A0A061IJM7_CRIGR Loading...

RIKEN cDNA E130308A19 gene

AlphaFold DB , UniProt , Accession A0A061IJM7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Kiaa1958, Length 737 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	27.8	Very low	52.5	Low	226 Å²	226	110.8 Å²	110.8	100%	1.113	60%	0.596	S	S	*	*				0	116.1	0	-166.8	168.2	-71.9	0	0	104.4
2	E	29.3	Very low	54.6	Low	189 Å²	189	108.4 Å²	108.4	88%	0.883	58%	0.582	S	S	*	*			trans	-109.4	111.2	-168.6	-64.7	172.9	139	0	0	107.8	C4	E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.05Å
3	D	33.8	Very low	56.3	Low	133 Å²	133	105.4 Å²	105.4	71%	0.711	57%	0.574	S	S	*	*			trans	-75.5	83.9	-175.4	-65.9	-43.2	0	0	0	110.5	L5	D3-L5 PolarHBondContact O-N 2.94Å
4	C	39.7	Very low	58.1	Low	88 Å²	88	103.9 Å²	103.9	60%	0.595	56%	0.56	S	S	*	*			trans	-68	100.3	-179.8	-168.7	0	0	0	0	110.7	E2 H6	E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.05Å; C4-H6 VanDerWaalsContact C-N 3.35Å; C4-H6 PolarHBondContact O-N 3.39Å
5	L	49.5	Very low	59.8	Low	84 Å²	84	98.2 Å²	98.2	44%	0.44	53%	0.529	S	S	.	.			trans	-66.7	86.9	175.5	-68.8	172.4	0	0	0	111.3	D3 T7 L44	D3-L5 PolarHBondContact O-N 2.94Å; L5-T7 PolarHBondContact O-N 3.21Å; L5-T7 VanDerWaalsContact O-N 3.11Å; L5-L44 HydrophobicContact CD1-CD2 3.57Å; L5-L44 HydrophobicContact CD2-CD2 3.72Å; L5-L44 HydrophobicContact CG-CD2 4.32Å
6	H	52	Low	61.4	Low	119 Å²	119	96.3 Å²	96.3	55%	0.551	52%	0.521	S	S	*	.			trans	-69.6	103.5	176.4	-79.6	-60.2	0	0	0	112.3	C4	C4-H6 VanDerWaalsContact C-N 3.35Å; C4-H6 PolarHBondContact O-N 3.39Å
7	T	62.9	Low	62.8	Low	73 Å²	73	95 Å²	95	45%	0.448	52%	0.521	S	S	.	.			trans	-83.9	126.9	167	53.6	0	0	0	0	111.3	L5 W58 L60	L5-T7 PolarHBondContact O-N 3.21Å; L5-T7 VanDerWaalsContact O-N 3.11Å; T7-W58 HydrophobicContact CG2-CH2 3.89Å; T7-W58 HydrophobicContact CG2-CZ2 3.45Å; T7-W58 VanDerWaalsContact CG2-CZ2 3.45Å; T7-L60 HydrophobicContact CG2-CD2 3.71Å
8	S	68.8	Low	64.4	Low	49 Å²	49	92.4 Å²	92.4	34%	0.343	50%	0.503	S	S	.	.			trans	-73.5	148.3	172.1	72.1	0	0	0	0	112	E10 N11 L12	S8-E10 PolarHBondContact O-N 3.04Å; S8-N11 PolarHBondContact O-N 3.35Å; S8-N11 VanDerWaalsContact O-N 3.13Å; S8-N11 WeakPolarHBondContact OG-CB 3.18Å; S8-N11 VanDerWaalsContact OG-CG 3.24Å; S8-N11 PolarHBondContact OG-N 3.24Å; S8-N11 PolarHBondContact OG-ND2 2.91Å; S8-L12 PolarHBondContact O-N 2.84Å; S8-L12 VanDerWaalsContact O-N 3.11Å
9	S	69.1	Low	65.6	Low	106 Å²	106	89.5 Å²	89.5	74%	0.741	49%	0.492	S	S	*	.	H	α-helix	trans	-57.5	-34.3	174.2	-174.4	0	0	0	0	112.2	L12 S13	S9-L12 PolarHBondContact O-N 3.38Å; S9-S13 WeakPolarHBondContact O-CB 3.12Å; S9-S13 PolarHBondContact O-N 3.4Å
10	E	70.5	Confident	66.5	Low	124 Å²	124	92 Å²	92	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-41.8	176.4	-161.5	-160	142.2	0	0	112.4	S8 S13 K14	S8-E10 PolarHBondContact O-N 3.04Å; E10-S13 WeakPolarHBondContact O-CB 3.4Å; E10-S13 PolarHBondContact O-N 2.93Å; E10-K14 WeakPolarHBondContact O-CG 3.25Å; E10-K14 PolarHBondContact O-N 2.8Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3Å; E10-K14 PolarHBondContact OE1-NZ 3.42Å
11	N	74.3	Confident	67.4	Low	28 Å²	28	90.8 Å²	90.8	15%	0.15	50%	0.498	C	S	.	.	H	α-helix	trans	-73.3	-33.7	179.3	-68.9	-8.5	0	0	0	111.9	S8 K14 L15	S8-N11 PolarHBondContact O-N 3.35Å; S8-N11 VanDerWaalsContact O-N 3.13Å; S8-N11 WeakPolarHBondContact OG-CB 3.18Å; S8-N11 VanDerWaalsContact OG-CG 3.24Å; S8-N11 PolarHBondContact OG-N 3.24Å; S8-N11 PolarHBondContact OG-ND2 2.91Å; N11-K14 PolarHBondContact O-N 3.1Å; N11-K14 PolarHBondContact OD1-NZ 3.25Å; N11-L15 PolarHBondContact O-N 3.11Å; N11-L15 VanDerWaalsContact O-N 3.15Å
12	L	78.1	Confident	70.2	Confident	82 Å²	82	80.2 Å²	80.2	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-41.8	169.6	-175.9	63.8	0	0	0	111.4	S8 S9 K14 L15 V16 W58	S8-L12 PolarHBondContact O-N 2.84Å; S8-L12 VanDerWaalsContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 3.38Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.45Å; L12-W58 HydrophobicContact CD1-CH2 4.1Å
13	S	76.8	Confident	72.9	Confident	69 Å²	69	73.8 Å²	73.8	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-58.3	-43.6	174.9	-172.3	0	0	0	0	111.9	S9 E10 L15 V16 S17	S9-S13 WeakPolarHBondContact O-CB 3.12Å; S9-S13 PolarHBondContact O-N 3.4Å; E10-S13 WeakPolarHBondContact O-CB 3.4Å; E10-S13 PolarHBondContact O-N 2.93Å; S13-L15 PolarHBondContact O-N 3.27Å; S13-V16 PolarHBondContact O-N 3.15Å; S13-S17 PolarHBondContact O-N 3.26Å; S13-S17 PolarHBondContact O-OG 3.17Å
14	K	81.2	Confident	75.4	Confident	85 Å²	85	73 Å²	73	37%	0.37	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-41.8	175.7	-67.1	165.1	-169.1	161.8	0	112.6	E10 N11 L12 W18 Y56	E10-K14 WeakPolarHBondContact O-CG 3.25Å; E10-K14 PolarHBondContact O-N 2.8Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3Å; E10-K14 PolarHBondContact OE1-NZ 3.42Å; N11-K14 PolarHBondContact O-N 3.1Å; N11-K14 PolarHBondContact OD1-NZ 3.25Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.48Å; K14-W18 PolarHBondContact O-N 3.15Å; K14-Y56 WeakPolarHBondContact CB-OH 3.22Å
15	L	83.9	Confident	77.7	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.094	43%	0.432	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.5	178.8	68	0	0	0	111.9	N11 L12 S13 W18 A19 W48 Y56 W58	N11-L15 PolarHBondContact O-N 3.11Å; N11-L15 VanDerWaalsContact O-N 3.15Å; L12-L15 PolarHBondContact O-N 2.91Å; S13-L15 PolarHBondContact O-N 3.27Å; L15-W18 HydrophobicContact CD1-CE3 4.34Å; L15-W18 PolarHBondContact O-N 2.83Å; L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.32Å; L15-W48 HydrophobicContact CD1-CB 4.33Å; L15-W48 HydrophobicContact CD1-CD2 4.13Å; L15-W48 HydrophobicContact CD1-CG 3.87Å; L15-W48 HydrophobicContact CD2-CD2 4.44Å; L15-W48 HydrophobicContact CD2-CZ2 4.18Å; L15-Y56 HydrophobicContact CB-CE1 4.25Å; L15-Y56 HydrophobicContact CD1-CD1 3.66Å; L15-Y56 HydrophobicContact CD1-CE1 4.03Å; L15-W58 HydrophobicContact CD2-CE3 3.67Å; L15-W58 HydrophobicContact CD2-CH2 4.28Å; L15-W58 HydrophobicContact CD2-CZ3 3.54Å
16	V	84.8	Confident	79.4	Confident	67 Å²	67	71.5 Å²	71.5	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-43.8	178.8	172.7	0	0	0	0	111	L12 S13 W18 A19 H20	L12-V16 WeakPolarHBondContact O-CG2 3.5Å; L12-V16 PolarHBondContact O-N 3.45Å; S13-V16 PolarHBondContact O-N 3.15Å; V16-W18 VanDerWaalsContact C-N 3.34Å; V16-W18 PolarHBondContact O-N 3.49Å; V16-A19 PolarHBondContact O-N 2.8Å; V16-H20 PolarHBondContact O-CD2 2.96Å; V16-H20 PolarHBondContact O-N 2.96Å
17	S	85.8	Confident	81	Confident	75 Å²	75	71.7 Å²	71.7	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-40.3	173.8	-64	0	0	0	0	112.5	S13 S21	S13-S17 PolarHBondContact O-N 3.26Å; S13-S17 PolarHBondContact O-OG 3.17Å; S17-S21 WeakPolarHBondContact O-CB 3.15Å; S17-S21 PolarHBondContact O-N 2.95Å
18	W	91.3	Very high	81.9	Confident	49 Å²	49	71.5 Å²	71.5	19%	0.186	43%	0.428	C	S	.	.	H	α-helix	trans	-64.4	-44.5	173.2	177.3	84.9	0	0	0	111.9	K14 L15 V16 H20 S21 H22 P30 W48 H54 Y56	K14-W18 PolarHBondContact O-N 3.15Å; L15-W18 HydrophobicContact CD1-CE3 4.34Å; L15-W18 PolarHBondContact O-N 2.83Å; V16-W18 VanDerWaalsContact C-N 3.34Å; V16-W18 PolarHBondContact O-N 3.49Å; W18-H20 PolarHBondContact O-N 2.94Å; W18-S21 PolarHBondContact O-N 3.05Å; W18-H22 AromaticContact CH2-CD2 3.92Å; W18-H22 AromaticContact CZ2-CD2 3.7Å; W18-H22 VanDerWaalsContact O-CB 3.31Å; W18-H22 WeakPolarHBondContact O-CB 3.33Å; W18-H22 PolarHBondContact O-N 3.21Å; W18-P30 HydrophobicContact CH2-CB 3.54Å; W18-P30 HydrophobicContact CH2-CG 4.03Å; W18-P30 HydrophobicContact CZ3-CB 3.63Å; W18-P30 HydrophobicContact CZ3-CG 3.73Å; W18-W48 HydrophobicContact CZ3-CB 4.22Å; W18-H54 HydrophobicContact CZ2-CB 4.47Å; W18-Y56 HydrophobicContact CB-CD2 4.12Å; W18-Y56 HydrophobicContact CB-CE2 4.48Å; W18-Y56 HydrophobicContact CB-CG 4.32Å; W18-Y56 AromaticContact CD1-CD2 3.9Å; W18-Y56 HydrophobicContact CD2-CD2 4.43Å; W18-Y56 HydrophobicContact CD2-CG 4.04Å; W18-Y56 HydrophobicContact CE3-CG 4.44Å; W18-Y56 AromaticContact CG-CD2 3.87Å; W18-Y56 HydrophobicContact CG-CD2 3.87Å; W18-Y56 AromaticContact CG-CG 3.94Å; W18-Y56 HydrophobicContact CG-CG 3.94Å
19	A	87.1	Confident	82.5	Confident	37 Å²	37	76.5 Å²	76.5	31%	0.306	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-39.3	179.4	0	0	0	0	0	112.4	L15 V16 G23	L15-A19 WeakPolarHBondContact O-CB 3.47Å; L15-A19 PolarHBondContact O-N 3.32Å; V16-A19 PolarHBondContact O-N 2.8Å; A19-G23 PolarHBondContact O-N 2.92Å
20	H	83.9	Confident	83.1	Confident	138 Å²	138	72.7 Å²	72.7	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-65.2	-45	173.4	-77.2	-157.7	0	0	0	111.6	V16 W18 G23 T24	V16-H20 PolarHBondContact O-CD2 2.96Å; V16-H20 PolarHBondContact O-N 2.96Å; W18-H20 PolarHBondContact O-N 2.94Å; H20-G23 PolarHBondContact O-N 3.06Å; H20-T24 PolarHBondContact O-N 3.09Å
21	S	84.8	Confident	83.4	Confident	67 Å²	67	70.7 Å²	70.7	47%	0.469	42%	0.415	S	S	.	.	H	α-helix	trans	-61.5	-45.7	175.5	-172.9	0	0	0	0	111.7	S17 W18 G23 T24	S17-S21 WeakPolarHBondContact O-CB 3.15Å; S17-S21 PolarHBondContact O-N 2.95Å; W18-S21 PolarHBondContact O-N 3.05Å; S21-G23 VanDerWaalsContact C-N 3.27Å; S21-G23 PolarHBondContact O-N 3.31Å; S21-T24 PolarHBondContact O-N 2.77Å; S21-T24 VanDerWaalsContact O-N 3.08Å; S21-T24 PolarHBondContact O-OG1 2.75Å
22	H	87.3	Confident	83.8	Confident	5 Å²	5	73.1 Å²	73.1	2%	0.023	43%	0.428	C	S	.	.	H	α-helix	trans	-55.8	-42.6	174.8	-175.1	-72.8	0	0	0	111.6	W18 T24 I25 C26 L28 C50 H54	W18-H22 AromaticContact CH2-CD2 3.92Å; W18-H22 AromaticContact CZ2-CD2 3.7Å; W18-H22 VanDerWaalsContact O-CB 3.31Å; W18-H22 WeakPolarHBondContact O-CB 3.33Å; W18-H22 PolarHBondContact O-N 3.21Å; H22-T24 PolarHBondContact O-N 3.31Å; H22-I25 WeakPolarHBondContact O-CG1 3.43Å; H22-I25 PolarHBondContact O-N 2.91Å; H22-I25 VanDerWaalsContact O-N 3.17Å; H22-C26 WeakPolarHBondContact CE1-CB 3.15Å; H22-C26 VanDerWaalsContact CE1-SG 3.53Å; H22-C26 PolarHBondContact O-N 2.85Å; H22-L28 PolarHBondContact CE1-O 3.11Å; H22-C50 PolarHBondContact NE2-SG 2.97Å; H22-H54 AromaticContact CD2-CG 3.99Å; H22-H54 AromaticContact CD2-ND1 3.63Å; H22-H54 WeakPolarHBondContact NE2-CB 3.34Å; H22-H54 AromaticContact NE2-CG 3.7Å; H22-H54 AromaticContact NE2-ND1 3.12Å; H22-H54 PolarHBondContact NE2-ND1 3.01Å; H22-H54 VanDerWaalsContact NE2-ND1 3.12Å
23	G	84.6	Confident	83.8	Confident	54 Å²	54	73.2 Å²	73.2	56%	0.557	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-18.6	178.4	0	0	0	0	0	115.3	A19 H20 S21	A19-G23 PolarHBondContact O-N 2.92Å; H20-G23 PolarHBondContact O-N 3.06Å; S21-G23 VanDerWaalsContact C-N 3.27Å; S21-G23 PolarHBondContact O-N 3.31Å
24	T	87.8	Confident	83.5	Confident	116 Å²	116	75.3 Å²	75.3	71%	0.712	43%	0.426	S	S	*	.	H	α-helix	trans	-86.3	-21.8	174.6	69.4	0	0	0	0	113.4	H20 S21 H22	H20-T24 PolarHBondContact O-N 3.09Å; S21-T24 PolarHBondContact O-N 2.77Å; S21-T24 VanDerWaalsContact O-N 3.08Å; S21-T24 PolarHBondContact O-OG1 2.75Å; H22-T24 PolarHBondContact O-N 3.31Å
25	I	86.4	Confident	82.8	Confident	123 Å²	123	76.2 Å²	76.2	63%	0.631	43%	0.434	S	S	*	.	H	α-helix	trans	-113	-13.1	-176.3	62.6	174	0	0	0	114.1	H22	H22-I25 WeakPolarHBondContact O-CG1 3.43Å; H22-I25 PolarHBondContact O-N 2.91Å; H22-I25 VanDerWaalsContact O-N 3.17Å
26	C	86.3	Confident	81.8	Confident	18 Å²	18	79.4 Å²	79.4	12%	0.122	45%	0.451	C	S	.	.			trans	-151.6	122.9	-175.1	-172.1	0	0	0	0	112.1	H22 L28	H22-C26 WeakPolarHBondContact CE1-CB 3.15Å; H22-C26 VanDerWaalsContact CE1-SG 3.53Å; H22-C26 PolarHBondContact O-N 2.85Å; C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 PolarHBondContact O-N 3.1Å
27	S	84.9	Confident	80.6	Confident	122 Å²	122	80.6 Å²	80.6	85%	0.853	46%	0.463	S	S	*	.			trans	-77.6	-3.9	-178.4	53.1	0	0	0	0	114.9
28	L	82.3	Confident	78.8	Confident	70 Å²	70	84 Å²	84	37%	0.366	47%	0.471	S	S	.	.	S	Bend	trans	-87.8	124.2	-179.4	-61.9	167.1	0	0	0	109.8	H22 C26 P30 C50 A52	H22-L28 PolarHBondContact CE1-O 3.11Å; C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 PolarHBondContact O-N 3.1Å; L28-P30 WeakPolarHBondContact O-CD 3.21Å; L28-C50 HydrophobicContact CB-CB 4.04Å; L28-A52 HydrophobicContact CD1-CB 3.66Å
29	I	81.8	Confident	76.7	Confident	154 Å²	154	84.7 Å²	84.7	79%	0.79	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-66.5	122.7	-179.2	-57.5	175.4	0	0	0	109.3
30	P	80.3	Confident	74.6	Confident	25 Å²	25	88.3 Å²	88.3	16%	0.162	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-74.5	142.1	174.2	31	-33.7	0	0	0	110.8	W18 L28 G49 C50	W18-P30 HydrophobicContact CH2-CB 3.54Å; W18-P30 HydrophobicContact CH2-CG 4.03Å; W18-P30 HydrophobicContact CZ3-CB 3.63Å; W18-P30 HydrophobicContact CZ3-CG 3.73Å; L28-P30 WeakPolarHBondContact O-CD 3.21Å; P30-G49 WeakPolarHBondContact CA-O 3.42Å; P30-C50 HydrophobicContact CB-CB 4.34Å
31	N	78.7	Confident	72.9	Confident	82 Å²	82	89.4 Å²	89.4	44%	0.439	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.1	175.3	72.6	-40	0	0	0	111.2	K33 W48 G49	N31-K33 PolarHBondContact O-N 2.68Å; N31-K33 PolarHBondContact OD1-NZ 3.13Å; N31-W48 CarbonylContact O-C 3.49Å; N31-W48 WeakPolarHBondContact O-CA 3.42Å; N31-G49 PolarHBondContact N-O 3.2Å; N31-G49 PolarHBondContact O-N 3.31Å; N31-G49 VanDerWaalsContact O-O 3.12Å; N31-G49 PolarHBondContact OD1-O 2.69Å
32	L	81.8	Confident	71.4	Confident	80 Å²	80	87.7 Å²	87.7	42%	0.419	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	129.1	169.7	-174.2	68.8	0	0	0	109.2	A46 W48	L32-A46 HydrophobicContact CD1-CB 3.76Å; L32-W48 HydrophobicContact CB-CD2 4.38Å; L32-W48 HydrophobicContact CB-CZ2 4.35Å; L32-W48 HydrophobicContact CD1-CG 4.46Å
33	K	78.1	Confident	70	Confident	83 Å²	83	91.4 Å²	91.4	36%	0.361	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-55.8	178.6	-61.7	-54.5	-161.8	-160.1	0	111.6	N31 M47 G49	N31-K33 PolarHBondContact O-N 2.68Å; N31-K33 PolarHBondContact OD1-NZ 3.13Å; K33-M47 HydrophobicContact CB-SD 4.34Å; K33-M47 PolarHBondContact N-O 2.72Å; K33-G49 WeakPolarHBondContact CE-O 3.45Å; K33-G49 PolarHBondContact NZ-O 3.3Å
34	H	69.4	Low	69.2	Low	114 Å²	114	90 Å²	90	53%	0.528	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.2	-172.3	-61.1	-64.9	0	0	0	111.2	L36 M47	H34-L36 HydrophobicContact CB-CD2 4.36Å; H34-L36 HydrophobicContact CB-CG 4.49Å; H34-M47 HydrophobicContact CB-CB 4.44Å; H34-M47 PolarHBondContact N-O 3.43Å; H34-M47 PolarHBondContact O-N 3.36Å
35	L	66.9	Low	68.4	Low	103 Å²	103	85.8 Å²	85.8	54%	0.539	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.2	172.5	-163.5	76.1	0	0	0	106.5	L44 A46 L60	L35-L44 HydrophobicContact CD1-CD2 4.13Å; L35-L44 HydrophobicContact CD1-CG 4.15Å; L35-L44 HydrophobicContact CD2-CD1 4.22Å; L35-L44 HydrophobicContact CD2-CD2 4.12Å; L35-L44 HydrophobicContact CD2-CG 4.46Å; L35-L44 HydrophobicContact CG-CD1 3.91Å; L35-L44 HydrophobicContact CG-CD2 4.15Å; L35-L44 HydrophobicContact CG-CG 4.03Å; L35-A46 HydrophobicContact CD1-CB 4.08Å; L35-L60 HydrophobicContact CD1-CD1 4.24Å
36	L	64.3	Low	68.1	Low	85 Å²	85	80.1 Å²	80.1	45%	0.445	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	-175.5	-61	176.9	0	0	0	109.5	H34 L44 T45 M47	H34-L36 HydrophobicContact CB-CD2 4.36Å; H34-L36 HydrophobicContact CB-CG 4.49Å; L36-L44 CarbonylContact O-C 3.52Å; L36-L44 WeakPolarHBondContact O-CA 3.36Å; L36-T45 PolarHBondContact N-O 2.9Å; L36-T45 PolarHBondContact O-N 2.61Å; L36-M47 HydrophobicContact CD1-CE 4.05Å
37	S	58.4	Low	67.8	Low	93 Å²	93	81.2 Å²	81.2	65%	0.65	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.1	173.8	-176.2	0	0	0	0	109.4
38	E	47.4	Very low	67.8	Low	147 Å²	147	78.1 Å²	78.1	69%	0.687	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	106.4	-173.2	-165.8	165.7	-138.8	0	0	112.3	N43	E38-N43 PolarHBondContact N-O 3.29Å
39	G	49.2	Very low	68	Low	62 Å²	62	74.9 Å²	74.9	64%	0.639	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	177	168.8	0	0	0	0	0	116.5	H41	G39-H41 PolarHBondContact O-N 3.32Å
40	S	42.5	Very low	68.3	Low	114 Å²	114	67.8 Å²	67.8	80%	0.797	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	11.5	-175.2	55.5	0	0	0	0	115.4
41	H	48.8	Very low	68.4	Low	160 Å²	160	71.4 Å²	71.4	74%	0.741	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	12.9	-177.1	-69.8	-66.2	0	0	0	113.9	G39 N43	G39-H41 PolarHBondContact O-N 3.32Å; H41-N43 VanDerWaalsContact C-N 3.32Å; H41-N43 PolarHBondContact O-N 2.83Å
42	G	53.1	Low	68.6	Low	31 Å²	31	70.2 Å²	70.2	32%	0.32	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	21.7	164.6	0	0	0	0	0	115.7	L44 A62	G42-L44 PolarHBondContact O-N 2.73Å; G42-A62 WeakPolarHBondContact O-CB 3.36Å
43	N	56.9	Low	68.6	Low	84 Å²	84	69.4 Å²	69.4	45%	0.449	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.3	170.8	-77.2	-33.9	0	0	0	109.1	E38 H41	E38-N43 PolarHBondContact N-O 3.29Å; H41-N43 VanDerWaalsContact C-N 3.32Å; H41-N43 PolarHBondContact O-N 2.83Å
44	L	67.3	Low	69	Low	25 Å²	25	68.9 Å²	68.9	13%	0.131	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.9	-176	-170.7	73.7	0	0	0	108.7	L5 L35 L36 G42 L60	L5-L44 HydrophobicContact CD1-CD2 3.57Å; L5-L44 HydrophobicContact CD2-CD2 3.72Å; L5-L44 HydrophobicContact CG-CD2 4.32Å; L35-L44 HydrophobicContact CD1-CD2 4.13Å; L35-L44 HydrophobicContact CD1-CG 4.15Å; L35-L44 HydrophobicContact CD2-CD1 4.22Å; L35-L44 HydrophobicContact CD2-CD2 4.12Å; L35-L44 HydrophobicContact CD2-CG 4.46Å; L35-L44 HydrophobicContact CG-CD1 3.91Å; L35-L44 HydrophobicContact CG-CD2 4.15Å; L35-L44 HydrophobicContact CG-CG 4.03Å; L36-L44 CarbonylContact O-C 3.52Å; L36-L44 WeakPolarHBondContact O-CA 3.36Å; G42-L44 PolarHBondContact O-N 2.73Å; L44-L60 HydrophobicContact CB-CB 4.27Å; L44-L60 HydrophobicContact CB-CD1 4.48Å; L44-L60 HydrophobicContact CD2-CD1 3.91Å; L44-L60 HydrophobicContact CG-CD1 4.19Å; L44-L60 PolarHBondContact N-O 2.79Å; L44-L60 WeakPolarHBondContact O-CA 3.39Å; L44-L60 WeakPolarHBondContact O-CB 3.38Å; L44-L60 WeakPolarHBondContact O-CG 3.3Å; L44-L60 PolarHBondContact O-N 3.37Å
45	T	72.3	Confident	69.9	Low	26 Å²	26	65.8 Å²	65.8	16%	0.16	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.2	-178.6	-64	0	0	0	0	110.9	L36 H57 W58	L36-T45 PolarHBondContact N-O 2.9Å; L36-T45 PolarHBondContact O-N 2.61Å; T45-H57 HydrophobicContact CG2-CB 4Å; T45-W58 WeakPolarHBondContact CA-O 3.38Å
46	A	79.4	Confident	70.8	Confident	5 Å²	5	63.2 Å²	63.2	4%	0.041	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111.7	173.6	0	0	0	0	0	110.3	L32 L35 W58 L60	L32-A46 HydrophobicContact CD1-CB 3.76Å; L35-A46 HydrophobicContact CD1-CB 4.08Å; A46-W58 HydrophobicContact CB-CB 4.3Å; A46-W58 HydrophobicContact CB-CE3 4.49Å; A46-W58 PolarHBondContact N-O 2.66Å; A46-W58 WeakPolarHBondContact O-CB 3.37Å; A46-W58 PolarHBondContact O-N 2.83Å; A46-L60 HydrophobicContact CB-CD1 4.05Å; A46-L60 HydrophobicContact CB-CG 4.47Å
47	M	80.3	Confident	71.7	Confident	40 Å²	40	64.1 Å²	64.1	20%	0.197	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.3	177.3	-173.8	-161.8	-66	0	0	110.1	K33 H34 L36	K33-M47 HydrophobicContact CB-SD 4.34Å; K33-M47 PolarHBondContact N-O 2.72Å; H34-M47 HydrophobicContact CB-CB 4.44Å; H34-M47 PolarHBondContact N-O 3.43Å; H34-M47 PolarHBondContact O-N 3.36Å; L36-M47 HydrophobicContact CD1-CE 4.05Å
48	W	84.6	Confident	72.7	Confident	58 Å²	58	61 Å²	61	22%	0.22	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	147.1	171.7	-70.9	74.5	0	0	0	110.3	L15 W18 N31 L32 A55 Y56 W58	L15-W48 HydrophobicContact CD1-CB 4.33Å; L15-W48 HydrophobicContact CD1-CD2 4.13Å; L15-W48 HydrophobicContact CD1-CG 3.87Å; L15-W48 HydrophobicContact CD2-CD2 4.44Å; L15-W48 HydrophobicContact CD2-CZ2 4.18Å; W18-W48 HydrophobicContact CZ3-CB 4.22Å; N31-W48 CarbonylContact O-C 3.49Å; N31-W48 WeakPolarHBondContact O-CA 3.42Å; L32-W48 HydrophobicContact CB-CD2 4.38Å; L32-W48 HydrophobicContact CB-CZ2 4.35Å; L32-W48 HydrophobicContact CD1-CG 4.46Å; W48-A55 CarbonylContact O-C 3Å; W48-A55 WeakPolarHBondContact O-CA 3.27Å; W48-Y56 PolarHBondContact N-O 2.67Å; W48-Y56 PolarHBondContact O-N 3.11Å; W48-W58 AromaticContact NE1-CE3 3.65Å
49	G	86.9	Confident	73.8	Confident	2 Å²	2	57 Å²	57	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	164.5	175.1	0	0	0	0	0	115.4	P30 N31 K33 H54	P30-G49 WeakPolarHBondContact CA-O 3.42Å; N31-G49 PolarHBondContact N-O 3.2Å; N31-G49 PolarHBondContact O-N 3.31Å; N31-G49 VanDerWaalsContact O-O 3.12Å; N31-G49 PolarHBondContact OD1-O 2.69Å; K33-G49 WeakPolarHBondContact CE-O 3.45Å; K33-G49 PolarHBondContact NZ-O 3.3Å; G49-H54 CarbonylContact C-O 3.49Å; G49-H54 WeakPolarHBondContact CA-O 3.49Å
50	C	87	Confident	74.7	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.034	33%	0.331	C	S	.	.			trans	-100	178.1	177.9	74.6	0	0	0	0	111.9	H22 L28 P30 A52 G53 H54	H22-C50 PolarHBondContact NE2-SG 2.97Å; L28-C50 HydrophobicContact CB-CB 4.04Å; P30-C50 HydrophobicContact CB-CB 4.34Å; C50-A52 VanDerWaalsContact C-N 3.29Å; C50-A52 PolarHBondContact O-N 2.82Å; C50-A52 PolarHBondContact SG-N 3.49Å; C50-A52 VanDerWaalsContact SG-N 3.39Å; C50-G53 PolarHBondContact O-N 3.41Å; C50-H54 PolarHBondContact N-O 3.32Å
51	S	83.1	Confident	75.3	Confident	100 Å²	100	52.6 Å²	52.6	70%	0.699	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-7.7	175.8	42	0	0	0	0	114.6	G53	S51-G53 VanDerWaalsContact C-N 3.34Å
52	A	82.4	Confident	75.5	Confident	58 Å²	58	47 Å²	47	48%	0.479	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.9	169.7	0	0	0	0	0	113.6	L28 C50 H54	L28-A52 HydrophobicContact CD1-CB 3.66Å; C50-A52 VanDerWaalsContact C-N 3.29Å; C50-A52 PolarHBondContact O-N 2.82Å; C50-A52 PolarHBondContact SG-N 3.49Å; C50-A52 VanDerWaalsContact SG-N 3.39Å; A52-H54 PolarHBondContact O-N 2.95Å
53	G	82.6	Confident	75.1	Confident	63 Å²	63	49.8 Å²	49.8	65%	0.649	31%	0.305	S	S	*	.	S	Bend	trans	85.1	-0.5	173.6	0	0	0	0	0	116	C50 S51 A55	C50-G53 PolarHBondContact O-N 3.41Å; S51-G53 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.26Å
54	H	87.1	Confident	74	Confident	72 Å²	72	50.9 Å²	50.9	33%	0.333	32%	0.318	S	S	.	.			trans	-63.7	132.4	166.9	-52.9	144.2	0	0	0	109.8	W18 H22 G49 C50 A52	W18-H54 HydrophobicContact CZ2-CB 4.47Å; H22-H54 AromaticContact CD2-CG 3.99Å; H22-H54 AromaticContact CD2-ND1 3.63Å; H22-H54 WeakPolarHBondContact NE2-CB 3.34Å; H22-H54 AromaticContact NE2-CG 3.7Å; H22-H54 AromaticContact NE2-ND1 3.12Å; H22-H54 PolarHBondContact NE2-ND1 3.01Å; H22-H54 VanDerWaalsContact NE2-ND1 3.12Å; G49-H54 CarbonylContact C-O 3.49Å; G49-H54 WeakPolarHBondContact CA-O 3.49Å; C50-H54 PolarHBondContact N-O 3.32Å; A52-H54 PolarHBondContact O-N 2.95Å
55	A	88.2	Confident	72.4	Confident	49 Å²	49	61.2 Å²	61.2	41%	0.405	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.8	-179.2	0	0	0	0	0	112.9	W48 G53	W48-A55 CarbonylContact O-C 3Å; W48-A55 WeakPolarHBondContact O-CA 3.27Å; G53-A55 PolarHBondContact O-N 3.26Å
56	Y	85.8	Confident	70.4	Confident	49 Å²	49	64.6 Å²	64.6	19%	0.192	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.8	172.5	179.1	-102.4	0	0	0	109.8	K14 L15 W18 W48 W58	K14-Y56 WeakPolarHBondContact CB-OH 3.22Å; L15-Y56 HydrophobicContact CB-CE1 4.25Å; L15-Y56 HydrophobicContact CD1-CD1 3.66Å; L15-Y56 HydrophobicContact CD1-CE1 4.03Å; W18-Y56 HydrophobicContact CB-CD2 4.12Å; W18-Y56 HydrophobicContact CB-CE2 4.48Å; W18-Y56 HydrophobicContact CB-CG 4.32Å; W18-Y56 AromaticContact CD1-CD2 3.9Å; W18-Y56 HydrophobicContact CD2-CD2 4.43Å; W18-Y56 HydrophobicContact CD2-CG 4.04Å; W18-Y56 HydrophobicContact CE3-CG 4.44Å; W18-Y56 AromaticContact CG-CD2 3.87Å; W18-Y56 HydrophobicContact CG-CD2 3.87Å; W18-Y56 AromaticContact CG-CG 3.94Å; W18-Y56 HydrophobicContact CG-CG 3.94Å; W48-Y56 PolarHBondContact N-O 2.67Å; W48-Y56 PolarHBondContact O-N 3.11Å; Y56-W58 HydrophobicContact CD1-CB 4.26Å; Y56-W58 HydrophobicContact CE1-CB 3.91Å
57	H	82.5	Confident	67.9	Low	103 Å²	103	67.9 Å²	67.9	48%	0.477	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.9	179.8	-63.2	89.6	0	0	0	108.9	T45 P59	T45-H57 HydrophobicContact CG2-CB 4Å; H57-P59 VanDerWaalsContact O-CD 3.32Å; H57-P59 WeakPolarHBondContact O-CD 3.41Å
58	W	80.2	Confident	65.5	Low	27 Å²	27	71.8 Å²	71.8	10%	0.102	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	105	178.3	-179.3	9.1	0	0	0	110.2	T7 L12 L15 T45 A46 W48 Y56 L60	T7-W58 HydrophobicContact CG2-CH2 3.89Å; T7-W58 HydrophobicContact CG2-CZ2 3.45Å; T7-W58 VanDerWaalsContact CG2-CZ2 3.45Å; L12-W58 HydrophobicContact CD1-CH2 4.1Å; L15-W58 HydrophobicContact CD2-CE3 3.67Å; L15-W58 HydrophobicContact CD2-CH2 4.28Å; L15-W58 HydrophobicContact CD2-CZ3 3.54Å; T45-W58 WeakPolarHBondContact CA-O 3.38Å; A46-W58 HydrophobicContact CB-CB 4.3Å; A46-W58 HydrophobicContact CB-CE3 4.49Å; A46-W58 PolarHBondContact N-O 2.66Å; A46-W58 WeakPolarHBondContact O-CB 3.37Å; A46-W58 PolarHBondContact O-N 2.83Å; W48-W58 AromaticContact NE1-CE3 3.65Å; Y56-W58 HydrophobicContact CD1-CB 4.26Å; Y56-W58 HydrophobicContact CE1-CB 3.91Å; W58-L60 HydrophobicContact CD2-CD2 3.86Å; W58-L60 HydrophobicContact CE3-CD2 4.38Å; W58-L60 HydrophobicContact CG-CD2 4.16Å; W58-L60 HydrophobicContact CZ2-CD2 4.13Å
59	P	70.4	Confident	62.8	Low	65 Å²	65	78.4 Å²	78.4	42%	0.422	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.1	172.6	28.9	-34.1	0	0	0	111.2	H57	H57-P59 VanDerWaalsContact O-CD 3.32Å; H57-P59 WeakPolarHBondContact O-CD 3.41Å
60	L	67.1	Low	60	Low	16 Å²	16	85.4 Å²	85.4	8%	0.084	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109	175.8	-48.5	169.3	0	0	0	107.3	T7 L35 L44 A46 W58 A62	T7-L60 HydrophobicContact CG2-CD2 3.71Å; L35-L60 HydrophobicContact CD1-CD1 4.24Å; L44-L60 HydrophobicContact CB-CB 4.27Å; L44-L60 HydrophobicContact CB-CD1 4.48Å; L44-L60 HydrophobicContact CD2-CD1 3.91Å; L44-L60 HydrophobicContact CG-CD1 4.19Å; L44-L60 PolarHBondContact N-O 2.79Å; L44-L60 WeakPolarHBondContact O-CA 3.39Å; L44-L60 WeakPolarHBondContact O-CB 3.38Å; L44-L60 WeakPolarHBondContact O-CG 3.3Å; L44-L60 PolarHBondContact O-N 3.37Å; A46-L60 HydrophobicContact CB-CD1 4.05Å; A46-L60 HydrophobicContact CB-CG 4.47Å; W58-L60 HydrophobicContact CD2-CD2 3.86Å; W58-L60 HydrophobicContact CE3-CD2 4.38Å; W58-L60 HydrophobicContact CG-CD2 4.16Å; W58-L60 HydrophobicContact CZ2-CD2 4.13Å; L60-A62 PolarHBondContact O-N 3.49Å
61	T	56.3	Low	57.3	Low	67 Å²	67	94.4 Å²	94.4	41%	0.411	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	108.7	-175.7	49.4	0	0	0	0	111.1	T63	T61-T63 PolarHBondContact O-N 3.07Å; T61-T63 VanDerWaalsContact O-N 3.09Å
62	A	51.8	Low	54.6	Low	42 Å²	42	96.1 Å²	96.1	35%	0.347	56%	0.556	S	S	.	*			trans	-73.1	95.8	174.9	0	0	0	0	0	111.5	G42 L60 C64	G42-A62 WeakPolarHBondContact O-CB 3.36Å; L60-A62 PolarHBondContact O-N 3.49Å; A62-C64 PolarHBondContact O-N 3.1Å; A62-C64 VanDerWaalsContact O-N 3.16Å
63	T	45.4	Very low	52	Low	89 Å²	89	99.4 Å²	99.4	55%	0.546	57%	0.574	S	S	.	*			trans	-88.2	74.6	-178.1	40.8	0	0	0	0	112.8	T61 R65	T61-T63 PolarHBondContact O-N 3.07Å; T61-T63 VanDerWaalsContact O-N 3.09Å; T63-R65 PolarHBondContact O-N 2.85Å
64	C	33.7	Very low	49.2	Very low	107 Å²	107	104.4 Å²	104.4	72%	0.723	58%	0.578	S	S	*	*			trans	-63.9	88.5	174.3	-73.5	0	0	0	0	112.9	A62 A66	A62-C64 PolarHBondContact O-N 3.1Å; A62-C64 VanDerWaalsContact O-N 3.16Å; C64-A66 PolarHBondContact O-N 3.29Å
65	R	33.8	Very low	46.3	Very low	243 Å²	243	108.5 Å²	108.5	92%	0.917	60%	0.598	S	S	*	*			trans	-81.4	83.5	161.7	-82.1	-165.5	175.1	-133.7	1.1	110.3	T63 G67	T63-R65 PolarHBondContact O-N 2.85Å; R65-G67 VanDerWaalsContact C-N 3.33Å; R65-G67 PolarHBondContact O-N 2.99Å
66	A	30.4	Very low	43.3	Very low	96 Å²	96	111.6 Å²	111.6	79%	0.793	61%	0.607	S	S	*	*			trans	-68	89.7	166.4	0	0	0	0	0	110.1	C64 S68	C64-A66 PolarHBondContact O-N 3.29Å; A66-S68 PolarHBondContact O-N 3.45Å; A66-S68 VanDerWaalsContact O-N 3.13Å
67	G	27	Very low	40.7	Very low	75 Å²	75	114.5 Å²	114.5	77%	0.773	63%	0.626	S	S	*	*			trans	-78.7	86.3	178.8	0	0	0	0	0	112.4	R65	R65-G67 VanDerWaalsContact C-N 3.33Å; R65-G67 PolarHBondContact O-N 2.99Å
68	S	28.7	Very low	38.3	Very low	121 Å²	121	120 Å²	120	85%	0.846	64%	0.643	S	S	*	*			trans	-73.8	121.6	164.2	46.8	0	0	0	0	110	A66	A66-S68 PolarHBondContact O-N 3.45Å; A66-S68 VanDerWaalsContact O-N 3.13Å
69	Q	29.4	Very low	35.7	Very low	198 Å²	198	122.9 Å²	122.9	93%	0.925	67%	0.667	S	S	*	*			trans	-120	86.5	177.3	-169	-179.7	28.9	0	0	110.9
70	E	27.6	Very low	33.6	Very low	149 Å²	149	128.6 Å²	128.6	70%	0.696	69%	0.685	S	S	*	*			trans	-140.2	129.8	160.7	-159.5	171.3	-162.3	0	0	112.1
71	R	28.8	Very low	31.6	Very low	193 Å²	193	134.1 Å²	134.1	73%	0.728	72%	0.715	S	S	*	*			trans	35.4	106	170.7	-65	-172.9	-154.5	77.7	23.5	120.9
72	V	28.3	Very low	30.3	Very low	136 Å²	136	135.2 Å²	135.2	82%	0.824	73%	0.725	S	S	*	*				48	110.7	118.9	-176.8	0	0	0	0	118.8
73	C	26.6	Very low	29.1	Very low	127 Å²	127	139.9 Å²	139.9	86%	0.858	74%	0.744	S	S	*	*				-154.5	175	124.1	-151.1	0	0	0	0	111.9
74	F	23.3	Very low	28.3	Very low	169 Å²	169	140.7 Å²	140.7	74%	0.741	75%	0.754	S	S	*	*			trans	-81.6	156.6	-166.9	-87.6	-115	0	0	0	115.8
75	Q	27.2	Very low	29	Very low	158 Å²	158	140.9 Å²	140.9	74%	0.738	75%	0.754	S	S	*	*			trans	67.1	152	144.1	-75	177.1	-65.9	0	0	119.7
76	D	25.7	Very low	28.7	Very low	113 Å²	113	134 Å²	134	60%	0.604	74%	0.743	S	S	*	*			cis	-148.7	170.6	-9.9	-137.4	-46.6	0	0	0	112.4
77	N	29.9	Very low	28.7	Very low	110 Å²	110	136.3 Å²	136.3	59%	0.588	74%	0.74	S	S	*	*			trans	-4.3	138.7	161.5	-90.9	-86.7	0	0	0	122.1
78	R	32.1	Very low	29	Very low	220 Å²	220	140.4 Å²	140.4	83%	0.83	74%	0.743	S	S	*	*			trans	72.1	164	140.1	-66.7	169.4	-162.2	-145.4	4.4	119.2
79	S	26.4	Very low	28.9	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	74%	0.739	S	S	*	*			cis	-174.4	152.8	-36.7	60.1	0	0	0	0	111
80	F	25.3	Very low	28.9	Very low	184 Å²	184	135.4 Å²	135.4	81%	0.807	74%	0.735	S	S	*	*			trans	72.9	139.1	158.2	-79.3	-69.3	0	0	0	121.7
81	N	25.8	Very low	30	Very low	133 Å²	133	133.5 Å²	133.5	71%	0.711	74%	0.736	S	S	*	*			trans	75.8	96.2	139.2	-74.9	2.7	0	0	0	122.9
82	S	29.2	Very low	30.2	Very low	89 Å²	89	128.7 Å²	128.7	62%	0.622	73%	0.732	S	S	*	*				73	135	106.5	69.7	0	0	0	0	121.9
83	D	27.4	Very low	30.3	Very low	140 Å²	140	130.7 Å²	130.7	75%	0.749	73%	0.732	S	S	*	*			trans	69.2	101.7	149.2	-59	-32.7	0	0	0	120.5
84	S	28.5	Very low	30.7	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	72%	0.721	S	S	*	*				44.7	148.4	96	-57.7	0	0	0	0	119.9
85	P	46.7	Very low	31	Very low	111 Å²	111	129.4 Å²	129.4	72%	0.721	72%	0.723	S	S	*	*			cis	-143.1	-167.8	-20.1	35.2	-13	0	0	0	114.6
86	S	27.8	Very low	31.1	Very low	99 Å²	99	127.8 Å²	127.8	69%	0.692	72%	0.724	S	S	*	*			trans	91.2	129.9	139.7	-71.4	0	0	0	0	122.9
87	I	32.1	Very low	31.4	Very low	144 Å²	144	127.2 Å²	127.2	74%	0.738	73%	0.729	S	S	*	*			trans	91.5	107	132.5	-75.8	171.4	0	0	0	120.7
88	I	31.5	Very low	32.4	Very low	162 Å²	162	127.2 Å²	127.2	83%	0.831	74%	0.735	S	S	*	*			trans	50	118.4	132.2	-48.9	173.1	0	0	0	119.2
89	G	27.4	Very low	32.3	Very low	74 Å²	74	123 Å²	123	76%	0.763	73%	0.734	S	S	*	*			trans	-173.3	109.2	162.6	0	0	0	0	0	113.5
90	V	29	Very low	32.6	Very low	140 Å²	140	125.1 Å²	125.1	85%	0.848	73%	0.734	S	S	*	*			trans	-143	150	-174.7	174.4	0	0	0	0	107
91	P	52.2	Low	32.8	Very low	109 Å²	109	125.8 Å²	125.8	71%	0.708	73%	0.731	S	S	*	*			cis	-130.3	-164.2	-6.4	30.2	-6.6	0	0	0	114.7
92	S	31.1	Very low	32.9	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	74%	0.738	S	S	*	*				113.1	118	129.7	-84.3	0	0	0	0	122.5
93	E	32.3	Very low	33.8	Very low	177 Å²	177	131.9 Å²	131.9	83%	0.827	75%	0.749	S	S	*	*				55.2	143	120.1	-69.7	-165.5	148.5	0	0	122.8
94	T	33.1	Very low	33.7	Very low	104 Å²	104	128.8 Å²	128.8	64%	0.638	75%	0.75	S	S	*	*			cis	-165.5	170.6	-23.8	-27.3	0	0	0	0	110.2
95	Q	31.2	Very low	33.8	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	75%	0.751	S	S	*	*			trans	72.3	158.4	156.8	-69.8	179.3	57.1	0	0	117.5
96	T	27.9	Very low	33.6	Very low	123 Å²	123	133.7 Å²	133.7	76%	0.755	75%	0.753	S	S	*	*			cis	-147.1	176.8	8.2	-15.3	0	0	0	0	113.5
97	S	32	Very low	33.6	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	74%	0.744	S	S	*	*			trans	-95.7	-160.3	-179	65	0	0	0	0	112.7
98	P	50.9	Low	33.6	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	75%	0.75	S	S	*	*			cis	-149.5	-155.3	25.8	38.8	-11.9	0	0	0	117.8
99	V	31.4	Very low	33.3	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	74%	0.74	S	S	*	*			trans	83.9	133.2	161	159.7	0	0	0	0	116.8
100	E	32	Very low	33.3	Very low	130 Å²	130	137 Å²	137	61%	0.607	74%	0.743	S	S	*	*			cis	-167.7	178.5	-5.3	-140.2	-141.8	99.2	0	0	115.8
101	R	30.3	Very low	33.2	Very low	198 Å²	198	137 Å²	137	75%	0.747	74%	0.738	S	S	*	*			trans	74.4	140.7	150.5	-131.4	167.3	-67.7	165.5	3.8	124.3
102	Y	28.1	Very low	32	Very low	220 Å²	220	139.3 Å²	139.3	86%	0.863	74%	0.744	S	S	*	*			trans	-159.7	168.1	179.5	-112.9	-84.6	0	0	0	109.7
103	P	47.1	Very low	31.6	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	75%	0.751	S	S	*	*				-153.3	159.5	109.7	38.7	-21.5	0	0	0	117.2
104	G	24.3	Very low	31.4	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	75%	0.753	S	S	*	*			trans	150.5	109.8	165.2	0	0	0	0	0	115.2
105	R	31.3	Very low	31.1	Very low	203 Å²	203	145.2 Å²	145.2	77%	0.766	76%	0.762	S	S	*	*			trans	-159.8	158	-179.1	-125.4	176.4	-171.6	-69	5.3	110	V107	R105-V107 HydrophobicContact CB-CG2 4.29Å; R105-V107 HydrophobicContact CG-CG2 4.16Å
106	P	42.4	Very low	30.9	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	75%	0.754	S	S	*	*				-139.3	137.8	78	32.1	-13.8	0	0	0	116.1
107	V	29	Very low	30.8	Very low	82 Å²	82	146.3 Å²	146.3	50%	0.497	76%	0.756	S	S	.	*				58	127.2	82.3	-125.1	0	0	0	0	112.6	R105	R105-V107 HydrophobicContact CB-CG2 4.29Å; R105-V107 HydrophobicContact CG-CG2 4.16Å
108	K	30.2	Very low	30.4	Very low	199 Å²	199	146.6 Å²	146.6	87%	0.865	75%	0.75	S	S	*	*			cis	-158.3	159.6	48	-71.5	173.2	-176.4	171.2	0	113.7
109	A	26.9	Very low	29.2	Very low	76 Å²	76	147.2 Å²	147.2	63%	0.628	76%	0.757	S	S	*	*			cis	-175.1	154.4	-19.5	0	0	0	0	0	113.1
110	K	27.1	Very low	28.9	Very low	190 Å²	190	147 Å²	147	83%	0.826	76%	0.76	S	S	*	*			trans	67.7	147.4	148	-81.5	-163.1	174.6	-171	0	119.6
111	L	26.1	Very low	28.5	Very low	142 Å²	142	148.3 Å²	148.3	74%	0.743	77%	0.771	S	S	*	*			cis	-163.1	141.3	-12.7	-170.2	86.7	0	0	0	110.1
112	D	27.3	Very low	28.1	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	78%	0.776	S	S	*	*			trans	-77.2	153.3	164.8	-65.2	-75.8	0	0	0	113.8
113	C	23.8	Very low	28	Very low	117 Å²	117	142.9 Å²	142.9	79%	0.791	77%	0.771	S	S	*	*			trans	-161.4	123.8	148.2	-164.3	0	0	0	0	112.8
114	N	26.1	Very low	26.9	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	77%	0.77	S	S	*	*			trans	-86.8	139.3	164.6	-86.5	-41.6	0	0	0	110.4
115	R	28.1	Very low	26.9	Very low	218 Å²	218	147.6 Å²	147.6	82%	0.823	76%	0.763	S	S	*	*			trans	-156.9	125.6	159	-130.8	-171.9	71.1	177.1	-3.8	116.8
116	T	26.8	Very low	26.7	Very low	101 Å²	101	143.5 Å²	143.5	62%	0.62	77%	0.766	S	S	*	*			trans	58.9	105.6	146.6	44.4	0	0	0	0	121.1
117	R	25.6	Very low	26.1	Very low	211 Å²	211	146.7 Å²	146.7	80%	0.796	77%	0.771	S	S	*	*				59.1	137.2	112.8	-97.8	-175.8	65.6	-175.1	-4.5	121.8
118	D	23.9	Very low	26.4	Very low	109 Å²	109	148.2 Å²	148.2	58%	0.583	78%	0.782	S	S	*	*			trans	89.6	136.4	142.1	-65.1	0.6	0	0	0	122.5
119	S	25	Very low	26.2	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	78%	0.781	S	S	*	*			trans	87.5	135.9	154.9	73.3	0	0	0	0	119.1
120	C	26.5	Very low	26.5	Very low	128 Å²	128	150 Å²	150	87%	0.865	79%	0.794	S	S	*	*			trans	-98.6	147.6	172.2	-36.3	0	0	0	0	108.3
121	D	22.5	Very low	26.6	Very low	157 Å²	157	149 Å²	149	84%	0.84	80%	0.797	S	S	*	*				-158.2	173.3	128	-144.8	-17.8	0	0	0	111.3
122	F	22.8	Very low	26.7	Very low	196 Å²	196	149 Å²	149	86%	0.86	80%	0.797	S	S	*	*			trans	-83.2	178.2	179.1	-91.4	-107.2	0	0	0	113.9
123	S	26	Very low	26.7	Very low	109 Å²	109	151 Å²	151	76%	0.762	80%	0.802	S	S	*	*			trans	97.1	89.3	145.8	-169.1	0	0	0	0	120.7
124	Y	23.3	Very low	27.2	Very low	211 Å²	211	149.8 Å²	149.8	83%	0.827	80%	0.8	S	S	*	*				83.8	116.6	118.9	-146.1	-106.4	0	0	0	121.1
125	C	23.9	Very low	27.5	Very low	92 Å²	92	148.8 Å²	148.8	62%	0.622	80%	0.8	S	S	*	*			trans	48.6	123.5	153.4	-58.2	0	0	0	0	119.5
126	S	27.9	Very low	27.8	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	80%	0.797	S	S	*	*				-174	161.2	67.2	-57.1	0	0	0	0	112.8
127	E	29.9	Very low	27.8	Very low	186 Å²	186	150.8 Å²	150.8	87%	0.869	81%	0.812	S	S	*	*			trans	-63.4	171	156.6	-67.5	175.9	114.5	0	0	111.1
128	P	35.6	Very low	28.1	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	81%	0.81	S	S	*	*			cis	-143.4	174.8	19.1	44.1	-26.4	0	0	0	117.5
129	S	25.8	Very low	28.6	Very low	120 Å²	120	153 Å²	153	84%	0.839	82%	0.82	S	S	*	*				174.3	143.2	122.8	-74	0	0	0	0	111.6
130	E	31.6	Very low	28.8	Very low	193 Å²	193	153.3 Å²	153.3	90%	0.902	81%	0.812	S	S	*	*			trans	-84.4	138.4	-177.9	-55.7	164.2	134.2	0	0	112.2
131	L	29.6	Very low	29.1	Very low	168 Å²	168	153.9 Å²	153.9	88%	0.88	80%	0.802	S	S	*	*			trans	-158.1	99.5	132.9	-158.5	69.1	0	0	0	111.9
132	D	28.7	Very low	29.6	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	80%	0.795	S	S	*	*			trans	29.3	108.3	143	-161.5	25.1	0	0	0	120
