A0A3Q0KNA7_SCHMA Loading...

Katanin p60 ATPase-containing subunit A-like 2 AlphaSync

Severs microtubules in vitro in an ATP-dependent manner. This activity may promote rapid reorganization of cellular microtubule arrays.

AlphaFold DB , UniProt , Accession A0A3Q0KNA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene KATNAL2, Length 578 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.7	Low	65.8	Low	209 Å²	209	127.6 Å²	127.6	100%	1.03	66%	0.655	S	S	*	*				0	-43.3	0	-79.7	-160.9	-82.5	0	0	113	E3 L4 S5	M1-E3 PolarHBondContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-S5 PolarHBondContact O-N 3.15Å
2	S	54	Low	66.7	Low	101 Å²	101	121.2 Å²	121.2	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-48.4	-49.9	177.2	39.6	0	0	0	0	114.6	L4 S5 Y6	S2-L4 VanDerWaalsContact C-N 3.28Å; S2-L4 PolarHBondContact O-N 3.11Å; S2-S5 WeakPolarHBondContact O-CB 3.48Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 VanDerWaalsContact O-N 3.11Å; S2-Y6 PolarHBondContact O-N 3.18Å; S2-Y6 VanDerWaalsContact O-N 3.15Å
3	E	50.9	Low	67.6	Low	160 Å²	160	118.2 Å²	118.2	75%	0.748	62%	0.62	S	S	*	*	H	α-helix	trans	-59	-35.5	-179.2	-62.1	178.5	125.1	0	0	113.6	M1 S5 Y6 C7	M1-E3 PolarHBondContact O-N 3.16Å; E3-S5 VanDerWaalsContact C-N 3.32Å; E3-S5 PolarHBondContact O-N 3.06Å; E3-Y6 PolarHBondContact O-N 3.48Å; E3-C7 WeakPolarHBondContact O-CB 3.23Å; E3-C7 PolarHBondContact O-N 3.47Å
4	L	54.5	Low	68.6	Low	129 Å²	129	118.7 Å²	118.7	68%	0.675	62%	0.618	S	S	*	*	H	α-helix	trans	-67.1	-36.3	179.2	-163.3	70.1	0	0	0	111.1	M1 S2 M8	M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.48Å; S2-L4 VanDerWaalsContact C-N 3.28Å; S2-L4 PolarHBondContact O-N 3.11Å; L4-M8 VanDerWaalsContact O-CG 3.23Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 3.35Å; L4-M8 VanDerWaalsContact O-N 3.11Å
5	S	65.6	Low	69.5	Low	68 Å²	68	114.3 Å²	114.3	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-67.3	-39.7	173.5	-168.4	0	0	0	0	112	M1 S2 E3 M8 M9	M1-S5 PolarHBondContact O-N 3.15Å; S2-S5 WeakPolarHBondContact O-CB 3.48Å; S2-S5 PolarHBondContact O-N 3.27Å; S2-S5 VanDerWaalsContact O-N 3.11Å; E3-S5 VanDerWaalsContact C-N 3.32Å; E3-S5 PolarHBondContact O-N 3.06Å; S5-M8 PolarHBondContact O-N 3.25Å; S5-M9 PolarHBondContact O-N 3.11Å; S5-M9 VanDerWaalsContact O-N 3.11Å
6	Y	71.3	Confident	70.1	Confident	160 Å²	160	118.3 Å²	118.3	63%	0.627	61%	0.61	S	S	*	*	H	α-helix	trans	-64.9	-43	176.3	-177.6	-109.4	0	0	0	111.8	S2 E3 M8 M9 R10	S2-Y6 PolarHBondContact O-N 3.18Å; S2-Y6 VanDerWaalsContact O-N 3.15Å; E3-Y6 PolarHBondContact O-N 3.48Å; Y6-M8 PolarHBondContact O-N 2.94Å; Y6-M9 PolarHBondContact O-N 2.95Å; Y6-R10 PolarHBondContact O-N 3.09Å
7	C	74.4	Confident	70.4	Confident	79 Å²	79	117.8 Å²	117.8	53%	0.534	60%	0.604	S	S	.	*	H	α-helix	trans	-60.5	-44.5	176	-167.3	0	0	0	0	112.2	E3 R10 S11	E3-C7 WeakPolarHBondContact O-CB 3.23Å; E3-C7 PolarHBondContact O-N 3.47Å; C7-R10 PolarHBondContact O-N 3.35Å; C7-S11 PolarHBondContact O-N 3.05Å
8	M	74.3	Confident	70.9	Confident	142 Å²	142	113.6 Å²	113.6	70%	0.7	59%	0.587	S	S	*	*	H	α-helix	trans	-61.8	-44.2	176.6	-69.6	-108.9	-74.1	0	0	112.6	L4 S5 Y6 S11 A12	L4-M8 VanDerWaalsContact O-CG 3.23Å; L4-M8 WeakPolarHBondContact O-CG 3.49Å; L4-M8 PolarHBondContact O-N 3.35Å; L4-M8 VanDerWaalsContact O-N 3.11Å; S5-M8 PolarHBondContact O-N 3.25Å; Y6-M8 PolarHBondContact O-N 2.94Å; M8-S11 PolarHBondContact O-N 3.11Å; M8-A12 WeakPolarHBondContact O-CB 3.45Å; M8-A12 PolarHBondContact O-N 3.12Å
9	M	72.7	Confident	71.4	Confident	112 Å²	112	114.9 Å²	114.9	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-65.3	-39.8	177	-74	-173.5	-72.6	0	0	112.5	S5 Y6 A12 N13	S5-M9 PolarHBondContact O-N 3.11Å; S5-M9 VanDerWaalsContact O-N 3.11Å; Y6-M9 PolarHBondContact O-N 2.95Å; M9-A12 PolarHBondContact O-N 3.4Å; M9-N13 PolarHBondContact O-N 3.42Å
10	R	76.3	Confident	71.7	Confident	169 Å²	169	116.2 Å²	116.2	64%	0.638	59%	0.593	S	S	*	*	H	α-helix	trans	-61.1	-45.4	175.2	-173.2	177.4	-178.2	176.4	2.3	111.6	Y6 C7 N13 Q14	Y6-R10 PolarHBondContact O-N 3.09Å; C7-R10 PolarHBondContact O-N 3.35Å; R10-N13 PolarHBondContact O-N 3.1Å; R10-Q14 WeakPolarHBondContact O-CB 3.44Å; R10-Q14 PolarHBondContact O-N 2.99Å
11	S	78	Confident	72	Confident	75 Å²	75	116.7 Å²	116.7	52%	0.524	59%	0.594	S	S	.	*	H	α-helix	trans	-60.9	-44.2	176.4	-174.5	0	0	0	0	112.2	C7 M8 N13 Q14 A15	C7-S11 PolarHBondContact O-N 3.05Å; M8-S11 PolarHBondContact O-N 3.11Å; S11-N13 PolarHBondContact O-N 3.17Å; S11-Q14 PolarHBondContact O-N 2.72Å; S11-A15 WeakPolarHBondContact O-CB 3.5Å; S11-A15 PolarHBondContact O-N 3.01Å
12	A	77.3	Confident	73.3	Confident	50 Å²	50	114.9 Å²	114.9	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-64.8	-38	179.1	0	0	0	0	0	113.5	M8 M9 R16	M8-A12 WeakPolarHBondContact O-CB 3.45Å; M8-A12 PolarHBondContact O-N 3.12Å; M9-A12 PolarHBondContact O-N 3.4Å; A12-R16 WeakPolarHBondContact O-CG 3.48Å; A12-R16 PolarHBondContact O-N 3.33Å
13	N	77.6	Confident	74.3	Confident	83 Å²	83	112.6 Å²	112.6	44%	0.444	56%	0.559	S	S	.	*	H	α-helix	trans	-69.8	-45.6	174.3	-77.3	-4.4	0	0	0	111.7	M9 R10 S11 A15 R16 E17	M9-N13 PolarHBondContact O-N 3.42Å; R10-N13 PolarHBondContact O-N 3.1Å; S11-N13 PolarHBondContact O-N 3.17Å; N13-A15 PolarHBondContact O-N 3.36Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 3.48Å; N13-E17 WeakPolarHBondContact O-CG 3.46Å; N13-E17 PolarHBondContact O-N 3.16Å
14	Q	82.3	Confident	75.4	Confident	125 Å²	125	108.7 Å²	108.7	58%	0.584	55%	0.546	S	S	*	.	H	α-helix	trans	-60.6	-34.8	177.6	-169.4	173.7	9.5	0	0	112.2	R10 S11 S18	R10-Q14 WeakPolarHBondContact O-CB 3.44Å; R10-Q14 PolarHBondContact O-N 2.99Å; S11-Q14 PolarHBondContact O-N 2.72Å; Q14-S18 WeakPolarHBondContact O-CB 3.47Å; Q14-S18 PolarHBondContact O-N 3.21Å; Q14-S18 VanDerWaalsContact O-N 3.08Å
15	A	81.7	Confident	76.5	Confident	53 Å²	53	104.7 Å²	104.7	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-47.6	172.1	0	0	0	0	0	112	S11 N13 S18 E19	S11-A15 WeakPolarHBondContact O-CB 3.5Å; S11-A15 PolarHBondContact O-N 3.01Å; N13-A15 PolarHBondContact O-N 3.36Å; A15-S18 PolarHBondContact O-N 2.86Å; A15-S18 PolarHBondContact O-OG 3.18Å; A15-E19 PolarHBondContact O-N 3.36Å
16	R	78.5	Confident	77.4	Confident	177 Å²	177	109.5 Å²	109.5	67%	0.668	54%	0.54	S	S	*	.	H	α-helix	trans	-61	-47.3	177.4	-73	170.2	170.7	178.3	-4.6	112.4	A12 N13 S18 E19 E20	A12-R16 WeakPolarHBondContact O-CG 3.48Å; A12-R16 PolarHBondContact O-N 3.33Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 3.48Å; R16-S18 VanDerWaalsContact C-N 3.28Å; R16-S18 PolarHBondContact O-N 2.76Å; R16-E19 PolarHBondContact O-N 3.01Å; R16-E19 VanDerWaalsContact O-N 3.1Å; R16-E20 PolarHBondContact O-N 3.06Å
