Confident	32 Å²	32	77 Å²	77	16%	0.158	37%	0.369	C	S	.	.			trans	-139.1	75.7	-176.8	-67.4	-169.2	172.1	0	0	113.3	L316 I329 L330 K331 Q335 Y336	L316-M333 HydrophobicContact CD1-CE 3.41Å; L316-M333 VanDerWaalsContact CD1-CE 3.41Å; L316-M333 HydrophobicContact CD1-SD 3.51Å; L316-M333 VanDerWaalsContact CD1-SD 3.51Å; L316-M333 HydrophobicContact CD2-CE 3.8Å; L316-M333 HydrophobicContact CG-CE 3.51Å; L316-M333 HydrophobicContact CG-SD 4.29Å; I329-M333 PolarHBondContact O-N 3.13Å; I329-M333 VanDerWaalsContact O-N 3.13Å; L330-M333 CarbonylContact O-C 3.58Å; L330-M333 PolarHBondContact O-N 3.46Å; K331-M333 VanDerWaalsContact C-N 3.33Å; M333-Q335 PolarHBondContact O-N 2.96Å; M333-Y336 HydrophobicContact CB-CD2 3.98Å; M333-Y336 HydrophobicContact CG-CD2 4.25Å; M333-Y336 PolarHBondContact O-N 3.42Å; M333-Y336 VanDerWaalsContact O-N 3.13Å; M333-Y336 HydrophobicContact SD-CD2 3.51Å; M333-Y336 VanDerWaalsContact SD-CD2 3.51Å; M333-Y336 HydrophobicContact SD-CE2 3.84Å
334	P	78.6	Confident	77.6	Confident	87 Å²	87	74.1 Å²	74.1	57%	0.565	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.1	-33.1	174.5	-23.3	33.8	0	0	0	112.7	Y336 Q337	P334-Y336 VanDerWaalsContact C-N 3.26Å; P334-Y336 PolarHBondContact O-N 2.53Å; P334-Q337 WeakPolarHBondContact O-CB 3.49Å; P334-Q337 PolarHBondContact O-N 3.02Å; P334-Q337 VanDerWaalsContact O-N 3.15Å
335	Q	83.2	Confident	79	Confident	147 Å²	147	65.3 Å²	65.3	69%	0.687	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.9	179.6	68.2	-152.2	28.8	0	0	114.6	M333	M333-Q335 PolarHBondContact O-N 2.96Å
336	Y	83.3	Confident	80.5	Confident	58 Å²	58	62.7 Å²	62.7	23%	0.227	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-107.2	14.8	177.4	-58.7	-60.5	0	0	0	112.7	F310 K314 M333 P334 K338 E339 L340	F310-Y336 HydrophobicContact CZ-CD1 4.24Å; F310-Y336 HydrophobicContact CZ-CG 4.13Å; K314-Y336 HydrophobicContact CD-CE1 4.43Å; K314-Y336 HydrophobicContact CD-CE2 4.31Å; K314-Y336 HydrophobicContact CG-CE2 4.22Å; M333-Y336 HydrophobicContact CB-CD2 3.98Å; M333-Y336 HydrophobicContact CG-CD2 4.25Å; M333-Y336 PolarHBondContact O-N 3.42Å; M333-Y336 VanDerWaalsContact O-N 3.13Å; M333-Y336 HydrophobicContact SD-CD2 3.51Å; M333-Y336 VanDerWaalsContact SD-CD2 3.51Å; M333-Y336 HydrophobicContact SD-CE2 3.84Å; P334-Y336 VanDerWaalsContact C-N 3.26Å; P334-Y336 PolarHBondContact O-N 2.53Å; Y336-K338 VanDerWaalsContact C-N 3.26Å; Y336-K338 PolarHBondContact O-N 2.92Å; Y336-E339 PolarHBondContact O-N 3.21Å; Y336-E339 VanDerWaalsContact O-N 3.14Å; Y336-L340 WeakPolarHBondContact O-CG 3.25Å; Y336-L340 PolarHBondContact O-N 3.48Å
337	Q	82.8	Confident	81.6	Confident	96 Å²	96	63 Å²	63	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-56.2	-40	-176.9	-179.8	169.1	26.3	0	0	112.5	L330 P334 E339 N341	L330-Q337 HydrophobicContact CD2-CG 3.7Å; L330-Q337 HydrophobicContact CG-CG 4.4Å; P334-Q337 WeakPolarHBondContact O-CB 3.49Å; P334-Q337 PolarHBondContact O-N 3.02Å; P334-Q337 VanDerWaalsContact O-N 3.15Å; Q337-E339 PolarHBondContact O-N 2.77Å; Q337-N341 WeakPolarHBondContact O-CB 3.31Å; Q337-N341 PolarHBondContact O-N 3.42Å; Q337-N341 PolarHBondContact O-ND2 3.26Å; Q337-N341 PolarHBondContact O-OD1 3.14Å
338	K	85.6	Confident	82.8	Confident	173 Å²	173	62 Å²	62	75%	0.752	29%	0.293	S	S	*	.	H	α-helix	trans	-61.6	-44.5	178.6	-171.3	179.9	179.3	-177.2	0	112.1	Y336	Y336-K338 VanDerWaalsContact C-N 3.26Å; Y336-K338 PolarHBondContact O-N 2.92Å
339	E	85.8	Confident	84.1	Confident	82 Å²	82	57.1 Å²	57.1	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-70.4	-47.8	-179.7	-68.5	172.3	178.7	0	0	111	F310 Y336 Q337 N341 K342 Y343	F310-E339 WeakPolarHBondContact CE2-OE2 3.34Å; F310-E339 HydrophobicContact CZ-CB 4.25Å; F310-E339 WeakPolarHBondContact CZ-OE2 3.44Å; Y336-E339 PolarHBondContact O-N 3.21Å; Y336-E339 VanDerWaalsContact O-N 3.14Å; Q337-E339 PolarHBondContact O-N 2.77Å; E339-N341 PolarHBondContact O-N 2.94Å; E339-K342 WeakPolarHBondContact O-CB 3.36Å; E339-K342 PolarHBondContact O-N 3.22Å; E339-Y343 VanDerWaalsContact O-CD2 3.31Å; E339-Y343 WeakPolarHBondContact O-CD2 3.5Å; E339-Y343 PolarHBondContact O-N 2.91Å
340	L	84.3	Confident	85.4	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-35	177.1	-69.9	171.1	0	0	0	112.5	L307 F310 L326 I329 L330 Y336 K342 Y343 S344	L307-L340 HydrophobicContact CD1-CD2 3.97Å; F310-L340 HydrophobicContact CD1-CD2 4.29Å; F310-L340 HydrophobicContact CE1-CD2 3.99Å; F310-L340 HydrophobicContact CE1-CG 4.37Å; L326-L340 HydrophobicContact CD2-CB 4.42Å; I329-L340 HydrophobicContact CG2-CD1 3.83Å; I329-L340 HydrophobicContact CG2-CD2 4.16Å; L330-L340 HydrophobicContact CD1-CB 3.77Å; L330-L340 HydrophobicContact CD1-CD1 4.4Å; L330-L340 HydrophobicContact CG-CB 4.43Å; L330-L340 HydrophobicContact CG-CD1 4.43Å; Y336-L340 WeakPolarHBondContact O-CG 3.25Å; Y336-L340 PolarHBondContact O-N 3.48Å; L340-K342 PolarHBondContact O-N 2.86Å; L340-Y343 PolarHBondContact O-N 3.33Å; L340-S344 PolarHBondContact O-N 3.49Å
341	N	86.3	Confident	86.4	Confident	50 Å²	50	58.4 Å²	58.4	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-29.3	175.1	-80.5	-15.2	0	0	0	112.9	K277 Q337 E339 S344 T345	K277-N341 PolarHBondContact NZ-O 3.28Å; Q337-N341 WeakPolarHBondContact O-CB 3.31Å; Q337-N341 PolarHBondContact O-N 3.42Å; Q337-N341 PolarHBondContact O-ND2 3.26Å; Q337-N341 PolarHBondContact O-OD1 3.14Å; E339-N341 PolarHBondContact O-N 2.94Å; N341-S344 WeakPolarHBondContact O-CB 3.38Å; N341-T345 PolarHBondContact O-N 3.49Å; N341-T345 VanDerWaalsContact O-N 3.11Å; N341-T345 PolarHBondContact O-OG1 3.16Å
342	K	90.6	Very high	87.5	Confident	53 Å²	53	53.9 Å²	53.9	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-47.3	175.1	-64.9	175.5	158.2	-160.5	0	111	D284 D285 L287 E339 L340 S344 T345 H346	D284-K342 PolarHBondContact O-NZ 2.79Å; D285-K342 WeakPolarHBondContact OD1-CD 3.33Å; D285-K342 IonicContact OD1-NZ 3.09Å; L287-K342 HydrophobicContact CD1-CB 3.86Å; E339-K342 WeakPolarHBondContact O-CB 3.36Å; E339-K342 PolarHBondContact O-N 3.22Å; L340-K342 PolarHBondContact O-N 2.86Å; K342-S344 VanDerWaalsContact C-N 3.29Å; K342-S344 PolarHBondContact O-N 3.02Å; K342-T345 WeakPolarHBondContact O-CB 3.5Å; K342-T345 PolarHBondContact O-N 3.26Å; K342-T345 VanDerWaalsContact O-N 3.1Å; K342-H346 PolarHBondContact O-CD2 2.71Å; K342-H346 PolarHBondContact O-N 3.23Å; K342-H346 VanDerWaalsContact O-N 3.08Å
343	Y	90.4	Very high	88.6	Confident	25 Å²	25	47.3 Å²	47.3	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-43.7	173.8	-70.9	-83.6	0	0	0	112.2	L287 V303 L306 L307 F310 E339 L340 T345 H346 L347	L287-Y343 HydrophobicContact CD1-CD1 3.74Å; L287-Y343 HydrophobicContact CD1-CD2 3.97Å; L287-Y343 HydrophobicContact CD1-CE1 3.8Å; L287-Y343 HydrophobicContact CD1-CE2 4.03Å; L287-Y343 HydrophobicContact CD1-CG 3.82Å; L287-Y343 HydrophobicContact CD2-CE1 3.87Å; V303-Y343 HydrophobicContact CG1-CD1 4.05Å; L306-Y343 HydrophobicContact CB-CE1 3.74Å; L307-Y343 HydrophobicContact CB-CD1 3.77Å; L307-Y343 HydrophobicContact CB-CE1 3.97Å; L307-Y343 HydrophobicContact CB-CG 4.39Å; L307-Y343 HydrophobicContact CD1-CD1 4.16Å; L307-Y343 HydrophobicContact CD1-CD2 4.14Å; L307-Y343 HydrophobicContact CD1-CG 3.93Å; F310-Y343 HydrophobicContact CB-CE2 4.48Å; F310-Y343 HydrophobicContact CG-CE2 4.33Å; E339-Y343 VanDerWaalsContact O-CD2 3.31Å; E339-Y343 WeakPolarHBondContact O-CD2 3.5Å; E339-Y343 PolarHBondContact O-N 2.91Å; L340-Y343 PolarHBondContact O-N 3.33Å; Y343-T345 VanDerWaalsContact C-N 3.32Å; Y343-T345 PolarHBondContact O-N 3.14Å; Y343-H346 PolarHBondContact O-N 2.64Å; Y343-L347 WeakPolarHBondContact O-CG 3.35Å; Y343-L347 PolarHBondContact O-N 2.74Å
344	S	87.8	Confident	89.7	Confident	30 Å²	30	48.2 Å²	48.2	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-45.7	175	-173.4	0	0	0	0	112.1	L340 N341 K342 H348	L340-S344 PolarHBondContact O-N 3.49Å; N341-S344 WeakPolarHBondContact O-CB 3.38Å; K342-S344 VanDerWaalsContact C-N 3.29Å; K342-S344 PolarHBondContact O-N 3.02Å; S344-H348 PolarHBondContact O-N 3.03Å; S344-H348 VanDerWaalsContact O-N 3.07Å
345	T	92.4	Very high	90.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-50.5	178.8	-65.3	0	0	0	0	111.7	Y264 Y266 K277 V279 N341 K342 Y343 L347 H348 L349	Y264-T345 HydrophobicContact CD1-CG2 4.12Å; Y264-T345 HydrophobicContact CE1-CG2 4.43Å; Y266-T345 HydrophobicContact CE1-CG2 4.11Å; Y266-T345 WeakPolarHBondContact OH-CA 3.46Å; Y266-T345 PolarHBondContact OH-OG1 3.11Å; K277-T345 PolarHBondContact NZ-OG1 3.45Å; K277-T345 VanDerWaalsContact NZ-OG1 3.13Å; V279-T345 HydrophobicContact CB-CG2 4.14Å; V279-T345 HydrophobicContact CG1-CG2 4.04Å; V279-T345 HydrophobicContact CG2-CG2 4.13Å; N341-T345 PolarHBondContact O-N 3.49Å; N341-T345 VanDerWaalsContact O-N 3.11Å; N341-T345 PolarHBondContact O-OG1 3.16Å; K342-T345 WeakPolarHBondContact O-CB 3.5Å; K342-T345 PolarHBondContact O-N 3.26Å; K342-T345 VanDerWaalsContact O-N 3.1Å; Y343-T345 VanDerWaalsContact C-N 3.32Å; Y343-T345 PolarHBondContact O-N 3.14Å; T345-L347 VanDerWaalsContact C-N 3.34Å; T345-L347 PolarHBondContact O-N 2.95Å; T345-H348 PolarHBondContact O-N 3.46Å; T345-L349 WeakPolarHBondContact O-CB 3.47Å; T345-L349 PolarHBondContact O-N 3.26Å
346	H	94.4	Very high	91.1	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-31.6	-177.3	-66.4	-57.8	0	0	0	113.5	F249 D285 L287 W288 L291 V303 K342 Y343 A350	F249-H346 AromaticContact CE1-ND1 3.77Å; D285-H346 IonicContact OD1-NE2 3.91Å; D285-H346 IonicContact OD2-CD2 2.94Å; D285-H346 IonicContact OD2-CE1 2.73Å; D285-H346 IonicContact OD2-NE2 3.18Å; D285-H346 PolarHBondContact OD2-NE2 3.11Å; L287-H346 VanDerWaalsContact CB-CD2 3.49Å; L287-H346 WeakPolarHBondContact CB-CD2 3.4Å; W288-H346 AromaticContact CE3-CE1 3.94Å; L291-H346 HydrophobicContact CD1-CB 4Å; V303-H346 HydrophobicContact CG2-CB 4.18Å; K342-H346 PolarHBondContact O-CD2 2.71Å; K342-H346 PolarHBondContact O-N 3.23Å; K342-H346 VanDerWaalsContact O-N 3.08Å; Y343-H346 PolarHBondContact O-N 2.64Å; H346-A350 VanDerWaalsContact O-CB 3.31Å; H346-A350 WeakPolarHBondContact O-CB 3.44Å; H346-A350 PolarHBondContact O-N 2.9Å
347	L	91.5	Very high	91.7	Very high	12 Å²	12	47 Å²	47	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-42.5	171.3	-73.3	171.4	0	0	0	112	V303 I323 L326 Y343 T345 D351	V303-L347 HydrophobicContact CB-CD2 3.99Å; V303-L347 HydrophobicContact CB-CG 4.46Å; V303-L347 HydrophobicContact CG1-CD1 4.32Å; V303-L347 HydrophobicContact CG1-CD2 3.68Å; V303-L347 HydrophobicContact CG1-CG 3.63Å; I323-L347 HydrophobicContact CD1-CB 3.92Å; I323-L347 HydrophobicContact CG1-CB 3.88Å; I323-L347 HydrophobicContact CG1-CD1 3.69Å; I323-L347 HydrophobicContact CG1-CG 4.23Å; L326-L347 HydrophobicContact CD1-CD1 3.94Å; Y343-L347 WeakPolarHBondContact O-CG 3.35Å; Y343-L347 PolarHBondContact O-N 2.74Å; T345-L347 VanDerWaalsContact C-N 3.34Å; T345-L347 PolarHBondContact O-N 2.95Å; L347-D351 WeakPolarHBondContact O-CB 3.37Å; L347-D351 PolarHBondContact O-N 3.13Å
348	H	92.3	Very high	92.2	Very high	48 Å²	48	49.2 Å²	49.2	22%	0.222	23%	0.225	C	C	.	.	H	α-helix	trans	-68.4	-42.6	177.8	-163.2	-73.9	0	0	0	111.4	Y264 Y266 S344 T345 A350 D351 D352	Y264-H348 AromaticContact CZ-ND1 3.98Å; Y264-H348 PolarHBondContact OH-ND1 2.97Å; Y266-H348 HydrophobicContact CD2-CB 3.87Å; Y266-H348 AromaticContact CD2-CD2 3.59Å; Y266-H348 AromaticContact CD2-CE1 3.88Å; Y266-H348 AromaticContact CD2-CG 3.37Å; Y266-H348 AromaticContact CD2-ND1 3.57Å; Y266-H348 AromaticContact CD2-NE2 3.91Å; Y266-H348 HydrophobicContact CE2-CB 3.88Å; Y266-H348 AromaticContact CE2-CG 3.86Å; Y266-H348 AromaticContact CG-ND1 3.82Å; S344-H348 PolarHBondContact O-N 3.03Å; S344-H348 VanDerWaalsContact O-N 3.07Å; T345-H348 PolarHBondContact O-N 3.46Å; H348-A350 PolarHBondContact O-N 3.06Å; H348-D351 PolarHBondContact O-N 3.36Å; H348-D352 IonicContact CE1-OD1 3.67Å; H348-D352 PolarHBondContact CE1-OD1 3.1Å; H348-D352 IonicContact CE1-OD2 3.77Å; H348-D352 PolarHBondContact CE1-OD2 2.86Å; H348-D352 IonicContact ND1-OD1 3.69Å; H348-D352 IonicContact ND1-OD2 2.86Å; H348-D352 PolarHBondContact ND1-OD2 2.76Å; H348-D352 PolarHBondContact O-N 3.29Å
349	L	95.9	Very high	92.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-46.2	176.8	-176.7	60.2	0	0	0	111.3	F249 A253 L257 I259 Y264 L281 W288 T345 D352 C353	F249-L349 HydrophobicContact CE1-CD2 4.07Å; F249-L349 HydrophobicContact CE2-CB 4.31Å; F249-L349 HydrophobicContact CE2-CD2 4.04Å; F249-L349 HydrophobicContact CE2-CG 3.82Å; F249-L349 HydrophobicContact CZ-CB 3.99Å; F249-L349 HydrophobicContact CZ-CD2 3.54Å; F249-L349 HydrophobicContact CZ-CG 3.7Å; A253-L349 HydrophobicContact CB-CD1 4.09Å; A253-L349 HydrophobicContact CB-CG 4.47Å; L257-L349 HydrophobicContact CD1-CD1 3.47Å; L257-L349 VanDerWaalsContact CD1-CD1 3.47Å; I259-L349 HydrophobicContact CD1-CD1 4.48Å; Y264-L349 HydrophobicContact CD1-CB 4.44Å; Y264-L349 HydrophobicContact CD1-CD1 4.1Å; Y264-L349 HydrophobicContact CD2-CD1 3.91Å; Y264-L349 HydrophobicContact CE1-CB 3.92Å; Y264-L349 HydrophobicContact CE1-CD1 3.98Å; Y264-L349 HydrophobicContact CE2-CD1 3.81Å; Y264-L349 HydrophobicContact CG-CD1 4.05Å; L281-L349 HydrophobicContact CD1-CD2 4.12Å; L281-L349 HydrophobicContact CD2-CD2 4.24Å; W288-L349 HydrophobicContact CZ3-CD2 3.89Å; T345-L349 WeakPolarHBondContact O-CB 3.47Å; T345-L349 PolarHBondContact O-N 3.26Å; L349-D352 PolarHBondContact O-N 3.22Å; L349-C353 PolarHBondContact O-N 3.06Å; L349-C353 PolarHBondContact O-SG 2.89Å
350	A	96.1	Very high	92.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-40	176.2	0	0	0	0	0	112.8	F249 I296 V299 H346 H348 M354	F249-A350 HydrophobicContact CE2-CB 4.01Å; F249-A350 HydrophobicContact CZ-CB 4.47Å; I296-A350 HydrophobicContact CD1-CB 4.22Å; V299-A350 HydrophobicContact CG1-CB 3.99Å; H346-A350 VanDerWaalsContact O-CB 3.31Å; H346-A350 WeakPolarHBondContact O-CB 3.44Å; H346-A350 PolarHBondContact O-N 2.9Å; H348-A350 PolarHBondContact O-N 3.06Å; A350-M354 WeakPolarHBondContact O-CG 3.4Å; A350-M354 PolarHBondContact O-N 3.18Å
351	D	94.4	Very high	93.1	Very high	69 Å²	69	41.4 Å²	41.4	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-43	176.3	-173.7	48.7	0	0	0	111.6	L347 H348 M354 K355	L347-D351 WeakPolarHBondContact O-CB 3.37Å; L347-D351 PolarHBondContact O-N 3.13Å; H348-D351 PolarHBondContact O-N 3.36Å; D351-M354 PolarHBondContact O-N 3.24Å; D351-K355 WeakPolarHBondContact O-CG 3.35Å; D351-K355 PolarHBondContact O-N 3.49Å; D351-K355 WeakPolarHBondContact OD2-CE 3.49Å; D351-K355 IonicContact OD2-NZ 2.72Å; D351-K355 PolarHBondContact OD2-NZ 3.26Å
352	D	95.9	Very high	93.5	Very high	30 Å²	30	43.4 Å²	43.4	16%	0.16	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-41.9	177.2	-74.6	-10.1	0	0	0	112.5	L257 Y264 H348 L349 M354 K355 R356	L257-D352 HydrophobicContact CD1-CB 4.11Å; L257-D352 HydrophobicContact CD2-CB 3.98Å; Y264-D352 PolarHBondContact OH-OD2 3.02Å; H348-D352 IonicContact CE1-OD1 3.67Å; H348-D352 PolarHBondContact CE1-OD1 3.1Å; H348-D352 IonicContact CE1-OD2 3.77Å; H348-D352 PolarHBondContact CE1-OD2 2.86Å; H348-D352 IonicContact ND1-OD1 3.69Å; H348-D352 IonicContact ND1-OD2 2.86Å; H348-D352 PolarHBondContact ND1-OD2 2.76Å; H348-D352 PolarHBondContact O-N 3.29Å; L349-D352 PolarHBondContact O-N 3.22Å; D352-M354 VanDerWaalsContact C-N 3.3Å; D352-M354 PolarHBondContact O-N 2.85Å; D352-K355 PolarHBondContact O-N 3.16Å; D352-K355 IonicContact OD1-NZ 3.29Å; D352-K355 PolarHBondContact OD1-NZ 3.27Å; D352-R356 PolarHBondContact O-N 3.39Å
353	C	97.3	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-47.3	170.4	-71.9	0	0	0	0	111	M252 I296 L349 K355 R356 F357	M252-C353 HydrophobicContact CE-CB 4.05Å; M252-C353 HydrophobicContact CG-CB 4.39Å; M252-C353 HydrophobicContact SD-CB 4.04Å; I296-C353 HydrophobicContact CD1-CB 4.1Å; L349-C353 PolarHBondContact O-N 3.06Å; L349-C353 PolarHBondContact O-SG 2.89Å; C353-K355 PolarHBondContact O-N 3.48Å; C353-R356 PolarHBondContact O-N 3.05Å; C353-F357 VanDerWaalsContact O-CB 3.26Å; C353-F357 WeakPolarHBondContact O-CB 3.26Å; C353-F357 PolarHBondContact O-N 2.89Å
354	M	95.8	Very high	94	Very high	51 Å²	51	47 Å²	47	25%	0.251	23%	0.23	S	C	.	.	H	α-helix	trans	-68.3	-31.4	-179.9	-72.2	-57.7	-59.6	0	0	113.5	I296 A350 D351 D352 F357 K358	I296-M354 HydrophobicContact CG1-CG 4.08Å; I296-M354 HydrophobicContact CG1-SD 3.61Å; I296-M354 HydrophobicContact CG2-SD 4.27Å; A350-M354 WeakPolarHBondContact O-CG 3.4Å; A350-M354 PolarHBondContact O-N 3.18Å; D351-M354 PolarHBondContact O-N 3.24Å; D352-M354 VanDerWaalsContact C-N 3.3Å; D352-M354 PolarHBondContact O-N 2.85Å; M354-F357 HydrophobicContact CE-CD1 4.04Å; M354-F357 HydrophobicContact SD-CD1 4.4Å; M354-K358 VanDerWaalsContact O-CG 3.27Å; M354-K358 WeakPolarHBondContact O-CG 3.44Å; M354-K358 PolarHBondContact O-N 2.97Å; M354-K358 VanDerWaalsContact O-N 3.16Å
355	K	95.9	Very high	94.4	Very high	110 Å²	110	45.6 Å²	45.6	48%	0.478	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-43.9	173.1	-74.1	171.6	-163	144.3	0	111.6	D351 D352 C353	D351-K355 WeakPolarHBondContact O-CG 3.35Å; D351-K355 PolarHBondContact O-N 3.49Å; D351-K355 WeakPolarHBondContact OD2-CE 3.49Å; D351-K355 IonicContact OD2-NZ 2.72Å; D351-K355 PolarHBondContact OD2-NZ 3.26Å; D352-K355 PolarHBondContact O-N 3.16Å; D352-K355 IonicContact OD1-NZ 3.29Å; D352-K355 PolarHBondContact OD1-NZ 3.27Å; C353-K355 PolarHBondContact O-N 3.48Å
356	R	95.1	Very high	94.6	Very high	139 Å²	139	46.6 Å²	46.6	53%	0.525	23%	0.231	S	C	.	.	H	α-helix	trans	-70.6	-34.3	177.5	-66.5	-59.1	-166.8	123.5	5.5	112.4	L256 L257 D352 C353 V361	L256-R356 HydrophobicContact CB-CB 4.04Å; L256-R356 HydrophobicContact CD1-CB 4.19Å; L257-R356 HydrophobicContact CD2-CG 3.74Å; D352-R356 PolarHBondContact O-N 3.39Å; C353-R356 PolarHBondContact O-N 3.05Å; R356-V361 WeakPolarHBondContact O-CG2 3.4Å
357	F	95.6	Very high	94.7	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.075	24%	0.237	C	C	.	.	I	π-helix	trans	-66.2	-45.8	178.8	176.6	-106.4	0	0	0	113.4	L247 M252 L256 C353 M354 G359 V361 E362 L472	L247-F357 HydrophobicContact CD1-CE2 4.02Å; L247-F357 HydrophobicContact CD1-CZ 4.35Å; L247-F357 HydrophobicContact CD2-CD2 3.77Å; L247-F357 HydrophobicContact CD2-CE2 3.63Å; M252-F357 HydrophobicContact CE-CB 3.47Å; M252-F357 VanDerWaalsContact CE-CB 3.47Å; M252-F357 HydrophobicContact CE-CD2 3.9Å; M252-F357 HydrophobicContact CE-CG 3.82Å; L256-F357 HydrophobicContact CD1-CB 4.49Å; C353-F357 VanDerWaalsContact O-CB 3.26Å; C353-F357 WeakPolarHBondContact O-CB 3.26Å; C353-F357 PolarHBondContact O-N 2.89Å; M354-F357 HydrophobicContact CE-CD1 4.04Å; M354-F357 HydrophobicContact SD-CD1 4.4Å; F357-G359 PolarHBondContact O-N 3.17Å; F357-V361 HydrophobicContact CD2-CB 4.42Å; F357-V361 HydrophobicContact CD2-CG1 3.94Å; F357-E362 HydrophobicContact CD1-CB 4.42Å; F357-E362 HydrophobicContact CE1-CB 3.91Å; F357-E362 HydrophobicContact CE1-CG 3.97Å; F357-E362 HydrophobicContact CE2-CB 4.01Å; F357-E362 HydrophobicContact CE2-CG 4.49Å; F357-E362 HydrophobicContact CZ-CB 3.68Å; F357-E362 HydrophobicContact CZ-CG 3.74Å; F357-E362 PolarHBondContact O-N 3.47Å; F357-L472 HydrophobicContact CE2-CD1 4.39Å; F357-L472 HydrophobicContact CZ-CD1 3.83Å
358	K	93.4	Very high	95	Very high	143 Å²	143	47 Å²	47	62%	0.622	23%	0.234	S	C	*	.	I	π-helix	trans	-63	125.4	-175.4	-77.2	173.8	-178.5	178.5	0	111.4	M354	M354-K358 VanDerWaalsContact O-CG 3.27Å; M354-K358 WeakPolarHBondContact O-CG 3.44Å; M354-K358 PolarHBondContact O-N 2.97Å; M354-K358 VanDerWaalsContact O-N 3.16Å
359	G	89.4	Confident	95.2	Very high	39 Å²	39	45 Å²	45	40%	0.402	22%	0.224	S	C	.	.	I	π-helix	trans	110.2	-89	174.1	0	0	0	0	0	113.2	F357 K363	F357-G359 PolarHBondContact O-N 3.17Å; G359-K363 WeakPolarHBondContact O-CD 3.28Å; G359-K363 WeakPolarHBondContact O-CE 3.29Å; G359-K363 WeakPolarHBondContact O-CG 3.44Å
360	S	90.1	Very high	95.3	Very high	40 Å²	40	46.3 Å²	46.3	28%	0.28	23%	0.232	S	C	.	.	I	π-helix	trans	-81.6	-55.4	-175.4	-171.5	0	0	0	0	112	E362 K363 L364	S360-E362 PolarHBondContact O-N 2.86Å; S360-K363 WeakPolarHBondContact O-CB 3.36Å; S360-K363 PolarHBondContact O-N 3.15Å; S360-L364 WeakPolarHBondContact O-CG 3.37Å; S360-L364 PolarHBondContact O-N 3.19Å; S360-L364 VanDerWaalsContact O-N 3.07Å