133	E	28.3	Very low	30.1	Very low	198 Å²	198	148.3 Å²	148.3	93%	0.925	79%	0.785	S	S	*	*			trans	-152.8	136.3	134.2	-131.9	172.5	-146.5	0	0	109.9
134	A	33.4	Very low	30.5	Very low	92 Å²	92	149.3 Å²	149.3	76%	0.76	78%	0.782	S	S	*	*			trans	-96.4	136.5	-167.3	0	0	0	0	0	113.7
135	V	32.5	Very low	30.9	Very low	141 Å²	141	146.9 Å²	146.9	86%	0.855	78%	0.776	S	S	*	*			trans	-129.3	122	164.8	179.8	0	0	0	0	108.7	E137	V135-E137 PolarHBondContact O-N 3.45Å
136	E	34.1	Very low	31.2	Very low	164 Å²	164	149.5 Å²	149.5	77%	0.766	78%	0.784	S	S	*	*			trans	-70.4	117.2	174.5	-69	-86.7	158.1	0	0	110.1	Y138	E136-Y138 WeakPolarHBondContact OE2-CD2 3.43Å
137	E	26.9	Very low	31.2	Very low	198 Å²	198	151.3 Å²	151.3	93%	0.925	78%	0.781	S	S	*	*			trans	-110.4	90.9	166.4	-166.7	167.7	-125	0	0	109	V135	V135-E137 PolarHBondContact O-N 3.45Å
138	Y	32.4	Very low	31.2	Very low	196 Å²	196	148.3 Å²	148.3	77%	0.769	78%	0.775	S	S	*	*			trans	-115.1	150.4	179.5	-118.5	-86.5	0	0	0	110.2	E136	E136-Y138 WeakPolarHBondContact OE2-CD2 3.43Å
139	E	34.3	Very low	31	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	77%	0.769	S	S	*	*			trans	75.5	81.4	169.4	-49.8	-163.1	146.2	0	0	119.8
140	D	29.3	Very low	31.2	Very low	128 Å²	128	147.7 Å²	147.7	68%	0.684	76%	0.758	S	S	*	*	S	Bend	trans	-151	32.4	132.7	-160.6	20.3	0	0	0	114.8	T143	D140-T143 WeakPolarHBondContact OD1-CB 3.49Å; D140-T143 PolarHBondContact OD1-OG1 3.36Å
141	E	32.3	Very low	31	Very low	140 Å²	140	143.2 Å²	143.2	65%	0.654	75%	0.748	S	S	*	*	S	Bend	trans	-101.4	-19.6	174	-77.7	-77.3	165.6	0	0	112.9	T143 F145	E141-T143 VanDerWaalsContact C-N 3.34Å; E141-T143 PolarHBondContact O-N 3.28Å; E141-F145 WeakPolarHBondContact O-CD2 3.32Å
142	N	32	Very low	31.1	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-73.9	-25.9	-179.6	-77.4	-8.5	0	0	0	112.8	L144 F145	N142-L144 PolarHBondContact O-N 3.38Å; N142-F145 PolarHBondContact O-N 3.32Å
143	T	34.4	Very low	31.2	Very low	108 Å²	108	138.1 Å²	138.1	66%	0.663	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-66.5	-21.1	-177	-33	0	0	0	0	112.8	D140 E141	D140-T143 WeakPolarHBondContact OD1-CB 3.49Å; D140-T143 PolarHBondContact OD1-OG1 3.36Å; E141-T143 VanDerWaalsContact C-N 3.34Å; E141-T143 PolarHBondContact O-N 3.28Å
144	L	34.3	Very low	31.5	Very low	130 Å²	130	134.3 Å²	134.3	68%	0.681	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-79.4	-15.6	-178.1	-171.1	58.6	0	0	0	113.9	N142	N142-L144 PolarHBondContact O-N 3.38Å
145	F	31.7	Very low	31.5	Very low	161 Å²	161	135.1 Å²	135.1	71%	0.706	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-85.1	-13.9	-168.7	-79.9	-88.4	0	0	0	115.9	E141 N142	E141-F145 WeakPolarHBondContact O-CD2 3.32Å; N142-F145 PolarHBondContact O-N 3.32Å
146	D	30	Very low	31.7	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-89.6	-1.4	-171.5	-146.3	31.7	0	0	0	114.3	V148	D146-V148 VanDerWaalsContact C-N 3.3Å; D146-V148 PolarHBondContact O-N 2.84Å
147	M	27.8	Very low	31.7	Very low	155 Å²	155	136.5 Å²	136.5	76%	0.764	72%	0.717	S	S	*	*			trans	-83.1	68.4	178.1	-161.9	-175.3	-58.9	0	0	112.3	C149	M147-C149 PolarHBondContact O-N 2.85Å
148	V	31.1	Very low	32	Very low	122 Å²	122	132.5 Å²	132.5	74%	0.739	71%	0.711	S	S	*	*			trans	-66.8	87.9	-178.5	-175.9	0	0	0	0	111.9	D146 E150	D146-V148 VanDerWaalsContact C-N 3.3Å; D146-V148 PolarHBondContact O-N 2.84Å; V148-E150 PolarHBondContact O-N 3.31Å
149	C	29.9	Very low	31.9	Very low	93 Å²	93	131.1 Å²	131.1	63%	0.628	72%	0.717	S	S	*	*			trans	-77.8	104.8	172	-71.4	0	0	0	0	111.6	M147 S151	M147-C149 PolarHBondContact O-N 2.85Å; C149-S151 PolarHBondContact O-N 3.24Å
150	E	30.4	Very low	31.5	Very low	128 Å²	128	132.7 Å²	132.7	60%	0.598	72%	0.722	S	S	*	*			trans	-66	75.5	168	-73	-152	160.6	0	0	112.3	V148 N404	V148-E150 PolarHBondContact O-N 3.31Å; E150-N404 PolarHBondContact OE1-ND2 3.01Å; E150-N404 PolarHBondContact OE2-ND2 3.07Å; E150-N404 VanDerWaalsContact OE2-ND2 3.12Å
151	S	27	Very low	31.6	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	73%	0.725	S	S	*	*			trans	-153.3	44.1	179.2	-79.8	0	0	0	0	114.1	C149 V153	C149-S151 PolarHBondContact O-N 3.24Å; S151-V153 PolarHBondContact O-N 2.83Å
152	S	31.4	Very low	31.4	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	73%	0.728	S	S	*	*			trans	-67.6	109.6	159.4	-58.2	0	0	0	0	109.8
153	V	31.1	Very low	31.3	Very low	109 Å²	109	135.5 Å²	135.5	66%	0.661	74%	0.736	S	S	*	*			trans	-99.5	101.6	167.3	-179.9	0	0	0	0	107.7	S151	S151-V153 PolarHBondContact O-N 2.83Å
154	T	34.8	Very low	30.9	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	74%	0.744	S	S	*	*			trans	-100.3	115.5	163.6	47.7	0	0	0	0	107.2	E156	T154-E156 PolarHBondContact O-N 2.67Å
155	D	34.3	Very low	30.5	Very low	109 Å²	109	139.7 Å²	139.7	58%	0.583	75%	0.754	S	S	*	*			trans	-88.2	97.6	172.5	-104.3	-9.9	0	0	0	106.9
156	E	36.7	Very low	30.4	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	76%	0.761	S	S	*	*			trans	-128.4	97.4	172.1	-69	-83.5	114.9	0	0	105.9	T154	T154-E156 PolarHBondContact O-N 2.67Å
157	D	34.3	Very low	30.3	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	76%	0.761	S	S	*	*			trans	-73.8	134.2	177	-84.3	-39.7	0	0	0	110.2
158	S	32	Very low	30.3	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	77%	0.765	S	S	*	*			trans	-158.4	88.9	174.4	-75.4	0	0	0	0	109.5	F160	S158-F160 PolarHBondContact O-N 2.91Å
159	D	31	Very low	30.1	Very low	167 Å²	167	143.1 Å²	143.1	89%	0.893	77%	0.772	S	S	*	*			trans	-68.7	107.5	171.3	-84	-42.3	0	0	0	110.5
160	F	25.6	Very low	29.9	Very low	204 Å²	204	146.3 Å²	146.3	90%	0.895	78%	0.781	S	S	*	*			trans	-158.3	123.2	150.3	-125.8	-81.3	0	0	0	111.7	S158	S158-F160 PolarHBondContact O-N 2.91Å
161	E	31.4	Very low	29.7	Very low	162 Å²	162	145 Å²	145	76%	0.757	79%	0.792	S	S	*	*			trans	-93.7	139.1	177	-97.8	-82.2	154.5	0	0	111.5
162	P	29.1	Very low	29.7	Very low	109 Å²	109	152.3 Å²	152.3	71%	0.708	81%	0.805	S	S	*	*			trans	-120.6	86.1	153.7	35.1	-23.9	0	0	0	111.4	T164	P162-T164 PolarHBondContact O-N 3.38Å; P162-T164 VanDerWaalsContact O-N 3.13Å; P162-T164 PolarHBondContact O-OG1 3.5Å
163	Q	28.8	Very low	29.6	Very low	184 Å²	184	157.6 Å²	157.6	86%	0.86	82%	0.816	S	S	*	*			trans	-51.7	111.8	176.8	179.6	-177.4	-4.2	0	0	112.6
164	T	26.2	Very low	29.4	Very low	134 Å²	134	164.1 Å²	164.1	82%	0.822	83%	0.829	S	S	*	*			trans	-136.3	159.7	174	34.2	0	0	0	0	113	P162	P162-T164 PolarHBondContact O-N 3.38Å; P162-T164 VanDerWaalsContact O-N 3.13Å; P162-T164 PolarHBondContact O-OG1 3.5Å
165	Q	26.8	Very low	29.1	Very low	192 Å²	192	164.5 Å²	164.5	90%	0.897	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94.2	158.6	-159	-64.8	176.6	-7.8	0	0	114.2
166	R	28.7	Very low	28.7	Very low	228 Å²	228	163 Å²	163	86%	0.86	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-93	120.1	-171	179	-171.4	-170.1	179.7	5.5	112.5
167	P	28.3	Very low	28.3	Very low	120 Å²	120	163 Å²	163	78%	0.779	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-71	145.6	164.4	-15.2	30.8	0	0	0	111.4
168	Q	27.4	Very low	28	Very low	182 Å²	182	161.7 Å²	161.7	85%	0.85	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-97.8	133.1	170.2	-66.1	176.7	-15.5	0	0	109.5
169	S	26.4	Very low	28.3	Very low	126 Å²	126	161.4 Å²	161.4	88%	0.881	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-90.8	127.9	175.7	47	0	0	0	0	111.5
170	I	26.2	Very low	28.1	Very low	161 Å²	161	158.7 Å²	158.7	83%	0.826	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-94.5	126.9	177.1	-63.5	174	0	0	0	109
171	A	26.4	Very low	28.2	Very low	101 Å²	101	154.1 Å²	154.1	84%	0.835	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-78.7	132.6	175.3	0	0	0	0	0	111.4
172	R	27.4	Very low	28.1	Very low	251 Å²	251	153.2 Å²	153.2	95%	0.947	83%	0.827	S	S	*	*			trans	-115.2	120.2	178.4	-141.7	175.7	-167.1	178.6	4	110.4
173	K	27.9	Very low	28	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.3	150.5	177.4	-65.2	179.2	178.1	178.5	0	110.9
174	R	27.5	Very low	28	Very low	246 Å²	246	152.3 Å²	152.3	93%	0.928	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.2	150.1	159.3	-93.2	-174.4	175.9	170	0.6	110.3
175	P	28.5	Very low	28	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.7	155.8	177.4	34.4	-35.1	0	0	0	112.4
176	G	25.3	Very low	28.2	Very low	77 Å²	77	146 Å²	146	79%	0.794	82%	0.818	S	S	*	*			trans	-126	145.6	165.5	0	0	0	0	0	109.9
177	I	28.5	Very low	28.1	Very low	170 Å²	170	144 Å²	144	87%	0.872	82%	0.819	S	S	*	*			trans	-105.4	121.6	-176.1	-62.6	169.6	0	0	0	109.4
178	V	29.8	Very low	28.1	Very low	138 Å²	138	141.1 Å²	141.1	84%	0.836	81%	0.811	S	S	*	*			trans	-147.5	132.4	166.7	-172.3	0	0	0	0	109.2
179	P	37	Very low	28.1	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	81%	0.807	S	S	*	*			trans	-104.5	127	179.4	35.3	-30	0	0	0	115.5
180	S	27.6	Very low	28.2	Very low	110 Å²	110	141.5 Å²	141.5	77%	0.769	80%	0.801	S	S	*	*			trans	76.8	159.9	137.1	74.7	0	0	0	0	122.7
181	S	27.7	Very low	28.3	Very low	109 Å²	109	140 Å²	140	76%	0.762	80%	0.799	S	S	*	*			trans	75.7	138.4	178.8	76.5	0	0	0	0	117
182	I	29.5	Very low	28.3	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	80%	0.798	S	S	*	*			cis	-156.2	139.8	-6.5	-109.4	162.8	0	0	0	108.1
183	H	27.1	Very low	28.4	Very low	169 Å²	169	139.7 Å²	139.7	78%	0.782	80%	0.796	S	S	*	*			trans	33	153.7	154	-66.8	-87.2	0	0	0	123.5
184	S	28	Very low	28.4	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	79%	0.79	S	S	*	*			cis	-165.3	149.5	2.3	-118.2	0	0	0	0	112.6
185	G	26.7	Very low	28.4	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	78%	0.78	S	S	*	*			trans	72.2	154.8	161.9	0	0	0	0	0	117.5
186	S	29.8	Very low	28.3	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	78%	0.778	S	S	*	*			cis	-172.6	150.8	-11.7	51.9	0	0	0	0	107.3
187	Q	27	Very low	28.4	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	78%	0.782	S	S	*	*			cis	178.3	144.3	-6.6	167.7	178.5	2.1	0	0	104.7
188	G	28.3	Very low	28.5	Very low	60 Å²	60	130.9 Å²	130.9	62%	0.619	77%	0.773	S	S	*	*			trans	128.7	99.1	177.1	0	0	0	0	0	112.1
189	Q	27.9	Very low	28.5	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	77%	0.771	S	S	*	*				65.6	120.6	75.5	-69.6	-175.7	-43.5	0	0	112.5
190	M	28.7	Very low	28.2	Very low	151 Å²	151	133.3 Å²	133.3	74%	0.744	77%	0.773	S	S	*	*			cis	-142.2	170.6	-1.5	-50.3	-170.2	-178.6	0	0	107.9
191	V	27.5	Very low	28.4	Very low	130 Å²	130	137 Å²	137	79%	0.788	78%	0.775	S	S	*	*			cis	66.1	106.7	32.6	-172.9	0	0	0	0	112.2
192	D	26.3	Very low	28.5	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	78%	0.781	S	S	*	*			cis	88.3	109	30.3	-164	31.1	0	0	0	115
193	E	29.8	Very low	28.7	Very low	194 Å²	194	142.8 Å²	142.8	91%	0.907	79%	0.787	S	S	*	*			trans	-159.4	108.1	166	-173.4	175.7	-172.7	0	0	110.5
194	C	27.6	Very low	28.7	Very low	112 Å²	112	143.1 Å²	143.1	76%	0.757	79%	0.786	S	S	*	*			trans	-155.5	139.9	148.5	-165	0	0	0	0	110.9
195	S	27.6	Very low	28.8	Very low	103 Å²	103	146.7 Å²	146.7	72%	0.72	79%	0.792	S	S	*	*			trans	-70.7	155.3	-172.5	-166.5	0	0	0	0	113.8
196	N	25.9	Very low	28.8	Very low	147 Å²	147	151.4 Å²	151.4	79%	0.786	79%	0.793	S	S	*	*			trans	-110.7	114.1	167.5	-83.7	-109.9	0	0	0	109.5
197	D	28.3	Very low	28.7	Very low	162 Å²	162	152.9 Å²	152.9	87%	0.866	79%	0.79	S	S	*	*			trans	-99.3	134.2	168	-105	-53.9	0	0	0	110.9
198	V	30.8	Very low	29.2	Very low	114 Å²	114	148.4 Å²	148.4	69%	0.691	78%	0.777	S	S	*	*			trans	-112.9	109.4	-169.7	179.3	0	0	0	0	111.1	I200	V198-I200 HydrophobicContact CG1-CG1 4.21Å
199	I	29.7	Very low	29.2	Very low	153 Å²	153	153.3 Å²	153.3	79%	0.785	78%	0.784	S	S	*	*			trans	-93.8	104.7	172.9	-60.3	-179.5	0	0	0	110.1
200	I	30	Very low	29.2	Very low	144 Å²	144	152.5 Å²	152.5	74%	0.738	79%	0.785	S	S	*	*			trans	-77.4	128.4	174.2	-58	174.5	0	0	0	109.8	V198	V198-I200 HydrophobicContact CG1-CG1 4.21Å
201	K	31.7	Very low	29	Very low	187 Å²	187	154.7 Å²	154.7	81%	0.813	79%	0.786	S	S	*	*			trans	-111.3	126.6	162.3	-76.8	-174.1	175.1	179.2	0	110.1
202	K	29.9	Very low	29.1	Very low	205 Å²	205	158.4 Å²	158.4	89%	0.891	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.9	132.8	-178.5	-64	178.9	-178.2	-179.3	0	110.4
203	I	33.4	Very low	29.4	Very low	169 Å²	169	158.4 Å²	158.4	87%	0.867	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-81.9	135.6	161.8	-61.6	174.4	0	0	0	107.3
204	K	27.8	Very low	29.5	Very low	176 Å²	176	156 Å²	156	77%	0.765	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-90.9	132	175.9	-169.1	-169.7	170.1	-158.6	0	108.7
205	Q	29.9	Very low	29.5	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.7	146.1	167.9	-70.5	171	-65.2	0	0	110
206	E	26.4	Very low	29.7	Very low	176 Å²	176	156.2 Å²	156.2	82%	0.822	78%	0.781	S	S	*	*			trans	-128.2	147.4	167	-158.8	143	-110.1	0	0	107.5
207	I	27.8	Very low	29.8	Very low	146 Å²	146	154 Å²	154	75%	0.749	78%	0.782	S	S	*	*			trans	-120.1	144	-163.7	-60.3	172.9	0	0	0	107.3
208	P	36.9	Very low	29.9	Very low	93 Å²	93	155 Å²	155	60%	0.604	78%	0.782	S	S	*	*			trans	-78	-174.8	177.7	32	-32.3	0	0	0	112.8
209	E	29.2	Very low	29.9	Very low	162 Å²	162	157.8 Å²	157.8	76%	0.757	79%	0.792	S	S	*	*			trans	74.7	158	-173.7	-65.1	85.2	-108.2	0	0	117.3
210	D	27.3	Very low	29.9	Very low	148 Å²	148	157.7 Å²	157.7	79%	0.791	80%	0.799	S	S	*	*			trans	63.6	136.5	-173.8	-67.4	-16.1	0	0	0	117.2
211	Y	26.1	Very low	29.8	Very low	197 Å²	197	154.4 Å²	154.4	77%	0.773	80%	0.8	S	S	*	*			cis	-151.4	158.5	1.8	-152.3	-114	0	0	0	111.6
212	Y	29.1	Very low	29.6	Very low	208 Å²	208	149.5 Å²	149.5	82%	0.816	80%	0.803	S	S	*	*			trans	-76.3	144.5	169.7	-85.2	-107.8	0	0	0	111.7
213	I	32.8	Very low	29.5	Very low	152 Å²	152	146.5 Å²	146.5	78%	0.779	80%	0.802	S	S	*	*			trans	-156.8	139.6	147.5	-98.5	138.8	0	0	0	109.4
214	V	30.6	Very low	29.5	Very low	144 Å²	144	146.6 Å²	146.6	87%	0.873	80%	0.804	S	S	*	*			trans	-128.8	123.9	170.3	174.2	0	0	0	0	108.3
215	A	28.1	Very low	29.3	Very low	75 Å²	75	141 Å²	141	62%	0.62	80%	0.795	S	S	*	*			trans	-160.9	135.9	176.6	0	0	0	0	0	107.8
216	N	32.3	Very low	29.9	Very low	144 Å²	144	138.3 Å²	138.3	77%	0.77	79%	0.794	S	S	*	*			cis	-131.5	156.3	-0.8	-76.6	-41.5	0	0	0	110.7
217	A	28.3	Very low	29.9	Very low	99 Å²	99	134.2 Å²	134.2	82%	0.818	79%	0.79	S	S	*	*			trans	-114.1	129.3	151.3	0	0	0	0	0	107.4
218	E	29.4	Very low	29.8	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	80%	0.798	S	S	*	*			trans	-105.5	133.3	175.2	-70.6	-168.9	143.9	0	0	110.6
219	L	31.3	Very low	29.2	Very low	171 Å²	171	136.5 Å²	136.5	90%	0.895	81%	0.807	S	S	*	*			trans	-90.3	132.5	-172.2	-75.9	153.5	0	0	0	111.1	G221	L219-G221 PolarHBondContact O-N 2.93Å
220	T	30.4	Very low	28.9	Very low	152 Å²	152	136.4 Å²	136.4	93%	0.933	81%	0.81	S	S	*	*			trans	-72.6	107.6	165.4	50.5	0	0	0	0	110
221	G	27.7	Very low	28.9	Very low	75 Å²	75	134 Å²	134	77%	0.773	80%	0.801	S	S	*	*			trans	-154.6	68.6	-178.9	0	0	0	0	0	112.8	L219	L219-G221 PolarHBondContact O-N 2.93Å
222	G	26.6	Very low	29	Very low	84 Å²	84	132.2 Å²	132.2	87%	0.866	80%	0.8	S	S	*	*			trans	-95.7	111.2	177.9	0	0	0	0	0	112.6
223	V	29.3	Very low	28.8	Very low	142 Å²	142	129.9 Å²	129.9	86%	0.861	80%	0.798	S	S	*	*			trans	-123.9	126.9	161.8	174.5	0	0	0	0	106.3
224	D	31.5	Very low	28.5	Very low	171 Å²	171	126.8 Å²	126.8	91%	0.914	80%	0.795	S	S	*	*			trans	-158.3	155.8	164.6	-137.1	-22.8	0	0	0	114.4
225	G	24.7	Very low	28.4	Very low	57 Å²	57	128.8 Å²	128.8	59%	0.588	79%	0.793	S	S	*	*			trans	153.6	154.7	172.1	0	0	0	0	0	112.7
226	P	42	Very low	29	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	80%	0.802	S	S	*	*			cis	-122.6	163.6	9.1	40.6	-28.4	0	0	0	115.3
227	A	26.2	Very low	28.9	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	80%	0.795	S	S	*	*			trans	48.7	127.3	145.6	0	0	0	0	0	121.2
228	L	25.5	Very low	28.8	Very low	175 Å²	175	134.1 Å²	134.1	92%	0.916	80%	0.796	S	S	*	*				-161.3	164.1	100.6	-99.8	168.9	0	0	0	111.2
229	S	24.7	Very low	28.8	Very low	113 Å²	113	131 Å²	131	79%	0.79	78%	0.781	S	S	*	*			trans	-87.8	164.6	-177.8	-46.1	0	0	0	0	112.7
230	L	23.3	Very low	28.8	Very low	159 Å²	159	126.9 Å²	126.9	83%	0.832	76%	0.763	S	S	*	*				168.2	117.4	122	-162.7	60.5	0	0	0	114.4
231	T	26.3	Very low	28.7	Very low	99 Å²	99	128 Å²	128	61%	0.607	76%	0.758	S	S	*	*			trans	69.3	103.4	139.3	-60.6	0	0	0	0	124.9
232	Q	28.7	Very low	28.8	Very low	158 Å²	158	128.8 Å²	128.8	74%	0.738	76%	0.757	S	S	*	*				73.3	160.9	124.4	-61.1	178.7	1.9	0	0	125.7
233	M	26	Very low	28.7	Very low	159 Å²	159	128.2 Å²	128.2	78%	0.783	75%	0.751	S	S	*	*			trans	91.5	82.6	156.1	-60.3	-50.2	-174.9	0	0	123.1
234	A	26.2	Very low	29.6	Very low	87 Å²	87	127.9 Å²	127.9	72%	0.719	75%	0.752	S	S	*	*				38.2	120	118.7	0	0	0	0	0	124.2
235	K	29.1	Very low	29.5	Very low	187 Å²	187	124.6 Å²	124.6	81%	0.813	74%	0.742	S	S	*	*				32.6	143.3	109	-92.3	171	-177.6	164.1	0	120.1
236	P	39.2	Very low	30	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	75%	0.752	S	S	*	*				-152.3	119.7	71.9	37.7	-16.6	0	0	0	120.7
237	K	31.6	Very low	29.6	Very low	146 Å²	146	128.6 Å²	128.6	64%	0.635	76%	0.756	S	S	*	*				26.9	130.3	123.2	-153.4	-166.2	-163	-165.5	0	123.7
238	L	24.5	Very low	29.8	Very low	159 Å²	159	127.8 Å²	127.8	83%	0.832	76%	0.756	S	S	*	*				-150.4	158	128.7	-130.9	66.3	0	0	0	108.6
239	Q	31	Very low	30.3	Very low	119 Å²	119	125.2 Å²	125.2	56%	0.556	75%	0.753	S	S	*	*			cis	84.9	139.4	9	-105.1	-167.7	-102.3	0	0	116.9
240	T	29.8	Very low	30.5	Very low	84 Å²	84	124 Å²	124	52%	0.515	75%	0.75	S	S	.	*			cis	-158.5	170.4	4	-29.3	0	0	0	0	113.3
241	H	29.3	Very low	31.3	Very low	176 Å²	176	125.3 Å²	125.3	82%	0.815	75%	0.749	S	S	*	*			trans	82.6	145.8	160.1	-58.3	-57.4	0	0	0	118.6
242	A	28.6	Very low	31.6	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	75%	0.752	S	S	*	*			cis	-159.1	170.9	-12.9	0	0	0	0	0	112.2
243	G	25	Very low	31.7	Very low	71 Å²	71	126.2 Å²	126.2	73%	0.732	75%	0.753	S	S	*	*			trans	-87.3	-161.4	170.2	0	0	0	0	0	113.8
244	P	47.8	Very low	32.9	Very low	136 Å²	136	123.2 Å²	123.2	88%	0.883	75%	0.745	S	S	*	*			cis	-137.6	-157	46.5	42	-23.5	0	0	0	115.3
245	S	30.7	Very low	33.2	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	75%	0.748	S	S	*	*			trans	-160.4	-177.7	-161.4	57.1	0	0	0	0	114.7
246	C	33.7	Very low	33.2	Very low	118 Å²	118	123.9 Å²	123.9	80%	0.797	74%	0.744	S	S	*	*			trans	76.2	168	166.9	-54.7	0	0	0	0	116
247	V	33.8	Very low	32.8	Very low	147 Å²	147	123.9 Å²	123.9	89%	0.891	74%	0.741	S	S	*	*			cis	-139.5	151.5	14.4	178.7	0	0	0	0	108.5
248	G	30.1	Very low	32.7	Very low	72 Å²	72	122.3 Å²	122.3	74%	0.742	75%	0.749	S	S	*	*			cis	-161.1	-143.6	2.2	0	0	0	0	0	107.8
249	S	37.3	Very low	33.1	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	74%	0.743	S	S	*	*			cis	-168.6	172.4	-11.4	-144.7	0	0	0	0	106.4
250	A	29	Very low	33.3	Very low	87 Å²	87	120.3 Å²	120.3	72%	0.719	75%	0.753	S	S	*	*			cis	-144.1	-108.4	6.5	0	0	0	0	0	112.9
251	K	38.8	Very low	33.2	Very low	187 Å²	187	121.8 Å²	121.8	81%	0.813	77%	0.767	S	S	*	*			trans	-162	169.5	-161	-89.9	174.1	172	-178.5	0	111.2
252	L	32.6	Very low	33.3	Very low	129 Å²	129	118.3 Å²	118.3	68%	0.675	77%	0.769	S	S	*	*			cis	-151.6	134.1	5.1	-117.9	142.5	0	0	0	108
253	I	31.6	Very low	33.4	Very low	147 Å²	147	122.6 Å²	122.6	75%	0.754	77%	0.773	S	S	*	*				33.3	154.8	93.5	6	164.4	0	0	0	117.5
254	P	51.6	Low	33.7	Very low	95 Å²	95	127.6 Å²	127.6	62%	0.617	78%	0.782	S	S	*	*			cis	-122.4	-149	5.9	44.4	-27.3	0	0	0	113.9
255	H	32.3	Very low	32.8	Very low	170 Å²	170	127.9 Å²	127.9	79%	0.787	78%	0.776	S	S	*	*			cis	-164.8	170.5	6.5	-113.4	-29.3	0	0	0	107.8
256	V	30	Very low	33.8	Very low	119 Å²	119	126.9 Å²	126.9	72%	0.721	77%	0.767	S	S	*	*			cis	-164	-173.1	-17.4	81.9	0	0	0	0	111.1
257	T	30.3	Very low	33.6	Very low	124 Å²	124	128.7 Å²	128.7	76%	0.761	76%	0.764	S	S	*	*			trans	-78	-177	-177	3.3	0	0	0	0	116
258	S	29.7	Very low	33.3	Very low	114 Å²	114	128 Å²	128	80%	0.797	75%	0.753	S	S	*	*			cis	-162.4	-166.1	25.7	-149.8	0	0	0	0	115.9
259	A	32.1	Very low	33.2	Very low	85 Å²	85	133.1 Å²	133.1	70%	0.702	76%	0.76	S	S	*	*			trans	-83.3	-158.1	-177.1	0	0	0	0	0	115.5
260	I	35.1	Very low	32.7	Very low	150 Å²	150	132.3 Å²	132.3	77%	0.769	76%	0.755	S	S	*	*			cis	-170.2	160.1	40.2	-11.2	173.4	0	0	0	113.9
261	S	28.1	Very low	32.7	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	76%	0.757	S	S	*	*			trans	64.6	164.7	152.1	-55.5	0	0	0	0	120.6
262	A	30.8	Very low	32.2	Very low	104 Å²	104	129 Å²	129	86%	0.86	76%	0.756	S	S	*	*			cis	-148.1	-175.5	11.6	0	0	0	0	0	114.4
263	E	31.9	Very low	32.8	Very low	181 Å²	181	128.3 Å²	128.3	85%	0.846	76%	0.759	S	S	*	*			trans	-92.5	163.8	-173.4	-53	173.4	110.5	0	0	116.2
264	L	31.3	Very low	32.6	Very low	177 Å²	177	126.3 Å²	126.3	93%	0.927	76%	0.758	S	S	*	*				174.2	160.7	121.6	-93.2	161.5	0	0	0	114.4
265	D	27.5	Very low	31.5	Very low	142 Å²	142	127.8 Å²	127.8	76%	0.759	77%	0.765	S	S	*	*			trans	-141.5	-179.4	-177.9	-159.8	29.8	0	0	0	107.2
266	P	52.8	Low	31.3	Very low	81 Å²	81	127 Å²	127	53%	0.526	77%	0.765	S	S	.	*			cis	-129.8	-177.6	-14.5	20	6.1	0	0	0	115.4
267	H	29.3	Very low	31.2	Very low	155 Å²	155	125.9 Å²	125.9	72%	0.718	76%	0.762	S	S	*	*				140.1	125	129.5	-77.9	-63.6	0	0	0	119.7
268	I	28.3	Very low	31.1	Very low	132 Å²	132	131.4 Å²	131.4	68%	0.677	77%	0.769	S	S	*	*				72.9	111.7	129	-65.2	172.2	0	0	0	122
269	M	27.8	Very low	31.9	Very low	180 Å²	180	130.8 Å²	130.8	89%	0.887	76%	0.763	S	S	*	*			trans	63.2	161.5	141.8	-75.5	-170.4	171.4	0	0	120.9
270	S	26.9	Very low	31.6	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	76%	0.764	S	S	*	*			cis	-167	175.6	-19.8	179.7	0	0	0	0	109.5
271	A	28.2	Very low	31.4	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	76%	0.763	S	S	*	*			trans	78.8	126.3	157	0	0	0	0	0	121.4
272	S	28.8	Very low	32.2	Very low	112 Å²	112	133 Å²	133	78%	0.783	76%	0.758	S	S	*	*			trans	-89.3	178.6	146.3	-45.4	0	0	0	0	108.5
273	P	43.7	Very low	32.1	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	76%	0.757	S	S	*	*			cis	-152.8	-176.7	21.8	44.2	-21.7	0	0	0	119.5
274	S	27.5	Very low	31.9	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	76%	0.757	S	S	*	*			trans	76.8	112.7	135.9	-77.8	0	0	0	0	125.9
275	V	28.5	Very low	31.6	Very low	127 Å²	127	131.2 Å²	131.2	77%	0.77	75%	0.75	S	S	*	*			trans	71.8	150.6	139.1	-109.7	0	0	0	0	126
276	I	29.6	Very low	31.6	Very low	153 Å²	153	136.6 Å²	136.6	79%	0.785	76%	0.76	S	S	*	*			trans	81	141.5	152.7	-72.4	157.6	0	0	0	119.2
277	S	27.3	Very low	30.4	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	77%	0.771	S	S	*	*			cis	-174.5	127.8	-31.6	-88.4	0	0	0	0	113.8
278	R	28.4	Very low	30.2	Very low	240 Å²	240	136.5 Å²	136.5	91%	0.906	77%	0.773	S	S	*	*			trans	58.7	-178.2	144.2	-92.2	-178.8	-178.7	-172.2	1.6	120
279	P	45.5	Very low	30.2	Very low	101 Å²	101	137.9 Å²	137.9	66%	0.656	78%	0.781	S	S	*	*			cis	-136	-163.6	-21.7	27	-1.4	0	0	0	115.8
280	I	26.8	Very low	30.1	Very low	144 Å²	144	133.9 Å²	133.9	74%	0.738	78%	0.776	S	S	*	*			trans	95.7	121.2	157.2	-56.5	175.4	0	0	0	116.8
281	I	30.1	Very low	30.3	Very low	145 Å²	145	134.2 Å²	134.2	74%	0.744	78%	0.778	S	S	*	*			cis	101.4	148.4	26	-67.3	165.4	0	0	0	112.3
282	P	44.3	Very low	31.1	Very low	108 Å²	108	136.1 Å²	136.1	70%	0.701	78%	0.783	S	S	*	*			cis	-134.7	177.3	2	37.2	-16.3	0	0	0	119.5
283	K	30.3	Very low	31.2	Very low	191 Å²	191	138.2 Å²	138.2	83%	0.83	79%	0.785	S	S	*	*			trans	17.1	161	138.3	-53.7	179.4	176.3	177.8	0	122
284	T	27	Very low	30.5	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	79%	0.794	S	S	*	*			cis	-165.5	176.6	38.2	-31.6	0	0	0	0	113
285	A	26	Very low	30.4	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	79%	0.792	S	S	*	*			trans	-109.7	174.2	-171.4	0	0	0	0	0	116.6
286	R	27.3	Very low	31.9	Very low	254 Å²	254	142.7 Å²	142.7	96%	0.958	80%	0.795	S	S	*	*			trans	-158.8	171.6	160.2	-124	178.7	-171.4	175.9	3.5	115.4
287	V	27	Very low	33	Very low	128 Å²	128	141.5 Å²	141.5	78%	0.776	80%	0.798	S	S	*	*			trans	-130.6	149.9	-171.4	170.5	0	0	0	0	109.9
288	S	24.2	Very low	33.2	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	80%	0.799	S	S	*	*			trans	175.1	126.8	141.1	-80.7	0	0	0	0	117.3
289	L	28.8	Very low	33.4	Very low	162 Å²	162	133 Å²	133	85%	0.848	79%	0.792	S	S	*	*				28.9	127.9	127.5	-72.1	148.9	0	0	0	124.2
290	A	25.5	Very low	33	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	80%	0.803	S	S	*	*				72.4	148.7	127.2	0	0	0	0	0	123.4
291	S	31.1	Very low	33.1	Very low	112 Å²	112	134 Å²	134	78%	0.783	80%	0.802	S	S	*	*			trans	-87.3	165.2	-178.6	-36.4	0	0	0	0	114.6
292	P	45.3	Very low	33.2	Very low	134 Å²	134	134 Å²	134	87%	0.87	81%	0.809	S	S	*	*			trans	-132.7	-161.7	131.4	38.5	-27.5	0	0	0	113.4
293	N	30.3	Very low	32.5	Very low	156 Å²	156	133 Å²	133	83%	0.834	81%	0.81	S	S	*	*			trans	-140.7	167.2	-151.9	-156.7	-20.5	0	0	0	113.3
294	R	30	Very low	32.5	Very low	241 Å²	241	131.5 Å²	131.5	91%	0.909	81%	0.806	S	S	*	*			trans	81.3	135.2	170.5	-62	-177.8	168.9	-175.9	-3.5	121.2
295	G	25.3	Very low	32.6	Very low	67 Å²	67	133 Å²	133	69%	0.691	80%	0.803	S	S	*	*			trans	-110.6	-132.8	154.5	0	0	0	0	0	110.1
296	P	59.1	Low	32.6	Very low	130 Å²	130	134.8 Å²	134.8	84%	0.844	80%	0.804	S	S	*	*			cis	-105.2	-121.3	-9	42.2	-28.2	0	0	0	109.4
297	P	54.3	Low	32.5	Very low	128 Å²	128	128.6 Å²	128.6	83%	0.831	80%	0.795	S	S	*	*			cis	-107.6	-168.1	-7.2	43.2	-31.1	0	0	0	112.7
298	G	30.3	Very low	32.4	Very low	68 Å²	68	130 Å²	130	70%	0.701	79%	0.794	S	S	*	*			cis	154.2	166	-12.3	0	0	0	0	0	114.2
299	A	33.4	Very low	32.4	Very low	91 Å²	91	133 Å²	133	75%	0.752	80%	0.797	S	S	*	*			trans	67.4	137.6	173.4	0	0	0	0	0	119.7
300	H	36.3	Very low	32.6	Very low	195 Å²	195	134 Å²	134	90%	0.903	80%	0.799	S	S	*	*			cis	-162.3	147.7	-13.1	-110.5	-50.9	0	0	0	113.1
301	G	30	Very low	33	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	80%	0.797	S	S	*	*			trans	104.9	138.2	165.6	0	0	0	0	0	115.7
302	T	30.8	Very low	32.7	Very low	146 Å²	146	135.5 Å²	135.5	90%	0.896	80%	0.796	S	S	*	*			cis	-153.1	146.4	-0.1	26.5	0	0	0	0	113.7
303	A	29.5	Very low	31.7	Very low	87 Å²	87	134.2 Å²	134.2	72%	0.719	79%	0.79	S	S	*	*			trans	67.3	111.7	151.2	0	0	0	0	0	124.2
304	H	30.4	Very low	31.4	Very low	160 Å²	160	132.5 Å²	132.5	74%	0.741	79%	0.786	S	S	*	*			trans	45.8	120.3	139.7	-60.3	-73.2	0	0	0	122.1
305	Q	28.5	Very low	31.2	Very low	170 Å²	170	125.2 Å²	125.2	79%	0.794	77%	0.771	S	S	*	*				75	143.6	69	-73	-178.1	-29.6	0	0	114
306	V	26.4	Very low	31.2	Very low	131 Å²	131	130.7 Å²	130.7	79%	0.794	78%	0.779	S	S	*	*			cis	-139.5	159.5	28.3	174.6	0	0	0	0	112.5
307	T	26	Very low	30.3	Very low	124 Å²	124	130 Å²	130	76%	0.761	77%	0.774	S	S	*	*			trans	-121.9	142.3	167.7	-51	0	0	0	0	110.2
308	M	25.7	Very low	28.9	Very low	157 Å²	157	130.9 Å²	130.9	77%	0.773	77%	0.772	S	S	*	*			trans	-175.6	140.5	144	-98.2	-39.7	169.7	0	0	115.8
309	Q	23.3	Very low	28.9	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	78%	0.782	S	S	*	*			trans	36.8	148	141.6	-72.2	171.2	-26.8	0	0	125.6
310	M	33.2	Very low	28.6	Very low	182 Å²	182	141.4 Å²	141.4	90%	0.897	78%	0.784	S	S	*	*			trans	-63	158.8	164.6	-65.3	-81.6	-166.6	0	0	113.2
311	P	34.6	Very low	28.2	Very low	115 Å²	115	139.3 Å²	139.3	75%	0.747	78%	0.778	S	S	*	*				-151.5	142.9	121	37.3	-20	0	0	0	118.6
312	V	23.9	Very low	28	Very low	124 Å²	124	140.4 Å²	140.4	75%	0.752	78%	0.775	S	S	*	*				61.3	108.6	123.8	-177.8	0	0	0	0	122.3
313	S	24.4	Very low	28.2	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	77%	0.77	S	S	*	*				59	173.6	125.7	-45.3	0	0	0	0	121
314	T	24	Very low	28.4	Very low	121 Å²	121	142.1 Å²	142.1	74%	0.742	77%	0.771	S	S	*	*			cis	-155.8	151.2	11.5	-26.7	0	0	0	0	112.6
315	S	25.7	Very low	28.5	Very low	87 Å²	87	142.4 Å²	142.4	61%	0.608	78%	0.777	S	S	*	*			trans	44.1	117.1	146.7	61.7	0	0	0	0	123.7
316	H	25.5	Very low	28.5	Very low	183 Å²	183	140.1 Å²	140.1	85%	0.847	78%	0.78	S	S	*	*				59.8	166.6	124.1	-64.9	-52.5	0	0	0	122
317	P	39.8	Very low	28.5	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	78%	0.777	S	S	*	*			cis	-132.1	-179.4	-26.2	37	-19.1	0	0	0	114.4
318	N	26.3	Very low	28.5	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	78%	0.781	S	S	*	*			trans	55.6	107.7	146.1	-132.1	-1.2	0	0	0	120.7
319	K	29.7	Very low	28.6	Very low	211 Å²	211	140.8 Å²	140.8	92%	0.917	78%	0.783	S	S	*	*				-163.2	149.9	121.3	-108.2	163.5	-171.3	177.4	0	113.5
320	Q	27.2	Very low	29.2	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	79%	0.786	S	S	*	*			trans	-102.3	156.8	-174.1	-172.3	-176.9	15.1	0	0	109.5
321	I	27.5	Very low	29.1	Very low	151 Å²	151	138 Å²	138	77%	0.774	78%	0.783	S	S	*	*				158.8	148.7	127.4	-79.5	159.6	0	0	0	113
322	S	25	Very low	28.8	Very low	92 Å²	92	136.3 Å²	136.3	64%	0.643	79%	0.787	S	S	*	*			trans	-31.1	144.5	-178.9	57.9	0	0	0	0	119.7
323	I	35.7	Very low	29	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	79%	0.788	S	S	*	*				46.4	118.7	80.1	-68.7	177.3	0	0	0	111.4
324	P	32.9	Very low	29.2	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	79%	0.792	S	S	*	*				-145.3	168.3	78.1	40.4	-23.3	0	0	0	117.8
325	L	34.6	Very low	29.4	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	79%	0.788	S	S	*	*			trans	-71.9	153.8	159	-81.9	73.1	0	0	0	110.2
326	S	27.7	Very low	29.5	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	80%	0.797	S	S	*	*			trans	-133.6	146	153.4	-72.5	0	0	0	0	109.3
327	A	26.5	Very low	29.6	Very low	89 Å²	89	142.2 Å²	142.2	74%	0.736	79%	0.79	S	S	*	*			trans	-111.3	177	-178.6	0	0	0	0	0	111.1
328	L	26.5	Very low	28.8	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	80%	0.797	S	S	*	*			trans	69.1	114.4	171.8	-50.3	170.9	0	0	0	115.5
329	Q	27.2	Very low	28.9	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.822	79%	0.792	S	S	*	*				-165.4	142.5	105.3	-153.8	64.6	-5.8	0	0	111
330	L	36.1	Very low	28.8	Very low	162 Å²	162	141 Å²	141	85%	0.848	79%	0.793	S	S	*	*			trans	-107.4	153.4	166.3	-70	170.1	0	0	0	109.6
331	P	30.3	Very low	28.8	Very low	131 Å²	131	141 Å²	141	85%	0.851	79%	0.793	S	S	*	*			trans	-121.2	140.6	157	35.8	-24.9	0	0	0	112.4
332	G	28.6	Very low	28.7	Very low	80 Å²	80	143.2 Å²	143.2	83%	0.825	80%	0.798	S	S	*	*			trans	130	74.7	167.2	0	0	0	0	0	115.9
333	Q	28.8	Very low	28.7	Very low	167 Å²	167	146.4 Å²	146.4	78%	0.78	81%	0.806	S	S	*	*			trans	-81.2	166.1	150.9	-63.4	-179.5	-104.6	0	0	107.2
334	D	27.6	Very low	29	Very low	154 Å²	154	143.6 Å²	143.6	82%	0.824	80%	0.798	S	S	*	*				-146.1	177	57.6	-80.8	-41.9	0	0	0	115.4
335	E	29.6	Very low	28.6	Very low	142 Å²	142	146.3 Å²	146.3	66%	0.664	80%	0.801	S	S	*	*			trans	-81	-171.4	-171.6	-43.1	-169.8	120.2	0	0	112.1
336	Q	27.1	Very low	28.1	Very low	168 Å²	168	145.8 Å²	145.8	79%	0.785	80%	0.798	S	S	*	*			cis	-159	165.5	27.7	-149.8	163.4	63.2	0	0	116
337	V	27.1	Very low	28.8	Very low	116 Å²	116	145.3 Å²	145.3	70%	0.703	79%	0.792	S	S	*	*			trans	-73.7	144.1	-172.3	176.1	0	0	0	0	113.9
338	V	22.4	Very low	28.7	Very low	146 Å²	146	146.5 Å²	146.5	89%	0.885	80%	0.795	S	S	*	*			trans	-140.2	143.2	140.2	178.6	0	0	0	0	108.7
339	S	28.8	Very low	28.7	Very low	98 Å²	98	148 Å²	148	69%	0.685	80%	0.797	S	S	*	*			trans	-127.5	141.9	169.6	-57.1	0	0	0	0	109
340	E	27.3	Very low	28.6	Very low	202 Å²	202	146.6 Å²	146.6	94%	0.944	80%	0.801	S	S	*	*			trans	-166.5	178.6	137.1	-119.5	179.1	179.8	0	0	113.5
341	E	28.3	Very low	28.1	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	80%	0.8	S	S	*	*			trans	-103.4	162.7	-166.1	-176.8	172.6	-171.6	0	0	112.1
342	F	24.9	Very low	27.8	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.873	79%	0.791	S	S	*	*			trans	158.9	145	138.5	-98.6	-82.3	0	0	0	113.9
343	L	25.4	Very low	27.8	Very low	158 Å²	158	144.6 Å²	144.6	83%	0.827	79%	0.789	S	S	*	*			trans	-110.2	174.3	161.9	-74.9	168.3	0	0	0	108.5
344	P	42.4	Very low	27.8	Very low	96 Å²	96	144.6 Å²	144.6	62%	0.623	79%	0.789	S	S	*	*			cis	-122.5	-164.8	-9.9	40.4	-24.9	0	0	0	111.7
345	H	24.3	Very low	28.1	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.796	79%	0.785	S	S	*	*				174.4	143.4	124.3	-98.1	-73.6	0	0	0	115.3
346	L	23.9	Very low	28	Very low	154 Å²	154	140 Å²	140	81%	0.806	78%	0.784	S	S	*	*			trans	-119.3	178.5	154.6	-119	78.5	0	0	0	106.2
347	P	42.6	Very low	28	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	79%	0.788	S	S	*	*			cis	-137.3	173.6	-11.3	41.1	-25.2	0	0	0	115.5
348	S	24	Very low	27.9	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	79%	0.792	S	S	*	*			trans	-176.3	133.3	140.7	50.4	0	0	0	0	109.5
349	Q	26.4	Very low	29.1	Very low	192 Å²	192	138.1 Å²	138.1	90%	0.897	79%	0.785	S	S	*	*				81.5	128.3	51.2	-102.1	-158.6	3.3	0	0	116.4
350	V	24.8	Very low	29	Very low	147 Å²	147	138.3 Å²	138.3	89%	0.891	79%	0.787	S	S	*	*			trans	144.8	132.1	163.2	154.5	0	0	0	0	107.9
351	S	24.7	Very low	29	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	78%	0.776	S	S	*	*			cis	-155.8	170.9	-19.6	-172.3	0	0	0	0	109.4
352	S	25.6	Very low	28.8	Very low	96 Å²	96	133 Å²	133	67%	0.671	78%	0.775	S	S	*	*			trans	-107.4	161.4	-176.6	-172.2	0	0	0	0	113.6
353	C	27	Very low	28.8	Very low	116 Å²	116	130.1 Å²	130.1	78%	0.784	77%	0.773	S	S	*	*			trans	-167.3	125.6	137.3	-88.2	0	0	0	0	107.2
354	E	30	Very low	28.9	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	77%	0.772	S	S	*	*				73.7	144.2	61.6	-68.4	-144.3	133.2	0	0	113.5
355	V	32.3	Very low	28.6	Very low	119 Å²	119	132.1 Å²	132.1	72%	0.721	78%	0.781	S	S	*	*			cis	-161.3	162	7.2	110.8	0	0	0	0	107.8
356	A	28.4	Very low	28.7	Very low	80 Å²	80	132 Å²	132	66%	0.661	78%	0.781	S	S	*	*			cis	-176.9	-148.5	-28.1	0	0	0	0	0	108.6
357	L	27.2	Very low	28.8	Very low	165 Å²	165	131 Å²	131	86%	0.864	78%	0.781	S	S	*	*			trans	91.2	149.8	164.6	-53.8	-179	0	0	0	121
358	S	25.2	Very low	28.1	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	78%	0.78	S	S	*	*			trans	-160.6	-166.9	-177.2	-43.4	0	0	0	0	107
359	P	47.8	Very low	28.2	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	78%	0.775	S	S	*	*			cis	-136.7	-158.9	-14.4	28.5	-2.3	0	0	0	113.2
360	S	25.4	Very low	28.4	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	76%	0.761	S	S	*	*			trans	103.6	121.4	137.5	-67.5	0	0	0	0	124.5
361	V	28.5	Very low	28.7	Very low	120 Å²	120	125.7 Å²	125.7	73%	0.727	76%	0.755	S	S	*	*				92.9	113.3	128.7	171.3	0	0	0	0	122.9
362	N	23.6	Very low	28.9	Very low	140 Å²	140	128 Å²	128	75%	0.749	75%	0.753	S	S	*	*			trans	45.7	141.8	142.3	-56.7	-0.8	0	0	0	124.8
363	T	25.8	Very low	28.8	Very low	138 Å²	138	131.8 Å²	131.8	85%	0.847	76%	0.76	S	S	*	*				148	143.4	108.9	-41.5	0	0	0	0	112.8
364	E	26.6	Very low	29.2	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.804	76%	0.757	S	S	*	*			trans	-74.1	171.7	172.3	-115.4	175.9	160.1	0	0	112.8
365	P	37	Very low	29.5	Very low	123 Å²	123	129.3 Å²	129.3	80%	0.799	76%	0.757	S	S	*	*				-151.4	-168.6	55.1	42.6	-20	0	0	0	118
366	E	26.3	Very low	29.3	Very low	171 Å²	171	131.5 Å²	131.5	80%	0.799	76%	0.763	S	S	*	*			trans	-67.8	171.3	178.4	-52.8	177.2	76.7	0	0	116.2
367	V	26.4	Very low	29.3	Very low	133 Å²	133	131.8 Å²	131.8	81%	0.806	77%	0.765	S	S	*	*				177.4	116.7	110.4	153.3	0	0	0	0	113.9
368	S	26.5	Very low	29.9	Very low	101 Å²	101	129 Å²	129	71%	0.706	76%	0.757	S	S	*	*			trans	49.4	151.5	137.2	-157.6	0	0	0	0	125.8
369	S	26.9	Very low	29.9	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	76%	0.758	S	S	*	*			trans	87.5	145.8	150.9	-72.4	0	0	0	0	121.2
370	S	31	Very low	29	Very low	86 Å²	86	131.9 Å²	131.9	60%	0.601	76%	0.761	S	S	*	*			cis	-170.4	142.3	-17.3	-103.3	0	0	0	0	112.5
371	Q	30.2	Very low	29.3	Very low	165 Å²	165	132.9 Å²	132.9	77%	0.771	76%	0.762	S	S	*	*			trans	65.8	162.2	155.8	-60.1	178.3	27.4	0	0	117.1
372	Q	29.1	Very low	29.3	Very low	168 Å²	168	133.8 Å²	133.8	79%	0.785	77%	0.768	S	S	*	*			cis	-152.1	155.5	13.9	-143.6	161	68	0	0	112
373	Q	24.2	Very low	29.6	Very low	175 Å²	175	136 Å²	136	82%	0.818	77%	0.774	S	S	*	*			trans	-88.7	179.5	165.9	-106.6	179.9	-17.3	0	0	110.2
374	P	34.1	Very low	29.8	Very low	111 Å²	111	134.3 Å²	134.3	72%	0.721	77%	0.774	S	S	*	*			cis	-144.9	-145	25.8	44.9	-22.4	0	0	0	113
375	P	37.2	Very low	30.3	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	78%	0.777	S	S	*	*			cis	-119.7	-169.7	-35	27.2	-5.4	0	0	0	113.7
376	I	27.2	Very low	30	Very low	165 Å²	165	131.6 Å²	131.6	85%	0.846	78%	0.778	S	S	*	*			trans	-130.4	158.4	-178.7	-66.5	164.4	0	0	0	109.9
377	A	29.3	Very low	30.5	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	78%	0.783	S	S	*	*			trans	143.2	167.2	141.8	0	0	0	0	0	114.5
378	P	40.2	Very low	30.6	Very low	107 Å²	107	132.1 Å²	132.1	70%	0.695	78%	0.783	S	S	*	*				-143	173.2	-56.1	40.8	-25.2	0	0	0	116.1
379	T	24.5	Very low	31.3	Very low	129 Å²	129	134.2 Å²	134.2	79%	0.791	79%	0.785	S	S	*	*			trans	66.7	167.2	158.7	24.1	0	0	0	0	117.5
380	I	30	Very low	31.6	Very low	158 Å²	158	134.5 Å²	134.5	81%	0.81	79%	0.785	S	S	*	*			cis	-132.8	157	11.5	-53.4	165.7	0	0	0	111
381	T	30.1	Very low	32.1	Very low	123 Å²	123	136.2 Å²	136.2	76%	0.755	79%	0.787	S	S	*	*			trans	-81.7	146.7	174.6	-24.6	0	0	0	0	114.7
382	T	29	Very low	33	Very low	139 Å²	139	136.3 Å²	136.3	85%	0.853	79%	0.787	S	S	*	*			trans	-156.5	137.2	148.9	-34.7	0	0	0	0	111.3
383	E	30.6	Very low	34.1	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	78%	0.783	S	S	*	*			trans	-96.4	148	167.6	-68.3	-179	109.3	0	0	110.8