17	E	76.3	Confident	78	Confident	110 Å²	110	106.7 Å²	106.7	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-56.3	-43.4	175.5	-71	166.5	-169.4	0	0	111	N13 E19 E20 Q21	N13-E17 WeakPolarHBondContact O-CG 3.46Å; N13-E17 PolarHBondContact O-N 3.16Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.37Å; E17-E20 PolarHBondContact O-N 2.77Å; E17-Q21 WeakPolarHBondContact O-CB 3.38Å; E17-Q21 VanDerWaalsContact O-CG 3.23Å; E17-Q21 WeakPolarHBondContact O-CG 3.42Å; E17-Q21 PolarHBondContact O-N 2.89Å
18	S	79.5	Confident	78.4	Confident	42 Å²	42	105.9 Å²	105.9	29%	0.294	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-31.7	177.4	82.8	0	0	0	0	113.6	Q14 A15 R16 R22	Q14-S18 WeakPolarHBondContact O-CB 3.47Å; Q14-S18 PolarHBondContact O-N 3.21Å; Q14-S18 VanDerWaalsContact O-N 3.08Å; A15-S18 PolarHBondContact O-N 2.86Å; A15-S18 PolarHBondContact O-OG 3.18Å; R16-S18 VanDerWaalsContact C-N 3.28Å; R16-S18 PolarHBondContact O-N 2.76Å; S18-R22 WeakPolarHBondContact O-CD 3.48Å; S18-R22 WeakPolarHBondContact O-CG 3.47Å; S18-R22 PolarHBondContact O-N 2.77Å; S18-R22 VanDerWaalsContact O-N 3.1Å
19	E	79.5	Confident	79	Confident	140 Å²	140	103.7 Å²	103.7	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-76.9	-37.9	177.1	-175.2	161.2	-137.3	0	0	111.8	A15 R16 E17 R22 S23	A15-E19 PolarHBondContact O-N 3.36Å; R16-E19 PolarHBondContact O-N 3.01Å; R16-E19 VanDerWaalsContact O-N 3.1Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.37Å; E19-R22 PolarHBondContact O-N 2.83Å; E19-S23 WeakPolarHBondContact O-CB 3.42Å; E19-S23 PolarHBondContact O-N 3.41Å
20	E	77.7	Confident	79.7	Confident	139 Å²	139	103 Å²	103	65%	0.65	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-43.3	172.8	-175.6	162	-153.2	0	0	111.7	R16 E17 R22 S23 T24	R16-E20 PolarHBondContact O-N 3.06Å; E17-E20 PolarHBondContact O-N 2.77Å; E20-R22 VanDerWaalsContact C-N 3.35Å; E20-R22 PolarHBondContact O-N 3.4Å; E20-S23 WeakPolarHBondContact O-CB 3.35Å; E20-S23 PolarHBondContact O-N 3.38Å; E20-S23 VanDerWaalsContact O-N 3.11Å; E20-T24 PolarHBondContact O-N 2.76Å; E20-T24 PolarHBondContact O-OG1 3.16Å
21	Q	78.3	Confident	80.3	Confident	128 Å²	128	98 Å²	98	60%	0.598	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-41	172.5	-72.4	170.5	16.9	0	0	112.3	E17 S23 T24 A25	E17-Q21 WeakPolarHBondContact O-CB 3.38Å; E17-Q21 VanDerWaalsContact O-CG 3.23Å; E17-Q21 WeakPolarHBondContact O-CG 3.42Å; E17-Q21 PolarHBondContact O-N 2.89Å; Q21-S23 VanDerWaalsContact C-N 3.33Å; Q21-S23 PolarHBondContact O-N 3.03Å; Q21-T24 PolarHBondContact O-OG1 2.94Å; Q21-T24 VanDerWaalsContact O-OG1 3.11Å; Q21-A25 VanDerWaalsContact O-CB 3.24Å; Q21-A25 WeakPolarHBondContact O-CB 3.1Å; Q21-A25 PolarHBondContact O-N 3.49Å
22	R	77.8	Confident	80.7	Confident	170 Å²	170	95.2 Å²	95.2	64%	0.642	47%	0.472	S	S	*	.	H	α-helix	trans	-65.2	-35.9	173.4	-73.7	165	-179	-178.6	1.4	112.2	S18 E19 E20 R26	S18-R22 WeakPolarHBondContact O-CD 3.48Å; S18-R22 WeakPolarHBondContact O-CG 3.47Å; S18-R22 PolarHBondContact O-N 2.77Å; S18-R22 VanDerWaalsContact O-N 3.1Å; E19-R22 PolarHBondContact O-N 2.83Å; E20-R22 VanDerWaalsContact C-N 3.35Å; E20-R22 PolarHBondContact O-N 3.4Å; R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.4Å; R22-R26 PolarHBondContact O-N 2.86Å
23	S	75	Confident	81.2	Confident	54 Å²	54	94.3 Å²	94.3	38%	0.378	46%	0.46	S	S	.	.	H	α-helix	trans	-69.5	-44.2	178.6	-170.8	0	0	0	0	112.2	E19 E20 Q21 R26 K27	E19-S23 WeakPolarHBondContact O-CB 3.42Å; E19-S23 PolarHBondContact O-N 3.41Å; E20-S23 WeakPolarHBondContact O-CB 3.35Å; E20-S23 PolarHBondContact O-N 3.38Å; E20-S23 VanDerWaalsContact O-N 3.11Å; Q21-S23 VanDerWaalsContact C-N 3.33Å; Q21-S23 PolarHBondContact O-N 3.03Å; S23-R26 PolarHBondContact O-N 3.45Å; S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.96Å; S23-K27 VanDerWaalsContact O-N 3.07Å
24	T	75.3	Confident	81.8	Confident	77 Å²	77	93.2 Å²	93.2	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-68.9	-42.4	176.4	54.3	0	0	0	0	112	E20 Q21 R26 K27 K28	E20-T24 PolarHBondContact O-N 2.76Å; E20-T24 PolarHBondContact O-OG1 3.16Å; Q21-T24 PolarHBondContact O-OG1 2.94Å; Q21-T24 VanDerWaalsContact O-OG1 3.11Å; T24-R26 PolarHBondContact O-N 3.18Å; T24-K27 PolarHBondContact O-N 3.46Å; T24-K28 PolarHBondContact O-N 3.05Å
25	A	77.9	Confident	82	Confident	45 Å²	45	88 Å²	88	37%	0.372	43%	0.432	S	S	.	.	H	α-helix	trans	-58	-44.8	172.1	0	0	0	0	0	112	Q21 K27 K28 N29	Q21-A25 VanDerWaalsContact O-CB 3.24Å; Q21-A25 WeakPolarHBondContact O-CB 3.1Å; Q21-A25 PolarHBondContact O-N 3.49Å; A25-K27 PolarHBondContact O-N 3.32Å; A25-K28 PolarHBondContact O-N 3.23Å; A25-N29 PolarHBondContact O-N 3.45Å; A25-N29 PolarHBondContact O-OD1 2.98Å; A25-N29 VanDerWaalsContact O-OD1 3.11Å
26	R	83.9	Confident	82.2	Confident	170 Å²	170	88.5 Å²	88.5	64%	0.642	43%	0.425	S	S	*	.	H	α-helix	trans	-60.7	-42.9	176.3	-173	-177.5	-64.4	149.7	1.4	112.4	R22 S23 T24 N29 L30	R22-R26 VanDerWaalsContact O-CB 3.3Å; R22-R26 WeakPolarHBondContact O-CB 3.4Å; R22-R26 PolarHBondContact O-N 2.86Å; S23-R26 PolarHBondContact O-N 3.45Å; T24-R26 PolarHBondContact O-N 3.18Å; R26-N29 PolarHBondContact O-N 3.48Å; R26-L30 HydrophobicContact CG-CD1 4.22Å; R26-L30 WeakPolarHBondContact O-CG 3.28Å; R26-L30 PolarHBondContact O-N 3.05Å; R26-L30 VanDerWaalsContact O-N 3.08Å
27	K	83	Confident	82.6	Confident	101 Å²	101	84.4 Å²	84.4	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-44.6	175.6	-73.2	175.3	-179.1	178.2	0	111.6	S23 T24 A25 L30 L31 S248	S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.96Å; S23-K27 VanDerWaalsContact O-N 3.07Å; T24-K27 PolarHBondContact O-N 3.46Å; A25-K27 PolarHBondContact O-N 3.32Å; K27-L30 PolarHBondContact O-N 2.81Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.48Å; K27-S248 PolarHBondContact NZ-OG 2.69Å
28	K	82.4	Confident	83.1	Confident	62 Å²	62	80.8 Å²	80.8	27%	0.27	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-49.2	177	178.5	179.3	174.3	-178	0	111.9	T24 A25 L30 L31 I32 L56 Y61	T24-K28 PolarHBondContact O-N 3.05Å; A25-K28 PolarHBondContact O-N 3.23Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.23Å; K28-L31 PolarHBondContact O-N 2.92Å; K28-L31 VanDerWaalsContact O-N 3.14Å; K28-I32 HydrophobicContact CG-CD1 3.84Å; K28-I32 WeakPolarHBondContact O-CG1 3.38Å; K28-I32 PolarHBondContact O-N 2.72Å; K28-I32 VanDerWaalsContact O-N 3.09Å; K28-L56 HydrophobicContact CD-CD2 4.39Å; K28-L56 HydrophobicContact CG-CD1 4.45Å; K28-L56 HydrophobicContact CG-CD2 4.21Å; K28-Y61 VanDerWaalsContact NZ-CE1 3.32Å; K28-Y61 PolarHBondContact NZ-OH 3.29Å; K28-Y61 VanDerWaalsContact NZ-OH 3.08Å
29	N	87.1	Confident	83.3	Confident	95 Å²	95	81.7 Å²	81.7	51%	0.508	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-37.3	-178.8	-66.5	15.1	0	0	0	112.1	A25 R26 I32 L33	A25-N29 PolarHBondContact O-N 3.45Å; A25-N29 PolarHBondContact O-OD1 2.98Å; A25-N29 VanDerWaalsContact O-OD1 3.11Å; R26-N29 PolarHBondContact O-N 3.48Å; N29-I32 PolarHBondContact O-N 3.14Å; N29-L33 WeakPolarHBondContact O-CG 3.14Å; N29-L33 PolarHBondContact O-N 2.71Å