361	V	94.5	Very high	95.3	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.073	23%	0.232	C	C	.	.	I	π-helix	trans	-60.5	-41.9	-174.5	177.1	0	0	0	0	112	L256 R356 F357 K363 L364 C365	L256-V361 HydrophobicContact CD1-CG1 4.39Å; L256-V361 HydrophobicContact CD2-CG1 4.11Å; L256-V361 HydrophobicContact CD2-CG2 3.98Å; R356-V361 WeakPolarHBondContact O-CG2 3.4Å; F357-V361 HydrophobicContact CD2-CB 4.42Å; F357-V361 HydrophobicContact CD2-CG1 3.94Å; V361-K363 PolarHBondContact O-N 2.96Å; V361-L364 WeakPolarHBondContact O-CA 3.47Å; V361-L364 WeakPolarHBondContact O-CB 3.4Å; V361-L364 PolarHBondContact O-N 2.85Å; V361-C365 PolarHBondContact O-N 3.08Å; V361-C365 PolarHBondContact O-SG 3.3Å; V361-C365 VanDerWaalsContact O-SG 3.34Å
362	E	94.8	Very high	95.3	Very high	93 Å²	93	43.6 Å²	43.6	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-53.1	-41.7	174.9	179.8	177.6	-164.6	0	0	112.9	F357 S360 G366 L472	F357-E362 HydrophobicContact CD1-CB 4.42Å; F357-E362 HydrophobicContact CE1-CB 3.91Å; F357-E362 HydrophobicContact CE1-CG 3.97Å; F357-E362 HydrophobicContact CE2-CB 4.01Å; F357-E362 HydrophobicContact CE2-CG 4.49Å; F357-E362 HydrophobicContact CZ-CB 3.68Å; F357-E362 HydrophobicContact CZ-CG 3.74Å; F357-E362 PolarHBondContact O-N 3.47Å; S360-E362 PolarHBondContact O-N 2.86Å; E362-G366 PolarHBondContact O-N 3.22Å; E362-L472 HydrophobicContact CG-CD1 4.32Å
363	K	94.3	Very high	95.2	Very high	150 Å²	150	44 Å²	44	65%	0.652	22%	0.22	S	C	*	.	H	α-helix	trans	-71.9	-38.4	177.1	-62.8	174	-174	174.9	0	111.6	G359 S360 V361 G366 V367	G359-K363 WeakPolarHBondContact O-CD 3.28Å; G359-K363 WeakPolarHBondContact O-CE 3.29Å; G359-K363 WeakPolarHBondContact O-CG 3.44Å; S360-K363 WeakPolarHBondContact O-CB 3.36Å; S360-K363 PolarHBondContact O-N 3.15Å; V361-K363 PolarHBondContact O-N 2.96Å; K363-G366 PolarHBondContact O-N 3.03Å; K363-V367 PolarHBondContact O-N 3.09Å
364	L	96.3	Very high	95.1	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-48.3	176.3	-65.5	174.6	0	0	0	110.6	S360 V361 G366 V367 E368 V392 V398 D402 V406	S360-L364 WeakPolarHBondContact O-CG 3.37Å; S360-L364 PolarHBondContact O-N 3.19Å; S360-L364 VanDerWaalsContact O-N 3.07Å; V361-L364 WeakPolarHBondContact O-CA 3.47Å; V361-L364 WeakPolarHBondContact O-CB 3.4Å; V361-L364 PolarHBondContact O-N 2.85Å; L364-G366 PolarHBondContact O-N 2.64Å; L364-V367 PolarHBondContact O-N 3.39Å; L364-V367 VanDerWaalsContact O-N 3.07Å; L364-E368 WeakPolarHBondContact O-CB 3.41Å; L364-E368 VanDerWaalsContact O-CG 3.28Å; L364-E368 WeakPolarHBondContact O-CG 3.31Å; L364-E368 PolarHBondContact O-N 3.36Å; L364-V392 HydrophobicContact CD2-CG1 3.44Å; L364-V392 VanDerWaalsContact CD2-CG1 3.44Å; L364-V392 HydrophobicContact CD2-CG2 4.3Å; L364-V398 HydrophobicContact CD1-CG1 4.41Å; L364-V398 HydrophobicContact CD2-CG1 4.17Å; L364-D402 HydrophobicContact CD1-CB 3.71Å; L364-V406 HydrophobicContact CD2-CG2 4.19Å
365	C	97.4	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-53.4	-40.9	177.4	-67.8	0	0	0	0	112.1	H245 V361 E368 Q369 L472	H245-C365 VanDerWaalsContact CB-SG 3.54Å; V361-C365 PolarHBondContact O-N 3.08Å; V361-C365 PolarHBondContact O-SG 3.3Å; V361-C365 VanDerWaalsContact O-SG 3.34Å; C365-E368 PolarHBondContact O-N 2.98Å; C365-Q369 WeakPolarHBondContact O-CB 3.2Å; C365-Q369 WeakPolarHBondContact O-CG 3.31Å; C365-Q369 PolarHBondContact O-N 3.47Å; C365-L472 HydrophobicContact CB-CB 4.21Å; C365-L472 HydrophobicContact CB-CD1 4.24Å; C365-L472 HydrophobicContact CB-CD2 4.17Å; C365-L472 HydrophobicContact CB-CG 4.44Å
366	G	95.8	Very high	94.8	Very high	22 Å²	22	40.4 Å²	40.4	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-52.2	176.8	0	0	0	0	0	112.1	E362 K363 L364 Q369 D370	E362-G366 PolarHBondContact O-N 3.22Å; K363-G366 PolarHBondContact O-N 3.03Å; L364-G366 PolarHBondContact O-N 2.64Å; G366-Q369 PolarHBondContact O-N 3.23Å; G366-D370 PolarHBondContact O-N 2.8Å; G366-D370 VanDerWaalsContact O-N 3.15Å
367	V	97.1	Very high	94.6	Very high	21 Å²	21	36 Å²	36	13%	0.127	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-42.7	178.5	177.4	0	0	0	0	111.4	K363 L364 D370 L371 L388 I389 V392 V406	K363-V367 PolarHBondContact O-N 3.09Å; L364-V367 PolarHBondContact O-N 3.39Å; L364-V367 VanDerWaalsContact O-N 3.07Å; V367-D370 PolarHBondContact O-N 3.25Å; V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.32Å; V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 VanDerWaalsContact O-CG 3.24Å; V367-L371 WeakPolarHBondContact O-CG 3.36Å; V367-L371 PolarHBondContact O-N 3.04Å; V367-L388 HydrophobicContact CG1-CB 4.24Å; V367-I389 HydrophobicContact CG1-CG2 4.3Å; V367-V392 HydrophobicContact CG2-CG2 4.16Å; V367-V406 HydrophobicContact CG1-CG1 4.06Å
368	E	97.9	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-44.4	179.8	-73.6	-177.9	-176	0	0	112.4	L244 H245 L364 C365 L371 A372 V406 L409	L244-E368 HydrophobicContact CD2-CB 3.81Å; H245-E368 WeakPolarHBondContact CB-OE2 3.37Å; H245-E368 IonicContact CE1-OE1 3.03Å; H245-E368 PolarHBondContact CE1-OE1 2.96Å; H245-E368 IonicContact CG-OE1 3.66Å; H245-E368 IonicContact CG-OE2 3.91Å; H245-E368 PolarHBondContact N-OE2 2.89Å; H245-E368 VanDerWaalsContact ND1-CD 3.31Å; H245-E368 IonicContact ND1-OE1 2.77Å; H245-E368 PolarHBondContact ND1-OE1 3.17Å; H245-E368 IonicContact ND1-OE2 2.74Å; H245-E368 PolarHBondContact ND1-OE2 2.98Å; L364-E368 WeakPolarHBondContact O-CB 3.41Å; L364-E368 VanDerWaalsContact O-CG 3.28Å; L364-E368 WeakPolarHBondContact O-CG 3.31Å; L364-E368 PolarHBondContact O-N 3.36Å; C365-E368 PolarHBondContact O-N 2.98Å; E368-L371 PolarHBondContact O-N 2.88Å; E368-A372 VanDerWaalsContact O-CB 3.28Å; E368-A372 WeakPolarHBondContact O-CB 3.43Å; E368-A372 PolarHBondContact O-N 3.18Å; E368-V406 HydrophobicContact CG-CG2 4.1Å; E368-L409 HydrophobicContact CB-CD1 3.91Å; E368-L409 HydrophobicContact CG-CD1 3.67Å
369	Q	96.9	Very high	94	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-41.7	177.7	-67.3	-65.5	-47.1	0	0	111.2	C365 G366 L371 A372 M373 L472	C365-Q369 WeakPolarHBondContact O-CB 3.2Å; C365-Q369 WeakPolarHBondContact O-CG 3.31Å; C365-Q369 PolarHBondContact O-N 3.47Å; G366-Q369 PolarHBondContact O-N 3.23Å; Q369-L371 VanDerWaalsContact C-N 3.3Å; Q369-L371 PolarHBondContact O-N 2.99Å; Q369-A372 PolarHBondContact O-N 3.39Å; Q369-M373 WeakPolarHBondContact O-CB 3.39Å; Q369-M373 WeakPolarHBondContact O-CG 3.44Å; Q369-M373 PolarHBondContact O-N 2.85Å; Q369-L472 WeakPolarHBondContact CG-O 3.42Å; Q369-L472 PolarHBondContact NE2-O 2.83Å
370	D	96.4	Very high	94.1	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.15	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-40.5	175.6	-70.4	-9.6	0	0	0	111.8	G366 V367 G374 D376 I382 L388 R474	G366-D370 PolarHBondContact O-N 2.8Å; G366-D370 VanDerWaalsContact O-N 3.15Å; V367-D370 PolarHBondContact O-N 3.25Å; D370-G374 VanDerWaalsContact O-CA 3.31Å; D370-G374 WeakPolarHBondContact O-CA 3.49Å; D370-G374 PolarHBondContact O-N 3.12Å; D370-D376 WeakPolarHBondContact OD1-CA 3.48Å; D370-I382 HydrophobicContact CB-CD1 4.01Å; D370-I382 HydrophobicContact CB-CG1 4.23Å; D370-L388 HydrophobicContact CB-CD1 4.01Å; D370-R474 IonicContact OD1-CZ 2.79Å; D370-R474 IonicContact OD1-NH2 2.64Å; D370-R474 PolarHBondContact OD1-NH2 2.98Å
371	L	96.8	Very high	94.3	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-70.2	-42.6	177.6	-68.9	173.9	0	0	0	112.6	V367 E368 Q369 A385 I389 V406 L409 Y410 L413	V367-L371 HydrophobicContact CG1-CD1 3.91Å; V367-L371 HydrophobicContact CG1-CG 4.32Å; V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 VanDerWaalsContact O-CG 3.24Å; V367-L371 WeakPolarHBondContact O-CG 3.36Å; V367-L371 PolarHBondContact O-N 3.04Å; E368-L371 PolarHBondContact O-N 2.88Å; Q369-L371 VanDerWaalsContact C-N 3.3Å; Q369-L371 PolarHBondContact O-N 2.99Å; L371-A385 HydrophobicContact CD2-CB 4.06Å; L371-I389 HydrophobicContact CD1-CG2 3.77Å; L371-I389 HydrophobicContact CD2-CG2 4.22Å; L371-V406 HydrophobicContact CD1-CG1 3.94Å; L371-L409 HydrophobicContact CB-CB 4.09Å; L371-L409 HydrophobicContact CD1-CB 4.07Å; L371-Y410 HydrophobicContact CD2-CD2 4.37Å; L371-L413 HydrophobicContact CD2-CD2 3.84Å
372	A	95.5	Very high	94.2	Very high	11 Å²	11	49 Å²	49	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-42.1	-179.4	0	0	0	0	0	112	V240 L244 E368 Q369 W475	V240-A372 HydrophobicContact CG1-CB 3.86Å; L244-A372 HydrophobicContact CD1-CB 4.18Å; L244-A372 HydrophobicContact CD2-CB 4.03Å; E368-A372 VanDerWaalsContact O-CB 3.28Å; E368-A372 WeakPolarHBondContact O-CB 3.43Å; E368-A372 PolarHBondContact O-N 3.18Å; Q369-A372 PolarHBondContact O-N 3.39Å; A372-W475 HydrophobicContact CB-CD2 4.26Å; A372-W475 HydrophobicContact CB-CE3 3.76Å; A372-W475 HydrophobicContact CB-CZ3 4.28Å; A372-W475 WeakPolarHBondContact O-CZ3 3.4Å
373	M	94	Very high	93.9	Very high	37 Å²	37	54.2 Å²	54.2	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-81.2	-23.1	-179.5	-60.3	-62	-73.6	0	0	112.8	Q369 S375 R474 W475	Q369-M373 WeakPolarHBondContact O-CB 3.39Å; Q369-M373 WeakPolarHBondContact O-CG 3.44Å; Q369-M373 PolarHBondContact O-N 2.85Å; M373-S375 PolarHBondContact O-N 2.99Å; M373-S375 PolarHBondContact O-OG 3.16Å; M373-R474 HydrophobicContact CE-CB 3.99Å; M373-R474 HydrophobicContact CG-CB 4.05Å; M373-R474 HydrophobicContact SD-CB 4.13Å; M373-W475 HydrophobicContact SD-CB 4.38Å; M373-W475 HydrophobicContact SD-CE3 4.1Å
374	G	93.3	Very high	93.8	Very high	16 Å²	16	51.4 Å²	51.4	17%	0.165	28%	0.279	C	S	.	.	S	Bend	trans	68.1	9.9	-172.1	0	0	0	0	0	114	D370 I382	D370-G374 VanDerWaalsContact O-CA 3.31Å; D370-G374 WeakPolarHBondContact O-CA 3.49Å; D370-G374 PolarHBondContact O-N 3.12Å; G374-I382 PolarHBondContact O-N 3.12Å; G374-I382 VanDerWaalsContact O-N 3.08Å
375	S	93.4	Very high	93.6	Very high	28 Å²	28	51.8 Å²	51.8	20%	0.196	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-145.9	150.8	-179.2	46.9	0	0	0	0	110.9	M373 E380 R474	M373-S375 PolarHBondContact O-N 2.99Å; M373-S375 PolarHBondContact O-OG 3.16Å; S375-E380 CarbonylContact C-O 3.57Å; S375-E380 WeakPolarHBondContact CA-O 3.45Å; S375-E380 WeakPolarHBondContact CB-O 3.33Å; S375-R474 PolarHBondContact O-NH1 3.03Å; S375-R474 PolarHBondContact O-NH2 2.97Å
376	D	93.1	Very high	93.4	Very high	43 Å²	43	54.7 Å²	54.7	23%	0.23	30%	0.297	C	S	.	.			trans	-75.9	177.6	174.6	65	19.1	0	0	0	112.4	D370 E378 G379 E380 I382 R474	D370-D376 WeakPolarHBondContact OD1-CA 3.48Å; D376-E378 PolarHBondContact O-N 3.39Å; D376-E378 VanDerWaalsContact O-N 3.16Å; D376-E378 PolarHBondContact OD1-N 3.21Å; D376-G379 PolarHBondContact O-N 3.47Å; D376-G379 PolarHBondContact OD1-N 3.37Å; D376-G379 VanDerWaalsContact OD1-N 3.13Å; D376-E380 PolarHBondContact N-O 2.94Å; D376-E380 WeakPolarHBondContact OD1-CB 3.46Å; D376-E380 PolarHBondContact OD1-N 2.73Å; D376-E380 WeakPolarHBondContact OD2-CB 3.47Å; D376-I382 HydrophobicContact CB-CD1 4.03Å; D376-R474 PolarHBondContact O-NH1 3.03Å
377	A	90.3	Very high	93.3	Very high	45 Å²	45	61.2 Å²	61.2	37%	0.372	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.5	-175.3	0	0	0	0	0	113.3	G379 Q471	A377-G379 VanDerWaalsContact C-N 3.34Å; A377-Q471 HydrophobicContact CB-CG 4.41Å
378	E	89.1	Confident	93.1	Very high	144 Å²	144	62.4 Å²	62.4	67%	0.673	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.6	176	-65	69.8	-153.6	0	0	112.9	D376	D376-E378 PolarHBondContact O-N 3.39Å; D376-E378 VanDerWaalsContact O-N 3.16Å; D376-E378 PolarHBondContact OD1-N 3.21Å
379	G	87.9	Confident	93	Very high	52 Å²	52	62.4 Å²	62.4	54%	0.536	33%	0.325	S	S	.	.	S	Bend	trans	89.7	6.4	-178.8	0	0	0	0	0	113.7	D376 A377	D376-G379 PolarHBondContact O-N 3.47Å; D376-G379 PolarHBondContact OD1-N 3.37Å; D376-G379 VanDerWaalsContact OD1-N 3.13Å; A377-G379 VanDerWaalsContact C-N 3.34Å
380	E	92.1	Very high	92.9	Very high	126 Å²	126	64.9 Å²	64.9	59%	0.589	34%	0.34	S	S	*	.			trans	-77.4	133.6	177.7	-67.3	-68.7	145.6	0	0	110.3	S375 D376 I382	S375-E380 CarbonylContact C-O 3.57Å; S375-E380 WeakPolarHBondContact CA-O 3.45Å; S375-E380 WeakPolarHBondContact CB-O 3.33Å; D376-E380 PolarHBondContact N-O 2.94Å; D376-E380 WeakPolarHBondContact OD1-CB 3.46Å; D376-E380 PolarHBondContact OD1-N 2.73Å; D376-E380 WeakPolarHBondContact OD2-CB 3.47Å; E380-I382 PolarHBondContact O-N 2.72Å
381	K	93.3	Very high	92.8	Very high	170 Å²	170	67.4 Å²	67.4	74%	0.739	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-64.3	133.5	-177.2	-172.7	174.7	-178.3	173	0	111.2	K383	K381-K383 PolarHBondContact O-N 2.64Å; K381-K383 VanDerWaalsContact O-N 3.13Å
382	I	92.8	Very high	92.8	Very high	34 Å²	34	68.1 Å²	68.1	17%	0.174	36%	0.362	C	S	.	.			trans	-64.9	115.8	177.2	-58.2	-53.9	0	0	0	110.2	D370 G374 D376 E380 A385 L388	D370-I382 HydrophobicContact CB-CD1 4.01Å; D370-I382 HydrophobicContact CB-CG1 4.23Å; G374-I382 PolarHBondContact O-N 3.12Å; G374-I382 VanDerWaalsContact O-N 3.08Å; D376-I382 HydrophobicContact CB-CD1 4.03Å; E380-I382 PolarHBondContact O-N 2.72Å; I382-A385 HydrophobicContact CG2-CB 4.04Å; I382-L388 HydrophobicContact CD1-CD1 4.23Å; I382-L388 HydrophobicContact CG1-CD1 4.44Å; I382-L388 HydrophobicContact CG2-CD1 3.72Å
383	K	88.5	Confident	92.7	Very high	202 Å²	202	67.7 Å²	67.7	88%	0.878	36%	0.358	S	S	*	.	S	Bend	trans	-82.8	-43.3	-179.1	-66	178.1	-177.1	169.2	0	112.8	K381	K381-K383 PolarHBondContact O-N 2.64Å; K381-K383 VanDerWaalsContact O-N 3.13Å
384	D	91.4	Very high	92.8	Very high	90 Å²	90	70.9 Å²	70.9	48%	0.481	38%	0.376	S	S	.	.			trans	-130.8	86.2	-177.8	-173.4	-3.9	0	0	0	110.6	M386 K387	D384-M386 PolarHBondContact O-N 2.71Å; D384-M386 VanDerWaalsContact OD1-CB 3.32Å; D384-M386 WeakPolarHBondContact OD1-CB 3.34Å; D384-M386 PolarHBondContact OD1-N 2.88Å; D384-M386 VanDerWaalsContact OD1-N 3.08Å; D384-K387 HydrophobicContact CB-CB 4.29Å; D384-K387 PolarHBondContact O-N 3.36Å; D384-K387 PolarHBondContact OD1-N 3.01Å
385	A	92.8	Very high	92.9	Very high	12 Å²	12	73.3 Å²	73.3	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-22.6	177.4	0	0	0	0	0	112.7	L371 I382 K387 L388 I389 Y410 L413	L371-A385 HydrophobicContact CD2-CB 4.06Å; I382-A385 HydrophobicContact CG2-CB 4.04Å; A385-K387 VanDerWaalsContact C-N 3.35Å; A385-L388 WeakPolarHBondContact O-CB 3.26Å; A385-L388 PolarHBondContact O-N 3.35Å; A385-I389 PolarHBondContact O-N 2.95Å; A385-Y410 HydrophobicContact CB-CD2 3.95Å; A385-Y410 HydrophobicContact CB-CE2 3.93Å; A385-L413 HydrophobicContact CB-CD2 4.13Å
386	M	92.8	Very high	92.9	Very high	61 Å²	61	76.7 Å²	76.7	30%	0.3	42%	0.415	S	S	.	.	H	α-helix	trans	-66.8	-40.8	178.2	-171.2	61	67.3	0	0	110.8	D384 L388 I389 V390 Y410 L425	D384-M386 PolarHBondContact O-N 2.71Å; D384-M386 VanDerWaalsContact OD1-CB 3.32Å; D384-M386 WeakPolarHBondContact OD1-CB 3.34Å; D384-M386 PolarHBondContact OD1-N 2.88Å; D384-M386 VanDerWaalsContact OD1-N 3.08Å; M386-L388 PolarHBondContact O-N 3.12Å; M386-I389 WeakPolarHBondContact O-CG1 3.46Å; M386-I389 PolarHBondContact O-N 3.39Å; M386-I389 HydrophobicContact SD-CD1 3.9Å; M386-I389 HydrophobicContact SD-CG1 4.02Å; M386-V390 HydrophobicContact CG-CG2 3.89Å; M386-V390 VanDerWaalsContact O-CG2 3.28Å; M386-V390 WeakPolarHBondContact O-CG2 3.38Å; M386-V390 PolarHBondContact O-N 3.18Å; M386-V390 HydrophobicContact SD-CG2 3.84Å; M386-Y410 HydrophobicContact CE-CE1 4.19Å; M386-Y410 HydrophobicContact CE-CE2 4.37Å; M386-Y410 VanDerWaalsContact CE-OH 3.25Å; M386-Y410 WeakPolarHBondContact CE-OH 3.33Å; M386-L425 HydrophobicContact CE-CD2 4.05Å; M386-L425 HydrophobicContact SD-CD2 3.82Å
387	K	93.6	Very high	92.9	Very high	159 Å²	159	78.8 Å²	78.8	69%	0.691	43%	0.433	S	S	*	.	H	α-helix	trans	-59.8	-29.8	176.5	-173	179.9	177	-173.5	0	112.9	D384 A385 P391	D384-K387 HydrophobicContact CB-CB 4.29Å; D384-K387 PolarHBondContact O-N 3.36Å; D384-K387 PolarHBondContact OD1-N 3.01Å; A385-K387 VanDerWaalsContact C-N 3.35Å; K387-P391 VanDerWaalsContact O-CD 3.24Å; K387-P391 WeakPolarHBondContact O-CD 3.48Å
388	L	93.7	Very high	93.2	Very high	46 Å²	46	77.1 Å²	77.1	24%	0.241	42%	0.418	C	S	.	.	H	α-helix	trans	-73.6	-42.6	177.4	-61.1	177.9	0	0	0	112	V367 D370 I382 A385 M386	V367-L388 HydrophobicContact CG1-CB 4.24Å; D370-L388 HydrophobicContact CB-CD1 4.01Å; I382-L388 HydrophobicContact CD1-CD1 4.23Å; I382-L388 HydrophobicContact CG1-CD1 4.44Å; I382-L388 HydrophobicContact CG2-CD1 3.72Å; A385-L388 WeakPolarHBondContact O-CB 3.26Å; A385-L388 PolarHBondContact O-N 3.35Å; M386-L388 PolarHBondContact O-N 3.12Å
389	I	95.4	Very high	93.5	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-84.7	-33.6	-172.2	67.7	174.8	0	0	0	113.5	V367 L371 A385 M386 V392 L393 V406 Y410 L425	V367-I389 HydrophobicContact CG1-CG2 4.3Å; L371-I389 HydrophobicContact CD1-CG2 3.77Å; L371-I389 HydrophobicContact CD2-CG2 4.22Å; A385-I389 PolarHBondContact O-N 2.95Å; M386-I389 WeakPolarHBondContact O-CG1 3.46Å; M386-I389 PolarHBondContact O-N 3.39Å; M386-I389 HydrophobicContact SD-CD1 3.9Å; M386-I389 HydrophobicContact SD-CG1 4.02Å; I389-V392 WeakPolarHBondContact O-CB 3.35Å; I389-V392 PolarHBondContact O-N 3.18Å; I389-L393 HydrophobicContact CD1-CD1 4.26Å; I389-L393 HydrophobicContact CG1-CD1 4.36Å; I389-L393 WeakPolarHBondContact O-CG 3.21Å; I389-L393 PolarHBondContact O-N 3.21Å; I389-V406 HydrophobicContact CB-CG1 4.03Å; I389-V406 HydrophobicContact CG2-CG1 3.6Å; I389-Y410 HydrophobicContact CD1-CD1 3.82Å; I389-Y410 HydrophobicContact CD1-CD2 3.77Å; I389-Y410 HydrophobicContact CD1-CE1 4.22Å; I389-Y410 HydrophobicContact CD1-CE2 4.17Å; I389-Y410 HydrophobicContact CD1-CG 3.58Å; I389-L425 HydrophobicContact CD1-CD2 3.96Å
390	V	94.6	Very high	93.9	Very high	56 Å²	56	73.4 Å²	73.4	34%	0.339	40%	0.397	S	S	.	.	H	α-helix	trans	-54.8	-44.6	-174.7	166.9	0	0	0	0	113.1	M386 V392 L393 L394	M386-V390 HydrophobicContact CG-CG2 3.89Å; M386-V390 VanDerWaalsContact O-CG2 3.28Å; M386-V390 WeakPolarHBondContact O-CG2 3.38Å; M386-V390 PolarHBondContact O-N 3.18Å; M386-V390 HydrophobicContact SD-CG2 3.84Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 3.49Å; V390-L393 PolarHBondContact O-N 3.38Å; V390-L394 HydrophobicContact CG1-CD1 3.68Å; V390-L394 HydrophobicContact CG1-CG 4.26Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 3.3Å
391	P	95.6	Very high	94.2	Very high	82 Å²	82	69.2 Å²	69.2	53%	0.532	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-40.2	175.6	-25.2	35.3	0	0	0	113.3	K387 D395	K387-P391 VanDerWaalsContact O-CD 3.24Å; K387-P391 WeakPolarHBondContact O-CD 3.48Å; P391-D395 WeakPolarHBondContact O-CB 3.39Å; P391-D395 PolarHBondContact O-N 3.23Å
392	V	95.5	Very high	94.4	Very high	16 Å²	16	62.2 Å²	62.2	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-43.2	178.5	178.9	0	0	0	0	111.1	L364 V367 I389 V390 L394 D395 V398 V406	L364-V392 HydrophobicContact CD2-CG1 3.44Å; L364-V392 VanDerWaalsContact CD2-CG1 3.44Å; L364-V392 HydrophobicContact CD2-CG2 4.3Å; V367-V392 HydrophobicContact CG2-CG2 4.16Å; I389-V392 WeakPolarHBondContact O-CB 3.35Å; I389-V392 PolarHBondContact O-N 3.18Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 3.49Å; V392-L394 VanDerWaalsContact C-N 3.34Å; V392-L394 PolarHBondContact O-N 3.16Å; V392-D395 PolarHBondContact O-N 2.76Å; V392-V398 HydrophobicContact CG1-CG1 4.19Å; V392-V398 HydrophobicContact CG1-CG2 4.45Å; V392-V406 HydrophobicContact CG1-CG2 4.28Å
393	L	94.8	Very high	94.7	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-36.8	-178.5	-61.3	-173.5	0	0	0	112	I389 V390 K403 L425 A429	I389-L393 HydrophobicContact CD1-CD1 4.26Å; I389-L393 HydrophobicContact CG1-CD1 4.36Å; I389-L393 WeakPolarHBondContact O-CG 3.21Å; I389-L393 PolarHBondContact O-N 3.21Å; V390-L393 PolarHBondContact O-N 3.38Å; L393-K403 HydrophobicContact CD2-CB 4.1Å; L393-K403 HydrophobicContact CD2-CG 4.5Å; L393-K403 WeakPolarHBondContact O-CE 3.33Å; L393-K403 PolarHBondContact O-NZ 2.73Å; L393-L425 HydrophobicContact CD1-CD2 3.83Å; L393-A429 HydrophobicContact CB-CB 4.09Å; L393-A429 HydrophobicContact CD1-CB 4.43Å; L393-A429 HydrophobicContact CD2-CB 3.91Å; L393-A429 HydrophobicContact CG-CB 4.33Å; L393-A429 WeakPolarHBondContact O-CA 3.43Å
394	L	95.1	Very high	95.1	Very high	105 Å²	105	51.7 Å²	51.7	55%	0.55	30%	0.3	S	S	.	.	H	α-helix	trans	-81	-17.5	180	-64.9	176.9	0	0	0	113.7	V390 V392 A396 H428	V390-L394 HydrophobicContact CG1-CD1 3.68Å; V390-L394 HydrophobicContact CG1-CG 4.26Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 3.3Å; V392-L394 VanDerWaalsContact C-N 3.34Å; V392-L394 PolarHBondContact O-N 3.16Å; L394-A396 PolarHBondContact O-N 2.95Å; L394-H428 HydrophobicContact CD2-CB 4.35Å