384	A	29.4	Very low	35	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	77%	0.773	S	S	*	*			trans	-144.6	124.1	164.6	0	0	0	0	0	109.8
385	T	37.3	Very low	35.5	Very low	142 Å²	142	136.2 Å²	136.2	87%	0.871	77%	0.773	S	S	*	*			trans	-82	125.3	-178.1	-49.2	0	0	0	0	111.3
386	A	30.5	Very low	35.9	Very low	97 Å²	97	133 Å²	133	80%	0.802	76%	0.757	S	S	*	*			trans	-132.8	118.4	164.7	0	0	0	0	0	109.5
387	Q	35.8	Very low	36.7	Very low	194 Å²	194	127.5 Å²	127.5	91%	0.907	74%	0.736	S	S	*	*			trans	-82.6	121.8	168.3	-68.6	173.1	-26.9	0	0	107.8
388	C	29	Very low	37.3	Very low	120 Å²	120	129 Å²	129	81%	0.811	73%	0.728	S	S	*	*			trans	-111	153.4	171.7	-154.3	0	0	0	0	110.9
389	I	41.2	Very low	37.4	Very low	145 Å²	145	129.7 Å²	129.7	74%	0.744	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-76.1	143.2	178.9	-61	163.3	0	0	0	108.2	D391	I389-D391 PolarHBondContact O-N 3.39Å
390	P	34.1	Very low	38.5	Very low	107 Å²	107	126.2 Å²	126.2	70%	0.695	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-61.2	126	172.6	-21.1	33.1	0	0	0	110.8
391	D	41.6	Very low	39	Very low	122 Å²	122	128.6 Å²	128.6	65%	0.652	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-63.6	148.7	-177	-82.5	-64.7	0	0	0	112.7	I389 D393 E394	I389-D391 PolarHBondContact O-N 3.39Å; D391-D393 HydrophobicContact CB-CB 4.37Å; D391-D393 PolarHBondContact O-N 2.97Å; D391-D393 VanDerWaalsContact O-N 3.1Å; D391-E394 PolarHBondContact O-N 2.87Å
392	Q	48.2	Very low	39.9	Very low	166 Å²	166	130.9 Å²	130.9	78%	0.776	71%	0.707	S	S	*	*	H	α-helix	trans	-59.5	-22.3	173.5	-66.3	-172.3	-5.3	0	0	112.5	R395 A396	Q392-R395 PolarHBondContact O-N 3.18Å; Q392-A396 PolarHBondContact O-N 2.73Å; Q392-A396 VanDerWaalsContact O-N 3.08Å
393	D	52.1	Low	41.1	Very low	130 Å²	130	127.1 Å²	127.1	70%	0.695	68%	0.68	S	S	*	*	H	α-helix	trans	-68.8	-35.9	-177.4	-137.4	27.4	0	0	0	112.5	D391 R395 A396 A397	D391-D393 HydrophobicContact CB-CB 4.37Å; D391-D393 PolarHBondContact O-N 2.97Å; D391-D393 VanDerWaalsContact O-N 3.1Å; D393-R395 VanDerWaalsContact C-N 3.29Å; D393-R395 PolarHBondContact O-N 2.96Å; D393-A396 PolarHBondContact O-N 3.36Å; D393-A397 WeakPolarHBondContact O-CB 3.39Å; D393-A397 PolarHBondContact O-N 3.38Å
394	E	43.8	Very low	43.1	Very low	130 Å²	130	120.7 Å²	120.7	61%	0.607	65%	0.651	S	S	*	*	H	α-helix	trans	-64.4	-37.9	175.6	-168.9	169.2	-138.6	0	0	110.6	D391 A397 E398	D391-E394 PolarHBondContact O-N 2.87Å; E394-A397 PolarHBondContact O-N 3.3Å; E394-E398 WeakPolarHBondContact O-CG 3.45Å; E394-E398 PolarHBondContact O-N 2.8Å
395	R	44.1	Very low	45.5	Very low	192 Å²	192	121.8 Å²	121.8	73%	0.725	64%	0.639	S	S	*	*	H	α-helix	trans	-72.9	-29.9	176.8	-157.1	175.5	-167.4	176.5	3.9	113.1	Q392 D393 L399	Q392-R395 PolarHBondContact O-N 3.18Å; D393-R395 VanDerWaalsContact C-N 3.29Å; D393-R395 PolarHBondContact O-N 2.96Å; R395-L399 WeakPolarHBondContact O-CG 3.45Å; R395-L399 PolarHBondContact O-N 2.88Å
396	A	45.9	Very low	47.4	Very low	53 Å²	53	121.1 Å²	121.1	44%	0.438	62%	0.624	S	S	.	*	H	α-helix	trans	-70.5	-39.9	170.2	0	0	0	0	0	111.3	Q392 D393 L399 S400	Q392-A396 PolarHBondContact O-N 2.73Å; Q392-A396 VanDerWaalsContact O-N 3.08Å; D393-A396 PolarHBondContact O-N 3.36Å; A396-L399 PolarHBondContact O-N 2.82Å; A396-S400 PolarHBondContact O-N 2.87Å
397	A	45	Very low	50	Low	48 Å²	48	118.9 Å²	118.9	40%	0.397	60%	0.601	S	S	.	*	H	α-helix	trans	-66.5	-34.6	174.3	0	0	0	0	0	112.8	D393 E394 S400 R401	D393-A397 WeakPolarHBondContact O-CB 3.39Å; D393-A397 PolarHBondContact O-N 3.38Å; E394-A397 PolarHBondContact O-N 3.3Å; A397-S400 PolarHBondContact O-N 2.76Å; A397-S400 PolarHBondContact O-OG 3.4Å; A397-R401 VanDerWaalsContact O-CG 3.29Å; A397-R401 WeakPolarHBondContact O-CG 3.47Å; A397-R401 PolarHBondContact O-N 2.87Å; A397-R401 VanDerWaalsContact O-N 3.15Å
398	E	41.6	Very low	52.5	Low	118 Å²	118	112.7 Å²	112.7	55%	0.551	57%	0.573	S	S	*	*	H	α-helix	trans	-65.4	-43.3	171.7	-74.9	-173.4	136.9	0	0	112	E394 S400 R401	E394-E398 WeakPolarHBondContact O-CG 3.45Å; E394-E398 PolarHBondContact O-N 2.8Å; E398-S400 VanDerWaalsContact C-N 3.31Å; E398-S400 PolarHBondContact O-N 2.82Å; E398-R401 PolarHBondContact O-N 3.39Å
399	L	41.6	Very low	55.5	Low	122 Å²	122	113.2 Å²	113.2	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-66.2	-29.2	175	-71.3	169.8	0	0	0	113.2	R395 A396	R395-L399 WeakPolarHBondContact O-CG 3.45Å; R395-L399 PolarHBondContact O-N 2.88Å; A396-L399 PolarHBondContact O-N 2.82Å
400	S	47.1	Very low	57.9	Low	55 Å²	55	108.4 Å²	108.4	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-72.8	-31.8	174.3	79.5	0	0	0	0	112.5	A396 A397 E398 E402 Q403	A396-S400 PolarHBondContact O-N 2.87Å; A397-S400 PolarHBondContact O-N 2.76Å; A397-S400 PolarHBondContact O-OG 3.4Å; E398-S400 VanDerWaalsContact C-N 3.31Å; E398-S400 PolarHBondContact O-N 2.82Å; S400-E402 PolarHBondContact O-N 2.94Å; S400-Q403 PolarHBondContact O-N 3.06Å
401	R	42.1	Very low	60.8	Low	208 Å²	208	103.7 Å²	103.7	79%	0.785	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.7	-179.6	-79.2	172.2	59.2	171.6	-4.9	115.1	A397 E398	A397-R401 VanDerWaalsContact O-CG 3.29Å; A397-R401 WeakPolarHBondContact O-CG 3.47Å; A397-R401 PolarHBondContact O-N 2.87Å; A397-R401 VanDerWaalsContact O-N 3.15Å; E398-R401 PolarHBondContact O-N 3.39Å
402	E	47.9	Very low	63.3	Low	172 Å²	172	102.6 Å²	102.6	80%	0.804	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.2	174.6	-62	-164.5	138.6	0	0	113.6	S400 N404	S400-E402 PolarHBondContact O-N 2.94Å; E402-N404 PolarHBondContact O-N 2.91Å
403	Q	54.4	Low	65.5	Low	59 Å²	59	96.9 Å²	96.9	28%	0.276	47%	0.474	S	S	.	.	S	Bend	trans	-70	121.5	175.2	-69.5	-163.4	50.5	0	0	111.5	S400 E405 I408	S400-Q403 PolarHBondContact O-N 3.06Å; Q403-E405 PolarHBondContact O-N 3.43Å; Q403-I408 HydrophobicContact CB-CD1 4.23Å; Q403-I408 HydrophobicContact CB-CG1 3.99Å
404	N	72.2	Confident	67.6	Low	52 Å²	52	90.7 Å²	90.7	28%	0.278	44%	0.441	S	S	.	.			trans	-52.6	131.4	174.7	-179	-25	0	0	0	111.1	E150 E402 K406 T407 I408	E150-N404 PolarHBondContact OE1-ND2 3.01Å; E150-N404 PolarHBondContact OE2-ND2 3.07Å; E150-N404 VanDerWaalsContact OE2-ND2 3.12Å; E402-N404 PolarHBondContact O-N 2.91Å; N404-K406 PolarHBondContact O-N 2.92Å; N404-K406 VanDerWaalsContact O-N 3.09Å; N404-K406 WeakPolarHBondContact OD1-CB 3.5Å; N404-K406 PolarHBondContact OD1-N 2.98Å; N404-T407 CarbonylContact O-C 3.49Å; N404-T407 VanDerWaalsContact O-CA 3.31Å; N404-T407 WeakPolarHBondContact O-CA 3.43Å; N404-T407 WeakPolarHBondContact O-CB 3.38Å; N404-T407 PolarHBondContact O-N 3.36Å; N404-I408 PolarHBondContact O-N 3.48Å
405	E	80.4	Confident	70.1	Confident	125 Å²	125	86.1 Å²	86.1	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-52.7	-32.1	-179.2	-161	-149.7	131.2	0	0	113.7	Q403 R409	Q403-E405 PolarHBondContact O-N 3.43Å; E405-R409 WeakPolarHBondContact O-CG 3.23Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 VanDerWaalsContact O-N 3.13Å; E405-R409 PolarHBondContact O-NE 3.31Å; E405-R409 IonicContact OE1-CZ 2.82Å; E405-R409 IonicContact OE1-NE 3.13Å; E405-R409 PolarHBondContact OE1-NE 3.24Å; E405-R409 IonicContact OE1-NH2 2.91Å; E405-R409 PolarHBondContact OE1-NH2 3.02Å; E405-R409 IonicContact OE2-NH2 2.68Å
406	K	77.6	Confident	72.6	Confident	129 Å²	129	82.5 Å²	82.5	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-67	-40.3	172.4	-63.6	-179.9	178.9	-178.6	0	112	N404 R409 S410	N404-K406 PolarHBondContact O-N 2.92Å; N404-K406 VanDerWaalsContact O-N 3.09Å; N404-K406 WeakPolarHBondContact OD1-CB 3.5Å; N404-K406 PolarHBondContact OD1-N 2.98Å; K406-R409 PolarHBondContact O-N 2.81Å; K406-S410 WeakPolarHBondContact O-CB 3.45Å; K406-S410 PolarHBondContact O-N 3.46Å
407	T	85.4	Confident	75	Confident	50 Å²	50	81.3 Å²	81.3	31%	0.307	39%	0.393	S	S	.	.	H	α-helix	trans	-71.7	-34.7	-176.8	-54.7	0	0	0	0	110.2	N404 T411 R474	N404-T407 CarbonylContact O-C 3.49Å; N404-T407 VanDerWaalsContact O-CA 3.31Å; N404-T407 WeakPolarHBondContact O-CA 3.43Å; N404-T407 WeakPolarHBondContact O-CB 3.38Å; N404-T407 PolarHBondContact O-N 3.36Å; T407-T411 PolarHBondContact O-N 3.36Å; T407-R474 VanDerWaalsContact CG2-CZ 3.41Å; T407-R474 VanDerWaalsContact CG2-NH2 3.33Å; T407-R474 PolarHBondContact O-NH1 2.81Å; T407-R474 PolarHBondContact O-NH2 3.4Å
408	I	87.9	Confident	77.4	Confident	64 Å²	64	79.2 Å²	79.2	33%	0.328	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-54.9	166.8	-61.3	173.6	0	0	0	110.9	Q403 N404 S410 T411 Q412	Q403-I408 HydrophobicContact CB-CD1 4.23Å; Q403-I408 HydrophobicContact CB-CG1 3.99Å; N404-I408 PolarHBondContact O-N 3.48Å; I408-S410 PolarHBondContact O-N 2.74Å; I408-T411 PolarHBondContact O-N 2.73Å; I408-T411 VanDerWaalsContact O-N 3.1Å; I408-Q412 PolarHBondContact O-N 2.7Å; I408-Q412 VanDerWaalsContact O-N 3.08Å
409	R	90.9	Very high	80	Confident	130 Å²	130	79.5 Å²	79.5	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-32	179.3	-75.8	-173	-84.3	171.1	-9.5	113.2	E405 K406 T413	E405-R409 WeakPolarHBondContact O-CG 3.23Å; E405-R409 PolarHBondContact O-N 3.37Å; E405-R409 VanDerWaalsContact O-N 3.13Å; E405-R409 PolarHBondContact O-NE 3.31Å; E405-R409 IonicContact OE1-CZ 2.82Å; E405-R409 IonicContact OE1-NE 3.13Å; E405-R409 PolarHBondContact OE1-NE 3.24Å; E405-R409 IonicContact OE1-NH2 2.91Å; E405-R409 PolarHBondContact OE1-NH2 3.02Å; E405-R409 IonicContact OE2-NH2 2.68Å; K406-R409 PolarHBondContact O-N 2.81Å; R409-T413 WeakPolarHBondContact O-CB 3.44Å; R409-T413 PolarHBondContact O-N 3.19Å; R409-T413 PolarHBondContact O-OG1 2.91Å
410	S	91.8	Very high	82.5	Confident	45 Å²	45	78.1 Å²	78.1	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-48.7	173.7	-172.2	0	0	0	0	112.3	K406 I408 T413 A414	K406-S410 WeakPolarHBondContact O-CB 3.45Å; K406-S410 PolarHBondContact O-N 3.46Å; I408-S410 PolarHBondContact O-N 2.74Å; S410-T413 PolarHBondContact O-N 3.09Å; S410-A414 PolarHBondContact O-N 2.89Å
411	T	94.6	Very high	84.8	Confident	8 Å²	8	76.7 Å²	76.7	5%	0.049	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-49.2	175.9	-78.3	0	0	0	0	111.8	T407 I408 T413 A414 L415 G471 R474 Y475	T407-T411 PolarHBondContact O-N 3.36Å; I408-T411 PolarHBondContact O-N 2.73Å; I408-T411 VanDerWaalsContact O-N 3.1Å; T411-T413 PolarHBondContact O-N 3.32Å; T411-A414 PolarHBondContact O-N 3.44Å; T411-A414 VanDerWaalsContact O-N 3.13Å; T411-L415 HydrophobicContact CG2-CD1 3.62Å; T411-L415 HydrophobicContact CG2-CG 4.3Å; T411-L415 WeakPolarHBondContact O-CG 3.35Å; T411-L415 PolarHBondContact O-N 3.41Å; T411-G471 PolarHBondContact OG1-O 3.21Å; T411-R474 PolarHBondContact OG1-NH1 2.88Å; T411-R474 PolarHBondContact OG1-NH2 3.03Å; T411-Y475 HydrophobicContact CG2-CD2 4.37Å
412	Q	94.8	Very high	87.3	Confident	99 Å²	99	67.3 Å²	67.3	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-35.9	177.7	-68.2	175.4	-17.3	0	0	111.8	I408 R416	I408-Q412 PolarHBondContact O-N 2.7Å; I408-Q412 VanDerWaalsContact O-N 3.08Å; Q412-R416 WeakPolarHBondContact O-CG 3.47Å; Q412-R416 PolarHBondContact O-N 3.29Å; Q412-R416 PolarHBondContact O-NH1 2.85Å
413	T	95	Very high	89.5	Confident	45 Å²	45	64.1 Å²	64.1	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-72.4	-40.8	177.8	-58.6	0	0	0	0	112.1	R409 S410 T411 R416 N417 Y468	R409-T413 WeakPolarHBondContact O-CB 3.44Å; R409-T413 PolarHBondContact O-N 3.19Å; R409-T413 PolarHBondContact O-OG1 2.91Å; S410-T413 PolarHBondContact O-N 3.09Å; T411-T413 PolarHBondContact O-N 3.32Å; T413-R416 PolarHBondContact OG1-NH2 3.05Å; T413-N417 PolarHBondContact O-N 2.9Å; T413-N417 VanDerWaalsContact O-N 3.12Å; T413-N417 PolarHBondContact O-ND2 3.28Å; T413-Y468 HydrophobicContact CG2-CE1 4.37Å
414	A	96.1	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-46.1	172.4	0	0	0	0	0	111.7	S410 T411 N417 F418 Y468 L472	S410-A414 PolarHBondContact O-N 2.89Å; T411-A414 PolarHBondContact O-N 3.44Å; T411-A414 VanDerWaalsContact O-N 3.13Å; A414-N417 PolarHBondContact O-N 2.67Å; A414-F418 WeakPolarHBondContact O-CB 3.29Å; A414-F418 PolarHBondContact O-N 2.69Å; A414-Y468 HydrophobicContact CB-CD1 3.91Å; A414-Y468 HydrophobicContact CB-CG 4.36Å; A414-L472 HydrophobicContact CB-CD2 4.25Å; A414-L472 HydrophobicContact CB-CG 4.23Å
415	L	96.6	Very high	92.4	Very high	34 Å²	34	67.6 Å²	67.6	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-45.7	179	-69.3	164.8	0	0	0	112.7	T411 F418 R419 I433 L472 Y475	T411-L415 HydrophobicContact CG2-CD1 3.62Å; T411-L415 HydrophobicContact CG2-CG 4.3Å; T411-L415 WeakPolarHBondContact O-CG 3.35Å; T411-L415 PolarHBondContact O-N 3.41Å; L415-F418 PolarHBondContact O-N 2.87Å; L415-R419 WeakPolarHBondContact O-CB 3.33Å; L415-R419 PolarHBondContact O-N 3.23Å; L415-I433 HydrophobicContact CD2-CG2 4.28Å; L415-L472 HydrophobicContact CD2-CD2 3.63Å; L415-L472 HydrophobicContact CG-CD2 4.14Å; L415-Y475 HydrophobicContact CD1-CD1 4.12Å; L415-Y475 HydrophobicContact CD1-CD2 3.48Å; L415-Y475 VanDerWaalsContact CD1-CD2 3.48Å; L415-Y475 HydrophobicContact CD1-CE1 4.35Å; L415-Y475 HydrophobicContact CD1-CE2 3.74Å; L415-Y475 HydrophobicContact CD1-CG 3.66Å; L415-Y475 HydrophobicContact CD2-CD1 3.43Å; L415-Y475 VanDerWaalsContact CD2-CD1 3.43Å; L415-Y475 HydrophobicContact CD2-CD2 4.36Å; L415-Y475 HydrophobicContact CD2-CE1 3.81Å; L415-Y475 HydrophobicContact CD2-CG 3.72Å; L415-Y475 HydrophobicContact CG-CD1 4.4Å; L415-Y475 HydrophobicContact CG-CG 4.24Å
416	R	95.7	Very high	93.1	Very high	117 Å²	117	64.7 Å²	64.7	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-49.8	176.1	-73.5	-169.1	-44.9	-80.6	-4.6	111.6	Q412 T413 F418 R419 E420	Q412-R416 WeakPolarHBondContact O-CG 3.47Å; Q412-R416 PolarHBondContact O-N 3.29Å; Q412-R416 PolarHBondContact O-NH1 2.85Å; T413-R416 PolarHBondContact OG1-NH2 3.05Å; R416-F418 VanDerWaalsContact C-N 3.31Å; R416-F418 PolarHBondContact O-N 3.28Å; R416-R419 PolarHBondContact O-N 3.07Å; R416-E420 WeakPolarHBondContact O-CB 3.48Å; R416-E420 VanDerWaalsContact O-CG 3.27Å; R416-E420 WeakPolarHBondContact O-CG 3.39Å; R416-E420 PolarHBondContact O-N 3.3Å
417	N	95.6	Very high	93.8	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-38.7	-179.6	-76.8	-94.4	0	0	0	111.9	T413 A414 F421 F448 Y460 Y468	T413-N417 PolarHBondContact O-N 2.9Å; T413-N417 VanDerWaalsContact O-N 3.12Å; T413-N417 PolarHBondContact O-ND2 3.28Å; A414-N417 PolarHBondContact O-N 2.67Å; N417-F421 VanDerWaalsContact O-CB 3.32Å; N417-F421 WeakPolarHBondContact O-CB 3.5Å; N417-F421 PolarHBondContact O-N 3.03Å; N417-F448 HydrophobicContact CB-CE2 4.49Å; N417-F448 HydrophobicContact CB-CZ 4.45Å; N417-Y460 PolarHBondContact OD1-OH 3.09Å; N417-Y468 HydrophobicContact CB-CE2 4.27Å
418	F	96.8	Very high	94.1	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-39.9	176.1	-173	-108.6	0	0	0	112.7	A414 L415 R416 F421 L422 I433 L441 L445 F448 L472	A414-F418 WeakPolarHBondContact O-CB 3.29Å; A414-F418 PolarHBondContact O-N 2.69Å; L415-F418 PolarHBondContact O-N 2.87Å; R416-F418 VanDerWaalsContact C-N 3.31Å; R416-F418 PolarHBondContact O-N 3.28Å; F418-F421 PolarHBondContact O-N 3.27Å; F418-L422 HydrophobicContact CD1-CD1 3.99Å; F418-L422 HydrophobicContact CD1-CG 4.33Å; F418-L422 HydrophobicContact CE1-CD1 3.52Å; F418-L422 HydrophobicContact CE1-CD2 4.48Å; F418-L422 HydrophobicContact CE1-CG 3.96Å; F418-L422 HydrophobicContact CZ-CD1 4.06Å; F418-L422 HydrophobicContact CZ-CD2 4.2Å; F418-L422 HydrophobicContact CZ-CG 4.09Å; F418-L422 WeakPolarHBondContact O-CG 3.27Å; F418-L422 PolarHBondContact O-N 2.97Å; F418-I433 HydrophobicContact CD1-CD1 3.65Å; F418-I433 HydrophobicContact CD1-CG1 4.26Å; F418-I433 HydrophobicContact CE1-CD1 3.57Å; F418-I433 HydrophobicContact CE1-CG1 3.82Å; F418-L441 HydrophobicContact CE1-CD1 4.1Å; F418-L441 HydrophobicContact CZ-CD1 4Å; F418-L445 HydrophobicContact CD2-CD2 4.14Å; F418-L445 HydrophobicContact CE2-CD2 3.66Å; F418-L445 HydrophobicContact CE2-CG 4.21Å; F418-L445 HydrophobicContact CZ-CD2 3.96Å; F418-L445 HydrophobicContact CZ-CG 4.24Å; F418-F448 HydrophobicContact CB-CE2 4.38Å; F418-F448 HydrophobicContact CB-CZ 4.45Å; F418-F448 HydrophobicContact CD2-CB 3.93Å; F418-F448 AromaticContact CD2-CD1 3.96Å; F418-F448 HydrophobicContact CD2-CD1 3.96Å; F418-F448 AromaticContact CD2-CD2 3.83Å; F418-F448 HydrophobicContact CD2-CD2 3.83Å; F418-F448 HydrophobicContact CD2-CE1 4.4Å; F418-F448 HydrophobicContact CD2-CE2 4.28Å; F418-F448 AromaticContact CD2-CG 3.65Å; F418-F448 HydrophobicContact CD2-CG 3.65Å; F418-F448 HydrophobicContact CE2-CB 3.87Å; F418-F448 HydrophobicContact CE2-CG 4.12Å; F418-L472 HydrophobicContact CB-CD1 4.15Å; F418-L472 HydrophobicContact CB-CD2 4.12Å; F418-L472 HydrophobicContact CD2-CD1 4.24Å; F418-L472 HydrophobicContact CG-CD1 4.08Å; F418-L472 HydrophobicContact CG-CD2 4.48Å
419	R	95.2	Very high	94.4	Very high	123 Å²	123	63.8 Å²	63.8	46%	0.464	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-43.2	176.3	-164.3	-175	-166.6	114.7	2.6	112.2	L415 R416 F421 L422 I423 E432	L415-R419 WeakPolarHBondContact O-CB 3.33Å; L415-R419 PolarHBondContact O-N 3.23Å; R416-R419 PolarHBondContact O-N 3.07Å; R419-F421 VanDerWaalsContact C-N 3.3Å; R419-F421 PolarHBondContact O-N 2.99Å; R419-L422 PolarHBondContact O-N 2.96Å; R419-I423 HydrophobicContact CG-CD1 4.07Å; R419-I423 VanDerWaalsContact O-CG1 3.3Å; R419-I423 WeakPolarHBondContact O-CG1 3.38Å; R419-I423 PolarHBondContact O-N 3.48Å; R419-E432 IonicContact CZ-OE1 2.71Å; R419-E432 IonicContact CZ-OE2 2.73Å; R419-E432 IonicContact NH1-OE1 2.64Å; R419-E432 PolarHBondContact NH1-OE1 2.97Å; R419-E432 IonicContact NH1-OE2 3.78Å; R419-E432 PolarHBondContact NH1-OE2 3.33Å; R419-E432 IonicContact NH2-OE1 2.67Å; R419-E432 PolarHBondContact NH2-OE1 3.36Å
420	E	94.4	Very high	94.5	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-42.2	173.2	-73.5	169.7	-148.6	0	0	110.7	R416 S424	R416-E420 WeakPolarHBondContact O-CB 3.48Å; R416-E420 VanDerWaalsContact O-CG 3.27Å; R416-E420 WeakPolarHBondContact O-CG 3.39Å; R416-E420 PolarHBondContact O-N 3.3Å; E420-S424 VanDerWaalsContact O-CB 3.28Å; E420-S424 WeakPolarHBondContact O-CB 3.41Å; E420-S424 PolarHBondContact O-N 3.1Å
421	F	95.4	Very high	94.7	Very high	25 Å²	25	65.5 Å²	65.5	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-45.3	174.1	174	-95.5	0	0	0	113.4	N417 F418 R419 S424 K425 Y426 S447 F448 D451	N417-F421 VanDerWaalsContact O-CB 3.32Å; N417-F421 WeakPolarHBondContact O-CB 3.5Å; N417-F421 PolarHBondContact O-N 3.03Å; F418-F421 PolarHBondContact O-N 3.27Å; R419-F421 VanDerWaalsContact C-N 3.3Å; R419-F421 PolarHBondContact O-N 2.99Å; F421-S424 PolarHBondContact O-N 3.08Å; F421-K425 HydrophobicContact CE1-CD 4.29Å; F421-K425 HydrophobicContact CE2-CB 4.38Å; F421-K425 HydrophobicContact CE2-CD 3.71Å; F421-K425 HydrophobicContact CZ-CB 4.33Å; F421-K425 HydrophobicContact CZ-CD 3.43Å; F421-K425 VanDerWaalsContact CZ-CD 3.43Å; F421-K425 HydrophobicContact CZ-CG 4.48Å; F421-K425 WeakPolarHBondContact O-CB 3.39Å; F421-K425 PolarHBondContact O-N 3.24Å; F421-Y426 HydrophobicContact CE1-CE2 4.04Å; F421-Y426 HydrophobicContact CZ-CE2 4.42Å; F421-S447 VanDerWaalsContact CZ-C 3.45Å; F421-S447 WeakPolarHBondContact CZ-O 3.39Å; F421-F448 HydrophobicContact CB-CD2 3.79Å; F421-F448 HydrophobicContact CB-CE2 4.17Å; F421-F448 HydrophobicContact CD1-CB 3.84Å; F421-F448 AromaticContact CD1-CD2 3.79Å; F421-F448 HydrophobicContact CD1-CD2 3.79Å; F421-F448 HydrophobicContact CD1-CG 4.3Å; F421-F448 HydrophobicContact CD2-CD2 4.16Å; F421-F448 VanDerWaalsContact CE1-CA 3.49Å; F421-F448 HydrophobicContact CE1-CB 3.67Å; F421-F448 HydrophobicContact CE1-CD2 4.4Å; F421-F448 HydrophobicContact CG-CB 4.45Å; F421-F448 AromaticContact CG-CD2 3.65Å; F421-F448 HydrophobicContact CG-CD2 3.65Å; F421-F448 HydrophobicContact CG-CE2 4.48Å; F421-F448 VanDerWaalsContact CZ-CA 3.44Å; F421-F448 HydrophobicContact CZ-CB 4.16Å; F421-D451 HydrophobicContact CE2-CB 4.04Å
422	L	95.3	Very high	94.7	Very high	11 Å²	11	68 Å²	68	6%	0.058	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-49.8	176.1	-79.7	-178.8	0	0	0	111.1	F418 R419 S424 K425 Y426 E429 I436 Y444	F418-L422 HydrophobicContact CD1-CD1 3.99Å; F418-L422 HydrophobicContact CD1-CG 4.33Å; F418-L422 HydrophobicContact CE1-CD1 3.52Å; F418-L422 HydrophobicContact CE1-CD2 4.48Å; F418-L422 HydrophobicContact CE1-CG 3.96Å; F418-L422 HydrophobicContact CZ-CD1 4.06Å; F418-L422 HydrophobicContact CZ-CD2 4.2Å; F418-L422 HydrophobicContact CZ-CG 4.09Å; F418-L422 WeakPolarHBondContact O-CG 3.27Å; F418-L422 PolarHBondContact O-N 2.97Å; R419-L422 PolarHBondContact O-N 2.96Å; L422-S424 VanDerWaalsContact C-N 3.27Å; L422-S424 PolarHBondContact O-N 3.34Å; L422-K425 PolarHBondContact O-N 3.4Å; L422-Y426 HydrophobicContact CD2-CD2 4.01Å; L422-Y426 CarbonylContact O-C 3.57Å; L422-Y426 VanDerWaalsContact O-CA 3.27Å; L422-Y426 WeakPolarHBondContact O-CA 3.44Å; L422-Y426 PolarHBondContact O-N 3.01Å; L422-E429 HydrophobicContact CD1-CG 4.2Å; L422-E429 HydrophobicContact CD2-CG 4.36Å; L422-I436 HydrophobicContact CD1-CD1 4.32Å; L422-Y444 HydrophobicContact CD2-CD1 4.12Å; L422-Y444 HydrophobicContact CD2-CD2 4.19Å; L422-Y444 HydrophobicContact CD2-CG 3.83Å
423	I	94	Very high	94.8	Very high	105 Å²	105	63.7 Å²	63.7	54%	0.538	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-39.6	178.5	-67.8	165.2	0	0	0	111.2	R419	R419-I423 HydrophobicContact CG-CD1 4.07Å; R419-I423 VanDerWaalsContact O-CG1 3.3Å; R419-I423 WeakPolarHBondContact O-CG1 3.38Å; R419-I423 PolarHBondContact O-N 3.48Å
424	S	93.3	Very high	94.8	Very high	102 Å²	102	65.8 Å²	65.8	71%	0.713	33%	0.331	S	S	*	.	H	α-helix	trans	-74	-37.3	-178.4	-174.5	0	0	0	0	114.1	E420 F421 L422	E420-S424 VanDerWaalsContact O-CB 3.28Å; E420-S424 WeakPolarHBondContact O-CB 3.41Å; E420-S424 PolarHBondContact O-N 3.1Å; F421-S424 PolarHBondContact O-N 3.08Å; L422-S424 VanDerWaalsContact C-N 3.27Å; L422-S424 PolarHBondContact O-N 3.34Å
425	K	93.8	Very high	94.8	Very high	83 Å²	83	69.9 Å²	69.9	36%	0.361	36%	0.356	S	S	.	.	H	α-helix	trans	-106.4	-22.5	-172.3	-161.9	177	-177.3	-173.9	0	114.4	F421 L422 S447 D451	F421-K425 HydrophobicContact CE1-CD 4.29Å; F421-K425 HydrophobicContact CE2-CB 4.38Å; F421-K425 HydrophobicContact CE2-CD 3.71Å; F421-K425 HydrophobicContact CZ-CB 4.33Å; F421-K425 HydrophobicContact CZ-CD 3.43Å; F421-K425 VanDerWaalsContact CZ-CD 3.43Å; F421-K425 HydrophobicContact CZ-CG 4.48Å; F421-K425 WeakPolarHBondContact O-CB 3.39Å; F421-K425 PolarHBondContact O-N 3.24Å; L422-K425 PolarHBondContact O-N 3.4Å; K425-S447 PolarHBondContact NZ-OG 3.13Å; K425-D451 IonicContact NZ-OD2 3.72Å; K425-D451 PolarHBondContact NZ-OD2 2.88Å
426	Y	94.8	Very high	94.8	Very high	64 Å²	64	68.3 Å²	68.3	25%	0.251	35%	0.348	S	S	.	.			trans	-135.8	66.4	-178.6	-58.1	-76.8	0	0	0	110.7	F421 L422 S428 E429 Y444 S447	F421-Y426 HydrophobicContact CE1-CE2 4.04Å; F421-Y426 HydrophobicContact CZ-CE2 4.42Å; L422-Y426 HydrophobicContact CD2-CD2 4.01Å; L422-Y426 CarbonylContact O-C 3.57Å; L422-Y426 VanDerWaalsContact O-CA 3.27Å; L422-Y426 WeakPolarHBondContact O-CA 3.44Å; L422-Y426 PolarHBondContact O-N 3.01Å; Y426-S428 PolarHBondContact O-N 2.93Å; Y426-E429 WeakPolarHBondContact O-CB 3.35Å; Y426-E429 PolarHBondContact O-N 2.72Å; Y426-Y444 HydrophobicContact CD1-CD1 4.15Å; Y426-Y444 AromaticContact CD1-CE1 3.68Å; Y426-Y444 HydrophobicContact CD1-CE1 3.68Å; Y426-Y444 AromaticContact CD2-CD1 3.74Å; Y426-Y444 HydrophobicContact CD2-CD1 3.74Å; Y426-Y444 HydrophobicContact CD2-CE1 4.03Å; Y426-Y444 HydrophobicContact CE1-CD1 4.1Å; Y426-Y444 AromaticContact CE1-CE1 3.91Å; Y426-Y444 HydrophobicContact CE1-CE1 3.91Å; Y426-Y444 AromaticContact CE2-CD1 3.71Å; Y426-Y444 HydrophobicContact CE2-CD1 3.71Å; Y426-Y444 HydrophobicContact CE2-CE1 4.25Å; Y426-Y444 AromaticContact CG-CD1 3.97Å; Y426-Y444 HydrophobicContact CG-CD1 3.97Å; Y426-Y444 AromaticContact CG-CE1 3.74Å; Y426-Y444 HydrophobicContact CG-CE1 3.74Å; Y426-Y444 AromaticContact CZ-CD1 3.89Å; Y426-S447 WeakPolarHBondContact OH-CB 3.5Å; Y426-S447 PolarHBondContact OH-OG 2.69Å
427	P	92.6	Very high	94.9	Very high	99 Å²	99	65.4 Å²	65.4	64%	0.643	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.8	-171.7	-22.1	33.6	0	0	0	115.3
428	S	92.3	Very high	94.9	Very high	111 Å²	111	64.9 Å²	64.9	78%	0.776	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.2	172.4	58.4	0	0	0	0	113.8	Y426	Y426-S428 PolarHBondContact O-N 2.93Å
429	E	94.3	Very high	94.8	Very high	13 Å²	13	72.9 Å²	72.9	6%	0.061	38%	0.377	C	S	.	.			trans	-83.5	116.2	172.6	-178.2	58.8	-81.4	0	0	110	L422 Y426 R431 I436 Y444	L422-E429 HydrophobicContact CD1-CG 4.2Å; L422-E429 HydrophobicContact CD2-CG 4.36Å; Y426-E429 WeakPolarHBondContact O-CB 3.35Å; Y426-E429 PolarHBondContact O-N 2.72Å; E429-R431 VanDerWaalsContact OE1-CB 3.24Å; E429-R431 WeakPolarHBondContact OE1-CB 3.16Å; E429-R431 WeakPolarHBondContact OE1-CG 3.35Å; E429-R431 IonicContact OE1-CZ 2.69Å; E429-R431 PolarHBondContact OE1-N 3.23Å; E429-R431 IonicContact OE1-NE 2.69Å; E429-R431 PolarHBondContact OE1-NE 2.95Å; E429-R431 IonicContact OE1-NH2 3.76Å; E429-R431 IonicContact OE2-CZ 2.67Å; E429-R431 VanDerWaalsContact OE2-CZ 3.26Å; E429-R431 IonicContact OE2-NE 3.25Å; E429-R431 PolarHBondContact OE2-NE 3.42Å; E429-R431 VanDerWaalsContact OE2-NE 3.13Å; E429-R431 IonicContact OE2-NH2 2.6Å; E429-R431 PolarHBondContact OE2-NH2 2.86Å; E429-I436 HydrophobicContact CG-CD1 4.08Å; E429-Y444 HydrophobicContact CG-CE2 4.29Å; E429-Y444 VanDerWaalsContact OE2-CE2 3.27Å; E429-Y444 WeakPolarHBondContact OE2-CE2 3.38Å
430	T	92.9	Very high	94.9	Very high	121 Å²	121	70.7 Å²	70.7	74%	0.742	37%	0.372	S	S	*	.			trans	-129.4	-1.4	-178.5	53.7	0	0	0	0	112.8
431	R	96	Very high	95.1	Very high	91 Å²	91	66.2 Å²	66.2	34%	0.343	35%	0.351	S	S	.	.	S	Bend	trans	-70.9	144.8	177.8	-63.6	172.3	-73.8	-174.4	-1.7	110.7	E429 V435 I436 P437 E440	E429-R431 VanDerWaalsContact OE1-CB 3.24Å; E429-R431 WeakPolarHBondContact OE1-CB 3.16Å; E429-R431 WeakPolarHBondContact OE1-CG 3.35Å; E429-R431 IonicContact OE1-CZ 2.69Å; E429-R431 PolarHBondContact OE1-N 3.23Å; E429-R431 IonicContact OE1-NE 2.69Å; E429-R431 PolarHBondContact OE1-NE 2.95Å; E429-R431 IonicContact OE1-NH2 3.76Å; E429-R431 IonicContact OE2-CZ 2.67Å; E429-R431 VanDerWaalsContact OE2-CZ 3.26Å; E429-R431 IonicContact OE2-NE 3.25Å; E429-R431 PolarHBondContact OE2-NE 3.42Å; E429-R431 VanDerWaalsContact OE2-NE 3.13Å; E429-R431 IonicContact OE2-NH2 2.6Å; E429-R431 PolarHBondContact OE2-NH2 2.86Å; R431-V435 HydrophobicContact CB-CB 4.39Å; R431-I436 HydrophobicContact CB-CG1 3.9Å; R431-P437 VanDerWaalsContact NH1-CD 3.34Å; R431-E440 IonicContact CZ-OE2 2.7Å; R431-E440 VanDerWaalsContact CZ-OE2 3.23Å; R431-E440 IonicContact NH1-OE2 3.23Å; R431-E440 PolarHBondContact NH1-OE2 3.15Å; R431-E440 IonicContact NH2-OE2 2.75Å; R431-E440 PolarHBondContact NH2-OE2 3.04Å
432	E	94.8	Very high	95.2	Very high	59 Å²	59	65.9 Å²	65.9	28%	0.276	35%	0.351	S	S	.	.			trans	-64.3	145.9	165.9	-68.6	-58.4	152.4	0	0	110.4	R419 Y434 V435	R419-E432 IonicContact CZ-OE1 2.71Å; R419-E432 IonicContact CZ-OE2 2.73Å; R419-E432 IonicContact NH1-OE1 2.64Å; R419-E432 PolarHBondContact NH1-OE1 2.97Å; R419-E432 IonicContact NH1-OE2 3.78Å; R419-E432 PolarHBondContact NH1-OE2 3.33Å; R419-E432 IonicContact NH2-OE1 2.67Å; R419-E432 PolarHBondContact NH2-OE1 3.36Å; E432-Y434 HydrophobicContact CB-CD1 4.21Å; E432-Y434 HydrophobicContact CB-CE1 3.69Å; E432-Y434 HydrophobicContact CB-CE2 4.35Å; E432-Y434 HydrophobicContact CG-CE1 4.32Å; E432-Y434 PolarHBondContact O-N 3.22Å; E432-V435 HydrophobicContact CB-CG2 4.33Å; E432-V435 WeakPolarHBondContact O-CB 3.46Å; E432-V435 PolarHBondContact O-N 3.41Å
433	I	95.8	Very high	95.4	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.051	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32.9	-168	-168	-178.7	0	0	0	114.1	L415 F418 V435 I436 L441 L472 Y475 L476	L415-I433 HydrophobicContact CD2-CG2 4.28Å; F418-I433 HydrophobicContact CD1-CD1 3.65Å; F418-I433 HydrophobicContact CD1-CG1 4.26Å; F418-I433 HydrophobicContact CE1-CD1 3.57Å; F418-I433 HydrophobicContact CE1-CG1 3.82Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 PolarHBondContact O-N 3.32Å; I433-I436 PolarHBondContact O-N 3.01Å; I433-L441 HydrophobicContact CD1-CD1 4.12Å; I433-L441 HydrophobicContact CG1-CD1 3.56Å; I433-L441 HydrophobicContact CG1-CD2 4.18Å; I433-L472 HydrophobicContact CD1-CD2 3.97Å; I433-Y475 HydrophobicContact CG2-CD1 3.69Å; I433-Y475 HydrophobicContact CG2-CE1 3.57Å; I433-L476 HydrophobicContact CD1-CD1 4.46Å; I433-L476 HydrophobicContact CG1-CD2 4.2Å; I433-L476 HydrophobicContact CG2-CD2 4.12Å
434	Y	95.6	Very high	95.6	Very high	89 Å²	89	63.3 Å²	63.3	35%	0.349	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-77.8	-6.7	178.2	58	-100.1	0	0	0	114.2	E432 Y475 H479 Y481	E432-Y434 HydrophobicContact CB-CD1 4.21Å; E432-Y434 HydrophobicContact CB-CE1 3.69Å; E432-Y434 HydrophobicContact CB-CE2 4.35Å; E432-Y434 HydrophobicContact CG-CE1 4.32Å; E432-Y434 PolarHBondContact O-N 3.22Å; Y434-Y475 AromaticContact CD1-CE1 3.95Å; Y434-Y475 HydrophobicContact CD1-CE1 3.95Å; Y434-Y475 HydrophobicContact CE1-CE1 4.39Å; Y434-H479 HydrophobicContact CD1-CB 3.95Å; Y434-H479 AromaticContact CD1-CD2 3.37Å; Y434-H479 WeakPolarHBondContact CD1-CD2 3.25Å; Y434-H479 AromaticContact CD1-CG 3.62Å; Y434-H479 AromaticContact CE1-CD2 3.34Å; Y434-H479 WeakPolarHBondContact CE1-CD2 3.27Å; Y434-H479 AromaticContact CE1-NE2 3.84Å; Y434-H479 HydrophobicContact CG-CB 3.86Å; Y434-H479 AromaticContact CG-CD2 3.98Å; Y434-H479 AromaticContact CZ-CD2 3.93Å; Y434-Y481 VanDerWaalsContact O-CD2 3.3Å; Y434-Y481 WeakPolarHBondContact O-CD2 3.46Å
435	V	96.3	Very high	95.8	Very high	85 Å²	85	58.5 Å²	58.5	52%	0.515	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-98.5	-16.1	176.8	-172.2	0	0	0	0	111.3	R431 E432 I433	R431-V435 HydrophobicContact CB-CB 4.39Å; E432-V435 HydrophobicContact CB-CG2 4.33Å; E432-V435 WeakPolarHBondContact O-CB 3.46Å; E432-V435 PolarHBondContact O-N 3.41Å; I433-V435 VanDerWaalsContact C-N 3.28Å; I433-V435 PolarHBondContact O-N 3.32Å
436	I	96.6	Very high	96	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-73	126.9	179.4	-55.7	177.1	0	0	0	109.7	L422 E429 R431 I433 E440 L441 Y444 Y481	L422-I436 HydrophobicContact CD1-CD1 4.32Å; E429-I436 HydrophobicContact CG-CD1 4.08Å; R431-I436 HydrophobicContact CB-CG1 3.9Å; I433-I436 PolarHBondContact O-N 3.01Å; I436-E440 HydrophobicContact CG2-CB 3.7Å; I436-L441 HydrophobicContact CB-CB 4.21Å; I436-L441 HydrophobicContact CD1-CD1 4.41Å; I436-L441 HydrophobicContact CG2-CB 3.84Å; I436-Y444 HydrophobicContact CD1-CD2 4.29Å; I436-Y444 HydrophobicContact CD1-CE2 4.42Å; I436-Y444 HydrophobicContact CG2-CD2 4.07Å; I436-Y444 HydrophobicContact CG2-CE2 3.94Å; I436-Y481 WeakPolarHBondContact O-CE2 3.44Å; I436-Y481 PolarHBondContact O-OH 2.93Å
437	P	96.9	Very high	96.1	Very high	56 Å²	56	52.5 Å²	52.5	36%	0.364	28%	0.283	S	S	.	.			trans	-58.5	145.5	176	-26.1	36.1	0	0	0	112.8	R431 K439 E440 L441	R431-P437 VanDerWaalsContact NH1-CD 3.34Å; P437-K439 VanDerWaalsContact C-N 3.31Å; P437-K439 PolarHBondContact O-N 2.83Å; P437-K439 VanDerWaalsContact O-N 3.14Å; P437-E440 WeakPolarHBondContact CG-OE1 3.36Å; P437-E440 WeakPolarHBondContact O-CB 3.4Å; P437-E440 PolarHBondContact O-N 3.26Å; P437-L441 PolarHBondContact O-N 3.44Å
438	C	95.3	Very high	96.4	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-41.2	-170.2	55.3	0	0	0	0	114.5	E440 L441 D442 Y481 Y483 E490 F491	C438-E440 VanDerWaalsContact C-N 3.33Å; C438-E440 PolarHBondContact O-N 3.29Å; C438-L441 PolarHBondContact O-N 2.97Å; C438-D442 VanDerWaalsContact O-CB 3.25Å; C438-D442 WeakPolarHBondContact O-CB 3.32Å; C438-D442 PolarHBondContact O-N 3.35Å; C438-Y481 VanDerWaalsContact CA-OH 3.27Å; C438-Y481 WeakPolarHBondContact CA-OH 3.29Å; C438-Y481 PolarHBondContact N-OH 3.2Å; C438-Y483 HydrophobicContact CB-CD2 3.71Å; C438-Y483 HydrophobicContact CB-CE2 3.88Å; C438-Y483 HydrophobicContact CB-CG 4.25Å; C438-E490 HydrophobicContact CB-CB 4.36Å; C438-F491 HydrophobicContact CB-CE2 3.7Å; C438-F491 HydrophobicContact CB-CZ 3.73Å
439	K	95.9	Very high	96.6	Very high	172 Å²	172	42.6 Å²	42.6	75%	0.748	22%	0.216	S	C	*	.	H	α-helix	trans	-66.2	-31.4	177.9	-61	-177.4	-178.3	179.3	0	113.8	P437 A443	P437-K439 VanDerWaalsContact C-N 3.31Å; P437-K439 PolarHBondContact O-N 2.83Å; P437-K439 VanDerWaalsContact O-N 3.14Å; K439-A443 PolarHBondContact O-N 3.19Å
440	E	97.3	Very high	96.7	Very high	76 Å²	76	44.9 Å²	44.9	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-78.6	-45.3	176.2	-71.1	159.6	-126.5	0	0	109.6	R431 I436 P437 C438 D442 A443 Y444	R431-E440 IonicContact CZ-OE2 2.7Å; R431-E440 VanDerWaalsContact CZ-OE2 3.23Å; R431-E440 IonicContact NH1-OE2 3.23Å; R431-E440 PolarHBondContact NH1-OE2 3.15Å; R431-E440 IonicContact NH2-OE2 2.75Å; R431-E440 PolarHBondContact NH2-OE2 3.04Å; I436-E440 HydrophobicContact CG2-CB 3.7Å; P437-E440 WeakPolarHBondContact CG-OE1 3.36Å; P437-E440 WeakPolarHBondContact O-CB 3.4Å; P437-E440 PolarHBondContact O-N 3.26Å; C438-E440 VanDerWaalsContact C-N 3.33Å; C438-E440 PolarHBondContact O-N 3.29Å; E440-D442 PolarHBondContact O-N 2.79Å; E440-A443 WeakPolarHBondContact O-CB 3.16Å; E440-A443 PolarHBondContact O-N 2.88Å; E440-A443 VanDerWaalsContact O-N 3.16Å; E440-Y444 HydrophobicContact CB-CE2 4.11Å; E440-Y444 WeakPolarHBondContact O-CD2 3.42Å; E440-Y444 PolarHBondContact O-N 2.85Å
441	L	97.9	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-40.1	177.9	-174.6	58.1	0	0	0	112.3	F418 I433 I436 P437 C438 Y444 L445 L476 Y481 F491	F418-L441 HydrophobicContact CE1-CD1 4.1Å; F418-L441 HydrophobicContact CZ-CD1 4Å; I433-L441 HydrophobicContact CD1-CD1 4.12Å; I433-L441 HydrophobicContact CG1-CD1 3.56Å; I433-L441 HydrophobicContact CG1-CD2 4.18Å; I436-L441 HydrophobicContact CB-CB 4.21Å; I436-L441 HydrophobicContact CD1-CD1 4.41Å; I436-L441 HydrophobicContact CG2-CB 3.84Å; P437-L441 PolarHBondContact O-N 3.44Å; C438-L441 PolarHBondContact O-N 2.97Å; L441-Y444 PolarHBondContact O-N 3.36Å; L441-L445 HydrophobicContact CD1-CD1 4.23Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 HydrophobicContact CG-CG 4.32Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.33Å; L441-L476 HydrophobicContact CD2-CD1 4.08Å; L441-L476 HydrophobicContact CD2-CD2 4.34Å; L441-Y481 HydrophobicContact CD2-CE1 4Å; L441-F491 HydrophobicContact CB-CE1 3.94Å; L441-F491 HydrophobicContact CB-CZ 4.21Å; L441-F491 HydrophobicContact CD2-CE1 4.07Å; L441-F491 HydrophobicContact CD2-CZ 4.06Å; L441-F491 HydrophobicContact CG-CE1 3.86Å; L441-F491 HydrophobicContact CG-CZ 4.27Å
442	D	98.4	Very high	96.7	Very high	18 Å²	18	38.5 Å²	38.5	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-42.2	173.3	177.1	52.1	0	0	0	111.9	C438 E440 Y444 L445 A446 E490 F491 R493 S494	C438-D442 VanDerWaalsContact O-CB 3.25Å; C438-D442 WeakPolarHBondContact O-CB 3.32Å; C438-D442 PolarHBondContact O-N 3.35Å; E440-D442 PolarHBondContact O-N 2.79Å; D442-Y444 PolarHBondContact O-N 2.93Å; D442-L445 PolarHBondContact O-N 3.19Å; D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.2Å; D442-A446 PolarHBondContact O-N 3.42Å; D442-E490 WeakPolarHBondContact CB-O 3.32Å; D442-F491 HydrophobicContact CB-CD1 3.68Å; D442-F491 HydrophobicContact CB-CE1 3.93Å; D442-F491 HydrophobicContact CB-CG 4.4Å; D442-F491 VanDerWaalsContact OD1-CA 3.24Å; D442-F491 WeakPolarHBondContact OD1-CA 3.47Å; D442-R493 PolarHBondContact OD1-N 3.27Å; D442-R493 WeakPolarHBondContact OD2-CB 3.31Å; D442-S494 VanDerWaalsContact OD1-CB 3.23Å; D442-S494 WeakPolarHBondContact OD1-CB 3.45Å; D442-S494 PolarHBondContact OD1-N 3.36Å; D442-S494 PolarHBondContact OD1-OG 2.68Å
443	A	97.9	Very high	96.6	Very high	25 Å²	25	39.8 Å²	39.8	21%	0.207	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-40.7	174.8	0	0	0	0	0	112.3	K439 E440 S447	K439-A443 PolarHBondContact O-N 3.19Å; E440-A443 WeakPolarHBondContact O-CB 3.16Å; E440-A443 PolarHBondContact O-N 2.88Å; E440-A443 VanDerWaalsContact O-N 3.16Å; A443-S447 VanDerWaalsContact O-CB 3.31Å; A443-S447 WeakPolarHBondContact O-CB 3.24Å; A443-S447 PolarHBondContact O-N 2.91Å; A443-S447 VanDerWaalsContact O-N 3.1Å
444	Y	98.3	Very high	96.5	Very high	37 Å²	37	43.2 Å²	43.2	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-70.1	-40.6	176.1	-61.2	-43.9	0	0	0	112.9	L422 Y426 E429 I436 E440 L441 D442 S447 F448	L422-Y444 HydrophobicContact CD2-CD1 4.12Å; L422-Y444 HydrophobicContact CD2-CD2 4.19Å; L422-Y444 HydrophobicContact CD2-CG 3.83Å; Y426-Y444 HydrophobicContact CD1-CD1 4.15Å; Y426-Y444 AromaticContact CD1-CE1 3.68Å; Y426-Y444 HydrophobicContact CD1-CE1 3.68Å; Y426-Y444 AromaticContact CD2-CD1 3.74Å; Y426-Y444 HydrophobicContact CD2-CD1 3.74Å; Y426-Y444 HydrophobicContact CD2-CE1 4.03Å; Y426-Y444 HydrophobicContact CE1-CD1 4.1Å; Y426-Y444 AromaticContact CE1-CE1 3.91Å; Y426-Y444 HydrophobicContact CE1-CE1 3.91Å; Y426-Y444 AromaticContact CE2-CD1 3.71Å; Y426-Y444 HydrophobicContact CE2-CD1 3.71Å; Y426-Y444 HydrophobicContact CE2-CE1 4.25Å; Y426-Y444 AromaticContact CG-CD1 3.97Å; Y426-Y444 HydrophobicContact CG-CD1 3.97Å; Y426-Y444 AromaticContact CG-CE1 3.74Å; Y426-Y444 HydrophobicContact CG-CE1 3.74Å; Y426-Y444 AromaticContact CZ-CD1 3.89Å; E429-Y444 HydrophobicContact CG-CE2 4.29Å; E429-Y444 VanDerWaalsContact OE2-CE2 3.27Å; E429-Y444 WeakPolarHBondContact OE2-CE2 3.38Å; I436-Y444 HydrophobicContact CD1-CD2 4.29Å; I436-Y444 HydrophobicContact CD1-CE2 4.42Å; I436-Y444 HydrophobicContact CG2-CD2 4.07Å; I436-Y444 HydrophobicContact CG2-CE2 3.94Å; E440-Y444 HydrophobicContact CB-CE2 4.11Å; E440-Y444 WeakPolarHBondContact O-CD2 3.42Å; E440-Y444 PolarHBondContact O-N 2.85Å; L441-Y444 PolarHBondContact O-N 3.36Å; D442-Y444 PolarHBondContact O-N 2.93Å; Y444-S447 WeakPolarHBondContact O-CB 3.31Å; Y444-S447 PolarHBondContact O-N 3.27Å; Y444-F448 WeakPolarHBondContact O-CB 3.24Å; Y444-F448 PolarHBondContact O-N 2.96Å