30	L	88.9	Confident	83.5	Confident	99 Å²	99	81 Å²	81	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-39	174.2	-74.2	167.5	0	0	0	112.8	R26 K27 K28 V34	R26-L30 HydrophobicContact CG-CD1 4.22Å; R26-L30 WeakPolarHBondContact O-CG 3.28Å; R26-L30 PolarHBondContact O-N 3.05Å; R26-L30 VanDerWaalsContact O-N 3.08Å; K27-L30 PolarHBondContact O-N 2.81Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.18Å; L30-V34 VanDerWaalsContact O-N 3.1Å
31	L	87.4	Confident	83.9	Confident	63 Å²	63	79.1 Å²	79.1	33%	0.33	39%	0.389	S	S	.	.	H	α-helix	trans	-68.2	-37	176.4	-68.9	171	0	0	0	112.1	K27 K28 M35 L50 T54 L56	K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.48Å; K28-L31 PolarHBondContact O-N 2.92Å; K28-L31 VanDerWaalsContact O-N 3.14Å; L31-M35 WeakPolarHBondContact O-CB 3.48Å; L31-M35 PolarHBondContact O-N 3.01Å; L31-L50 HydrophobicContact CD2-CD1 4.45Å; L31-T54 HydrophobicContact CD1-CG2 3.91Å; L31-T54 HydrophobicContact CD2-CG2 4Å; L31-T54 HydrophobicContact CG-CG2 4.45Å; L31-L56 HydrophobicContact CB-CD1 4.05Å; L31-L56 HydrophobicContact CD1-CD1 3.94Å
32	I	86.3	Confident	83.8	Confident	17 Å²	17	75.5 Å²	75.5	9%	0.087	39%	0.385	C	S	.	.	H	α-helix	trans	-66.4	-43.9	175.9	-63	160.5	0	0	0	110.7	K28 N29 V34 M35 H36 F58 Y61 V63	K28-I32 HydrophobicContact CG-CD1 3.84Å; K28-I32 WeakPolarHBondContact O-CG1 3.38Å; K28-I32 PolarHBondContact O-N 2.72Å; K28-I32 VanDerWaalsContact O-N 3.09Å; N29-I32 PolarHBondContact O-N 3.14Å; I32-V34 PolarHBondContact O-N 3.32Å; I32-M35 WeakPolarHBondContact O-CB 3.2Å; I32-M35 PolarHBondContact O-N 3.16Å; I32-H36 PolarHBondContact O-N 3.22Å; I32-F58 HydrophobicContact CG1-CD1 4.44Å; I32-F58 HydrophobicContact CG1-CE1 4.19Å; I32-Y61 HydrophobicContact CD1-CG 4.1Å; I32-V63 HydrophobicContact CG2-CG2 3.78Å
33	L	89.5	Confident	84	Confident	30 Å²	30	73.4 Å²	73.4	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-61	-42.4	175.7	-74.4	166.7	0	0	0	112.7	N29 H36 Y37 V63 V67	N29-L33 WeakPolarHBondContact O-CG 3.14Å; N29-L33 PolarHBondContact O-N 2.71Å; L33-H36 PolarHBondContact O-N 3.24Å; L33-Y37 WeakPolarHBondContact O-CB 3.1Å; L33-Y37 PolarHBondContact O-N 3.04Å; L33-Y37 VanDerWaalsContact O-N 3.09Å; L33-V63 HydrophobicContact CD2-CG1 3.95Å; L33-V63 HydrophobicContact CD2-CG2 4.24Å; L33-V67 HydrophobicContact CD2-CG1 4Å
34	V	90.4	Very high	84.3	Confident	60 Å²	60	74.9 Å²	74.9	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-67.4	-37.2	175.7	173.3	0	0	0	0	111.5	L30 I32 L38 L50	L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.18Å; L30-V34 VanDerWaalsContact O-N 3.1Å; I32-V34 PolarHBondContact O-N 3.32Å; V34-L38 HydrophobicContact CG1-CD1 4.01Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.23Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.1Å; V34-L38 PolarHBondContact O-N 3.03Å; V34-L50 HydrophobicContact CG1-CD2 3.89Å
35	M	84.8	Confident	84.5	Confident	15 Å²	15	79 Å²	79	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-63	-44.6	175.5	-174.4	62.3	73.1	0	0	112.4	L31 I32 L38 S39 A47 L50 F58	L31-M35 WeakPolarHBondContact O-CB 3.48Å; L31-M35 PolarHBondContact O-N 3.01Å; I32-M35 WeakPolarHBondContact O-CB 3.2Å; I32-M35 PolarHBondContact O-N 3.16Å; M35-L38 PolarHBondContact O-N 3.04Å; M35-S39 WeakPolarHBondContact O-CB 3.25Å; M35-S39 PolarHBondContact O-N 3.09Å; M35-S39 PolarHBondContact O-OG 2.94Å; M35-A47 VanDerWaalsContact CE-O 3.29Å; M35-A47 WeakPolarHBondContact CE-O 3.42Å; M35-A47 HydrophobicContact SD-CB 3.63Å; M35-A47 VanDerWaalsContact SD-O 3.34Å; M35-L50 HydrophobicContact CB-CD2 4.48Å; M35-L50 HydrophobicContact CE-CB 3.77Å; M35-L50 HydrophobicContact CE-CD2 3.81Å; M35-L50 HydrophobicContact CE-CG 3.66Å; M35-L50 HydrophobicContact SD-CD2 4.38Å; M35-F58 HydrophobicContact CB-CD1 3.89Å; M35-F58 HydrophobicContact CB-CE1 3.64Å; M35-F58 HydrophobicContact CB-CZ 4.39Å; M35-F58 HydrophobicContact CE-CD1 4.16Å; M35-F58 HydrophobicContact CE-CD2 3.87Å; M35-F58 HydrophobicContact CE-CE1 3.76Å; M35-F58 HydrophobicContact CE-CE2 3.49Å; M35-F58 VanDerWaalsContact CE-CE2 3.49Å; M35-F58 HydrophobicContact CE-CG 4.21Å; M35-F58 HydrophobicContact CE-CZ 3.41Å; M35-F58 VanDerWaalsContact CE-CZ 3.41Å; M35-F58 HydrophobicContact CG-CD1 3.61Å; M35-F58 HydrophobicContact CG-CE1 3.77Å; M35-F58 HydrophobicContact CG-CG 4.09Å; M35-F58 HydrophobicContact CG-CZ 4.4Å
36	H	86.4	Confident	84.8	Confident	64 Å²	64	79.8 Å²	79.8	30%	0.296	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-52.5	178.7	-161.8	-90.2	0	0	0	110.4	I32 L33 L38 S39 E40 V63	I32-H36 PolarHBondContact O-N 3.22Å; L33-H36 PolarHBondContact O-N 3.24Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.32Å; H36-S39 WeakPolarHBondContact O-CA 3.29Å; H36-S39 WeakPolarHBondContact O-CB 3.42Å; H36-S39 PolarHBondContact O-N 2.85Å; H36-E40 IonicContact CE1-OE1 3.48Å; H36-E40 PolarHBondContact CE1-OE1 3.31Å; H36-E40 VanDerWaalsContact CE1-OE1 3.26Å; H36-E40 IonicContact CE1-OE2 3.82Å; H36-E40 PolarHBondContact CE1-OE2 3.13Å; H36-E40 IonicContact CG-OE2 3.26Å; H36-E40 IonicContact ND1-OE1 2.65Å; H36-E40 PolarHBondContact ND1-OE1 3.3Å; H36-E40 IonicContact ND1-OE2 2.8Å; H36-E40 PolarHBondContact ND1-OE2 3.14Å; H36-E40 WeakPolarHBondContact O-CG 3.43Å; H36-E40 PolarHBondContact O-N 2.81Å; H36-V63 HydrophobicContact CB-CB 4.46Å; H36-V63 HydrophobicContact CB-CG2 3.56Å
37	Y	87.6	Confident	84.8	Confident	92 Å²	92	72 Å²	72	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-57.2	-43.3	177.5	-176.7	-110.7	0	0	0	113	L33 S39 E41 L69	L33-Y37 WeakPolarHBondContact O-CB 3.1Å; L33-Y37 PolarHBondContact O-N 3.04Å; L33-Y37 VanDerWaalsContact O-N 3.09Å; Y37-S39 PolarHBondContact O-N 3.36Å; Y37-E41 HydrophobicContact CD2-CG 4.05Å; Y37-E41 HydrophobicContact CE1-CG 4.12Å; Y37-E41 HydrophobicContact CE2-CG 3.53Å; Y37-E41 WeakPolarHBondContact CE2-OE1 3.26Å; Y37-E41 HydrophobicContact CG-CG 4.5Å; Y37-E41 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E41 WeakPolarHBondContact O-CB 3.41Å; Y37-E41 VanDerWaalsContact O-CG 3.31Å; Y37-E41 WeakPolarHBondContact O-CG 3.46Å; Y37-E41 PolarHBondContact O-N 2.67Å; Y37-E41 PolarHBondContact OH-OE1 2.83Å; Y37-L69 HydrophobicContact CD1-CD2 3.83Å; Y37-L69 HydrophobicContact CD2-CB 4.48Å; Y37-L69 HydrophobicContact CD2-CD2 4.42Å; Y37-L69 HydrophobicContact CG-CB 4.45Å; Y37-L69 HydrophobicContact CG-CD2 3.74Å
38	L	87.1	Confident	84.7	Confident	34 Å²	34	72.1 Å²	72.1	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-26.7	174.1	-73.9	172.5	0	0	0	113.4	V34 M35 H36 Y43 A47 L50	V34-L38 HydrophobicContact CG1-CD1 4.01Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.23Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.1Å; V34-L38 PolarHBondContact O-N 3.03Å; M35-L38 PolarHBondContact O-N 3.04Å; H36-L38 VanDerWaalsContact C-N 3.35Å; H36-L38 PolarHBondContact O-N 3.32Å; L38-Y43 HydrophobicContact CD2-CD2 3.92Å; L38-Y43 HydrophobicContact CD2-CG 4.13Å; L38-Y43 CarbonylContact O-C 3.49Å; L38-Y43 WeakPolarHBondContact O-CA 3.38Å; L38-Y43 WeakPolarHBondContact O-CB 3.31Å; L38-Y43 PolarHBondContact O-N 3.47Å; L38-A47 HydrophobicContact CB-CB 4.23Å; L38-L50 HydrophobicContact CD1-CD2 3.79Å