395	D	95.2	Very high	95.5	Very high	66 Å²	66	47.6 Å²	47.6	35%	0.353	28%	0.277	S	S	.	.			trans	-70.6	118.4	179.9	-167.9	-23.3	0	0	0	110.8	P391 V392 S397 V398 K403	P391-D395 WeakPolarHBondContact O-CB 3.39Å; P391-D395 PolarHBondContact O-N 3.23Å; V392-D395 PolarHBondContact O-N 2.76Å; D395-S397 VanDerWaalsContact C-N 3.25Å; D395-S397 PolarHBondContact O-N 3.04Å; D395-S397 VanDerWaalsContact OD1-CB 3.32Å; D395-S397 WeakPolarHBondContact OD1-CB 3.48Å; D395-S397 PolarHBondContact OD1-N 2.89Å; D395-S397 PolarHBondContact OD1-OG 2.68Å; D395-S397 PolarHBondContact OD2-OG 2.58Å; D395-V398 HydrophobicContact CB-CG2 3.83Å; D395-V398 PolarHBondContact O-N 3.14Å; D395-K403 WeakPolarHBondContact O-CE 3.43Å; D395-K403 PolarHBondContact O-NZ 2.9Å
396	A	93.7	Very high	95.7	Very high	100 Å²	100	47 Å²	47	83%	0.826	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15.8	179.7	0	0	0	0	0	113.3	L394	L394-A396 PolarHBondContact O-N 2.95Å
397	S	93.1	Very high	96	Very high	86 Å²	86	44.1 Å²	44.1	60%	0.601	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.9	177.2	71.5	0	0	0	0	113.3	D395	D395-S397 VanDerWaalsContact C-N 3.25Å; D395-S397 PolarHBondContact O-N 3.04Å; D395-S397 VanDerWaalsContact OD1-CB 3.32Å; D395-S397 WeakPolarHBondContact OD1-CB 3.48Å; D395-S397 PolarHBondContact OD1-N 2.89Å; D395-S397 PolarHBondContact OD1-OG 2.68Å; D395-S397 PolarHBondContact OD2-OG 2.58Å
398	V	95.8	Very high	96.2	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	23%	0.225	C	C	.	.	S	Bend	trans	-81.9	124.2	178.3	-178.7	0	0	0	0	109.8	L364 V392 D395 D402 K403	L364-V398 HydrophobicContact CD1-CG1 4.41Å; L364-V398 HydrophobicContact CD2-CG1 4.17Å; V392-V398 HydrophobicContact CG1-CG1 4.19Å; V392-V398 HydrophobicContact CG1-CG2 4.45Å; D395-V398 HydrophobicContact CB-CG2 3.83Å; D395-V398 PolarHBondContact O-N 3.14Å; V398-D402 HydrophobicContact CG1-CB 3.7Å; V398-K403 HydrophobicContact CB-CG 4.26Å; V398-K403 HydrophobicContact CG1-CG 3.76Å; V398-K403 VanDerWaalsContact O-CE 3.29Å; V398-K403 WeakPolarHBondContact O-CE 3.41Å
399	P	95.8	Very high	96.3	Very high	63 Å²	63	34.5 Å²	34.5	41%	0.409	21%	0.214	S	C	.	.			trans	-58.6	154	177.5	-24.9	33.9	0	0	0	113.6	Y401 D402 K403	P399-Y401 VanDerWaalsContact C-N 3.34Å; P399-Y401 PolarHBondContact O-N 3.08Å; P399-D402 WeakPolarHBondContact CD-OD2 3.45Å; P399-D402 PolarHBondContact O-N 2.67Å; P399-K403 PolarHBondContact O-N 3.43Å; P399-K403 VanDerWaalsContact O-N 3.16Å
400	P	97.3	Very high	96.4	Very high	55 Å²	55	35.3 Å²	35.3	36%	0.357	22%	0.218	S	C	.	.	H	α-helix	trans	-54.9	-44.2	178.5	-28.3	35.9	0	0	0	114	D402 K403 I404 V431 Y434	P400-D402 VanDerWaalsContact C-N 3.33Å; P400-D402 PolarHBondContact O-N 3.37Å; P400-K403 WeakPolarHBondContact O-CB 3.37Å; P400-K403 PolarHBondContact O-N 2.87Å; P400-I404 VanDerWaalsContact O-CD1 3.26Å; P400-I404 WeakPolarHBondContact O-CD1 3.28Å; P400-I404 VanDerWaalsContact O-CG1 3.26Å; P400-I404 WeakPolarHBondContact O-CG1 3.19Å; P400-I404 PolarHBondContact O-N 3.23Å; P400-V431 HydrophobicContact CB-CG1 4.01Å; P400-Y434 HydrophobicContact CB-CD2 4.11Å; P400-Y434 HydrophobicContact CB-CE2 3.69Å; P400-Y434 HydrophobicContact CG-CE2 4.19Å
401	Y	97.8	Very high	96.4	Very high	39 Å²	39	32.7 Å²	32.7	15%	0.153	20%	0.202	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-176.8	-83.7	31	0	0	0	111.5	P399 I404 R405 Y434 T574 L577 D578	P399-Y401 VanDerWaalsContact C-N 3.34Å; P399-Y401 PolarHBondContact O-N 3.08Å; Y401-I404 HydrophobicContact CD1-CD1 4.23Å; Y401-I404 WeakPolarHBondContact O-CB 3.02Å; Y401-I404 PolarHBondContact O-N 3.47Å; Y401-R405 VanDerWaalsContact O-CG 3.3Å; Y401-R405 WeakPolarHBondContact O-CG 3.15Å; Y401-R405 PolarHBondContact O-N 3.13Å; Y401-Y434 HydrophobicContact CD1-CE1 4.47Å; Y401-Y434 HydrophobicContact CE1-CD1 4.05Å; Y401-Y434 AromaticContact CE1-CE1 3.63Å; Y401-Y434 HydrophobicContact CE1-CE1 3.63Å; Y401-T574 HydrophobicContact CD2-CG2 4.01Å; Y401-T574 HydrophobicContact CE2-CG2 3.9Å; Y401-L577 HydrophobicContact CD2-CB 4.14Å; Y401-L577 HydrophobicContact CD2-CD1 3.61Å; Y401-L577 HydrophobicContact CE2-CB 3.96Å; Y401-L577 HydrophobicContact CE2-CD1 4.28Å; Y401-L577 HydrophobicContact CG-CD1 3.77Å; Y401-D578 PolarHBondContact OH-OD1 2.96Å
402	D	98.1	Very high	96.3	Very high	22 Å²	22	29.3 Å²	29.3	12%	0.118	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-40.9	174.7	-68.3	-16.4	0	0	0	112.2	H245 L364 V398 P399 P400 I404 R405 V406	H245-D402 IonicContact CE1-OD1 3.39Å; H245-D402 PolarHBondContact CE1-OD1 3.05Å; H245-D402 IonicContact NE2-OD1 3.64Å; L364-D402 HydrophobicContact CD1-CB 3.71Å; V398-D402 HydrophobicContact CG1-CB 3.7Å; P399-D402 WeakPolarHBondContact CD-OD2 3.45Å; P399-D402 PolarHBondContact O-N 2.67Å; P400-D402 VanDerWaalsContact C-N 3.33Å; P400-D402 PolarHBondContact O-N 3.37Å; D402-I404 VanDerWaalsContact C-N 3.29Å; D402-I404 PolarHBondContact O-N 3.24Å; D402-R405 PolarHBondContact O-N 2.74Å; D402-R405 IonicContact OD1-NH1 2.84Å; D402-V406 PolarHBondContact O-N 2.71Å; D402-V406 VanDerWaalsContact O-N 3.12Å
403	K	98	Very high	96.2	Very high	16 Å²	16	31.1 Å²	31.1	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-40.1	172.2	-65.2	-175	-178.7	-171.8	0	111.8	L393 D395 V398 P399 P400 L407 A429 V431	L393-K403 HydrophobicContact CD2-CB 4.1Å; L393-K403 HydrophobicContact CD2-CG 4.5Å; L393-K403 WeakPolarHBondContact O-CE 3.33Å; L393-K403 PolarHBondContact O-NZ 2.73Å; D395-K403 WeakPolarHBondContact O-CE 3.43Å; D395-K403 PolarHBondContact O-NZ 2.9Å; V398-K403 HydrophobicContact CB-CG 4.26Å; V398-K403 HydrophobicContact CG1-CG 3.76Å; V398-K403 VanDerWaalsContact O-CE 3.29Å; V398-K403 WeakPolarHBondContact O-CE 3.41Å; P399-K403 PolarHBondContact O-N 3.43Å; P399-K403 VanDerWaalsContact O-N 3.16Å; P400-K403 WeakPolarHBondContact O-CB 3.37Å; P400-K403 PolarHBondContact O-N 2.87Å; K403-L407 VanDerWaalsContact O-CB 3.24Å; K403-L407 WeakPolarHBondContact O-CB 3.49Å; K403-L407 PolarHBondContact O-N 3.12Å; K403-A429 HydrophobicContact CD-CB 4.31Å; K403-A429 VanDerWaalsContact CD-O 3.32Å; K403-A429 WeakPolarHBondContact CD-O 3.03Å; K403-A429 PolarHBondContact NZ-O 2.92Å; K403-V431 HydrophobicContact CB-CG1 4.43Å; K403-V431 HydrophobicContact CD-CG1 4.44Å
404	I	98.3	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-41.6	178.6	-69.6	152.8	0	0	0	110.9	P400 Y401 D402 L407 L408 V431 Y434 L437 I438 L577	P400-I404 VanDerWaalsContact O-CD1 3.26Å; P400-I404 WeakPolarHBondContact O-CD1 3.28Å; P400-I404 VanDerWaalsContact O-CG1 3.26Å; P400-I404 WeakPolarHBondContact O-CG1 3.19Å; P400-I404 PolarHBondContact O-N 3.23Å; Y401-I404 HydrophobicContact CD1-CD1 4.23Å; Y401-I404 WeakPolarHBondContact O-CB 3.02Å; Y401-I404 PolarHBondContact O-N 3.47Å; D402-I404 VanDerWaalsContact C-N 3.29Å; D402-I404 PolarHBondContact O-N 3.24Å; I404-L407 PolarHBondContact O-N 3.36Å; I404-L408 HydrophobicContact CG2-CD1 3.84Å; I404-L408 HydrophobicContact CG2-CG 4.18Å; I404-L408 WeakPolarHBondContact O-CB 3.33Å; I404-L408 VanDerWaalsContact O-CG 3.32Å; I404-L408 WeakPolarHBondContact O-CG 3.04Å; I404-L408 PolarHBondContact O-N 2.94Å; I404-V431 HydrophobicContact CG1-CB 4.48Å; I404-V431 HydrophobicContact CG1-CG2 4.34Å; I404-Y434 HydrophobicContact CD1-CD1 4.44Å; I404-Y434 HydrophobicContact CD1-CD2 4.21Å; I404-Y434 HydrophobicContact CD1-CG 3.88Å; I404-L437 HydrophobicContact CB-CD2 4.47Å; I404-L437 HydrophobicContact CD1-CD2 3.38Å; I404-L437 HydrophobicContact CG1-CD2 4.11Å; I404-L437 HydrophobicContact CG2-CD1 4.4Å; I404-L437 HydrophobicContact CG2-CD2 3.81Å; I404-L437 HydrophobicContact CG2-CG 4.22Å; I404-I438 HydrophobicContact CG1-CD1 4.41Å; I404-I438 HydrophobicContact CG2-CG1 4.08Å; I404-L577 HydrophobicContact CG2-CD1 4.43Å; I404-L577 HydrophobicContact CG2-CD2 3.99Å
405	R	98.4	Very high	95.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-52.6	174.9	-70.2	160.1	69.6	159.5	14.3	111	L243 L244 H245 D255 Y401 D402 L407 L408 L409 L577	L243-R405 HydrophobicContact CD2-CG 4.34Å; L243-R405 PolarHBondContact O-NE 2.64Å; L243-R405 PolarHBondContact O-NH2 3.32Å; L243-R405 VanDerWaalsContact O-NH2 3.11Å; L244-R405 VanDerWaalsContact C-NH2 3.26Å; L244-R405 PolarHBondContact O-NH2 3.35Å; H245-R405 PolarHBondContact CD2-NH2 2.91Å; H245-R405 VanDerWaalsContact CD2-NH2 3.35Å; H245-R405 PolarHBondContact CE1-NH1 3.36Å; H245-R405 PolarHBondContact CE1-NH2 3.18Å; H245-R405 VanDerWaalsContact N-NH2 3.13Å; H245-R405 VanDerWaalsContact ND1-CZ 3.29Å; H245-R405 PolarHBondContact ND1-NH2 3.18Å; H245-R405 PolarHBondContact NE2-NH1 2.84Å; D255-R405 IonicContact OD1-CZ 3.14Å; D255-R405 IonicContact OD1-NH1 3.47Å; D255-R405 PolarHBondContact OD1-NH1 2.81Å; D255-R405 IonicContact OD1-NH2 3.14Å; D255-R405 IonicContact OD2-CZ 3.56Å; D255-R405 IonicContact OD2-NH1 3.72Å; D255-R405 PolarHBondContact OD2-NH1 3.18Å; D255-R405 IonicContact OD2-NH2 2.73Å; D255-R405 PolarHBondContact OD2-NH2 3.16Å; Y401-R405 VanDerWaalsContact O-CG 3.3Å; Y401-R405 WeakPolarHBondContact O-CG 3.15Å; Y401-R405 PolarHBondContact O-N 3.13Å; D402-R405 PolarHBondContact O-N 2.74Å; D402-R405 IonicContact OD1-NH1 2.84Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 2.91Å; R405-L408 PolarHBondContact O-N 2.91Å; R405-L409 VanDerWaalsContact O-CG 3.29Å; R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 3.43Å; R405-L577 HydrophobicContact CG-CD1 4.09Å
406	V	98.1	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-42.1	177.7	173	0	0	0	0	111.6	L364 V367 E368 L371 I389 V392 D402 L409 Y410	L364-V406 HydrophobicContact CD2-CG2 4.19Å; V367-V406 HydrophobicContact CG1-CG1 4.06Å; E368-V406 HydrophobicContact CG-CG2 4.1Å; L371-V406 HydrophobicContact CD1-CG1 3.94Å; I389-V406 HydrophobicContact CB-CG1 4.03Å; I389-V406 HydrophobicContact CG2-CG1 3.6Å; V392-V406 HydrophobicContact CG1-CG2 4.28Å; D402-V406 PolarHBondContact O-N 2.71Å; D402-V406 VanDerWaalsContact O-N 3.12Å; V406-L409 PolarHBondContact O-N 3.32Å; V406-Y410 WeakPolarHBondContact O-CB 3.32Å; V406-Y410 PolarHBondContact O-N 3.02Å
407	L	97.7	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-44.4	177.9	179.3	57.5	0	0	0	112.1	K403 I404 R405 Y410 I411 L425 I426 I438	K403-L407 VanDerWaalsContact O-CB 3.24Å; K403-L407 WeakPolarHBondContact O-CB 3.49Å; K403-L407 PolarHBondContact O-N 3.12Å; I404-L407 PolarHBondContact O-N 3.36Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 2.91Å; L407-Y410 WeakPolarHBondContact O-CB 3.2Å; L407-Y410 PolarHBondContact O-N 2.93Å; L407-I411 HydrophobicContact CD1-CD1 4.12Å; L407-I411 HydrophobicContact CD1-CG1 4.4Å; L407-I411 HydrophobicContact CG-CD1 3.99Å; L407-I411 VanDerWaalsContact O-CG1 3.24Å; L407-I411 WeakPolarHBondContact O-CG1 3.35Å; L407-I411 PolarHBondContact O-N 3.21Å; L407-L425 HydrophobicContact CD1-CB 3.73Å; L407-L425 HydrophobicContact CD1-CD1 3.7Å; L407-L425 HydrophobicContact CD1-CD2 4.43Å; L407-L425 HydrophobicContact CD1-CG 4.16Å; L407-L425 HydrophobicContact CD2-CB 4.49Å; L407-I426 HydrophobicContact CD2-CG1 4.24Å; L407-I438 HydrophobicContact CD2-CD1 3.68Å
408	L	97.8	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-44	176.4	-74.3	174.8	0	0	0	111.3	L243 I404 R405 Y410 I411 L412 I438 L441 L577	L243-L408 HydrophobicContact CD1-CB 3.68Å; L243-L408 HydrophobicContact CD1-CD1 4.17Å; L243-L408 HydrophobicContact CD2-CD1 3.87Å; I404-L408 HydrophobicContact CG2-CD1 3.84Å; I404-L408 HydrophobicContact CG2-CG 4.18Å; I404-L408 WeakPolarHBondContact O-CB 3.33Å; I404-L408 VanDerWaalsContact O-CG 3.32Å; I404-L408 WeakPolarHBondContact O-CG 3.04Å; I404-L408 PolarHBondContact O-N 2.94Å; R405-L408 PolarHBondContact O-N 2.91Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 2.98Å; L408-I411 PolarHBondContact O-N 3.16Å; L408-L412 WeakPolarHBondContact O-CB 3.46Å; L408-L412 WeakPolarHBondContact O-CG 3.4Å; L408-L412 PolarHBondContact O-N 3.4Å; L408-I438 HydrophobicContact CD2-CB 4.48Å; L408-I438 HydrophobicContact CD2-CG2 3.9Å; L408-L441 HydrophobicContact CD2-CD2 3.9Å; L408-L577 HydrophobicContact CD1-CD2 3.78Å
409	L	97.6	Very high	95.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-41.4	175	-70.2	169.5	0	0	0	112	V240 L243 L244 E368 L371 R405 V406 L412 L413	V240-L409 HydrophobicContact CB-CD2 4.32Å; V240-L409 HydrophobicContact CG1-CD2 3.75Å; V240-L409 HydrophobicContact CG2-CD2 4.33Å; L243-L409 HydrophobicContact CB-CD2 4.32Å; L243-L409 HydrophobicContact CB-CG 4.47Å; L243-L409 HydrophobicContact CD1-CD2 4.36Å; L243-L409 HydrophobicContact CD1-CG 4.47Å; L244-L409 HydrophobicContact CD2-CD1 3.76Å; L244-L409 HydrophobicContact CD2-CD2 4.12Å; E368-L409 HydrophobicContact CB-CD1 3.91Å; E368-L409 HydrophobicContact CG-CD1 3.67Å; L371-L409 HydrophobicContact CB-CB 4.09Å; L371-L409 HydrophobicContact CD1-CB 4.07Å; R405-L409 VanDerWaalsContact O-CG 3.29Å; R405-L409 WeakPolarHBondContact O-CG 3.44Å; R405-L409 PolarHBondContact O-N 3.43Å; V406-L409 PolarHBondContact O-N 3.32Å; L409-L412 PolarHBondContact O-N 2.99Å; L409-L413 WeakPolarHBondContact O-CB 3.37Å; L409-L413 PolarHBondContact O-N 3.33Å
410	Y	96.9	Very high	95.4	Very high	18 Å²	18	34.2 Å²	34.2	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-45.6	174	168.7	-99.2	0	0	0	112.4	L371 A385 M386 I389 V406 L407 L408 L412 L413 R414 V417 L425	L371-Y410 HydrophobicContact CD2-CD2 4.37Å; A385-Y410 HydrophobicContact CB-CD2 3.95Å; A385-Y410 HydrophobicContact CB-CE2 3.93Å; M386-Y410 HydrophobicContact CE-CE1 4.19Å; M386-Y410 HydrophobicContact CE-CE2 4.37Å; M386-Y410 VanDerWaalsContact CE-OH 3.25Å; M386-Y410 WeakPolarHBondContact CE-OH 3.33Å; I389-Y410 HydrophobicContact CD1-CD1 3.82Å; I389-Y410 HydrophobicContact CD1-CD2 3.77Å; I389-Y410 HydrophobicContact CD1-CE1 4.22Å; I389-Y410 HydrophobicContact CD1-CE2 4.17Å; I389-Y410 HydrophobicContact CD1-CG 3.58Å; V406-Y410 WeakPolarHBondContact O-CB 3.32Å; V406-Y410 PolarHBondContact O-N 3.02Å; L407-Y410 WeakPolarHBondContact O-CB 3.2Å; L407-Y410 PolarHBondContact O-N 2.93Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 2.98Å; Y410-L412 VanDerWaalsContact C-N 3.32Å; Y410-L412 PolarHBondContact O-N 3.04Å; Y410-L413 PolarHBondContact O-N 2.89Å; Y410-R414 HydrophobicContact CD2-CG 4.2Å; Y410-R414 HydrophobicContact CE1-CG 4.15Å; Y410-R414 HydrophobicContact CE2-CG 3.72Å; Y410-R414 WeakPolarHBondContact O-CB 3.23Å; Y410-R414 WeakPolarHBondContact O-CG 3.35Å; Y410-R414 PolarHBondContact O-N 3.45Å; Y410-V417 HydrophobicContact CD1-CG1 4.49Å; Y410-V417 HydrophobicContact CE1-CG1 3.88Å; Y410-L425 HydrophobicContact CD1-CD1 4.1Å; Y410-L425 HydrophobicContact CE1-CD1 3.73Å
411	I	95.3	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-43	177.7	-68.8	165	0	0	0	110.5	L407 L408 R414 N415 G416 V417 L422 I438 V448	L407-I411 HydrophobicContact CD1-CD1 4.12Å; L407-I411 HydrophobicContact CD1-CG1 4.4Å; L407-I411 HydrophobicContact CG-CD1 3.99Å; L407-I411 VanDerWaalsContact O-CG1 3.24Å; L407-I411 WeakPolarHBondContact O-CG1 3.35Å; L407-I411 PolarHBondContact O-N 3.21Å; L408-I411 PolarHBondContact O-N 3.16Å; I411-R414 CarbonylContact O-C 3.58Å; I411-R414 PolarHBondContact O-N 3.04Å; I411-N415 PolarHBondContact O-N 3.23Å; I411-G416 PolarHBondContact O-N 3.05Å; I411-V417 HydrophobicContact CD1-CG2 4.46Å; I411-V417 HydrophobicContact CG1-CG1 4.15Å; I411-V417 HydrophobicContact CG1-CG2 4.03Å; I411-L422 HydrophobicContact CD1-CD1 3.75Å; I411-I438 HydrophobicContact CD1-CG2 3.94Å; I411-V448 HydrophobicContact CD1-CG1 4.29Å; I411-V448 HydrophobicContact CG2-CB 4.38Å; I411-V448 HydrophobicContact CG2-CG1 4.22Å
412	L	93.5	Very high	95.1	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-39.5	177.9	-70.2	170	0	0	0	112.4	P239 V240 L243 L408 L409 Y410 R414 N415 L441	P239-L412 HydrophobicContact CB-CD1 4.04Å; P239-L412 HydrophobicContact CB-CD2 4.31Å; P239-L412 HydrophobicContact CG-CD1 3.8Å; P239-L412 HydrophobicContact CG-CD2 3.52Å; P239-L412 HydrophobicContact CG-CG 4.3Å; V240-L412 HydrophobicContact CG2-CB 4.5Å; V240-L412 HydrophobicContact CG2-CD1 3.96Å; L243-L412 HydrophobicContact CD1-CD1 4.02Å; L408-L412 WeakPolarHBondContact O-CB 3.46Å; L408-L412 WeakPolarHBondContact O-CG 3.4Å; L408-L412 PolarHBondContact O-N 3.4Å; L409-L412 PolarHBondContact O-N 2.99Å; Y410-L412 VanDerWaalsContact C-N 3.32Å; Y410-L412 PolarHBondContact O-N 3.04Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-N415 PolarHBondContact O-N 2.61Å; L412-L441 HydrophobicContact CD2-CD2 4.22Å
413	L	92.9	Very high	95	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-41.8	173.1	174.2	64	0	0	0	111.6	L371 A385 L409 Y410 N415	L371-L413 HydrophobicContact CD2-CD2 3.84Å; A385-L413 HydrophobicContact CB-CD2 4.13Å; L409-L413 WeakPolarHBondContact O-CB 3.37Å; L409-L413 PolarHBondContact O-N 3.33Å; Y410-L413 PolarHBondContact O-N 2.89Å; L413-N415 PolarHBondContact O-N 2.79Å
414	R	91.1	Very high	94.9	Very high	158 Å²	158	38 Å²	38	60%	0.596	19%	0.19	S	C	*	.	H	α-helix	trans	-75.7	-9.2	178.6	-69.6	-62.3	-56.5	-168.9	-2.5	113.6	Y410 I411 L412 V417	Y410-R414 HydrophobicContact CD2-CG 4.2Å; Y410-R414 HydrophobicContact CE1-CG 4.15Å; Y410-R414 HydrophobicContact CE2-CG 3.72Å; Y410-R414 WeakPolarHBondContact O-CB 3.23Å; Y410-R414 WeakPolarHBondContact O-CG 3.35Å; Y410-R414 PolarHBondContact O-N 3.45Å; I411-R414 CarbonylContact O-C 3.58Å; I411-R414 PolarHBondContact O-N 3.04Å; L412-R414 VanDerWaalsContact C-N 3.34Å; R414-V417 HydrophobicContact CB-CG1 4.31Å
415	N	89.6	Confident	94.8	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.342	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	52.6	-171.7	-168.3	55.5	0	0	0	111.8	I411 L412 L413 N450 F457	I411-N415 PolarHBondContact O-N 3.23Å; L412-N415 PolarHBondContact O-N 2.61Å; L413-N415 PolarHBondContact O-N 2.79Å; N415-N450 PolarHBondContact O-OD1 3.35Å; N415-F457 HydrophobicContact CB-CE2 4.42Å; N415-F457 WeakPolarHBondContact OD1-CD2 3.28Å; N415-F457 WeakPolarHBondContact OD1-CE2 3.48Å
416	G	90.9	Very high	94.7	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	93.2	154.4	-177	0	0	0	0	0	113.9	I411 V448 N450	I411-G416 PolarHBondContact O-N 3.05Å; G416-V448 CarbonylContact C-O 3.6Å; G416-V448 VanDerWaalsContact CA-O 3.32Å; G416-V448 WeakPolarHBondContact CA-O 3.15Å; G416-N450 WeakPolarHBondContact CA-OD1 3.5Å; G416-N450 PolarHBondContact O-ND2 2.7Å; G416-N450 VanDerWaalsContact O-ND2 3.16Å
417	V	93.1	Very high	94.5	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.042	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-126.9	163.8	179.8	-65.7	0	0	0	0	110.8	Y410 I411 R414 L422 V448 T449 N450	Y410-V417 HydrophobicContact CD1-CG1 4.49Å; Y410-V417 HydrophobicContact CE1-CG1 3.88Å; I411-V417 HydrophobicContact CD1-CG2 4.46Å; I411-V417 HydrophobicContact CG1-CG1 4.15Å; I411-V417 HydrophobicContact CG1-CG2 4.03Å; R414-V417 HydrophobicContact CB-CG1 4.31Å; V417-L422 HydrophobicContact CG2-CB 3.86Å; V417-L422 HydrophobicContact CG2-CD1 4.29Å; V417-V448 PolarHBondContact N-O 3.21Å; V417-T449 WeakPolarHBondContact O-CA 3.2Å; V417-N450 PolarHBondContact O-N 2.86Å
418	S	94.1	Very high	94.3	Very high	48 Å²	48	50 Å²	50	34%	0.336	25%	0.246	S	C	.	.			trans	-72.1	151.9	170.5	64.5	0	0	0	0	110.7	E420 N421 L422	S418-E420 VanDerWaalsContact C-N 3.27Å; S418-E420 PolarHBondContact O-N 2.71Å; S418-N421 PolarHBondContact O-N 2.88Å; S418-N421 VanDerWaalsContact O-N 3.09Å; S418-N421 WeakPolarHBondContact OG-CB 3.37Å; S418-N421 PolarHBondContact OG-N 2.99Å; S418-N421 PolarHBondContact OG-ND2 3.44Å; S418-N421 VanDerWaalsContact OG-ND2 3.16Å; S418-L422 PolarHBondContact O-N 3Å
419	E	93.7	Very high	94.2	Very high	93 Å²	93	50 Å²	50	44%	0.435	25%	0.246	S	C	.	.	H	α-helix	trans	-56.3	-41.3	178.6	-177.3	54.6	-148.5	0	0	112.5	N421 L422 A423 R439 T449	E419-N421 PolarHBondContact O-N 3.11Å; E419-L422 PolarHBondContact O-N 2.74Å; E419-A423 WeakPolarHBondContact O-CB 3.35Å; E419-A423 PolarHBondContact O-N 2.68Å; E419-R439 VanDerWaalsContact CD-NH1 3.26Å; E419-R439 IonicContact OE1-CZ 2.65Å; E419-R439 VanDerWaalsContact OE1-CZ 3.24Å; E419-R439 IonicContact OE1-NH1 2.75Å; E419-R439 PolarHBondContact OE1-NH1 3.39Å; E419-R439 IonicContact OE1-NH2 2.66Å; E419-R439 PolarHBondContact OE1-NH2 2.81Å; E419-R439 IonicContact OE2-CZ 3.67Å; E419-R439 IonicContact OE2-NH1 3.12Å; E419-R439 PolarHBondContact OE2-NH1 2.83Å; E419-R439 IonicContact OE2-NH2 3.24Å; E419-T449 WeakPolarHBondContact OE2-CG2 3.28Å