445	L	98.1	Very high	96.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-41.3	176.4	-74.1	169.5	0	0	0	111.6	F418 L441 D442 S447 F448 F449 L472 I485 F491 S494	F418-L445 HydrophobicContact CD2-CD2 4.14Å; F418-L445 HydrophobicContact CE2-CD2 3.66Å; F418-L445 HydrophobicContact CE2-CG 4.21Å; F418-L445 HydrophobicContact CZ-CD2 3.96Å; F418-L445 HydrophobicContact CZ-CG 4.24Å; L441-L445 HydrophobicContact CD1-CD1 4.23Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 HydrophobicContact CG-CG 4.32Å; L441-L445 WeakPolarHBondContact O-CB 3.46Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.33Å; D442-L445 PolarHBondContact O-N 3.19Å; L445-S447 VanDerWaalsContact C-N 3.32Å; L445-S447 PolarHBondContact O-N 2.91Å; L445-F448 WeakPolarHBondContact O-CB 3.4Å; L445-F448 PolarHBondContact O-N 3.25Å; L445-F449 HydrophobicContact CB-CE2 4.14Å; L445-F449 HydrophobicContact CD2-CE2 4.39Å; L445-F449 HydrophobicContact CD2-CZ 4.46Å; L445-F449 WeakPolarHBondContact O-CD2 3.48Å; L445-F449 WeakPolarHBondContact O-CG 3.41Å; L445-F449 PolarHBondContact O-N 3.3Å; L445-L472 HydrophobicContact CD2-CD1 3.66Å; L445-I485 HydrophobicContact CD1-CB 4.12Å; L445-I485 HydrophobicContact CD1-CD1 3.91Å; L445-I485 HydrophobicContact CD1-CG2 3.91Å; L445-I485 HydrophobicContact CD2-CD1 4.49Å; L445-F491 HydrophobicContact CD1-CD1 3.97Å; L445-F491 HydrophobicContact CD1-CE1 3.93Å; L445-S494 VanDerWaalsContact CB-CB 3.47Å
446	A	98.2	Very high	95.9	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-43.3	173.7	0	0	0	0	0	111.5	D442 V450 R493 A497	D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.2Å; D442-A446 PolarHBondContact O-N 3.42Å; A446-V450 WeakPolarHBondContact O-CG2 3.47Å; A446-V450 PolarHBondContact O-N 2.71Å; A446-R493 HydrophobicContact CB-CB 4.31Å; A446-R493 HydrophobicContact CB-CG 3.79Å; A446-A497 HydrophobicContact CB-CB 3.92Å
447	S	97.8	Very high	95.6	Very high	16 Å²	16	52.5 Å²	52.5	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.4	-166.1	0	0	0	0	111.9	F421 K425 Y426 A443 Y444 L445 V450 D451	F421-S447 VanDerWaalsContact CZ-C 3.45Å; F421-S447 WeakPolarHBondContact CZ-O 3.39Å; K425-S447 PolarHBondContact NZ-OG 3.13Å; Y426-S447 WeakPolarHBondContact OH-CB 3.5Å; Y426-S447 PolarHBondContact OH-OG 2.69Å; A443-S447 VanDerWaalsContact O-CB 3.31Å; A443-S447 WeakPolarHBondContact O-CB 3.24Å; A443-S447 PolarHBondContact O-N 2.91Å; A443-S447 VanDerWaalsContact O-N 3.1Å; Y444-S447 WeakPolarHBondContact O-CB 3.31Å; Y444-S447 PolarHBondContact O-N 3.27Å; L445-S447 VanDerWaalsContact C-N 3.32Å; L445-S447 PolarHBondContact O-N 2.91Å; S447-V450 PolarHBondContact O-N 3.45Å; S447-D451 PolarHBondContact O-N 2.63Å
448	F	97.9	Very high	95.3	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-49.4	177.3	173.7	-108.7	0	0	0	112.1	N417 F418 F421 Y444 L445 V450 D451 A452 Y468	N417-F448 HydrophobicContact CB-CE2 4.49Å; N417-F448 HydrophobicContact CB-CZ 4.45Å; F418-F448 HydrophobicContact CB-CE2 4.38Å; F418-F448 HydrophobicContact CB-CZ 4.45Å; F418-F448 HydrophobicContact CD2-CB 3.93Å; F418-F448 AromaticContact CD2-CD1 3.96Å; F418-F448 HydrophobicContact CD2-CD1 3.96Å; F418-F448 AromaticContact CD2-CD2 3.83Å; F418-F448 HydrophobicContact CD2-CD2 3.83Å; F418-F448 HydrophobicContact CD2-CE1 4.4Å; F418-F448 HydrophobicContact CD2-CE2 4.28Å; F418-F448 AromaticContact CD2-CG 3.65Å; F418-F448 HydrophobicContact CD2-CG 3.65Å; F418-F448 HydrophobicContact CE2-CB 3.87Å; F418-F448 HydrophobicContact CE2-CG 4.12Å; F421-F448 HydrophobicContact CB-CD2 3.79Å; F421-F448 HydrophobicContact CB-CE2 4.17Å; F421-F448 HydrophobicContact CD1-CB 3.84Å; F421-F448 AromaticContact CD1-CD2 3.79Å; F421-F448 HydrophobicContact CD1-CD2 3.79Å; F421-F448 HydrophobicContact CD1-CG 4.3Å; F421-F448 HydrophobicContact CD2-CD2 4.16Å; F421-F448 VanDerWaalsContact CE1-CA 3.49Å; F421-F448 HydrophobicContact CE1-CB 3.67Å; F421-F448 HydrophobicContact CE1-CD2 4.4Å; F421-F448 HydrophobicContact CG-CB 4.45Å; F421-F448 AromaticContact CG-CD2 3.65Å; F421-F448 HydrophobicContact CG-CD2 3.65Å; F421-F448 HydrophobicContact CG-CE2 4.48Å; F421-F448 VanDerWaalsContact CZ-CA 3.44Å; F421-F448 HydrophobicContact CZ-CB 4.16Å; Y444-F448 WeakPolarHBondContact O-CB 3.24Å; Y444-F448 PolarHBondContact O-N 2.96Å; L445-F448 WeakPolarHBondContact O-CB 3.4Å; L445-F448 PolarHBondContact O-N 3.25Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 2.95Å; F448-D451 PolarHBondContact O-N 3.49Å; F448-A452 HydrophobicContact CD2-CB 3.81Å; F448-A452 HydrophobicContact CE2-CB 3.73Å; F448-A452 HydrophobicContact CG-CB 4.38Å; F448-A452 HydrophobicContact CZ-CB 4.25Å; F448-A452 WeakPolarHBondContact O-CB 3.1Å; F448-A452 PolarHBondContact O-N 2.98Å; F448-Y468 HydrophobicContact CE1-CD2 4.04Å; F448-Y468 AromaticContact CZ-CD2 3.71Å; F448-Y468 HydrophobicContact CZ-CD2 3.71Å; F448-Y468 HydrophobicContact CZ-CE2 4.32Å; F448-Y468 HydrophobicContact CZ-CG 4.43Å
449	F	97.6	Very high	95.2	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-27.2	-177.5	-65.4	-52.5	0	0	0	113.4	L445 L465 Q469 L498 K501	L445-F449 HydrophobicContact CB-CE2 4.14Å; L445-F449 HydrophobicContact CD2-CE2 4.39Å; L445-F449 HydrophobicContact CD2-CZ 4.46Å; L445-F449 WeakPolarHBondContact O-CD2 3.48Å; L445-F449 WeakPolarHBondContact O-CG 3.41Å; L445-F449 PolarHBondContact O-N 3.3Å; F449-L465 HydrophobicContact CD1-CB 4.33Å; F449-Q469 HydrophobicContact CE1-CB 4.25Å; F449-Q469 HydrophobicContact CE2-CG 4.49Å; F449-Q469 HydrophobicContact CZ-CB 3.75Å; F449-Q469 HydrophobicContact CZ-CG 3.97Å; F449-L498 HydrophobicContact CB-CB 4.19Å; F449-L498 HydrophobicContact CB-CD1 4.42Å; F449-L498 HydrophobicContact CD1-CB 4.42Å; F449-L498 HydrophobicContact CD1-CD1 3.78Å; F449-L498 HydrophobicContact CD1-CG 4.47Å; F449-L498 HydrophobicContact CD2-CB 3.81Å; F449-L498 HydrophobicContact CE1-CD1 4.19Å; F449-L498 HydrophobicContact CE1-CD2 4.28Å; F449-L498 HydrophobicContact CE2-CB 4.29Å; F449-L498 HydrophobicContact CE2-CD2 4.34Å; F449-L498 HydrophobicContact CG-CB 3.9Å; F449-L498 HydrophobicContact CG-CD1 4.06Å; F449-L498 HydrophobicContact CG-CG 4.43Å; F449-L498 HydrophobicContact CZ-CD2 4.19Å; F449-K501 VanDerWaalsContact O-CG 3.29Å; F449-K501 WeakPolarHBondContact O-CG 3.24Å
450	V	96.3	Very high	95.1	Very high	61 Å²	61	45 Å²	45	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-77.9	-44.5	173.7	178.6	0	0	0	0	112	A446 S447 F448 R453 A497	A446-V450 WeakPolarHBondContact O-CG2 3.47Å; A446-V450 PolarHBondContact O-N 2.71Å; S447-V450 PolarHBondContact O-N 3.45Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 2.95Å; V450-R453 PolarHBondContact O-NH1 3.49Å; V450-R453 PolarHBondContact O-NH2 2.88Å; V450-R453 VanDerWaalsContact O-NH2 3.15Å; V450-A497 HydrophobicContact CG2-CB 4.17Å
451	D	95.2	Very high	94.8	Very high	69 Å²	69	44.8 Å²	44.8	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-109	-6.7	-164.8	-70.2	-33.9	0	0	0	116.4	F421 K425 S447 F448 R453	F421-D451 HydrophobicContact CE2-CB 4.04Å; K425-D451 IonicContact NZ-OD2 3.72Å; K425-D451 PolarHBondContact NZ-OD2 2.88Å; S447-D451 PolarHBondContact O-N 2.63Å; F448-D451 PolarHBondContact O-N 3.49Å; D451-R453 VanDerWaalsContact C-NH1 3.25Å; D451-R453 PolarHBondContact O-N 3.49Å; D451-R453 PolarHBondContact O-NH1 3.35Å; D451-R453 IonicContact OD1-NH2 2.75Å
452	A	92.9	Very high	94.5	Very high	9 Å²	9	45 Å²	45	7%	0.074	24%	0.239	C	C	.	.			trans	-60.1	131.4	174	0	0	0	0	0	111.5	F448 Y460	F448-A452 HydrophobicContact CD2-CB 3.81Å; F448-A452 HydrophobicContact CE2-CB 3.73Å; F448-A452 HydrophobicContact CG-CB 4.38Å; F448-A452 HydrophobicContact CZ-CB 4.25Å; F448-A452 WeakPolarHBondContact O-CB 3.1Å; F448-A452 PolarHBondContact O-N 2.98Å; A452-Y460 HydrophobicContact CB-CD2 4.06Å; A452-Y460 HydrophobicContact CB-CE2 3.85Å; A452-Y460 WeakPolarHBondContact O-CD2 3.31Å
453	R	92.9	Very high	94.1	Very high	85 Å²	85	48.3 Å²	48.3	32%	0.321	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-130.2	158.8	175.6	-56.6	-61.8	172.7	-96.5	-7.9	109.9	V450 D451 S458 Y460	V450-R453 PolarHBondContact O-NH1 3.49Å; V450-R453 PolarHBondContact O-NH2 2.88Å; V450-R453 VanDerWaalsContact O-NH2 3.15Å; D451-R453 VanDerWaalsContact C-NH1 3.25Å; D451-R453 PolarHBondContact O-N 3.49Å; D451-R453 PolarHBondContact O-NH1 3.35Å; D451-R453 IonicContact OD1-NH2 2.75Å; R453-S458 WeakPolarHBondContact CA-O 3.38Å; R453-Y460 VanDerWaalsContact O-CE2 3.29Å; R453-Y460 WeakPolarHBondContact O-CE2 3.23Å; R453-Y460 PolarHBondContact O-OH 3.41Å
454	Q	92.8	Very high	93.9	Very high	83 Å²	83	49 Å²	49	39%	0.388	26%	0.26	S	S	.	.			trans	-69.9	169.1	171	-64.8	-169.9	111.8	0	0	110.9	D456 G457 S458 Y460	Q454-D456 WeakPolarHBondContact CB-OD1 3.41Å; Q454-D456 PolarHBondContact O-N 3.38Å; Q454-D456 VanDerWaalsContact O-N 3.16Å; Q454-G457 WeakPolarHBondContact O-CA 3.39Å; Q454-G457 PolarHBondContact O-N 3.16Å; Q454-S458 PolarHBondContact N-O 3.42Å; Q454-S458 PolarHBondContact NE2-OG 3.37Å; Q454-Y460 HydrophobicContact CG-CD1 3.65Å; Q454-Y460 HydrophobicContact CG-CE1 3.5Å; Q454-Y460 HydrophobicContact CG-CE2 4.41Å; Q454-Y460 HydrophobicContact CG-CG 4.19Å
455	K	88.6	Confident	93.7	Very high	196 Å²	196	47.4 Å²	47.4	85%	0.852	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.3	-176.7	-66.6	-169.4	174.2	-169	0	114.5	G457	K455-G457 VanDerWaalsContact C-N 3.32Å
456	D	90.8	Very high	93.4	Very high	123 Å²	123	48.5 Å²	48.5	66%	0.658	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.4	172.2	68.6	-18.8	0	0	0	113.2	Q454 S458	Q454-D456 WeakPolarHBondContact CB-OD1 3.41Å; Q454-D456 PolarHBondContact O-N 3.38Å; Q454-D456 VanDerWaalsContact O-N 3.16Å; D456-S458 VanDerWaalsContact C-N 3.31Å; D456-S458 VanDerWaalsContact CG-OG 3.22Å; D456-S458 VanDerWaalsContact OD1-CB 3.28Å; D456-S458 WeakPolarHBondContact OD1-CB 3.29Å; D456-S458 PolarHBondContact OD1-N 3.14Å; D456-S458 PolarHBondContact OD1-OG 2.8Å; D456-S458 WeakPolarHBondContact OD2-CB 3.29Å; D456-S458 PolarHBondContact OD2-OG 3.28Å
457	G	90.6	Very high	93.2	Very high	51 Å²	51	51.1 Å²	51.1	53%	0.526	28%	0.277	S	S	.	.	S	Bend	trans	82.7	-3.8	-174.7	0	0	0	0	0	114.9	Q454 K455	Q454-G457 WeakPolarHBondContact O-CA 3.39Å; Q454-G457 PolarHBondContact O-N 3.16Å; K455-G457 VanDerWaalsContact C-N 3.32Å
458	S	91.6	Very high	93.1	Very high	37 Å²	37	51.8 Å²	51.8	26%	0.259	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.9	155	-177	70.9	0	0	0	0	113	R453 Q454 D456	R453-S458 WeakPolarHBondContact CA-O 3.38Å; Q454-S458 PolarHBondContact N-O 3.42Å; Q454-S458 PolarHBondContact NE2-OG 3.37Å; D456-S458 VanDerWaalsContact C-N 3.31Å; D456-S458 VanDerWaalsContact CG-OG 3.22Å; D456-S458 VanDerWaalsContact OD1-CB 3.28Å; D456-S458 WeakPolarHBondContact OD1-CB 3.29Å; D456-S458 PolarHBondContact OD1-N 3.14Å; D456-S458 PolarHBondContact OD1-OG 2.8Å; D456-S458 WeakPolarHBondContact OD2-CB 3.29Å; D456-S458 PolarHBondContact OD2-OG 3.28Å
459	E	92.6	Very high	93.1	Very high	37 Å²	37	53 Å²	53	17%	0.173	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-73.2	139.1	177.2	-64.4	-171	122.7	0	0	112.1	K501 L505 K508 K510	E459-K501 WeakPolarHBondContact OE1-CE 3.45Å; E459-K501 IonicContact OE1-NZ 3.1Å; E459-K501 PolarHBondContact OE1-NZ 2.85Å; E459-L505 HydrophobicContact CB-CD2 3.81Å; E459-L505 HydrophobicContact CG-CD2 4.44Å; E459-K508 IonicContact OE1-NZ 2.92Å; E459-K508 PolarHBondContact OE1-NZ 3.09Å; E459-K508 WeakPolarHBondContact OE2-CD 3.29Å; E459-K508 IonicContact OE2-NZ 2.73Å; E459-K508 PolarHBondContact OE2-NZ 3.24Å; E459-K510 HydrophobicContact CB-CD 4.36Å; E459-K510 WeakPolarHBondContact O-CE 3.49Å; E459-K510 PolarHBondContact O-NZ 3.44Å
460	Y	93.7	Very high	93	Very high	15 Å²	15	56.4 Å²	56.4	6%	0.059	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.8	157.9	172.9	-74.6	-75.1	0	0	0	113	N417 A452 R453 Q454 L465 Y468 L505	N417-Y460 PolarHBondContact OD1-OH 3.09Å; A452-Y460 HydrophobicContact CB-CD2 4.06Å; A452-Y460 HydrophobicContact CB-CE2 3.85Å; A452-Y460 WeakPolarHBondContact O-CD2 3.31Å; R453-Y460 VanDerWaalsContact O-CE2 3.29Å; R453-Y460 WeakPolarHBondContact O-CE2 3.23Å; R453-Y460 PolarHBondContact O-OH 3.41Å; Q454-Y460 HydrophobicContact CG-CD1 3.65Å; Q454-Y460 HydrophobicContact CG-CE1 3.5Å; Q454-Y460 HydrophobicContact CG-CE2 4.41Å; Q454-Y460 HydrophobicContact CG-CG 4.19Å; Y460-L465 HydrophobicContact CD2-CD2 3.91Å; Y460-L465 HydrophobicContact CG-CD2 4.05Å; Y460-Y468 HydrophobicContact CD1-CE2 4.2Å; Y460-Y468 AromaticContact CE1-CE2 3.77Å; Y460-Y468 HydrophobicContact CE1-CE2 3.77Å; Y460-Y468 AromaticContact CE1-CZ 3.89Å; Y460-Y468 WeakPolarHBondContact CE1-OH 3.17Å; Y460-Y468 HydrophobicContact CE2-CE2 4.21Å; Y460-Y468 AromaticContact CZ-CE2 3.8Å; Y460-L505 WeakPolarHBondContact O-CD1 3.47Å
461	E	91.6	Very high	92.9	Very high	70 Å²	70	53.5 Å²	53.5	33%	0.327	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-73	148.4	166.6	-69.8	-58.2	115.3	0	0	111.4	N463 S464 L465 K510 G511	E461-N463 PolarHBondContact O-N 3.09Å; E461-N463 VanDerWaalsContact O-N 3.09Å; E461-S464 WeakPolarHBondContact O-CB 3.38Å; E461-S464 PolarHBondContact O-N 3.35Å; E461-L465 PolarHBondContact O-N 3.35Å; E461-K510 WeakPolarHBondContact OE1-CB 3.36Å; E461-K510 WeakPolarHBondContact OE1-CD 3.48Å; E461-K510 VanDerWaalsContact OE1-CG 3.28Å; E461-K510 WeakPolarHBondContact OE1-CG 3.22Å; E461-K510 IonicContact OE1-NZ 2.93Å; E461-K510 PolarHBondContact OE1-NZ 3.22Å; E461-G511 PolarHBondContact OE2-N 3.01Å
462	P	90.8	Very high	93	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-51.5	-38	-179.6	-29.3	34.5	0	0	0	114.4	A466 Q502 L505 R506	P462-A466 PolarHBondContact O-N 3.09Å; P462-Q502 HydrophobicContact CB-CB 4.22Å; P462-Q502 HydrophobicContact CB-CG 4.02Å; P462-L505 HydrophobicContact CG-CB 3.73Å; P462-L505 HydrophobicContact CG-CD1 4.27Å; P462-R506 HydrophobicContact CG-CG 4.22Å
463	N	89.8	Confident	93.2	Very high	89 Å²	89	50.3 Å²	50.3	48%	0.476	27%	0.27	S	S	.	.	H	α-helix	trans	-75.7	-24.8	-179.7	-152.3	131.9	0	0	0	112.5	E461 A466 N467	E461-N463 PolarHBondContact O-N 3.09Å; E461-N463 VanDerWaalsContact O-N 3.09Å; N463-A466 PolarHBondContact O-N 2.88Å; N463-N467 PolarHBondContact ND2-OD1 2.84Å; N463-N467 WeakPolarHBondContact O-CB 3.21Å; N463-N467 PolarHBondContact O-N 3.47Å; N463-N467 PolarHBondContact O-ND2 3.46Å; N463-N467 PolarHBondContact O-OD1 3.3Å
464	S	93.2	Very high	93.4	Very high	39 Å²	39	49.1 Å²	49.1	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-69.7	-40.8	177.3	-58.5	0	0	0	0	110.7	E461 N467 Y468	E461-S464 WeakPolarHBondContact O-CB 3.38Å; E461-S464 PolarHBondContact O-N 3.35Å; S464-N467 PolarHBondContact O-N 3.45Å; S464-Y468 PolarHBondContact O-N 3.49Å
465	L	94.3	Very high	93.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-39.5	174.2	-60.4	178.9	0	0	0	112	F449 Y460 E461 Y468 Q469 L498 K501 L505	F449-L465 HydrophobicContact CD1-CB 4.33Å; Y460-L465 HydrophobicContact CD2-CD2 3.91Å; Y460-L465 HydrophobicContact CG-CD2 4.05Å; E461-L465 PolarHBondContact O-N 3.35Å; L465-Y468 HydrophobicContact CD2-CD2 4.35Å; L465-Y468 PolarHBondContact O-N 3.43Å; L465-Q469 PolarHBondContact O-N 3.27Å; L465-L498 HydrophobicContact CB-CD1 3.54Å; L465-L498 HydrophobicContact CD1-CD1 4.49Å; L465-K501 HydrophobicContact CD1-CB 4.48Å; L465-K501 HydrophobicContact CD1-CG 3.85Å; L465-L505 HydrophobicContact CD1-CD1 3.92Å
466	A	92.8	Very high	93.9	Very high	23 Å²	23	38 Å²	38	19%	0.19	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-45.5	171.6	0	0	0	0	0	112.1	P462 N463 Y468 Q469 C470	P462-A466 PolarHBondContact O-N 3.09Å; N463-A466 PolarHBondContact O-N 2.88Å; A466-Y468 VanDerWaalsContact C-N 3.26Å; A466-Y468 PolarHBondContact O-N 2.92Å; A466-Q469 PolarHBondContact O-N 2.95Å; A466-Q469 VanDerWaalsContact O-N 3.16Å; A466-C470 PolarHBondContact O-N 3.24Å; A466-C470 PolarHBondContact O-SG 3.21Å; A466-C470 VanDerWaalsContact O-SG 3.33Å
467	N	93.6	Very high	94.1	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-35.2	176.7	-67.6	-10.8	0	0	0	111.9	N463 S464 G471	N463-N467 PolarHBondContact ND2-OD1 2.84Å; N463-N467 WeakPolarHBondContact O-CB 3.21Å; N463-N467 PolarHBondContact O-N 3.47Å; N463-N467 PolarHBondContact O-ND2 3.46Å; N463-N467 PolarHBondContact O-OD1 3.3Å; S464-N467 PolarHBondContact O-N 3.45Å; N467-G471 PolarHBondContact O-N 3.4Å
468	Y	96	Very high	94.3	Very high	29 Å²	29	40.3 Å²	40.3	11%	0.114	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-45.6	173	-66.4	-16.7	0	0	0	111.8	T413 A414 N417 F448 Y460 S464 L465 A466 C470 G471 L472	T413-Y468 HydrophobicContact CG2-CE1 4.37Å; A414-Y468 HydrophobicContact CB-CD1 3.91Å; A414-Y468 HydrophobicContact CB-CG 4.36Å; N417-Y468 HydrophobicContact CB-CE2 4.27Å; F448-Y468 HydrophobicContact CE1-CD2 4.04Å; F448-Y468 AromaticContact CZ-CD2 3.71Å; F448-Y468 HydrophobicContact CZ-CD2 3.71Å; F448-Y468 HydrophobicContact CZ-CE2 4.32Å; F448-Y468 HydrophobicContact CZ-CG 4.43Å; Y460-Y468 HydrophobicContact CD1-CE2 4.2Å; Y460-Y468 AromaticContact CE1-CE2 3.77Å; Y460-Y468 HydrophobicContact CE1-CE2 3.77Å; Y460-Y468 AromaticContact CE1-CZ 3.89Å; Y460-Y468 WeakPolarHBondContact CE1-OH 3.17Å; Y460-Y468 HydrophobicContact CE2-CE2 4.21Å; Y460-Y468 AromaticContact CZ-CE2 3.8Å; S464-Y468 PolarHBondContact O-N 3.49Å; L465-Y468 HydrophobicContact CD2-CD2 4.35Å; L465-Y468 PolarHBondContact O-N 3.43Å; A466-Y468 VanDerWaalsContact C-N 3.26Å; A466-Y468 PolarHBondContact O-N 2.92Å; Y468-C470 VanDerWaalsContact C-N 3.33Å; Y468-C470 PolarHBondContact O-N 2.81Å; Y468-G471 PolarHBondContact O-N 3.08Å; Y468-G471 VanDerWaalsContact O-N 3.14Å; Y468-L472 WeakPolarHBondContact O-CG 3.33Å; Y468-L472 PolarHBondContact O-N 2.98Å
469	Q	96.8	Very high	94.5	Very high	27 Å²	27	42 Å²	42	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-56.1	-47.5	173.9	-164.9	-168.6	22.6	0	0	111.3	F449 L465 A466 G471 L472 E473 I485 T486 L498	F449-Q469 HydrophobicContact CE1-CB 4.25Å; F449-Q469 HydrophobicContact CE2-CG 4.49Å; F449-Q469 HydrophobicContact CZ-CB 3.75Å; F449-Q469 HydrophobicContact CZ-CG 3.97Å; L465-Q469 PolarHBondContact O-N 3.27Å; A466-Q469 PolarHBondContact O-N 2.95Å; A466-Q469 VanDerWaalsContact O-N 3.16Å; Q469-G471 VanDerWaalsContact C-N 3.31Å; Q469-G471 PolarHBondContact O-N 3.28Å; Q469-L472 PolarHBondContact O-N 3.03Å; Q469-E473 WeakPolarHBondContact O-CB 3.32Å; Q469-E473 PolarHBondContact O-N 3.06Å; Q469-I485 HydrophobicContact CG-CD1 4.04Å; Q469-I485 HydrophobicContact CG-CG1 4.31Å; Q469-I485 PolarHBondContact NE2-O 3.07Å; Q469-T486 HydrophobicContact CG-CG2 3.95Å; Q469-L498 HydrophobicContact CB-CD2 3.91Å; Q469-L498 HydrophobicContact CG-CD2 4.15Å
470	C	95.4	Very high	94.6	Very high	73 Å²	73	50.5 Å²	50.5	49%	0.493	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-32.7	177.7	-62.9	0	0	0	0	113.5	A466 Y468 R474	A466-C470 PolarHBondContact O-N 3.24Å; A466-C470 PolarHBondContact O-SG 3.21Å; A466-C470 VanDerWaalsContact O-SG 3.33Å; Y468-C470 VanDerWaalsContact C-N 3.33Å; Y468-C470 PolarHBondContact O-N 2.81Å; C470-R474 WeakPolarHBondContact O-CB 3.44Å; C470-R474 PolarHBondContact O-N 3.26Å
471	G	96.2	Very high	94.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-43.7	175.5	0	0	0	0	0	112.8	T411 N467 Y468 Q469 Y475	T411-G471 PolarHBondContact OG1-O 3.21Å; N467-G471 PolarHBondContact O-N 3.4Å; Y468-G471 PolarHBondContact O-N 3.08Å; Y468-G471 VanDerWaalsContact O-N 3.14Å; Q469-G471 VanDerWaalsContact C-N 3.31Å; Q469-G471 PolarHBondContact O-N 3.28Å; G471-Y475 PolarHBondContact O-N 3.36Å
472	L	97.1	Very high	94.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-45.2	177.8	-62.1	176.2	0	0	0	111.6	A414 L415 F418 I433 L445 Y468 Q469 R474 Y475 L476 I485	A414-L472 HydrophobicContact CB-CD2 4.25Å; A414-L472 HydrophobicContact CB-CG 4.23Å; L415-L472 HydrophobicContact CD2-CD2 3.63Å; L415-L472 HydrophobicContact CG-CD2 4.14Å; F418-L472 HydrophobicContact CB-CD1 4.15Å; F418-L472 HydrophobicContact CB-CD2 4.12Å; F418-L472 HydrophobicContact CD2-CD1 4.24Å; F418-L472 HydrophobicContact CG-CD1 4.08Å; F418-L472 HydrophobicContact CG-CD2 4.48Å; I433-L472 HydrophobicContact CD1-CD2 3.97Å; L445-L472 HydrophobicContact CD2-CD1 3.66Å; Y468-L472 WeakPolarHBondContact O-CG 3.33Å; Y468-L472 PolarHBondContact O-N 2.98Å; Q469-L472 PolarHBondContact O-N 3.03Å; L472-R474 VanDerWaalsContact C-N 3.31Å; L472-R474 PolarHBondContact O-N 2.82Å; L472-Y475 PolarHBondContact O-N 3.05Å; L472-L476 WeakPolarHBondContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CG 3.42Å; L472-L476 PolarHBondContact O-N 3.48Å; L472-I485 HydrophobicContact CB-CD1 3.92Å
473	E	96.7	Very high	95.1	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-52.8	-45	173.7	171.7	72.4	-162.8	0	0	112.1	Q469 K477 S484 I485 T486	Q469-E473 WeakPolarHBondContact O-CB 3.32Å; Q469-E473 PolarHBondContact O-N 3.06Å; E473-K477 HydrophobicContact CG-CD 4.37Å; E473-K477 WeakPolarHBondContact O-CB 3.48Å; E473-K477 WeakPolarHBondContact O-CG 3.49Å; E473-K477 PolarHBondContact O-N 2.87Å; E473-K477 WeakPolarHBondContact OE1-CE 3.41Å; E473-K477 IonicContact OE1-NZ 2.73Å; E473-K477 PolarHBondContact OE1-NZ 3.19Å; E473-S484 PolarHBondContact OE1-OG 3.27Å; E473-S484 PolarHBondContact OE2-OG 2.89Å; E473-S484 VanDerWaalsContact OE2-OG 3.05Å; E473-I485 HydrophobicContact CB-CD1 4.36Å; E473-I485 HydrophobicContact CB-CG1 3.95Å; E473-I485 VanDerWaalsContact OE2-CG1 3.24Å; E473-I485 WeakPolarHBondContact OE2-CG1 3.26Å; E473-I485 PolarHBondContact OE2-N 2.94Å; E473-T486 HydrophobicContact CB-CG2 3.92Å; E473-T486 HydrophobicContact CG-CG2 3.74Å; E473-T486 PolarHBondContact OE1-OG1 3.01Å; E473-T486 PolarHBondContact OE2-N 2.85Å; E473-T486 PolarHBondContact OE2-OG1 2.91Å
474	R	96.3	Very high	95.4	Very high	59 Å²	59	52 Å²	52	22%	0.223	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-43.2	178.3	174.1	156	43.8	95.8	8.9	112.3	T407 T411 C470 L472 K477 E478	T407-R474 VanDerWaalsContact CG2-CZ 3.41Å; T407-R474 VanDerWaalsContact CG2-NH2 3.33Å; T407-R474 PolarHBondContact O-NH1 2.81Å; T407-R474 PolarHBondContact O-NH2 3.4Å; T411-R474 PolarHBondContact OG1-NH1 2.88Å; T411-R474 PolarHBondContact OG1-NH2 3.03Å; C470-R474 WeakPolarHBondContact O-CB 3.44Å; C470-R474 PolarHBondContact O-N 3.26Å; L472-R474 VanDerWaalsContact C-N 3.31Å; L472-R474 PolarHBondContact O-N 2.82Å; R474-K477 PolarHBondContact O-N 3.46Å; R474-E478 WeakPolarHBondContact O-CB 3.36Å; R474-E478 PolarHBondContact O-N 2.86Å
475	Y	96.1	Very high	95.6	Very high	44 Å²	44	50.2 Å²	50.2	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-40.2	177.4	-176.5	-103.8	0	0	0	112.4	T411 L415 I433 Y434 G471 L472 E478 H479	T411-Y475 HydrophobicContact CG2-CD2 4.37Å; L415-Y475 HydrophobicContact CD1-CD1 4.12Å; L415-Y475 HydrophobicContact CD1-CD2 3.48Å; L415-Y475 VanDerWaalsContact CD1-CD2 3.48Å; L415-Y475 HydrophobicContact CD1-CE1 4.35Å; L415-Y475 HydrophobicContact CD1-CE2 3.74Å; L415-Y475 HydrophobicContact CD1-CG 3.66Å; L415-Y475 HydrophobicContact CD2-CD1 3.43Å; L415-Y475 VanDerWaalsContact CD2-CD1 3.43Å; L415-Y475 HydrophobicContact CD2-CD2 4.36Å; L415-Y475 HydrophobicContact CD2-CE1 3.81Å; L415-Y475 HydrophobicContact CD2-CG 3.72Å; L415-Y475 HydrophobicContact CG-CD1 4.4Å; L415-Y475 HydrophobicContact CG-CG 4.24Å; I433-Y475 HydrophobicContact CG2-CD1 3.69Å; I433-Y475 HydrophobicContact CG2-CE1 3.57Å; Y434-Y475 AromaticContact CD1-CE1 3.95Å; Y434-Y475 HydrophobicContact CD1-CE1 3.95Å; Y434-Y475 HydrophobicContact CE1-CE1 4.39Å; G471-Y475 PolarHBondContact O-N 3.36Å; L472-Y475 PolarHBondContact O-N 3.05Å; Y475-E478 WeakPolarHBondContact O-CB 3.4Å; Y475-E478 PolarHBondContact O-N 2.89Å; Y475-H479 AromaticContact CD2-CE1 3.61Å; Y475-H479 AromaticContact CD2-ND1 3.78Å; Y475-H479 AromaticContact CE1-CE1 3.95Å; Y475-H479 AromaticContact CE1-ND1 3.93Å; Y475-H479 AromaticContact CE2-CE1 3.12Å; Y475-H479 WeakPolarHBondContact CE2-CE1 3.42Å; Y475-H479 AromaticContact CE2-ND1 3.7Å; Y475-H479 AromaticContact CE2-NE2 3.9Å; Y475-H479 AromaticContact CG-ND1 3.98Å; Y475-H479 AromaticContact CZ-CE1 3.32Å; Y475-H479 AromaticContact CZ-ND1 3.77Å; Y475-H479 AromaticContact CZ-NE2 3.71Å; Y475-H479 PolarHBondContact O-N 3.4Å; Y475-H479 PolarHBondContact O-ND1 3.18Å
476	L	96.6	Very high	95.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-42.1	175.7	-72	169.7	0	0	0	111.6	I433 L441 L472 H479 R480 Y481 I485	I433-L476 HydrophobicContact CD1-CD1 4.46Å; I433-L476 HydrophobicContact CG1-CD2 4.2Å; I433-L476 HydrophobicContact CG2-CD2 4.12Å; L441-L476 HydrophobicContact CD2-CD1 4.08Å; L441-L476 HydrophobicContact CD2-CD2 4.34Å; L472-L476 WeakPolarHBondContact O-CB 3.24Å; L472-L476 WeakPolarHBondContact O-CG 3.42Å; L472-L476 PolarHBondContact O-N 3.48Å; L476-H479 CarbonylContact O-C 3.53Å; L476-H479 PolarHBondContact O-N 3.03Å; L476-R480 PolarHBondContact O-N 3.35Å; L476-Y481 HydrophobicContact CB-CD1 4.3Å; L476-Y481 HydrophobicContact CB-CG 4.31Å; L476-Y481 HydrophobicContact CD1-CD1 4.4Å; L476-Y481 HydrophobicContact CD2-CD1 4.07Å; L476-Y481 HydrophobicContact CD2-CD2 4.16Å; L476-Y481 HydrophobicContact CD2-CG 3.83Å; L476-Y481 HydrophobicContact CG-CD1 4.49Å; L476-Y481 WeakPolarHBondContact O-CB 3.49Å; L476-Y481 PolarHBondContact O-N 3.25Å; L476-I485 HydrophobicContact CD1-CD1 4.29Å; L476-I485 HydrophobicContact CD1-CG2 3.57Å
477	K	94.9	Very high	95.6	Very high	118 Å²	118	60.9 Å²	60.9	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-42.9	172.6	-84	170.8	162.2	155.3	0	113.1	E473 R474 H479 R480	E473-K477 HydrophobicContact CG-CD 4.37Å; E473-K477 WeakPolarHBondContact O-CB 3.48Å; E473-K477 WeakPolarHBondContact O-CG 3.49Å; E473-K477 PolarHBondContact O-N 2.87Å; E473-K477 WeakPolarHBondContact OE1-CE 3.41Å; E473-K477 IonicContact OE1-NZ 2.73Å; E473-K477 PolarHBondContact OE1-NZ 3.19Å; R474-K477 PolarHBondContact O-N 3.46Å; K477-H479 VanDerWaalsContact C-N 3.28Å; K477-H479 PolarHBondContact O-N 3.3Å; K477-R480 PolarHBondContact O-N 3.03Å
478	E	94.6	Very high	95.8	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-39.6	175.6	-173.9	168.4	-151.6	0	0	111.4	R474 Y475 R480	R474-E478 WeakPolarHBondContact O-CB 3.36Å; R474-E478 PolarHBondContact O-N 2.86Å; Y475-E478 WeakPolarHBondContact O-CB 3.4Å; Y475-E478 PolarHBondContact O-N 2.89Å; E478-R480 PolarHBondContact O-N 3.37Å
479	H	95.4	Very high	95.9	Very high	73 Å²	73	66.8 Å²	66.8	34%	0.338	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	12.6	174.8	-68	68.6	0	0	0	114	Y434 Y475 L476 K477 Y481	Y434-H479 HydrophobicContact CD1-CB 3.95Å; Y434-H479 AromaticContact CD1-CD2 3.37Å; Y434-H479 WeakPolarHBondContact CD1-CD2 3.25Å; Y434-H479 AromaticContact CD1-CG 3.62Å; Y434-H479 AromaticContact CE1-CD2 3.34Å; Y434-H479 WeakPolarHBondContact CE1-CD2 3.27Å; Y434-H479 AromaticContact CE1-NE2 3.84Å; Y434-H479 HydrophobicContact CG-CB 3.86Å; Y434-H479 AromaticContact CG-CD2 3.98Å; Y434-H479 AromaticContact CZ-CD2 3.93Å; Y475-H479 AromaticContact CD2-CE1 3.61Å; Y475-H479 AromaticContact CD2-ND1 3.78Å; Y475-H479 AromaticContact CE1-CE1 3.95Å; Y475-H479 AromaticContact CE1-ND1 3.93Å; Y475-H479 AromaticContact CE2-CE1 3.12Å; Y475-H479 WeakPolarHBondContact CE2-CE1 3.42Å; Y475-H479 AromaticContact CE2-ND1 3.7Å; Y475-H479 AromaticContact CE2-NE2 3.9Å; Y475-H479 AromaticContact CG-ND1 3.98Å; Y475-H479 AromaticContact CZ-CE1 3.32Å; Y475-H479 AromaticContact CZ-ND1 3.77Å; Y475-H479 AromaticContact CZ-NE2 3.71Å; Y475-H479 PolarHBondContact O-N 3.4Å; Y475-H479 PolarHBondContact O-ND1 3.18Å; L476-H479 CarbonylContact O-C 3.53Å; L476-H479 PolarHBondContact O-N 3.03Å; K477-H479 VanDerWaalsContact C-N 3.28Å; K477-H479 PolarHBondContact O-N 3.3Å; H479-Y481 PolarHBondContact O-N 2.91Å; H479-Y481 VanDerWaalsContact O-N 3.17Å
480	R	95.3	Very high	95.9	Very high	216 Å²	216	68.3 Å²	68.3	82%	0.815	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	32.8	-180	-54.1	-178.1	-176.2	175.4	2	114	L476 K477 E478 G482	L476-R480 PolarHBondContact O-N 3.35Å; K477-R480 PolarHBondContact O-N 3.03Å; E478-R480 PolarHBondContact O-N 3.37Å; R480-G482 PolarHBondContact O-N 3.11Å
481	Y	96.5	Very high	96	Very high	32 Å²	32	64.9 Å²	64.9	13%	0.125	30%	0.296	C	S	.	.			trans	-58.9	135.3	176.1	-170.8	-109.8	0	0	0	110.5	Y434 I436 C438 L441 L476 H479 Y483 F491	Y434-Y481 VanDerWaalsContact O-CD2 3.3Å; Y434-Y481 WeakPolarHBondContact O-CD2 3.46Å; I436-Y481 WeakPolarHBondContact O-CE2 3.44Å; I436-Y481 PolarHBondContact O-OH 2.93Å; C438-Y481 VanDerWaalsContact CA-OH 3.27Å; C438-Y481 WeakPolarHBondContact CA-OH 3.29Å; C438-Y481 PolarHBondContact N-OH 3.2Å; L441-Y481 HydrophobicContact CD2-CE1 4Å; L476-Y481 HydrophobicContact CB-CD1 4.3Å; L476-Y481 HydrophobicContact CB-CG 4.31Å; L476-Y481 HydrophobicContact CD1-CD1 4.4Å; L476-Y481 HydrophobicContact CD2-CD1 4.07Å; L476-Y481 HydrophobicContact CD2-CD2 4.16Å; L476-Y481 HydrophobicContact CD2-CG 3.83Å; L476-Y481 HydrophobicContact CG-CD1 4.49Å; L476-Y481 WeakPolarHBondContact O-CB 3.49Å; L476-Y481 PolarHBondContact O-N 3.25Å; H479-Y481 PolarHBondContact O-N 2.91Å; H479-Y481 VanDerWaalsContact O-N 3.17Å; Y481-Y483 WeakPolarHBondContact CD1-O 3.3Å; Y481-Y483 HydrophobicContact CE1-CD2 4.4Å; Y481-Y483 PolarHBondContact O-N 3.49Å; Y481-F491 HydrophobicContact CE1-CE2 4.16Å; Y481-F491 AromaticContact CE1-CZ 3.89Å; Y481-F491 HydrophobicContact CE1-CZ 3.89Å
482	G	93.6	Very high	96	Very high	67 Å²	67	70.3 Å²	70.3	69%	0.691	32%	0.32	S	S	*	.	S	Bend	trans	-71.9	5.9	-165.4	0	0	0	0	0	116.8	R480	R480-G482 PolarHBondContact O-N 3.11Å
483	Y	96.1	Very high	96.1	Very high	98 Å²	98	77.5 Å²	77.5	38%	0.384	35%	0.347	S	S	.	.	S	Bend	trans	-148	152.2	-174.8	-63.2	-82.3	0	0	0	111.6	C438 Y481 D488 E490 F491	C438-Y483 HydrophobicContact CB-CD2 3.71Å; C438-Y483 HydrophobicContact CB-CE2 3.88Å; C438-Y483 HydrophobicContact CB-CG 4.25Å; Y481-Y483 WeakPolarHBondContact CD1-O 3.3Å; Y481-Y483 HydrophobicContact CE1-CD2 4.4Å; Y481-Y483 PolarHBondContact O-N 3.49Å; Y483-D488 WeakPolarHBondContact CA-OD2 3.41Å; Y483-E490 HydrophobicContact CD1-CB 4.2Å; Y483-E490 HydrophobicContact CD1-CG 4.08Å; Y483-E490 HydrophobicContact CE1-CB 4.33Å; Y483-E490 HydrophobicContact CE1-CG 3.72Å; Y483-F491 HydrophobicContact CG-CE2 4.3Å
484	S	96.1	Very high	96.1	Very high	12 Å²	12	77 Å²	77	8%	0.084	35%	0.345	C	S	.	.			trans	-95.7	120.4	169.8	-178.8	0	0	0	0	111.2	E473 T486 R487 D488	E473-S484 PolarHBondContact OE1-OG 3.27Å; E473-S484 PolarHBondContact OE2-OG 2.89Å; E473-S484 VanDerWaalsContact OE2-OG 3.05Å; S484-T486 PolarHBondContact O-N 2.82Å; S484-T486 PolarHBondContact OG-N 3.26Å; S484-T486 PolarHBondContact OG-OG1 2.78Å; S484-R487 PolarHBondContact O-N 3.19Å; S484-R487 PolarHBondContact OG-N 3.4Å; S484-D488 PolarHBondContact N-OD2 2.94Å; S484-D488 WeakPolarHBondContact O-CB 3.49Å; S484-D488 PolarHBondContact O-N 3.09Å
485	I	96.6	Very high	96.2	Very high	1 Å²	1	76.5 Å²	76.5	1%	0.005	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.6	175.8	72.4	165.8	0	0	0	112.5	L445 Q469 L472 E473 L476 F491 Q495	L445-I485 HydrophobicContact CD1-CB 4.12Å; L445-I485 HydrophobicContact CD1-CD1 3.91Å; L445-I485 HydrophobicContact CD1-CG2 3.91Å; L445-I485 HydrophobicContact CD2-CD1 4.49Å; Q469-I485 HydrophobicContact CG-CD1 4.04Å; Q469-I485 HydrophobicContact CG-CG1 4.31Å; Q469-I485 PolarHBondContact NE2-O 3.07Å; L472-I485 HydrophobicContact CB-CD1 3.92Å; E473-I485 HydrophobicContact CB-CD1 4.36Å; E473-I485 HydrophobicContact CB-CG1 3.95Å; E473-I485 VanDerWaalsContact OE2-CG1 3.24Å; E473-I485 WeakPolarHBondContact OE2-CG1 3.26Å; E473-I485 PolarHBondContact OE2-N 2.94Å; L476-I485 HydrophobicContact CD1-CD1 4.29Å; L476-I485 HydrophobicContact CD1-CG2 3.57Å; I485-F491 HydrophobicContact CB-CB 4.45Å; I485-F491 HydrophobicContact CB-CD1 3.95Å; I485-F491 HydrophobicContact CB-CD2 4.46Å; I485-F491 HydrophobicContact CB-CE1 4.38Å; I485-F491 HydrophobicContact CB-CG 4Å; I485-F491 HydrophobicContact CG2-CD1 3.68Å; I485-F491 HydrophobicContact CG2-CD2 4.11Å; I485-F491 HydrophobicContact CG2-CE1 3.6Å; I485-F491 HydrophobicContact CG2-CE2 4.04Å; I485-F491 HydrophobicContact CG2-CG 3.94Å; I485-F491 HydrophobicContact CG2-CZ 3.78Å; I485-Q495 WeakPolarHBondContact O-CG 3.45Å; I485-Q495 PolarHBondContact O-NE2 3.06Å; I485-Q495 VanDerWaalsContact O-NE2 3.13Å
486	T	94.9	Very high	96.3	Very high	48 Å²	48	79.4 Å²	79.4	29%	0.294	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-17.5	176.9	58.4	0	0	0	0	115	Q469 E473 S484	Q469-T486 HydrophobicContact CG-CG2 3.95Å; E473-T486 HydrophobicContact CB-CG2 3.92Å; E473-T486 HydrophobicContact CG-CG2 3.74Å; E473-T486 PolarHBondContact OE1-OG1 3.01Å; E473-T486 PolarHBondContact OE2-N 2.85Å; E473-T486 PolarHBondContact OE2-OG1 2.91Å; S484-T486 PolarHBondContact O-N 2.82Å; S484-T486 PolarHBondContact OG-N 3.26Å; S484-T486 PolarHBondContact OG-OG1 2.78Å
487	R	93.9	Very high	96.4	Very high	203 Å²	203	80 Å²	80	77%	0.766	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-29.6	-171.2	-62.9	-176.6	178.8	-164.2	-3.9	115.2	S484	S484-R487 PolarHBondContact O-N 3.19Å; S484-R487 PolarHBondContact OG-N 3.4Å
488	D	97.3	Very high	96.5	Very high	50 Å²	50	74.7 Å²	74.7	27%	0.267	34%	0.343	S	S	.	.			trans	-87.5	142	-168.7	-61.2	-8.1	0	0	0	111.3	Y483 S484 E490 F491 Q495	Y483-D488 WeakPolarHBondContact CA-OD2 3.41Å; S484-D488 PolarHBondContact N-OD2 2.94Å; S484-D488 WeakPolarHBondContact O-CB 3.49Å; S484-D488 PolarHBondContact O-N 3.09Å; D488-E490 PolarHBondContact O-N 3.12Å; D488-F491 PolarHBondContact O-N 2.72Å; D488-Q495 PolarHBondContact O-NE2 3.06Å
489	K	96.6	Very high	96.6	Very high	163 Å²	163	76.8 Å²	76.8	71%	0.709	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-60.9	-24.4	179.8	65.1	-173.9	179.8	-168	0	113	F491 K492	K489-F491 PolarHBondContact O-N 3.1Å; K489-K492 WeakPolarHBondContact O-CB 3.1Å; K489-K492 PolarHBondContact O-N 3.08Å; K489-K492 VanDerWaalsContact O-N 3.1Å
490	E	96.9	Very high	96.7	Very high	60 Å²	60	79.2 Å²	79.2	28%	0.28	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.3	-17.5	172.4	-74.4	67.9	-154	0	0	112.7	C438 D442 Y483 D488	C438-E490 HydrophobicContact CB-CB 4.36Å; D442-E490 WeakPolarHBondContact CB-O 3.32Å; Y483-E490 HydrophobicContact CD1-CB 4.2Å; Y483-E490 HydrophobicContact CD1-CG 4.08Å; Y483-E490 HydrophobicContact CE1-CB 4.33Å; Y483-E490 HydrophobicContact CE1-CG 3.72Å; D488-E490 PolarHBondContact O-N 3.12Å
491	F	98.1	Very high	96.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-110.9	19	175.6	-72.8	-83.7	0	0	0	113.8	C438 L441 D442 L445 Y481 Y483 I485 D488 K489 R493 S494 Q495	C438-F491 HydrophobicContact CB-CE2 3.7Å; C438-F491 HydrophobicContact CB-CZ 3.73Å; L441-F491 HydrophobicContact CB-CE1 3.94Å; L441-F491 HydrophobicContact CB-CZ 4.21Å; L441-F491 HydrophobicContact CD2-CE1 4.07Å; L441-F491 HydrophobicContact CD2-CZ 4.06Å; L441-F491 HydrophobicContact CG-CE1 3.86Å; L441-F491 HydrophobicContact CG-CZ 4.27Å; D442-F491 HydrophobicContact CB-CD1 3.68Å; D442-F491 HydrophobicContact CB-CE1 3.93Å; D442-F491 HydrophobicContact CB-CG 4.4Å; D442-F491 VanDerWaalsContact OD1-CA 3.24Å; D442-F491 WeakPolarHBondContact OD1-CA 3.47Å; L445-F491 HydrophobicContact CD1-CD1 3.97Å; L445-F491 HydrophobicContact CD1-CE1 3.93Å; Y481-F491 HydrophobicContact CE1-CE2 4.16Å; Y481-F491 AromaticContact CE1-CZ 3.89Å; Y481-F491 HydrophobicContact CE1-CZ 3.89Å; Y483-F491 HydrophobicContact CG-CE2 4.3Å; I485-F491 HydrophobicContact CB-CB 4.45Å; I485-F491 HydrophobicContact CB-CD1 3.95Å; I485-F491 HydrophobicContact CB-CD2 4.46Å; I485-F491 HydrophobicContact CB-CE1 4.38Å; I485-F491 HydrophobicContact CB-CG 4Å; I485-F491 HydrophobicContact CG2-CD1 3.68Å; I485-F491 HydrophobicContact CG2-CD2 4.11Å; I485-F491 HydrophobicContact CG2-CE1 3.6Å; I485-F491 HydrophobicContact CG2-CE2 4.04Å; I485-F491 HydrophobicContact CG2-CG 3.94Å; I485-F491 HydrophobicContact CG2-CZ 3.78Å; D488-F491 PolarHBondContact O-N 2.72Å; K489-F491 PolarHBondContact O-N 3.1Å; F491-R493 VanDerWaalsContact C-N 3.31Å; F491-R493 PolarHBondContact O-N 3.2Å; F491-S494 PolarHBondContact O-N 3.2Å; F491-S494 PolarHBondContact O-OG 2.67Å; F491-Q495 VanDerWaalsContact O-CD 3.27Å; F491-Q495 VanDerWaalsContact O-CG 3.23Å; F491-Q495 WeakPolarHBondContact O-CG 3.43Å; F491-Q495 PolarHBondContact O-N 2.95Å