39	S	82.6	Confident	84.9	Confident	61 Å²	61	71.9 Å²	71.9	43%	0.427	38%	0.383	S	S	.	.	H	α-helix	trans	-82.7	-41.4	179.7	-55.9	0	0	0	0	111.8	M35 H36 Y37 G42	M35-S39 WeakPolarHBondContact O-CB 3.25Å; M35-S39 PolarHBondContact O-N 3.09Å; M35-S39 PolarHBondContact O-OG 2.94Å; H36-S39 WeakPolarHBondContact O-CA 3.29Å; H36-S39 WeakPolarHBondContact O-CB 3.42Å; H36-S39 PolarHBondContact O-N 2.85Å; Y37-S39 PolarHBondContact O-N 3.36Å; S39-G42 PolarHBondContact O-N 3.31Å
40	E	84.6	Confident	84.8	Confident	125 Å²	125	68.7 Å²	68.7	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-44.4	176	-69	174.4	117.1	0	0	112.1	H36 G42	H36-E40 IonicContact CE1-OE1 3.48Å; H36-E40 PolarHBondContact CE1-OE1 3.31Å; H36-E40 VanDerWaalsContact CE1-OE1 3.26Å; H36-E40 IonicContact CE1-OE2 3.82Å; H36-E40 PolarHBondContact CE1-OE2 3.13Å; H36-E40 IonicContact CG-OE2 3.26Å; H36-E40 IonicContact ND1-OE1 2.65Å; H36-E40 PolarHBondContact ND1-OE1 3.3Å; H36-E40 IonicContact ND1-OE2 2.8Å; H36-E40 PolarHBondContact ND1-OE2 3.14Å; H36-E40 WeakPolarHBondContact O-CG 3.43Å; H36-E40 PolarHBondContact O-N 2.81Å; E40-G42 PolarHBondContact O-N 3.06Å
41	E	84.7	Confident	84.4	Confident	100 Å²	100	66.1 Å²	66.1	47%	0.467	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.3	175.5	-65.5	-86	177.8	0	0	113.2	Y37 Y43	Y37-E41 HydrophobicContact CD2-CG 4.05Å; Y37-E41 HydrophobicContact CE1-CG 4.12Å; Y37-E41 HydrophobicContact CE2-CG 3.53Å; Y37-E41 WeakPolarHBondContact CE2-OE1 3.26Å; Y37-E41 HydrophobicContact CG-CG 4.5Å; Y37-E41 VanDerWaalsContact CZ-OE1 3.29Å; Y37-E41 WeakPolarHBondContact O-CB 3.41Å; Y37-E41 VanDerWaalsContact O-CG 3.31Å; Y37-E41 WeakPolarHBondContact O-CG 3.46Å; Y37-E41 PolarHBondContact O-N 2.67Å; Y37-E41 PolarHBondContact OH-OE1 2.83Å; E41-Y43 HydrophobicContact CB-CD2 3.56Å; E41-Y43 HydrophobicContact CB-CE2 3.49Å; E41-Y43 VanDerWaalsContact CB-CE2 3.49Å; E41-Y43 HydrophobicContact CG-CE2 4.33Å; E41-Y43 PolarHBondContact O-N 3.43Å
42	G	77.7	Confident	84.1	Confident	51 Å²	51	70.8 Å²	70.8	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	13.2	174.1	0	0	0	0	0	116	S39 E40 V44	S39-G42 PolarHBondContact O-N 3.31Å; E40-G42 PolarHBondContact O-N 3.06Å; G42-V44 PolarHBondContact O-N 3.25Å
43	Y	81.2	Confident	83.9	Confident	126 Å²	126	75.1 Å²	75.1	49%	0.494	39%	0.393	S	S	.	.			trans	-76.9	50	174.2	-59.7	-73.8	0	0	0	112.3	L38 E41 E45 S46 A47	L38-Y43 HydrophobicContact CD2-CD2 3.92Å; L38-Y43 HydrophobicContact CD2-CG 4.13Å; L38-Y43 CarbonylContact O-C 3.49Å; L38-Y43 WeakPolarHBondContact O-CA 3.38Å; L38-Y43 WeakPolarHBondContact O-CB 3.31Å; L38-Y43 PolarHBondContact O-N 3.47Å; E41-Y43 HydrophobicContact CB-CD2 3.56Å; E41-Y43 HydrophobicContact CB-CE2 3.49Å; E41-Y43 VanDerWaalsContact CB-CE2 3.49Å; E41-Y43 HydrophobicContact CG-CE2 4.33Å; E41-Y43 PolarHBondContact O-N 3.43Å; Y43-E45 VanDerWaalsContact C-N 3.27Å; Y43-E45 PolarHBondContact O-N 3.36Å; Y43-E45 VanDerWaalsContact O-N 3.15Å; Y43-S46 WeakPolarHBondContact O-CA 3.48Å; Y43-S46 WeakPolarHBondContact O-CB 3.29Å; Y43-S46 PolarHBondContact O-N 3.02Å; Y43-A47 PolarHBondContact O-N 3.25Å
44	V	81.2	Confident	83.3	Confident	86 Å²	86	75.2 Å²	75.2	52%	0.521	40%	0.396	S	S	.	.	H	α-helix	trans	-57	-35.7	-169.9	-171	0	0	0	0	112.9	G42 M48	G42-V44 PolarHBondContact O-N 3.25Å; V44-M48 HydrophobicContact CG1-CE 4.27Å; V44-M48 WeakPolarHBondContact O-CB 3.43Å; V44-M48 WeakPolarHBondContact O-CG 3.4Å; V44-M48 PolarHBondContact O-N 3.35Å
45	E	80.5	Confident	82.3	Confident	164 Å²	164	77.9 Å²	77.9	77%	0.766	41%	0.408	S	S	*	.	H	α-helix	trans	-67.1	-40.7	174.8	-64.2	-171.6	158.8	0	0	112.6	Y43 M48 S49	Y43-E45 VanDerWaalsContact C-N 3.27Å; Y43-E45 PolarHBondContact O-N 3.36Å; Y43-E45 VanDerWaalsContact O-N 3.15Å; E45-M48 HydrophobicContact CG-CE 4.49Å; E45-M48 PolarHBondContact O-N 2.94Å; E45-S49 PolarHBondContact O-N 3.38Å
46	S	84.6	Confident	81.5	Confident	60 Å²	60	79 Å²	79	42%	0.42	41%	0.414	S	S	.	.	H	α-helix	trans	-69.2	-38.5	176	-56.2	0	0	0	0	111.6	Y43 S49 L50	Y43-S46 WeakPolarHBondContact O-CA 3.48Å; Y43-S46 WeakPolarHBondContact O-CB 3.29Å; Y43-S46 PolarHBondContact O-N 3.02Å; S46-S49 PolarHBondContact O-N 3.06Å; S46-L50 WeakPolarHBondContact O-CB 3.36Å; S46-L50 PolarHBondContact O-N 3.5Å
47	A	82.8	Confident	80.6	Confident	7 Å²	7	79.1 Å²	79.1	6%	0.058	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-44.9	171	0	0	0	0	0	111	M35 L38 Y43 S49 L50 S51	M35-A47 VanDerWaalsContact CE-O 3.29Å; M35-A47 WeakPolarHBondContact CE-O 3.42Å; M35-A47 HydrophobicContact SD-CB 3.63Å; M35-A47 VanDerWaalsContact SD-O 3.34Å; L38-A47 HydrophobicContact CB-CB 4.23Å; Y43-A47 PolarHBondContact O-N 3.25Å; A47-S49 PolarHBondContact O-N 3Å; A47-L50 PolarHBondContact O-N 3.01Å; A47-S51 WeakPolarHBondContact O-CB 3.49Å; A47-S51 PolarHBondContact O-N 3.32Å
48	M	81.7	Confident	79.6	Confident	104 Å²	104	76.4 Å²	76.4	51%	0.512	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-34.5	174.2	-75.6	-169.3	-66.7	0	0	113.5	V44 E45 K52	V44-M48 HydrophobicContact CG1-CE 4.27Å; V44-M48 WeakPolarHBondContact O-CB 3.43Å; V44-M48 WeakPolarHBondContact O-CG 3.4Å; V44-M48 PolarHBondContact O-N 3.35Å; E45-M48 HydrophobicContact CG-CE 4.49Å; E45-M48 PolarHBondContact O-N 2.94Å; M48-K52 WeakPolarHBondContact O-CG 2.95Å; M48-K52 PolarHBondContact O-N 3.23Å
49	S	85.3	Confident	78.7	Confident	56 Å²	56	86.4 Å²	86.4	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-67.4	-52.8	174.2	-157.8	0	0	0	0	110.8	E45 S46 A47 S51 K52 E53	E45-S49 PolarHBondContact O-N 3.38Å; S46-S49 PolarHBondContact O-N 3.06Å; A47-S49 PolarHBondContact O-N 3Å; S49-S51 PolarHBondContact O-N 2.83Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-K52 PolarHBondContact O-N 3.15Å; S49-E53 WeakPolarHBondContact CB-OE1 3.44Å; S49-E53 WeakPolarHBondContact O-CB 3.24Å; S49-E53 WeakPolarHBondContact O-CG 3.19Å; S49-E53 PolarHBondContact O-N 3.06Å; S49-E53 PolarHBondContact OG-OE1 3.14Å
50	L	85.4	Confident	78.1	Confident	29 Å²	29	90.4 Å²	90.4	15%	0.152	45%	0.452	C	S	.	.	H	α-helix	trans	-57.2	-31.8	175.9	-178.1	66.4	0	0	0	112.2	L31 V34 M35 L38 S46 A47 E53 T54	L31-L50 HydrophobicContact CD2-CD1 4.45Å; V34-L50 HydrophobicContact CG1-CD2 3.89Å; M35-L50 HydrophobicContact CB-CD2 4.48Å; M35-L50 HydrophobicContact CE-CB 3.77Å; M35-L50 HydrophobicContact CE-CD2 3.81Å; M35-L50 HydrophobicContact CE-CG 3.66Å; M35-L50 HydrophobicContact SD-CD2 4.38Å; L38-L50 HydrophobicContact CD1-CD2 3.79Å; S46-L50 WeakPolarHBondContact O-CB 3.36Å; S46-L50 PolarHBondContact O-N 3.5Å; A47-L50 PolarHBondContact O-N 3.01Å; L50-E53 PolarHBondContact O-N 3.35Å; L50-T54 HydrophobicContact CD1-CG2 3.78Å; L50-T54 HydrophobicContact CG-CG2 4.32Å; L50-T54 WeakPolarHBondContact O-CB 3.49Å; L50-T54 VanDerWaalsContact O-CG2 3.25Å; L50-T54 WeakPolarHBondContact O-CG2 3.32Å; L50-T54 PolarHBondContact O-N 2.93Å; L50-T54 PolarHBondContact O-OG1 3.3Å