420	E	93.7	Very high	94.1	Very high	125 Å²	125	55.8 Å²	55.8	58%	0.584	28%	0.277	S	S	*	.	H	α-helix	trans	-62.7	-42.6	176.5	-170.5	-170.9	162.9	0	0	112	S418 A423 K424	S418-E420 VanDerWaalsContact C-N 3.27Å; S418-E420 PolarHBondContact O-N 2.71Å; E420-A423 PolarHBondContact O-N 2.88Å; E420-K424 WeakPolarHBondContact O-CG 3.42Å; E420-K424 PolarHBondContact O-N 2.92Å; E420-K424 VanDerWaalsContact O-N 3.13Å; E420-K424 WeakPolarHBondContact OE1-CE 3.41Å; E420-K424 IonicContact OE1-NZ 2.9Å; E420-K424 PolarHBondContact OE1-NZ 3.37Å
421	N	94	Very high	94.1	Very high	74 Å²	74	55 Å²	55	40%	0.396	28%	0.275	S	S	.	.	H	α-helix	trans	-69.1	-39.4	178.8	-73.2	-13.8	0	0	0	111.2	S418 E419 K424 L425	S418-N421 PolarHBondContact O-N 2.88Å; S418-N421 VanDerWaalsContact O-N 3.09Å; S418-N421 WeakPolarHBondContact OG-CB 3.37Å; S418-N421 PolarHBondContact OG-N 2.99Å; S418-N421 PolarHBondContact OG-ND2 3.44Å; S418-N421 VanDerWaalsContact OG-ND2 3.16Å; E419-N421 PolarHBondContact O-N 3.11Å; N421-K424 PolarHBondContact O-N 3.47Å; N421-L425 VanDerWaalsContact O-CG 3.28Å; N421-L425 WeakPolarHBondContact O-CG 2.94Å; N421-L425 PolarHBondContact O-N 2.99Å
422	L	95.5	Very high	94.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-47.4	175.5	-177.6	58.2	0	0	0	111.3	I411 V417 S418 E419 K424 L425 I426 I438 R439 V448 T449	I411-L422 HydrophobicContact CD1-CD1 3.75Å; V417-L422 HydrophobicContact CG2-CB 3.86Å; V417-L422 HydrophobicContact CG2-CD1 4.29Å; S418-L422 PolarHBondContact O-N 3Å; E419-L422 PolarHBondContact O-N 2.74Å; L422-K424 VanDerWaalsContact C-N 3.32Å; L422-K424 PolarHBondContact O-N 2.79Å; L422-L425 PolarHBondContact O-N 3.38Å; L422-I426 HydrophobicContact CD1-CD1 3.96Å; L422-I426 HydrophobicContact CD1-CG1 4.23Å; L422-I426 HydrophobicContact CG-CD1 3.87Å; L422-I426 WeakPolarHBondContact O-CG1 3.45Å; L422-I426 PolarHBondContact O-N 3.3Å; L422-I438 HydrophobicContact CD1-CG2 4.05Å; L422-R439 HydrophobicContact CD2-CG 4.43Å; L422-V448 HydrophobicContact CD2-CG1 3.94Å; L422-T449 HydrophobicContact CD2-CG2 3.73Å
423	A	95.3	Very high	94.2	Very high	48 Å²	48	63.5 Å²	63.5	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-43.3	177.8	0	0	0	0	0	112	E419 E420 I426 Q427	E419-A423 WeakPolarHBondContact O-CB 3.35Å; E419-A423 PolarHBondContact O-N 2.68Å; E420-A423 PolarHBondContact O-N 2.88Å; A423-I426 PolarHBondContact O-N 3.49Å; A423-Q427 WeakPolarHBondContact O-CB 3.48Å; A423-Q427 PolarHBondContact O-N 3.37Å
424	K	95.4	Very high	94.4	Very high	89 Å²	89	64.1 Å²	64.1	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.3	-72.2	173.6	-173.4	168	0	112.1	E420 N421 L422 Q427 H428	E420-K424 WeakPolarHBondContact O-CG 3.42Å; E420-K424 PolarHBondContact O-N 2.92Å; E420-K424 VanDerWaalsContact O-N 3.13Å; E420-K424 WeakPolarHBondContact OE1-CE 3.41Å; E420-K424 IonicContact OE1-NZ 2.9Å; E420-K424 PolarHBondContact OE1-NZ 3.37Å; N421-K424 PolarHBondContact O-N 3.47Å; L422-K424 VanDerWaalsContact C-N 3.32Å; L422-K424 PolarHBondContact O-N 2.79Å; K424-Q427 PolarHBondContact O-N 2.94Å; K424-H428 WeakPolarHBondContact O-CB 3.22Å; K424-H428 PolarHBondContact O-CD2 3.1Å; K424-H428 PolarHBondContact O-N 2.92Å
425	L	95.8	Very high	94.6	Very high	9 Å²	9	58 Å²	58	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-45.6	179	-72.8	167	0	0	0	111.8	M386 I389 L393 L407 Y410 N421 L422 Q427 H428 A429	M386-L425 HydrophobicContact CE-CD2 4.05Å; M386-L425 HydrophobicContact SD-CD2 3.82Å; I389-L425 HydrophobicContact CD1-CD2 3.96Å; L393-L425 HydrophobicContact CD1-CD2 3.83Å; L407-L425 HydrophobicContact CD1-CB 3.73Å; L407-L425 HydrophobicContact CD1-CD1 3.7Å; L407-L425 HydrophobicContact CD1-CD2 4.43Å; L407-L425 HydrophobicContact CD1-CG 4.16Å; L407-L425 HydrophobicContact CD2-CB 4.49Å; Y410-L425 HydrophobicContact CD1-CD1 4.1Å; Y410-L425 HydrophobicContact CE1-CD1 3.73Å; N421-L425 VanDerWaalsContact O-CG 3.28Å; N421-L425 WeakPolarHBondContact O-CG 2.94Å; N421-L425 PolarHBondContact O-N 2.99Å; L422-L425 PolarHBondContact O-N 3.38Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.96Å; L425-H428 PolarHBondContact O-N 3.33Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 3Å
426	I	96.5	Very high	94.8	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-60.9	-41.3	176	-69.2	170.7	0	0	0	110.8	L407 L422 A423 N430 V431 Q432 I438	L407-I426 HydrophobicContact CD2-CG1 4.24Å; L422-I426 HydrophobicContact CD1-CD1 3.96Å; L422-I426 HydrophobicContact CD1-CG1 4.23Å; L422-I426 HydrophobicContact CG-CD1 3.87Å; L422-I426 WeakPolarHBondContact O-CG1 3.45Å; L422-I426 PolarHBondContact O-N 3.3Å; A423-I426 PolarHBondContact O-N 3.49Å; I426-N430 PolarHBondContact O-N 3.08Å; I426-V431 HydrophobicContact CG2-CG2 4.32Å; I426-V431 PolarHBondContact O-N 3.25Å; I426-Q432 HydrophobicContact CG2-CB 4.47Å; I426-Q432 HydrophobicContact CG2-CG 4.22Å; I426-I438 HydrophobicContact CD1-CD1 4.05Å; I426-I438 HydrophobicContact CG1-CD1 3.84Å
427	Q	95.6	Very high	95.1	Very high	127 Å²	127	56.5 Å²	56.5	59%	0.593	31%	0.305	S	S	*	.	H	α-helix	trans	-64.9	-47.5	177.9	-174.3	-178.7	6.8	0	0	112	A423 K424 L425 A429 N430	A423-Q427 WeakPolarHBondContact O-CB 3.48Å; A423-Q427 PolarHBondContact O-N 3.37Å; K424-Q427 PolarHBondContact O-N 2.94Å; L425-Q427 VanDerWaalsContact C-N 3.29Å; L425-Q427 PolarHBondContact O-N 2.96Å; Q427-A429 VanDerWaalsContact C-N 3.32Å; Q427-A429 PolarHBondContact O-N 3.34Å; Q427-N430 PolarHBondContact O-N 2.87Å
428	H	92.8	Very high	95.3	Very high	112 Å²	112	56.2 Å²	56.2	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-34.7	179	-75.4	-57.9	0	0	0	112.8	L394 K424 L425 N430	L394-H428 HydrophobicContact CD2-CB 4.35Å; K424-H428 WeakPolarHBondContact O-CB 3.22Å; K424-H428 PolarHBondContact O-CD2 3.1Å; K424-H428 PolarHBondContact O-N 2.92Å; L425-H428 PolarHBondContact O-N 3.33Å; H428-N430 PolarHBondContact O-N 2.71Å
429	A	95.1	Very high	95.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-73.1	-14.7	176.4	0	0	0	0	0	113.7	L393 K403 L425 Q427 V431	L393-A429 HydrophobicContact CB-CB 4.09Å; L393-A429 HydrophobicContact CD1-CB 4.43Å; L393-A429 HydrophobicContact CD2-CB 3.91Å; L393-A429 HydrophobicContact CG-CB 4.33Å; L393-A429 WeakPolarHBondContact O-CA 3.43Å; K403-A429 HydrophobicContact CD-CB 4.31Å; K403-A429 VanDerWaalsContact CD-O 3.32Å; K403-A429 WeakPolarHBondContact CD-O 3.03Å; K403-A429 PolarHBondContact NZ-O 2.92Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 3Å; Q427-A429 VanDerWaalsContact C-N 3.32Å; Q427-A429 PolarHBondContact O-N 3.34Å; A429-V431 HydrophobicContact CB-CG1 4.31Å; A429-V431 HydrophobicContact CB-CG2 3.8Å
430	N	96.4	Very high	95.5	Very high	123 Å²	123	52.9 Å²	52.9	66%	0.658	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	43.7	-173.8	-165.6	42.3	0	0	0	113	I426 Q427 H428 Q432	I426-N430 PolarHBondContact O-N 3.08Å; Q427-N430 PolarHBondContact O-N 2.87Å; H428-N430 PolarHBondContact O-N 2.71Å; N430-Q432 PolarHBondContact OD1-OE1 3.29Å
431	V	96.3	Very high	95.6	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.252	C	S	.	.			trans	-122.2	31.4	-178	-60.7	0	0	0	0	112.9	P400 K403 I404 I426 A429 A433 Y434 S435	P400-V431 HydrophobicContact CB-CG1 4.01Å; K403-V431 HydrophobicContact CB-CG1 4.43Å; K403-V431 HydrophobicContact CD-CG1 4.44Å; I404-V431 HydrophobicContact CG1-CB 4.48Å; I404-V431 HydrophobicContact CG1-CG2 4.34Å; I426-V431 HydrophobicContact CG2-CG2 4.32Å; I426-V431 PolarHBondContact O-N 3.25Å; A429-V431 HydrophobicContact CB-CG1 4.31Å; A429-V431 HydrophobicContact CB-CG2 3.8Å; V431-A433 PolarHBondContact O-N 3.47Å; V431-Y434 HydrophobicContact CB-CD2 4.19Å; V431-Y434 WeakPolarHBondContact O-CA 3Å; V431-Y434 WeakPolarHBondContact O-CB 3.19Å; V431-Y434 PolarHBondContact O-N 3.3Å; V431-S435 PolarHBondContact O-N 3.4Å
432	Q	96.1	Very high	95.6	Very high	93 Å²	93	47 Å²	47	44%	0.435	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-56.3	-36	-176.3	-63.8	82.3	-14.7	0	0	112.6	I426 N430 Y434 S435	I426-Q432 HydrophobicContact CG2-CB 4.47Å; I426-Q432 HydrophobicContact CG2-CG 4.22Å; N430-Q432 PolarHBondContact OD1-OE1 3.29Å; Q432-Y434 PolarHBondContact O-N 2.92Å; Q432-Y434 VanDerWaalsContact O-N 3.13Å; Q432-S435 VanDerWaalsContact O-CB 3.29Å; Q432-S435 WeakPolarHBondContact O-CB 3.4Å; Q432-S435 PolarHBondContact O-N 3.18Å; Q432-S435 VanDerWaalsContact O-N 3.14Å
433	A	94.9	Very high	95.4	Very high	96 Å²	96	51 Å²	51	79%	0.793	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-61.3	-18.7	175.8	0	0	0	0	0	113.6	V431	V431-A433 PolarHBondContact O-N 3.47Å
434	Y	96	Very high	95.3	Very high	66 Å²	66	49.1 Å²	49.1	26%	0.259	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-111.1	13.6	-178.4	-58.9	-76.8	0	0	0	112.8	P400 Y401 I404 V431 Q432 S436 L437	P400-Y434 HydrophobicContact CB-CD2 4.11Å; P400-Y434 HydrophobicContact CB-CE2 3.69Å; P400-Y434 HydrophobicContact CG-CE2 4.19Å; Y401-Y434 HydrophobicContact CD1-CE1 4.47Å; Y401-Y434 HydrophobicContact CE1-CD1 4.05Å; Y401-Y434 AromaticContact CE1-CE1 3.63Å; Y401-Y434 HydrophobicContact CE1-CE1 3.63Å; I404-Y434 HydrophobicContact CD1-CD1 4.44Å; I404-Y434 HydrophobicContact CD1-CD2 4.21Å; I404-Y434 HydrophobicContact CD1-CG 3.88Å; V431-Y434 HydrophobicContact CB-CD2 4.19Å; V431-Y434 WeakPolarHBondContact O-CA 3Å; V431-Y434 WeakPolarHBondContact O-CB 3.19Å; V431-Y434 PolarHBondContact O-N 3.3Å; Q432-Y434 PolarHBondContact O-N 2.92Å; Q432-Y434 VanDerWaalsContact O-N 3.13Å; Y434-S436 VanDerWaalsContact C-N 3.27Å; Y434-S436 PolarHBondContact O-N 2.83Å; Y434-L437 HydrophobicContact CD1-CD2 4.13Å; Y434-L437 HydrophobicContact CG-CD2 4.26Å; Y434-L437 WeakPolarHBondContact O-CB 3.22Å; Y434-L437 PolarHBondContact O-N 3.41Å
435	S	95.3	Very high	94.9	Very high	30 Å²	30	46.7 Å²	46.7	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-39.5	179.6	178	0	0	0	0	112.7	V431 Q432 I438 R439	V431-S435 PolarHBondContact O-N 3.4Å; Q432-S435 VanDerWaalsContact O-CB 3.29Å; Q432-S435 WeakPolarHBondContact O-CB 3.4Å; Q432-S435 PolarHBondContact O-N 3.18Å; Q432-S435 VanDerWaalsContact O-N 3.14Å; S435-I438 PolarHBondContact O-N 3.39Å; S435-R439 WeakPolarHBondContact O-CG 3.38Å; S435-R439 PolarHBondContact O-N 3.37Å; S435-R439 PolarHBondContact OG-NE 2.87Å
436	S	95.4	Very high	94.4	Very high	35 Å²	35	46.7 Å²	46.7	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-46	-179.2	130	0	0	0	0	111.7	Y434 I438 R439 N440 D584	Y434-S436 VanDerWaalsContact C-N 3.27Å; Y434-S436 PolarHBondContact O-N 2.83Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 2.89Å; S436-R439 PolarHBondContact O-N 2.86Å; S436-N440 WeakPolarHBondContact O-CB 3.48Å; S436-N440 PolarHBondContact O-N 3.44Å; S436-N440 PolarHBondContact O-OD1 2.94Å; S436-N440 PolarHBondContact OG-ND2 3.4Å; S436-D584 WeakPolarHBondContact CB-OD2 3.29Å; S436-D584 PolarHBondContact OG-OD1 2.88Å; S436-D584 PolarHBondContact OG-OD2 3.39Å
437	L	96.3	Very high	94.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-46.5	-46.5	172.9	136.6	77.9	0	0	0	112.8	I404 Y434 R439 N440 L577 L580 K581	I404-L437 HydrophobicContact CB-CD2 4.47Å; I404-L437 HydrophobicContact CD1-CD2 3.38Å; I404-L437 HydrophobicContact CG1-CD2 4.11Å; I404-L437 HydrophobicContact CG2-CD1 4.4Å; I404-L437 HydrophobicContact CG2-CD2 3.81Å; I404-L437 HydrophobicContact CG2-CG 4.22Å; Y434-L437 HydrophobicContact CD1-CD2 4.13Å; Y434-L437 HydrophobicContact CG-CD2 4.26Å; Y434-L437 WeakPolarHBondContact O-CB 3.22Å; Y434-L437 PolarHBondContact O-N 3.41Å; L437-R439 VanDerWaalsContact C-N 3.33Å; L437-R439 PolarHBondContact O-N 2.92Å; L437-N440 PolarHBondContact O-N 2.97Å; L437-L577 HydrophobicContact CD1-CB 4.03Å; L437-L577 HydrophobicContact CD1-CD2 3.93Å; L437-L577 WeakPolarHBondContact CD1-O 3.35Å; L437-L580 HydrophobicContact CD1-CB 3.87Å; L437-L580 HydrophobicContact CD1-CD1 4.31Å; L437-K581 HydrophobicContact CB-CB 4.28Å
438	I	96.9	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-39.7	-175.6	-66.1	160.4	0	0	0	110.1	I404 L407 L408 I411 L422 I426 S435 S436 V448	I404-I438 HydrophobicContact CG1-CD1 4.41Å; I404-I438 HydrophobicContact CG2-CG1 4.08Å; L407-I438 HydrophobicContact CD2-CD1 3.68Å; L408-I438 HydrophobicContact CD2-CB 4.48Å; L408-I438 HydrophobicContact CD2-CG2 3.9Å; I411-I438 HydrophobicContact CD1-CG2 3.94Å; L422-I438 HydrophobicContact CD1-CG2 4.05Å; I426-I438 HydrophobicContact CD1-CD1 4.05Å; I426-I438 HydrophobicContact CG1-CD1 3.84Å; S435-I438 PolarHBondContact O-N 3.39Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 2.89Å; I438-V448 HydrophobicContact CG2-CG1 4.2Å; I438-V448 WeakPolarHBondContact O-CG2 3.31Å
439	R	96	Very high	93.7	Very high	63 Å²	63	37.6 Å²	37.6	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-73.8	-33.7	179.9	-63.1	170.4	-174.4	-80	-0.1	111.9	E419 L422 S435 S436 L437 L441 E442	E419-R439 VanDerWaalsContact CD-NH1 3.26Å; E419-R439 IonicContact OE1-CZ 2.65Å; E419-R439 VanDerWaalsContact OE1-CZ 3.24Å; E419-R439 IonicContact OE1-NH1 2.75Å; E419-R439 PolarHBondContact OE1-NH1 3.39Å; E419-R439 IonicContact OE1-NH2 2.66Å; E419-R439 PolarHBondContact OE1-NH2 2.81Å; E419-R439 IonicContact OE2-CZ 3.67Å; E419-R439 IonicContact OE2-NH1 3.12Å; E419-R439 PolarHBondContact OE2-NH1 2.83Å; E419-R439 IonicContact OE2-NH2 3.24Å; L422-R439 HydrophobicContact CD2-CG 4.43Å; S435-R439 WeakPolarHBondContact O-CG 3.38Å; S435-R439 PolarHBondContact O-N 3.37Å; S435-R439 PolarHBondContact OG-NE 2.87Å; S436-R439 PolarHBondContact O-N 2.86Å; L437-R439 VanDerWaalsContact C-N 3.33Å; L437-R439 PolarHBondContact O-N 2.92Å; R439-L441 PolarHBondContact O-N 3.42Å; R439-E442 WeakPolarHBondContact O-CB 3.41Å; R439-E442 WeakPolarHBondContact O-CG 3.43Å; R439-E442 PolarHBondContact O-N 3.22Å
440	N	96.6	Very high	93	Very high	9 Å²	9	42 Å²	42	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-14.7	-179.8	-73.3	-9.1	0	0	0	113.4	S436 L437 E442 Q443 L580 L583 D584	S436-N440 WeakPolarHBondContact O-CB 3.48Å; S436-N440 PolarHBondContact O-N 3.44Å; S436-N440 PolarHBondContact O-OD1 2.94Å; S436-N440 PolarHBondContact OG-ND2 3.4Å; L437-N440 PolarHBondContact O-N 2.97Å; N440-E442 PolarHBondContact O-N 2.89Å; N440-Q443 VanDerWaalsContact O-CB 3.28Å; N440-Q443 WeakPolarHBondContact O-CB 3.49Å; N440-Q443 PolarHBondContact O-N 3.49Å; N440-L580 WeakPolarHBondContact CB-O 3.24Å; N440-L580 PolarHBondContact ND2-O 2.97Å; N440-L583 HydrophobicContact CB-CB 4.18Å; N440-L583 HydrophobicContact CB-CD1 4.48Å; N440-D584 VanDerWaalsContact ND2-CG 3.29Å; N440-D584 PolarHBondContact ND2-OD1 3.24Å
441	L	95.2	Very high	91.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58	-27.2	168.3	-179.4	62.1	0	0	0	112.4	P239 L408 L412 R439 Q443 L444 G446 V448 F576 L580	P239-L441 HydrophobicContact CB-CD1 4.25Å; L408-L441 HydrophobicContact CD2-CD2 3.9Å; L412-L441 HydrophobicContact CD2-CD2 4.22Å; R439-L441 PolarHBondContact O-N 3.42Å; L441-Q443 PolarHBondContact O-N 2.7Å; L441-L444 HydrophobicContact CD1-CD1 4.2Å; L441-L444 PolarHBondContact O-N 3.15Å; L441-G446 PolarHBondContact O-N 2.86Å; L441-G446 VanDerWaalsContact O-N 3.17Å; L441-V448 HydrophobicContact CB-CG2 3.81Å; L441-V448 HydrophobicContact CD2-CG2 4.14Å; L441-V448 HydrophobicContact CG-CG2 4.21Å; L441-F576 HydrophobicContact CD1-CZ 4.34Å; L441-L580 HydrophobicContact CB-CD1 4.43Å; L441-L580 HydrophobicContact CD1-CD1 4.4Å; L441-L580 HydrophobicContact CD1-CD2 4.47Å
442	E	93.6	Very high	88.7	Confident	76 Å²	76	46 Å²	46	36%	0.355	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.6	-27.9	174.1	-63	-176.9	151	0	0	112.5	R439 N440 L444 G445 G446 V448 T449	R439-E442 WeakPolarHBondContact O-CB 3.41Å; R439-E442 WeakPolarHBondContact O-CG 3.43Å; R439-E442 PolarHBondContact O-N 3.22Å; N440-E442 PolarHBondContact O-N 2.89Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 3.36Å; E442-G445 WeakPolarHBondContact O-CA 3.43Å; E442-G445 PolarHBondContact O-N 3.47Å; E442-G446 WeakPolarHBondContact CA-O 3.42Å; E442-V448 HydrophobicContact CG-CB 3.64Å; E442-V448 HydrophobicContact CG-CG2 3.64Å; E442-T449 PolarHBondContact OE1-N 3.32Å; E442-T449 PolarHBondContact OE1-OG1 3.27Å
443	Q	93	Very high	86.4	Confident	82 Å²	82	45.5 Å²	45.5	38%	0.383	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-66.9	-28.5	176.7	-59.8	-68.5	3.7	0	0	112.4	Y157 N440 L441 G445 L583	Y157-Q443 WeakPolarHBondContact CD1-O 3.46Å; N440-Q443 VanDerWaalsContact O-CB 3.28Å; N440-Q443 WeakPolarHBondContact O-CB 3.49Å; N440-Q443 PolarHBondContact O-N 3.49Å; L441-Q443 PolarHBondContact O-N 2.7Å; Q443-G445 PolarHBondContact O-N 2.93Å; Q443-L583 HydrophobicContact CB-CD1 3.98Å; Q443-L583 HydrophobicContact CG-CB 4.39Å
444	L	91.4	Very high	84	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.047	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-75.2	-13.3	172.2	-58.8	-173	0	0	0	112.2	T153 Y157 R235 A236 L441 E442 F576 L580 L583	T153-L444 HydrophobicContact CG2-CD2 4.2Å; Y157-L444 HydrophobicContact CD1-CD2 3.94Å; Y157-L444 HydrophobicContact CD2-CD2 3.29Å; Y157-L444 HydrophobicContact CE1-CD2 4.19Å; Y157-L444 HydrophobicContact CE2-CD2 3.59Å; Y157-L444 HydrophobicContact CG-CD2 3.49Å; Y157-L444 VanDerWaalsContact CG-CD2 3.49Å; R235-L444 HydrophobicContact CB-CD1 4.43Å; R235-L444 HydrophobicContact CG-CD1 4.18Å; A236-L444 HydrophobicContact CB-CB 4.21Å; A236-L444 WeakPolarHBondContact CB-O 3.41Å; L441-L444 HydrophobicContact CD1-CD1 4.2Å; L441-L444 PolarHBondContact O-N 3.15Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 3.36Å; L444-F576 HydrophobicContact CD1-CE2 3.78Å; L444-F576 HydrophobicContact CD1-CZ 4.01Å; L444-L580 HydrophobicContact CD1-CD2 3.59Å; L444-L580 HydrophobicContact CG-CD2 3.91Å; L444-L583 HydrophobicContact CD2-CD1 4.16Å; L444-L583 HydrophobicContact CG-CD1 4.47Å
445	G	87.8	Confident	81.8	Confident	38 Å²	38	47.5 Å²	47.5	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	12.6	-170.9	0	0	0	0	0	114.1	E442 Q443 S458	E442-G445 WeakPolarHBondContact O-CA 3.43Å; E442-G445 PolarHBondContact O-N 3.47Å; Q443-G445 PolarHBondContact O-N 2.93Å; G445-S458 PolarHBondContact O-OG 2.78Å
446	G	86	Confident	79.6	Confident	9 Å²	9	51.5 Å²	51.5	9%	0.093	35%	0.351	C	S	.	.			trans	-73.6	161	169.6	0	0	0	0	0	112.3	L441 E442	L441-G446 PolarHBondContact O-N 2.86Å; L441-G446 VanDerWaalsContact O-N 3.17Å; E442-G446 WeakPolarHBondContact CA-O 3.42Å
447	T	88.8	Confident	77.7	Confident	35 Å²	35	54.6 Å²	54.6	22%	0.215	36%	0.36	C	S	.	.			trans	-104.6	111	178.2	-52.6	0	0	0	0	110.2
448	V	91.1	Very high	76	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	37%	0.368	C	S	.	.			trans	-107.9	-54.7	178.4	-178.5	0	0	0	0	111	I411 G416 V417 L422 I438 L441 E442	I411-V448 HydrophobicContact CD1-CG1 4.29Å; I411-V448 HydrophobicContact CG2-CB 4.38Å; I411-V448 HydrophobicContact CG2-CG1 4.22Å; G416-V448 CarbonylContact C-O 3.6Å; G416-V448 VanDerWaalsContact CA-O 3.32Å; G416-V448 WeakPolarHBondContact CA-O 3.15Å; V417-V448 PolarHBondContact N-O 3.21Å; L422-V448 HydrophobicContact CD2-CG1 3.94Å; I438-V448 HydrophobicContact CG2-CG1 4.2Å; I438-V448 WeakPolarHBondContact O-CG2 3.31Å; L441-V448 HydrophobicContact CB-CG2 3.81Å; L441-V448 HydrophobicContact CD2-CG2 4.14Å; L441-V448 HydrophobicContact CG-CG2 4.21Å; E442-V448 HydrophobicContact CG-CB 3.64Å; E442-V448 HydrophobicContact CG-CG2 3.64Å
449	T	89.9	Confident	74.8	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.129	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-109.6	133.7	-179.3	63	0	0	0	0	111.9	V417 E419 L422 E442 S451	V417-T449 WeakPolarHBondContact O-CA 3.2Å; E419-T449 WeakPolarHBondContact OE2-CG2 3.28Å; L422-T449 HydrophobicContact CD2-CG2 3.73Å; E442-T449 PolarHBondContact OE1-N 3.32Å; E442-T449 PolarHBondContact OE1-OG1 3.27Å; T449-S451 VanDerWaalsContact C-N 3.3Å; T449-S451 PolarHBondContact O-N 3.11Å
450	N	79.4	Confident	74.1	Confident	94 Å²	94	57 Å²	57	50%	0.503	38%	0.375	S	S	.	.			trans	-80	78	176.5	-65.6	-27.4	0	0	0	109.9	N415 G416 V417	N415-N450 PolarHBondContact O-OD1 3.35Å; G416-N450 WeakPolarHBondContact CA-OD1 3.5Å; G416-N450 PolarHBondContact O-ND2 2.7Å; G416-N450 VanDerWaalsContact O-ND2 3.16Å; V417-N450 PolarHBondContact O-N 2.86Å
451	S	58.8	Low	73.3	Confident	91 Å²	91	64.4 Å²	64.4	64%	0.636	41%	0.409	S	S	*	.			trans	-76.9	128.9	168.2	-74.4	0	0	0	0	109.9	T449 G453	T449-S451 VanDerWaalsContact C-N 3.3Å; T449-S451 PolarHBondContact O-N 3.11Å; S451-G453 PolarHBondContact O-N 3.47Å
452	A	44.2	Very low	73	Confident	117 Å²	117	67.4 Å²	67.4	97%	0.967	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	102	-179.4	0	0	0	0	0	110.4