492	K	97.4	Very high	96.6	Very high	115 Å²	115	69.6 Å²	69.6	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-56.2	-40.9	-177.1	177.5	170.3	177	173.3	0	112.9	K489 S494 Q495 E496	K489-K492 WeakPolarHBondContact O-CB 3.1Å; K489-K492 PolarHBondContact O-N 3.08Å; K489-K492 VanDerWaalsContact O-N 3.1Å; K492-S494 PolarHBondContact O-N 2.87Å; K492-Q495 PolarHBondContact O-N 3.26Å; K492-E496 VanDerWaalsContact CE-CD 3.41Å; K492-E496 WeakPolarHBondContact CE-OE1 3.38Å; K492-E496 HydrophobicContact CG-CG 4.23Å; K492-E496 IonicContact NZ-OE1 3.61Å; K492-E496 WeakPolarHBondContact O-CB 3.4Å; K492-E496 VanDerWaalsContact O-CG 3.3Å; K492-E496 WeakPolarHBondContact O-CG 3.4Å; K492-E496 PolarHBondContact O-N 3.36Å
493	R	97.9	Very high	96.4	Very high	151 Å²	151	70 Å²	70	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-40.3	-176.9	-167.5	-168.3	175.8	175.3	-0.6	111.7	D442 A446 F491 A497	D442-R493 PolarHBondContact OD1-N 3.27Å; D442-R493 WeakPolarHBondContact OD2-CB 3.31Å; A446-R493 HydrophobicContact CB-CB 4.31Å; A446-R493 HydrophobicContact CB-CG 3.79Å; F491-R493 VanDerWaalsContact C-N 3.31Å; F491-R493 PolarHBondContact O-N 3.2Å; R493-A497 WeakPolarHBondContact O-CB 3.42Å; R493-A497 PolarHBondContact O-N 3.22Å
494	S	97.9	Very high	96.3	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-75.2	-35.3	179	53.7	0	0	0	0	112.6	D442 L445 F491 K492 L498	D442-S494 VanDerWaalsContact OD1-CB 3.23Å; D442-S494 WeakPolarHBondContact OD1-CB 3.45Å; D442-S494 PolarHBondContact OD1-N 3.36Å; D442-S494 PolarHBondContact OD1-OG 2.68Å; L445-S494 VanDerWaalsContact CB-CB 3.47Å; F491-S494 PolarHBondContact O-N 3.2Å; F491-S494 PolarHBondContact O-OG 2.67Å; K492-S494 PolarHBondContact O-N 2.87Å; S494-L498 WeakPolarHBondContact O-CB 3.43Å; S494-L498 PolarHBondContact O-N 3.06Å
495	Q	98	Very high	96	Very high	48 Å²	48	68 Å²	68	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-47.8	169.8	-67.7	157.7	14.8	0	0	111.5	I485 D488 F491 K492 L498 K499	I485-Q495 WeakPolarHBondContact O-CG 3.45Å; I485-Q495 PolarHBondContact O-NE2 3.06Å; I485-Q495 VanDerWaalsContact O-NE2 3.13Å; D488-Q495 PolarHBondContact O-NE2 3.06Å; F491-Q495 VanDerWaalsContact O-CD 3.27Å; F491-Q495 VanDerWaalsContact O-CG 3.23Å; F491-Q495 WeakPolarHBondContact O-CG 3.43Å; F491-Q495 PolarHBondContact O-N 2.95Å; K492-Q495 PolarHBondContact O-N 3.26Å; Q495-L498 PolarHBondContact O-N 3.18Å; Q495-K499 WeakPolarHBondContact O-CB 3.48Å; Q495-K499 PolarHBondContact O-N 2.89Å
496	E	97.8	Very high	95.6	Very high	105 Å²	105	74.5 Å²	74.5	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-45	176.2	-74.3	176.6	153.8	0	0	112	K492 L498 K499 Q500	K492-E496 VanDerWaalsContact CE-CD 3.41Å; K492-E496 WeakPolarHBondContact CE-OE1 3.38Å; K492-E496 HydrophobicContact CG-CG 4.23Å; K492-E496 IonicContact NZ-OE1 3.61Å; K492-E496 WeakPolarHBondContact O-CB 3.4Å; K492-E496 VanDerWaalsContact O-CG 3.3Å; K492-E496 WeakPolarHBondContact O-CG 3.4Å; K492-E496 PolarHBondContact O-N 3.36Å; E496-L498 PolarHBondContact O-N 2.83Å; E496-K499 PolarHBondContact O-N 3.27Å; E496-Q500 VanDerWaalsContact O-CB 3.29Å; E496-Q500 WeakPolarHBondContact O-CB 3.44Å; E496-Q500 PolarHBondContact O-N 2.74Å
497	A	98.1	Very high	95.1	Very high	16 Å²	16	77.3 Å²	77.3	13%	0.132	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-42.4	176.4	0	0	0	0	0	112.4	A446 V450 R493 K501	A446-A497 HydrophobicContact CB-CB 3.92Å; V450-A497 HydrophobicContact CG2-CB 4.17Å; R493-A497 WeakPolarHBondContact O-CB 3.42Å; R493-A497 PolarHBondContact O-N 3.22Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 PolarHBondContact O-N 2.98Å
498	L	97.6	Very high	94.7	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-48.1	174.8	177.7	57.6	0	0	0	111.7	F449 L465 Q469 S494 Q495 E496 Q500 K501 Q502	F449-L498 HydrophobicContact CB-CB 4.19Å; F449-L498 HydrophobicContact CB-CD1 4.42Å; F449-L498 HydrophobicContact CD1-CB 4.42Å; F449-L498 HydrophobicContact CD1-CD1 3.78Å; F449-L498 HydrophobicContact CD1-CG 4.47Å; F449-L498 HydrophobicContact CD2-CB 3.81Å; F449-L498 HydrophobicContact CE1-CD1 4.19Å; F449-L498 HydrophobicContact CE1-CD2 4.28Å; F449-L498 HydrophobicContact CE2-CB 4.29Å; F449-L498 HydrophobicContact CE2-CD2 4.34Å; F449-L498 HydrophobicContact CG-CB 3.9Å; F449-L498 HydrophobicContact CG-CD1 4.06Å; F449-L498 HydrophobicContact CG-CG 4.43Å; F449-L498 HydrophobicContact CZ-CD2 4.19Å; L465-L498 HydrophobicContact CB-CD1 3.54Å; L465-L498 HydrophobicContact CD1-CD1 4.49Å; Q469-L498 HydrophobicContact CB-CD2 3.91Å; Q469-L498 HydrophobicContact CG-CD2 4.15Å; S494-L498 WeakPolarHBondContact O-CB 3.43Å; S494-L498 PolarHBondContact O-N 3.06Å; Q495-L498 PolarHBondContact O-N 3.18Å; E496-L498 PolarHBondContact O-N 2.83Å; L498-Q500 VanDerWaalsContact C-N 3.33Å; L498-Q500 PolarHBondContact O-N 3.11Å; L498-K501 PolarHBondContact O-N 3.49Å; L498-Q502 HydrophobicContact CD1-CG 4.12Å; L498-Q502 WeakPolarHBondContact O-CB 3.33Å; L498-Q502 VanDerWaalsContact O-CG 3.31Å; L498-Q502 WeakPolarHBondContact O-CG 3.31Å; L498-Q502 PolarHBondContact O-N 3.46Å
499	K	96.3	Very high	93.9	Very high	148 Å²	148	72.7 Å²	72.7	64%	0.643	35%	0.345	S	S	*	.	H	α-helix	trans	-58.4	-46.8	178.2	-173.4	173.7	-177.7	174.9	0	110.7	Q495 E496 Q502 I503	Q495-K499 WeakPolarHBondContact O-CB 3.48Å; Q495-K499 PolarHBondContact O-N 2.89Å; E496-K499 PolarHBondContact O-N 3.27Å; K499-Q502 PolarHBondContact O-N 2.98Å; K499-I503 HydrophobicContact CG-CD1 4.31Å; K499-I503 WeakPolarHBondContact O-CG1 3.21Å; K499-I503 PolarHBondContact O-N 3.27Å; K499-I503 VanDerWaalsContact O-N 3.07Å
500	Q	96.9	Very high	93.1	Very high	124 Å²	124	67.5 Å²	67.5	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-66	-42.3	178.8	-170.8	62.6	9.7	0	0	112.1	E496 L498 Q502 I503 E504	E496-Q500 VanDerWaalsContact O-CB 3.29Å; E496-Q500 WeakPolarHBondContact O-CB 3.44Å; E496-Q500 PolarHBondContact O-N 2.74Å; L498-Q500 VanDerWaalsContact C-N 3.33Å; L498-Q500 PolarHBondContact O-N 3.11Å; Q500-Q502 VanDerWaalsContact C-N 3.34Å; Q500-Q502 PolarHBondContact O-N 3.3Å; Q500-I503 PolarHBondContact O-N 3.02Å; Q500-E504 WeakPolarHBondContact O-CB 3.32Å; Q500-E504 PolarHBondContact O-N 3.32Å
501	K	96.1	Very high	91.8	Very high	9 Å²	9	66 Å²	66	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-39.3	175.7	-169.6	69	177.8	175.2	0	111.9	F449 E459 L465 A497 L498 I503 E504 L505	F449-K501 VanDerWaalsContact O-CG 3.29Å; F449-K501 WeakPolarHBondContact O-CG 3.24Å; E459-K501 WeakPolarHBondContact OE1-CE 3.45Å; E459-K501 IonicContact OE1-NZ 3.1Å; E459-K501 PolarHBondContact OE1-NZ 2.85Å; L465-K501 HydrophobicContact CD1-CB 4.48Å; L465-K501 HydrophobicContact CD1-CG 3.85Å; A497-K501 WeakPolarHBondContact O-CB 3.35Å; A497-K501 PolarHBondContact O-N 2.98Å; L498-K501 PolarHBondContact O-N 3.49Å; K501-I503 VanDerWaalsContact C-N 3.3Å; K501-I503 PolarHBondContact O-N 3.29Å; K501-E504 VanDerWaalsContact CD-OE2 3.22Å; K501-E504 WeakPolarHBondContact CD-OE2 3.41Å; K501-E504 IonicContact NZ-OE1 2.72Å; K501-E504 PolarHBondContact NZ-OE1 3.47Å; K501-E504 IonicContact NZ-OE2 3.87Å; K501-E504 PolarHBondContact NZ-OE2 3.22Å; K501-E504 PolarHBondContact O-N 3.37Å; K501-L505 HydrophobicContact CD-CG 4.45Å; K501-L505 HydrophobicContact CG-CD1 3.88Å; K501-L505 HydrophobicContact CG-CG 4.2Å; K501-L505 WeakPolarHBondContact O-CB 3.27Å; K501-L505 WeakPolarHBondContact O-CD1 3.3Å; K501-L505 WeakPolarHBondContact O-CG 3.39Å; K501-L505 PolarHBondContact O-N 3.32Å
502	Q	93.5	Very high	90.1	Very high	37 Å²	37	71.4 Å²	71.4	17%	0.173	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-36.4	174.8	-72.7	-175.6	23.2	0	0	112.5	P462 L498 K499 Q500 R506	P462-Q502 HydrophobicContact CB-CB 4.22Å; P462-Q502 HydrophobicContact CB-CG 4.02Å; L498-Q502 HydrophobicContact CD1-CG 4.12Å; L498-Q502 WeakPolarHBondContact O-CB 3.33Å; L498-Q502 VanDerWaalsContact O-CG 3.31Å; L498-Q502 WeakPolarHBondContact O-CG 3.31Å; L498-Q502 PolarHBondContact O-N 3.46Å; K499-Q502 PolarHBondContact O-N 2.98Å; Q500-Q502 VanDerWaalsContact C-N 3.34Å; Q500-Q502 PolarHBondContact O-N 3.3Å; Q502-R506 WeakPolarHBondContact O-CB 3.27Å; Q502-R506 WeakPolarHBondContact O-CD 3.47Å; Q502-R506 WeakPolarHBondContact O-CG 3.33Å; Q502-R506 PolarHBondContact O-N 2.9Å; Q502-R506 VanDerWaalsContact O-N 3.12Å
503	I	89.9	Confident	88.3	Confident	76 Å²	76	72.7 Å²	72.7	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-68.1	-50	173.9	-66.6	163.5	0	0	0	110.2	K499 Q500 K501 L505 R506 C507	K499-I503 HydrophobicContact CG-CD1 4.31Å; K499-I503 WeakPolarHBondContact O-CG1 3.21Å; K499-I503 PolarHBondContact O-N 3.27Å; K499-I503 VanDerWaalsContact O-N 3.07Å; Q500-I503 PolarHBondContact O-N 3.02Å; K501-I503 VanDerWaalsContact C-N 3.3Å; K501-I503 PolarHBondContact O-N 3.29Å; I503-L505 VanDerWaalsContact C-N 3.33Å; I503-L505 PolarHBondContact O-N 2.79Å; I503-R506 WeakPolarHBondContact O-CB 3.28Å; I503-R506 PolarHBondContact O-N 3.5Å; I503-C507 PolarHBondContact O-N 3.02Å; I503-C507 PolarHBondContact O-SG 3.42Å; I503-C507 VanDerWaalsContact O-SG 3.38Å
504	E	94	Very high	86	Confident	66 Å²	66	70.9 Å²	70.9	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-53	-48.4	177.5	-171	-149	122.2	0	0	111.9	Q500 K501 R506 C507 K508	Q500-E504 WeakPolarHBondContact O-CB 3.32Å; Q500-E504 PolarHBondContact O-N 3.32Å; K501-E504 VanDerWaalsContact CD-OE2 3.22Å; K501-E504 WeakPolarHBondContact CD-OE2 3.41Å; K501-E504 IonicContact NZ-OE1 2.72Å; K501-E504 PolarHBondContact NZ-OE1 3.47Å; K501-E504 IonicContact NZ-OE2 3.87Å; K501-E504 PolarHBondContact NZ-OE2 3.22Å; K501-E504 PolarHBondContact O-N 3.37Å; E504-R506 PolarHBondContact O-N 3.21Å; E504-C507 PolarHBondContact O-N 3.32Å; E504-K508 HydrophobicContact CG-CD 4.48Å; E504-K508 WeakPolarHBondContact O-CG 3.21Å; E504-K508 PolarHBondContact O-N 2.98Å; E504-K508 VanDerWaalsContact OE1-CE 3.31Å; E504-K508 WeakPolarHBondContact OE1-CE 3.43Å; E504-K508 IonicContact OE1-NZ 2.67Å; E504-K508 PolarHBondContact OE1-NZ 2.78Å
505	L	91.1	Very high	83.9	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-38.5	177.2	-70	169.5	0	0	0	112.3	E459 Y460 P462 L465 K501 I503 K508 G509 K510	E459-L505 HydrophobicContact CB-CD2 3.81Å; E459-L505 HydrophobicContact CG-CD2 4.44Å; Y460-L505 WeakPolarHBondContact O-CD1 3.47Å; P462-L505 HydrophobicContact CG-CB 3.73Å; P462-L505 HydrophobicContact CG-CD1 4.27Å; L465-L505 HydrophobicContact CD1-CD1 3.92Å; K501-L505 HydrophobicContact CD-CG 4.45Å; K501-L505 HydrophobicContact CG-CD1 3.88Å; K501-L505 HydrophobicContact CG-CG 4.2Å; K501-L505 WeakPolarHBondContact O-CB 3.27Å; K501-L505 WeakPolarHBondContact O-CD1 3.3Å; K501-L505 WeakPolarHBondContact O-CG 3.39Å; K501-L505 PolarHBondContact O-N 3.32Å; I503-L505 VanDerWaalsContact C-N 3.33Å; I503-L505 PolarHBondContact O-N 2.79Å; L505-K508 CarbonylContact O-C 3.58Å; L505-K508 WeakPolarHBondContact O-CB 3.5Å; L505-K508 PolarHBondContact O-N 2.85Å; L505-G509 PolarHBondContact O-N 2.82Å; L505-K510 HydrophobicContact CB-CB 4.26Å; L505-K510 HydrophobicContact CD2-CD 3.83Å; L505-K510 WeakPolarHBondContact O-CA 3.23Å; L505-K510 WeakPolarHBondContact O-CB 3.07Å; L505-K510 PolarHBondContact O-N 3.37Å
506	R	87.9	Confident	82.5	Confident	138 Å²	138	81.4 Å²	81.4	52%	0.521	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-41.1	174.2	-73	170.7	-160.5	-148	12.1	112.1	P462 Q502 I503 E504 K508 G509 K510	P462-R506 HydrophobicContact CG-CG 4.22Å; Q502-R506 WeakPolarHBondContact O-CB 3.27Å; Q502-R506 WeakPolarHBondContact O-CD 3.47Å; Q502-R506 WeakPolarHBondContact O-CG 3.33Å; Q502-R506 PolarHBondContact O-N 2.9Å; Q502-R506 VanDerWaalsContact O-N 3.12Å; I503-R506 WeakPolarHBondContact O-CB 3.28Å; I503-R506 PolarHBondContact O-N 3.5Å; E504-R506 PolarHBondContact O-N 3.21Å; R506-K508 VanDerWaalsContact C-N 3.31Å; R506-K508 PolarHBondContact O-N 3.33Å; R506-G509 PolarHBondContact O-N 3.18Å; R506-K510 WeakPolarHBondContact CA-O 3.49Å
507	C	83.4	Confident	81.6	Confident	108 Å²	108	76.9 Å²	76.9	73%	0.73	39%	0.392	S	S	*	.	H	α-helix	trans	-64.8	-34.4	173.6	-66.3	0	0	0	0	112.3	I503 E504 G509	I503-C507 PolarHBondContact O-N 3.02Å; I503-C507 PolarHBondContact O-SG 3.42Å; I503-C507 VanDerWaalsContact O-SG 3.38Å; E504-C507 PolarHBondContact O-N 3.32Å; C507-G509 PolarHBondContact O-N 2.83Å
508	K	86.4	Confident	81	Confident	115 Å²	115	81 Å²	81	50%	0.5	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.5	169.1	-73.4	170.4	163.3	179.2	0	114.4	E459 E504 L505 R506	E459-K508 IonicContact OE1-NZ 2.92Å; E459-K508 PolarHBondContact OE1-NZ 3.09Å; E459-K508 WeakPolarHBondContact OE2-CD 3.29Å; E459-K508 IonicContact OE2-NZ 2.73Å; E459-K508 PolarHBondContact OE2-NZ 3.24Å; E504-K508 HydrophobicContact CG-CD 4.48Å; E504-K508 WeakPolarHBondContact O-CG 3.21Å; E504-K508 PolarHBondContact O-N 2.98Å; E504-K508 VanDerWaalsContact OE1-CE 3.31Å; E504-K508 WeakPolarHBondContact OE1-CE 3.43Å; E504-K508 IonicContact OE1-NZ 2.67Å; E504-K508 PolarHBondContact OE1-NZ 2.78Å; L505-K508 CarbonylContact O-C 3.58Å; L505-K508 WeakPolarHBondContact O-CB 3.5Å; L505-K508 PolarHBondContact O-N 2.85Å; R506-K508 VanDerWaalsContact C-N 3.31Å; R506-K508 PolarHBondContact O-N 3.33Å
509	G	79.7	Confident	80.5	Confident	40 Å²	40	84.7 Å²	84.7	41%	0.412	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-0.3	179.2	0	0	0	0	0	115.7	L505 R506 C507	L505-G509 PolarHBondContact O-N 2.82Å; R506-G509 PolarHBondContact O-N 3.18Å; C507-G509 PolarHBondContact O-N 2.83Å
510	K	79.3	Confident	80.2	Confident	55 Å²	55	77.7 Å²	77.7	24%	0.239	40%	0.395	C	S	.	.			trans	-75	159.1	169.5	-71.1	177.8	155.1	-86.3	0	110.6	E459 E461 L505 R506 N512	E459-K510 HydrophobicContact CB-CD 4.36Å; E459-K510 WeakPolarHBondContact O-CE 3.49Å; E459-K510 PolarHBondContact O-NZ 3.44Å; E461-K510 WeakPolarHBondContact OE1-CB 3.36Å; E461-K510 WeakPolarHBondContact OE1-CD 3.48Å; E461-K510 VanDerWaalsContact OE1-CG 3.28Å; E461-K510 WeakPolarHBondContact OE1-CG 3.22Å; E461-K510 IonicContact OE1-NZ 2.93Å; E461-K510 PolarHBondContact OE1-NZ 3.22Å; L505-K510 HydrophobicContact CB-CB 4.26Å; L505-K510 HydrophobicContact CD2-CD 3.83Å; L505-K510 WeakPolarHBondContact O-CA 3.23Å; L505-K510 WeakPolarHBondContact O-CB 3.07Å; L505-K510 PolarHBondContact O-N 3.37Å; R506-K510 WeakPolarHBondContact CA-O 3.49Å; K510-N512 PolarHBondContact O-N 3.33Å
511	G	71.1	Confident	79.8	Confident	29 Å²	29	74.1 Å²	74.1	30%	0.299	38%	0.382	S	S	.	.	S	Bend	trans	69.8	-26.9	-175.7	0	0	0	0	0	115.5	E461 K513	E461-G511 PolarHBondContact OE2-N 3.01Å; G511-K513 VanDerWaalsContact C-N 3.28Å; G511-K513 PolarHBondContact O-N 2.81Å
512	N	61.3	Low	79.4	Confident	113 Å²	113	81.7 Å²	81.7	60%	0.604	42%	0.415	S	S	*	.	S	Bend	trans	-62.9	90.2	159.6	-79.9	-27.6	0	0	0	108.4	K510 P514	K510-N512 PolarHBondContact O-N 3.33Å; N512-P514 WeakPolarHBondContact O-CD 3.23Å
513	K	59.6	Low	79.2	Confident	141 Å²	141	82.6 Å²	82.6	61%	0.613	43%	0.429	S	S	*	.			trans	-62.3	108.5	-177.3	-62	174.1	-176.4	173.8	0	109.6	G511 H515 K516	G511-K513 VanDerWaalsContact C-N 3.28Å; G511-K513 PolarHBondContact O-N 2.81Å; K513-H515 PolarHBondContact O-N 3.4Å; K513-K516 HydrophobicContact CB-CB 4.25Å; K513-K516 PolarHBondContact O-N 3.29Å
514	P	50.5	Low	79.4	Confident	113 Å²	113	79.6 Å²	79.6	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.4	161.5	30.5	-36.7	0	0	0	110.5	N512	N512-P514 WeakPolarHBondContact O-CD 3.23Å
515	H	54.5	Low	79.3	Confident	118 Å²	118	77.2 Å²	77.2	55%	0.546	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	17.1	174.3	-51.1	-43.5	0	0	0	114.2	K513 S517 R680	K513-H515 PolarHBondContact O-N 3.4Å; H515-S517 PolarHBondContact O-N 2.84Å; H515-S517 VanDerWaalsContact O-N 3.08Å; H515-R680 WeakPolarHBondContact O-CD 3.46Å; H515-R680 PolarHBondContact O-NH1 3.46Å
516	K	67.1	Low	79.3	Confident	152 Å²	152	82.1 Å²	82.1	66%	0.661	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-60	116.2	169.1	-172.7	175.1	-178.3	178.1	0	107.9	K513 M518	K513-K516 HydrophobicContact CB-CB 4.25Å; K513-K516 PolarHBondContact O-N 3.29Å; K516-M518 PolarHBondContact O-N 2.9Å
517	S	78.9	Confident	79.6	Confident	10 Å²	10	79.1 Å²	79.1	7%	0.07	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-68.7	123.7	-176.2	48.4	0	0	0	0	110.1	H515 R680 T682 Q688	H515-S517 PolarHBondContact O-N 2.84Å; H515-S517 VanDerWaalsContact O-N 3.08Å; S517-R680 CarbonylContact C-O 3.56Å; S517-R680 VanDerWaalsContact CA-O 3.23Å; S517-R680 WeakPolarHBondContact CA-O 3.49Å; S517-T682 VanDerWaalsContact CB-OG1 3.23Å; S517-T682 WeakPolarHBondContact CB-OG1 3.22Å; S517-T682 PolarHBondContact OG-OG1 3.03Å; S517-Q688 PolarHBondContact O-NE2 3.48Å; S517-Q688 PolarHBondContact O-OE1 2.99Å
518	M	86.9	Confident	80.2	Confident	103 Å²	103	74 Å²	74	51%	0.507	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-70.2	149.9	179.5	-62.5	172.4	76	0	0	110.6	K516 R680 K681 S685	K516-M518 PolarHBondContact O-N 2.9Å; M518-R680 PolarHBondContact N-O 2.89Å; M518-K681 HydrophobicContact CB-CD 4.34Å; M518-S685 WeakPolarHBondContact O-CB 3.34Å; M518-S685 PolarHBondContact O-OG 3Å
519	K	87	Confident	80.6	Confident	83 Å²	83	71.4 Å²	71.4	36%	0.361	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-49.8	141.2	169.3	164.1	175.2	169.4	-178.1	0	111.2	K681 Q688 T692	K519-K681 PolarHBondContact O-NZ 2.86Å; K519-Q688 HydrophobicContact CB-CB 4.22Å; K519-T692 HydrophobicContact CD-CG2 3.97Å; K519-T692 WeakPolarHBondContact CE-OG1 3.34Å; K519-T692 PolarHBondContact NZ-OG1 2.73Å
520	L	89.1	Confident	81.3	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-77.6	124.6	164.3	-171.2	70.5	0	0	0	108.4	D524 E525 L528 L548 M671 S685 V686 S689	L520-D524 WeakPolarHBondContact CA-OD2 3.44Å; L520-D524 HydrophobicContact CD1-CB 3.7Å; L520-D524 HydrophobicContact CG-CB 4.4Å; L520-E525 HydrophobicContact CD2-CG 3.91Å; L520-E525 HydrophobicContact CG-CG 4.14Å; L520-L528 HydrophobicContact CD1-CD1 4.33Å; L520-L548 HydrophobicContact CD2-CD1 3.96Å; L520-L548 HydrophobicContact CD2-CD2 4.46Å; L520-M671 HydrophobicContact CD2-CE 4.13Å; L520-S685 PolarHBondContact N-O 2.8Å; L520-V686 HydrophobicContact CD2-CG2 4.15Å; L520-S689 WeakPolarHBondContact O-CB 3.48Å
521	T	89.3	Confident	82.1	Confident	48 Å²	48	82.4 Å²	82.4	29%	0.294	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-99.5	160.6	-175.3	79.8	0	0	0	0	112	A523 D524 E525	T521-A523 PolarHBondContact O-N 3.28Å; T521-A523 PolarHBondContact OG1-N 3.37Å; T521-D524 PolarHBondContact N-OD2 3.01Å; T521-D524 WeakPolarHBondContact O-CB 3.2Å; T521-D524 PolarHBondContact O-N 3.35Å; T521-D524 VanDerWaalsContact O-N 3.11Å; T521-D524 PolarHBondContact OG1-N 3.26Å; T521-D524 PolarHBondContact OG1-OD1 3.18Å; T521-D524 PolarHBondContact OG1-OD2 2.8Å; T521-E525 PolarHBondContact O-N 2.95Å
522	F	87	Confident	83.3	Confident	168 Å²	168	82 Å²	82	74%	0.737	40%	0.402	S	S	*	.	H	α-helix	trans	-59.4	-33.6	171.8	-178.3	-98.6	0	0	0	112.1	E525 L526	F522-E525 PolarHBondContact O-N 3.33Å; F522-L526 WeakPolarHBondContact O-CB 3.25Å; F522-L526 PolarHBondContact O-N 3.19Å
523	A	90.1	Very high	85	Confident	56 Å²	56	77.4 Å²	77.4	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-41	173.6	0	0	0	0	0	111.8	T521 E525 L526 I527	T521-A523 PolarHBondContact O-N 3.28Å; T521-A523 PolarHBondContact OG1-N 3.37Å; A523-E525 VanDerWaalsContact C-N 3.34Å; A523-E525 PolarHBondContact O-N 2.98Å; A523-L526 PolarHBondContact O-N 3.32Å; A523-I527 WeakPolarHBondContact O-CD1 2.77Å; A523-I527 VanDerWaalsContact O-CG1 3.29Å; A523-I527 WeakPolarHBondContact O-CG1 3.36Å; A523-I527 PolarHBondContact O-N 2.85Å
524	D	93.2	Very high	86.7	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-47.5	174.2	-52.2	-16.1	0	0	0	110.2	L520 T521 L526 I527 L528 I677 K681	L520-D524 WeakPolarHBondContact CA-OD2 3.44Å; L520-D524 HydrophobicContact CD1-CB 3.7Å; L520-D524 HydrophobicContact CG-CB 4.4Å; T521-D524 PolarHBondContact N-OD2 3.01Å; T521-D524 WeakPolarHBondContact O-CB 3.2Å; T521-D524 PolarHBondContact O-N 3.35Å; T521-D524 VanDerWaalsContact O-N 3.11Å; T521-D524 PolarHBondContact OG1-N 3.26Å; T521-D524 PolarHBondContact OG1-OD1 3.18Å; T521-D524 PolarHBondContact OG1-OD2 2.8Å; D524-L526 PolarHBondContact O-N 3.29Å; D524-I527 PolarHBondContact O-N 2.88Å; D524-L528 WeakPolarHBondContact O-CB 3.35Å; D524-L528 VanDerWaalsContact O-CG 3.25Å; D524-L528 WeakPolarHBondContact O-CG 3.48Å; D524-L528 PolarHBondContact O-N 2.87Å; D524-I677 HydrophobicContact CB-CD1 4.29Å; D524-I677 HydrophobicContact CB-CG2 3.89Å; D524-K681 IonicContact OD1-NZ 3.14Å; D524-K681 IonicContact OD2-NZ 3.81Å; D524-K681 PolarHBondContact OD2-NZ 3.44Å
525	E	92.2	Very high	88.8	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-37.4	178.8	-73.8	178.5	-132.8	0	0	112.6	L520 T521 F522 A523 L528 R529 L534 L548 K552	L520-E525 HydrophobicContact CD2-CG 3.91Å; L520-E525 HydrophobicContact CG-CG 4.14Å; T521-E525 PolarHBondContact O-N 2.95Å; F522-E525 PolarHBondContact O-N 3.33Å; A523-E525 VanDerWaalsContact C-N 3.34Å; A523-E525 PolarHBondContact O-N 2.98Å; E525-L528 PolarHBondContact O-N 2.76Å; E525-R529 WeakPolarHBondContact O-CB 3.23Å; E525-R529 VanDerWaalsContact O-CG 3.29Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.13Å; E525-L534 HydrophobicContact CB-CD1 4.31Å; E525-L534 HydrophobicContact CG-CD1 4.22Å; E525-L548 HydrophobicContact CG-CD2 4.21Å; E525-K552 VanDerWaalsContact OE1-CE 3.28Å; E525-K552 WeakPolarHBondContact OE1-CE 3.41Å; E525-K552 IonicContact OE1-NZ 2.83Å; E525-K552 PolarHBondContact OE1-NZ 3.39Å; E525-K552 IonicContact OE2-NZ 3.15Å; E525-K552 PolarHBondContact OE2-NZ 3.11Å
526	L	91.1	Very high	90.8	Very high	105 Å²	105	62.4 Å²	62.4	55%	0.55	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-39.4	174.3	-174.6	61.8	0	0	0	111.7	F522 A523 D524 K530	F522-L526 WeakPolarHBondContact O-CB 3.25Å; F522-L526 PolarHBondContact O-N 3.19Å; A523-L526 PolarHBondContact O-N 3.32Å; D524-L526 PolarHBondContact O-N 3.29Å; L526-K530 WeakPolarHBondContact O-CB 3.3Å; L526-K530 PolarHBondContact O-N 3.18Å
527	I	94.5	Very high	92.1	Very high	74 Å²	74	62.7 Å²	62.7	38%	0.379	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-44.6	174	-66.1	162.2	0	0	0	110.6	A523 D524 R529 K530 R531 I677	A523-I527 WeakPolarHBondContact O-CD1 2.77Å; A523-I527 VanDerWaalsContact O-CG1 3.29Å; A523-I527 WeakPolarHBondContact O-CG1 3.36Å; A523-I527 PolarHBondContact O-N 2.85Å; D524-I527 PolarHBondContact O-N 2.88Å; I527-R529 PolarHBondContact O-N 3.21Å; I527-K530 PolarHBondContact O-N 2.77Å; I527-R531 WeakPolarHBondContact O-CB 3.28Å; I527-R531 WeakPolarHBondContact O-CG 3.44Å; I527-R531 PolarHBondContact O-N 2.72Å; I527-I677 HydrophobicContact CB-CD1 3.83Å; I527-I677 HydrophobicContact CD1-CD1 4.3Å; I527-I677 HydrophobicContact CG2-CD1 3.58Å
528	L	96	Very high	92.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-40.2	177.1	-70.4	171.4	0	0	0	112	L520 D524 E525 R531 G532 L533 L534 M671 I677	L520-L528 HydrophobicContact CD1-CD1 4.33Å; D524-L528 WeakPolarHBondContact O-CB 3.35Å; D524-L528 VanDerWaalsContact O-CG 3.25Å; D524-L528 WeakPolarHBondContact O-CG 3.48Å; D524-L528 PolarHBondContact O-N 2.87Å; E525-L528 PolarHBondContact O-N 2.76Å; L528-R531 PolarHBondContact O-N 2.93Å; L528-G532 PolarHBondContact O-N 3.34Å; L528-L533 HydrophobicContact CB-CB 4.42Å; L528-L533 HydrophobicContact CD2-CB 4.05Å; L528-L533 HydrophobicContact CD2-CD1 3.81Å; L528-L533 PolarHBondContact O-N 3.34Å; L528-L534 HydrophobicContact CB-CD1 3.67Å; L528-L534 HydrophobicContact CB-CG 3.91Å; L528-L534 HydrophobicContact CD1-CD1 4.06Å; L528-L534 PolarHBondContact O-N 3.4Å; L528-M671 HydrophobicContact CD1-CE 4.03Å; L528-M671 HydrophobicContact CD1-CG 4.16Å; L528-M671 HydrophobicContact CD1-SD 4.2Å; L528-M671 HydrophobicContact CD2-CB 4.43Å; L528-M671 HydrophobicContact CD2-CG 4.34Å; L528-M671 WeakPolarHBondContact CD2-O 3.48Å; L528-I677 HydrophobicContact CD2-CD1 4.41Å; L528-I677 HydrophobicContact CD2-CG1 4.01Å; L528-I677 HydrophobicContact CG-CD1 4.25Å; L528-I677 HydrophobicContact CG-CG1 4.16Å
529	R	94.7	Very high	93.3	Very high	61 Å²	61	60 Å²	60	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-48.3	171.7	-73.7	-178.4	-178.6	-83.2	4.9	111.3	E525 I527 R531 G532 L534 L545	E525-R529 WeakPolarHBondContact O-CB 3.23Å; E525-R529 VanDerWaalsContact O-CG 3.29Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.13Å; I527-R529 PolarHBondContact O-N 3.21Å; R529-R531 PolarHBondContact O-N 2.93Å; R529-G532 PolarHBondContact O-N 3.26Å; R529-L534 HydrophobicContact CG-CB 3.71Å; R529-L534 HydrophobicContact CG-CD1 4.37Å; R529-L534 WeakPolarHBondContact CG-O 3.37Å; R529-L545 VanDerWaalsContact NH2-CD1 3.29Å
530	K	94.3	Very high	93.7	Very high	195 Å²	195	58.9 Å²	58.9	85%	0.848	28%	0.282	S	S	*	.	H	α-helix	trans	-60.5	-31.5	177.2	-174.1	174.3	-179.8	178	0	113	L526 I527 G532	L526-K530 WeakPolarHBondContact O-CB 3.3Å; L526-K530 PolarHBondContact O-N 3.18Å; I527-K530 PolarHBondContact O-N 2.77Å; K530-G532 VanDerWaalsContact C-N 3.33Å
531	R	96.1	Very high	94.1	Very high	132 Å²	132	58.8 Å²	58.8	50%	0.498	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3	174.4	-71.8	-179.3	174.2	-130.4	0.9	114.3	I527 L528 R529 L533 K674 G675	I527-R531 WeakPolarHBondContact O-CB 3.28Å; I527-R531 WeakPolarHBondContact O-CG 3.44Å; I527-R531 PolarHBondContact O-N 2.72Å; L528-R531 PolarHBondContact O-N 2.93Å; R529-R531 PolarHBondContact O-N 2.93Å; R531-L533 HydrophobicContact CB-CD1 3.91Å; R531-L533 HydrophobicContact CB-CG 4.21Å; R531-L533 PolarHBondContact O-N 3.15Å; R531-K674 PolarHBondContact NH1-O 2.82Å; R531-K674 VanDerWaalsContact NH1-O 3.08Å; R531-G675 WeakPolarHBondContact CD-O 3.34Å; R531-G675 PolarHBondContact NE-O 3.24Å; R531-G675 VanDerWaalsContact NH1-C 3.35Å; R531-G675 PolarHBondContact NH1-O 3.31Å
532	G	95.6	Very high	94.5	Very high	19 Å²	19	56.5 Å²	56.5	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	5	-179.2	0	0	0	0	0	115.3	L528 R529 K530 L534 S535 N538 G541	L528-G532 PolarHBondContact O-N 3.34Å; R529-G532 PolarHBondContact O-N 3.26Å; K530-G532 VanDerWaalsContact C-N 3.33Å; G532-L534 VanDerWaalsContact C-N 3.31Å; G532-S535 VanDerWaalsContact O-CB 3.31Å; G532-S535 WeakPolarHBondContact O-CB 3.47Å; G532-N538 PolarHBondContact O-ND2 3.21Å; G532-G541 WeakPolarHBondContact O-CA 3.28Å
533	L	97.1	Very high	95	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.094	23%	0.234	C	C	.	.	S	Bend	trans	-81.1	-12.9	-177.9	-63.9	164.1	0	0	0	113	L528 R531 N544 K674 G675	L528-L533 HydrophobicContact CB-CB 4.42Å; L528-L533 HydrophobicContact CD2-CB 4.05Å; L528-L533 HydrophobicContact CD2-CD1 3.81Å; L528-L533 PolarHBondContact O-N 3.34Å; R531-L533 HydrophobicContact CB-CD1 3.91Å; R531-L533 HydrophobicContact CB-CG 4.21Å; R531-L533 PolarHBondContact O-N 3.15Å; L533-N544 VanDerWaalsContact O-CB 3.24Å; L533-N544 WeakPolarHBondContact O-CB 3.35Å; L533-N544 PolarHBondContact O-ND2 2.78Å; L533-K674 HydrophobicContact CD1-CB 3.77Å; L533-K674 HydrophobicContact CD2-CB 3.75Å; L533-K674 HydrophobicContact CD2-CD 3.94Å; L533-K674 HydrophobicContact CD2-CG 4.5Å; L533-K674 HydrophobicContact CG-CB 4.44Å; L533-G675 VanDerWaalsContact CD1-CA 3.49Å; L533-G675 VanDerWaalsContact CD1-N 3.33Å
534	L	96.1	Very high	95.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-130.4	88.5	165.7	-67.4	173.7	0	0	0	107.5	E525 L528 R529 G532 N544 L545 L548 M671	E525-L534 HydrophobicContact CB-CD1 4.31Å; E525-L534 HydrophobicContact CG-CD1 4.22Å; L528-L534 HydrophobicContact CB-CD1 3.67Å; L528-L534 HydrophobicContact CB-CG 3.91Å; L528-L534 HydrophobicContact CD1-CD1 4.06Å; L528-L534 PolarHBondContact O-N 3.4Å; R529-L534 HydrophobicContact CG-CB 3.71Å; R529-L534 HydrophobicContact CG-CD1 4.37Å; R529-L534 WeakPolarHBondContact CG-O 3.37Å; G532-L534 VanDerWaalsContact C-N 3.31Å; L534-N544 HydrophobicContact CD2-CB 3.94Å; L534-L545 HydrophobicContact CB-CD1 4.46Å; L534-L545 HydrophobicContact CD2-CB 4.3Å; L534-L548 HydrophobicContact CD1-CD2 3.63Å; L534-L548 HydrophobicContact CD2-CB 4.33Å; L534-L548 HydrophobicContact CD2-CD2 3.77Å; L534-L548 HydrophobicContact CG-CD2 4.39Å; L534-M671 HydrophobicContact CD2-SD 4.01Å
535	S	95	Very high	95.4	Very high	17 Å²	17	46 Å²	46	12%	0.119	21%	0.212	C	C	.	.			trans	-158.2	138.5	-166	-179.8	0	0	0	0	113.1	G532 Y537 G541 L542	G532-S535 VanDerWaalsContact O-CB 3.31Å; G532-S535 WeakPolarHBondContact O-CB 3.47Å; S535-Y537 PolarHBondContact O-N 2.87Å; S535-Y537 WeakPolarHBondContact OG-CD2 3.38Å; S535-Y537 PolarHBondContact OG-N 3.29Å; S535-G541 PolarHBondContact N-O 3.01Å; S535-G541 CarbonylContact O-C 3.45Å; S535-L542 VanDerWaalsContact O-CA 3.24Å; S535-L542 WeakPolarHBondContact O-CA 3.36Å; S535-L542 PolarHBondContact O-N 3.32Å
536	R	95.1	Very high	95.6	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.136	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.1	174.1	-67.6	-178.9	-166.1	146.1	12.3	113.7	N538 L542 L545 P612 C615 D619 E622 W653	R536-N538 PolarHBondContact O-N 3.12Å; R536-L542 HydrophobicContact CG-CD1 4.42Å; R536-L545 HydrophobicContact CG-CD2 4.43Å; R536-P612 VanDerWaalsContact CZ-O 3.31Å; R536-P612 PolarHBondContact NH1-O 3.23Å; R536-P612 PolarHBondContact NH2-O 2.87Å; R536-C615 PolarHBondContact NH2-O 3.26Å; R536-D619 IonicContact CZ-OD1 3.8Å; R536-D619 IonicContact NE-OD1 3.23Å; R536-D619 PolarHBondContact NE-OD1 2.92Å; R536-D619 IonicContact NH2-OD1 2.64Å; R536-D619 PolarHBondContact NH2-OD1 3.32Å; R536-E622 HydrophobicContact CB-CG 4.12Å; R536-E622 HydrophobicContact CG-CB 4.41Å; R536-E622 HydrophobicContact CG-CG 4.31Å; R536-W653 VanDerWaalsContact O-CH2 3.3Å; R536-W653 WeakPolarHBondContact O-CH2 3.39Å; R536-W653 WeakPolarHBondContact O-CZ3 3.1Å
537	Y	93.9	Very high	95.8	Very high	159 Å²	159	40.8 Å²	40.8	62%	0.624	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.4	-164.6	-51	-65.5	0	0	0	114.9	S535	S535-Y537 PolarHBondContact O-N 2.87Å; S535-Y537 WeakPolarHBondContact OG-CD2 3.38Å; S535-Y537 PolarHBondContact OG-N 3.29Å
538	N	95.1	Very high	95.8	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	17%	0.166	C	C	.	.	S	Bend	trans	-150.5	156.5	173.9	78.3	81.2	0	0	0	111.4	G532 R536 E540 G541 L542 L648	G532-N538 PolarHBondContact O-ND2 3.21Å; R536-N538 PolarHBondContact O-N 3.12Å; N538-E540 PolarHBondContact O-N 3.02Å; N538-E540 PolarHBondContact OD1-N 2.61Å; N538-G541 PolarHBondContact O-N 3.12Å; N538-G541 PolarHBondContact OD1-N 3.38Å; N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 2.77Å; N538-L648 HydrophobicContact CB-CD2 4.11Å
539	P	96.4	Very high	95.6	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-72.6	-29.2	-167.5	27.9	-37.2	0	0	0	115.4	L543 I642 V646 W653 Y654	P539-L543 VanDerWaalsContact O-CB 3.27Å; P539-L543 WeakPolarHBondContact O-CB 3.12Å; P539-L543 PolarHBondContact O-N 3.33Å; P539-I642 HydrophobicContact CB-CG1 4.44Å; P539-I642 HydrophobicContact CB-CG2 3.86Å; P539-I642 HydrophobicContact CG-CG2 3.95Å; P539-V646 HydrophobicContact CG-CG1 3.93Å; P539-W653 HydrophobicContact CB-CB 3.97Å; P539-W653 HydrophobicContact CB-CD2 3.98Å; P539-W653 HydrophobicContact CB-CE3 3.74Å; P539-W653 HydrophobicContact CB-CG 4.15Å; P539-W653 HydrophobicContact CB-CZ3 4.5Å; P539-Y654 HydrophobicContact CB-CE1 4.39Å; P539-Y654 PolarHBondContact O-OH 3.38Å
540	E	96	Very high	95.4	Very high	59 Å²	59	35.5 Å²	35.5	28%	0.276	16%	0.161	S	C	.	.	H	α-helix	trans	-74.8	-48	174	179.5	170.2	-156.3	0	0	110.3	N538 L542 L543 N544 I642 K674	N538-E540 PolarHBondContact O-N 3.02Å; N538-E540 PolarHBondContact OD1-N 2.61Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 2.97Å; E540-L543 PolarHBondContact O-N 2.94Å; E540-N544 WeakPolarHBondContact O-CB 3.48Å; E540-N544 PolarHBondContact O-N 3.45Å; E540-N544 PolarHBondContact O-ND2 2.94Å; E540-I642 HydrophobicContact CB-CD1 3.98Å; E540-K674 IonicContact OE1-NZ 3.26Å; E540-K674 PolarHBondContact OE1-NZ 2.85Å; E540-K674 IonicContact OE2-NZ 3.77Å; E540-K674 PolarHBondContact OE2-NZ 3.11Å
541	G	96.8	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.5	-37.5	177	0	0	0	0	0	113.3	G532 S535 N538 L545	G532-G541 WeakPolarHBondContact O-CA 3.28Å; S535-G541 PolarHBondContact N-O 3.01Å; S535-G541 CarbonylContact O-C 3.45Å; N538-G541 PolarHBondContact O-N 3.12Å; N538-G541 PolarHBondContact OD1-N 3.38Å; G541-L545 WeakPolarHBondContact O-CB 3.45Å; G541-L545 PolarHBondContact O-N 3.17Å
542	L	97.6	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-75.5	-40.5	-179.1	175.6	61.6	0	0	0	111.4	S535 R536 N538 E540 L545 V546 E622 Y623 R626 W653	S535-L542 VanDerWaalsContact O-CA 3.24Å; S535-L542 WeakPolarHBondContact O-CA 3.36Å; S535-L542 PolarHBondContact O-N 3.32Å; R536-L542 HydrophobicContact CG-CD1 4.42Å; N538-L542 WeakPolarHBondContact O-CB 3.27Å; N538-L542 PolarHBondContact O-N 2.77Å; E540-L542 VanDerWaalsContact C-N 3.27Å; E540-L542 PolarHBondContact O-N 2.97Å; L542-L545 PolarHBondContact O-N 2.8Å; L542-V546 HydrophobicContact CD1-CG2 4.23Å; L542-V546 PolarHBondContact O-N 2.85Å; L542-E622 HydrophobicContact CD1-CB 4.03Å; L542-E622 HydrophobicContact CD1-CG 3.91Å; L542-E622 HydrophobicContact CD2-CB 4.44Å; L542-E622 HydrophobicContact CD2-CG 3.7Å; L542-E622 HydrophobicContact CG-CG 4.48Å; L542-Y623 HydrophobicContact CD2-CD2 4.36Å; L542-Y623 HydrophobicContact CG-CD2 4.22Å; L542-R626 HydrophobicContact CD2-CB 4.27Å; L542-R626 HydrophobicContact CD2-CG 3.87Å; L542-W653 HydrophobicContact CB-CZ3 4.27Å; L542-W653 HydrophobicContact CD2-CE3 3.96Å; L542-W653 HydrophobicContact CD2-CZ3 3.73Å
543	L	97.3	Very high	94.2	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-64.5	-45	176	-178.2	64.7	0	0	0	111.3	P539 E540 L545 W547 Y623 Y639 I642 Y654 L659 M667	P539-L543 VanDerWaalsContact O-CB 3.27Å; P539-L543 WeakPolarHBondContact O-CB 3.12Å; P539-L543 PolarHBondContact O-N 3.33Å; E540-L543 PolarHBondContact O-N 2.94Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-W547 VanDerWaalsContact O-CB 3.24Å; L543-W547 WeakPolarHBondContact O-CB 3.45Å; L543-W547 PolarHBondContact O-N 2.68Å; L543-Y623 HydrophobicContact CD1-CE2 4.04Å; L543-Y639 HydrophobicContact CD1-CD1 4.08Å; L543-I642 HydrophobicContact CD2-CD1 3.84Å; L543-I642 HydrophobicContact CD2-CG1 3.87Å; L543-Y654 HydrophobicContact CB-CE1 4.16Å; L543-Y654 HydrophobicContact CD1-CE1 4.44Å; L543-Y654 HydrophobicContact CD2-CE1 4.41Å; L543-L659 HydrophobicContact CD1-CD2 4.36Å; L543-L659 HydrophobicContact CD2-CD1 4.32Å; L543-L659 HydrophobicContact CD2-CD2 3.9Å; L543-L659 HydrophobicContact CG-CD2 4.36Å; L543-M667 HydrophobicContact CG-CE 4.46Å
544	N	97.2	Very high	93.7	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.048	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-43.3	173.9	-68.8	-14.6	0	0	0	111.8	L533 L534 E540 L548 M667 M671	L533-N544 VanDerWaalsContact O-CB 3.24Å; L533-N544 WeakPolarHBondContact O-CB 3.35Å; L533-N544 PolarHBondContact O-ND2 2.78Å; L534-N544 HydrophobicContact CD2-CB 3.94Å; E540-N544 WeakPolarHBondContact O-CB 3.48Å; E540-N544 PolarHBondContact O-N 3.45Å; E540-N544 PolarHBondContact O-ND2 2.94Å; N544-L548 VanDerWaalsContact O-CB 3.25Å; N544-L548 WeakPolarHBondContact O-CB 3.37Å; N544-L548 PolarHBondContact O-N 3.44Å; N544-M667 HydrophobicContact CB-CE 4.44Å; N544-M667 VanDerWaalsContact OD1-CE 3.31Å; N544-M667 WeakPolarHBondContact OD1-CE 3.34Å; N544-M671 HydrophobicContact CB-SD 4.3Å
545	L	95.8	Very high	93	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-49.3	-178.1	176.8	54.2	0	0	0	112.3	R529 L534 R536 G541 L542 L543 L548 N549 D619	R529-L545 VanDerWaalsContact NH2-CD1 3.29Å; L534-L545 HydrophobicContact CB-CD1 4.46Å; L534-L545 HydrophobicContact CD2-CB 4.3Å; R536-L545 HydrophobicContact CG-CD2 4.43Å; G541-L545 WeakPolarHBondContact O-CB 3.45Å; G541-L545 PolarHBondContact O-N 3.17Å; L542-L545 PolarHBondContact O-N 2.8Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L545-L548 PolarHBondContact O-N 2.86Å; L545-N549 WeakPolarHBondContact O-CB 3.39Å; L545-N549 PolarHBondContact O-N 3.33Å; L545-N549 PolarHBondContact O-ND2 3.45Å; L545-N549 PolarHBondContact O-OD1 3.39Å; L545-D619 WeakPolarHBondContact CD1-OD2 3.21Å; L545-D619 HydrophobicContact CD2-CB 4.24Å; L545-D619 VanDerWaalsContact CD2-CG 3.49Å; L545-D619 WeakPolarHBondContact CD2-OD1 3.4Å; L545-D619 HydrophobicContact CG-CB 4.08Å; L545-D619 WeakPolarHBondContact CG-OD2 3.28Å
546	V	96.1	Very high	92.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-39.2	177	174	0	0	0	0	111.6	L542 L548 N549 N550 D619 Y623 F638	L542-V546 HydrophobicContact CD1-CG2 4.23Å; L542-V546 PolarHBondContact O-N 2.85Å; V546-L548 PolarHBondContact O-N 3Å; V546-N549 PolarHBondContact O-N 3.47Å; V546-N550 VanDerWaalsContact O-CB 3.32Å; V546-N550 WeakPolarHBondContact O-CB 3.49Å; V546-N550 PolarHBondContact O-N 2.75Å; V546-N550 PolarHBondContact O-OD1 3.45Å; V546-D619 HydrophobicContact CG2-CB 4.01Å; V546-D619 VanDerWaalsContact CG2-O 3.29Å; V546-D619 WeakPolarHBondContact CG2-O 3.27Å; V546-Y623 HydrophobicContact CG1-CD1 4.31Å; V546-Y623 HydrophobicContact CG2-CG 4.3Å; V546-F638 HydrophobicContact CG1-CE1 3.83Å; V546-F638 HydrophobicContact CG1-CZ 4.18Å