51	S	80.8	Confident	77.6	Confident	45 Å²	45	89.2 Å²	89.2	32%	0.315	44%	0.443	S	S	.	.	H	α-helix	trans	-67.1	-44.1	177.9	-175.1	0	0	0	0	111.5	A47 S49	A47-S51 WeakPolarHBondContact O-CB 3.49Å; A47-S51 PolarHBondContact O-N 3.32Å; S49-S51 PolarHBondContact O-N 2.83Å; S49-S51 VanDerWaalsContact O-N 3.15Å
52	K	81	Confident	77.4	Confident	160 Å²	160	92.8 Å²	92.8	70%	0.696	46%	0.46	S	S	*	.	H	α-helix	trans	-69.4	-38.1	172.7	-64.6	168.6	-176.2	179.7	0	112.5	M48 S49 T54 N55	M48-K52 WeakPolarHBondContact O-CG 2.95Å; M48-K52 PolarHBondContact O-N 3.23Å; S49-K52 PolarHBondContact O-N 3.15Å; K52-T54 VanDerWaalsContact C-N 3.27Å; K52-T54 PolarHBondContact O-N 2.73Å; K52-N55 PolarHBondContact O-OD1 2.78Å
53	E	82.9	Confident	77.7	Confident	108 Å²	108	91.4 Å²	91.4	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-74	-11.7	-176.8	-72.9	170.1	-120.2	0	0	114.5	S49 L50 L242	S49-E53 WeakPolarHBondContact CB-OE1 3.44Å; S49-E53 WeakPolarHBondContact O-CB 3.24Å; S49-E53 WeakPolarHBondContact O-CG 3.19Å; S49-E53 PolarHBondContact O-N 3.06Å; S49-E53 PolarHBondContact OG-OE1 3.14Å; L50-E53 PolarHBondContact O-N 3.35Å; E53-L242 VanDerWaalsContact O-CD1 3.29Å; E53-L242 WeakPolarHBondContact O-CD1 3.39Å
54	T	75.4	Confident	77.8	Confident	33 Å²	33	89.3 Å²	89.3	20%	0.202	44%	0.444	C	S	.	.	H	α-helix	trans	-113.9	-9.8	-175.1	54.8	0	0	0	0	114.7	L31 L50 K52 L56 F58	L31-T54 HydrophobicContact CD1-CG2 3.91Å; L31-T54 HydrophobicContact CD2-CG2 4Å; L31-T54 HydrophobicContact CG-CG2 4.45Å; L50-T54 HydrophobicContact CD1-CG2 3.78Å; L50-T54 HydrophobicContact CG-CG2 4.32Å; L50-T54 WeakPolarHBondContact O-CB 3.49Å; L50-T54 VanDerWaalsContact O-CG2 3.25Å; L50-T54 WeakPolarHBondContact O-CG2 3.32Å; L50-T54 PolarHBondContact O-N 2.93Å; L50-T54 PolarHBondContact O-OG1 3.3Å; K52-T54 VanDerWaalsContact C-N 3.27Å; K52-T54 PolarHBondContact O-N 2.73Å; T54-L56 PolarHBondContact O-N 2.69Å; T54-F58 VanDerWaalsContact OG1-CE2 3.29Å; T54-F58 WeakPolarHBondContact OG1-CE2 3.45Å; T54-F58 WeakPolarHBondContact OG1-CZ 3.35Å
55	N	70.1	Confident	77.9	Confident	115 Å²	115	93.9 Å²	93.9	62%	0.615	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	27.2	-174.3	-68.7	-1.4	0	0	0	114.1	K52	K52-N55 PolarHBondContact O-OD1 2.78Å
56	L	68.5	Low	78.1	Confident	39 Å²	39	92.2 Å²	92.2	20%	0.204	46%	0.461	C	S	.	.			trans	-93.9	129.3	174.2	-75	171.3	0	0	0	109.1	K28 L31 T54 F58	K28-L56 HydrophobicContact CD-CD2 4.39Å; K28-L56 HydrophobicContact CG-CD1 4.45Å; K28-L56 HydrophobicContact CG-CD2 4.21Å; L31-L56 HydrophobicContact CB-CD1 4.05Å; L31-L56 HydrophobicContact CD1-CD1 3.94Å; T54-L56 PolarHBondContact O-N 2.69Å; L56-F58 HydrophobicContact CB-CD2 4.12Å; L56-F58 HydrophobicContact CB-CE1 4.32Å; L56-F58 HydrophobicContact CB-CE2 3.51Å; L56-F58 HydrophobicContact CB-CZ 3.65Å; L56-F58 HydrophobicContact CD1-CE1 4.34Å; L56-F58 HydrophobicContact CD1-CZ 3.91Å; L56-F58 HydrophobicContact CG-CZ 4.42Å; L56-F58 WeakPolarHBondContact O-CD2 3.34Å; L56-F58 VanDerWaalsContact O-CE2 3.25Å; L56-F58 WeakPolarHBondContact O-CE2 3.37Å; L56-F58 PolarHBondContact O-N 2.84Å
57	D	66.6	Low	78.2	Confident	67 Å²	67	91.8 Å²	91.8	36%	0.358	46%	0.456	S	S	.	.			trans	-80.2	87.6	171.3	-173.6	1.5	0	0	0	110.1	R59 K60 Y61	D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact O-N 3.14Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.02Å; D57-R59 PolarHBondContact OD1-N 3.03Å; D57-K60 HydrophobicContact CB-CD 4.38Å; D57-K60 HydrophobicContact CB-CG 4.39Å; D57-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 PolarHBondContact O-N 3.32Å; D57-K60 IonicContact OD2-NZ 2.72Å; D57-K60 PolarHBondContact OD2-NZ 2.89Å; D57-Y61 WeakPolarHBondContact O-CD2 3.33Å
58	F	67	Low	78.4	Confident	35 Å²	35	94.2 Å²	94.2	15%	0.154	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-61.1	-18	179.7	-65	-87.9	0	0	0	113.2	I32 M35 T54 L56 K60 Y61	I32-F58 HydrophobicContact CG1-CD1 4.44Å; I32-F58 HydrophobicContact CG1-CE1 4.19Å; M35-F58 HydrophobicContact CB-CD1 3.89Å; M35-F58 HydrophobicContact CB-CE1 3.64Å; M35-F58 HydrophobicContact CB-CZ 4.39Å; M35-F58 HydrophobicContact CE-CD1 4.16Å; M35-F58 HydrophobicContact CE-CD2 3.87Å; M35-F58 HydrophobicContact CE-CE1 3.76Å; M35-F58 HydrophobicContact CE-CE2 3.49Å; M35-F58 VanDerWaalsContact CE-CE2 3.49Å; M35-F58 HydrophobicContact CE-CG 4.21Å; M35-F58 HydrophobicContact CE-CZ 3.41Å; M35-F58 VanDerWaalsContact CE-CZ 3.41Å; M35-F58 HydrophobicContact CG-CD1 3.61Å; M35-F58 HydrophobicContact CG-CE1 3.77Å; M35-F58 HydrophobicContact CG-CG 4.09Å; M35-F58 HydrophobicContact CG-CZ 4.4Å; T54-F58 VanDerWaalsContact OG1-CE2 3.29Å; T54-F58 WeakPolarHBondContact OG1-CE2 3.45Å; T54-F58 WeakPolarHBondContact OG1-CZ 3.35Å; L56-F58 HydrophobicContact CB-CD2 4.12Å; L56-F58 HydrophobicContact CB-CE1 4.32Å; L56-F58 HydrophobicContact CB-CE2 3.51Å; L56-F58 HydrophobicContact CB-CZ 3.65Å; L56-F58 HydrophobicContact CD1-CE1 4.34Å; L56-F58 HydrophobicContact CD1-CZ 3.91Å; L56-F58 HydrophobicContact CG-CZ 4.42Å; L56-F58 WeakPolarHBondContact O-CD2 3.34Å; L56-F58 VanDerWaalsContact O-CE2 3.25Å; L56-F58 WeakPolarHBondContact O-CE2 3.37Å; L56-F58 PolarHBondContact O-N 2.84Å; F58-K60 PolarHBondContact O-N 3.12Å; F58-K60 VanDerWaalsContact O-N 3.12Å; F58-Y61 PolarHBondContact O-N 3.39Å; F58-Y61 VanDerWaalsContact O-N 3.1Å
59	R	67.1	Low	78.7	Confident	243 Å²	243	92 Å²	92	92%	0.917	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-67.5	-9.7	172.6	-56.3	179	175.3	-178.1	-1	113.1	D57	D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact O-N 3.14Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.02Å; D57-R59 PolarHBondContact OD1-N 3.03Å
60	K	70.7	Confident	78.7	Confident	145 Å²	145	96.6 Å²	96.6	63%	0.63	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-103.3	-2.2	175	-61.5	-174.6	171.9	95.1	0	113.6	D57 F58	D57-K60 HydrophobicContact CB-CD 4.38Å; D57-K60 HydrophobicContact CB-CG 4.39Å; D57-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 PolarHBondContact O-N 3.32Å; D57-K60 IonicContact OD2-NZ 2.72Å; D57-K60 PolarHBondContact OD2-NZ 2.89Å; F58-K60 PolarHBondContact O-N 3.12Å; F58-K60 VanDerWaalsContact O-N 3.12Å
61	Y	74.5	Confident	78.9	Confident	101 Å²	101	98 Å²	98	40%	0.396	48%	0.484	S	S	.	.			trans	-141.6	105.4	-171.8	-59.6	-62.3	0	0	0	112.7	K28 I32 D57 F58	K28-Y61 VanDerWaalsContact NZ-CE1 3.32Å; K28-Y61 PolarHBondContact NZ-OH 3.29Å; K28-Y61 VanDerWaalsContact NZ-OH 3.08Å; I32-Y61 HydrophobicContact CD1-CG 4.1Å; D57-Y61 WeakPolarHBondContact O-CD2 3.33Å; F58-Y61 PolarHBondContact O-N 3.39Å; F58-Y61 VanDerWaalsContact O-N 3.1Å
62	E	79.4	Confident	79.4	Confident	175 Å²	175	99 Å²	99	82%	0.818	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-94	158.5	170.7	-163.2	160.4	-149.1	0	0	110.1