453	G	47.2	Very low	72.7	Confident	84 Å²	84	67.9 Å²	67.9	87%	0.866	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	137.7	-8.7	169.7	0	0	0	0	0	117.6	S451	S451-G453 PolarHBondContact O-N 3.47Å
454	S	45.7	Very low	72.4	Confident	101 Å²	101	71.6 Å²	71.6	71%	0.706	44%	0.436	S	S	*	.			trans	-124.3	72.8	178.1	-163.4	0	0	0	0	111.4	T456	S454-T456 PolarHBondContact O-N 3.2Å
455	A	48.5	Very low	72.2	Confident	103 Å²	103	73.2 Å²	73.2	85%	0.851	44%	0.442	S	S	*	.			trans	-88.8	98.3	169.5	0	0	0	0	0	108.9
456	T	50.8	Low	71.9	Confident	113 Å²	113	79.7 Å²	79.7	69%	0.693	46%	0.464	S	S	*	.			trans	-136	103.7	157.5	-0.1	0	0	0	0	108.6	S454 S458	S454-T456 PolarHBondContact O-N 3.2Å; T456-S458 PolarHBondContact O-N 3.19Å
457	F	54	Low	71.7	Confident	101 Å²	101	84.4 Å²	84.4	44%	0.443	48%	0.484	S	S	.	.			trans	-61.5	100.1	174.1	-164.4	-101.8	0	0	0	108.4	N415 R459 E461	N415-F457 HydrophobicContact CB-CE2 4.42Å; N415-F457 WeakPolarHBondContact OD1-CD2 3.28Å; N415-F457 WeakPolarHBondContact OD1-CE2 3.48Å; F457-R459 VanDerWaalsContact CD1-O 3.3Å; F457-R459 WeakPolarHBondContact CD1-O 3.48Å; F457-R459 VanDerWaalsContact CE1-O 3.22Å; F457-R459 WeakPolarHBondContact CE1-O 3.23Å; F457-E461 HydrophobicContact CE1-CG 4.26Å
458	S	60.8	Low	71.4	Confident	24 Å²	24	89.3 Å²	89.3	17%	0.168	52%	0.516	C	S	.	.			trans	-89.8	-15.4	-177.6	63.6	0	0	0	0	112.7	R192 G445 T456	R192-S458 PolarHBondContact NH1-O 3.39Å; G445-S458 PolarHBondContact O-OG 2.78Å; T456-S458 PolarHBondContact O-N 3.19Å
459	R	71.6	Confident	71.4	Confident	65 Å²	65	92.7 Å²	92.7	25%	0.245	54%	0.537	C	S	.	.	S	Bend	trans	-75.8	136.3	178.6	-165.9	177.9	72	166.3	0.5	110.7	F457	F457-R459 VanDerWaalsContact CD1-O 3.3Å; F457-R459 WeakPolarHBondContact CD1-O 3.48Å; F457-R459 VanDerWaalsContact CE1-O 3.22Å; F457-R459 WeakPolarHBondContact CE1-O 3.23Å
460	L	81.9	Confident	71.5	Confident	24 Å²	24	96.7 Å²	96.7	13%	0.126	55%	0.55	C	S	.	*	P	Polyproline II helix	trans	-77.4	147.4	172.4	-68.4	171.8	0	0	0	110.6	M233 A237 I478 W496	M233-L460 HydrophobicContact CE-CD1 4.15Å; A237-L460 HydrophobicContact CB-CD1 4.23Å; A237-L460 HydrophobicContact CB-CG 4.48Å; A237-L460 PolarHBondContact O-N 3.34Å; L460-I478 HydrophobicContact CB-CD1 4.17Å; L460-I478 HydrophobicContact CB-CG2 3.79Å; L460-I478 HydrophobicContact CD1-CG2 3.95Å; L460-I478 WeakPolarHBondContact O-CD1 3.17Å; L460-W496 HydrophobicContact CD1-CH2 4.35Å; L460-W496 HydrophobicContact CD1-CZ2 3.62Å
461	E	79.7	Confident	72.1	Confident	166 Å²	166	98.7 Å²	98.7	78%	0.776	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-81.9	132	173.6	-66.3	-171.5	164.3	0	0	110.1	F457	F457-E461 HydrophobicContact CE1-CG 4.26Å
462	R	87.9	Confident	73.9	Confident	63 Å²	63	96.3 Å²	96.3	24%	0.238	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-77.3	142.3	176.5	-171.4	-167	68.9	98.9	-0.6	110.1	I478	R462-I478 HydrophobicContact CB-CG1 4.44Å
463	R	88.7	Confident	76.4	Confident	86 Å²	86	92.1 Å²	92.1	33%	0.325	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-71.5	137.3	169.1	-174.3	175.1	-60.9	156.7	7.9	111.4	D481 D485	R463-D481 WeakPolarHBondContact CB-OD2 3.33Å; R463-D481 PolarHBondContact N-OD2 3.44Å; R463-D485 IonicContact CZ-OD1 3.4Å; R463-D485 IonicContact CZ-OD2 2.64Å; R463-D485 IonicContact NH1-OD1 3.64Å; R463-D485 PolarHBondContact NH1-OD1 2.99Å; R463-D485 VanDerWaalsContact NH1-OD1 3.09Å; R463-D485 IonicContact NH2-OD1 3.24Å; R463-D485 PolarHBondContact NH2-OD1 3.15Å; R463-D485 IonicContact NH2-OD2 2.67Å; R463-D485 PolarHBondContact NH2-OD2 2.94Å
464	E	85.4	Confident	78.7	Confident	160 Å²	160	89.4 Å²	89.4	75%	0.748	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-70.4	132	169.5	-169.2	172.5	-163.4	0	0	110.5
465	R	88.7	Confident	81.1	Confident	42 Å²	42	85.3 Å²	85.3	16%	0.158	43%	0.433	C	S	.	.			trans	-123.5	132.5	-177	-65.3	-179	175.2	-103.1	2.4	108.9	E467 D481 E484	R465-E467 IonicContact NH1-OE1 3.65Å; R465-D481 IonicContact CZ-OD1 2.65Å; R465-D481 VanDerWaalsContact CZ-OD1 3.3Å; R465-D481 IonicContact NE-OD1 2.69Å; R465-D481 PolarHBondContact NE-OD1 3.21Å; R465-D481 VanDerWaalsContact NE-OD1 3.14Å; R465-D481 IonicContact NH2-OD1 3.73Å; R465-D481 PolarHBondContact NH2-OD1 3.13Å; R465-E484 IonicContact CZ-OE1 2.85Å; R465-E484 IonicContact CZ-OE2 3.62Å; R465-E484 IonicContact NH1-OE1 3.7Å; R465-E484 PolarHBondContact NH1-OE1 3Å; R465-E484 IonicContact NH1-OE2 3.32Å; R465-E484 PolarHBondContact NH1-OE2 3.46Å; R465-E484 IonicContact NH2-OE1 3.65Å; R465-E484 PolarHBondContact NH2-OE1 3.17Å; R465-E484 IonicContact NH2-OE2 2.73Å; R465-E484 PolarHBondContact NH2-OE2 2.94Å
466	M	80.6	Confident	83.4	Confident	175 Å²	175	81.2 Å²	81.2	86%	0.862	40%	0.397	S	S	*	.			trans	-98.8	20.8	179.8	-64.5	-63.6	-63.8	0	0	112.6
467	E	81.8	Confident	85.6	Confident	107 Å²	107	75.9 Å²	75.9	50%	0.5	37%	0.365	S	S	.	.			trans	-76.2	137.9	-179.6	-68.5	170.8	-147.8	0	0	110.2	R465 T469	R465-E467 IonicContact NH1-OE1 3.65Å; E467-T469 PolarHBondContact O-N 3.19Å; E467-T469 VanDerWaalsContact O-N 3.17Å
468	P	82.5	Confident	87.7	Confident	138 Å²	138	71.3 Å²	71.3	90%	0.896	35%	0.345	S	S	*	.			trans	-68	115.2	175.1	27.7	-32.3	0	0	0	109.7
469	T	90.5	Very high	89.4	Confident	72 Å²	72	70.1 Å²	70.1	44%	0.442	34%	0.337	S	S	.	.			trans	-118.3	163.1	177.3	61.3	0	0	0	0	111.3	E467 S473	E467-T469 PolarHBondContact O-N 3.19Å; E467-T469 VanDerWaalsContact O-N 3.17Å; T469-S473 WeakPolarHBondContact CB-O 3.41Å
470	Y	93.7	Very high	90.7	Very high	104 Å²	104	68.1 Å²	68.1	41%	0.408	33%	0.33	S	S	.	.			trans	-63.2	145.1	166.4	-63.8	-87.4	0	0	0	109.9	H295 A297 D298 L472 S473	H295-Y470 HydrophobicContact CB-CD2 4.25Å; H295-Y470 HydrophobicContact CB-CE2 3.82Å; H295-Y470 AromaticContact CD2-CD2 3.63Å; H295-Y470 AromaticContact CE1-CD1 3.91Å; H295-Y470 AromaticContact CE1-CD2 3.71Å; H295-Y470 AromaticContact CE1-CG 3.61Å; H295-Y470 AromaticContact CG-CD2 3.61Å; H295-Y470 AromaticContact CG-CE2 3.58Å; H295-Y470 AromaticContact ND1-CD2 3.65Å; H295-Y470 AromaticContact ND1-CE2 3.6Å; H295-Y470 AromaticContact ND1-CG 3.94Å; H295-Y470 AromaticContact ND1-CZ 3.82Å; H295-Y470 AromaticContact NE2-CD2 3.7Å; H295-Y470 AromaticContact NE2-CG 3.76Å; A297-Y470 HydrophobicContact CB-CE1 4.09Å; D298-Y470 PolarHBondContact OD1-OH 2.85Å; D298-Y470 PolarHBondContact OD2-OH 3.34Å; Y470-L472 PolarHBondContact O-N 3.34Å; Y470-L472 VanDerWaalsContact O-N 3.17Å; Y470-S473 CarbonylContact O-C 3.57Å; Y470-S473 PolarHBondContact O-N 3.46Å
471	Q	92.3	Very high	91.4	Very high	136 Å²	136	67.3 Å²	67.3	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.2	-175.8	-70	-178.2	-38.6	0	0	113.5	A377 R474	A377-Q471 HydrophobicContact CB-CG 4.41Å; Q471-R474 WeakPolarHBondContact O-CG 3.42Å; Q471-R474 PolarHBondContact O-NE 3.35Å; Q471-R474 VanDerWaalsContact O-NE 3.12Å
472	L	95.7	Very high	92.2	Very high	42 Å²	42	59.8 Å²	59.8	22%	0.22	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.2	179.7	-59.7	-177.8	0	0	0	113.9	L247 F357 E362 C365 Q369 Y470	L247-L472 HydrophobicContact CD1-CB 3.68Å; L247-L472 HydrophobicContact CD1-CD1 4.43Å; F357-L472 HydrophobicContact CE2-CD1 4.39Å; F357-L472 HydrophobicContact CZ-CD1 3.83Å; E362-L472 HydrophobicContact CG-CD1 4.32Å; C365-L472 HydrophobicContact CB-CB 4.21Å; C365-L472 HydrophobicContact CB-CD1 4.24Å; C365-L472 HydrophobicContact CB-CD2 4.17Å; C365-L472 HydrophobicContact CB-CG 4.44Å; Q369-L472 WeakPolarHBondContact CG-O 3.42Å; Q369-L472 PolarHBondContact NE2-O 2.83Å; Y470-L472 PolarHBondContact O-N 3.34Å; Y470-L472 VanDerWaalsContact O-N 3.17Å
473	S	96.4	Very high	92.7	Very high	28 Å²	28	56.8 Å²	56.8	20%	0.196	28%	0.279	C	S	.	.			trans	-137.5	50.1	-175.1	-53.6	0	0	0	0	110.4	H295 T469 Y470	H295-S473 PolarHBondContact CD2-OG 3.38Å; H295-S473 PolarHBondContact NE2-OG 2.96Å; T469-S473 WeakPolarHBondContact CB-O 3.41Å; Y470-S473 CarbonylContact O-C 3.57Å; Y470-S473 PolarHBondContact O-N 3.46Å
474	R	95.4	Very high	93.1	Very high	27 Å²	27	54.3 Å²	54.3	10%	0.102	27%	0.272	C	S	.	.			trans	-89	-30.8	-176.3	-64.5	-177.7	-73.2	146.7	-1.8	112.7	D370 M373 S375 D376 Q471	D370-R474 IonicContact OD1-CZ 2.79Å; D370-R474 IonicContact OD1-NH2 2.64Å; D370-R474 PolarHBondContact OD1-NH2 2.98Å; M373-R474 HydrophobicContact CE-CB 3.99Å; M373-R474 HydrophobicContact CG-CB 4.05Å; M373-R474 HydrophobicContact SD-CB 4.13Å; S375-R474 PolarHBondContact O-NH1 3.03Å; S375-R474 PolarHBondContact O-NH2 2.97Å; D376-R474 PolarHBondContact O-NH1 3.03Å; Q471-R474 WeakPolarHBondContact O-CG 3.42Å; Q471-R474 PolarHBondContact O-NE 3.35Å; Q471-R474 VanDerWaalsContact O-NE 3.12Å
475	W	96.3	Very high	93.7	Very high	15 Å²	15	47.8 Å²	47.8	6%	0.057	24%	0.242	C	C	.	.			trans	-61.1	137.9	177.9	179.2	-101.6	0	0	0	111.5	V240 S241 L244 A372 M373 I478	V240-W475 HydrophobicContact CB-CH2 3.95Å; V240-W475 HydrophobicContact CB-CZ2 3.71Å; V240-W475 HydrophobicContact CG1-CD2 4.03Å; V240-W475 HydrophobicContact CG1-CE3 4.2Å; V240-W475 HydrophobicContact CG1-CH2 3.76Å; V240-W475 HydrophobicContact CG1-CZ2 3.56Å; V240-W475 HydrophobicContact CG1-CZ3 4.07Å; V240-W475 HydrophobicContact CG2-CH2 4.35Å; S241-W475 PolarHBondContact OG-NE1 3.13Å; L244-W475 HydrophobicContact CD1-CB 3.63Å; L244-W475 HydrophobicContact CD1-CD2 3.87Å; L244-W475 HydrophobicContact CD1-CG 3.27Å; A372-W475 HydrophobicContact CB-CD2 4.26Å; A372-W475 HydrophobicContact CB-CE3 3.76Å; A372-W475 HydrophobicContact CB-CZ3 4.28Å; A372-W475 WeakPolarHBondContact O-CZ3 3.4Å; M373-W475 HydrophobicContact SD-CB 4.38Å; M373-W475 HydrophobicContact SD-CE3 4.1Å; W475-I478 HydrophobicContact CH2-CG1 4.42Å; W475-I478 HydrophobicContact CZ2-CG1 4.28Å
476	T	96.9	Very high	94	Very high	17 Å²	17	45.8 Å²	45.8	10%	0.104	23%	0.234	C	C	.	.			trans	-122.6	125.2	171.1	-61.9	0	0	0	0	107.7	I478 K480	T476-I478 PolarHBondContact O-N 3.34Å; T476-K480 HydrophobicContact CG2-CB 3.95Å; T476-K480 HydrophobicContact CG2-CD 3.6Å; T476-K480 HydrophobicContact CG2-CG 4.32Å
477	P	97.4	Very high	94.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.013	20%	0.201	C	C	.	.			trans	-55.2	137.1	177.5	-27.5	35.5	0	0	0	112.2	S241 I479 K480 E546	S241-P477 WeakPolarHBondContact OG-CA 3.4Å; S241-P477 WeakPolarHBondContact OG-CB 3.38Å; P477-I479 HydrophobicContact CB-CG2 4.11Å; P477-I479 PolarHBondContact O-N 3Å; P477-I479 VanDerWaalsContact O-N 3.13Å; P477-K480 WeakPolarHBondContact O-CB 3.27Å; P477-K480 PolarHBondContact O-N 3.23Å; P477-E546 HydrophobicContact CB-CG 4.01Å
478	I	96.6	Very high	95.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-32.8	-175.8	-66.6	175.7	0	0	0	111	D238 L460 R462 W475 T476 K480 D481 V482	D238-I478 HydrophobicContact CB-CB 4.16Å; D238-I478 HydrophobicContact CB-CD1 3.92Å; D238-I478 HydrophobicContact CB-CG1 4.31Å; D238-I478 PolarHBondContact OD2-N 3.08Å; D238-I478 VanDerWaalsContact OD2-N 3.13Å; L460-I478 HydrophobicContact CB-CD1 4.17Å; L460-I478 HydrophobicContact CB-CG2 3.79Å; L460-I478 HydrophobicContact CD1-CG2 3.95Å; L460-I478 WeakPolarHBondContact O-CD1 3.17Å; R462-I478 HydrophobicContact CB-CG1 4.44Å; W475-I478 HydrophobicContact CH2-CG1 4.42Å; W475-I478 HydrophobicContact CZ2-CG1 4.28Å; T476-I478 PolarHBondContact O-N 3.34Å; I478-K480 PolarHBondContact O-N 3.31Å; I478-K480 VanDerWaalsContact O-N 3.13Å; I478-D481 WeakPolarHBondContact O-CB 3.47Å; I478-D481 PolarHBondContact O-N 2.86Å; I478-V482 HydrophobicContact CG2-CG2 4.35Å; I478-V482 PolarHBondContact O-N 3.46Å
479	I	97.7	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-27	179.1	-164.9	66	0	0	0	112.8	L231 M233 P477 V482 M483 V536 E546 A549 I565	L231-I479 HydrophobicContact CD2-CD1 4.35Å; M233-I479 HydrophobicContact SD-CD1 3.7Å; P477-I479 HydrophobicContact CB-CG2 4.11Å; P477-I479 PolarHBondContact O-N 3Å; P477-I479 VanDerWaalsContact O-N 3.13Å; I479-V482 HydrophobicContact CD1-CB 4.33Å; I479-V482 HydrophobicContact CD1-CG1 4.49Å; I479-V482 PolarHBondContact O-N 2.84Å; I479-M483 HydrophobicContact CG1-CE 3.75Å; I479-M483 HydrophobicContact CG1-CG 4.3Å; I479-M483 HydrophobicContact CG1-SD 4.29Å; I479-M483 HydrophobicContact CG2-CE 4.45Å; I479-M483 WeakPolarHBondContact O-CB 3.41Å; I479-M483 WeakPolarHBondContact O-CG 3.26Å; I479-M483 PolarHBondContact O-N 3.36Å; I479-V536 HydrophobicContact CD1-CG1 3.62Å; I479-V536 HydrophobicContact CG1-CG1 4.04Å; I479-E546 HydrophobicContact CG2-CB 3.82Å; I479-E546 HydrophobicContact CG2-CG 3.79Å; I479-A549 HydrophobicContact CG2-CB 4.34Å; I479-I565 HydrophobicContact CG1-CD1 4.47Å
480	K	97.9	Very high	96.1	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-45	175	-170	178.2	173.8	176.3	0	111.2	T476 P477 I478 V482 M483 E484 A549 E552 V553	T476-K480 HydrophobicContact CG2-CB 3.95Å; T476-K480 HydrophobicContact CG2-CD 3.6Å; T476-K480 HydrophobicContact CG2-CG 4.32Å; P477-K480 WeakPolarHBondContact O-CB 3.27Å; P477-K480 PolarHBondContact O-N 3.23Å; I478-K480 PolarHBondContact O-N 3.31Å; I478-K480 VanDerWaalsContact O-N 3.13Å; K480-V482 VanDerWaalsContact C-N 3.27Å; K480-V482 PolarHBondContact O-N 3.05Å; K480-M483 PolarHBondContact O-N 3.4Å; K480-E484 WeakPolarHBondContact CE-OE1 3.28Å; K480-E484 WeakPolarHBondContact O-CG 3.42Å; K480-E484 PolarHBondContact O-N 3.26Å; K480-A549 HydrophobicContact CB-CB 3.91Å; K480-A549 HydrophobicContact CG-CB 4.26Å; K480-E552 WeakPolarHBondContact CE-OE2 3.32Å; K480-E552 IonicContact NZ-OE2 3.15Å; K480-E552 PolarHBondContact NZ-OE2 3.16Å; K480-V553 HydrophobicContact CG-CG2 3.96Å
481	D	97	Very high	96.1	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.043	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-44.4	175.8	-60.5	-16.9	0	0	0	110.1	R463 R465 I478 E484 D485	R463-D481 WeakPolarHBondContact CB-OD2 3.33Å; R463-D481 PolarHBondContact N-OD2 3.44Å; R465-D481 IonicContact CZ-OD1 2.65Å; R465-D481 VanDerWaalsContact CZ-OD1 3.3Å; R465-D481 IonicContact NE-OD1 2.69Å; R465-D481 PolarHBondContact NE-OD1 3.21Å; R465-D481 VanDerWaalsContact NE-OD1 3.14Å; R465-D481 IonicContact NH2-OD1 3.73Å; R465-D481 PolarHBondContact NH2-OD1 3.13Å; I478-D481 WeakPolarHBondContact O-CB 3.47Å; I478-D481 PolarHBondContact O-N 2.86Å; D481-E484 PolarHBondContact O-N 3.49Å; D481-D485 WeakPolarHBondContact O-CB 2.96Å; D481-D485 PolarHBondContact O-N 3.38Å
482	V	97.5	Very high	96.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-43.3	179.4	179.4	0	0	0	0	111.6	L231 I478 I479 K480 D485 V486 L491 W496	L231-V482 HydrophobicContact CD2-CG1 3.37Å; I478-V482 HydrophobicContact CG2-CG2 4.35Å; I478-V482 PolarHBondContact O-N 3.46Å; I479-V482 HydrophobicContact CD1-CB 4.33Å; I479-V482 HydrophobicContact CD1-CG1 4.49Å; I479-V482 PolarHBondContact O-N 2.84Å; K480-V482 VanDerWaalsContact C-N 3.27Å; K480-V482 PolarHBondContact O-N 3.05Å; V482-D485 PolarHBondContact O-N 3.23Å; V482-V486 WeakPolarHBondContact O-CG2 3.5Å; V482-V486 PolarHBondContact O-N 2.94Å; V482-L491 HydrophobicContact CG1-CD1 3.94Å; V482-L491 HydrophobicContact CG1-CD2 4.15Å; V482-W496 HydrophobicContact CG1-CH2 4.29Å; V482-W496 HydrophobicContact CG1-CZ2 3.97Å; V482-W496 HydrophobicContact CG2-CZ2 3.86Å
483	M	98.1	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-47	177.5	-73.6	165.7	172	0	0	111.8	I479 K480 D485 V486 V487 L534 V536 A549 A550 V553 V563 I565	I479-M483 HydrophobicContact CG1-CE 3.75Å; I479-M483 HydrophobicContact CG1-CG 4.3Å; I479-M483 HydrophobicContact CG1-SD 4.29Å; I479-M483 HydrophobicContact CG2-CE 4.45Å; I479-M483 WeakPolarHBondContact O-CB 3.41Å; I479-M483 WeakPolarHBondContact O-CG 3.26Å; I479-M483 PolarHBondContact O-N 3.36Å; K480-M483 PolarHBondContact O-N 3.4Å; M483-D485 VanDerWaalsContact C-N 3.3Å; M483-D485 PolarHBondContact O-N 3.37Å; M483-V486 PolarHBondContact O-N 3.13Å; M483-V487 WeakPolarHBondContact O-CG2 3.4Å; M483-V487 PolarHBondContact O-N 2.97Å; M483-V487 VanDerWaalsContact O-N 3.08Å; M483-L534 HydrophobicContact CB-CD2 4.08Å; M483-L534 HydrophobicContact CG-CD2 4.05Å; M483-V536 HydrophobicContact CE-CB 4.34Å; M483-V536 HydrophobicContact CE-CG2 3.92Å; M483-V536 HydrophobicContact CG-CG2 4.27Å; M483-A549 HydrophobicContact SD-CB 4.32Å; M483-A550 HydrophobicContact CE-CB 3.93Å; M483-A550 HydrophobicContact SD-CB 4.49Å; M483-V553 HydrophobicContact CB-CB 4.42Å; M483-V553 HydrophobicContact CB-CG1 4.22Å; M483-V553 HydrophobicContact CB-CG2 3.95Å; M483-V553 HydrophobicContact SD-CG2 4.37Å; M483-V563 HydrophobicContact CE-CG1 3.73Å; M483-V563 HydrophobicContact CG-CG1 4.07Å; M483-V563 HydrophobicContact SD-CG1 3.89Å; M483-I565 HydrophobicContact CE-CB 4.17Å; M483-I565 HydrophobicContact CE-CD1 3.76Å; M483-I565 HydrophobicContact CE-CG1 4.33Å
484	E	97.1	Very high	96	Very high	35 Å²	35	43.9 Å²	43.9	16%	0.164	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-41.9	175.4	-71.8	171.2	179.9	0	0	111.1	R465 K480 D481 V486 V487 E488 V553	R465-E484 IonicContact CZ-OE1 2.85Å; R465-E484 IonicContact CZ-OE2 3.62Å; R465-E484 IonicContact NH1-OE1 3.7Å; R465-E484 PolarHBondContact NH1-OE1 3Å; R465-E484 IonicContact NH1-OE2 3.32Å; R465-E484 PolarHBondContact NH1-OE2 3.46Å; R465-E484 IonicContact NH2-OE1 3.65Å; R465-E484 PolarHBondContact NH2-OE1 3.17Å; R465-E484 IonicContact NH2-OE2 2.73Å; R465-E484 PolarHBondContact NH2-OE2 2.94Å; K480-E484 WeakPolarHBondContact CE-OE1 3.28Å; K480-E484 WeakPolarHBondContact O-CG 3.42Å; K480-E484 PolarHBondContact O-N 3.26Å; D481-E484 PolarHBondContact O-N 3.49Å; E484-V486 VanDerWaalsContact C-N 3.34Å; E484-V486 PolarHBondContact O-N 3.35Å; E484-V487 PolarHBondContact O-N 3.3Å; E484-E488 WeakPolarHBondContact O-CB 3.22Å; E484-E488 WeakPolarHBondContact O-CG 3.41Å; E484-E488 PolarHBondContact O-N 2.87Å; E484-V553 HydrophobicContact CG-CG2 4.03Å
485	D	96.8	Very high	95.9	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-31.8	180	-72.8	-1.6	0	0	0	113.8	R463 D481 V482 M483 D489 R490 L491	R463-D485 IonicContact CZ-OD1 3.4Å; R463-D485 IonicContact CZ-OD2 2.64Å; R463-D485 IonicContact NH1-OD1 3.64Å; R463-D485 PolarHBondContact NH1-OD1 2.99Å; R463-D485 VanDerWaalsContact NH1-OD1 3.09Å; R463-D485 IonicContact NH2-OD1 3.24Å; R463-D485 PolarHBondContact NH2-OD1 3.15Å; R463-D485 IonicContact NH2-OD2 2.67Å; R463-D485 PolarHBondContact NH2-OD2 2.94Å; D481-D485 WeakPolarHBondContact O-CB 2.96Å; D481-D485 PolarHBondContact O-N 3.38Å; V482-D485 PolarHBondContact O-N 3.23Å; M483-D485 VanDerWaalsContact C-N 3.3Å; M483-D485 PolarHBondContact O-N 3.37Å; D485-D489 PolarHBondContact O-N 2.87Å; D485-R490 HydrophobicContact CB-CG 3.97Å; D485-R490 PolarHBondContact O-N 3.18Å; D485-R490 IonicContact OD1-CZ 2.8Å; D485-R490 VanDerWaalsContact OD1-CZ 3.29Å; D485-R490 IonicContact OD1-NE 2.7Å; D485-R490 PolarHBondContact OD1-NE 3.23Å; D485-R490 IonicContact OD1-NH2 3.22Å; D485-R490 PolarHBondContact OD1-NH2 2.8Å; D485-R490 VanDerWaalsContact OD1-NH2 3.09Å; D485-L491 HydrophobicContact CB-CB 3.98Å; D485-L491 HydrophobicContact CB-CD1 3.91Å; D485-L491 PolarHBondContact O-N 3.41Å; D485-L491 VanDerWaalsContact O-N 3.1Å
486	V	95.9	Very high	95.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-70.9	-46.2	172.9	174.9	0	0	0	0	110.8	Q229 V482 M483 E484 E488 D489 L491 L534	Q229-V486 HydrophobicContact CB-CG1 4.28Å; Q229-V486 HydrophobicContact CG-CG1 4.4Å; V482-V486 WeakPolarHBondContact O-CG2 3.5Å; V482-V486 PolarHBondContact O-N 2.94Å; M483-V486 PolarHBondContact O-N 3.13Å; E484-V486 VanDerWaalsContact C-N 3.34Å; E484-V486 PolarHBondContact O-N 3.35Å; V486-E488 PolarHBondContact O-N 3.34Å; V486-D489 PolarHBondContact O-N 3.46Å; V486-L491 HydrophobicContact CG2-CB 4.08Å; V486-L491 HydrophobicContact CG2-CD2 3.41Å; V486-L491 VanDerWaalsContact CG2-CD2 3.41Å; V486-L491 HydrophobicContact CG2-CG 4.27Å; V486-L534 HydrophobicContact CB-CD1 4.28Å; V486-L534 HydrophobicContact CB-CD2 3.92Å; V486-L534 HydrophobicContact CG1-CD1 3.73Å; V486-L534 HydrophobicContact CG1-CD2 4.05Å; V486-L534 HydrophobicContact CG1-CG 4.41Å; V486-L534 HydrophobicContact CG2-CD1 4.4Å; V486-L534 HydrophobicContact CG2-CD2 4.46Å
487	V	94.7	Very high	95.9	Very high	28 Å²	28	46.5 Å²	46.5	17%	0.17	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-36.9	179.7	164.6	0	0	0	0	111.4	M483 E484 V553 T557 W561	M483-V487 WeakPolarHBondContact O-CG2 3.4Å; M483-V487 PolarHBondContact O-N 2.97Å; M483-V487 VanDerWaalsContact O-N 3.08Å; E484-V487 PolarHBondContact O-N 3.3Å; V487-V553 HydrophobicContact CG2-CG1 4.1Å; V487-T557 HydrophobicContact CG1-CG2 3.49Å; V487-T557 VanDerWaalsContact CG1-CG2 3.49Å; V487-T557 HydrophobicContact CG2-CG2 4.4Å; V487-W561 HydrophobicContact CG1-CG 4.21Å; V487-W561 HydrophobicContact CG2-CB 4.1Å; V487-W561 HydrophobicContact CG2-CD2 4.1Å; V487-W561 HydrophobicContact CG2-CG 3.93Å