547	W	95.5	Very high	91.3	Very high	9 Å²	9	27.9 Å²	27.9	3%	0.034	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-43.7	174.3	-179.1	92.4	0	0	0	112.3	L543 T551 Y639 M667 V668 N683 V686	L543-W547 VanDerWaalsContact O-CB 3.24Å; L543-W547 WeakPolarHBondContact O-CB 3.45Å; L543-W547 PolarHBondContact O-N 2.68Å; W547-T551 HydrophobicContact CH2-CG2 4.09Å; W547-T551 HydrophobicContact CZ2-CG2 4.28Å; W547-T551 WeakPolarHBondContact CZ2-OG1 3.39Å; W547-T551 VanDerWaalsContact O-CB 3.27Å; W547-T551 WeakPolarHBondContact O-CB 3.03Å; W547-T551 PolarHBondContact O-N 3.17Å; W547-T551 PolarHBondContact O-OG1 2.64Å; W547-Y639 HydrophobicContact CB-CD1 4.38Å; W547-Y639 HydrophobicContact CB-CE1 3.75Å; W547-Y639 AromaticContact CD1-CE1 3.83Å; W547-Y639 AromaticContact CD1-CE2 3.72Å; W547-Y639 AromaticContact CD1-CZ 3.54Å; W547-Y639 HydrophobicContact CG-CE1 4.2Å; W547-M667 HydrophobicContact CB-CE 3.5Å; W547-M667 HydrophobicContact CB-SD 4.02Å; W547-M667 VanDerWaalsContact CD1-SD 3.56Å; W547-M667 HydrophobicContact CD2-CB 4.46Å; W547-M667 HydrophobicContact CD2-CE 4.02Å; W547-M667 HydrophobicContact CD2-SD 3.78Å; W547-M667 HydrophobicContact CE3-CB 4.4Å; W547-M667 HydrophobicContact CE3-CE 4.36Å; W547-M667 HydrophobicContact CE3-SD 4.48Å; W547-M667 HydrophobicContact CG-CE 3.62Å; W547-M667 HydrophobicContact CG-SD 3.5Å; W547-V668 HydrophobicContact CH2-CG2 3.78Å; W547-V668 HydrophobicContact CZ3-CG2 3.52Å; W547-N683 HydrophobicContact CH2-CB 3.97Å; W547-N683 HydrophobicContact CZ2-CB 4.3Å; W547-N683 WeakPolarHBondContact CZ2-ND2 3.43Å; W547-V686 HydrophobicContact CZ3-CG2 4.25Å
548	L	93.9	Very high	90.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-46.3	178.2	179.1	63.2	0	0	0	111.3	L520 E525 L534 N544 L545 V546 T551 K552 M671 V686	L520-L548 HydrophobicContact CD2-CD1 3.96Å; L520-L548 HydrophobicContact CD2-CD2 4.46Å; E525-L548 HydrophobicContact CG-CD2 4.21Å; L534-L548 HydrophobicContact CD1-CD2 3.63Å; L534-L548 HydrophobicContact CD2-CB 4.33Å; L534-L548 HydrophobicContact CD2-CD2 3.77Å; L534-L548 HydrophobicContact CG-CD2 4.39Å; N544-L548 VanDerWaalsContact O-CB 3.25Å; N544-L548 WeakPolarHBondContact O-CB 3.37Å; N544-L548 PolarHBondContact O-N 3.44Å; L545-L548 PolarHBondContact O-N 2.86Å; V546-L548 PolarHBondContact O-N 3Å; L548-T551 PolarHBondContact O-N 2.89Å; L548-K552 HydrophobicContact CD1-CD 4.5Å; L548-K552 HydrophobicContact CD1-CG 4.43Å; L548-K552 HydrophobicContact CG-CD 4.43Å; L548-K552 WeakPolarHBondContact O-CB 3.42Å; L548-K552 WeakPolarHBondContact O-CG 3.23Å; L548-K552 PolarHBondContact O-N 2.98Å; L548-M671 HydrophobicContact CD2-CE 4.5Å; L548-V686 HydrophobicContact CD1-CB 4.38Å; L548-V686 HydrophobicContact CD1-CG1 3.86Å; L548-V686 HydrophobicContact CD1-CG2 3.53Å
549	N	91.6	Very high	88.7	Confident	21 Å²	21	27 Å²	27	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-50.5	177.4	-69.3	-15.4	0	0	0	111.3	L545 V546 T551 K552 A553 P616 D619	L545-N549 WeakPolarHBondContact O-CB 3.39Å; L545-N549 PolarHBondContact O-N 3.33Å; L545-N549 PolarHBondContact O-ND2 3.45Å; L545-N549 PolarHBondContact O-OD1 3.39Å; V546-N549 PolarHBondContact O-N 3.47Å; N549-T551 VanDerWaalsContact C-N 3.33Å; N549-T551 PolarHBondContact O-N 3Å; N549-K552 PolarHBondContact O-N 3.21Å; N549-A553 VanDerWaalsContact O-CB 3.26Å; N549-A553 WeakPolarHBondContact O-CB 3.08Å; N549-A553 PolarHBondContact O-N 3.31Å; N549-P616 HydrophobicContact CB-CB 4.07Å; N549-D619 PolarHBondContact ND2-OD2 3.46Å
550	N	91.6	Very high	87.9	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.011	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-40.4	178.2	-71.3	-0.8	0	0	0	111.9	V546 A553 F554 F560 I570 F638 Y639	V546-N550 VanDerWaalsContact O-CB 3.32Å; V546-N550 WeakPolarHBondContact O-CB 3.49Å; V546-N550 PolarHBondContact O-N 2.75Å; V546-N550 PolarHBondContact O-OD1 3.45Å; N550-A553 PolarHBondContact O-N 3.42Å; N550-F554 HydrophobicContact CB-CD2 4.24Å; N550-F554 PolarHBondContact O-N 2.76Å; N550-F560 HydrophobicContact CB-CZ 4.39Å; N550-I570 HydrophobicContact CB-CD1 4.32Å; N550-I570 WeakPolarHBondContact ND2-CD1 3.45Å; N550-F638 WeakPolarHBondContact ND2-CE1 3.48Å; N550-F638 VanDerWaalsContact ND2-CZ 3.32Å; N550-F638 WeakPolarHBondContact ND2-CZ 3.29Å; N550-Y639 VanDerWaalsContact CB-OH 3.32Å; N550-Y639 WeakPolarHBondContact CB-OH 3.4Å; N550-Y639 PolarHBondContact ND2-OH 3.19Å
551	T	89.6	Confident	86.9	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-39.2	179.3	-57.1	0	0	0	0	111.7	W547 L548 N549 G555 V686 Y687	W547-T551 HydrophobicContact CH2-CG2 4.09Å; W547-T551 HydrophobicContact CZ2-CG2 4.28Å; W547-T551 WeakPolarHBondContact CZ2-OG1 3.39Å; W547-T551 VanDerWaalsContact O-CB 3.27Å; W547-T551 WeakPolarHBondContact O-CB 3.03Å; W547-T551 PolarHBondContact O-N 3.17Å; W547-T551 PolarHBondContact O-OG1 2.64Å; L548-T551 PolarHBondContact O-N 2.89Å; N549-T551 VanDerWaalsContact C-N 3.33Å; N549-T551 PolarHBondContact O-N 3Å; T551-G555 VanDerWaalsContact O-CA 3.27Å; T551-G555 WeakPolarHBondContact O-CA 3.23Å; T551-G555 PolarHBondContact O-N 2.84Å; T551-V686 HydrophobicContact CG2-CB 4.32Å; T551-V686 HydrophobicContact CG2-CG1 3.94Å; T551-Y687 HydrophobicContact CG2-CE1 4.48Å; T551-Y687 HydrophobicContact CG2-CE2 3.87Å
552	K	86.9	Confident	85.9	Confident	67 Å²	67	31 Å²	31	29%	0.291	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-40.6	172.7	-76	-179.9	167.9	-169.6	0	112.7	E525 L548 N549 V686	E525-K552 VanDerWaalsContact OE1-CE 3.28Å; E525-K552 WeakPolarHBondContact OE1-CE 3.41Å; E525-K552 IonicContact OE1-NZ 2.83Å; E525-K552 PolarHBondContact OE1-NZ 3.39Å; E525-K552 IonicContact OE2-NZ 3.15Å; E525-K552 PolarHBondContact OE2-NZ 3.11Å; L548-K552 HydrophobicContact CD1-CD 4.5Å; L548-K552 HydrophobicContact CD1-CG 4.43Å; L548-K552 HydrophobicContact CG-CD 4.43Å; L548-K552 WeakPolarHBondContact O-CB 3.42Å; L548-K552 WeakPolarHBondContact O-CG 3.23Å; L548-K552 PolarHBondContact O-N 2.98Å; N549-K552 PolarHBondContact O-N 3.21Å; K552-V686 HydrophobicContact CG-CG1 3.66Å
553	A	84.6	Confident	85	Confident	22 Å²	22	33.9 Å²	33.9	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-76.4	-51.6	-175.1	0	0	0	0	0	113.3	N549 N550 H556 V605	N549-A553 VanDerWaalsContact O-CB 3.26Å; N549-A553 WeakPolarHBondContact O-CB 3.08Å; N549-A553 PolarHBondContact O-N 3.31Å; N550-A553 PolarHBondContact O-N 3.42Å; A553-H556 PolarHBondContact O-CE1 3.06Å; A553-H556 PolarHBondContact O-ND1 2.79Å; A553-V605 HydrophobicContact CB-CG2 3.23Å
554	F	85.2	Confident	84.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-115.9	-4.2	-165.5	-46.2	-56.7	0	0	0	112.9	N550 H556 C557 F560 I570 L582 W584 S603 V605	N550-F554 HydrophobicContact CB-CD2 4.24Å; N550-F554 PolarHBondContact O-N 2.76Å; F554-H556 PolarHBondContact O-N 3.42Å; F554-H556 VanDerWaalsContact O-N 3.07Å; F554-C557 VanDerWaalsContact CA-SG 3.59Å; F554-C557 VanDerWaalsContact O-CB 3.27Å; F554-C557 WeakPolarHBondContact O-CB 3.16Å; F554-C557 PolarHBondContact O-N 2.9Å; F554-C557 PolarHBondContact O-SG 3.34Å; F554-C557 VanDerWaalsContact O-SG 3.4Å; F554-F560 HydrophobicContact CB-CD2 3.63Å; F554-F560 HydrophobicContact CB-CE2 3.75Å; F554-F560 HydrophobicContact CB-CG 4.16Å; F554-F560 HydrophobicContact CB-CZ 4.36Å; F554-F560 HydrophobicContact CD2-CE2 4.44Å; F554-F560 WeakPolarHBondContact O-CB 3.29Å; F554-F560 WeakPolarHBondContact O-CG 3.33Å; F554-I570 HydrophobicContact CD2-CD1 3.72Å; F554-I570 HydrophobicContact CD2-CG1 4.21Å; F554-I570 HydrophobicContact CE2-CD1 3.81Å; F554-I570 HydrophobicContact CE2-CG1 4.13Å; F554-I570 HydrophobicContact CE2-CG2 3.92Å; F554-I570 HydrophobicContact CZ-CG2 4.31Å; F554-L582 HydrophobicContact CZ-CB 4.04Å; F554-W584 HydrophobicContact CD1-CB 3.68Å; F554-W584 HydrophobicContact CE1-CB 4.05Å; F554-W584 HydrophobicContact CG-CB 4.16Å; F554-S603 VanDerWaalsContact CE1-O 3.29Å; F554-S603 WeakPolarHBondContact CE1-O 3.37Å; F554-V605 HydrophobicContact CE1-CG2 3.72Å; F554-V605 HydrophobicContact CE2-CG2 4.33Å; F554-V605 HydrophobicContact CZ-CB 4.47Å; F554-V605 HydrophobicContact CZ-CG2 3.53Å
555	G	82.6	Confident	84.2	Confident	17 Å²	17	37.7 Å²	37.7	18%	0.175	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19	-179.8	0	0	0	0	0	115	T551 Y687	T551-G555 VanDerWaalsContact O-CA 3.27Å; T551-G555 WeakPolarHBondContact O-CA 3.23Å; T551-G555 PolarHBondContact O-N 2.84Å; G555-Y687 WeakPolarHBondContact O-CE1 3.5Å
556	H	76.5	Confident	84.1	Confident	135 Å²	135	41.1 Å²	41.1	63%	0.625	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.9	176	71.9	-87.5	0	0	0	113.3	A553 F554	A553-H556 PolarHBondContact O-CE1 3.06Å; A553-H556 PolarHBondContact O-ND1 2.79Å; F554-H556 PolarHBondContact O-N 3.42Å; F554-H556 VanDerWaalsContact O-N 3.07Å
557	C	76.6	Confident	84.1	Confident	15 Å²	15	42.3 Å²	42.3	10%	0.101	24%	0.244	C	C	.	.	S	Bend	trans	-79	133.4	-178.3	-54.2	0	0	0	0	110.4	F554 G559 F560 W584 S603	F554-C557 VanDerWaalsContact CA-SG 3.59Å; F554-C557 VanDerWaalsContact O-CB 3.27Å; F554-C557 WeakPolarHBondContact O-CB 3.16Å; F554-C557 PolarHBondContact O-N 2.9Å; F554-C557 PolarHBondContact O-SG 3.34Å; F554-C557 VanDerWaalsContact O-SG 3.4Å; C557-G559 PolarHBondContact O-N 2.87Å; C557-F560 HydrophobicContact CB-CB 4.32Å; C557-F560 WeakPolarHBondContact O-CB 3.5Å; C557-F560 PolarHBondContact O-N 3.39Å; C557-W584 HydrophobicContact CB-CG 4.35Å; C557-S603 WeakPolarHBondContact SG-CB 3.48Å; C557-S603 PolarHBondContact SG-OG 2.87Å
558	T	68.7	Low	84	Confident	139 Å²	139	42.1 Å²	42.1	85%	0.853	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	133.5	173.6	-50	0	0	0	0	110.6	F560	T558-F560 VanDerWaalsContact C-N 3.29Å; T558-F560 PolarHBondContact O-N 3.23Å
559	G	67.1	Low	83.9	Confident	45 Å²	45	43.8 Å²	43.8	46%	0.464	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-5.8	-178.6	0	0	0	0	0	115.8	C557 H561	C557-G559 PolarHBondContact O-N 2.87Å; G559-H561 PolarHBondContact O-N 2.99Å; G559-H561 PolarHBondContact O-ND1 3.38Å
560	F	78	Confident	84	Confident	19 Å²	19	42.8 Å²	42.8	8%	0.083	25%	0.248	C	C	.	.			trans	-68.1	92.9	177.1	-177.8	-95.2	0	0	0	112	N550 F554 C557 T558 L565 I570 W584	N550-F560 HydrophobicContact CB-CZ 4.39Å; F554-F560 HydrophobicContact CB-CD2 3.63Å; F554-F560 HydrophobicContact CB-CE2 3.75Å; F554-F560 HydrophobicContact CB-CG 4.16Å; F554-F560 HydrophobicContact CB-CZ 4.36Å; F554-F560 HydrophobicContact CD2-CE2 4.44Å; F554-F560 WeakPolarHBondContact O-CB 3.29Å; F554-F560 WeakPolarHBondContact O-CG 3.33Å; C557-F560 HydrophobicContact CB-CB 4.32Å; C557-F560 WeakPolarHBondContact O-CB 3.5Å; C557-F560 PolarHBondContact O-N 3.39Å; T558-F560 VanDerWaalsContact C-N 3.29Å; T558-F560 PolarHBondContact O-N 3.23Å; F560-L565 HydrophobicContact CD2-CD1 4.16Å; F560-L565 HydrophobicContact CE2-CD1 3.87Å; F560-L565 HydrophobicContact CE2-CD2 4.01Å; F560-L565 HydrophobicContact CZ-CD2 4.32Å; F560-I570 HydrophobicContact CE2-CD1 4.38Å; F560-W584 HydrophobicContact CB-CH2 4.45Å; F560-W584 HydrophobicContact CB-CZ2 4.21Å; F560-W584 HydrophobicContact CD2-CD2 4.5Å; F560-W584 HydrophobicContact CD2-CE3 4.08Å; F560-W584 HydrophobicContact CD2-CH2 4.16Å; F560-W584 AromaticContact CD2-CZ3 3.9Å; F560-W584 HydrophobicContact CD2-CZ3 3.9Å
561	H	75.4	Confident	84	Confident	119 Å²	119	46.5 Å²	46.5	55%	0.551	26%	0.262	S	S	*	.			trans	-105	91.7	177.2	-70.7	85.2	0	0	0	109.8	G559 S563 T564 L565	G559-H561 PolarHBondContact O-N 2.99Å; G559-H561 PolarHBondContact O-ND1 3.38Å; H561-S563 PolarHBondContact O-N 3.33Å; H561-T564 WeakPolarHBondContact CB-OG1 3.21Å; H561-T564 PolarHBondContact O-N 3.33Å; H561-T564 PolarHBondContact O-OG1 2.87Å; H561-L565 PolarHBondContact O-N 3.39Å
562	G	75.4	Confident	84.3	Confident	18 Å²	18	49.4 Å²	49.4	19%	0.186	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-2.7	-179.2	0	0	0	0	0	116.5	Y639	G562-Y639 WeakPolarHBondContact O-CD2 3.47Å; G562-Y639 WeakPolarHBondContact O-CE2 3.48Å
563	S	79.1	Confident	84.6	Confident	60 Å²	60	51 Å²	51	42%	0.42	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-6.2	172.6	81.3	0	0	0	0	116	H561	H561-S563 PolarHBondContact O-N 3.33Å
564	T	85.8	Confident	85.1	Confident	89 Å²	89	53.8 Å²	53.8	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-4.8	173.8	52.1	0	0	0	0	113	H561 K566	H561-T564 WeakPolarHBondContact CB-OG1 3.21Å; H561-T564 PolarHBondContact O-N 3.33Å; H561-T564 PolarHBondContact O-OG1 2.87Å; T564-K566 PolarHBondContact O-N 3.24Å
565	L	91.4	Very high	85.3	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	31%	0.307	C	S	.	.			trans	-43.5	125.7	174	-171.1	70.3	0	0	0	112.7	F560 H561 D569 I570 W584 F638 Y639	F560-L565 HydrophobicContact CD2-CD1 4.16Å; F560-L565 HydrophobicContact CE2-CD1 3.87Å; F560-L565 HydrophobicContact CE2-CD2 4.01Å; F560-L565 HydrophobicContact CZ-CD2 4.32Å; H561-L565 PolarHBondContact O-N 3.39Å; L565-D569 HydrophobicContact CD1-CB 4Å; L565-I570 HydrophobicContact CD1-CD1 4.23Å; L565-I570 HydrophobicContact CD1-CG1 4.39Å; L565-I570 HydrophobicContact CD2-CD1 3.94Å; L565-W584 HydrophobicContact CD1-CE3 4.36Å; L565-W584 HydrophobicContact CD1-CH2 4.16Å; L565-W584 HydrophobicContact CD1-CZ3 3.45Å; L565-W584 VanDerWaalsContact CD1-CZ3 3.45Å; L565-F638 HydrophobicContact CB-CB 4.02Å; L565-F638 HydrophobicContact CD2-CB 3.71Å; L565-F638 HydrophobicContact CD2-CD1 3.9Å; L565-F638 HydrophobicContact CD2-CD2 4.06Å; L565-F638 HydrophobicContact CD2-CG 3.59Å; L565-F638 HydrophobicContact CG-CB 3.59Å; L565-F638 HydrophobicContact CG-CD2 4.24Å; L565-F638 HydrophobicContact CG-CG 3.92Å; L565-F638 VanDerWaalsContact O-CB 3.23Å; L565-F638 WeakPolarHBondContact O-CB 3.38Å; L565-F638 PolarHBondContact O-N 3.29Å; L565-Y639 HydrophobicContact CB-CE2 4.49Å; L565-Y639 HydrophobicContact CD2-CD2 4.37Å; L565-Y639 HydrophobicContact CD2-CE2 3.5Å
566	K	94.5	Very high	85.6	Confident	72 Å²	72	64.9 Å²	64.9	31%	0.313	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-99.5	164.6	175.2	-48.9	166.3	170.3	-172.2	0	111.2	T564 D569 E634 D635 A636 F638	T564-K566 PolarHBondContact O-N 3.24Å; K566-D569 WeakPolarHBondContact CB-OD1 3.49Å; K566-D569 WeakPolarHBondContact CB-OD2 3.45Å; K566-D569 PolarHBondContact N-OD2 3.35Å; K566-D569 PolarHBondContact O-N 2.96Å; K566-E634 WeakPolarHBondContact CB-O 3.3Å; K566-D635 WeakPolarHBondContact CE-OD1 3.24Å; K566-D635 IonicContact NZ-OD1 2.77Å; K566-D635 PolarHBondContact NZ-OD1 2.89Å; K566-A636 CarbonylContact C-O 3.58Å; K566-A636 WeakPolarHBondContact CA-O 3.42Å; K566-F638 WeakPolarHBondContact O-CD2 3.2Å
567	W	95.7	Very high	86.2	Confident	27 Å²	27	64.4 Å²	64.4	10%	0.102	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-67.2	-36.4	-178.1	-175	-113.6	0	0	0	112.8	D569 Y620 Y623 A624 R627 R632 E634 A636 F638	W567-D569 VanDerWaalsContact C-N 3.28Å; W567-D569 PolarHBondContact O-N 3.42Å; W567-Y620 HydrophobicContact CH2-CD2 4.49Å; W567-Y620 HydrophobicContact CH2-CE1 4.3Å; W567-Y620 AromaticContact CH2-CE2 3.72Å; W567-Y620 HydrophobicContact CH2-CE2 3.72Å; W567-Y620 AromaticContact CH2-CZ 3.6Å; W567-Y620 HydrophobicContact CZ2-CE2 4.47Å; W567-Y620 AromaticContact CZ2-CZ 3.95Å; W567-Y620 WeakPolarHBondContact CZ2-OH 3.21Å; W567-Y620 AromaticContact CZ3-CE2 3.91Å; W567-Y620 HydrophobicContact CZ3-CE2 3.91Å; W567-Y623 HydrophobicContact CZ3-CD1 4.04Å; W567-Y623 HydrophobicContact CZ3-CE1 4.21Å; W567-A624 HydrophobicContact CH2-CB 3.72Å; W567-A624 HydrophobicContact CZ2-CB 3.82Å; W567-R627 VanDerWaalsContact CH2-CD 3.48Å; W567-R627 VanDerWaalsContact CZ3-CD 3.47Å; W567-R632 VanDerWaalsContact CD1-O 3.28Å; W567-R632 PolarHBondContact NE1-O 2.89Å; W567-E634 PolarHBondContact N-O 2.75Å; W567-A636 HydrophobicContact CB-CB 4.14Å; W567-A636 WeakPolarHBondContact CB-O 3.38Å; W567-A636 PolarHBondContact N-O 2.75Å; W567-F638 AromaticContact CE3-CD2 3.75Å; W567-F638 HydrophobicContact CE3-CD2 3.75Å; W567-F638 AromaticContact CE3-CE2 3.65Å; W567-F638 HydrophobicContact CE3-CE2 3.65Å; W567-F638 HydrophobicContact CE3-CG 4.35Å; W567-F638 HydrophobicContact CE3-CZ 4.19Å; W567-F638 HydrophobicContact CZ3-CD2 4.21Å; W567-F638 HydrophobicContact CZ3-CE1 4.45Å; W567-F638 AromaticContact CZ3-CE2 3.66Å; W567-F638 HydrophobicContact CZ3-CE2 3.66Å; W567-F638 AromaticContact CZ3-CZ 3.8Å; W567-F638 HydrophobicContact CZ3-CZ 3.8Å
568	G	93.3	Very high	86.7	Confident	6 Å²	6	65.8 Å²	65.8	6%	0.062	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-75	-10.9	177.3	0	0	0	0	0	115.2	R571 E634	G568-R571 WeakPolarHBondContact O-CG 3.46Å; G568-R571 PolarHBondContact O-NE 3.24Å; G568-R571 PolarHBondContact O-NH2 2.97Å; G568-E634 PolarHBondContact N-O 2.73Å
569	D	92.6	Very high	87.7	Confident	34 Å²	34	61.4 Å²	61.4	18%	0.182	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-79.1	-19.7	-177.8	-51.1	-16	0	0	0	112.4	L565 K566 W567 W584 M585	L565-D569 HydrophobicContact CD1-CB 4Å; K566-D569 WeakPolarHBondContact CB-OD1 3.49Å; K566-D569 WeakPolarHBondContact CB-OD2 3.45Å; K566-D569 PolarHBondContact N-OD2 3.35Å; K566-D569 PolarHBondContact O-N 2.96Å; W567-D569 VanDerWaalsContact C-N 3.28Å; W567-D569 PolarHBondContact O-N 3.42Å; D569-W584 HydrophobicContact CB-CE3 4.18Å; D569-W584 HydrophobicContact CB-CH2 4.27Å; D569-W584 HydrophobicContact CB-CZ3 3.53Å; D569-W584 VanDerWaalsContact O-CE3 3.31Å; D569-M585 PolarHBondContact O-N 3.38Å
570	I	93.4	Very high	89	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	109.6	173.3	-61.5	172.2	0	0	0	108.1	N550 F554 F560 L565 L582 E583 W584 Y620 F638	N550-I570 HydrophobicContact CB-CD1 4.32Å; N550-I570 WeakPolarHBondContact ND2-CD1 3.45Å; F554-I570 HydrophobicContact CD2-CD1 3.72Å; F554-I570 HydrophobicContact CD2-CG1 4.21Å; F554-I570 HydrophobicContact CE2-CD1 3.81Å; F554-I570 HydrophobicContact CE2-CG1 4.13Å; F554-I570 HydrophobicContact CE2-CG2 3.92Å; F554-I570 HydrophobicContact CZ-CG2 4.31Å; F560-I570 HydrophobicContact CE2-CD1 4.38Å; L565-I570 HydrophobicContact CD1-CD1 4.23Å; L565-I570 HydrophobicContact CD1-CG1 4.39Å; L565-I570 HydrophobicContact CD2-CD1 3.94Å; I570-L582 HydrophobicContact CG2-CB 4.05Å; I570-L582 HydrophobicContact CG2-CD1 4.48Å; I570-E583 WeakPolarHBondContact CA-O 3.45Å; I570-W584 HydrophobicContact CG1-CE3 4.12Å; I570-Y620 HydrophobicContact CG2-CE2 4.29Å; I570-Y620 PolarHBondContact O-OH 3.25Å; I570-F638 HydrophobicContact CB-CE2 3.97Å; I570-F638 HydrophobicContact CD1-CD2 4.39Å; I570-F638 HydrophobicContact CD1-CE2 4.04Å; I570-F638 HydrophobicContact CD1-CZ 4.37Å; I570-F638 HydrophobicContact CG1-CE2 4.43Å
571	R	92.8	Very high	89.7	Confident	81 Å²	81	61.6 Å²	61.6	31%	0.306	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.2	-175.2	-62.4	-174.4	-167.2	-132.9	-4.7	111.5	G568 L582 E583 M585 E634	G568-R571 WeakPolarHBondContact O-CG 3.46Å; G568-R571 PolarHBondContact O-NE 3.24Å; G568-R571 PolarHBondContact O-NH2 2.97Å; R571-L582 CarbonylContact O-C 3.58Å; R571-L582 WeakPolarHBondContact O-CA 3.03Å; R571-E583 PolarHBondContact N-O 2.83Å; R571-E583 PolarHBondContact O-N 3.46Å; R571-M585 HydrophobicContact CB-CG 4.16Å; R571-M585 HydrophobicContact CG-CG 3.67Å; R571-E634 IonicContact CZ-OE1 3.27Å; R571-E634 VanDerWaalsContact CZ-OE1 3.3Å; R571-E634 IonicContact CZ-OE2 2.72Å; R571-E634 IonicContact NH1-OE1 3.26Å; R571-E634 PolarHBondContact NH1-OE1 2.95Å; R571-E634 IonicContact NH1-OE2 3.3Å; R571-E634 IonicContact NH2-OE1 2.63Å; R571-E634 PolarHBondContact NH2-OE1 3.13Å; R571-E634 IonicContact NH2-OE2 2.87Å; R571-E634 PolarHBondContact NH2-OE2 2.94Å
572	L	94.9	Very high	90.5	Very high	64 Å²	64	56 Å²	56	34%	0.335	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.5	165.4	177.5	65.2	0	0	0	108.9	E580 Y581 L582 V617 Y620 K621	L572-E580 HydrophobicContact CD1-CB 4.34Å; L572-Y581 WeakPolarHBondContact CA-O 3.38Å; L572-L582 HydrophobicContact CB-CD2 4.21Å; L572-L582 HydrophobicContact CD1-CD2 3.98Å; L572-V617 HydrophobicContact CD1-CG1 3.74Å; L572-Y620 HydrophobicContact CB-CE1 3.91Å; L572-K621 HydrophobicContact CD2-CG 4.25Å
573	R	93.6	Very high	91.3	Very high	100 Å²	100	56 Å²	56	38%	0.377	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	173.1	174.9	-65.3	-165.9	-168.1	-111.3	23.9	110.7	E580 Y581 E583 M585	R573-E580 CarbonylContact O-C 3.57Å; R573-E580 WeakPolarHBondContact O-CA 3.2Å; R573-Y581 HydrophobicContact CB-CD1 4.18Å; R573-Y581 HydrophobicContact CB-CD2 4.26Å; R573-Y581 HydrophobicContact CB-CE1 3.7Å; R573-Y581 HydrophobicContact CB-CE2 3.79Å; R573-Y581 HydrophobicContact CB-CG 4.45Å; R573-Y581 VanDerWaalsContact CB-CZ 3.5Å; R573-Y581 WeakPolarHBondContact CD-OH 3.33Å; R573-Y581 HydrophobicContact CG-CE2 4.34Å; R573-Y581 PolarHBondContact N-O 3.43Å; R573-Y581 PolarHBondContact O-N 2.73Å; R573-E583 IonicContact CZ-OE2 3.84Å; R573-E583 IonicContact NE-OE2 3.19Å; R573-E583 PolarHBondContact NE-OE2 3.23Å; R573-E583 IonicContact NH2-OE2 2.76Å; R573-E583 PolarHBondContact NH2-OE2 2.89Å; R573-M585 PolarHBondContact NH2-SD 2.88Å
574	V	94	Very high	91.8	Very high	82 Å²	82	54.8 Å²	54.8	50%	0.497	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.4	175.6	-164.5	0	0	0	0	107.9	G578 L579 E580	V574-G578 VanDerWaalsContact CG1-C 3.41Å; V574-L579 WeakPolarHBondContact CA-O 3.33Å; V574-E580 HydrophobicContact CG1-CG 4.49Å; V574-E580 HydrophobicContact CG2-CG 4.3Å
575	T	89.3	Confident	91.7	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.233	27%	0.274	C	S	.	.			trans	-75.2	167	171.4	60.5	0	0	0	0	111.4	T577 G578 L579 Y581 Y606	T575-T577 PolarHBondContact O-N 2.96Å; T575-T577 PolarHBondContact OG1-N 3.16Å; T575-T577 PolarHBondContact OG1-OG1 2.94Å; T575-G578 PolarHBondContact O-N 3.03Å; T575-G578 PolarHBondContact OG1-N 2.94Å; T575-L579 HydrophobicContact CG2-CB 4.41Å; T575-L579 PolarHBondContact N-O 3.14Å; T575-L579 WeakPolarHBondContact OG1-CB 3.4Å; T575-L579 PolarHBondContact OG1-N 3.34Å; T575-L579 PolarHBondContact OG1-O 3.28Å; T575-Y581 HydrophobicContact CG2-CD1 3.93Å; T575-Y581 HydrophobicContact CG2-CE1 3.75Å; T575-Y606 HydrophobicContact CG2-CE1 4.16Å
576	E	90.6	Very high	90.7	Very high	212 Å²	212	54.6 Å²	54.6	99%	0.991	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.9	168.5	-63.9	169	-167.7	0	0	112.4	G578	E576-G578 VanDerWaalsContact C-N 3.26Å; E576-G578 PolarHBondContact O-N 3.28Å
577	T	87.6	Confident	89.1	Confident	125 Å²	125	59.2 Å²	59.2	77%	0.767	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	7.6	175.5	52.5	0	0	0	0	114.5	T575 L579	T575-T577 PolarHBondContact O-N 2.96Å; T575-T577 PolarHBondContact OG1-N 3.16Å; T575-T577 PolarHBondContact OG1-OG1 2.94Å; T577-L579 VanDerWaalsContact C-N 3.28Å; T577-L579 PolarHBondContact O-N 3.24Å
578	G	88.4	Confident	86.8	Confident	44 Å²	44	65.6 Å²	65.6	45%	0.454	34%	0.344	S	S	.	.	S	Bend	trans	76.2	7.9	179.4	0	0	0	0	0	115.1	V574 T575 E576	V574-G578 VanDerWaalsContact CG1-C 3.41Å; T575-G578 PolarHBondContact O-N 3.03Å; T575-G578 PolarHBondContact OG1-N 2.94Å; E576-G578 VanDerWaalsContact C-N 3.26Å; E576-G578 PolarHBondContact O-N 3.28Å
579	L	89.6	Confident	84.4	Confident	47 Å²	47	71.1 Å²	71.1	25%	0.246	38%	0.377	C	S	.	.			trans	-83.7	118.6	179.3	-176.6	61.5	0	0	0	110.5	V574 T575 T577 Y606 A607 Q609	V574-L579 WeakPolarHBondContact CA-O 3.33Å; T575-L579 HydrophobicContact CG2-CB 4.41Å; T575-L579 PolarHBondContact N-O 3.14Å; T575-L579 WeakPolarHBondContact OG1-CB 3.4Å; T575-L579 PolarHBondContact OG1-N 3.34Å; T575-L579 PolarHBondContact OG1-O 3.28Å; T577-L579 VanDerWaalsContact C-N 3.28Å; T577-L579 PolarHBondContact O-N 3.24Å; L579-Y606 HydrophobicContact CD2-CD1 3.76Å; L579-Y606 HydrophobicContact CD2-CG 4.23Å; L579-Y606 HydrophobicContact CG-CD1 4.12Å; L579-A607 HydrophobicContact CD1-CB 4.38Å; L579-Q609 HydrophobicContact CD1-CG 4.36Å
580	E	94.3	Very high	81.9	Confident	49 Å²	49	72.8 Å²	72.8	23%	0.229	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.3	178.8	-51.8	-169.3	113.1	0	0	112.1	L572 R573 V574 A607 V617 K621	L572-E580 HydrophobicContact CD1-CB 4.34Å; R573-E580 CarbonylContact O-C 3.57Å; R573-E580 WeakPolarHBondContact O-CA 3.2Å; V574-E580 HydrophobicContact CG1-CG 4.49Å; V574-E580 HydrophobicContact CG2-CG 4.3Å; E580-A607 HydrophobicContact CB-CB 4.14Å; E580-A607 WeakPolarHBondContact O-CB 3.22Å; E580-A607 PolarHBondContact O-N 2.92Å; E580-V617 HydrophobicContact CB-CG1 4Å; E580-K621 WeakPolarHBondContact OE1-CE 3.22Å; E580-K621 IonicContact OE1-NZ 3.22Å; E580-K621 PolarHBondContact OE1-NZ 3.18Å; E580-K621 WeakPolarHBondContact OE2-CE 3.45Å; E580-K621 IonicContact OE2-NZ 2.75Å; E580-K621 PolarHBondContact OE2-NZ 3.23Å
581	Y	91.8	Very high	79.1	Confident	19 Å²	19	79.2 Å²	79.2	8%	0.075	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.2	175.5	65.6	-84	0	0	0	113.1	L572 R573 T575 E583 R604 V605 Y606	L572-Y581 WeakPolarHBondContact CA-O 3.38Å; R573-Y581 HydrophobicContact CB-CD1 4.18Å; R573-Y581 HydrophobicContact CB-CD2 4.26Å; R573-Y581 HydrophobicContact CB-CE1 3.7Å; R573-Y581 HydrophobicContact CB-CE2 3.79Å; R573-Y581 HydrophobicContact CB-CG 4.45Å; R573-Y581 VanDerWaalsContact CB-CZ 3.5Å; R573-Y581 WeakPolarHBondContact CD-OH 3.33Å; R573-Y581 HydrophobicContact CG-CE2 4.34Å; R573-Y581 PolarHBondContact N-O 3.43Å; R573-Y581 PolarHBondContact O-N 2.73Å; T575-Y581 HydrophobicContact CG2-CD1 3.93Å; T575-Y581 HydrophobicContact CG2-CE1 3.75Å; Y581-E583 HydrophobicContact CD2-CB 4.15Å; Y581-E583 HydrophobicContact CE2-CB 3.92Å; Y581-E583 HydrophobicContact CE2-CG 4.43Å; Y581-R604 HydrophobicContact CD2-CB 4.02Å; Y581-R604 HydrophobicContact CD2-CG 3.67Å; Y581-R604 VanDerWaalsContact CE2-CD 3.43Å; Y581-R604 HydrophobicContact CE2-CG 3.72Å; Y581-R604 VanDerWaalsContact CE2-NE 3.28Å; Y581-V605 CarbonylContact C-O 3.43Å; Y581-V605 WeakPolarHBondContact CA-O 3.4Å; Y581-V605 WeakPolarHBondContact CB-O 3.41Å; Y581-Y606 HydrophobicContact CD1-CD1 4.26Å; Y581-Y606 AromaticContact CD1-CE1 3.98Å; Y581-Y606 HydrophobicContact CD1-CE1 3.98Å; Y581-Y606 HydrophobicContact CG-CD1 4.12Å; Y581-Y606 AromaticContact CG-CE1 3.94Å; Y581-Y606 HydrophobicContact CG-CE1 3.94Å
582	L	93.5	Very high	76.9	Confident	2 Å²	2	83.6 Å²	83.6	1%	0.01	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.1	165.6	-53.2	-180	0	0	0	109.3	F554 I570 R571 L572 R604 V605 V617 Y620	F554-L582 HydrophobicContact CZ-CB 4.04Å; I570-L582 HydrophobicContact CG2-CB 4.05Å; I570-L582 HydrophobicContact CG2-CD1 4.48Å; R571-L582 CarbonylContact O-C 3.58Å; R571-L582 WeakPolarHBondContact O-CA 3.03Å; L572-L582 HydrophobicContact CB-CD2 4.21Å; L572-L582 HydrophobicContact CD1-CD2 3.98Å; L582-R604 CarbonylContact O-C 3.46Å; L582-R604 VanDerWaalsContact O-CA 3.23Å; L582-R604 WeakPolarHBondContact O-CA 3.3Å; L582-V605 HydrophobicContact CB-CB 4.37Å; L582-V605 PolarHBondContact N-O 3.31Å; L582-V605 PolarHBondContact O-N 2.96Å; L582-V617 HydrophobicContact CG-CG2 4.12Å; L582-Y620 HydrophobicContact CD1-CD2 4.01Å; L582-Y620 HydrophobicContact CD1-CG 3.95Å; L582-Y620 HydrophobicContact CD2-CD1 3.59Å; L582-Y620 HydrophobicContact CD2-CD2 3.91Å; L582-Y620 HydrophobicContact CD2-CE1 4.03Å; L582-Y620 HydrophobicContact CD2-CE2 4.3Å; L582-Y620 HydrophobicContact CD2-CG 3.54Å; L582-Y620 HydrophobicContact CG-CG 4.41Å
583	E	91.6	Very high	74.2	Confident	16 Å²	16	87.7 Å²	87.7	8%	0.075	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.4	177.6	-171.7	172.3	-98.7	0	0	111	I570 R571 R573 Y581 M585 R604	I570-E583 WeakPolarHBondContact CA-O 3.45Å; R571-E583 PolarHBondContact N-O 2.83Å; R571-E583 PolarHBondContact O-N 3.46Å; R573-E583 IonicContact CZ-OE2 3.84Å; R573-E583 IonicContact NE-OE2 3.19Å; R573-E583 PolarHBondContact NE-OE2 3.23Å; R573-E583 IonicContact NH2-OE2 2.76Å; R573-E583 PolarHBondContact NH2-OE2 2.89Å; Y581-E583 HydrophobicContact CD2-CB 4.15Å; Y581-E583 HydrophobicContact CE2-CB 3.92Å; Y581-E583 HydrophobicContact CE2-CG 4.43Å; E583-M585 HydrophobicContact CG-SD 4.22Å; E583-R604 HydrophobicContact CB-CG 4.31Å; E583-R604 HydrophobicContact CG-CG 4.07Å; E583-R604 IonicContact OE1-CZ 2.69Å; E583-R604 VanDerWaalsContact OE1-CZ 3.25Å; E583-R604 IonicContact OE1-NE 2.66Å; E583-R604 PolarHBondContact OE1-NE 2.93Å; E583-R604 IonicContact OE1-NH2 3.58Å; E583-R604 PolarHBondContact OE1-NH2 3.23Å
584	W	88.7	Confident	71.6	Confident	36 Å²	36	86.6 Å²	86.6	14%	0.136	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.4	170.1	169.8	-117.1	0	0	0	110.4	F554 C557 F560 L565 D569 I570 G586 S603	F554-W584 HydrophobicContact CD1-CB 3.68Å; F554-W584 HydrophobicContact CE1-CB 4.05Å; F554-W584 HydrophobicContact CG-CB 4.16Å; C557-W584 HydrophobicContact CB-CG 4.35Å; F560-W584 HydrophobicContact CB-CH2 4.45Å; F560-W584 HydrophobicContact CB-CZ2 4.21Å; F560-W584 HydrophobicContact CD2-CD2 4.5Å; F560-W584 HydrophobicContact CD2-CE3 4.08Å; F560-W584 HydrophobicContact CD2-CH2 4.16Å; F560-W584 AromaticContact CD2-CZ3 3.9Å; F560-W584 HydrophobicContact CD2-CZ3 3.9Å; L565-W584 HydrophobicContact CD1-CE3 4.36Å; L565-W584 HydrophobicContact CD1-CH2 4.16Å; L565-W584 HydrophobicContact CD1-CZ3 3.45Å; L565-W584 VanDerWaalsContact CD1-CZ3 3.45Å; D569-W584 HydrophobicContact CB-CE3 4.18Å; D569-W584 HydrophobicContact CB-CH2 4.27Å; D569-W584 HydrophobicContact CB-CZ3 3.53Å; D569-W584 VanDerWaalsContact O-CE3 3.31Å; I570-W584 HydrophobicContact CG1-CE3 4.12Å; W584-G586 VanDerWaalsContact C-N 3.3Å; W584-G586 VanDerWaalsContact CE2-CA 3.47Å; W584-G586 PolarHBondContact O-N 3.36Å; W584-S603 PolarHBondContact N-O 3.05Å
585	M	85.3	Confident	69.1	Low	65 Å²	65	92.6 Å²	92.6	32%	0.32	52%	0.519	S	S	.	.			trans	-94.7	53.8	178.6	-60.4	-61	-48	0	0	110.5	D569 R571 R573 E583	D569-M585 PolarHBondContact O-N 3.38Å; R571-M585 HydrophobicContact CB-CG 4.16Å; R571-M585 HydrophobicContact CG-CG 3.67Å; R573-M585 PolarHBondContact NH2-SD 2.88Å; E583-M585 HydrophobicContact CG-SD 4.22Å
586	G	68.9	Low	66.5	Low	28 Å²	28	96.1 Å²	96.1	29%	0.289	54%	0.541	S	S	.	.			trans	-54.4	147.4	-178.9	0	0	0	0	0	112.4	W584 D588	W584-G586 VanDerWaalsContact C-N 3.3Å; W584-G586 VanDerWaalsContact CE2-CA 3.47Å; W584-G586 PolarHBondContact O-N 3.36Å; G586-D588 PolarHBondContact O-N 3.39Å
587	Q	61	Low	64.2	Low	168 Å²	168	96.4 Å²	96.4	79%	0.785	54%	0.539	S	S	*	.			trans	-68.9	104.3	176.6	-71.9	-169.6	-48.7	0	0	110.4	T589	Q587-T589 PolarHBondContact O-N 2.99Å
588	D	48.8	Very low	61.7	Low	161 Å²	161	101 Å²	101	86%	0.861	54%	0.543	S	S	*	.			trans	-61	86.7	150.4	-79	-30.2	0	0	0	107.9	G586 G590	G586-D588 PolarHBondContact O-N 3.39Å; D588-G590 PolarHBondContact O-N 3.04Å
589	T	41.3	Very low	59.2	Low	122 Å²	122	102.4 Å²	102.4	75%	0.748	56%	0.556	S	S	*	*			trans	-62.3	103.7	165.1	35	0	0	0	0	107.4	Q587 D591	Q587-T589 PolarHBondContact O-N 2.99Å; T589-D591 PolarHBondContact O-N 3.43Å
590	G	41.3	Very low	56.8	Low	70 Å²	70	103.3 Å²	103.3	72%	0.722	58%	0.577	S	S	*	*			trans	-74.9	98.6	-150.5	0	0	0	0	0	115.8	D588	D588-G590 PolarHBondContact O-N 3.04Å
591	D	33.6	Very low	54.6	Low	134 Å²	134	106.6 Å²	106.6	72%	0.717	60%	0.601	S	S	*	*			trans	-92.3	91.9	158.9	-117.1	-38	0	0	0	110.2	T589 N593 A594	T589-D591 PolarHBondContact O-N 3.43Å; D591-N593 PolarHBondContact O-N 2.9Å; D591-A594 PolarHBondContact O-N 3.38Å
592	L	46.1	Very low	52.9	Low	173 Å²	173	110.6 Å²	110.6	91%	0.906	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-0.3	-176.8	-77.9	164.9	0	0	0	114.9
593	N	40.2	Very low	52.1	Low	150 Å²	150	111.7 Å²	111.7	80%	0.802	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	0.8	-179.6	-83.2	-40.7	0	0	0	114.9	D591 K595	D591-N593 PolarHBondContact O-N 2.9Å; N593-K595 VanDerWaalsContact C-N 3.27Å; N593-K595 PolarHBondContact O-N 3.34Å
594	A	37.1	Very low	51.9	Low	77 Å²	77	115 Å²	115	64%	0.636	64%	0.643	S	S	*	*			trans	-75.4	69.3	177.1	0	0	0	0	0	112.9	D591 T596	D591-A594 PolarHBondContact O-N 3.38Å; A594-T596 PolarHBondContact O-N 2.79Å
595	K	41.9	Very low	51.9	Low	208 Å²	208	114.7 Å²	114.7	90%	0.904	65%	0.645	S	S	*	*			trans	-72.3	42.9	172	-85.7	-170.3	176.5	178	0	113.8	N593	N593-K595 VanDerWaalsContact C-N 3.27Å; N593-K595 PolarHBondContact O-N 3.34Å
596	T	36	Very low	52.1	Low	113 Å²	113	115.2 Å²	115.2	69%	0.693	64%	0.644	S	S	*	*			trans	-124.3	74.5	174.3	-52.1	0	0	0	0	109	A594 R598	A594-T596 PolarHBondContact O-N 2.79Å; T596-R598 PolarHBondContact O-N 2.87Å
597	K	41.5	Very low	53.1	Low	217 Å²	217	114.4 Å²	114.4	94%	0.943	64%	0.635	S	S	*	*			trans	-68.8	68.6	166.7	-95.9	-164.8	171.4	-169.8	0	110.4	G599	K597-G599 PolarHBondContact O-N 3.06Å
598	R	34.9	Very low	54.3	Low	223 Å²	223	109.3 Å²	109.3	84%	0.842	62%	0.615	S	S	*	*			trans	-69.3	112.3	153.8	-165.8	-175.3	-60.1	-101.6	5.1	104.7	T596 G600	T596-R598 PolarHBondContact O-N 2.87Å; R598-G600 PolarHBondContact O-N 3.2Å
599	G	35.9	Very low	55.8	Low	72 Å²	72	108 Å²	108	74%	0.742	60%	0.604	S	S	*	*			trans	-54.9	108.2	-160.9	0	0	0	0	0	113.3	K597 T601	K597-G599 PolarHBondContact O-N 3.06Å; G599-T601 PolarHBondContact O-N 3.08Å
600	G	39.8	Very low	57.4	Low	66 Å²	66	111 Å²	111	68%	0.68	61%	0.609	S	S	*	*			trans	-63.1	123.4	169.1	0	0	0	0	0	109	R598 D602	R598-G600 PolarHBondContact O-N 3.2Å; G600-D602 PolarHBondContact O-N 3.32Å
601	T	46.7	Very low	59.1	Low	118 Å²	118	109.5 Å²	109.5	72%	0.724	59%	0.59	S	S	*	*			trans	-71.5	98.7	170.4	44.2	0	0	0	0	108.5	G599 S603	G599-T601 PolarHBondContact O-N 3.08Å; T601-S603 PolarHBondContact O-N 2.95Å; T601-S603 PolarHBondContact O-OG 3.16Å; T601-S603 VanDerWaalsContact O-OG 3.11Å
602	D	57.2	Low	61.2	Low	103 Å²	103	106.6 Å²	106.6	55%	0.551	58%	0.578	S	S	*	*			trans	-43.6	109.2	172.4	-74.5	-10	0	0	0	108.9	G600 R604	G600-D602 PolarHBondContact O-N 3.32Å; D602-R604 HydrophobicContact CB-CG 4.16Å; D602-R604 WeakPolarHBondContact O-CG 3.34Å; D602-R604 PolarHBondContact O-N 2.82Å; D602-R604 IonicContact OD2-CZ 3.62Å; D602-R604 VanDerWaalsContact OD2-CZ 3.23Å; D602-R604 IonicContact OD2-NE 2.61Å; D602-R604 IonicContact OD2-NH1 2.72Å; D602-R604 IonicContact OD2-NH2 2.68Å; D602-R604 PolarHBondContact OD2-NH2 2.97Å
603	S	77.4	Confident	62.7	Low	26 Å²	26	104.4 Å²	104.4	18%	0.182	56%	0.563	C	S	.	*			trans	-78.9	95.3	-167.5	-65.4	0	0	0	0	108.6	F554 C557 W584 T601	F554-S603 VanDerWaalsContact CE1-O 3.29Å; F554-S603 WeakPolarHBondContact CE1-O 3.37Å; C557-S603 WeakPolarHBondContact SG-CB 3.48Å; C557-S603 PolarHBondContact SG-OG 2.87Å; W584-S603 PolarHBondContact N-O 3.05Å; T601-S603 PolarHBondContact O-N 2.95Å; T601-S603 PolarHBondContact O-OG 3.16Å; T601-S603 VanDerWaalsContact O-OG 3.11Å
604	R	86.3	Confident	64.7	Low	85 Å²	85	100.5 Å²	100.5	32%	0.321	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148	-167	-69.7	177.4	177.7	159.3	11.2	113	Y581 L582 E583 D602 Y606	Y581-R604 HydrophobicContact CD2-CB 4.02Å; Y581-R604 HydrophobicContact CD2-CG 3.67Å; Y581-R604 VanDerWaalsContact CE2-CD 3.43Å; Y581-R604 HydrophobicContact CE2-CG 3.72Å; Y581-R604 VanDerWaalsContact CE2-NE 3.28Å; L582-R604 CarbonylContact O-C 3.46Å; L582-R604 VanDerWaalsContact O-CA 3.23Å; L582-R604 WeakPolarHBondContact O-CA 3.3Å; E583-R604 HydrophobicContact CB-CG 4.31Å; E583-R604 HydrophobicContact CG-CG 4.07Å; E583-R604 IonicContact OE1-CZ 2.69Å; E583-R604 VanDerWaalsContact OE1-CZ 3.25Å; E583-R604 IonicContact OE1-NE 2.66Å; E583-R604 PolarHBondContact OE1-NE 2.93Å; E583-R604 IonicContact OE1-NH2 3.58Å; E583-R604 PolarHBondContact OE1-NH2 3.23Å; D602-R604 HydrophobicContact CB-CG 4.16Å; D602-R604 WeakPolarHBondContact O-CG 3.34Å; D602-R604 PolarHBondContact O-N 2.82Å; D602-R604 IonicContact OD2-CZ 3.62Å; D602-R604 VanDerWaalsContact OD2-CZ 3.23Å; D602-R604 IonicContact OD2-NE 2.61Å; D602-R604 IonicContact OD2-NH1 2.72Å; D602-R604 IonicContact OD2-NH2 2.68Å; D602-R604 PolarHBondContact OD2-NH2 2.97Å; R604-Y606 HydrophobicContact CB-CE2 4.05Å; R604-Y606 VanDerWaalsContact CD-OH 3.29Å; R604-Y606 WeakPolarHBondContact CD-OH 3.49Å
605	V	88.1	Confident	67.2	Low	29 Å²	29	97 Å²	97	18%	0.176	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	106.8	176.9	-170.1	0	0	0	0	110.2	A553 F554 Y581 L582 P616	A553-V605 HydrophobicContact CB-CG2 3.23Å; F554-V605 HydrophobicContact CE1-CG2 3.72Å; F554-V605 HydrophobicContact CE2-CG2 4.33Å; F554-V605 HydrophobicContact CZ-CB 4.47Å; F554-V605 HydrophobicContact CZ-CG2 3.53Å; Y581-V605 CarbonylContact C-O 3.43Å; Y581-V605 WeakPolarHBondContact CA-O 3.4Å; Y581-V605 WeakPolarHBondContact CB-O 3.41Å; L582-V605 HydrophobicContact CB-CB 4.37Å; L582-V605 PolarHBondContact N-O 3.31Å; L582-V605 PolarHBondContact O-N 2.96Å; V605-P616 HydrophobicContact CG1-CB 4.02Å; V605-P616 HydrophobicContact CG1-CG 3.34Å
606	Y	89.9	Confident	69.5	Low	76 Å²	76	88 Å²	88	30%	0.298	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	155.3	-177.3	-60.4	-85	0	0	0	113.1	T575 L579 Y581 R604 T608	T575-Y606 HydrophobicContact CG2-CE1 4.16Å; L579-Y606 HydrophobicContact CD2-CD1 3.76Å; L579-Y606 HydrophobicContact CD2-CG 4.23Å; L579-Y606 HydrophobicContact CG-CD1 4.12Å; Y581-Y606 HydrophobicContact CD1-CD1 4.26Å; Y581-Y606 AromaticContact CD1-CE1 3.98Å; Y581-Y606 HydrophobicContact CD1-CE1 3.98Å; Y581-Y606 HydrophobicContact CG-CD1 4.12Å; Y581-Y606 AromaticContact CG-CE1 3.94Å; Y581-Y606 HydrophobicContact CG-CE1 3.94Å; R604-Y606 HydrophobicContact CB-CE2 4.05Å; R604-Y606 VanDerWaalsContact CD-OH 3.29Å; R604-Y606 WeakPolarHBondContact CD-OH 3.49Å; Y606-T608 PolarHBondContact O-N 3.11Å