63	V	84	Confident	79.8	Confident	22 Å²	22	95 Å²	95	13%	0.133	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-84	139.4	169.9	174.6	0	0	0	0	108.3	I32 L33 H36 V67	I32-V63 HydrophobicContact CG2-CG2 3.78Å; L33-V63 HydrophobicContact CD2-CG1 3.95Å; L33-V63 HydrophobicContact CD2-CG2 4.24Å; H36-V63 HydrophobicContact CB-CB 4.46Å; H36-V63 HydrophobicContact CB-CG2 3.56Å; V63-V67 WeakPolarHBondContact CG1-O 3.31Å
64	C	84.7	Confident	80.1	Confident	82 Å²	82	94.9 Å²	94.9	55%	0.554	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-77.2	139.7	178.3	-54.4	0	0	0	0	110.9	N66 V67	C64-N66 WeakPolarHBondContact CB-OD1 3.45Å; C64-N66 PolarHBondContact O-N 3.22Å; C64-V67 PolarHBondContact O-N 2.76Å
65	D	83.8	Confident	80.8	Confident	181 Å²	181	99.8 Å²	99.8	97%	0.968	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-14.2	-176.3	-42	-0.1	0	0	0	115.9
66	N	84.7	Confident	81.9	Confident	129 Å²	129	99.9 Å²	99.9	69%	0.69	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	6.7	-176.2	77.2	-74.6	0	0	0	114.4	C64	C64-N66 WeakPolarHBondContact CB-OD1 3.45Å; C64-N66 PolarHBondContact O-N 3.22Å
67	V	85.6	Confident	82.9	Confident	52 Å²	52	100.3 Å²	100.3	32%	0.315	49%	0.49	S	S	.	.			trans	-144.1	121.7	177.5	-173	0	0	0	0	111	L33 V63 C64 V72	L33-V67 HydrophobicContact CD2-CG1 4Å; V63-V67 WeakPolarHBondContact CG1-O 3.31Å; C64-V67 PolarHBondContact O-N 2.76Å; V67-V72 HydrophobicContact CG1-CG2 3.98Å
68	D	86.7	Confident	84	Confident	58 Å²	58	99.7 Å²	99.7	31%	0.31	49%	0.491	S	S	.	.			trans	-126.7	170.6	166.7	71.4	77.9	0	0	0	110.8	E70 T71 V72	D68-E70 WeakPolarHBondContact OD1-CA 3.48Å; D68-E70 WeakPolarHBondContact OD1-CB 3.29Å; D68-E70 PolarHBondContact OD1-N 2.74Å; D68-T71 PolarHBondContact OD1-N 3.08Å; D68-T71 PolarHBondContact OD1-OG1 2.94Å; D68-T71 WeakPolarHBondContact OD2-CB 3.46Å; D68-T71 PolarHBondContact OD2-OG1 3.06Å; D68-V72 VanDerWaalsContact O-CG2 3.31Å; D68-V72 WeakPolarHBondContact O-CG2 3.31Å; D68-V72 PolarHBondContact O-N 3.35Å
69	L	89.2	Confident	85.2	Confident	58 Å²	58	104 Å²	104	30%	0.304	51%	0.507	S	S	.	.	H	α-helix	trans	-77.3	-24.7	-175.2	-170.2	60.3	0	0	0	113.6	Y37 L73	Y37-L69 HydrophobicContact CD1-CD2 3.83Å; Y37-L69 HydrophobicContact CD2-CB 4.48Å; Y37-L69 HydrophobicContact CD2-CD2 4.42Å; Y37-L69 HydrophobicContact CG-CB 4.45Å; Y37-L69 HydrophobicContact CG-CD2 3.74Å; L69-L73 PolarHBondContact O-N 3.48Å
70	E	85.5	Confident	86.4	Confident	152 Å²	152	95 Å²	95	71%	0.71	47%	0.473	S	S	*	.	H	α-helix	trans	-76.5	-45.4	177.8	-175.5	174.1	-166.6	0	0	110.7	D68 V72 L73 L74	D68-E70 WeakPolarHBondContact OD1-CA 3.48Å; D68-E70 WeakPolarHBondContact OD1-CB 3.29Å; D68-E70 PolarHBondContact OD1-N 2.74Å; E70-V72 VanDerWaalsContact C-N 3.35Å; E70-V72 PolarHBondContact O-N 2.85Å; E70-L73 WeakPolarHBondContact O-CA 3.36Å; E70-L73 WeakPolarHBondContact O-CB 3.43Å; E70-L73 PolarHBondContact O-N 3.48Å; E70-L74 WeakPolarHBondContact O-CB 3.35Å; E70-L74 PolarHBondContact O-N 2.9Å
71	T	88.5	Confident	87.2	Confident	59 Å²	59	93.4 Å²	93.4	36%	0.362	46%	0.464	S	S	.	.	H	α-helix	trans	-57.5	-44.8	172.7	-68.3	0	0	0	0	111.5	D68 L73 L74 E75	D68-T71 PolarHBondContact OD1-N 3.08Å; D68-T71 PolarHBondContact OD1-OG1 2.94Å; D68-T71 WeakPolarHBondContact OD2-CB 3.46Å; D68-T71 PolarHBondContact OD2-OG1 3.06Å; T71-L73 VanDerWaalsContact C-N 3.25Å; T71-L73 PolarHBondContact O-N 3.42Å; T71-L74 PolarHBondContact O-N 3.29Å; T71-E75 HydrophobicContact CG2-CG 4.49Å; T71-E75 WeakPolarHBondContact O-CG 3.48Å; T71-E75 PolarHBondContact O-N 2.99Å
72	V	91.2	Very high	88	Confident	65 Å²	65	95.2 Å²	95.2	39%	0.394	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-34.6	175.8	168.2	0	0	0	0	111.9	V67 D68 E70 Y76	V67-V72 HydrophobicContact CG1-CG2 3.98Å; D68-V72 VanDerWaalsContact O-CG2 3.31Å; D68-V72 WeakPolarHBondContact O-CG2 3.31Å; D68-V72 PolarHBondContact O-N 3.35Å; E70-V72 VanDerWaalsContact C-N 3.35Å; E70-V72 PolarHBondContact O-N 2.85Å; V72-Y76 PolarHBondContact O-N 2.66Å
73	L	89.4	Confident	88.6	Confident	77 Å²	77	92.4 Å²	92.4	40%	0.403	46%	0.464	S	S	.	.	H	α-helix	trans	-71.3	-45.2	174.7	-170.1	63.1	0	0	0	111.2	L69 E70 T71 Y76 E77 I90	L69-L73 PolarHBondContact O-N 3.48Å; E70-L73 WeakPolarHBondContact O-CA 3.36Å; E70-L73 WeakPolarHBondContact O-CB 3.43Å; E70-L73 PolarHBondContact O-N 3.48Å; T71-L73 VanDerWaalsContact C-N 3.25Å; T71-L73 PolarHBondContact O-N 3.42Å; L73-Y76 WeakPolarHBondContact O-CB 3.29Å; L73-Y76 PolarHBondContact O-N 3.14Å; L73-E77 WeakPolarHBondContact O-CG 3.33Å; L73-E77 PolarHBondContact O-N 2.99Å; L73-I90 HydrophobicContact CD1-CD1 3.75Å; L73-I90 HydrophobicContact CD1-CG1 4.21Å; L73-I90 HydrophobicContact CD2-CD1 4.13Å; L73-I90 HydrophobicContact CG-CD1 4.12Å
74	L	89.2	Confident	88.9	Confident	105 Å²	105	95.8 Å²	95.8	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-40.8	179.8	-174.9	68.2	0	0	0	112.8	E70 T71 E77 S78	E70-L74 WeakPolarHBondContact O-CB 3.35Å; E70-L74 PolarHBondContact O-N 2.9Å; T71-L74 PolarHBondContact O-N 3.29Å; L74-E77 PolarHBondContact O-N 3.49Å; L74-S78 VanDerWaalsContact O-CB 3.3Å; L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 2.93Å; L74-S78 PolarHBondContact O-OG 3.38Å
75	E	91.3	Very high	88.9	Confident	136 Å²	136	100.3 Å²	100.3	64%	0.636	49%	0.49	S	S	*	.	H	α-helix	trans	-61.2	-44.4	171.7	-76.7	-164.1	155	0	0	111.2	T71 S78 Y79	T71-E75 HydrophobicContact CG2-CG 4.49Å; T71-E75 WeakPolarHBondContact O-CG 3.48Å; T71-E75 PolarHBondContact O-N 2.99Å; E75-S78 PolarHBondContact O-N 3.15Å; E75-Y79 WeakPolarHBondContact O-CB 3.44Å; E75-Y79 PolarHBondContact O-N 3.49Å
76	Y	92.5	Very high	89.1	Confident	117 Å²	117	96.8 Å²	96.8	46%	0.459	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-42.3	178.1	179.5	-100.4	0	0	0	112.2	V72 L73 Y80 P88	V72-Y76 PolarHBondContact O-N 2.66Å; L73-Y76 WeakPolarHBondContact O-CB 3.29Å; L73-Y76 PolarHBondContact O-N 3.14Å; Y76-Y80 WeakPolarHBondContact O-CB 3.25Å; Y76-Y80 PolarHBondContact O-N 3.43Å; Y76-P88 HydrophobicContact CD1-CB 4.47Å; Y76-P88 HydrophobicContact CD1-CG 4.11Å; Y76-P88 HydrophobicContact CE1-CB 3.83Å; Y76-P88 HydrophobicContact CE1-CG 3.96Å
77	E	89.2	Confident	89.1	Confident	48 Å²	48	97.1 Å²	97.1	22%	0.224	46%	0.459	C	S	.	.	H	α-helix	trans	-60.1	-45.9	173.5	-68.3	-145.3	129.3	0	0	111.6	L73 L74 Y80 Y81 Y87 P88 I90	L73-E77 WeakPolarHBondContact O-CG 3.33Å; L73-E77 PolarHBondContact O-N 2.99Å; L74-E77 PolarHBondContact O-N 3.49Å; E77-Y80 PolarHBondContact O-N 2.86Å; E77-Y81 VanDerWaalsContact O-CB 3.32Å; E77-Y81 WeakPolarHBondContact O-CB 3.45Å; E77-Y81 PolarHBondContact O-N 2.84Å; E77-Y87 HydrophobicContact CB-CD1 4.11Å; E77-Y87 HydrophobicContact CB-CE1 4.36Å; E77-P88 HydrophobicContact CB-CG 4.35Å; E77-P88 HydrophobicContact CG-CG 3.81Å; E77-I90 HydrophobicContact CG-CD1 4.32Å; E77-I90 VanDerWaalsContact OE1-CD1 3.27Å; E77-I90 WeakPolarHBondContact OE1-CD1 3.04Å