488	E	94.8	Very high	95.8	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	3	177.3	-66.7	-178.8	-137.1	0	0	114.2	E484 V486 R490	E484-E488 WeakPolarHBondContact O-CB 3.22Å; E484-E488 WeakPolarHBondContact O-CG 3.41Å; E484-E488 PolarHBondContact O-N 2.87Å; V486-E488 PolarHBondContact O-N 3.34Å; E488-R490 VanDerWaalsContact C-N 3.25Å; E488-R490 HydrophobicContact CB-CG 4.17Å; E488-R490 VanDerWaalsContact CD-CZ 3.42Å; E488-R490 PolarHBondContact O-N 3.39Å; E488-R490 IonicContact OE1-CZ 3.68Å; E488-R490 IonicContact OE1-NH1 3.3Å; E488-R490 IonicContact OE1-NH2 3.43Å; E488-R490 PolarHBondContact OE1-NH2 2.75Å; E488-R490 IonicContact OE2-CZ 3.91Å; E488-R490 IonicContact OE2-NE 2.99Å; E488-R490 IonicContact OE2-NH1 2.73Å; E488-R490 PolarHBondContact OE2-NH1 3.39Å; E488-R490 IonicContact OE2-NH2 3.87Å; E488-R490 PolarHBondContact OE2-NH2 3.35Å; E488-R490 VanDerWaalsContact OE2-NH2 3.09Å
489	D	93.7	Very high	95.8	Very high	115 Å²	115	48.8 Å²	48.8	62%	0.615	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	35.4	-178.1	-161.4	33.5	0	0	0	114.6	D485 V486	D485-D489 PolarHBondContact O-N 2.87Å; V486-D489 PolarHBondContact O-N 3.46Å
490	R	95.6	Very high	95.5	Very high	116 Å²	116	52 Å²	52	44%	0.438	25%	0.252	S	S	.	.			trans	-115.9	4.6	178.9	70.2	174.8	-174.9	-136.8	-30.1	114.5	D485 E488 D492	D485-R490 HydrophobicContact CB-CG 3.97Å; D485-R490 PolarHBondContact O-N 3.18Å; D485-R490 IonicContact OD1-CZ 2.8Å; D485-R490 VanDerWaalsContact OD1-CZ 3.29Å; D485-R490 IonicContact OD1-NE 2.7Å; D485-R490 PolarHBondContact OD1-NE 3.23Å; D485-R490 IonicContact OD1-NH2 3.22Å; D485-R490 PolarHBondContact OD1-NH2 2.8Å; D485-R490 VanDerWaalsContact OD1-NH2 3.09Å; E488-R490 VanDerWaalsContact C-N 3.25Å; E488-R490 HydrophobicContact CB-CG 4.17Å; E488-R490 VanDerWaalsContact CD-CZ 3.42Å; E488-R490 PolarHBondContact O-N 3.39Å; E488-R490 IonicContact OE1-CZ 3.68Å; E488-R490 IonicContact OE1-NH1 3.3Å; E488-R490 IonicContact OE1-NH2 3.43Å; E488-R490 PolarHBondContact OE1-NH2 2.75Å; E488-R490 IonicContact OE2-CZ 3.91Å; E488-R490 IonicContact OE2-NE 2.99Å; E488-R490 IonicContact OE2-NH1 2.73Å; E488-R490 PolarHBondContact OE2-NH1 3.39Å; E488-R490 IonicContact OE2-NH2 3.87Å; E488-R490 PolarHBondContact OE2-NH2 3.35Å; E488-R490 VanDerWaalsContact OE2-NH2 3.09Å; R490-D492 PolarHBondContact O-N 3.4Å
491	L	95.3	Very high	94.9	Very high	11 Å²	11	57 Å²	57	6%	0.058	28%	0.28	C	S	.	.			trans	-65	121.9	179.5	-174.4	69.6	0	0	0	111.4	R190 L231 V482 D485 V486 R493 W496	R190-L491 PolarHBondContact NH2-O 3.13Å; L231-L491 HydrophobicContact CD1-CD2 4.02Å; V482-L491 HydrophobicContact CG1-CD1 3.94Å; V482-L491 HydrophobicContact CG1-CD2 4.15Å; D485-L491 HydrophobicContact CB-CB 3.98Å; D485-L491 HydrophobicContact CB-CD1 3.91Å; D485-L491 PolarHBondContact O-N 3.41Å; D485-L491 VanDerWaalsContact O-N 3.1Å; V486-L491 HydrophobicContact CG2-CB 4.08Å; V486-L491 HydrophobicContact CG2-CD2 3.41Å; V486-L491 VanDerWaalsContact CG2-CD2 3.41Å; V486-L491 HydrophobicContact CG2-CG 4.27Å; L491-R493 PolarHBondContact O-N 3.32Å; L491-W496 VanDerWaalsContact CD1-CD1 3.46Å; L491-W496 HydrophobicContact CD1-CG 4.08Å; L491-W496 HydrophobicContact CD2-CB 3.64Å; L491-W496 HydrophobicContact CD2-CD2 4.09Å; L491-W496 HydrophobicContact CD2-CG 3.59Å; L491-W496 HydrophobicContact CG-CB 3.98Å; L491-W496 HydrophobicContact CG-CG 3.83Å
492	D	94.6	Very high	94	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	29%	0.294	S	S	.	.			trans	-55.7	119.9	-176.4	-179.2	9.8	0	0	0	112.5	R490 K494 L495 W496	R490-D492 PolarHBondContact O-N 3.4Å; D492-K494 VanDerWaalsContact C-N 3.28Å; D492-K494 PolarHBondContact O-N 2.97Å; D492-K494 WeakPolarHBondContact OD1-CB 3.24Å; D492-K494 PolarHBondContact OD1-N 2.93Å; D492-L495 HydrophobicContact CB-CB 4.48Å; D492-L495 PolarHBondContact O-N 2.98Å; D492-W496 WeakPolarHBondContact O-CB 3.42Å; D492-W496 PolarHBondContact O-N 3.31Å
493	R	94.6	Very high	92.8	Very high	141 Å²	141	62.8 Å²	62.8	53%	0.532	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.2	178.9	-62.9	-173.1	-178.9	-151.2	1.3	113.6	L491 W496 P497 F498	L491-R493 PolarHBondContact O-N 3.32Å; R493-W496 CarbonylContact O-C 3.51Å; R493-P497 VanDerWaalsContact O-CA 3.29Å; R493-P497 WeakPolarHBondContact O-CA 3.39Å; R493-F498 HydrophobicContact CG-CE2 4.49Å
494	K	92.3	Very high	91.3	Very high	169 Å²	169	68.8 Å²	68.8	74%	0.735	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.2	175.8	-66.7	-179.9	179.9	176	0	111.4	K193 D492	K193-K494 VanDerWaalsContact CD-O 3.24Å; K193-K494 WeakPolarHBondContact CD-O 3.26Å; D492-K494 VanDerWaalsContact C-N 3.28Å; D492-K494 PolarHBondContact O-N 2.97Å; D492-K494 WeakPolarHBondContact OD1-CB 3.24Å; D492-K494 PolarHBondContact OD1-N 2.93Å
495	L	92.8	Very high	89.5	Confident	83 Å²	83	71.7 Å²	71.7	44%	0.435	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-31.1	176.1	-67.1	176.5	0	0	0	112.1	K193 D492 P497	K193-L495 WeakPolarHBondContact CB-O 3.5Å; K193-L495 PolarHBondContact N-O 3.45Å; D492-L495 HydrophobicContact CB-CB 4.48Å; D492-L495 PolarHBondContact O-N 2.98Å; L495-P497 WeakPolarHBondContact O-CD 3.37Å
496	W	95.9	Very high	87.1	Confident	6 Å²	6	76.1 Å²	76.1	2%	0.023	41%	0.413	C	S	.	.	S	Bend	trans	-128.7	68.2	-176.8	-56.8	94.4	0	0	0	111.7	R190 Y191 R192 L231 M233 L460 V482 L491 D492 R493	R190-W496 VanDerWaalsContact CZ-O 3.27Å; R190-W496 PolarHBondContact NE-O 3.28Å; R190-W496 PolarHBondContact NH2-O 3.4Å; Y191-W496 WeakPolarHBondContact O-CA 3.29Å; R192-W496 HydrophobicContact CB-CE3 3.9Å; R192-W496 HydrophobicContact CB-CH2 3.84Å; R192-W496 HydrophobicContact CB-CZ2 4.48Å; R192-W496 HydrophobicContact CB-CZ3 3.51Å; R192-W496 HydrophobicContact CG-CE3 4.43Å; R192-W496 HydrophobicContact CG-CH2 4.03Å; R192-W496 HydrophobicContact CG-CZ2 4.23Å; R192-W496 HydrophobicContact CG-CZ3 4.14Å; L231-W496 HydrophobicContact CD1-CD2 4.09Å; L231-W496 HydrophobicContact CD1-CE3 3.35Å; L231-W496 HydrophobicContact CD1-CZ3 3.68Å; L231-W496 HydrophobicContact CD2-CE3 4.35Å; L231-W496 HydrophobicContact CD2-CH2 4.2Å; L231-W496 HydrophobicContact CD2-CZ3 3.91Å; L231-W496 HydrophobicContact CG-CE3 4Å; L231-W496 HydrophobicContact CG-CZ3 3.76Å; M233-W496 HydrophobicContact CB-CH2 4.02Å; M233-W496 HydrophobicContact CB-CZ3 4.2Å; M233-W496 HydrophobicContact CG-CH2 3.98Å; M233-W496 HydrophobicContact SD-CH2 3.99Å; L460-W496 HydrophobicContact CD1-CH2 4.35Å; L460-W496 HydrophobicContact CD1-CZ2 3.62Å; V482-W496 HydrophobicContact CG1-CH2 4.29Å; V482-W496 HydrophobicContact CG1-CZ2 3.97Å; V482-W496 HydrophobicContact CG2-CZ2 3.86Å; L491-W496 VanDerWaalsContact CD1-CD1 3.46Å; L491-W496 HydrophobicContact CD1-CG 4.08Å; L491-W496 HydrophobicContact CD2-CB 3.64Å; L491-W496 HydrophobicContact CD2-CD2 4.09Å; L491-W496 HydrophobicContact CD2-CG 3.59Å; L491-W496 HydrophobicContact CG-CB 3.98Å; L491-W496 HydrophobicContact CG-CG 3.83Å; D492-W496 WeakPolarHBondContact O-CB 3.42Å; D492-W496 PolarHBondContact O-N 3.31Å; R493-W496 CarbonylContact O-C 3.51Å
497	P	96.8	Very high	84.4	Confident	25 Å²	25	80.9 Å²	80.9	16%	0.162	45%	0.447	C	S	.	.			trans	-63.7	154.6	178.1	28.2	-37.5	0	0	0	112	R190 Y191 K193 R493 L495	R190-P497 VanDerWaalsContact CA-O 3.27Å; R190-P497 WeakPolarHBondContact CA-O 3.41Å; Y191-P497 HydrophobicContact CD1-CG 4.42Å; Y191-P497 HydrophobicContact CD2-CG 4.45Å; Y191-P497 HydrophobicContact CE1-CG 3.86Å; Y191-P497 HydrophobicContact CE2-CG 3.88Å; Y191-P497 PolarHBondContact N-O 3.21Å; Y191-P497 WeakPolarHBondContact O-CD 3.49Å; K193-P497 HydrophobicContact CB-CG 4.22Å; R493-P497 VanDerWaalsContact O-CA 3.29Å; R493-P497 WeakPolarHBondContact O-CA 3.39Å; L495-P497 WeakPolarHBondContact O-CD 3.37Å
498	F	96.8	Very high	82	Confident	29 Å²	29	85 Å²	85	13%	0.127	48%	0.477	C	S	.	.	B	Isolated β-bridge	trans	-81.3	147.5	166.3	-69.4	-92.5	0	0	0	109.9	I189 R190 R493 P502	I189-F498 WeakPolarHBondContact O-CA 3.45Å; R190-F498 VanDerWaalsContact CD-CZ 3.49Å; R190-F498 HydrophobicContact CG-CD1 3.45Å; R190-F498 VanDerWaalsContact CG-CD1 3.45Å; R190-F498 HydrophobicContact CG-CD2 4.3Å; R190-F498 HydrophobicContact CG-CE1 3.48Å; R190-F498 VanDerWaalsContact CG-CE1 3.48Å; R190-F498 HydrophobicContact CG-CE2 4.32Å; R190-F498 HydrophobicContact CG-CG 3.89Å; R190-F498 HydrophobicContact CG-CZ 3.93Å; R493-F498 HydrophobicContact CG-CE2 4.49Å; F498-P502 HydrophobicContact CD1-CG 4.12Å; F498-P502 HydrophobicContact CE1-CG 3.86Å; F498-P502 HydrophobicContact CZ-CG 4.26Å
499	V	95.9	Very high	79.3	Confident	26 Å²	26	88.5 Å²	88.5	16%	0.158	49%	0.493	C	S	.	.	S	Bend	trans	-69.2	-44.2	168.5	-178.3	0	0	0	0	110.1	I189 Y191 A202 L206	I189-V499 HydrophobicContact CB-CG2 4.12Å; I189-V499 HydrophobicContact CG2-CG2 3.76Å; I189-V499 PolarHBondContact O-N 3.06Å; Y191-V499 HydrophobicContact CD1-CG2 3.92Å; Y191-V499 HydrophobicContact CE1-CG2 4.13Å; A202-V499 HydrophobicContact CB-CG2 3.52Å; L206-V499 HydrophobicContact CB-CG1 4.32Å; L206-V499 HydrophobicContact CD2-CB 4.21Å; L206-V499 HydrophobicContact CD2-CG1 3.44Å; L206-V499 VanDerWaalsContact CD2-CG1 3.44Å
500	S	91.4	Very high	76.6	Confident	67 Å²	67	86.8 Å²	86.8	47%	0.469	50%	0.495	S	S	.	.	S	Bend	trans	-134.8	132.9	173.6	-63	0	0	0	0	108.4	L206	L206-S500 WeakPolarHBondContact CD2-OG 3.28Å
501	D	84.9	Confident	73.7	Confident	128 Å²	128	86 Å²	86	68%	0.684	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.7	136.1	177.3	-81.3	-45.3	0	0	0	110.5	A503	D501-A503 PolarHBondContact O-N 3.13Å
502	P	78.8	Confident	70.8	Confident	53 Å²	53	92.1 Å²	92.1	34%	0.344	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-57.1	139.7	175.1	-20.5	30.1	0	0	0	110.5	F498	F498-P502 HydrophobicContact CD1-CG 4.12Å; F498-P502 HydrophobicContact CE1-CG 3.86Å; F498-P502 HydrophobicContact CZ-CG 4.26Å
503	A	72.5	Confident	68.1	Low	83 Å²	83	93.1 Å²	93.1	69%	0.686	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-55.9	139.6	172.2	0	0	0	0	0	109.4	D501 V505	D501-A503 PolarHBondContact O-N 3.13Å; A503-V505 PolarHBondContact O-N 3.47Å
504	P	65.9	Low	65.3	Low	125 Å²	125	91.3 Å²	91.3	81%	0.812	58%	0.579	S	S	*	*			trans	-55.6	115.3	178.4	-20.1	29.2	0	0	0	109.2	P506	P504-P506 VanDerWaalsContact O-CD 3.32Å; P504-P506 WeakPolarHBondContact O-CD 3.3Å
505	V	58.8	Low	63	Low	97 Å²	97	93.3 Å²	93.3	59%	0.588	58%	0.582	S	S	*	*			trans	-64.5	120.4	173	-172.5	0	0	0	0	105.8	A503 S507	A503-V505 PolarHBondContact O-N 3.47Å; V505-S507 PolarHBondContact O-N 3.47Å
506	P	46.7	Very low	60.1	Low	114 Å²	114	99.7 Å²	99.7	74%	0.74	61%	0.606	S	S	*	*			trans	-58.2	116.6	173.7	21.2	-28.6	0	0	0	106.7	P504 S508	P504-P506 VanDerWaalsContact O-CD 3.32Å; P504-P506 WeakPolarHBondContact O-CD 3.3Å; P506-S508 PolarHBondContact O-N 3.39Å
507	S	38.9	Very low	57.2	Low	102 Å²	102	102.5 Å²	102.5	71%	0.713	64%	0.637	S	S	*	*			trans	-54.2	107.7	-179.4	58.3	0	0	0	0	108	V505 Q509	V505-S507 PolarHBondContact O-N 3.47Å; S507-Q509 PolarHBondContact O-N 3.36Å
508	S	46.2	Very low	54.4	Low	115 Å²	115	110.3 Å²	110.3	80%	0.804	67%	0.671	S	S	*	*			trans	-75.3	46.2	169.9	52.5	0	0	0	0	110.2	P506 A510	P506-S508 PolarHBondContact O-N 3.39Å; S508-A510 PolarHBondContact O-N 2.92Å
509	Q	37.8	Very low	51.7	Low	180 Å²	180	119.7 Å²	119.7	84%	0.841	71%	0.706	S	S	*	*			trans	-82.3	62.1	147.4	-72.1	-171.2	-9	0	0	107.5	S507 A511	S507-Q509 PolarHBondContact O-N 3.36Å; Q509-A511 PolarHBondContact O-N 3.22Å; Q509-A511 VanDerWaalsContact O-N 3.1Å
510	A	35.6	Very low	48.8	Very low	80 Å²	80	126.8 Å²	126.8	66%	0.661	74%	0.737	S	S	*	*			trans	-65.3	110.1	157.5	0	0	0	0	0	105.5	S508 V512	S508-A510 PolarHBondContact O-N 2.92Å; A510-V512 PolarHBondContact O-N 2.92Å
511	A	35.2	Very low	46.3	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	76%	0.756	S	S	*	*			trans	-52.5	110	169.9	0	0	0	0	0	108	Q509 S513	Q509-A511 PolarHBondContact O-N 3.22Å; Q509-A511 VanDerWaalsContact O-N 3.1Å; A511-S513 VanDerWaalsContact C-N 3.31Å; A511-S513 PolarHBondContact O-N 2.81Å
512	V	34.5	Very low	44	Very low	141 Å²	141	134.8 Å²	134.8	86%	0.855	77%	0.765	S	S	*	*			trans	-71.5	94	178	-164.6	0	0	0	0	106.8	A510 A514	A510-V512 PolarHBondContact O-N 2.92Å; V512-A514 PolarHBondContact O-N 3.42Å
513	S	37.2	Very low	41.7	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	79%	0.79	S	S	*	*			trans	-61	116	168.2	176.2	0	0	0	0	108.1	A511 R515	A511-S513 VanDerWaalsContact C-N 3.31Å; A511-S513 PolarHBondContact O-N 2.81Å; S513-R515 PolarHBondContact O-N 3.12Å
514	A	37.2	Very low	40	Very low	103 Å²	103	143.4 Å²	143.4	85%	0.851	80%	0.803	S	S	*	*	S	Bend	trans	-70.8	34.6	-179.7	0	0	0	0	0	113.7	V512	V512-A514 PolarHBondContact O-N 3.42Å
515	R	42.8	Very low	38.3	Very low	211 Å²	211	140.1 Å²	140.1	80%	0.796	79%	0.792	S	S	*	*			trans	-144.9	69.8	-175.8	-66.3	-173.6	179	-162.7	0.1	110.6	S513	S513-R515 PolarHBondContact O-N 3.12Å
516	F	33.6	Very low	37.4	Very low	217 Å²	217	143.6 Å²	143.6	95%	0.952	81%	0.805	S	S	*	*			trans	-168.1	125.9	139.9	-113.9	-81.3	0	0	0	109.2
517	G	33.1	Very low	36.7	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	80%	0.8	S	S	*	*			trans	-76.7	157.6	-167.3	0	0	0	0	0	115	W519	G517-W519 PolarHBondContact O-N 3.45Å; G517-W519 VanDerWaalsContact O-N 3.1Å
518	H	38.4	Very low	37	Very low	189 Å²	189	144 Å²	144	88%	0.875	80%	0.801	S	S	*	*			trans	-0.8	91.2	143.7	-88.3	70.4	0	0	0	116.3
519	W	41.5	Very low	37.3	Very low	225 Å²	225	145.6 Å²	145.6	85%	0.852	79%	0.79	S	S	*	*			trans	-158.6	126.7	149.4	-155.7	-103.4	0	0	0	109.7	G517	G517-W519 PolarHBondContact O-N 3.45Å; G517-W519 VanDerWaalsContact O-N 3.1Å
520	H	33.5	Very low	38.3	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.815	76%	0.76	S	S	*	*			trans	111.7	56.4	-176.8	-59.4	-63.5	0	0	0	115.9
521	K	39	Very low	40.2	Very low	199 Å²	199	135 Å²	135	87%	0.865	73%	0.734	S	S	*	*			trans	-93.8	98.8	144.7	-91.6	-176.4	176	177.8	0	107.8
522	N	36.2	Very low	42.8	Very low	163 Å²	163	130.4 Å²	130.4	87%	0.872	70%	0.696	S	S	*	*			trans	166.9	87.9	145.6	-87.3	-10.5	0	0	0	110.1
523	K	30.8	Very low	45.7	Very low	202 Å²	202	124.8 Å²	124.8	88%	0.878	66%	0.659	S	S	*	*			trans	-141.1	116.7	140.6	-108.2	-178.7	178.2	179.2	0	105.4	G525	K523-G525 PolarHBondContact O-N 2.74Å
524	A	36.9	Very low	48.6	Very low	116 Å²	116	120.3 Å²	120.3	96%	0.959	63%	0.628	S	S	*	*			trans	-61.7	91.2	164.8	0	0	0	0	0	106.9
525	G	31.2	Very low	51.5	Low	55 Å²	55	115.4 Å²	115.4	57%	0.567	59%	0.588	S	S	*	*			trans	-86.9	131.7	175.3	0	0	0	0	0	108.4	K523 E527	K523-G525 PolarHBondContact O-N 2.74Å; G525-E527 PolarHBondContact O-N 2.56Å
526	I	38.3	Very low	54.2	Low	171 Å²	171	105.3 Å²	105.3	88%	0.877	55%	0.55	S	S	*	.			trans	-41.9	109.5	165.8	-64.9	160.4	0	0	0	107.7	A528	I526-A528 PolarHBondContact O-N 3.07Å
527	E	33.9	Very low	57.3	Low	133 Å²	133	95 Å²	95	62%	0.621	50%	0.504	S	S	*	.			trans	-60.9	104.3	178.2	-72.7	-179.5	166.4	0	0	108.1	G525 R529	G525-E527 PolarHBondContact O-N 2.56Å; E527-R529 HydrophobicContact CB-CG 4.29Å; E527-R529 PolarHBondContact O-N 3.04Å; E527-R529 IonicContact OE2-CZ 3.16Å; E527-R529 VanDerWaalsContact OE2-CZ 3.31Å; E527-R529 IonicContact OE2-NE 2.77Å; E527-R529 PolarHBondContact OE2-NE 3.07Å; E527-R529 IonicContact OE2-NH2 3.23Å; E527-R529 PolarHBondContact OE2-NH2 3.37Å
528	A	43.8	Very low	60.4	Low	91 Å²	91	91.9 Å²	91.9	75%	0.752	47%	0.472	S	S	*	.			trans	-61.9	102.4	164.9	0	0	0	0	0	107.1	I526	I526-A528 PolarHBondContact O-N 3.07Å
529	R	52.5	Low	63.2	Low	148 Å²	148	83 Å²	83	56%	0.558	43%	0.431	S	S	*	.			trans	-105.1	5	-160.7	-120.9	-176.1	-161.1	-176.4	4.9	115.3	E527	E527-R529 HydrophobicContact CB-CG 4.29Å; E527-R529 PolarHBondContact O-N 3.04Å; E527-R529 IonicContact OE2-CZ 3.16Å; E527-R529 VanDerWaalsContact OE2-CZ 3.31Å; E527-R529 IonicContact OE2-NE 2.77Å; E527-R529 PolarHBondContact OE2-NE 3.07Å; E527-R529 IonicContact OE2-NH2 3.23Å; E527-R529 PolarHBondContact OE2-NH2 3.37Å
530	A	59.9	Low	65.7	Low	27 Å²	27	72.3 Å²	72.3	22%	0.223	39%	0.391	C	S	.	.			trans	-128	119.3	179.9	0	0	0	0	0	109	P3 E224	P3-A530 HydrophobicContact CB-CB 4.21Å; E224-A530 VanDerWaalsContact OE2-O 3.13Å
531	G	74.4	Confident	68.8	Low	10 Å²	10	64 Å²	64	10%	0.103	35%	0.353	C	S	.	.			trans	-59.3	-175.9	170.3	0	0	0	0	0	112.6	E224	E224-G531 WeakPolarHBondContact OE2-CA 3.39Å
532	P	90.9	Very high	71.6	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.019	31%	0.311	C	S	.	.			trans	-51.9	145.2	175.6	24	-37.1	0	0	0	112.6	E224 R227 K560 W561 E562	E224-P532 WeakPolarHBondContact O-CB 3.49Å; R227-P532 HydrophobicContact CB-CB 3.95Å; P532-K560 VanDerWaalsContact CD-O 3.3Å; P532-K560 WeakPolarHBondContact CD-O 3.49Å; P532-W561 HydrophobicContact CB-CD2 3.98Å; P532-W561 HydrophobicContact CB-CE3 3.75Å; P532-W561 HydrophobicContact CB-CH2 3.84Å; P532-W561 HydrophobicContact CB-CZ2 4.07Å; P532-W561 HydrophobicContact CB-CZ3 3.68Å; P532-W561 HydrophobicContact CG-CD2 3.55Å; P532-W561 HydrophobicContact CG-CE3 3.87Å; P532-W561 HydrophobicContact CG-CG 4.04Å; P532-W561 HydrophobicContact CG-CH2 4.15Å; P532-W561 HydrophobicContact CG-CZ2 3.86Å; P532-W561 HydrophobicContact CG-CZ3 4.16Å; P532-W561 WeakPolarHBondContact O-CA 3.49Å; P532-E562 PolarHBondContact O-N 3.17Å; P532-E562 VanDerWaalsContact O-N 3.15Å
533	R	94.9	Very high	74.6	Confident	22 Å²	22	46.9 Å²	46.9	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.5	178.9	-69	-174	172.8	131.1	-10.6	112	L183 E185 S228 Q229 E562	L183-R533 PolarHBondContact O-NH1 3.33Å; L183-R533 VanDerWaalsContact O-NH1 3.1Å; E185-R533 WeakPolarHBondContact OE1-CD 3.31Å; E185-R533 IonicContact OE1-CZ 3.28Å; E185-R533 IonicContact OE1-NE 3.55Å; E185-R533 IonicContact OE1-NH1 2.71Å; E185-R533 PolarHBondContact OE1-NH1 3.08Å; S228-R533 CarbonylContact C-O 3.6Å; S228-R533 WeakPolarHBondContact CA-O 3.19Å; S228-R533 WeakPolarHBondContact CB-O 3.39Å; S228-R533 PolarHBondContact OG-N 3.48Å; S228-R533 VanDerWaalsContact OG-N 3.13Å; Q229-R533 PolarHBondContact N-O 3.42Å; R533-E562 VanDerWaalsContact CA-O 3.31Å; R533-E562 WeakPolarHBondContact CA-O 3.41Å; R533-E562 HydrophobicContact CG-CB 4.25Å; R533-E562 IonicContact CZ-OE2 3.42Å; R533-E562 IonicContact NE-OE2 2.76Å; R533-E562 PolarHBondContact NE-OE2 3.35Å; R533-E562 IonicContact NH2-OE2 3.1Å; R533-E562 PolarHBondContact NH2-OE2 2.62Å
534	L	97.8	Very high	77.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.9	164.6	174.3	55.7	0	0	0	108.5	Q229 M483 V486 V536 W561 E562 V563 L564	Q229-L534 HydrophobicContact CB-CD1 4.19Å; M483-L534 HydrophobicContact CB-CD2 4.08Å; M483-L534 HydrophobicContact CG-CD2 4.05Å; V486-L534 HydrophobicContact CB-CD1 4.28Å; V486-L534 HydrophobicContact CB-CD2 3.92Å; V486-L534 HydrophobicContact CG1-CD1 3.73Å; V486-L534 HydrophobicContact CG1-CD2 4.05Å; V486-L534 HydrophobicContact CG1-CG 4.41Å; V486-L534 HydrophobicContact CG2-CD1 4.4Å; V486-L534 HydrophobicContact CG2-CD2 4.46Å; L534-V536 HydrophobicContact CD1-CG2 4.35Å; L534-V536 HydrophobicContact CD2-CG2 4.44Å; L534-V536 HydrophobicContact CG-CG2 4.04Å; L534-W561 HydrophobicContact CB-CE3 4.21Å; L534-W561 HydrophobicContact CB-CZ3 4.38Å; L534-E562 PolarHBondContact N-O 3.05Å; L534-V563 HydrophobicContact CB-CG1 4.44Å; L534-V563 HydrophobicContact CB-CG2 4.31Å; L534-V563 HydrophobicContact CD2-CG1 4.28Å; L534-V563 HydrophobicContact CD2-CG2 4.39Å; L534-V563 HydrophobicContact CG-CG1 4.33Å; L534-V563 CarbonylContact O-C 3.51Å; L534-V563 WeakPolarHBondContact O-CA 3.25Å; L534-L564 PolarHBondContact O-N 3.33Å
535	I	98.6	Very high	80.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	176.6	-54.9	176.3	0	0	0	108.1	F145 L179 L183 Q229 L230 L231 L564	F145-I535 HydrophobicContact CE1-CG2 4.05Å; F145-I535 HydrophobicContact CZ-CG2 4.2Å; L179-I535 HydrophobicContact CD2-CG2 4.09Å; L183-I535 HydrophobicContact CD1-CD1 4.32Å; Q229-I535 PolarHBondContact O-N 3.22Å; L230-I535 CarbonylContact C-O 3.55Å; L230-I535 VanDerWaalsContact CA-O 3.26Å; L230-I535 WeakPolarHBondContact CA-O 3.39Å; L230-I535 HydrophobicContact CB-CB 4.4Å; L230-I535 HydrophobicContact CD1-CB 4.42Å; L230-I535 HydrophobicContact CD1-CG2 4.16Å; L230-I535 HydrophobicContact CG-CB 4.31Å; L230-I535 HydrophobicContact CG-CG2 4.34Å; L231-I535 PolarHBondContact N-O 2.97Å; I535-L564 CarbonylContact C-O 3.45Å; I535-L564 WeakPolarHBondContact CA-O 3.44Å; I535-L564 HydrophobicContact CG1-CD1 4.43Å