607	A	90.4	Very high	72.3	Confident	12 Å²	12	82.6 Å²	82.6	10%	0.099	45%	0.445	C	S	.	.			trans	-72.3	120.2	176.2	0	0	0	0	0	111.6	L579 E580 Q609 V617	L579-A607 HydrophobicContact CD1-CB 4.38Å; E580-A607 HydrophobicContact CB-CB 4.14Å; E580-A607 WeakPolarHBondContact O-CB 3.22Å; E580-A607 PolarHBondContact O-N 2.92Å; A607-Q609 PolarHBondContact O-N 2.76Å; A607-V617 HydrophobicContact CB-CB 3.9Å; A607-V617 HydrophobicContact CB-CG1 4.2Å; A607-V617 HydrophobicContact CB-CG2 3.89Å
608	T	86.4	Confident	74.9	Confident	61 Å²	61	75.6 Å²	75.6	37%	0.374	42%	0.416	S	S	.	.			trans	-80.1	80.4	176.6	59.4	0	0	0	0	110.8	Y606 H610 A611 C615	Y606-T608 PolarHBondContact O-N 3.11Å; T608-H610 VanDerWaalsContact C-N 3.28Å; T608-H610 PolarHBondContact O-N 3.13Å; T608-A611 CarbonylContact O-C 3.45Å; T608-A611 PolarHBondContact O-N 3.27Å; T608-A611 PolarHBondContact OG1-O 3.26Å; T608-C615 PolarHBondContact N-SG 2.63Å; T608-C615 VanDerWaalsContact OG1-CA 3.24Å; T608-C615 WeakPolarHBondContact OG1-CA 3.46Å; T608-C615 VanDerWaalsContact OG1-CB 3.31Å; T608-C615 WeakPolarHBondContact OG1-CB 3.32Å
609	Q	79.6	Confident	77.7	Confident	132 Å²	132	65 Å²	65	62%	0.617	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-41.1	-176.4	-66.9	-177.9	-9.9	0	0	113.1	L579 A607 A611	L579-Q609 HydrophobicContact CD1-CG 4.36Å; A607-Q609 PolarHBondContact O-N 2.76Å; Q609-A611 PolarHBondContact O-N 2.81Å
610	H	74.9	Confident	80.6	Confident	187 Å²	187	62.4 Å²	62.4	87%	0.866	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.7	178.1	-49.6	-59.5	0	0	0	114.4	T608	T608-H610 VanDerWaalsContact C-N 3.28Å; T608-H610 PolarHBondContact O-N 3.13Å
611	A	78	Confident	83.3	Confident	38 Å²	38	61.5 Å²	61.5	31%	0.314	32%	0.321	S	S	.	.			trans	-138.4	63.2	-179.3	0	0	0	0	0	111.2	T608 Q609 Q613 T614 C615	T608-A611 CarbonylContact O-C 3.45Å; T608-A611 PolarHBondContact O-N 3.27Å; T608-A611 PolarHBondContact OG1-O 3.26Å; Q609-A611 PolarHBondContact O-N 2.81Å; A611-Q613 PolarHBondContact O-N 3.05Å; A611-T614 PolarHBondContact O-N 2.98Å; A611-T614 VanDerWaalsContact O-N 3.14Å; A611-T614 PolarHBondContact O-OG1 3.28Å; A611-C615 PolarHBondContact O-N 3.44Å; A611-C615 VanDerWaalsContact O-N 3.16Å
612	P	77.8	Confident	85.7	Confident	72 Å²	72	57.7 Å²	57.7	47%	0.468	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.2	-25	-171.1	26.2	-34.7	0	0	0	113.4	R536 T614	R536-P612 VanDerWaalsContact CZ-O 3.31Å; R536-P612 PolarHBondContact NH1-O 3.23Å; R536-P612 PolarHBondContact NH2-O 2.87Å; P612-T614 VanDerWaalsContact C-N 3.3Å; P612-T614 PolarHBondContact O-N 3Å
613	Q	76.6	Confident	87.6	Confident	127 Å²	127	52.8 Å²	52.8	59%	0.593	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-72.8	-18.9	178.2	-60.4	-65	-6.3	0	0	113.8	A611	A611-Q613 PolarHBondContact O-N 3.05Å
614	T	81.8	Confident	88.6	Confident	69 Å²	69	52.6 Å²	52.6	42%	0.423	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-117.5	8.3	176.4	52.5	0	0	0	0	112.8	A611 P612 P616	A611-T614 PolarHBondContact O-N 2.98Å; A611-T614 VanDerWaalsContact O-N 3.14Å; A611-T614 PolarHBondContact O-OG1 3.28Å; P612-T614 VanDerWaalsContact C-N 3.3Å; P612-T614 PolarHBondContact O-N 3Å; T614-P616 WeakPolarHBondContact O-CD 3.33Å
615	C	89.8	Confident	89.1	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.02	28%	0.277	C	S	.	.			trans	-71.9	116.4	-175.9	-179.5	0	0	0	0	112.5	R536 T608 A611 V617 Q618 D619	R536-C615 PolarHBondContact NH2-O 3.26Å; T608-C615 PolarHBondContact N-SG 2.63Å; T608-C615 VanDerWaalsContact OG1-CA 3.24Å; T608-C615 WeakPolarHBondContact OG1-CA 3.46Å; T608-C615 VanDerWaalsContact OG1-CB 3.31Å; T608-C615 WeakPolarHBondContact OG1-CB 3.32Å; A611-C615 PolarHBondContact O-N 3.44Å; A611-C615 VanDerWaalsContact O-N 3.16Å; C615-V617 VanDerWaalsContact C-N 3.32Å; C615-V617 PolarHBondContact O-N 3.25Å; C615-Q618 HydrophobicContact CB-CB 4.09Å; C615-Q618 HydrophobicContact CB-CG 3.93Å; C615-Q618 PolarHBondContact O-N 3.36Å; C615-Q618 VanDerWaalsContact O-N 3.07Å; C615-D619 PolarHBondContact O-N 2.88Å
616	P	91.4	Very high	89.5	Confident	18 Å²	18	54.4 Å²	54.4	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-29.9	-176.2	27.5	-35.7	0	0	0	113.2	N549 V605 T614 Q618 D619 Y620	N549-P616 HydrophobicContact CB-CB 4.07Å; V605-P616 HydrophobicContact CG1-CB 4.02Å; V605-P616 HydrophobicContact CG1-CG 3.34Å; T614-P616 WeakPolarHBondContact O-CD 3.33Å; P616-Q618 VanDerWaalsContact C-N 3.31Å; P616-Q618 PolarHBondContact O-N 3.38Å; P616-D619 PolarHBondContact O-N 3.36Å; P616-Y620 WeakPolarHBondContact O-CB 3.44Å; P616-Y620 PolarHBondContact O-N 2.82Å
617	V	94.3	Very high	89.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-37.9	172.1	172.2	0	0	0	0	111.1	L572 E580 L582 A607 C615 K621	L572-V617 HydrophobicContact CD1-CG1 3.74Å; E580-V617 HydrophobicContact CB-CG1 4Å; L582-V617 HydrophobicContact CG-CG2 4.12Å; A607-V617 HydrophobicContact CB-CB 3.9Å; A607-V617 HydrophobicContact CB-CG1 4.2Å; A607-V617 HydrophobicContact CB-CG2 3.89Å; C615-V617 VanDerWaalsContact C-N 3.32Å; C615-V617 PolarHBondContact O-N 3.25Å; V617-K621 HydrophobicContact CG1-CD 4.43Å; V617-K621 WeakPolarHBondContact O-CB 3.44Å; V617-K621 WeakPolarHBondContact O-CG 3.28Å; V617-K621 PolarHBondContact O-N 2.98Å
618	Q	95.1	Very high	90	Very high	71 Å²	71	50.9 Å²	50.9	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-75.7	-34.5	177.2	-62.9	-64.3	-13.9	0	0	111.8	C615 P616 K621 E622	C615-Q618 HydrophobicContact CB-CB 4.09Å; C615-Q618 HydrophobicContact CB-CG 3.93Å; C615-Q618 PolarHBondContact O-N 3.36Å; C615-Q618 VanDerWaalsContact O-N 3.07Å; P616-Q618 VanDerWaalsContact C-N 3.31Å; P616-Q618 PolarHBondContact O-N 3.38Å; Q618-K621 PolarHBondContact O-N 3.45Å; Q618-E622 PolarHBondContact O-N 3.43Å
619	D	95.3	Very high	90.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-44.3	170.9	-60.7	-24.2	0	0	0	111.1	R536 L545 V546 N549 C615 P616 Y623	R536-D619 IonicContact CZ-OD1 3.8Å; R536-D619 IonicContact NE-OD1 3.23Å; R536-D619 PolarHBondContact NE-OD1 2.92Å; R536-D619 IonicContact NH2-OD1 2.64Å; R536-D619 PolarHBondContact NH2-OD1 3.32Å; L545-D619 WeakPolarHBondContact CD1-OD2 3.21Å; L545-D619 HydrophobicContact CD2-CB 4.24Å; L545-D619 VanDerWaalsContact CD2-CG 3.49Å; L545-D619 WeakPolarHBondContact CD2-OD1 3.4Å; L545-D619 HydrophobicContact CG-CB 4.08Å; L545-D619 WeakPolarHBondContact CG-OD2 3.28Å; V546-D619 HydrophobicContact CG2-CB 4.01Å; V546-D619 VanDerWaalsContact CG2-O 3.29Å; V546-D619 WeakPolarHBondContact CG2-O 3.27Å; N549-D619 PolarHBondContact ND2-OD2 3.46Å; C615-D619 PolarHBondContact O-N 2.88Å; P616-D619 PolarHBondContact O-N 3.36Å; D619-Y623 PolarHBondContact O-N 2.65Å; D619-Y623 VanDerWaalsContact O-N 3.1Å
620	Y	96.7	Very high	91.2	Very high	17 Å²	17	48.7 Å²	48.7	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-43.3	173.5	172.9	-84	0	0	0	112.5	W567 I570 L572 L582 P616 Y623 A624 F638	W567-Y620 HydrophobicContact CH2-CD2 4.49Å; W567-Y620 HydrophobicContact CH2-CE1 4.3Å; W567-Y620 AromaticContact CH2-CE2 3.72Å; W567-Y620 HydrophobicContact CH2-CE2 3.72Å; W567-Y620 AromaticContact CH2-CZ 3.6Å; W567-Y620 HydrophobicContact CZ2-CE2 4.47Å; W567-Y620 AromaticContact CZ2-CZ 3.95Å; W567-Y620 WeakPolarHBondContact CZ2-OH 3.21Å; W567-Y620 AromaticContact CZ3-CE2 3.91Å; W567-Y620 HydrophobicContact CZ3-CE2 3.91Å; I570-Y620 HydrophobicContact CG2-CE2 4.29Å; I570-Y620 PolarHBondContact O-OH 3.25Å; L572-Y620 HydrophobicContact CB-CE1 3.91Å; L582-Y620 HydrophobicContact CD1-CD2 4.01Å; L582-Y620 HydrophobicContact CD1-CG 3.95Å; L582-Y620 HydrophobicContact CD2-CD1 3.59Å; L582-Y620 HydrophobicContact CD2-CD2 3.91Å; L582-Y620 HydrophobicContact CD2-CE1 4.03Å; L582-Y620 HydrophobicContact CD2-CE2 4.3Å; L582-Y620 HydrophobicContact CD2-CG 3.54Å; L582-Y620 HydrophobicContact CG-CG 4.41Å; P616-Y620 WeakPolarHBondContact O-CB 3.44Å; P616-Y620 PolarHBondContact O-N 2.82Å; Y620-Y623 PolarHBondContact O-N 3.5Å; Y620-A624 HydrophobicContact CE1-CB 4.47Å; Y620-A624 WeakPolarHBondContact O-CB 3.27Å; Y620-A624 PolarHBondContact O-N 3.36Å; Y620-F638 HydrophobicContact CD2-CE2 4.5Å; Y620-F638 HydrophobicContact CD2-CZ 4.05Å; Y620-F638 AromaticContact CE2-CE2 3.96Å; Y620-F638 HydrophobicContact CE2-CE2 3.96Å; Y620-F638 AromaticContact CE2-CZ 3.95Å; Y620-F638 HydrophobicContact CE2-CZ 3.95Å
621	K	96.4	Very high	92.2	Very high	48 Å²	48	40.4 Å²	40.4	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-44.9	178.5	-82.1	177.9	166.9	-172.1	0	112.6	L572 E580 V617 Q618 Y623 A624 Q625	L572-K621 HydrophobicContact CD2-CG 4.25Å; E580-K621 WeakPolarHBondContact OE1-CE 3.22Å; E580-K621 IonicContact OE1-NZ 3.22Å; E580-K621 PolarHBondContact OE1-NZ 3.18Å; E580-K621 WeakPolarHBondContact OE2-CE 3.45Å; E580-K621 IonicContact OE2-NZ 2.75Å; E580-K621 PolarHBondContact OE2-NZ 3.23Å; V617-K621 HydrophobicContact CG1-CD 4.43Å; V617-K621 WeakPolarHBondContact O-CB 3.44Å; V617-K621 WeakPolarHBondContact O-CG 3.28Å; V617-K621 PolarHBondContact O-N 2.98Å; Q618-K621 PolarHBondContact O-N 3.45Å; K621-Y623 VanDerWaalsContact C-N 3.33Å; K621-Y623 PolarHBondContact O-N 2.88Å; K621-A624 PolarHBondContact O-N 3.49Å; K621-Q625 WeakPolarHBondContact O-CG 3.41Å; K621-Q625 PolarHBondContact O-N 2.9Å
622	E	96.9	Very high	92.9	Very high	37 Å²	37	43.5 Å²	43.5	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-48.4	173.3	-176.7	68.8	-156.2	0	0	109.9	R536 L542 Q618 A624 Q625 R626	R536-E622 HydrophobicContact CB-CG 4.12Å; R536-E622 HydrophobicContact CG-CB 4.41Å; R536-E622 HydrophobicContact CG-CG 4.31Å; L542-E622 HydrophobicContact CD1-CB 4.03Å; L542-E622 HydrophobicContact CD1-CG 3.91Å; L542-E622 HydrophobicContact CD2-CB 4.44Å; L542-E622 HydrophobicContact CD2-CG 3.7Å; L542-E622 HydrophobicContact CG-CG 4.48Å; Q618-E622 PolarHBondContact O-N 3.43Å; E622-A624 PolarHBondContact O-N 3.45Å; E622-Q625 PolarHBondContact O-N 3.46Å; E622-R626 HydrophobicContact CG-CG 4.48Å; E622-R626 WeakPolarHBondContact O-CG 3.24Å; E622-R626 PolarHBondContact O-N 2.83Å; E622-R626 IonicContact OE1-CZ 2.67Å; E622-R626 IonicContact OE1-NE 3.93Å; E622-R626 PolarHBondContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 2.68Å; E622-R626 PolarHBondContact OE1-NH2 2.91Å
623	Y	97.6	Very high	93.7	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-46	177.2	-172.6	-114.8	0	0	0	112.4	L542 L543 V546 W567 D619 Y620 K621 Q625 R626 R627 F638 L640 Y654	L542-Y623 HydrophobicContact CD2-CD2 4.36Å; L542-Y623 HydrophobicContact CG-CD2 4.22Å; L543-Y623 HydrophobicContact CD1-CE2 4.04Å; V546-Y623 HydrophobicContact CG1-CD1 4.31Å; V546-Y623 HydrophobicContact CG2-CG 4.3Å; W567-Y623 HydrophobicContact CZ3-CD1 4.04Å; W567-Y623 HydrophobicContact CZ3-CE1 4.21Å; D619-Y623 PolarHBondContact O-N 2.65Å; D619-Y623 VanDerWaalsContact O-N 3.1Å; Y620-Y623 PolarHBondContact O-N 3.5Å; K621-Y623 VanDerWaalsContact C-N 3.33Å; K621-Y623 PolarHBondContact O-N 2.88Å; Y623-Q625 VanDerWaalsContact C-N 3.29Å; Y623-Q625 PolarHBondContact O-N 3.24Å; Y623-R626 CarbonylContact O-C 3.21Å; Y623-R626 PolarHBondContact O-N 3.02Å; Y623-R626 VanDerWaalsContact O-N 3.09Å; Y623-R627 HydrophobicContact CD1-CG 4.45Å; Y623-R627 HydrophobicContact CE1-CG 4.29Å; Y623-R627 WeakPolarHBondContact O-CG 3.42Å; Y623-R627 PolarHBondContact O-N 3.09Å; Y623-F638 HydrophobicContact CD1-CE1 4.33Å; Y623-F638 HydrophobicContact CE1-CD1 4.4Å; Y623-F638 HydrophobicContact CE1-CE1 4.03Å; Y623-F638 WeakPolarHBondContact CE1-O 3.45Å; Y623-F638 PolarHBondContact OH-O 3.11Å; Y623-F638 VanDerWaalsContact OH-O 3.11Å; Y623-L640 PolarHBondContact OH-N 2.94Å; Y623-L640 VanDerWaalsContact OH-N 3.07Å; Y623-Y654 HydrophobicContact CD2-CD2 4.35Å; Y623-Y654 AromaticContact CD2-CE2 3.57Å; Y623-Y654 HydrophobicContact CD2-CE2 3.57Å; Y623-Y654 AromaticContact CD2-CZ 3.8Å; Y623-Y654 HydrophobicContact CE2-CD1 4.38Å; Y623-Y654 AromaticContact CE2-CD2 3.89Å; Y623-Y654 HydrophobicContact CE2-CD2 3.89Å; Y623-Y654 AromaticContact CE2-CE1 3.96Å; Y623-Y654 HydrophobicContact CE2-CE1 3.96Å; Y623-Y654 AromaticContact CE2-CE2 3.41Å; Y623-Y654 HydrophobicContact CE2-CE2 3.41Å; Y623-Y654 VanDerWaalsContact CE2-CE2 3.41Å; Y623-Y654 HydrophobicContact CE2-CG 4.38Å; Y623-Y654 AromaticContact CE2-CZ 3.47Å; Y623-Y654 VanDerWaalsContact CE2-CZ 3.47Å
624	A	96.9	Very high	94.6	Very high	21 Å²	21	45.2 Å²	45.2	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-41.5	176.8	0	0	0	0	0	112.6	W567 Y620 K621 E622 R632	W567-A624 HydrophobicContact CH2-CB 3.72Å; W567-A624 HydrophobicContact CZ2-CB 3.82Å; Y620-A624 HydrophobicContact CE1-CB 4.47Å; Y620-A624 WeakPolarHBondContact O-CB 3.27Å; Y620-A624 PolarHBondContact O-N 3.36Å; K621-A624 PolarHBondContact O-N 3.49Å; E622-A624 PolarHBondContact O-N 3.45Å; A624-R632 PolarHBondContact O-NE 2.84Å; A624-R632 PolarHBondContact O-NH2 2.65Å
625	Q	96.6	Very high	95.2	Very high	107 Å²	107	46.8 Å²	46.8	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-67.1	-43	174.8	-67.5	177	37.9	0	0	111.8	K621 E622 Y623 R627 R632	K621-Q625 WeakPolarHBondContact O-CG 3.41Å; K621-Q625 PolarHBondContact O-N 2.9Å; E622-Q625 PolarHBondContact O-N 3.46Å; Y623-Q625 VanDerWaalsContact C-N 3.29Å; Y623-Q625 PolarHBondContact O-N 3.24Å; Q625-R627 VanDerWaalsContact C-N 3.31Å; Q625-R627 PolarHBondContact O-N 3.46Å; Q625-R632 PolarHBondContact O-NH2 2.85Å
626	R	96.7	Very high	95.5	Very high	45 Å²	45	46.7 Å²	46.7	17%	0.17	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-15.8	179.7	-60.3	-58.8	-179.8	148.7	7.3	114.6	L542 E622 Y623 L648 A650 L651 H652 W653 Y654	L542-R626 HydrophobicContact CD2-CB 4.27Å; L542-R626 HydrophobicContact CD2-CG 3.87Å; E622-R626 HydrophobicContact CG-CG 4.48Å; E622-R626 WeakPolarHBondContact O-CG 3.24Å; E622-R626 PolarHBondContact O-N 2.83Å; E622-R626 IonicContact OE1-CZ 2.67Å; E622-R626 IonicContact OE1-NE 3.93Å; E622-R626 PolarHBondContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 2.68Å; E622-R626 PolarHBondContact OE1-NH2 2.91Å; Y623-R626 CarbonylContact O-C 3.21Å; Y623-R626 PolarHBondContact O-N 3.02Å; Y623-R626 VanDerWaalsContact O-N 3.09Å; R626-L648 PolarHBondContact NH1-O 3.44Å; R626-A650 PolarHBondContact NH1-O 3.38Å; R626-A650 VanDerWaalsContact NH1-O 3.11Å; R626-L651 WeakPolarHBondContact CA-O 3.28Å; R626-L651 VanDerWaalsContact CD-O 3.22Å; R626-L651 WeakPolarHBondContact CD-O 3.43Å; R626-H652 WeakPolarHBondContact O-CA 3.45Å; R626-W653 HydrophobicContact CB-CB 4.37Å; R626-W653 HydrophobicContact CB-CD2 4.44Å; R626-W653 HydrophobicContact CB-CE3 4.22Å; R626-W653 HydrophobicContact CB-CG 4.49Å; R626-W653 HydrophobicContact CG-CD2 4.04Å; R626-W653 HydrophobicContact CG-CE3 3.76Å; R626-W653 HydrophobicContact CG-CZ3 4.16Å; R626-W653 PolarHBondContact O-N 2.97Å; R626-Y654 HydrophobicContact CB-CD2 4.17Å; R626-Y654 HydrophobicContact CB-CE2 3.77Å
627	R	96.4	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-65.8	137.8	169.2	-69.2	173.1	82.8	78.8	-5.4	110.8	W567 Y623 Q625 M631 R632 P637 F638 L640 H652	W567-R627 VanDerWaalsContact CH2-CD 3.48Å; W567-R627 VanDerWaalsContact CZ3-CD 3.47Å; Y623-R627 HydrophobicContact CD1-CG 4.45Å; Y623-R627 HydrophobicContact CE1-CG 4.29Å; Y623-R627 WeakPolarHBondContact O-CG 3.42Å; Y623-R627 PolarHBondContact O-N 3.09Å; Q625-R627 VanDerWaalsContact C-N 3.31Å; Q625-R627 PolarHBondContact O-N 3.46Å; R627-M631 VanDerWaalsContact CZ-O 3.27Å; R627-M631 PolarHBondContact NE-O 3.28Å; R627-M631 PolarHBondContact NH2-O 3.36Å; R627-R632 HydrophobicContact CB-CG 4.39Å; R627-R632 PolarHBondContact O-NE 3.03Å; R627-R632 PolarHBondContact O-NH2 3.26Å; R627-P637 PolarHBondContact NH2-O 2.76Å; R627-F638 PolarHBondContact NH1-O 3.47Å; R627-L640 HydrophobicContact CB-CD1 4.36Å; R627-L640 HydrophobicContact CG-CD1 4.02Å; R627-H652 PolarHBondContact O-CD2 3.46Å
628	P	95.6	Very high	95.8	Very high	14 Å²	14	47.6 Å²	47.6	9%	0.091	24%	0.24	C	C	.	.			trans	-54	142.6	164.9	-23.6	33.7	0	0	0	111.4	A630 M631 Y654	P628-A630 PolarHBondContact O-N 3.38Å; P628-M631 HydrophobicContact CB-CG 4.34Å; P628-M631 HydrophobicContact CG-CG 4.48Å; P628-M631 PolarHBondContact O-N 2.91Å; P628-Y654 WeakPolarHBondContact CG-O 3.41Å
629	P	94.8	Very high	95.9	Very high	81 Å²	81	44.6 Å²	44.6	53%	0.526	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57	-36.7	180	-26.9	36	0	0	0	113.1	M631 R632	P629-M631 PolarHBondContact O-N 3.31Å; P629-R632 PolarHBondContact O-N 2.76Å; P629-R632 VanDerWaalsContact O-N 3.15Å
630	A	95.1	Very high	95.9	Very high	66 Å²	66	44.6 Å²	44.6	55%	0.545	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62.2	-9.3	175.6	0	0	0	0	0	114.8	P628 Y633	P628-A630 PolarHBondContact O-N 3.38Å; A630-Y633 VanDerWaalsContact O-CD1 3.25Å; A630-Y633 WeakPolarHBondContact O-CD1 3.42Å; A630-Y633 WeakPolarHBondContact O-CE1 3.34Å
631	M	96.2	Very high	95.9	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.064	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-112.8	23.1	177.5	-56	-55.4	-70.9	0	0	112.8	R627 P628 P629 A636 P637 L640 C656	R627-M631 VanDerWaalsContact CZ-O 3.27Å; R627-M631 PolarHBondContact NE-O 3.28Å; R627-M631 PolarHBondContact NH2-O 3.36Å; P628-M631 HydrophobicContact CB-CG 4.34Å; P628-M631 HydrophobicContact CG-CG 4.48Å; P628-M631 PolarHBondContact O-N 2.91Å; P629-M631 PolarHBondContact O-N 3.31Å; M631-A636 HydrophobicContact CE-CB 4.38Å; M631-A636 WeakPolarHBondContact O-CB 3.27Å; M631-P637 HydrophobicContact CE-CG 3.75Å; M631-L640 HydrophobicContact CB-CD1 3.79Å; M631-L640 HydrophobicContact CB-CD2 4.36Å; M631-L640 HydrophobicContact CE-CD2 3.6Å; M631-L640 HydrophobicContact CG-CD1 4.04Å; M631-L640 HydrophobicContact CG-CD2 4.31Å; M631-C656 HydrophobicContact CG-CB 4Å; M631-C656 VanDerWaalsContact SD-CA 3.57Å; M631-C656 HydrophobicContact SD-CB 3.6Å
632	R	93.5	Very high	95.8	Very high	103 Å²	103	44.9 Å²	44.9	39%	0.389	23%	0.232	S	C	.	.			trans	-106.8	6.4	179.1	-58.8	-177	-173	159.5	5.1	114.1	W567 A624 Q625 R627 P629	W567-R632 VanDerWaalsContact CD1-O 3.28Å; W567-R632 PolarHBondContact NE1-O 2.89Å; A624-R632 PolarHBondContact O-NE 2.84Å; A624-R632 PolarHBondContact O-NH2 2.65Å; Q625-R632 PolarHBondContact O-NH2 2.85Å; R627-R632 HydrophobicContact CB-CG 4.39Å; R627-R632 PolarHBondContact O-NE 3.03Å; R627-R632 PolarHBondContact O-NH2 3.26Å; P629-R632 PolarHBondContact O-N 2.76Å; P629-R632 VanDerWaalsContact O-N 3.15Å
633	Y	94.8	Very high	95.6	Very high	127 Å²	127	46.5 Å²	46.5	50%	0.498	24%	0.238	S	C	.	.	S	Bend	trans	-75.7	158.1	169.5	67.4	-89.4	0	0	0	111.1	A630 D635 A636	A630-Y633 VanDerWaalsContact O-CD1 3.25Å; A630-Y633 WeakPolarHBondContact O-CD1 3.42Å; A630-Y633 WeakPolarHBondContact O-CE1 3.34Å; Y633-D635 HydrophobicContact CD2-CB 4.03Å; Y633-D635 VanDerWaalsContact CE2-C 3.43Å; Y633-D635 HydrophobicContact CE2-CB 3.83Å; Y633-D635 PolarHBondContact O-N 2.87Å; Y633-A636 HydrophobicContact CD1-CB 3.94Å; Y633-A636 HydrophobicContact CD2-CB 4.1Å; Y633-A636 HydrophobicContact CE1-CB 3.71Å; Y633-A636 HydrophobicContact CE2-CB 3.89Å; Y633-A636 HydrophobicContact CG-CB 4.11Å; Y633-A636 WeakPolarHBondContact O-CB 3.27Å; Y633-A636 PolarHBondContact O-N 3.01Å; Y633-A636 VanDerWaalsContact O-N 3.15Å
634	E	94.3	Very high	95	Very high	108 Å²	108	52.5 Å²	52.5	51%	0.505	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-46.2	-168.5	-59	-160.8	164.8	0	0	113.5	K566 W567 G568 R571 A636	K566-E634 WeakPolarHBondContact CB-O 3.3Å; W567-E634 PolarHBondContact N-O 2.75Å; G568-E634 PolarHBondContact N-O 2.73Å; R571-E634 IonicContact CZ-OE1 3.27Å; R571-E634 VanDerWaalsContact CZ-OE1 3.3Å; R571-E634 IonicContact CZ-OE2 2.72Å; R571-E634 IonicContact NH1-OE1 3.26Å; R571-E634 PolarHBondContact NH1-OE1 2.95Å; R571-E634 IonicContact NH1-OE2 3.3Å; R571-E634 IonicContact NH2-OE1 2.63Å; R571-E634 PolarHBondContact NH2-OE1 3.13Å; R571-E634 IonicContact NH2-OE2 2.87Å; R571-E634 PolarHBondContact NH2-OE2 2.94Å; E634-A636 PolarHBondContact O-N 2.87Å
635	D	94.4	Very high	94.4	Very high	103 Å²	103	58 Å²	58	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	0.9	177.6	-74.2	-64.4	0	0	0	115.4	K566 Y633	K566-D635 WeakPolarHBondContact CE-OD1 3.24Å; K566-D635 IonicContact NZ-OD1 2.77Å; K566-D635 PolarHBondContact NZ-OD1 2.89Å; Y633-D635 HydrophobicContact CD2-CB 4.03Å; Y633-D635 VanDerWaalsContact CE2-C 3.43Å; Y633-D635 HydrophobicContact CE2-CB 3.83Å; Y633-D635 PolarHBondContact O-N 2.87Å
636	A	95.9	Very high	93.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-67.4	139.9	179.8	0	0	0	0	0	110.6	K566 W567 M631 Y633 E634 F638	K566-A636 CarbonylContact C-O 3.58Å; K566-A636 WeakPolarHBondContact CA-O 3.42Å; W567-A636 HydrophobicContact CB-CB 4.14Å; W567-A636 WeakPolarHBondContact CB-O 3.38Å; W567-A636 PolarHBondContact N-O 2.75Å; M631-A636 HydrophobicContact CE-CB 4.38Å; M631-A636 WeakPolarHBondContact O-CB 3.27Å; Y633-A636 HydrophobicContact CD1-CB 3.94Å; Y633-A636 HydrophobicContact CD2-CB 4.1Å; Y633-A636 HydrophobicContact CE1-CB 3.71Å; Y633-A636 HydrophobicContact CE2-CB 3.89Å; Y633-A636 HydrophobicContact CG-CB 4.11Å; Y633-A636 WeakPolarHBondContact O-CB 3.27Å; Y633-A636 PolarHBondContact O-N 3.01Å; Y633-A636 VanDerWaalsContact O-N 3.15Å; E634-A636 PolarHBondContact O-N 2.87Å; A636-F638 PolarHBondContact O-N 2.64Å
637	P	96.2	Very high	93.3	Very high	37 Å²	37	58 Å²	58	24%	0.24	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-56.3	131.8	175.7	21.3	-33	0	0	0	111.6	R627 M631 L640 A658	R627-P637 PolarHBondContact NH2-O 2.76Å; M631-P637 HydrophobicContact CE-CG 3.75Å; P637-L640 HydrophobicContact CG-CD2 3.96Å; P637-L640 WeakPolarHBondContact O-CD2 3.27Å; P637-A658 HydrophobicContact CB-CB 3.71Å; P637-A658 HydrophobicContact CG-CB 3.9Å
638	F	96.4	Very high	92.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-66.3	-50	-176	-168.3	-75.2	0	0	0	111.2	V546 N550 L565 K566 W567 I570 Y620 Y623 R627 A636	V546-F638 HydrophobicContact CG1-CE1 3.83Å; V546-F638 HydrophobicContact CG1-CZ 4.18Å; N550-F638 WeakPolarHBondContact ND2-CE1 3.48Å; N550-F638 VanDerWaalsContact ND2-CZ 3.32Å; N550-F638 WeakPolarHBondContact ND2-CZ 3.29Å; L565-F638 HydrophobicContact CB-CB 4.02Å; L565-F638 HydrophobicContact CD2-CB 3.71Å; L565-F638 HydrophobicContact CD2-CD1 3.9Å; L565-F638 HydrophobicContact CD2-CD2 4.06Å; L565-F638 HydrophobicContact CD2-CG 3.59Å; L565-F638 HydrophobicContact CG-CB 3.59Å; L565-F638 HydrophobicContact CG-CD2 4.24Å; L565-F638 HydrophobicContact CG-CG 3.92Å; L565-F638 VanDerWaalsContact O-CB 3.23Å; L565-F638 WeakPolarHBondContact O-CB 3.38Å; L565-F638 PolarHBondContact O-N 3.29Å; K566-F638 WeakPolarHBondContact O-CD2 3.2Å; W567-F638 AromaticContact CE3-CD2 3.75Å; W567-F638 HydrophobicContact CE3-CD2 3.75Å; W567-F638 AromaticContact CE3-CE2 3.65Å; W567-F638 HydrophobicContact CE3-CE2 3.65Å; W567-F638 HydrophobicContact CE3-CG 4.35Å; W567-F638 HydrophobicContact CE3-CZ 4.19Å; W567-F638 HydrophobicContact CZ3-CD2 4.21Å; W567-F638 HydrophobicContact CZ3-CE1 4.45Å; W567-F638 AromaticContact CZ3-CE2 3.66Å; W567-F638 HydrophobicContact CZ3-CE2 3.66Å; W567-F638 AromaticContact CZ3-CZ 3.8Å; W567-F638 HydrophobicContact CZ3-CZ 3.8Å; I570-F638 HydrophobicContact CB-CE2 3.97Å; I570-F638 HydrophobicContact CD1-CD2 4.39Å; I570-F638 HydrophobicContact CD1-CE2 4.04Å; I570-F638 HydrophobicContact CD1-CZ 4.37Å; I570-F638 HydrophobicContact CG1-CE2 4.43Å; Y620-F638 HydrophobicContact CD2-CE2 4.5Å; Y620-F638 HydrophobicContact CD2-CZ 4.05Å; Y620-F638 AromaticContact CE2-CE2 3.96Å; Y620-F638 HydrophobicContact CE2-CE2 3.96Å; Y620-F638 AromaticContact CE2-CZ 3.95Å; Y620-F638 HydrophobicContact CE2-CZ 3.95Å; Y623-F638 HydrophobicContact CD1-CE1 4.33Å; Y623-F638 HydrophobicContact CE1-CD1 4.4Å; Y623-F638 HydrophobicContact CE1-CE1 4.03Å; Y623-F638 WeakPolarHBondContact CE1-O 3.45Å; Y623-F638 PolarHBondContact OH-O 3.11Å; Y623-F638 VanDerWaalsContact OH-O 3.11Å; R627-F638 PolarHBondContact NH1-O 3.47Å; A636-F638 PolarHBondContact O-N 2.64Å
639	Y	96.9	Very high	92.5	Very high	8 Å²	8	66.1 Å²	66.1	3%	0.031	37%	0.371	C	S	.	.	S	Bend	trans	-90.8	117.8	176.5	-57.9	-67.1	0	0	0	110.2	L543 W547 N550 G562 L565 A658 L659 L664	L543-Y639 HydrophobicContact CD1-CD1 4.08Å; W547-Y639 HydrophobicContact CB-CD1 4.38Å; W547-Y639 HydrophobicContact CB-CE1 3.75Å; W547-Y639 AromaticContact CD1-CE1 3.83Å; W547-Y639 AromaticContact CD1-CE2 3.72Å; W547-Y639 AromaticContact CD1-CZ 3.54Å; W547-Y639 HydrophobicContact CG-CE1 4.2Å; N550-Y639 VanDerWaalsContact CB-OH 3.32Å; N550-Y639 WeakPolarHBondContact CB-OH 3.4Å; N550-Y639 PolarHBondContact ND2-OH 3.19Å; G562-Y639 WeakPolarHBondContact O-CD2 3.47Å; G562-Y639 WeakPolarHBondContact O-CE2 3.48Å; L565-Y639 HydrophobicContact CB-CE2 4.49Å; L565-Y639 HydrophobicContact CD2-CD2 4.37Å; L565-Y639 HydrophobicContact CD2-CE2 3.5Å; Y639-A658 CarbonylContact O-C 3.59Å; Y639-A658 WeakPolarHBondContact O-CA 3.23Å; Y639-L659 WeakPolarHBondContact O-CB 3.37Å; Y639-L659 PolarHBondContact O-N 3.13Å; Y639-L664 HydrophobicContact CD2-CD2 3.7Å; Y639-L664 HydrophobicContact CE2-CD2 4.39Å; Y639-L664 HydrophobicContact CG-CD2 3.93Å
640	L	96.7	Very high	92.3	Very high	0 Å²	0	64 Å²	64	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	152.5	178.6	-59.4	178.9	0	0	0	112.3	Y623 R627 M631 P637 Y654 Q657	Y623-L640 PolarHBondContact OH-N 2.94Å; Y623-L640 VanDerWaalsContact OH-N 3.07Å; R627-L640 HydrophobicContact CB-CD1 4.36Å; R627-L640 HydrophobicContact CG-CD1 4.02Å; M631-L640 HydrophobicContact CB-CD1 3.79Å; M631-L640 HydrophobicContact CB-CD2 4.36Å; M631-L640 HydrophobicContact CE-CD2 3.6Å; M631-L640 HydrophobicContact CG-CD1 4.04Å; M631-L640 HydrophobicContact CG-CD2 4.31Å; P637-L640 HydrophobicContact CG-CD2 3.96Å; P637-L640 WeakPolarHBondContact O-CD2 3.27Å; L640-Y654 HydrophobicContact CB-CD1 4.46Å; L640-Y654 HydrophobicContact CB-CG 4.23Å; L640-Q657 CarbonylContact C-O 3.57Å; L640-Q657 VanDerWaalsContact CA-O 3.27Å; L640-Q657 WeakPolarHBondContact CA-O 3.24Å; L640-Q657 WeakPolarHBondContact CD2-O 3.49Å
641	S	95.6	Very high	92.1	Very high	19 Å²	19	65.7 Å²	65.7	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.2	173.1	72.7	0	0	0	0	111.6	Y654 N655 Q657	S641-Y654 CarbonylContact O-C 3.56Å; S641-Y654 WeakPolarHBondContact O-CA 3.43Å; S641-N655 PolarHBondContact O-N 2.94Å; S641-N655 PolarHBondContact O-ND2 3.42Å; S641-N655 WeakPolarHBondContact OG-CB 3.25Å; S641-N655 PolarHBondContact OG-ND2 3.14Å; S641-Q657 PolarHBondContact N-O 2.98Å
642	I	95	Very high	92	Very high	53 Å²	53	67.6 Å²	67.6	27%	0.272	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.4	177.7	-59.1	166.5	0	0	0	109.6	P539 E540 L543 Y654 N655	P539-I642 HydrophobicContact CB-CG1 4.44Å; P539-I642 HydrophobicContact CB-CG2 3.86Å; P539-I642 HydrophobicContact CG-CG2 3.95Å; E540-I642 HydrophobicContact CB-CD1 3.98Å; L543-I642 HydrophobicContact CD2-CD1 3.84Å; L543-I642 HydrophobicContact CD2-CG1 3.87Å; I642-Y654 HydrophobicContact CG1-CD1 4.03Å; I642-Y654 HydrophobicContact CG1-CE1 3.81Å; I642-N655 VanDerWaalsContact C-ND2 3.35Å; I642-N655 PolarHBondContact O-ND2 2.83Å
643	K	92.6	Very high	92.2	Very high	70 Å²	70	62.8 Å²	62.8	30%	0.304	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.9	125.9	169.9	-78.6	173	178.2	179.9	0	110.4	V645 V646 H652 W653 Y654 N655	K643-V645 VanDerWaalsContact C-N 3.27Å; K643-V645 PolarHBondContact O-N 2.97Å; K643-V646 HydrophobicContact CB-CB 3.99Å; K643-H652 WeakPolarHBondContact CE-O 3.42Å; K643-H652 PolarHBondContact NZ-O 2.71Å; K643-W653 WeakPolarHBondContact CB-O 3.4Å; K643-W653 WeakPolarHBondContact CG-O 2.98Å; K643-W653 PolarHBondContact N-O 3.19Å; K643-W653 VanDerWaalsContact N-O 3.1Å; K643-Y654 WeakPolarHBondContact CE-O 3.47Å; K643-N655 WeakPolarHBondContact CG-OD1 3.45Å
644	P	84.7	Confident	92.3	Very high	128 Å²	128	56.8 Å²	56.8	83%	0.831	33%	0.326	S	S	*	.	S	Bend	trans	-58	-36.8	-176.9	-27	35.3	0	0	0	114.2
645	V	84.1	Confident	92.3	Very high	137 Å²	137	53.4 Å²	53.4	83%	0.83	31%	0.312	S	S	*	.	S	Bend	trans	-118.1	121.8	169.5	-178.2	0	0	0	0	107.5	K643	K643-V645 VanDerWaalsContact C-N 3.27Å; K643-V645 PolarHBondContact O-N 2.97Å
646	V	83.2	Confident	92.4	Very high	38 Å²	38	52.2 Å²	52.2	23%	0.23	31%	0.311	C	S	.	.			trans	-147.1	118.2	-176.5	54.6	0	0	0	0	110.5	P539 K643 L648 W653	P539-V646 HydrophobicContact CG-CG1 3.93Å; K643-V646 HydrophobicContact CB-CB 3.99Å; V646-L648 PolarHBondContact O-N 2.99Å; V646-W653 HydrophobicContact CG2-CB 4.17Å; V646-W653 HydrophobicContact CG2-CG 3.95Å
647	N	87.2	Confident	92.3	Very high	114 Å²	114	58.2 Å²	58.2	61%	0.61	34%	0.339	S	S	*	.			trans	-67.2	128.7	167.6	-179.2	-13.3	0	0	0	108.4	A649 A650	N647-A649 PolarHBondContact O-N 3.37Å; N647-A649 WeakPolarHBondContact OD1-CB 3.33Å; N647-A649 PolarHBondContact OD1-N 3.49Å; N647-A650 HydrophobicContact CB-CB 4.32Å; N647-A650 WeakPolarHBondContact O-CB 3.49Å; N647-A650 PolarHBondContact O-N 3.22Å
648	L	88.1	Confident	92.3	Very high	94 Å²	94	59.2 Å²	59.2	49%	0.492	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.8	179.3	-64.3	175.7	0	0	0	112.4	N538 R626 V646 A650 W653	N538-L648 HydrophobicContact CB-CD2 4.11Å; R626-L648 PolarHBondContact NH1-O 3.44Å; V646-L648 PolarHBondContact O-N 2.99Å; L648-A650 PolarHBondContact O-N 3.15Å; L648-W653 HydrophobicContact CD2-CZ2 4.28Å; L648-W653 WeakPolarHBondContact O-CZ2 3.37Å; L648-W653 PolarHBondContact O-NE1 2.9Å; L648-W653 VanDerWaalsContact O-NE1 3.11Å
649	A	87.5	Confident	92.2	Very high	89 Å²	89	60 Å²	60	74%	0.736	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	172.8	0	0	0	0	0	113.8	N647	N647-A649 PolarHBondContact O-N 3.37Å; N647-A649 WeakPolarHBondContact OD1-CB 3.33Å; N647-A649 PolarHBondContact OD1-N 3.49Å
650	A	89.6	Confident	92	Very high	36 Å²	36	61.7 Å²	61.7	30%	0.298	37%	0.374	S	S	.	.			trans	-70	137.1	174.9	0	0	0	0	0	111.1	R626 N647 L648 H652 W653	R626-A650 PolarHBondContact NH1-O 3.38Å; R626-A650 VanDerWaalsContact NH1-O 3.11Å; N647-A650 HydrophobicContact CB-CB 4.32Å; N647-A650 WeakPolarHBondContact O-CB 3.49Å; N647-A650 PolarHBondContact O-N 3.22Å; L648-A650 PolarHBondContact O-N 3.15Å; A650-H652 VanDerWaalsContact C-N 3.34Å; A650-H652 PolarHBondContact O-N 2.64Å; A650-W653 VanDerWaalsContact O-CD1 3.24Å; A650-W653 PolarHBondContact O-NE1 3.05Å; A650-W653 VanDerWaalsContact O-NE1 3.1Å
651	L	90.5	Very high	91.7	Very high	103 Å²	103	68.1 Å²	68.1	54%	0.539	40%	0.402	S	S	.	.	S	Bend	trans	-63.1	-37.7	178.9	-177	60.7	0	0	0	112.6	R626	R626-L651 WeakPolarHBondContact CA-O 3.28Å; R626-L651 VanDerWaalsContact CD-O 3.22Å; R626-L651 WeakPolarHBondContact CD-O 3.43Å
652	H	94.8	Very high	91.4	Very high	53 Å²	53	73.5 Å²	73.5	25%	0.245	43%	0.43	C	S	.	.			trans	-113.8	106.4	-173.4	-55.6	123.7	0	0	0	112	R626 R627 K643 A650	R626-H652 WeakPolarHBondContact O-CA 3.45Å; R627-H652 PolarHBondContact O-CD2 3.46Å; K643-H652 WeakPolarHBondContact CE-O 3.42Å; K643-H652 PolarHBondContact NZ-O 2.71Å; A650-H652 VanDerWaalsContact C-N 3.34Å; A650-H652 PolarHBondContact O-N 2.64Å
653	W	96.9	Very high	91.3	Very high	2 Å²	2	78 Å²	78	1%	0.008	45%	0.447	C	S	.	.			trans	-91.6	-21	-173.4	-73.7	-10.8	0	0	0	115.4	R536 P539 L542 R626 K643 V646 L648 A650	R536-W653 VanDerWaalsContact O-CH2 3.3Å; R536-W653 WeakPolarHBondContact O-CH2 3.39Å; R536-W653 WeakPolarHBondContact O-CZ3 3.1Å; P539-W653 HydrophobicContact CB-CB 3.97Å; P539-W653 HydrophobicContact CB-CD2 3.98Å; P539-W653 HydrophobicContact CB-CE3 3.74Å; P539-W653 HydrophobicContact CB-CG 4.15Å; P539-W653 HydrophobicContact CB-CZ3 4.5Å; L542-W653 HydrophobicContact CB-CZ3 4.27Å; L542-W653 HydrophobicContact CD2-CE3 3.96Å; L542-W653 HydrophobicContact CD2-CZ3 3.73Å; R626-W653 HydrophobicContact CB-CB 4.37Å; R626-W653 HydrophobicContact CB-CD2 4.44Å; R626-W653 HydrophobicContact CB-CE3 4.22Å; R626-W653 HydrophobicContact CB-CG 4.49Å; R626-W653 HydrophobicContact CG-CD2 4.04Å; R626-W653 HydrophobicContact CG-CE3 3.76Å; R626-W653 HydrophobicContact CG-CZ3 4.16Å; R626-W653 PolarHBondContact O-N 2.97Å; K643-W653 WeakPolarHBondContact CB-O 3.4Å; K643-W653 WeakPolarHBondContact CG-O 2.98Å; K643-W653 PolarHBondContact N-O 3.19Å; K643-W653 VanDerWaalsContact N-O 3.1Å; V646-W653 HydrophobicContact CG2-CB 4.17Å; V646-W653 HydrophobicContact CG2-CG 3.95Å; L648-W653 HydrophobicContact CD2-CZ2 4.28Å; L648-W653 WeakPolarHBondContact O-CZ2 3.37Å; L648-W653 PolarHBondContact O-NE1 2.9Å; L648-W653 VanDerWaalsContact O-NE1 3.11Å; A650-W653 VanDerWaalsContact O-CD1 3.24Å; A650-W653 PolarHBondContact O-NE1 3.05Å; A650-W653 VanDerWaalsContact O-NE1 3.1Å
654	Y	97.1	Very high	91.3	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	159.1	-173.3	-54.3	-79	0	0	0	112.2	P539 L543 Y623 R626 P628 L640 S641 I642 K643	P539-Y654 HydrophobicContact CB-CE1 4.39Å; P539-Y654 PolarHBondContact O-OH 3.38Å; L543-Y654 HydrophobicContact CB-CE1 4.16Å; L543-Y654 HydrophobicContact CD1-CE1 4.44Å; L543-Y654 HydrophobicContact CD2-CE1 4.41Å; Y623-Y654 HydrophobicContact CD2-CD2 4.35Å; Y623-Y654 AromaticContact CD2-CE2 3.57Å; Y623-Y654 HydrophobicContact CD2-CE2 3.57Å; Y623-Y654 AromaticContact CD2-CZ 3.8Å; Y623-Y654 HydrophobicContact CE2-CD1 4.38Å; Y623-Y654 AromaticContact CE2-CD2 3.89Å; Y623-Y654 HydrophobicContact CE2-CD2 3.89Å; Y623-Y654 AromaticContact CE2-CE1 3.96Å; Y623-Y654 HydrophobicContact CE2-CE1 3.96Å; Y623-Y654 AromaticContact CE2-CE2 3.41Å; Y623-Y654 HydrophobicContact CE2-CE2 3.41Å; Y623-Y654 VanDerWaalsContact CE2-CE2 3.41Å; Y623-Y654 HydrophobicContact CE2-CG 4.38Å; Y623-Y654 AromaticContact CE2-CZ 3.47Å; Y623-Y654 VanDerWaalsContact CE2-CZ 3.47Å; R626-Y654 HydrophobicContact CB-CD2 4.17Å; R626-Y654 HydrophobicContact CB-CE2 3.77Å; P628-Y654 WeakPolarHBondContact CG-O 3.41Å; L640-Y654 HydrophobicContact CB-CD1 4.46Å; L640-Y654 HydrophobicContact CB-CG 4.23Å; S641-Y654 CarbonylContact O-C 3.56Å; S641-Y654 WeakPolarHBondContact O-CA 3.43Å; I642-Y654 HydrophobicContact CG1-CD1 4.03Å; I642-Y654 HydrophobicContact CG1-CE1 3.81Å; K643-Y654 WeakPolarHBondContact CE-O 3.47Å
655	N	95.1	Very high	91.5	Very high	38 Å²	38	72.2 Å²	72.2	20%	0.203	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	165.5	174.4	-56.6	-56.1	0	0	0	111.4	S641 I642 K643 Q657	S641-N655 PolarHBondContact O-N 2.94Å; S641-N655 PolarHBondContact O-ND2 3.42Å; S641-N655 WeakPolarHBondContact OG-CB 3.25Å; S641-N655 PolarHBondContact OG-ND2 3.14Å; I642-N655 VanDerWaalsContact C-ND2 3.35Å; I642-N655 PolarHBondContact O-ND2 2.83Å; K643-N655 WeakPolarHBondContact CG-OD1 3.45Å; N655-Q657 HydrophobicContact CB-CB 4.24Å; N655-Q657 HydrophobicContact CB-CG 4.47Å; N655-Q657 PolarHBondContact O-N 3.44Å
656	C	95.8	Very high	91.9	Very high	78 Å²	78	70.6 Å²	70.6	53%	0.527	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	48.4	167.1	-60.2	0	0	0	0	112.1	M631	M631-C656 HydrophobicContact CG-CB 4Å; M631-C656 VanDerWaalsContact SD-CA 3.57Å; M631-C656 HydrophobicContact SD-CB 3.6Å
657	Q	95	Very high	92.4	Very high	126 Å²	126	69.4 Å²	69.4	59%	0.589	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145	143	-175.2	-69.6	179.6	-13.7	0	0	110.4	L640 S641 N655	L640-Q657 CarbonylContact C-O 3.57Å; L640-Q657 VanDerWaalsContact CA-O 3.27Å; L640-Q657 WeakPolarHBondContact CA-O 3.24Å; L640-Q657 WeakPolarHBondContact CD2-O 3.49Å; S641-Q657 PolarHBondContact N-O 2.98Å; N655-Q657 HydrophobicContact CB-CB 4.24Å; N655-Q657 HydrophobicContact CB-CG 4.47Å; N655-Q657 PolarHBondContact O-N 3.44Å
658	A	95.5	Very high	92.8	Very high	57 Å²	57	64 Å²	64	47%	0.471	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.5	173.9	0	0	0	0	0	112.3	P637 Y639 G660	P637-A658 HydrophobicContact CB-CB 3.71Å; P637-A658 HydrophobicContact CG-CB 3.9Å; Y639-A658 CarbonylContact O-C 3.59Å; Y639-A658 WeakPolarHBondContact O-CA 3.23Å; A658-G660 PolarHBondContact O-N 2.68Å
659	L	95.6	Very high	93.1	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.084	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-73	123.3	169	-172.8	64.4	0	0	0	109.4	L543 Y639 K663 L664 M667	L543-L659 HydrophobicContact CD1-CD2 4.36Å; L543-L659 HydrophobicContact CD2-CD1 4.32Å; L543-L659 HydrophobicContact CD2-CD2 3.9Å; L543-L659 HydrophobicContact CG-CD2 4.36Å; Y639-L659 WeakPolarHBondContact O-CB 3.37Å; Y639-L659 PolarHBondContact O-N 3.13Å; L659-K663 HydrophobicContact CD1-CB 4.08Å; L659-K663 HydrophobicContact CD1-CD 3.97Å; L659-K663 HydrophobicContact CG-CB 4.22Å; L659-L664 HydrophobicContact CB-CD1 4.39Å; L659-L664 HydrophobicContact CB-CG 4.4Å; L659-L664 HydrophobicContact CD2-CD2 3.82Å; L659-L664 HydrophobicContact CD2-CG 3.82Å; L659-L664 HydrophobicContact CG-CG 4.1Å; L659-L664 WeakPolarHBondContact O-CD1 3.14Å; L659-M667 HydrophobicContact CD2-SD 4.26Å
660	G	92.4	Very high	93.5	Very high	44 Å²	44	61.3 Å²	61.3	45%	0.454	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.5	139.4	-176	0	0	0	0	0	113.3	A658 N662 K663 L664	A658-G660 PolarHBondContact O-N 2.68Å; G660-N662 PolarHBondContact O-N 2.96Å; G660-N662 VanDerWaalsContact O-N 3.09Å; G660-K663 WeakPolarHBondContact O-CB 3.34Å; G660-K663 PolarHBondContact O-N 3.16Å; G660-L664 PolarHBondContact O-N 3.45Å