78	S	90.3	Very high	89.2	Confident	54 Å²	54	95.4 Å²	95.4	38%	0.378	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-46.6	179.2	-60.2	0	0	0	0	112.1	L74 E75 Y80 Y81 I82	L74-S78 VanDerWaalsContact O-CB 3.3Å; L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 2.93Å; L74-S78 PolarHBondContact O-OG 3.38Å; E75-S78 PolarHBondContact O-N 3.15Å; S78-Y80 PolarHBondContact O-N 3.42Å; S78-Y81 PolarHBondContact O-N 2.85Å; S78-I82 VanDerWaalsContact O-CG1 3.3Å; S78-I82 WeakPolarHBondContact O-CG1 3.31Å; S78-I82 PolarHBondContact O-N 3.41Å
79	Y	92.5	Very high	89.2	Confident	126 Å²	126	104.3 Å²	104.3	49%	0.494	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-46.7	173.6	170.8	-97	0	0	0	111.9	E75 Y81 I82 K83	E75-Y79 WeakPolarHBondContact O-CB 3.44Å; E75-Y79 PolarHBondContact O-N 3.49Å; Y79-Y81 VanDerWaalsContact C-N 3.34Å; Y79-I82 PolarHBondContact O-N 3.14Å; Y79-K83 HydrophobicContact CE1-CD 3.79Å; Y79-K83 HydrophobicContact CE2-CD 4.35Å; Y79-K83 VanDerWaalsContact O-CB 3.23Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 3.04Å; Y79-K83 WeakPolarHBondContact OH-CD 3.4Å; Y79-K83 PolarHBondContact OH-NZ 3.44Å
80	Y	91.2	Very high	88.9	Confident	53 Å²	53	106.2 Å²	106.2	21%	0.208	49%	0.488	C	S	.	.	H	α-helix	trans	-67.8	-36.4	-178.4	-165.2	-89.3	0	0	0	111.3	Y76 E77 S78 F84 K86 P88	Y76-Y80 WeakPolarHBondContact O-CB 3.25Å; Y76-Y80 PolarHBondContact O-N 3.43Å; E77-Y80 PolarHBondContact O-N 2.86Å; S78-Y80 PolarHBondContact O-N 3.42Å; Y80-F84 HydrophobicContact CD1-CD2 4.04Å; Y80-F84 AromaticContact CD2-CD2 3.51Å; Y80-F84 HydrophobicContact CD2-CD2 3.51Å; Y80-F84 AromaticContact CD2-CE2 3.58Å; Y80-F84 HydrophobicContact CD2-CE2 3.58Å; Y80-F84 HydrophobicContact CE1-CB 4.45Å; Y80-F84 HydrophobicContact CE1-CD2 4.04Å; Y80-F84 AromaticContact CE2-CD2 3.5Å; Y80-F84 HydrophobicContact CE2-CD2 3.5Å; Y80-F84 AromaticContact CE2-CE2 3.5Å; Y80-F84 HydrophobicContact CE2-CE2 3.5Å; Y80-F84 AromaticContact CG-CD2 3.77Å; Y80-F84 HydrophobicContact CG-CD2 3.77Å; Y80-F84 HydrophobicContact CG-CE2 4.28Å; Y80-F84 AromaticContact CZ-CD2 3.76Å; Y80-F84 WeakPolarHBondContact O-CB 3.37Å; Y80-F84 WeakPolarHBondContact O-CD2 3.48Å; Y80-F84 PolarHBondContact O-N 3.05Å; Y80-K86 HydrophobicContact CD1-CG 4.37Å; Y80-K86 VanDerWaalsContact CD1-O 3.27Å; Y80-K86 WeakPolarHBondContact CD1-O 3.24Å; Y80-K86 HydrophobicContact CE1-CD 4.36Å; Y80-K86 HydrophobicContact CE1-CG 3.83Å; Y80-K86 WeakPolarHBondContact OH-CE 3.48Å; Y80-P88 HydrophobicContact CD1-CB 3.77Å; Y80-P88 HydrophobicContact CD1-CG 4.29Å; Y80-P88 HydrophobicContact CD2-CB 4.43Å; Y80-P88 HydrophobicContact CE1-CB 4.07Å; Y80-P88 HydrophobicContact CG-CB 3.98Å; Y80-P88 HydrophobicContact CG-CG 4.4Å
81	Y	88.5	Confident	88.7	Confident	111 Å²	111	104.9 Å²	104.9	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-49.3	172.5	-176.9	-98.2	0	0	0	112.3	E77 S78 Y79 K83 Q85 K86 Y87	E77-Y81 VanDerWaalsContact O-CB 3.32Å; E77-Y81 WeakPolarHBondContact O-CB 3.45Å; E77-Y81 PolarHBondContact O-N 2.84Å; S78-Y81 PolarHBondContact O-N 2.85Å; Y79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-K83 VanDerWaalsContact C-N 3.3Å; Y81-K83 PolarHBondContact O-N 3.48Å; Y81-Q85 WeakPolarHBondContact O-CA 3.41Å; Y81-Q85 PolarHBondContact O-N 3.19Å; Y81-K86 WeakPolarHBondContact CA-O 3.44Å; Y81-Y87 AromaticContact CD2-CD2 3.78Å; Y81-Y87 HydrophobicContact CD2-CD2 3.78Å; Y81-Y87 AromaticContact CD2-CE2 3.49Å; Y81-Y87 HydrophobicContact CD2-CE2 3.49Å; Y81-Y87 VanDerWaalsContact CD2-CE2 3.49Å; Y81-Y87 HydrophobicContact CD2-CG 4.48Å; Y81-Y87 AromaticContact CD2-CZ 4Å; Y81-Y87 HydrophobicContact CE2-CD2 4.26Å; Y81-Y87 AromaticContact CE2-CE2 3.78Å; Y81-Y87 HydrophobicContact CE2-CE2 3.78Å; Y81-Y87 HydrophobicContact CG-CE2 4.23Å
82	I	90.5	Very high	88.6	Confident	140 Å²	140	110.9 Å²	110.9	72%	0.718	51%	0.511	S	S	*	.	H	α-helix	trans	-59.2	-42.9	176.9	-68.9	164.5	0	0	0	110.9	S78 Y79	S78-I82 VanDerWaalsContact O-CG1 3.3Å; S78-I82 WeakPolarHBondContact O-CG1 3.31Å; S78-I82 PolarHBondContact O-N 3.41Å; Y79-I82 PolarHBondContact O-N 3.14Å
83	K	91.7	Very high	87.5	Confident	116 Å²	116	116.8 Å²	116.8	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-78.8	-28.1	-174.5	-171.7	172.8	-178.6	-178.2	0	114.5	Y79 Y81	Y79-K83 HydrophobicContact CE1-CD 3.79Å; Y79-K83 HydrophobicContact CE2-CD 4.35Å; Y79-K83 VanDerWaalsContact O-CB 3.23Å; Y79-K83 WeakPolarHBondContact O-CB 3.44Å; Y79-K83 PolarHBondContact O-N 3.04Å; Y79-K83 WeakPolarHBondContact OH-CD 3.4Å; Y79-K83 PolarHBondContact OH-NZ 3.44Å; Y81-K83 VanDerWaalsContact C-N 3.3Å; Y81-K83 PolarHBondContact O-N 3.48Å
84	F	91.1	Very high	86.8	Confident	93 Å²	93	117.8 Å²	117.8	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-132.7	5.2	-171	-55.5	-69.6	0	0	0	115.2	Y80 K86	Y80-F84 HydrophobicContact CD1-CD2 4.04Å; Y80-F84 AromaticContact CD2-CD2 3.51Å; Y80-F84 HydrophobicContact CD2-CD2 3.51Å; Y80-F84 AromaticContact CD2-CE2 3.58Å; Y80-F84 HydrophobicContact CD2-CE2 3.58Å; Y80-F84 HydrophobicContact CE1-CB 4.45Å; Y80-F84 HydrophobicContact CE1-CD2 4.04Å; Y80-F84 AromaticContact CE2-CD2 3.5Å; Y80-F84 HydrophobicContact CE2-CD2 3.5Å; Y80-F84 AromaticContact CE2-CE2 3.5Å; Y80-F84 HydrophobicContact CE2-CE2 3.5Å; Y80-F84 AromaticContact CG-CD2 3.77Å; Y80-F84 HydrophobicContact CG-CD2 3.77Å; Y80-F84 HydrophobicContact CG-CE2 4.28Å; Y80-F84 AromaticContact CZ-CD2 3.76Å; Y80-F84 WeakPolarHBondContact O-CB 3.37Å; Y80-F84 WeakPolarHBondContact O-CD2 3.48Å; Y80-F84 PolarHBondContact O-N 3.05Å; F84-K86 HydrophobicContact CB-CD 4.24Å; F84-K86 HydrophobicContact CB-CG 4.08Å; F84-K86 PolarHBondContact O-N 3.01Å
85	Q	85.2	Confident	85.1	Confident	177 Å²	177	116.4 Å²	116.4	83%	0.827	54%	0.536	S	S	*	.	S	Bend	trans	50.8	35.1	-178.7	-62.1	-173.3	-3.2	0	0	114.3	Y81	Y81-Q85 WeakPolarHBondContact O-CA 3.41Å; Y81-Q85 PolarHBondContact O-N 3.19Å
86	K	86.6	Confident	83.3	Confident	106 Å²	106	114 Å²	114	46%	0.461	53%	0.528	S	S	.	.	S	Bend	trans	-158.1	150.9	179.5	72	-161.5	-177.9	-164.6	0	109.5	Y80 Y81 F84	Y80-K86 HydrophobicContact CD1-CG 4.37Å; Y80-K86 VanDerWaalsContact CD1-O 3.27Å; Y80-K86 WeakPolarHBondContact CD1-O 3.24Å; Y80-K86 HydrophobicContact CE1-CD 4.36Å; Y80-K86 HydrophobicContact CE1-CG 3.83Å; Y80-K86 WeakPolarHBondContact OH-CE 3.48Å; Y81-K86 WeakPolarHBondContact CA-O 3.44Å; F84-K86 HydrophobicContact CB-CD 4.24Å; F84-K86 HydrophobicContact CB-CG 4.08Å; F84-K86 PolarHBondContact O-N 3.01Å
87	Y	84.9	Confident	81.2	Confident	136 Å²	136	117.5 Å²	117.5	53%	0.533	55%	0.545	S	S	.	.			trans	-75.2	151.6	171.4	-73.8	-91.6	0	0	0	111.5	E77 Y81	E77-Y87 HydrophobicContact CB-CD1 4.11Å; E77-Y87 HydrophobicContact CB-CE1 4.36Å; Y81-Y87 AromaticContact CD2-CD2 3.78Å; Y81-Y87 HydrophobicContact CD2-CD2 3.78Å; Y81-Y87 AromaticContact CD2-CE2 3.49Å; Y81-Y87 HydrophobicContact CD2-CE2 3.49Å; Y81-Y87 VanDerWaalsContact CD2-CE2 3.49Å; Y81-Y87 HydrophobicContact CD2-CG 4.48Å; Y81-Y87 AromaticContact CD2-CZ 4Å; Y81-Y87 HydrophobicContact CE2-CD2 4.26Å; Y81-Y87 AromaticContact CE2-CE2 3.78Å; Y81-Y87 HydrophobicContact CE2-CE2 3.78Å; Y81-Y87 HydrophobicContact CG-CE2 4.23Å