536	V	98.8	Very high	84	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.1	178.3	178.6	0	0	0	0	109.1	L231 I479 M483 L534 I538 L564 I565 G566	L231-V536 HydrophobicContact CB-CG2 4.45Å; I479-V536 HydrophobicContact CD1-CG1 3.62Å; I479-V536 HydrophobicContact CG1-CG1 4.04Å; M483-V536 HydrophobicContact CE-CB 4.34Å; M483-V536 HydrophobicContact CE-CG2 3.92Å; M483-V536 HydrophobicContact CG-CG2 4.27Å; L534-V536 HydrophobicContact CD1-CG2 4.35Å; L534-V536 HydrophobicContact CD2-CG2 4.44Å; L534-V536 HydrophobicContact CG-CG2 4.04Å; V536-I538 HydrophobicContact CG1-CG1 4.28Å; V536-L564 PolarHBondContact N-O 3.23Å; V536-I565 HydrophobicContact CB-CB 4.32Å; V536-I565 HydrophobicContact CB-CG1 4.06Å; V536-I565 HydrophobicContact CG1-CD1 4.31Å; V536-I565 HydrophobicContact CG1-CG1 4.07Å; V536-I565 CarbonylContact O-C 3.58Å; V536-I565 WeakPolarHBondContact O-CA 3.32Å; V536-G566 PolarHBondContact O-N 3.16Å
537	Y	98.8	Very high	86.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.4	172.7	-176.4	-103.3	0	0	0	110.8	F145 L147 I176 L201 L231 I232 M233 V539 G566 S567 S568	F145-Y537 AromaticContact CE2-CD2 3.88Å; F145-Y537 HydrophobicContact CE2-CD2 3.88Å; F145-Y537 HydrophobicContact CE2-CE2 4.48Å; F145-Y537 HydrophobicContact CZ-CD2 4.14Å; L147-Y537 HydrophobicContact CD1-CD2 4.42Å; L147-Y537 HydrophobicContact CD1-CE2 3.44Å; L147-Y537 VanDerWaalsContact CD1-CE2 3.44Å; L147-Y537 HydrophobicContact CG-CE2 3.93Å; I176-Y537 HydrophobicContact CD1-CD1 3.6Å; I176-Y537 HydrophobicContact CD1-CD2 3.97Å; I176-Y537 HydrophobicContact CD1-CE1 3.74Å; I176-Y537 HydrophobicContact CD1-CE2 4.11Å; I176-Y537 HydrophobicContact CD1-CG 3.71Å; I176-Y537 HydrophobicContact CG1-CD2 4.18Å; I176-Y537 HydrophobicContact CG1-CE2 4.33Å; I176-Y537 HydrophobicContact CG1-CG 4.34Å; L201-Y537 HydrophobicContact CD2-CD1 3.85Å; L201-Y537 HydrophobicContact CD2-CE1 3.67Å; L231-Y537 PolarHBondContact O-N 2.9Å; I232-Y537 WeakPolarHBondContact CA-O 3.41Å; M233-Y537 PolarHBondContact N-O 2.94Å; Y537-V539 HydrophobicContact CD1-CG2 4.15Å; Y537-V539 HydrophobicContact CE1-CG2 3.84Å; Y537-G566 WeakPolarHBondContact CA-O 3.42Å; Y537-S567 VanDerWaalsContact CE2-CA 3.46Å; Y537-S568 PolarHBondContact OH-N 2.8Å
538	I	98.4	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.8	175.1	-54.5	-178.1	0	0	0	109.5	M233 V536 G541 V542 E546 I565 G566 S567	M233-I538 CarbonylContact O-C 3.54Å; M233-I538 VanDerWaalsContact O-CA 3.26Å; M233-I538 WeakPolarHBondContact O-CA 3.42Å; V536-I538 HydrophobicContact CG1-CG1 4.28Å; I538-G541 WeakPolarHBondContact CG2-O 3.43Å; I538-V542 HydrophobicContact CD1-CB 4.46Å; I538-V542 HydrophobicContact CD1-CG2 4.14Å; I538-E546 WeakPolarHBondContact CD1-OE2 3.42Å; I538-I565 HydrophobicContact CD1-CD1 4.14Å; I538-G566 PolarHBondContact N-O 2.8Å; I538-S567 WeakPolarHBondContact O-CA 3.28Å; I538-S567 VanDerWaalsContact O-CB 3.25Å; I538-S567 WeakPolarHBondContact O-CB 3.43Å; I538-S567 PolarHBondContact O-OG 3.22Å
539	V	96.7	Very high	92.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121	174.6	-172.5	0	0	0	0	109.2	L156 Y157 L201 I232 M233 R235 Y537	L156-V539 HydrophobicContact CD1-CG1 3.44Å; L156-V539 VanDerWaalsContact CD1-CG1 3.44Å; Y157-V539 WeakPolarHBondContact OH-CG1 3.49Å; L201-V539 HydrophobicContact CD2-CG2 3.73Å; I232-V539 HydrophobicContact CG2-CG2 4.26Å; M233-V539 PolarHBondContact O-N 3.11Å; R235-V539 WeakPolarHBondContact CB-O 3.45Å; R235-V539 PolarHBondContact N-O 2.81Å; Y537-V539 HydrophobicContact CD1-CG2 4.15Å; Y537-V539 HydrophobicContact CE1-CG2 3.84Å
540	G	94.7	Very high	94.7	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	34.4	178.2	0	0	0	0	0	114.7	R235	R235-G540 WeakPolarHBondContact CD-O 3.43Å; R235-G540 WeakPolarHBondContact CG-O 3.41Å
541	G	97.9	Very high	96.6	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.			trans	92.9	144.9	172.9	0	0	0	0	0	114.6	R235 I538 S567 H569 L571	R235-G541 WeakPolarHBondContact CD-O 3.42Å; R235-G541 PolarHBondContact NH1-O 2.93Å; I538-G541 WeakPolarHBondContact CG2-O 3.43Å; G541-S567 VanDerWaalsContact C-OG 3.24Å; G541-S567 WeakPolarHBondContact CA-OG 3.48Å; G541-S567 PolarHBondContact N-OG 3Å; G541-H569 WeakPolarHBondContact CA-O 3.32Å; G541-L571 VanDerWaalsContact C-CD1 3.44Å
542	V	98.7	Very high	97.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.4	173.8	60.2	0	0	0	0	110.5	I538 E546 M547 I565 H569 I570 L571	I538-V542 HydrophobicContact CD1-CB 4.46Å; I538-V542 HydrophobicContact CD1-CG2 4.14Å; V542-E546 HydrophobicContact CG2-CB 3.79Å; V542-M547 HydrophobicContact CG1-CG 4.42Å; V542-M547 HydrophobicContact CG2-CG 4.1Å; V542-I565 HydrophobicContact CG2-CD1 3.64Å; V542-I565 HydrophobicContact CG2-CG1 3.99Å; V542-H569 PolarHBondContact N-O 3.05Å; V542-I570 HydrophobicContact CG1-CD1 3.52Å; V542-L571 WeakPolarHBondContact O-CB 3.36Å; V542-L571 PolarHBondContact O-N 3.27Å
543	A	98.6	Very high	97.9	Very high	4 Å²	4	6.2 Å²	6.2	3%	0.033	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	154.8	177.5	0	0	0	0	0	111.8	P242 S545 E546 M547	P242-A543 HydrophobicContact CB-CB 4.36Å; P242-A543 HydrophobicContact CG-CB 4.37Å; A543-S545 VanDerWaalsContact C-N 3.25Å; A543-S545 PolarHBondContact O-N 2.96Å; A543-E546 HydrophobicContact CB-CG 4.25Å; A543-E546 PolarHBondContact N-OE2 3.43Å; A543-E546 WeakPolarHBondContact O-CB 3.33Å; A543-E546 PolarHBondContact O-N 2.85Å; A543-M547 PolarHBondContact O-N 3.17Å
544	M	98.7	Very high	98	Very high	10 Å²	10	6 Å²	6	5%	0.049	3%	0.03	C	C	.	.	H	α-helix	trans	-66	-25.3	-178.5	-67	-173.7	172.1	0	0	113.9	Q250 A251 Y254 E546 M547 R548 I570	Q250-M544 HydrophobicContact CG-CE 4.45Å; Q250-M544 HydrophobicContact CG-SD 3.67Å; A251-M544 HydrophobicContact CB-CB 3.71Å; Y254-M544 HydrophobicContact CD1-CE 3.44Å; Y254-M544 VanDerWaalsContact CD1-CE 3.44Å; Y254-M544 HydrophobicContact CD2-CE 3.77Å; Y254-M544 HydrophobicContact CD2-SD 3.97Å; Y254-M544 HydrophobicContact CE1-CE 3.92Å; Y254-M544 HydrophobicContact CE2-CE 4.23Å; Y254-M544 HydrophobicContact CG-CE 3.34Å; Y254-M544 HydrophobicContact CG-SD 3.83Å; M544-E546 VanDerWaalsContact C-N 3.35Å; M544-M547 HydrophobicContact CB-SD 4.43Å; M544-M547 HydrophobicContact CG-SD 4Å; M544-M547 WeakPolarHBondContact O-CB 3.45Å; M544-M547 PolarHBondContact O-N 3.26Å; M544-R548 WeakPolarHBondContact O-CB 3.47Å; M544-R548 PolarHBondContact O-N 2.8Å; M544-I570 HydrophobicContact CE-CG2 4.05Å; M544-I570 HydrophobicContact CG-CG2 4.29Å
545	S	98.6	Very high	97.9	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-69.4	-33.1	171.6	53.7	0	0	0	0	112.7	E246 A543 R548 A549	E246-S545 VanDerWaalsContact OE1-CB 3.26Å; E246-S545 WeakPolarHBondContact OE1-CB 3.35Å; A543-S545 VanDerWaalsContact C-N 3.25Å; A543-S545 PolarHBondContact O-N 2.96Å; S545-R548 WeakPolarHBondContact O-CB 3.26Å; S545-R548 PolarHBondContact O-N 3.4Å; S545-A549 PolarHBondContact O-N 3.44Å; S545-A549 VanDerWaalsContact O-N 3.09Å
546	E	98.8	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-73.4	-38.1	174	-61.2	176.2	134	0	0	111.4	R235 P477 I479 I538 V542 A543 M544 R548 A549 A550 I565	R235-E546 IonicContact CZ-OE1 3.67Å; R235-E546 IonicContact CZ-OE2 3.75Å; R235-E546 IonicContact NH1-OE1 3.58Å; R235-E546 PolarHBondContact NH1-OE1 3.47Å; R235-E546 IonicContact NH1-OE2 3.82Å; R235-E546 PolarHBondContact NH1-OE2 3.39Å; R235-E546 IonicContact NH2-OE1 3.21Å; R235-E546 PolarHBondContact NH2-OE1 3.03Å; R235-E546 IonicContact NH2-OE2 3.58Å; P477-E546 HydrophobicContact CB-CG 4.01Å; I479-E546 HydrophobicContact CG2-CB 3.82Å; I479-E546 HydrophobicContact CG2-CG 3.79Å; I538-E546 WeakPolarHBondContact CD1-OE2 3.42Å; V542-E546 HydrophobicContact CG2-CB 3.79Å; A543-E546 HydrophobicContact CB-CG 4.25Å; A543-E546 PolarHBondContact N-OE2 3.43Å; A543-E546 WeakPolarHBondContact O-CB 3.33Å; A543-E546 PolarHBondContact O-N 2.85Å; M544-E546 VanDerWaalsContact C-N 3.35Å; E546-R548 VanDerWaalsContact C-N 3.34Å; E546-A549 WeakPolarHBondContact O-CB 3.19Å; E546-A549 PolarHBondContact O-N 3.29Å; E546-A550 PolarHBondContact O-N 3.06Å; E546-I565 HydrophobicContact CB-CD1 3.96Å
547	M	98.8	Very high	97.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56.5	-49.6	169.7	-68	164.9	50.5	0	0	110.7	Y140 E141 V144 V542 A543 M544 A549 A550 Y551 I570	Y140-M547 HydrophobicContact CD1-CE 3.99Å; Y140-M547 HydrophobicContact CE1-CE 3.78Å; E141-M547 HydrophobicContact CG-CE 4.39Å; E141-M547 WeakPolarHBondContact OE2-CE 3.3Å; V144-M547 HydrophobicContact CB-CE 4.44Å; V144-M547 HydrophobicContact CG1-CE 4.1Å; V144-M547 HydrophobicContact CG1-CG 3.95Å; V144-M547 HydrophobicContact CG1-SD 4.22Å; V144-M547 HydrophobicContact CG2-CB 4Å; V144-M547 HydrophobicContact CG2-CE 4.07Å; V144-M547 HydrophobicContact CG2-CG 3.95Å; V542-M547 HydrophobicContact CG1-CG 4.42Å; V542-M547 HydrophobicContact CG2-CG 4.1Å; A543-M547 PolarHBondContact O-N 3.17Å; M544-M547 HydrophobicContact CB-SD 4.43Å; M544-M547 HydrophobicContact CG-SD 4Å; M544-M547 WeakPolarHBondContact O-CB 3.45Å; M544-M547 PolarHBondContact O-N 3.26Å; M547-A549 VanDerWaalsContact C-N 3.28Å; M547-A549 PolarHBondContact O-N 2.95Å; M547-A550 WeakPolarHBondContact O-CB 3.38Å; M547-A550 PolarHBondContact O-N 2.91Å; M547-A550 VanDerWaalsContact O-N 3.16Å; M547-Y551 WeakPolarHBondContact O-CD2 3.24Å; M547-I570 HydrophobicContact SD-CD1 4.06Å; M547-I570 HydrophobicContact SD-CG2 3.68Å
548	R	98.7	Very high	97	Very high	17 Å²	17	26 Å²	26	6%	0.064	13%	0.132	C	C	.	.	H	α-helix	trans	-55.8	-41.6	176	-178.9	-175.4	71.3	-123.2	-1.1	112.3	E246 T248 H293 M544 S545 E546 A550 Y551 E552	E246-R548 IonicContact OE2-CZ 3.91Å; E246-R548 IonicContact OE2-NH1 3.19Å; E246-R548 PolarHBondContact OE2-NH1 3.15Å; E246-R548 IonicContact OE2-NH2 3.57Å; E246-R548 PolarHBondContact OE2-NH2 2.86Å; E246-R548 VanDerWaalsContact OE2-NH2 3.1Å; T248-R548 VanDerWaalsContact CG2-NH1 3.33Å; T248-R548 PolarHBondContact OG1-NH1 3.34Å; H293-R548 HydrophobicContact CB-CG 3.94Å; M544-R548 WeakPolarHBondContact O-CB 3.47Å; M544-R548 PolarHBondContact O-N 2.8Å; S545-R548 WeakPolarHBondContact O-CB 3.26Å; S545-R548 PolarHBondContact O-N 3.4Å; E546-R548 VanDerWaalsContact C-N 3.34Å; R548-A550 VanDerWaalsContact C-N 3.27Å; R548-A550 PolarHBondContact O-N 3.38Å; R548-Y551 PolarHBondContact O-N 3.34Å; R548-Y551 VanDerWaalsContact O-N 3.12Å; R548-E552 WeakPolarHBondContact CD-OE1 3.24Å; R548-E552 HydrophobicContact CG-CG 4.32Å; R548-E552 WeakPolarHBondContact CG-OE1 3.47Å; R548-E552 IonicContact NE-OE1 3.85Å; R548-E552 PolarHBondContact NE-OE1 3.28Å; R548-E552 VanDerWaalsContact NE-OE1 3.14Å; R548-E552 PolarHBondContact O-N 2.82Å
549	A	98.4	Very high	96.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-37.4	179.4	0	0	0	0	0	112.8	I479 K480 M483 S545 E546 M547 Y551 E552 V553	I479-A549 HydrophobicContact CG2-CB 4.34Å; K480-A549 HydrophobicContact CB-CB 3.91Å; K480-A549 HydrophobicContact CG-CB 4.26Å; M483-A549 HydrophobicContact SD-CB 4.32Å; S545-A549 PolarHBondContact O-N 3.44Å; S545-A549 VanDerWaalsContact O-N 3.09Å; E546-A549 WeakPolarHBondContact O-CB 3.19Å; E546-A549 PolarHBondContact O-N 3.29Å; M547-A549 VanDerWaalsContact C-N 3.28Å; M547-A549 PolarHBondContact O-N 2.95Å; A549-Y551 VanDerWaalsContact C-N 3.34Å; A549-Y551 PolarHBondContact O-N 3.08Å; A549-E552 PolarHBondContact O-N 2.93Å; A549-V553 WeakPolarHBondContact O-CG2 3.33Å; A549-V553 PolarHBondContact O-N 2.96Å
550	A	98.3	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-42.3	176	0	0	0	0	0	112.4	M483 E546 M547 R548 T554 V563 I565	M483-A550 HydrophobicContact CE-CB 3.93Å; M483-A550 HydrophobicContact SD-CB 4.49Å; E546-A550 PolarHBondContact O-N 3.06Å; M547-A550 WeakPolarHBondContact O-CB 3.38Å; M547-A550 PolarHBondContact O-N 2.91Å; M547-A550 VanDerWaalsContact O-N 3.16Å; R548-A550 VanDerWaalsContact C-N 3.27Å; R548-A550 PolarHBondContact O-N 3.38Å; A550-T554 WeakPolarHBondContact O-CB 3.24Å; A550-T554 PolarHBondContact O-N 3.24Å; A550-T554 PolarHBondContact O-OG1 3.41Å; A550-V563 HydrophobicContact CB-CB 4.22Å; A550-V563 HydrophobicContact CB-CG1 3.84Å; A550-I565 HydrophobicContact CB-CB 4.13Å; A550-I565 HydrophobicContact CB-CG2 3.6Å
551	Y	97.9	Very high	95.8	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.071	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-38.9	175.4	-71.8	-87	0	0	0	112.4	E141 A142 Q143 V144 R292 H293 M547 R548 A549 R555	E141-Y551 WeakPolarHBondContact CB-OH 3.48Å; E141-Y551 WeakPolarHBondContact OE2-CE2 3.5Å; A142-Y551 PolarHBondContact N-OH 3.34Å; Q143-Y551 HydrophobicContact CB-CE1 3.92Å; Q143-Y551 HydrophobicContact CB-CE2 4.1Å; Q143-Y551 HydrophobicContact CG-CD1 4.28Å; Q143-Y551 HydrophobicContact CG-CE1 3.72Å; Q143-Y551 PolarHBondContact N-OH 3.43Å; Q143-Y551 VanDerWaalsContact OE1-CE1 3.22Å; V144-Y551 HydrophobicContact CG2-CE2 3.98Å; R292-Y551 VanDerWaalsContact NH2-CZ 3.25Å; R292-Y551 PolarHBondContact NH2-OH 3.28Å; H293-Y551 AromaticContact CD2-CD2 3.84Å; H293-Y551 AromaticContact CD2-CG 3.78Å; H293-Y551 AromaticContact CE1-CD2 3.89Å; H293-Y551 AromaticContact NE2-CD2 3.11Å; H293-Y551 WeakPolarHBondContact NE2-CD2 3.39Å; H293-Y551 AromaticContact NE2-CE2 3.44Å; H293-Y551 WeakPolarHBondContact NE2-CE2 3.48Å; H293-Y551 AromaticContact NE2-CG 3.5Å; M547-Y551 WeakPolarHBondContact O-CD2 3.24Å; R548-Y551 PolarHBondContact O-N 3.34Å; R548-Y551 VanDerWaalsContact O-N 3.12Å; A549-Y551 VanDerWaalsContact C-N 3.34Å; A549-Y551 PolarHBondContact O-N 3.08Å; Y551-R555 WeakPolarHBondContact O-CB 3.47Å; Y551-R555 VanDerWaalsContact O-CG 3.26Å; Y551-R555 WeakPolarHBondContact O-CG 3.26Å; Y551-R555 PolarHBondContact O-N 2.88Å; Y551-R555 PolarHBondContact O-NE 2.94Å
552	E	97.4	Very high	95.7	Very high	49 Å²	49	36 Å²	36	23%	0.229	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-50	175.7	-71.4	175.5	-170.1	0	0	111.7	K480 R548 A549 R555 A556	K480-E552 WeakPolarHBondContact CE-OE2 3.32Å; K480-E552 IonicContact NZ-OE2 3.15Å; K480-E552 PolarHBondContact NZ-OE2 3.16Å; R548-E552 WeakPolarHBondContact CD-OE1 3.24Å; R548-E552 HydrophobicContact CG-CG 4.32Å; R548-E552 WeakPolarHBondContact CG-OE1 3.47Å; R548-E552 IonicContact NE-OE1 3.85Å; R548-E552 PolarHBondContact NE-OE1 3.28Å; R548-E552 VanDerWaalsContact NE-OE1 3.14Å; R548-E552 PolarHBondContact O-N 2.82Å; A549-E552 PolarHBondContact O-N 2.93Å; E552-R555 PolarHBondContact O-N 3.19Å; E552-A556 WeakPolarHBondContact O-CB 3.26Å; E552-A556 PolarHBondContact O-N 3.22Å
553	V	97.3	Very high	95.6	Very high	4 Å²	4	36 Å²	36	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-43.1	-180	177.5	0	0	0	0	111	K480 M483 E484 V487 A549 R555 A556 T557 V563	K480-V553 HydrophobicContact CG-CG2 3.96Å; M483-V553 HydrophobicContact CB-CB 4.42Å; M483-V553 HydrophobicContact CB-CG1 4.22Å; M483-V553 HydrophobicContact CB-CG2 3.95Å; M483-V553 HydrophobicContact SD-CG2 4.37Å; E484-V553 HydrophobicContact CG-CG2 4.03Å; V487-V553 HydrophobicContact CG2-CG1 4.1Å; A549-V553 WeakPolarHBondContact O-CG2 3.33Å; A549-V553 PolarHBondContact O-N 2.96Å; V553-R555 VanDerWaalsContact C-N 3.32Å; V553-R555 PolarHBondContact O-N 3.22Å; V553-A556 PolarHBondContact O-N 3.16Å; V553-T557 WeakPolarHBondContact O-CG2 3.48Å; V553-T557 PolarHBondContact O-N 3.43Å; V553-V563 HydrophobicContact CB-CG2 4.19Å; V553-V563 HydrophobicContact CG1-CG2 3.88Å
554	T	96	Very high	95.6	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-46.5	175.7	-61.5	0	0	0	0	111.6	Q143 A550 T557 G559 V563	Q143-T554 PolarHBondContact NE2-OG1 3.32Å; A550-T554 WeakPolarHBondContact O-CB 3.24Å; A550-T554 PolarHBondContact O-N 3.24Å; A550-T554 PolarHBondContact O-OG1 3.41Å; T554-T557 PolarHBondContact O-N 3.25Å; T554-T557 PolarHBondContact O-OG1 3.27Å; T554-G559 PolarHBondContact O-N 3.03Å; T554-V563 WeakPolarHBondContact OG1-CB 3.48Å; T554-V563 PolarHBondContact OG1-N 2.94Å
555	R	95.3	Very high	95.6	Very high	154 Å²	154	35.4 Å²	35.4	58%	0.581	18%	0.184	S	C	*	.	H	α-helix	trans	-65.7	-40.3	176.8	-72.7	-178.3	-61.8	-174.6	5.2	112.4	Y551 E552 V553 T557 E558	Y551-R555 WeakPolarHBondContact O-CB 3.47Å; Y551-R555 VanDerWaalsContact O-CG 3.26Å; Y551-R555 WeakPolarHBondContact O-CG 3.26Å; Y551-R555 PolarHBondContact O-N 2.88Å; Y551-R555 PolarHBondContact O-NE 2.94Å; E552-R555 PolarHBondContact O-N 3.19Å; V553-R555 VanDerWaalsContact C-N 3.32Å; V553-R555 PolarHBondContact O-N 3.22Å; R555-T557 PolarHBondContact O-N 3.31Å; R555-E558 PolarHBondContact O-N 2.95Å
556	A	94.8	Very high	95.6	Very high	81 Å²	81	35.3 Å²	35.3	67%	0.669	18%	0.184	S	C	*	.	H	α-helix	trans	-63.3	-29.3	179.1	0	0	0	0	0	112.7	E552 V553 E558	E552-A556 WeakPolarHBondContact O-CB 3.26Å; E552-A556 PolarHBondContact O-N 3.22Å; V553-A556 PolarHBondContact O-N 3.16Å; A556-E558 PolarHBondContact O-N 2.74Å
557	T	92.9	Very high	95.6	Very high	20 Å²	20	35.3 Å²	35.3	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.4	173.5	70.5	0	0	0	0	114.2	V487 V553 T554 R555 G559 K560 W561	V487-T557 HydrophobicContact CG1-CG2 3.49Å; V487-T557 VanDerWaalsContact CG1-CG2 3.49Å; V487-T557 HydrophobicContact CG2-CG2 4.4Å; V553-T557 WeakPolarHBondContact O-CG2 3.48Å; V553-T557 PolarHBondContact O-N 3.43Å; T554-T557 PolarHBondContact O-N 3.25Å; T554-T557 PolarHBondContact O-OG1 3.27Å; R555-T557 PolarHBondContact O-N 3.31Å; T557-G559 PolarHBondContact O-N 3.48Å; T557-K560 WeakPolarHBondContact O-CB 3.34Å; T557-K560 VanDerWaalsContact O-CG 3.27Å; T557-K560 WeakPolarHBondContact O-CG 3.42Å; T557-K560 PolarHBondContact O-N 2.64Å; T557-K560 VanDerWaalsContact O-N 3.08Å; T557-W561 HydrophobicContact CG2-CB 4.24Å; T557-W561 PolarHBondContact OG1-N 3.47Å; T557-W561 PolarHBondContact OG1-O 2.92Å
558	E	89.8	Confident	95.6	Very high	165 Å²	165	35.3 Å²	35.3	77%	0.771	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.5	-173.7	-56	179.2	156.2	0	0	112.7	R555 A556 K560	R555-E558 PolarHBondContact O-N 2.95Å; A556-E558 PolarHBondContact O-N 2.74Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 2.77Å
559	G	81.3	Confident	95.5	Very high	47 Å²	47	34.6 Å²	34.6	49%	0.485	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.2	-178.7	0	0	0	0	0	115.1	T554 T557 W561	T554-G559 PolarHBondContact O-N 3.03Å; T557-G559 PolarHBondContact O-N 3.48Å; G559-W561 VanDerWaalsContact C-N 3.28Å
560	K	89.4	Confident	95.5	Very high	138 Å²	138	35.2 Å²	35.2	60%	0.6	18%	0.184	S	C	*	.	S	Bend	trans	-66.3	-31.9	171.9	-69.1	171	-173.5	160.3	0	112.3	P532 T557 E558	P532-K560 VanDerWaalsContact CD-O 3.3Å; P532-K560 WeakPolarHBondContact CD-O 3.49Å; T557-K560 WeakPolarHBondContact O-CB 3.34Å; T557-K560 VanDerWaalsContact O-CG 3.27Å; T557-K560 WeakPolarHBondContact O-CG 3.42Å; T557-K560 PolarHBondContact O-N 2.64Å; T557-K560 VanDerWaalsContact O-N 3.08Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 2.77Å
561	W	93.6	Very high	95.5	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.061	19%	0.185	C	C	.	.	S	Bend	trans	-121.1	137.2	171	-77.9	84.2	0	0	0	109.5	R227 V487 P532 L534 T557 G559	R227-W561 WeakPolarHBondContact O-CH2 3.35Å; V487-W561 HydrophobicContact CG1-CG 4.21Å; V487-W561 HydrophobicContact CG2-CB 4.1Å; V487-W561 HydrophobicContact CG2-CD2 4.1Å; V487-W561 HydrophobicContact CG2-CG 3.93Å; P532-W561 HydrophobicContact CB-CD2 3.98Å; P532-W561 HydrophobicContact CB-CE3 3.75Å; P532-W561 HydrophobicContact CB-CH2 3.84Å; P532-W561 HydrophobicContact CB-CZ2 4.07Å; P532-W561 HydrophobicContact CB-CZ3 3.68Å; P532-W561 HydrophobicContact CG-CD2 3.55Å; P532-W561 HydrophobicContact CG-CE3 3.87Å; P532-W561 HydrophobicContact CG-CG 4.04Å; P532-W561 HydrophobicContact CG-CH2 4.15Å; P532-W561 HydrophobicContact CG-CZ2 3.86Å; P532-W561 HydrophobicContact CG-CZ3 4.16Å; P532-W561 WeakPolarHBondContact O-CA 3.49Å; L534-W561 HydrophobicContact CB-CE3 4.21Å; L534-W561 HydrophobicContact CB-CZ3 4.38Å; T557-W561 HydrophobicContact CG2-CB 4.24Å; T557-W561 PolarHBondContact OG1-N 3.47Å; T557-W561 PolarHBondContact OG1-O 2.92Å; G559-W561 VanDerWaalsContact C-N 3.28Å
562	E	95.5	Very high	95.6	Very high	13 Å²	13	36 Å²	36	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.5	169.9	177.9	176.8	-137.5	0	0	108.7	P532 R533 L534 L564	P532-E562 PolarHBondContact O-N 3.17Å; P532-E562 VanDerWaalsContact O-N 3.15Å; R533-E562 VanDerWaalsContact CA-O 3.31Å; R533-E562 WeakPolarHBondContact CA-O 3.41Å; R533-E562 HydrophobicContact CG-CB 4.25Å; R533-E562 IonicContact CZ-OE2 3.42Å; R533-E562 IonicContact NE-OE2 2.76Å; R533-E562 PolarHBondContact NE-OE2 3.35Å; R533-E562 IonicContact NH2-OE2 3.1Å; R533-E562 PolarHBondContact NH2-OE2 2.62Å; L534-E562 PolarHBondContact N-O 3.05Å; E562-L564 HydrophobicContact CG-CD2 4.06Å; E562-L564 HydrophobicContact CG-CG 4.43Å