661	K	88.9	Confident	93.8	Very high	136 Å²	136	59.7 Å²	59.7	59%	0.591	33%	0.325	S	S	*	.	H	α-helix	trans	-50.7	-38.3	-176	-62.6	-171.2	176.1	-176.9	0	113.3	K663 L664 A665	K661-K663 VanDerWaalsContact C-N 3.35Å; K661-K663 PolarHBondContact O-N 3.22Å; K661-L664 PolarHBondContact O-N 3.42Å; K661-A665 WeakPolarHBondContact O-CB 3.45Å; K661-A665 PolarHBondContact O-N 3.02Å
662	N	89.8	Confident	94	Very high	132 Å²	132	55 Å²	55	71%	0.706	30%	0.301	S	S	*	.	H	α-helix	trans	-68	-29.4	178.6	-66.4	-1.8	0	0	0	113.5	G660 K666	G660-N662 PolarHBondContact O-N 2.96Å; G660-N662 VanDerWaalsContact O-N 3.09Å; N662-K666 WeakPolarHBondContact O-CB 3.31Å; N662-K666 WeakPolarHBondContact O-CG 3.26Å; N662-K666 PolarHBondContact O-N 2.96Å
663	K	92.6	Very high	94.1	Very high	148 Å²	148	57.7 Å²	57.7	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-72.4	-47.9	171.7	-71.6	-171	174.9	-176.1	0	110.2	L659 G660 K661 A665 K666 M667	L659-K663 HydrophobicContact CD1-CB 4.08Å; L659-K663 HydrophobicContact CD1-CD 3.97Å; L659-K663 HydrophobicContact CG-CB 4.22Å; G660-K663 WeakPolarHBondContact O-CB 3.34Å; G660-K663 PolarHBondContact O-N 3.16Å; K661-K663 VanDerWaalsContact C-N 3.35Å; K661-K663 PolarHBondContact O-N 3.22Å; K663-A665 PolarHBondContact O-N 2.81Å; K663-K666 CarbonylContact O-C 3.58Å; K663-K666 PolarHBondContact O-N 3.5Å; K663-K666 VanDerWaalsContact O-N 3.09Å; K663-M667 VanDerWaalsContact O-CG 3.3Å; K663-M667 WeakPolarHBondContact O-CG 3.05Å; K663-M667 PolarHBondContact O-N 2.91Å; K663-M667 VanDerWaalsContact O-N 3.09Å
664	L	93	Very high	94	Very high	9 Å²	9	62.3 Å²	62.3	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-54.1	-49	175.4	-77.5	160.4	0	0	0	112.1	Y639 L659 G660 K661 K666 M667 N683	Y639-L664 HydrophobicContact CD2-CD2 3.7Å; Y639-L664 HydrophobicContact CE2-CD2 4.39Å; Y639-L664 HydrophobicContact CG-CD2 3.93Å; L659-L664 HydrophobicContact CB-CD1 4.39Å; L659-L664 HydrophobicContact CB-CG 4.4Å; L659-L664 HydrophobicContact CD2-CD2 3.82Å; L659-L664 HydrophobicContact CD2-CG 3.82Å; L659-L664 HydrophobicContact CG-CG 4.1Å; L659-L664 WeakPolarHBondContact O-CD1 3.14Å; G660-L664 PolarHBondContact O-N 3.45Å; K661-L664 PolarHBondContact O-N 3.42Å; L664-K666 PolarHBondContact O-N 3.28Å; L664-M667 HydrophobicContact CD2-SD 3.83Å; L664-M667 PolarHBondContact O-N 3.24Å; L664-N683 PolarHBondContact O-ND2 3.08Å
665	A	88.6	Confident	94	Very high	67 Å²	67	62.3 Å²	62.3	55%	0.554	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-23.2	179.1	0	0	0	0	0	114.4	K661 K663	K661-A665 WeakPolarHBondContact O-CB 3.45Å; K661-A665 PolarHBondContact O-N 3.02Å; K663-A665 PolarHBondContact O-N 2.81Å
666	K	92.9	Very high	94	Very high	103 Å²	103	66.5 Å²	66.5	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-102.6	1.2	180	-66.9	-177.5	177.7	-175.5	0	113.5	N662 K663 L664 V668 K669 T670	N662-K666 WeakPolarHBondContact O-CB 3.31Å; N662-K666 WeakPolarHBondContact O-CG 3.26Å; N662-K666 PolarHBondContact O-N 2.96Å; K663-K666 CarbonylContact O-C 3.58Å; K663-K666 PolarHBondContact O-N 3.5Å; K663-K666 VanDerWaalsContact O-N 3.09Å; L664-K666 PolarHBondContact O-N 3.28Å; K666-V668 PolarHBondContact O-N 2.96Å; K666-K669 WeakPolarHBondContact O-CB 3.46Å; K666-K669 PolarHBondContact O-N 3.1Å; K666-K669 VanDerWaalsContact O-N 3.09Å; K666-T670 PolarHBondContact O-N 2.88Å; K666-T670 PolarHBondContact O-OG1 3.26Å
667	M	94.4	Very high	93.9	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.059	33%	0.334	C	S	.	.	H	α-helix	trans	-53.4	-52.8	-171.5	-76.8	-173.2	71.8	0	0	114.6	L543 N544 W547 L659 K663 L664 K669 T670 M671	L543-M667 HydrophobicContact CG-CE 4.46Å; N544-M667 HydrophobicContact CB-CE 4.44Å; N544-M667 VanDerWaalsContact OD1-CE 3.31Å; N544-M667 WeakPolarHBondContact OD1-CE 3.34Å; W547-M667 HydrophobicContact CB-CE 3.5Å; W547-M667 HydrophobicContact CB-SD 4.02Å; W547-M667 VanDerWaalsContact CD1-SD 3.56Å; W547-M667 HydrophobicContact CD2-CB 4.46Å; W547-M667 HydrophobicContact CD2-CE 4.02Å; W547-M667 HydrophobicContact CD2-SD 3.78Å; W547-M667 HydrophobicContact CE3-CB 4.4Å; W547-M667 HydrophobicContact CE3-CE 4.36Å; W547-M667 HydrophobicContact CE3-SD 4.48Å; W547-M667 HydrophobicContact CG-CE 3.62Å; W547-M667 HydrophobicContact CG-SD 3.5Å; L659-M667 HydrophobicContact CD2-SD 4.26Å; K663-M667 VanDerWaalsContact O-CG 3.3Å; K663-M667 WeakPolarHBondContact O-CG 3.05Å; K663-M667 PolarHBondContact O-N 2.91Å; K663-M667 VanDerWaalsContact O-N 3.09Å; L664-M667 HydrophobicContact CD2-SD 3.83Å; L664-M667 PolarHBondContact O-N 3.24Å; M667-K669 VanDerWaalsContact C-N 3.34Å; M667-K669 PolarHBondContact O-N 3.46Å; M667-T670 PolarHBondContact O-N 2.87Å; M667-M671 WeakPolarHBondContact O-CG 3.48Å; M667-M671 PolarHBondContact O-N 3.29Å
668	V	94.5	Very high	93.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.4	-38.4	179.4	178.3	0	0	0	0	111.5	W547 K666 M671 C672 K681 T682 N683 V686	W547-V668 HydrophobicContact CH2-CG2 3.78Å; W547-V668 HydrophobicContact CZ3-CG2 3.52Å; K666-V668 PolarHBondContact O-N 2.96Å; V668-M671 HydrophobicContact CB-CE 4.29Å; V668-M671 HydrophobicContact CG1-CE 4.2Å; V668-M671 HydrophobicContact CG2-CE 3.95Å; V668-C672 WeakPolarHBondContact O-CB 3.45Å; V668-C672 PolarHBondContact O-N 3.44Å; V668-C672 PolarHBondContact O-SG 3.31Å; V668-C672 VanDerWaalsContact O-SG 3.32Å; V668-K681 HydrophobicContact CG1-CB 3.94Å; V668-T682 VanDerWaalsContact CB-C 3.45Å; V668-T682 WeakPolarHBondContact CB-O 3.38Å; V668-T682 VanDerWaalsContact CG1-O 3.23Å; V668-T682 WeakPolarHBondContact CG1-O 3.42Å; V668-N683 WeakPolarHBondContact CG2-OD1 3.18Å; V668-N683 PolarHBondContact N-OD1 3.44Å; V668-N683 VanDerWaalsContact N-OD1 3.09Å; V668-V686 HydrophobicContact CG2-CG2 3.75Å
669	K	94.2	Very high	93.1	Very high	77 Å²	77	61.8 Å²	61.8	34%	0.335	34%	0.338	S	S	.	.	H	α-helix	trans	-56.4	-57.3	176	174.5	177.5	175.8	-179.1	0	109.4	K666 M667 M671 C672 E673 K681	K666-K669 WeakPolarHBondContact O-CB 3.46Å; K666-K669 PolarHBondContact O-N 3.1Å; K666-K669 VanDerWaalsContact O-N 3.09Å; M667-K669 VanDerWaalsContact C-N 3.34Å; M667-K669 PolarHBondContact O-N 3.46Å; K669-M671 PolarHBondContact O-N 2.98Å; K669-C672 PolarHBondContact O-N 2.94Å; K669-E673 WeakPolarHBondContact CE-OE1 3.33Å; K669-E673 VanDerWaalsContact CG-CD 3.48Å; K669-E673 HydrophobicContact CG-CG 4.46Å; K669-E673 WeakPolarHBondContact CG-OE1 3.33Å; K669-E673 WeakPolarHBondContact CG-OE2 3.39Å; K669-E673 IonicContact NZ-OE1 2.65Å; K669-E673 WeakPolarHBondContact O-CB 3.31Å; K669-E673 VanDerWaalsContact O-CG 3.23Å; K669-E673 WeakPolarHBondContact O-CG 3.34Å; K669-E673 PolarHBondContact O-N 2.92Å; K669-K681 WeakPolarHBondContact CA-O 3.16Å
670	T	95.8	Very high	92.7	Very high	51 Å²	51	66.1 Å²	66.1	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-38.4	-176.4	-59.1	0	0	0	0	113.7	K666 M667 E673 K674	K666-T670 PolarHBondContact O-N 2.88Å; K666-T670 PolarHBondContact O-OG1 3.26Å; M667-T670 PolarHBondContact O-N 2.87Å; T670-E673 WeakPolarHBondContact CA-OE2 3.09Å; T670-K674 HydrophobicContact CG2-CD 4.36Å; T670-K674 WeakPolarHBondContact O-CB 3.48Å; T670-K674 WeakPolarHBondContact O-CG 3.44Å; T670-K674 PolarHBondContact O-N 2.78Å
671	M	95.8	Very high	92.6	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-70.6	-36.3	176	79.6	-179.1	179.5	0	0	111.9	L520 L528 L534 N544 L548 M667 V668 K669 G675	L520-M671 HydrophobicContact CD2-CE 4.13Å; L528-M671 HydrophobicContact CD1-CE 4.03Å; L528-M671 HydrophobicContact CD1-CG 4.16Å; L528-M671 HydrophobicContact CD1-SD 4.2Å; L528-M671 HydrophobicContact CD2-CB 4.43Å; L528-M671 HydrophobicContact CD2-CG 4.34Å; L528-M671 WeakPolarHBondContact CD2-O 3.48Å; L534-M671 HydrophobicContact CD2-SD 4.01Å; N544-M671 HydrophobicContact CB-SD 4.3Å; L548-M671 HydrophobicContact CD2-CE 4.5Å; M667-M671 WeakPolarHBondContact O-CG 3.48Å; M667-M671 PolarHBondContact O-N 3.29Å; V668-M671 HydrophobicContact CB-CE 4.29Å; V668-M671 HydrophobicContact CG1-CE 4.2Å; V668-M671 HydrophobicContact CG2-CE 3.95Å; K669-M671 PolarHBondContact O-N 2.98Å; M671-G675 WeakPolarHBondContact O-CA 3.29Å; M671-G675 PolarHBondContact O-N 2.84Å
672	C	95.9	Very high	92.7	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-70.1	-36.8	175.6	-73.6	0	0	0	0	112.6	V668 K669 G675 N676 I677 K681	V668-C672 WeakPolarHBondContact O-CB 3.45Å; V668-C672 PolarHBondContact O-N 3.44Å; V668-C672 PolarHBondContact O-SG 3.31Å; V668-C672 VanDerWaalsContact O-SG 3.32Å; K669-C672 PolarHBondContact O-N 2.94Å; C672-G675 CarbonylContact O-C 3.56Å; C672-G675 WeakPolarHBondContact O-CA 3.31Å; C672-G675 PolarHBondContact O-N 3.27Å; C672-N676 PolarHBondContact O-N 2.84Å; C672-I677 HydrophobicContact CB-CB 3.92Å; C672-I677 HydrophobicContact CB-CG1 4.18Å; C672-I677 PolarHBondContact O-N 3.31Å; C672-K681 HydrophobicContact CB-CB 3.74Å; C672-K681 HydrophobicContact CB-CG 3.87Å; C672-K681 VanDerWaalsContact SG-CB 3.56Å
673	E	95.8	Very high	92.7	Very high	109 Å²	109	54.6 Å²	54.6	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-53.9	172.3	-73.8	163.5	162.8	0	0	111.2	K669 T670 G675 N676	K669-E673 WeakPolarHBondContact CE-OE1 3.33Å; K669-E673 VanDerWaalsContact CG-CD 3.48Å; K669-E673 HydrophobicContact CG-CG 4.46Å; K669-E673 WeakPolarHBondContact CG-OE1 3.33Å; K669-E673 WeakPolarHBondContact CG-OE2 3.39Å; K669-E673 IonicContact NZ-OE1 2.65Å; K669-E673 WeakPolarHBondContact O-CB 3.31Å; K669-E673 VanDerWaalsContact O-CG 3.23Å; K669-E673 WeakPolarHBondContact O-CG 3.34Å; K669-E673 PolarHBondContact O-N 2.92Å; T670-E673 WeakPolarHBondContact CA-OE2 3.09Å; E673-G675 PolarHBondContact O-N 3.48Å; E673-N676 PolarHBondContact O-N 2.71Å
674	K	96.4	Very high	92.3	Very high	99 Å²	99	53 Å²	53	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-32	172	-71.2	178.4	172	-179.7	0	112.5	R531 L533 E540 T670 N676	R531-K674 PolarHBondContact NH1-O 2.82Å; R531-K674 VanDerWaalsContact NH1-O 3.08Å; L533-K674 HydrophobicContact CD1-CB 3.77Å; L533-K674 HydrophobicContact CD2-CB 3.75Å; L533-K674 HydrophobicContact CD2-CD 3.94Å; L533-K674 HydrophobicContact CD2-CG 4.5Å; L533-K674 HydrophobicContact CG-CB 4.44Å; E540-K674 IonicContact OE1-NZ 3.26Å; E540-K674 PolarHBondContact OE1-NZ 2.85Å; E540-K674 IonicContact OE2-NZ 3.77Å; E540-K674 PolarHBondContact OE2-NZ 3.11Å; T670-K674 HydrophobicContact CG2-CD 4.36Å; T670-K674 WeakPolarHBondContact O-CB 3.48Å; T670-K674 WeakPolarHBondContact O-CG 3.44Å; T670-K674 PolarHBondContact O-N 2.78Å; K674-N676 PolarHBondContact O-N 3.35Å
675	G	95.6	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-11.7	176.6	0	0	0	0	0	114.4	R531 L533 M671 C672 E673 I677	R531-G675 WeakPolarHBondContact CD-O 3.34Å; R531-G675 PolarHBondContact NE-O 3.24Å; R531-G675 VanDerWaalsContact NH1-C 3.35Å; R531-G675 PolarHBondContact NH1-O 3.31Å; L533-G675 VanDerWaalsContact CD1-CA 3.49Å; L533-G675 VanDerWaalsContact CD1-N 3.33Å; M671-G675 WeakPolarHBondContact O-CA 3.29Å; M671-G675 PolarHBondContact O-N 2.84Å; C672-G675 CarbonylContact O-C 3.56Å; C672-G675 WeakPolarHBondContact O-CA 3.31Å; C672-G675 PolarHBondContact O-N 3.27Å; E673-G675 PolarHBondContact O-N 3.48Å; G675-I677 PolarHBondContact O-N 3.06Å
676	N	95.6	Very high	92	Very high	127 Å²	127	49.4 Å²	49.4	68%	0.679	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	40.4	-165.5	-161.5	72.4	0	0	0	112.1	C672 E673 K674	C672-N676 PolarHBondContact O-N 2.84Å; E673-N676 PolarHBondContact O-N 2.71Å; K674-N676 PolarHBondContact O-N 3.35Å
677	I	94.6	Very high	91.3	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.067	25%	0.249	C	C	.	.			trans	-78.7	124.7	178.2	-55.9	-56	0	0	0	107.9	D524 I527 L528 C672 G675 K681	D524-I677 HydrophobicContact CB-CD1 4.29Å; D524-I677 HydrophobicContact CB-CG2 3.89Å; I527-I677 HydrophobicContact CB-CD1 3.83Å; I527-I677 HydrophobicContact CD1-CD1 4.3Å; I527-I677 HydrophobicContact CG2-CD1 3.58Å; L528-I677 HydrophobicContact CD2-CD1 4.41Å; L528-I677 HydrophobicContact CD2-CG1 4.01Å; L528-I677 HydrophobicContact CG-CD1 4.25Å; L528-I677 HydrophobicContact CG-CG1 4.16Å; C672-I677 HydrophobicContact CB-CB 3.92Å; C672-I677 HydrophobicContact CB-CG1 4.18Å; C672-I677 PolarHBondContact O-N 3.31Å; G675-I677 PolarHBondContact O-N 3.06Å; I677-K681 HydrophobicContact CG2-CD 4.44Å; I677-K681 HydrophobicContact CG2-CG 4.2Å
678	P	87.8	Confident	90.3	Very high	99 Å²	99	50 Å²	50	64%	0.643	25%	0.254	S	S	*	.	S	Bend	trans	-70.4	148.2	-174.1	27.8	-34.9	0	0	0	113.1	K681	P678-K681 WeakPolarHBondContact O-CE 3.46Å
679	G	86.3	Confident	89.1	Confident	49 Å²	49	50.7 Å²	50.7	51%	0.505	26%	0.259	S	S	.	.	S	Bend	trans	79.6	166.3	177	0	0	0	0	0	114.3	K681	G679-K681 PolarHBondContact O-N 3.35Å; G679-K681 VanDerWaalsContact O-N 3.17Å
680	R	86.8	Confident	87.5	Confident	107 Å²	107	49 Å²	49	40%	0.404	26%	0.256	S	S	.	.			trans	-73.1	111.3	-175.7	-168.5	179.2	-173	-105.7	0.4	110.7	H515 S517 M518 T682	H515-R680 WeakPolarHBondContact O-CD 3.46Å; H515-R680 PolarHBondContact O-NH1 3.46Å; S517-R680 CarbonylContact C-O 3.56Å; S517-R680 VanDerWaalsContact CA-O 3.23Å; S517-R680 WeakPolarHBondContact CA-O 3.49Å; M518-R680 PolarHBondContact N-O 2.89Å; R680-T682 HydrophobicContact CG-CG2 4.39Å
681	K	90.1	Very high	85.3	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.057	26%	0.262	C	S	.	.			trans	-107.9	139.2	173.5	-49.9	-73.9	170.1	149.7	0	109.5	M518 K519 D524 V668 K669 C672 I677 P678 G679 S685	M518-K681 HydrophobicContact CB-CD 4.34Å; K519-K681 PolarHBondContact O-NZ 2.86Å; D524-K681 IonicContact OD1-NZ 3.14Å; D524-K681 IonicContact OD2-NZ 3.81Å; D524-K681 PolarHBondContact OD2-NZ 3.44Å; V668-K681 HydrophobicContact CG1-CB 3.94Å; K669-K681 WeakPolarHBondContact CA-O 3.16Å; C672-K681 HydrophobicContact CB-CB 3.74Å; C672-K681 HydrophobicContact CB-CG 3.87Å; C672-K681 VanDerWaalsContact SG-CB 3.56Å; I677-K681 HydrophobicContact CG2-CD 4.44Å; I677-K681 HydrophobicContact CG2-CG 4.2Å; P678-K681 WeakPolarHBondContact O-CE 3.46Å; G679-K681 PolarHBondContact O-N 3.35Å; G679-K681 VanDerWaalsContact O-N 3.17Å; K681-S685 WeakPolarHBondContact CA-OG 3.38Å
682	T	90.7	Very high	82.7	Confident	26 Å²	26	52.6 Å²	52.6	16%	0.16	28%	0.281	C	S	.	.			trans	-144	177	178.3	69.7	0	0	0	0	109.4	S517 V668 R680 F684 S685	S517-T682 VanDerWaalsContact CB-OG1 3.23Å; S517-T682 WeakPolarHBondContact CB-OG1 3.22Å; S517-T682 PolarHBondContact OG-OG1 3.03Å; V668-T682 VanDerWaalsContact CB-C 3.45Å; V668-T682 WeakPolarHBondContact CB-O 3.38Å; V668-T682 VanDerWaalsContact CG1-O 3.23Å; V668-T682 WeakPolarHBondContact CG1-O 3.42Å; R680-T682 HydrophobicContact CG-CG2 4.39Å; T682-F684 PolarHBondContact O-N 3.32Å; T682-F684 VanDerWaalsContact O-N 3.11Å; T682-F684 PolarHBondContact OG1-N 2.6Å; T682-S685 PolarHBondContact N-OG 2.75Å; T682-S685 WeakPolarHBondContact O-CA 3.38Å; T682-S685 WeakPolarHBondContact O-CB 3.48Å; T682-S685 PolarHBondContact O-N 3.12Å; T682-S685 PolarHBondContact O-OG 3.07Å
683	N	89.9	Confident	80	Confident	31 Å²	31	57 Å²	57	17%	0.166	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.5	178.5	-68.4	9.8	0	0	0	112.4	W547 L664 V668 S685 V686 Y687	W547-N683 HydrophobicContact CH2-CB 3.97Å; W547-N683 HydrophobicContact CZ2-CB 4.3Å; W547-N683 WeakPolarHBondContact CZ2-ND2 3.43Å; L664-N683 PolarHBondContact O-ND2 3.08Å; V668-N683 WeakPolarHBondContact CG2-OD1 3.18Å; V668-N683 PolarHBondContact N-OD1 3.44Å; V668-N683 VanDerWaalsContact N-OD1 3.09Å; N683-S685 PolarHBondContact O-N 3.3Å; N683-V686 PolarHBondContact O-N 2.88Å; N683-Y687 VanDerWaalsContact O-CD2 3.3Å; N683-Y687 WeakPolarHBondContact O-CD2 3.49Å
684	F	84	Confident	77.4	Confident	116 Å²	116	55.4 Å²	55.4	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-64.7	-16.9	172.9	-164.6	-107.4	0	0	0	114.2	T682 V686 Q688	T682-F684 PolarHBondContact O-N 3.32Å; T682-F684 VanDerWaalsContact O-N 3.11Å; T682-F684 PolarHBondContact OG1-N 2.6Å; F684-V686 VanDerWaalsContact C-N 3.26Å; F684-V686 PolarHBondContact O-N 3.4Å; F684-Q688 HydrophobicContact CD1-CG 4.04Å; F684-Q688 VanDerWaalsContact CD1-NE2 3.32Å; F684-Q688 HydrophobicContact CE1-CG 3.74Å; F684-Q688 HydrophobicContact CZ-CG 4.39Å; F684-Q688 WeakPolarHBondContact O-CG 3.33Å; F684-Q688 PolarHBondContact O-N 3.34Å; F684-Q688 PolarHBondContact O-NE2 3.15Å; F684-Q688 VanDerWaalsContact O-NE2 3.15Å
685	S	88.1	Confident	74.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-23.6	173.2	-61.7	0	0	0	0	113.7	M518 L520 K681 T682 N683 S689	M518-S685 WeakPolarHBondContact O-CB 3.34Å; M518-S685 PolarHBondContact O-OG 3Å; L520-S685 PolarHBondContact N-O 2.8Å; K681-S685 WeakPolarHBondContact CA-OG 3.38Å; T682-S685 PolarHBondContact N-OG 2.75Å; T682-S685 WeakPolarHBondContact O-CA 3.38Å; T682-S685 WeakPolarHBondContact O-CB 3.48Å; T682-S685 PolarHBondContact O-N 3.12Å; T682-S685 PolarHBondContact O-OG 3.07Å; N683-S685 PolarHBondContact O-N 3.3Å; S685-S689 PolarHBondContact O-N 3.05Å
686	V	86.8	Confident	72	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-77.9	-45.9	177.3	-180	0	0	0	0	110.5	L520 W547 L548 T551 K552 V668 N683 F684 Q688 S689 C690	L520-V686 HydrophobicContact CD2-CG2 4.15Å; W547-V686 HydrophobicContact CZ3-CG2 4.25Å; L548-V686 HydrophobicContact CD1-CB 4.38Å; L548-V686 HydrophobicContact CD1-CG1 3.86Å; L548-V686 HydrophobicContact CD1-CG2 3.53Å; T551-V686 HydrophobicContact CG2-CB 4.32Å; T551-V686 HydrophobicContact CG2-CG1 3.94Å; K552-V686 HydrophobicContact CG-CG1 3.66Å; V668-V686 HydrophobicContact CG2-CG2 3.75Å; N683-V686 PolarHBondContact O-N 2.88Å; F684-V686 VanDerWaalsContact C-N 3.26Å; F684-V686 PolarHBondContact O-N 3.4Å; V686-Q688 VanDerWaalsContact C-N 3.28Å; V686-Q688 PolarHBondContact O-N 3.35Å; V686-S689 WeakPolarHBondContact O-CA 3.49Å; V686-S689 WeakPolarHBondContact O-CB 3.49Å; V686-S689 PolarHBondContact O-N 3.5Å; V686-S689 PolarHBondContact O-OG 3.3Å; V686-C690 PolarHBondContact O-N 2.89Å; V686-C690 VanDerWaalsContact O-N 3.12Å
687	Y	78.4	Confident	69.5	Low	91 Å²	91	62.1 Å²	62.1	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-41.2	175.8	-60.1	-92.9	0	0	0	111.4	T551 G555 N683 S689 C690 S691	T551-Y687 HydrophobicContact CG2-CE1 4.48Å; T551-Y687 HydrophobicContact CG2-CE2 3.87Å; G555-Y687 WeakPolarHBondContact O-CE1 3.5Å; N683-Y687 VanDerWaalsContact O-CD2 3.3Å; N683-Y687 WeakPolarHBondContact O-CD2 3.49Å; Y687-S689 VanDerWaalsContact C-N 3.25Å; Y687-S689 PolarHBondContact O-N 2.75Å; Y687-C690 PolarHBondContact O-N 2.9Å; Y687-S691 PolarHBondContact O-N 2.85Å
688	Q	72.5	Confident	66.9	Low	36 Å²	36	63 Å²	63	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-18.2	171.6	-71.4	175	101	0	0	114.5	S517 K519 F684 V686 S691	S517-Q688 PolarHBondContact O-NE2 3.48Å; S517-Q688 PolarHBondContact O-OE1 2.99Å; K519-Q688 HydrophobicContact CB-CB 4.22Å; F684-Q688 HydrophobicContact CD1-CG 4.04Å; F684-Q688 VanDerWaalsContact CD1-NE2 3.32Å; F684-Q688 HydrophobicContact CE1-CG 3.74Å; F684-Q688 HydrophobicContact CZ-CG 4.39Å; F684-Q688 WeakPolarHBondContact O-CG 3.33Å; F684-Q688 PolarHBondContact O-N 3.34Å; F684-Q688 PolarHBondContact O-NE2 3.15Å; F684-Q688 VanDerWaalsContact O-NE2 3.15Å; V686-Q688 VanDerWaalsContact C-N 3.28Å; V686-Q688 PolarHBondContact O-N 3.35Å; Q688-S691 WeakPolarHBondContact CA-OG 3.47Å; Q688-S691 PolarHBondContact O-OG 2.92Å
689	S	69.6	Low	64.6	Low	15 Å²	15	64 Å²	64	11%	0.105	36%	0.355	C	S	.	.	H	α-helix	trans	-79.1	-38.1	172.1	83.4	0	0	0	0	111.2	L520 S685 V686 Y687 T692	L520-S689 WeakPolarHBondContact O-CB 3.48Å; S685-S689 PolarHBondContact O-N 3.05Å; V686-S689 WeakPolarHBondContact O-CA 3.49Å; V686-S689 WeakPolarHBondContact O-CB 3.49Å; V686-S689 PolarHBondContact O-N 3.5Å; V686-S689 PolarHBondContact O-OG 3.3Å; Y687-S689 VanDerWaalsContact C-N 3.25Å; Y687-S689 PolarHBondContact O-N 2.75Å; S689-T692 PolarHBondContact O-OG1 3.28Å
690	C	62.2	Low	62.3	Low	41 Å²	41	67.9 Å²	67.9	28%	0.277	36%	0.36	S	S	.	.	H	α-helix	trans	-68.4	-43.5	172.4	-62.8	0	0	0	0	112.9	V686 Y687 T692 L693 S694	V686-C690 PolarHBondContact O-N 2.89Å; V686-C690 VanDerWaalsContact O-N 3.12Å; Y687-C690 PolarHBondContact O-N 2.9Å; C690-T692 VanDerWaalsContact C-N 3.27Å; C690-T692 PolarHBondContact O-N 3.26Å; C690-L693 WeakPolarHBondContact O-CB 3.37Å; C690-L693 PolarHBondContact O-N 3.35Å; C690-S694 PolarHBondContact O-N 3.16Å
691	S	48.6	Very low	60	Low	62 Å²	62	66.1 Å²	66.1	43%	0.434	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-33.1	-176.7	69.1	0	0	0	0	113.3	Y687 Q688 L693 S694 E695	Y687-S691 PolarHBondContact O-N 2.85Å; Q688-S691 WeakPolarHBondContact CA-OG 3.47Å; Q688-S691 PolarHBondContact O-OG 2.92Å; S691-L693 PolarHBondContact O-N 3.17Å; S691-S694 WeakPolarHBondContact O-CA 3.46Å; S691-S694 WeakPolarHBondContact O-CB 3.17Å; S691-S694 PolarHBondContact O-N 3.09Å; S691-E695 PolarHBondContact O-N 3.23Å
692	T	41.8	Very low	57.8	Low	67 Å²	67	69.2 Å²	69.2	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-71.4	-6.4	174.6	55.9	0	0	0	0	115.2	K519 S689 C690	K519-T692 HydrophobicContact CD-CG2 3.97Å; K519-T692 WeakPolarHBondContact CE-OG1 3.34Å; K519-T692 PolarHBondContact NZ-OG1 2.73Å; S689-T692 PolarHBondContact O-OG1 3.28Å; C690-T692 VanDerWaalsContact C-N 3.27Å; C690-T692 PolarHBondContact O-N 3.26Å
693	L	39.6	Very low	55.5	Low	96 Å²	96	72.8 Å²	72.8	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-85.5	-37.4	160.3	-67	162.8	0	0	0	109.8	C690 S691 E695 A696 Q697 S698	C690-L693 WeakPolarHBondContact O-CB 3.37Å; C690-L693 PolarHBondContact O-N 3.35Å; S691-L693 PolarHBondContact O-N 3.17Å; L693-E695 VanDerWaalsContact C-N 3.34Å; L693-E695 PolarHBondContact O-N 3.2Å; L693-A696 PolarHBondContact O-N 2.86Å; L693-Q697 CarbonylContact O-C 3.45Å; L693-Q697 PolarHBondContact O-N 2.75Å; L693-S698 PolarHBondContact O-N 3.3Å
694	S	40.8	Very low	53.1	Low	76 Å²	76	74.8 Å²	74.8	53%	0.531	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-31.9	-172.7	-162.4	0	0	0	0	114.6	C690 S691 A696	C690-S694 PolarHBondContact O-N 3.16Å; S691-S694 WeakPolarHBondContact O-CA 3.46Å; S691-S694 WeakPolarHBondContact O-CB 3.17Å; S691-S694 PolarHBondContact O-N 3.09Å; S694-A696 VanDerWaalsContact C-N 3.26Å; S694-A696 PolarHBondContact O-N 3.47Å
695	E	38.6	Very low	50.9	Low	185 Å²	185	72.6 Å²	72.6	86%	0.864	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.6	-174.8	-158.7	163.5	-135.7	0	0	114	S691 L693	S691-E695 PolarHBondContact O-N 3.23Å; L693-E695 VanDerWaalsContact C-N 3.34Å; L693-E695 PolarHBondContact O-N 3.2Å
696	A	40.1	Very low	48.7	Very low	85 Å²	85	75.6 Å²	75.6	70%	0.702	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.3	-36.6	175.5	0	0	0	0	0	114.7	L693 S694	L693-A696 PolarHBondContact O-N 2.86Å; S694-A696 VanDerWaalsContact C-N 3.26Å; S694-A696 PolarHBondContact O-N 3.47Å
697	Q	42.2	Very low	46.5	Very low	97 Å²	97	79.2 Å²	79.2	45%	0.453	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.6	-19.2	-160.5	-75.1	-176.1	-19.4	0	0	117.5	L693 N699 Q700 L701	L693-Q697 CarbonylContact O-C 3.45Å; L693-Q697 PolarHBondContact O-N 2.75Å; Q697-N699 PolarHBondContact O-N 3.1Å; Q697-Q700 PolarHBondContact O-N 2.86Å; Q697-L701 HydrophobicContact CB-CB 4.37Å; Q697-L701 HydrophobicContact CB-CD1 3.87Å; Q697-L701 HydrophobicContact CB-CG 3.94Å; Q697-L701 HydrophobicContact CG-CD1 3.87Å; Q697-L701 HydrophobicContact CG-CG 4.1Å; Q697-L701 WeakPolarHBondContact O-CB 3.44Å; Q697-L701 PolarHBondContact O-N 3.4Å
698	S	40	Very low	44.8	Very low	30 Å²	30	79.7 Å²	79.7	21%	0.21	45%	0.448	C	S	.	.	H	α-helix	trans	-55.6	-58.4	-163.3	-163.9	0	0	0	0	114.3	L693 Q700 V702	L693-S698 PolarHBondContact O-N 3.3Å; S698-Q700 VanDerWaalsContact C-N 3.34Å; S698-Q700 PolarHBondContact O-N 3.44Å; S698-V702 WeakPolarHBondContact O-CB 3.05Å; S698-V702 VanDerWaalsContact O-CG2 3.28Å; S698-V702 WeakPolarHBondContact O-CG2 3.35Å; S698-V702 PolarHBondContact O-N 3.19Å; S698-V702 VanDerWaalsContact O-N 3.11Å
699	N	39	Very low	43.3	Very low	121 Å²	121	81.7 Å²	81.7	65%	0.647	47%	0.466	S	S	*	.	H	α-helix	trans	-74.9	-28.2	-171.3	-63.8	-0.5	0	0	0	111.8	Q697 L703	Q697-N699 PolarHBondContact O-N 3.1Å; N699-L703 WeakPolarHBondContact O-CB 3.36Å; N699-L703 WeakPolarHBondContact O-CD1 3.23Å; N699-L703 VanDerWaalsContact O-CG 3.22Å; N699-L703 WeakPolarHBondContact O-CG 3.3Å
700	Q	38.9	Very low	42.3	Very low	131 Å²	131	85.9 Å²	85.9	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-80.9	-52.4	175.7	-74.5	-67.2	-13.8	0	0	112	Q697 S698 V702 L703 I704	Q697-Q700 PolarHBondContact O-N 2.86Å; S698-Q700 VanDerWaalsContact C-N 3.34Å; S698-Q700 PolarHBondContact O-N 3.44Å; Q700-V702 PolarHBondContact O-N 3.27Å; Q700-L703 CarbonylContact O-C 3.18Å; Q700-L703 PolarHBondContact O-N 2.88Å; Q700-I704 HydrophobicContact CB-CD1 4.26Å; Q700-I704 WeakPolarHBondContact O-CB 3.2Å; Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 WeakPolarHBondContact O-CG1 3.32Å; Q700-I704 PolarHBondContact O-N 2.87Å
701	L	37.5	Very low	41.6	Very low	69 Å²	69	89.5 Å²	89.5	36%	0.361	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-32.7	-178	-76.2	-165.2	0	0	0	114.1	Q697 L703 I704 C705	Q697-L701 HydrophobicContact CB-CB 4.37Å; Q697-L701 HydrophobicContact CB-CD1 3.87Å; Q697-L701 HydrophobicContact CB-CG 3.94Å; Q697-L701 HydrophobicContact CG-CD1 3.87Å; Q697-L701 HydrophobicContact CG-CG 4.1Å; Q697-L701 WeakPolarHBondContact O-CB 3.44Å; Q697-L701 PolarHBondContact O-N 3.4Å; L701-L703 VanDerWaalsContact C-N 3.33Å; L701-I704 HydrophobicContact CD2-CB 4.47Å; L701-I704 HydrophobicContact CD2-CD1 4.22Å; L701-I704 PolarHBondContact O-N 3.48Å; L701-C705 VanDerWaalsContact O-CB 3.27Å; L701-C705 WeakPolarHBondContact O-CB 3.29Å; L701-C705 PolarHBondContact O-N 3.36Å; L701-C705 PolarHBondContact O-SG 2.87Å; L701-C705 VanDerWaalsContact O-SG 3.33Å
702	V	45.4	Very low	41.3	Very low	79 Å²	79	89 Å²	89	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-40.4	173.1	175.2	0	0	0	0	110.3	S698 Q700 N706	S698-V702 WeakPolarHBondContact O-CB 3.05Å; S698-V702 VanDerWaalsContact O-CG2 3.28Å; S698-V702 WeakPolarHBondContact O-CG2 3.35Å; S698-V702 PolarHBondContact O-N 3.19Å; S698-V702 VanDerWaalsContact O-N 3.11Å; Q700-V702 PolarHBondContact O-N 3.27Å; V702-N706 VanDerWaalsContact O-CB 3.23Å; V702-N706 WeakPolarHBondContact O-CB 3.41Å; V702-N706 PolarHBondContact O-N 3.46Å; V702-N706 PolarHBondContact O-ND2 2.89Å
703	L	41.6	Very low	41.5	Very low	101 Å²	101	88.8 Å²	88.8	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-40.4	173.5	-70.9	177.8	0	0	0	112.6	N699 Q700 L701 N706 N707	N699-L703 WeakPolarHBondContact O-CB 3.36Å; N699-L703 WeakPolarHBondContact O-CD1 3.23Å; N699-L703 VanDerWaalsContact O-CG 3.22Å; N699-L703 WeakPolarHBondContact O-CG 3.3Å; Q700-L703 CarbonylContact O-C 3.18Å; Q700-L703 PolarHBondContact O-N 2.88Å; L701-L703 VanDerWaalsContact C-N 3.33Å; L703-N706 PolarHBondContact O-N 3.28Å; L703-N707 VanDerWaalsContact O-CB 3.3Å; L703-N707 WeakPolarHBondContact O-CB 3.15Å; L703-N707 PolarHBondContact O-N 2.8Å; L703-N707 PolarHBondContact O-ND2 2.84Å
704	I	40.5	Very low	41.8	Very low	72 Å²	72	90.3 Å²	90.3	37%	0.369	51%	0.506	S	S	.	.	H	α-helix	trans	-66.8	-45.9	179.2	-70.8	162.3	0	0	0	110.4	Q700 L701 N707 L708	Q700-I704 HydrophobicContact CB-CD1 4.26Å; Q700-I704 WeakPolarHBondContact O-CB 3.2Å; Q700-I704 WeakPolarHBondContact O-CD1 3.43Å; Q700-I704 WeakPolarHBondContact O-CG1 3.32Å; Q700-I704 PolarHBondContact O-N 2.87Å; L701-I704 HydrophobicContact CD2-CB 4.47Å; L701-I704 HydrophobicContact CD2-CD1 4.22Å; L701-I704 PolarHBondContact O-N 3.48Å; I704-N707 PolarHBondContact O-N 2.89Å; I704-L708 HydrophobicContact CG2-CD1 4.11Å; I704-L708 WeakPolarHBondContact O-CB 3Å; I704-L708 WeakPolarHBondContact O-CD1 3.17Å; I704-L708 PolarHBondContact O-N 2.8Å
705	C	37.3	Very low	41.9	Very low	71 Å²	71	89.6 Å²	89.6	48%	0.48	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-44.6	174.3	-71.5	0	0	0	0	111.7	L701 N707 L708 S709	L701-C705 VanDerWaalsContact O-CB 3.27Å; L701-C705 WeakPolarHBondContact O-CB 3.29Å; L701-C705 PolarHBondContact O-N 3.36Å; L701-C705 PolarHBondContact O-SG 2.87Å; L701-C705 VanDerWaalsContact O-SG 3.33Å; C705-N707 VanDerWaalsContact C-N 3.31Å; C705-N707 PolarHBondContact O-N 2.84Å; C705-L708 PolarHBondContact O-N 2.89Å; C705-S709 PolarHBondContact O-N 2.79Å; C705-S709 PolarHBondContact O-OG 3.2Å
706	N	41.9	Very low	42.3	Very low	62 Å²	62	86.2 Å²	86.2	33%	0.332	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-32.7	177	-70.9	-16	0	0	0	112.5	V702 L703 Q710	V702-N706 VanDerWaalsContact O-CB 3.23Å; V702-N706 WeakPolarHBondContact O-CB 3.41Å; V702-N706 PolarHBondContact O-N 3.46Å; V702-N706 PolarHBondContact O-ND2 2.89Å; L703-N706 PolarHBondContact O-N 3.28Å; N706-Q710 WeakPolarHBondContact O-CG 3.46Å; N706-Q710 PolarHBondContact O-N 3.07Å; N706-Q710 PolarHBondContact O-NE2 3.39Å
707	N	41.1	Very low	42.5	Very low	76 Å²	76	84.9 Å²	84.9	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-75	-40.4	174	-82.6	-72.2	0	0	0	112.2	L703 I704 C705 S709 Q710 Q711	L703-N707 VanDerWaalsContact O-CB 3.3Å; L703-N707 WeakPolarHBondContact O-CB 3.15Å; L703-N707 PolarHBondContact O-N 2.8Å; L703-N707 PolarHBondContact O-ND2 2.84Å; I704-N707 PolarHBondContact O-N 2.89Å; C705-N707 VanDerWaalsContact C-N 3.31Å; C705-N707 PolarHBondContact O-N 2.84Å; N707-S709 PolarHBondContact O-N 2.76Å; N707-Q710 PolarHBondContact O-N 3.25Å; N707-Q711 WeakPolarHBondContact O-CB 3.46Å; N707-Q711 WeakPolarHBondContact O-CG 3.36Å; N707-Q711 PolarHBondContact O-N 3.28Å
708	L	40.8	Very low	42.3	Very low	101 Å²	101	82.9 Å²	82.9	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-40.7	174.1	-100.3	64.3	0	0	0	111.6	I704 C705 Q710 Q711 A712	I704-L708 HydrophobicContact CG2-CD1 4.11Å; I704-L708 WeakPolarHBondContact O-CB 3Å; I704-L708 WeakPolarHBondContact O-CD1 3.17Å; I704-L708 PolarHBondContact O-N 2.8Å; C705-L708 PolarHBondContact O-N 2.89Å; L708-Q710 VanDerWaalsContact C-N 3.34Å; L708-Q710 PolarHBondContact O-N 3.42Å; L708-Q711 PolarHBondContact O-N 3.43Å; L708-A712 VanDerWaalsContact O-CB 3.28Å; L708-A712 WeakPolarHBondContact O-CB 3.15Å; L708-A712 PolarHBondContact O-N 3.49Å
709	S	42.7	Very low	42.4	Very low	79 Å²	79	89.5 Å²	89.5	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-37.1	173.4	-68.3	0	0	0	0	112.6	C705 N707 A713	C705-S709 PolarHBondContact O-N 2.79Å; C705-S709 PolarHBondContact O-OG 3.2Å; N707-S709 PolarHBondContact O-N 2.76Å; S709-A713 WeakPolarHBondContact O-CB 3.31Å; S709-A713 PolarHBondContact O-N 3.12Å
710	Q	48.5	Very low	42.4	Very low	103 Å²	103	87.9 Å²	87.9	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-68.5	-43.8	173.4	-76.5	170.7	93.2	0	0	112.1	N706 N707 L708 A712 A713 Q714	N706-Q710 WeakPolarHBondContact O-CG 3.46Å; N706-Q710 PolarHBondContact O-N 3.07Å; N706-Q710 PolarHBondContact O-NE2 3.39Å; N707-Q710 PolarHBondContact O-N 3.25Å; L708-Q710 VanDerWaalsContact C-N 3.34Å; L708-Q710 PolarHBondContact O-N 3.42Å; Q710-A712 VanDerWaalsContact C-N 3.35Å; Q710-A712 PolarHBondContact O-N 2.88Å; Q710-A713 PolarHBondContact O-N 3.27Å; Q710-Q714 WeakPolarHBondContact O-CB 3.39Å; Q710-Q714 WeakPolarHBondContact O-CG 3.47Å; Q710-Q714 PolarHBondContact O-N 3.01Å
711	Q	46.8	Very low	42.4	Very low	116 Å²	116	88.6 Å²	88.6	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-65.3	-36.8	177.2	-72	175.4	9.5	0	0	112.1	N707 L708 Q714 S715	N707-Q711 WeakPolarHBondContact O-CB 3.46Å; N707-Q711 WeakPolarHBondContact O-CG 3.36Å; N707-Q711 PolarHBondContact O-N 3.28Å; L708-Q711 PolarHBondContact O-N 3.43Å; Q711-Q714 PolarHBondContact O-N 2.67Å; Q711-S715 WeakPolarHBondContact O-CB 3.42Å; Q711-S715 PolarHBondContact O-N 3.38Å; Q711-S715 PolarHBondContact O-OG 3.27Å
712	A	41.9	Very low	42.3	Very low	52 Å²	52	91 Å²	91	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-40.6	173.6	0	0	0	0	0	112.3	L708 Q710 Q714 S715 V716	L708-A712 VanDerWaalsContact O-CB 3.28Å; L708-A712 WeakPolarHBondContact O-CB 3.15Å; L708-A712 PolarHBondContact O-N 3.49Å; Q710-A712 VanDerWaalsContact C-N 3.35Å; Q710-A712 PolarHBondContact O-N 2.88Å; A712-Q714 VanDerWaalsContact C-N 3.34Å; A712-S715 PolarHBondContact O-OG 3.22Å; A712-V716 WeakPolarHBondContact O-CG2 3.5Å; A712-V716 PolarHBondContact O-N 2.96Å
713	A	46.2	Very low	41.5	Very low	63 Å²	63	92.6 Å²	92.6	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-39.9	172.9	0	0	0	0	0	111.7	S709 Q710 A717	S709-A713 WeakPolarHBondContact O-CB 3.31Å; S709-A713 PolarHBondContact O-N 3.12Å; Q710-A713 PolarHBondContact O-N 3.27Å; A713-A717 WeakPolarHBondContact O-CB 2.78Å; A713-A717 PolarHBondContact O-N 2.88Å
714	Q	45.3	Very low	41.3	Very low	127 Å²	127	95.7 Å²	95.7	59%	0.593	58%	0.575	S	S	*	*	H	α-helix	trans	-71.5	-35.3	179	-72.8	168.2	7.1	0	0	113.1	Q710 Q711 A712 A717 G718	Q710-Q714 WeakPolarHBondContact O-CB 3.39Å; Q710-Q714 WeakPolarHBondContact O-CG 3.47Å; Q710-Q714 PolarHBondContact O-N 3.01Å; Q711-Q714 PolarHBondContact O-N 2.67Å; A712-Q714 VanDerWaalsContact C-N 3.34Å; Q714-A717 PolarHBondContact O-N 2.93Å; Q714-G718 PolarHBondContact O-N 3.31Å
715	S	43.5	Very low	40.7	Very low	61 Å²	61	101 Å²	101	43%	0.427	60%	0.596	S	S	.	*	H	α-helix	trans	-71.7	-37.4	176.1	66.6	0	0	0	0	112.3	Q711 A712 G718 H719	Q711-S715 WeakPolarHBondContact O-CB 3.42Å; Q711-S715 PolarHBondContact O-N 3.38Å; Q711-S715 PolarHBondContact O-OG 3.27Å; A712-S715 PolarHBondContact O-OG 3.22Å; S715-G718 PolarHBondContact O-N 3.42Å; S715-H719 PolarHBondContact O-CD2 2.88Å; S715-H719 PolarHBondContact O-N 3.47Å
716	V	47.3	Very low	40.4	Very low	114 Å²	114	104.1 Å²	104.1	69%	0.691	61%	0.606	S	S	*	*	H	α-helix	trans	-65.4	-39.8	172.4	173.8	0	0	0	0	111.2	A712	A712-V716 WeakPolarHBondContact O-CG2 3.5Å; A712-V716 PolarHBondContact O-N 2.96Å
717	A	45.2	Very low	39.8	Very low	58 Å²	58	107.8 Å²	107.8	48%	0.479	63%	0.631	S	S	.	*	H	α-helix	trans	-69.9	-35.3	173.9	0	0	0	0	0	113.2	A713 Q714 H719 S720	A713-A717 WeakPolarHBondContact O-CB 2.78Å; A713-A717 PolarHBondContact O-N 2.88Å; Q714-A717 PolarHBondContact O-N 2.93Å; A717-H719 VanDerWaalsContact C-N 3.3Å; A717-H719 PolarHBondContact O-N 2.76Å; A717-S720 PolarHBondContact O-N 2.98Å; A717-S720 PolarHBondContact O-OG 3.43Å
718	G	36.5	Very low	39.2	Very low	55 Å²	55	108.7 Å²	108.7	57%	0.567	64%	0.643	S	S	*	*	H	α-helix	trans	-69.3	-22.1	-176.6	0	0	0	0	0	114.7	Q714 S715	Q714-G718 PolarHBondContact O-N 3.31Å; S715-G718 PolarHBondContact O-N 3.42Å
719	H	41.9	Very low	38.5	Very low	169 Å²	169	109.5 Å²	109.5	78%	0.782	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-0.6	-179.5	-71.4	-48.6	0	0	0	115	S715 A717	S715-H719 PolarHBondContact O-CD2 2.88Å; S715-H719 PolarHBondContact O-N 3.47Å; A717-H719 VanDerWaalsContact C-N 3.3Å; A717-H719 PolarHBondContact O-N 2.76Å
720	S	39.2	Very low	37.8	Very low	86 Å²	86	115.6 Å²	115.6	60%	0.601	67%	0.669	S	S	*	*	S	Bend	trans	-91.7	-10.7	-178.9	62.8	0	0	0	0	115.2	A717	A717-S720 PolarHBondContact O-N 2.98Å; A717-S720 PolarHBondContact O-OG 3.43Å
721	N	38.9	Very low	36.8	Very low	146 Å²	146	117.3 Å²	117.3	78%	0.781	68%	0.682	S	S	*	*	S	Bend	trans	-117.6	52.2	-166.6	-85.4	-26.3	0	0	0	115.4
722	S	37	Very low	36.1	Very low	120 Å²	120	116.9 Å²	116.9	84%	0.839	69%	0.691	S	S	*	*	S	Bend	trans	-160.1	62.2	159	57.2	0	0	0	0	115.4
723	S	28.7	Very low	35.6	Very low	113 Å²	113	119.9 Å²	119.9	79%	0.79	71%	0.709	S	S	*	*			trans	-152.5	111.3	155.5	-168.9	0	0	0	0	111.8
724	N	36.9	Very low	35.1	Very low	165 Å²	165	121.9 Å²	121.9	88%	0.882	72%	0.719	S	S	*	*			trans	-89.4	118.4	168.4	-76.7	-53.1	0	0	0	108.9
725	F	27.7	Very low	34.4	Very low	184 Å²	184	123.2 Å²	123.2	81%	0.807	73%	0.731	S	S	*	*			trans	-143.7	104.7	155.8	-133.4	-87.3	0	0	0	113.1
726	I	29.6	Very low	34.1	Very low	136 Å²	136	126.3 Å²	126.3	70%	0.697	75%	0.747	S	S	*	*			trans	22.3	121.6	153.6	-56	179.9	0	0	0	118.2
727	V	30.1	Very low	33.4	Very low	139 Å²	139	129.2 Å²	129.2	84%	0.842	78%	0.783	S	S	*	*			trans	-75.5	129.8	161.4	173.3	0	0	0	0	110.6
728	S	27.6	Very low	32.8	Very low	96 Å²	96	132.8 Å²	132.8	67%	0.671	80%	0.799	S	S	*	*			trans	-146.4	93.8	154.4	62.2	0	0	0	0	110.3
729	S	26.6	Very low	32.6	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	81%	0.811	S	S	*	*			trans	-79.4	134	163.3	-176	0	0	0	0	108.8
730	Y	28.3	Very low	32.1	Very low	208 Å²	208	135.1 Å²	135.1	82%	0.816	81%	0.812	S	S	*	*			trans	-134.7	161.8	163.1	65.6	-99.7	0	0	0	109.8
731	D	28.6	Very low	31.6	Very low	139 Å²	139	138 Å²	138	74%	0.743	83%	0.825	S	S	*	*			trans	-92.3	167.4	-155	-149.9	-21.4	0	0	0	113.9
732	S	31.5	Very low	31.2	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	83%	0.828	S	S	*	*			trans	-20.1	133.7	165.9	-54.1	0	0	0	0	117.6
733	S	30.2	Very low	30.8	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	83%	0.827	S	S	*	*				-166.5	152.6	113.1	-166.9	0	0	0	0	111.4
734	S	36	Very low	31	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	83%	0.83	S	S	*	*			trans	-66.1	147.4	153.6	-48.3	0	0	0	0	109.9
735	D	31.6	Very low	30.5	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	83%	0.825	S	S	*	*				-163.2	173	120.6	-125.3	-29.4	0	0	0	114
736	T	36	Very low	30.7	Very low	125 Å²	125	134.8 Å²	134.8	77%	0.767	83%	0.827	S	S	*	*			trans	-62.5	139.1	-172.9	57.3	0	0	0	0	116.9
737	A	32.7	Very low	30.8	Very low	176 Å²	176	134.7 Å²	134.7	100%	1.455	84%	0.839	S	S	*	*				-175.6	0	123.3	0	0	0	0	0	111.5

Retrieved 737 of 737 residues in 102 ms (Link to these results)

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