563	V	97.8	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.8	177.4	-173.2	0	0	0	0	109	Q143 M483 L534 A550 V553 T554	Q143-V563 PolarHBondContact NE2-O 3.24Å; M483-V563 HydrophobicContact CE-CG1 3.73Å; M483-V563 HydrophobicContact CG-CG1 4.07Å; M483-V563 HydrophobicContact SD-CG1 3.89Å; L534-V563 HydrophobicContact CB-CG1 4.44Å; L534-V563 HydrophobicContact CB-CG2 4.31Å; L534-V563 HydrophobicContact CD2-CG1 4.28Å; L534-V563 HydrophobicContact CD2-CG2 4.39Å; L534-V563 HydrophobicContact CG-CG1 4.33Å; L534-V563 CarbonylContact O-C 3.51Å; L534-V563 WeakPolarHBondContact O-CA 3.25Å; A550-V563 HydrophobicContact CB-CB 4.22Å; A550-V563 HydrophobicContact CB-CG1 3.84Å; V553-V563 HydrophobicContact CB-CG2 4.19Å; V553-V563 HydrophobicContact CG1-CG2 3.88Å; T554-V563 WeakPolarHBondContact OG1-CB 3.48Å; T554-V563 PolarHBondContact OG1-N 2.94Å
564	L	98.5	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.2	173.2	-56.6	179.8	0	0	0	108.4	L6 Q143 L183 L534 I535 V536 E562	L6-L564 HydrophobicContact CD1-CD2 4.32Å; L6-L564 HydrophobicContact CD2-CD1 4.23Å; L6-L564 HydrophobicContact CG-CD2 4.34Å; Q143-L564 HydrophobicContact CB-CD2 4.04Å; Q143-L564 HydrophobicContact CG-CD2 4.32Å; Q143-L564 WeakPolarHBondContact O-CA 3.13Å; L183-L564 HydrophobicContact CD1-CD1 3.39Å; L534-L564 PolarHBondContact O-N 3.33Å; I535-L564 CarbonylContact C-O 3.45Å; I535-L564 WeakPolarHBondContact CA-O 3.44Å; I535-L564 HydrophobicContact CG1-CD1 4.43Å; V536-L564 PolarHBondContact N-O 3.23Å; E562-L564 HydrophobicContact CG-CD2 4.06Å; E562-L564 HydrophobicContact CG-CG 4.43Å
565	I	98.8	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.7	177.9	-172.4	172.3	0	0	0	110.6	Q143 V144 F145 I479 M483 V536 I538 V542 E546 A550	Q143-I565 PolarHBondContact O-N 3.31Å; V144-I565 VanDerWaalsContact CA-O 3.23Å; V144-I565 WeakPolarHBondContact CA-O 3.35Å; V144-I565 HydrophobicContact CG2-CG2 4.02Å; F145-I565 WeakPolarHBondContact CD1-O 3.46Å; F145-I565 VanDerWaalsContact CE1-C 3.44Å; F145-I565 PolarHBondContact N-O 3.14Å; I479-I565 HydrophobicContact CG1-CD1 4.47Å; M483-I565 HydrophobicContact CE-CB 4.17Å; M483-I565 HydrophobicContact CE-CD1 3.76Å; M483-I565 HydrophobicContact CE-CG1 4.33Å; V536-I565 HydrophobicContact CB-CB 4.32Å; V536-I565 HydrophobicContact CB-CG1 4.06Å; V536-I565 HydrophobicContact CG1-CD1 4.31Å; V536-I565 HydrophobicContact CG1-CG1 4.07Å; V536-I565 CarbonylContact O-C 3.58Å; V536-I565 WeakPolarHBondContact O-CA 3.32Å; I538-I565 HydrophobicContact CD1-CD1 4.14Å; V542-I565 HydrophobicContact CG2-CD1 3.64Å; V542-I565 HydrophobicContact CG2-CG1 3.99Å; E546-I565 HydrophobicContact CB-CD1 3.96Å; A550-I565 HydrophobicContact CB-CB 4.13Å; A550-I565 HydrophobicContact CB-CG2 3.6Å
566	G	98.6	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	177	175.9	0	0	0	0	0	113.5	F145 V536 Y537 I538	F145-G566 VanDerWaalsContact CE1-N 3.31Å; F145-G566 WeakPolarHBondContact O-CA 3.45Å; V536-G566 PolarHBondContact O-N 3.16Å; Y537-G566 WeakPolarHBondContact CA-O 3.42Å; I538-G566 PolarHBondContact N-O 2.8Å
567	S	98.7	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-176	-178.1	-170.9	0	0	0	0	110.5	F145 S146 L147 Y537 I538 G541 H569	F145-S567 PolarHBondContact O-N 3.5Å; S146-S567 WeakPolarHBondContact CA-O 3.39Å; L147-S567 PolarHBondContact N-O 3.05Å; Y537-S567 VanDerWaalsContact CE2-CA 3.46Å; I538-S567 WeakPolarHBondContact O-CA 3.28Å; I538-S567 VanDerWaalsContact O-CB 3.25Å; I538-S567 WeakPolarHBondContact O-CB 3.43Å; I538-S567 PolarHBondContact O-OG 3.22Å; G541-S567 VanDerWaalsContact C-OG 3.24Å; G541-S567 WeakPolarHBondContact CA-OG 3.48Å; G541-S567 PolarHBondContact N-OG 3Å; S567-H569 PolarHBondContact O-N 2.96Å
568	S	97.6	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-63.5	-32.2	169.3	59.9	0	0	0	0	112.3	S146 D148 A149 Y537	S146-S568 PolarHBondContact OG-O 2.88Å; D148-S568 PolarHBondContact N-O 3.09Å; D148-S568 VanDerWaalsContact N-O 3.11Å; A149-S568 PolarHBondContact N-O 2.87Å; A149-S568 WeakPolarHBondContact O-CB 3.47Å; Y537-S568 PolarHBondContact OH-N 2.8Å
569	H	98.1	Very high	96.6	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.014	13%	0.133	C	C	.	.	S	Bend	trans	-161.4	167	175.8	61.6	-74.8	0	0	0	111.7	P150 T153 G541 V542 S567 L571 R575 D579	P150-H569 HydrophobicContact CB-CB 4.24Å; T153-H569 PolarHBondContact OG1-CE1 3.43Å; T153-H569 VanDerWaalsContact OG1-CE1 3.29Å; G541-H569 WeakPolarHBondContact CA-O 3.32Å; V542-H569 PolarHBondContact N-O 3.05Å; S567-H569 PolarHBondContact O-N 2.96Å; H569-L571 WeakPolarHBondContact NE2-CD2 3.36Å; H569-R575 PolarHBondContact CD2-NE 3.18Å; H569-D579 IonicContact CE1-OD2 3.96Å; H569-D579 PolarHBondContact CE1-OD2 3.19Å; H569-D579 IonicContact NE2-OD2 3.45Å; H569-D579 PolarHBondContact NE2-OD2 3.06Å
570	I	98.4	Very high	97.4	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.072	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.5	176.9	-49.9	-54.8	0	0	0	110.1	Y140 V144 V542 M544 M547 R575	Y140-I570 HydrophobicContact CD1-CD1 4.19Å; Y140-I570 HydrophobicContact CD1-CG1 3.99Å; Y140-I570 HydrophobicContact CE1-CG1 4.02Å; Y140-I570 HydrophobicContact CG-CG1 4.28Å; V144-I570 HydrophobicContact CG1-CD1 3.98Å; V542-I570 HydrophobicContact CG1-CD1 3.52Å; M544-I570 HydrophobicContact CE-CG2 4.05Å; M544-I570 HydrophobicContact CG-CG2 4.29Å; M547-I570 HydrophobicContact SD-CD1 4.06Å; M547-I570 HydrophobicContact SD-CG2 3.68Å; I570-R575 VanDerWaalsContact O-CD 3.32Å; I570-R575 WeakPolarHBondContact O-CD 3.46Å; I570-R575 PolarHBondContact O-NH1 3.38Å
571	L	98.4	Very high	97.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.5	-178	-66.9	175.4	0	0	0	112.4	P242 G541 V542 H569 R575 F576	P242-L571 HydrophobicContact CB-CD1 4.17Å; P242-L571 HydrophobicContact CG-CD1 4.35Å; G541-L571 VanDerWaalsContact C-CD1 3.44Å; V542-L571 WeakPolarHBondContact O-CB 3.36Å; V542-L571 PolarHBondContact O-N 3.27Å; H569-L571 WeakPolarHBondContact NE2-CD2 3.36Å; L571-R575 HydrophobicContact CD2-CG 4.5Å; L571-F576 HydrophobicContact CD1-CB 4.42Å; L571-F576 HydrophobicContact CD1-CD2 4.04Å; L571-F576 HydrophobicContact CD2-CB 4.11Å; L571-F576 HydrophobicContact CD2-CD2 4.44Å
572	T	98.5	Very high	97.9	Very high	32 Å²	32	20.5 Å²	20.5	20%	0.196	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-103.4	160.9	149.6	63.6	0	0	0	0	108.1	Y254 T574 R575 F576	Y254-T572 WeakPolarHBondContact O-CG2 3.04Å; T572-T574 VanDerWaalsContact C-N 3.29Å; T572-T574 PolarHBondContact O-N 3.36Å; T572-R575 PolarHBondContact O-N 3.05Å; T572-R575 VanDerWaalsContact O-N 3.13Å; T572-R575 WeakPolarHBondContact OG1-CB 3.29Å; T572-R575 PolarHBondContact OG1-N 3.45Å; T572-F576 PolarHBondContact O-N 2.82Å
573	P	98.4	Very high	97.9	Very high	13 Å²	13	19.9 Å²	19.9	8%	0.084	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-44.7	176.6	-28.4	37.8	0	0	0	112.6	P242 D255 R575 F576 L577	P242-P573 VanDerWaalsContact O-CA 3.28Å; P242-P573 WeakPolarHBondContact O-CA 3.19Å; P242-P573 WeakPolarHBondContact O-CB 3.4Å; P242-P573 WeakPolarHBondContact O-CG 3.14Å; D255-P573 HydrophobicContact CB-CG 4.39Å; D255-P573 WeakPolarHBondContact OD1-CG 3.32Å; P573-R575 PolarHBondContact O-N 3.29Å; P573-F576 PolarHBondContact O-N 3.43Å; P573-L577 WeakPolarHBondContact O-CG 3.32Å; P573-L577 PolarHBondContact O-N 2.92Å
574	T	98.2	Very high	97.8	Very high	60 Å²	60	22.9 Å²	22.9	37%	0.368	12%	0.117	S	C	.	.	H	α-helix	trans	-56.7	-48.5	174.8	-59.9	0	0	0	0	112.2	Y401 T572 F576 L577 D578	Y401-T574 HydrophobicContact CD2-CG2 4.01Å; Y401-T574 HydrophobicContact CE2-CG2 3.9Å; T572-T574 VanDerWaalsContact C-N 3.29Å; T572-T574 PolarHBondContact O-N 3.36Å; T574-F576 VanDerWaalsContact C-N 3.33Å; T574-F576 PolarHBondContact O-N 3.16Å; T574-L577 PolarHBondContact O-N 3.09Å; T574-D578 PolarHBondContact O-N 3.5Å
575	R	97.8	Very high	97.6	Very high	90 Å²	90	26.6 Å²	26.6	34%	0.34	13%	0.134	S	C	.	.	H	α-helix	trans	-62.9	-39.1	178.9	-172.2	-179.2	-172.7	161.4	13.2	112.3	P150 H569 I570 L571 T572 P573 L577 D578 D579	P150-R575 VanDerWaalsContact CB-NH2 3.33Å; H569-R575 PolarHBondContact CD2-NE 3.18Å; I570-R575 VanDerWaalsContact O-CD 3.32Å; I570-R575 WeakPolarHBondContact O-CD 3.46Å; I570-R575 PolarHBondContact O-NH1 3.38Å; L571-R575 HydrophobicContact CD2-CG 4.5Å; T572-R575 PolarHBondContact O-N 3.05Å; T572-R575 VanDerWaalsContact O-N 3.13Å; T572-R575 WeakPolarHBondContact OG1-CB 3.29Å; T572-R575 PolarHBondContact OG1-N 3.45Å; P573-R575 PolarHBondContact O-N 3.29Å; R575-L577 VanDerWaalsContact C-N 3.34Å; R575-L577 PolarHBondContact O-N 2.8Å; R575-D578 PolarHBondContact O-N 2.79Å; R575-D579 PolarHBondContact O-N 3.33Å
576	F	98.4	Very high	97.3	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-41.4	176.4	179	-118.7	0	0	0	111.9	R235 P242 L243 L441 L444 L571 T572 P573 T574 D579 L580	R235-F576 HydrophobicContact CG-CE2 3.75Å; R235-F576 HydrophobicContact CG-CZ 4.37Å; P242-F576 HydrophobicContact CB-CB 4.32Å; P242-F576 HydrophobicContact CB-CD1 3.87Å; P242-F576 HydrophobicContact CB-CD2 4.35Å; P242-F576 HydrophobicContact CB-CE1 4.26Å; P242-F576 HydrophobicContact CB-CG 3.91Å; L243-F576 HydrophobicContact CD2-CD1 3.75Å; L243-F576 HydrophobicContact CD2-CE1 3.86Å; L243-F576 HydrophobicContact CG-CD1 4.24Å; L243-F576 HydrophobicContact CG-CE1 4.08Å; L441-F576 HydrophobicContact CD1-CZ 4.34Å; L444-F576 HydrophobicContact CD1-CE2 3.78Å; L444-F576 HydrophobicContact CD1-CZ 4.01Å; L571-F576 HydrophobicContact CD1-CB 4.42Å; L571-F576 HydrophobicContact CD1-CD2 4.04Å; L571-F576 HydrophobicContact CD2-CB 4.11Å; L571-F576 HydrophobicContact CD2-CD2 4.44Å; T572-F576 PolarHBondContact O-N 2.82Å; P573-F576 PolarHBondContact O-N 3.43Å; T574-F576 VanDerWaalsContact C-N 3.33Å; T574-F576 PolarHBondContact O-N 3.16Å; F576-D579 PolarHBondContact O-N 3.36Å; F576-L580 HydrophobicContact CD1-CD1 4.42Å; F576-L580 HydrophobicContact CE1-CD1 3.94Å; F576-L580 HydrophobicContact CE2-CG 4.46Å; F576-L580 HydrophobicContact CZ-CD1 4Å; F576-L580 HydrophobicContact CZ-CG 4.39Å; F576-L580 WeakPolarHBondContact O-CG 3.26Å; F576-L580 PolarHBondContact O-N 3.31Å; F576-L580 VanDerWaalsContact O-N 3.13Å
577	L	98.4	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-38	174.6	-61.1	178.3	0	0	0	112.1	L243 Y401 I404 R405 L408 L437 P573 T574 R575 L580 K581	L243-L577 HydrophobicContact CD2-CD2 3.78Å; Y401-L577 HydrophobicContact CD2-CB 4.14Å; Y401-L577 HydrophobicContact CD2-CD1 3.61Å; Y401-L577 HydrophobicContact CE2-CB 3.96Å; Y401-L577 HydrophobicContact CE2-CD1 4.28Å; Y401-L577 HydrophobicContact CG-CD1 3.77Å; I404-L577 HydrophobicContact CG2-CD1 4.43Å; I404-L577 HydrophobicContact CG2-CD2 3.99Å; R405-L577 HydrophobicContact CG-CD1 4.09Å; L408-L577 HydrophobicContact CD1-CD2 3.78Å; L437-L577 HydrophobicContact CD1-CB 4.03Å; L437-L577 HydrophobicContact CD1-CD2 3.93Å; L437-L577 WeakPolarHBondContact CD1-O 3.35Å; P573-L577 WeakPolarHBondContact O-CG 3.32Å; P573-L577 PolarHBondContact O-N 2.92Å; T574-L577 PolarHBondContact O-N 3.09Å; R575-L577 VanDerWaalsContact C-N 3.34Å; R575-L577 PolarHBondContact O-N 2.8Å; L577-L580 PolarHBondContact O-N 3.42Å; L577-K581 WeakPolarHBondContact O-CB 3.47Å; L577-K581 PolarHBondContact O-N 2.65Å
578	D	97.6	Very high	96.5	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-41.3	175.6	-71.7	-30.5	0	0	0	112	Y401 T574 R575 L580 K581 T582	Y401-D578 PolarHBondContact OH-OD1 2.96Å; T574-D578 PolarHBondContact O-N 3.5Å; R575-D578 PolarHBondContact O-N 2.79Å; D578-L580 PolarHBondContact O-N 3.26Å; D578-K581 WeakPolarHBondContact O-CB 3.28Å; D578-K581 PolarHBondContact O-N 2.96Å; D578-T582 WeakPolarHBondContact O-CG2 3.39Å; D578-T582 PolarHBondContact O-N 3.36Å
579	D	97.4	Very high	96	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-50.7	172.4	-91.3	25.8	0	0	0	110.6	T153 H569 R575 F576 K581 T582	T153-D579 WeakPolarHBondContact CB-OD2 3.39Å; T153-D579 HydrophobicContact CG2-CB 4.37Å; T153-D579 PolarHBondContact OG1-OD2 3.31Å; H569-D579 IonicContact CE1-OD2 3.96Å; H569-D579 PolarHBondContact CE1-OD2 3.19Å; H569-D579 IonicContact NE2-OD2 3.45Å; H569-D579 PolarHBondContact NE2-OD2 3.06Å; R575-D579 PolarHBondContact O-N 3.33Å; F576-D579 PolarHBondContact O-N 3.36Å; D579-K581 VanDerWaalsContact C-N 3.33Å; D579-K581 PolarHBondContact O-N 3.37Å; D579-T582 PolarHBondContact O-N 3.48Å; D579-T582 PolarHBondContact O-OG1 3.13Å
580	L	97.7	Very high	95.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-40.3	177.3	-71.5	178.6	0	0	0	112.6	L437 N440 L441 L444 F576 L577 D578 T582 L583	L437-L580 HydrophobicContact CD1-CB 3.87Å; L437-L580 HydrophobicContact CD1-CD1 4.31Å; N440-L580 WeakPolarHBondContact CB-O 3.24Å; N440-L580 PolarHBondContact ND2-O 2.97Å; L441-L580 HydrophobicContact CB-CD1 4.43Å; L441-L580 HydrophobicContact CD1-CD1 4.4Å; L441-L580 HydrophobicContact CD1-CD2 4.47Å; L444-L580 HydrophobicContact CD1-CD2 3.59Å; L444-L580 HydrophobicContact CG-CD2 3.91Å; F576-L580 HydrophobicContact CD1-CD1 4.42Å; F576-L580 HydrophobicContact CE1-CD1 3.94Å; F576-L580 HydrophobicContact CE2-CG 4.46Å; F576-L580 HydrophobicContact CZ-CD1 4Å; F576-L580 HydrophobicContact CZ-CG 4.39Å; F576-L580 WeakPolarHBondContact O-CG 3.26Å; F576-L580 PolarHBondContact O-N 3.31Å; F576-L580 VanDerWaalsContact O-N 3.13Å; L577-L580 PolarHBondContact O-N 3.42Å; D578-L580 PolarHBondContact O-N 3.26Å; L580-T582 PolarHBondContact O-N 3.5Å; L580-T582 VanDerWaalsContact O-N 3.15Å; L580-L583 HydrophobicContact CD2-CD1 3.95Å; L580-L583 PolarHBondContact O-N 2.93Å
581	K	97.1	Very high	95	Very high	75 Å²	75	54.5 Å²	54.5	33%	0.326	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-24.5	-179.4	-179.1	178	171.7	-174.5	0	113.1	L437 L577 D578 D579 Q585	L437-K581 HydrophobicContact CB-CB 4.28Å; L577-K581 WeakPolarHBondContact O-CB 3.47Å; L577-K581 PolarHBondContact O-N 2.65Å; D578-K581 WeakPolarHBondContact O-CB 3.28Å; D578-K581 PolarHBondContact O-N 2.96Å; D579-K581 VanDerWaalsContact C-N 3.33Å; D579-K581 PolarHBondContact O-N 3.37Å; K581-Q585 PolarHBondContact O-NE2 2.94Å
582	T	95.7	Very high	94.6	Very high	33 Å²	33	59.2 Å²	59.2	20%	0.202	30%	0.303	C	S	.	.	H	α-helix	trans	-88.9	-14.9	-177.9	65.3	0	0	0	0	114.7	Y154 D578 D579 L580 D584 Q585 L587	Y154-T582 WeakPolarHBondContact CE2-O 3.49Å; D578-T582 WeakPolarHBondContact O-CG2 3.39Å; D578-T582 PolarHBondContact O-N 3.36Å; D579-T582 PolarHBondContact O-N 3.48Å; D579-T582 PolarHBondContact O-OG1 3.13Å; L580-T582 PolarHBondContact O-N 3.5Å; L580-T582 VanDerWaalsContact O-N 3.15Å; T582-D584 VanDerWaalsContact C-N 3.28Å; T582-D584 PolarHBondContact O-N 3.2Å; T582-Q585 PolarHBondContact O-N 3.13Å; T582-L587 HydrophobicContact CG2-CD1 3.81Å
583	L	96.1	Very high	93.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.1	-164.8	-62.1	-176.9	0	0	0	115.7	T153 C158 P159 N440 Q443 L444 L580	T153-L583 HydrophobicContact CG2-CD2 4.41Å; C158-L583 PolarHBondContact SG-O 3.36Å; P159-L583 VanDerWaalsContact CD-O 3.26Å; P159-L583 WeakPolarHBondContact CD-O 3.35Å; N440-L583 HydrophobicContact CB-CB 4.18Å; N440-L583 HydrophobicContact CB-CD1 4.48Å; Q443-L583 HydrophobicContact CB-CD1 3.98Å; Q443-L583 HydrophobicContact CG-CB 4.39Å; L444-L583 HydrophobicContact CD2-CD1 4.16Å; L444-L583 HydrophobicContact CG-CD1 4.47Å; L580-L583 HydrophobicContact CD2-CD1 3.95Å; L580-L583 PolarHBondContact O-N 2.93Å
584	D	94.9	Very high	93.7	Very high	64 Å²	64	62 Å²	62	34%	0.342	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	10.8	175.6	67.2	-27.9	0	0	0	112.9	F160 S436 N440 T582	F160-D584 WeakPolarHBondContact CE2-O 3.2Å; S436-D584 WeakPolarHBondContact CB-OD2 3.29Å; S436-D584 PolarHBondContact OG-OD1 2.88Å; S436-D584 PolarHBondContact OG-OD2 3.39Å; N440-D584 VanDerWaalsContact ND2-CG 3.29Å; N440-D584 PolarHBondContact ND2-OD1 3.24Å; T582-D584 VanDerWaalsContact C-N 3.28Å; T582-D584 PolarHBondContact O-N 3.2Å
585	Q	94.1	Very high	93.5	Very high	79 Å²	79	62.1 Å²	62.1	37%	0.369	32%	0.315	S	S	.	.	S	Bend	trans	-107.1	139.4	179.6	-58	-178	18.7	0	0	110.4	Y154 K581 T582 L587	Y154-Q585 WeakPolarHBondContact CE2-O 3.36Å; Y154-Q585 PolarHBondContact OH-O 3.47Å; K581-Q585 PolarHBondContact O-NE2 2.94Å; T582-Q585 PolarHBondContact O-N 3.13Å; Q585-L587 HydrophobicContact CB-CD2 4.24Å; Q585-L587 HydrophobicContact CB-CG 4.2Å; Q585-L587 PolarHBondContact O-N 3.41Å
586	K	93.6	Very high	93.2	Very high	136 Å²	136	60.5 Å²	60.5	59%	0.591	31%	0.313	S	S	*	.			trans	-83.9	100.5	171.7	-170.1	-169.7	-179.9	-142	0	109.5	F160 E588	F160-K586 HydrophobicContact CD1-CB 4.36Å; F160-K586 HydrophobicContact CD1-CG 4.43Å; F160-K586 HydrophobicContact CD2-CB 4.09Å; F160-K586 HydrophobicContact CE1-CB 4.47Å; F160-K586 HydrophobicContact CE2-CB 4.22Å; F160-K586 HydrophobicContact CG-CB 4.18Å; F160-K586 HydrophobicContact CG-CG 4.32Å; F160-K586 HydrophobicContact CZ-CB 4.41Å; K586-E588 IonicContact NZ-OE1 2.93Å; K586-E588 PolarHBondContact NZ-OE1 3.19Å
587	L	91.9	Very high	92.9	Very high	52 Å²	52	63.9 Å²	63.9	27%	0.272	33%	0.331	S	S	.	.			trans	-105.5	112.3	177.7	-56.7	177.8	0	0	0	110.7	Y154 R161 T582 Q585 M590	Y154-L587 HydrophobicContact CE2-CB 4.29Å; Y154-L587 HydrophobicContact CE2-CD1 4.14Å; Y154-L587 HydrophobicContact CE2-CG 4.25Å; Y154-L587 PolarHBondContact OH-N 3.42Å; R161-L587 PolarHBondContact NH2-O 2.8Å; T582-L587 HydrophobicContact CG2-CD1 3.81Å; Q585-L587 HydrophobicContact CB-CD2 4.24Å; Q585-L587 HydrophobicContact CB-CG 4.2Å; Q585-L587 PolarHBondContact O-N 3.41Å; L587-M590 HydrophobicContact CB-CB 4.37Å; L587-M590 HydrophobicContact CB-CG 3.59Å; L587-M590 HydrophobicContact CD1-CG 3.93Å; L587-M590 HydrophobicContact CG-CG 4.43Å
588	E	87.6	Confident	92.6	Very high	146 Å²	146	67.9 Å²	67.9	68%	0.682	35%	0.352	S	S	*	.	S	Bend	trans	-79.6	-27	178.5	-63.7	-174.8	173.8	0	0	111.9	K586 M590	K586-E588 IonicContact NZ-OE1 2.93Å; K586-E588 PolarHBondContact NZ-OE1 3.19Å; E588-M590 VanDerWaalsContact C-N 3.26Å; E588-M590 PolarHBondContact O-N 3.3Å
589	D	86.8	Confident	92.2	Very high	169 Å²	169	68.2 Å²	68.2	90%	0.904	35%	0.353	S	S	*	.	S	Bend	trans	-74.8	-12.3	179.4	-60.7	-33.4	0	0	0	113.7	A591	D589-A591 PolarHBondContact O-N 3.31Å
590	M	87.8	Confident	91.9	Very high	50 Å²	50	71.2 Å²	71.2	25%	0.246	37%	0.368	C	S	.	.	S	Bend	trans	-68.7	126.4	178.5	-73.7	-64.3	-79.9	0	0	110.6	H151 Y154 R161 L587 E588	H151-M590 HydrophobicContact CB-CE 3.92Å; Y154-M590 HydrophobicContact CD1-CB 3.88Å; Y154-M590 HydrophobicContact CD1-CE 4.15Å; Y154-M590 HydrophobicContact CD1-CG 3.98Å; Y154-M590 HydrophobicContact CD2-CE 4.46Å; Y154-M590 HydrophobicContact CE1-CB 3.9Å; Y154-M590 HydrophobicContact CE1-CG 4.04Å; Y154-M590 HydrophobicContact CG-CE 3.81Å; Y154-M590 HydrophobicContact CG-CG 4.25Å; R161-M590 PolarHBondContact NH1-O 2.97Å; R161-M590 PolarHBondContact NH2-O 3.23Å; L587-M590 HydrophobicContact CB-CB 4.37Å; L587-M590 HydrophobicContact CB-CG 3.59Å; L587-M590 HydrophobicContact CD1-CG 3.93Å; L587-M590 HydrophobicContact CG-CG 4.43Å; E588-M590 VanDerWaalsContact C-N 3.26Å; E588-M590 PolarHBondContact O-N 3.3Å
591	A	88.9	Confident	91.4	Very high	50 Å²	50	76.6 Å²	76.6	41%	0.413	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56.1	143.1	-179.1	0	0	0	0	0	112.4	H151 N155 R161 D589	H151-A591 HydrophobicContact CB-CB 4.33Å; N155-A591 PolarHBondContact ND2-O 3.28Å; N155-A591 VanDerWaalsContact ND2-O 3.1Å; R161-A591 PolarHBondContact NH1-O 2.98Å; R161-A591 VanDerWaalsContact NH1-O 3.13Å; D589-A591 PolarHBondContact O-N 3.31Å
592	L	89.3	Confident	91	Very high	101 Å²	101	76.8 Å²	76.8	53%	0.529	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-76.5	160.2	171.8	-69.6	170.6	0	0	0	110.4	E164	E164-L592 HydrophobicContact CG-CD2 4.21Å
593	P	84.8	Confident	90.5	Very high	41 Å²	41	80.7 Å²	80.7	27%	0.266	42%	0.42	S	S	.	.			trans	-63	0	178.7	-20.2	31.8	0	0	0	115.8	N155 E164 R167 Q168	N155-P593 HydrophobicContact CB-CG 4.4Å; E164-P593 HydrophobicContact CB-CG 3.98Å; R167-P593 HydrophobicContact CB-CB 4.45Å; R167-P593 HydrophobicContact CG-CB 4.08Å; R167-P593 PolarHBondContact NE-O 3.5Å; R167-P593 PolarHBondContact NH2-O 2.66Å; Q168-P593 HydrophobicContact CB-CB 3.97Å; Q168-P593 HydrophobicContact CB-CG 3.83Å

Retrieved 593 of 593 residues in 135.5 ms (Link to these results)

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