88	P	88.2	Confident	79.2	Confident	17 Å²	17	121.1 Å²	121.1	11%	0.11	57%	0.565	C	S	.	*			trans	-70.3	155.1	175.7	30.5	-33.1	0	0	0	110.9	Y76 E77 Y80 I90	Y76-P88 HydrophobicContact CD1-CB 4.47Å; Y76-P88 HydrophobicContact CD1-CG 4.11Å; Y76-P88 HydrophobicContact CE1-CB 3.83Å; Y76-P88 HydrophobicContact CE1-CG 3.96Å; E77-P88 HydrophobicContact CB-CG 4.35Å; E77-P88 HydrophobicContact CG-CG 3.81Å; Y80-P88 HydrophobicContact CD1-CB 3.77Å; Y80-P88 HydrophobicContact CD1-CG 4.29Å; Y80-P88 HydrophobicContact CD2-CB 4.43Å; Y80-P88 HydrophobicContact CE1-CB 4.07Å; Y80-P88 HydrophobicContact CG-CB 3.98Å; Y80-P88 HydrophobicContact CG-CG 4.4Å; P88-I90 HydrophobicContact CG-CG1 4.44Å; P88-I90 PolarHBondContact O-N 2.88Å
89	R	86.2	Confident	77.2	Confident	245 Å²	245	123 Å²	123	93%	0.925	57%	0.571	S	S	*	*			trans	-98.1	85.9	174	-71.7	-172.6	176.8	-174.6	-0.6	109.9
90	I	83.3	Confident	74.7	Confident	98 Å²	98	123.5 Å²	123.5	50%	0.503	58%	0.577	S	S	.	*			trans	-65	-46.9	-179.4	-59.3	155.4	0	0	0	110.8	L73 E77 P88	L73-I90 HydrophobicContact CD1-CD1 3.75Å; L73-I90 HydrophobicContact CD1-CG1 4.21Å; L73-I90 HydrophobicContact CD2-CD1 4.13Å; L73-I90 HydrophobicContact CG-CD1 4.12Å; E77-I90 HydrophobicContact CG-CD1 4.32Å; E77-I90 VanDerWaalsContact OE1-CD1 3.27Å; E77-I90 WeakPolarHBondContact OE1-CD1 3.04Å; P88-I90 HydrophobicContact CG-CG1 4.44Å; P88-I90 PolarHBondContact O-N 2.88Å
91	T	80.5	Confident	72.2	Confident	124 Å²	124	126.4 Å²	126.4	76%	0.761	60%	0.604	S	S	*	*			trans	-114.4	152.6	-178.4	63.5	0	0	0	0	112.6
92	K	86.5	Confident	70	Confident	185 Å²	185	128.1 Å²	128.1	80%	0.804	62%	0.621	S	S	*	*			trans	-127.9	108.2	172.3	-179	-174.3	177.2	-174.3	0	108.8	L94	K92-L94 PolarHBondContact O-N 2.89Å
93	K	68.7	Low	67.4	Low	188 Å²	188	129.6 Å²	129.6	82%	0.817	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-60	119.9	176	-173	167.1	-176.6	171.7	0	110.1
94	L	74	Confident	64.7	Low	98 Å²	98	134 Å²	134	51%	0.513	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-71	137.5	170.7	-66.2	172	0	0	0	109	K92	K92-L94 PolarHBondContact O-N 2.89Å
95	S	54.6	Low	61.9	Low	77 Å²	77	140 Å²	140	54%	0.538	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-75.3	138.4	174.6	55.2	0	0	0	0	110.5	K97 L98	S95-K97 PolarHBondContact O-N 2.88Å; S95-L98 PolarHBondContact O-N 2.92Å
96	D	52.9	Low	59.5	Low	86 Å²	86	139.7 Å²	139.7	46%	0.46	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-58.6	-17.6	-166.8	-52.5	-75.9	0	0	0	115.4	L98 L99 Q100	D96-L98 PolarHBondContact O-N 3.47Å; D96-L99 PolarHBondContact O-N 2.93Å; D96-Q100 HydrophobicContact CB-CG 4.41Å; D96-Q100 WeakPolarHBondContact O-CB 3.4Å; D96-Q100 WeakPolarHBondContact O-CG 3.23Å; D96-Q100 PolarHBondContact O-N 2.57Å
97	K	48.5	Very low	57	Low	190 Å²	190	140.7 Å²	140.7	83%	0.826	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-56.4	-17.7	169.7	-67.8	-167.1	174.9	-170.4	0	114.5	S95	S95-K97 PolarHBondContact O-N 2.88Å
98	L	47.6	Very low	54.5	Low	124 Å²	124	139.7 Å²	139.7	65%	0.649	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-99.7	-11	172.4	-82.6	163.9	0	0	0	114.2	S95 D96	S95-L98 PolarHBondContact O-N 2.92Å; D96-L98 PolarHBondContact O-N 3.47Å
99	L	47.2	Very low	51.9	Low	94 Å²	94	143.4 Å²	143.4	49%	0.492	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.6	-15.9	180	-73.2	162.6	0	0	0	112.8	D96	D96-L99 PolarHBondContact O-N 2.93Å
100	Q	40.4	Very low	49.3	Very low	135 Å²	135	136.3 Å²	136.3	63%	0.631	70%	0.701	S	S	*	*	S	Bend	trans	-91.6	2.2	-175.2	-70.7	178.6	1.5	0	0	115	D96	D96-Q100 HydrophobicContact CB-CG 4.41Å; D96-Q100 WeakPolarHBondContact O-CB 3.4Å; D96-Q100 WeakPolarHBondContact O-CG 3.23Å; D96-Q100 PolarHBondContact O-N 2.57Å
101	C	38.8	Very low	47.1	Very low	114 Å²	114	138 Å²	138	77%	0.77	71%	0.71	S	S	*	*	S	Bend	trans	-79.3	-31.9	169.6	-75.9	0	0	0	0	113
102	D	43.1	Very low	44.8	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	71%	0.711	S	S	*	*	S	Bend	trans	-91.8	-8.7	-177.8	-65.9	-56.5	0	0	0	114.5
103	K	34.9	Very low	42.2	Very low	171 Å²	171	136.6 Å²	136.6	74%	0.743	70%	0.702	S	S	*	*			trans	-129.9	60.8	-172.7	-66.9	-166.7	177.7	-175.7	0	114.7	R105	K103-R105 VanDerWaalsContact C-N 3.29Å
104	K	35.6	Very low	40.5	Very low	208 Å²	208	136.4 Å²	136.4	90%	0.904	70%	0.701	S	S	*	*			trans	-92.5	49.9	154.4	-109	-170.1	179.3	-175.1	0	112.3
105	R	31.5	Very low	38.6	Very low	219 Å²	219	142.6 Å²	142.6	83%	0.826	72%	0.718	S	S	*	*	S	Bend	trans	-137	122.4	161	-74.4	-168.9	174	179.1	-1.7	109.2	K103	K103-R105 VanDerWaalsContact C-N 3.29Å
106	H	34.8	Very low	37.9	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.796	72%	0.723	S	S	*	*	S	Bend	trans	71.2	87.5	172	-57.9	-75.3	0	0	0	121.2
107	V	34.6	Very low	37.4	Very low	126 Å²	126	143.7 Å²	143.7	76%	0.764	73%	0.732	S	S	*	*				56.7	108.8	118	179.9	0	0	0	0	121.6
108	S	32	Very low	36.9	Very low	115 Å²	115	141.6 Å²	141.6	80%	0.804	73%	0.729	S	S	*	*			trans	55.8	159.1	145.6	87.8	0	0	0	0	120.3
109	S	33.9	Very low	36.5	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	73%	0.732	S	S	*	*			cis	-148.7	136.1	-0	81.6	0	0	0	0	109
110	S	32.5	Very low	35.9	Very low	95 Å²	95	145.9 Å²	145.9	66%	0.664	74%	0.744	S	S	*	*				92.5	144	97.2	83.5	0	0	0	0	117.9
111	I	36.3	Very low	35.9	Very low	133 Å²	133	147.7 Å²	147.7	68%	0.682	76%	0.757	S	S	*	*			trans	81.4	100.1	155.6	-66.8	167.4	0	0	0	119.3
112	K	33.6	Very low	35.7	Very low	180 Å²	180	149.8 Å²	149.8	78%	0.783	75%	0.754	S	S	*	*				74.9	148.8	100	-64.9	178.4	-167.9	169.1	0	116.5
113	T	31.3	Very low	35.4	Very low	101 Å²	101	148.3 Å²	148.3	62%	0.62	75%	0.746	S	S	*	*			cis	-173.7	170.6	-20	40.7	0	0	0	0	110.4
114	K	33.1	Very low	35.4	Very low	183 Å²	183	151.3 Å²	151.3	80%	0.796	75%	0.753	S	S	*	*			trans	77.4	148.1	164.3	-62.2	154.9	-174.3	172.1	0	114.5
115	R	33.2	Very low	35.5	Very low	229 Å²	229	144.6 Å²	144.6	86%	0.864	74%	0.742	S	S	*	*			cis	-151.6	-175.4	3.9	-124.5	169.6	-177.1	164.7	-1.4	107.5
116	S	41	Very low	35.7	Very low	92 Å²	92	141.4 Å²	141.4	64%	0.643	74%	0.741	S	S	*	*			cis	-163	173.1	1.3	35.7	0	0	0	0	110.8
117	S	40.9	Very low	35.7	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	74%	0.736	S	S	*	*			trans	48.5	106.8	151.1	54.1	0	0	0	0	120.9
118	L	39.7	Very low	35.8	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	74%	0.735	S	S	*	*				88.1	152.3	60.5	-77.1	167.4	0	0	0	114	R120	L118-R120 HydrophobicContact CD2-CG 4.45Å
119	P	38.7	Very low	35.9	Very low	110 Å²	110	141 Å²	141	71%	0.714	73%	0.732	S	S	*	*			cis	-132.8	141.9	-1.6	36.2	-17.4	0	0	0	118.2
120	R	33.7	Very low	35.8	Very low	198 Å²	198	142 Å²	142	75%	0.747	73%	0.73	S	S	*	*			trans	38.3	133.8	131.3	-59.1	178.2	175.2	167	-3.3	123.3	L118	L118-R120 HydrophobicContact CD2-CG 4.45Å
121	L	40.6	Very low	35.8	Very low	174 Å²	174	145.4 Å²	145.4	91%	0.911	73%	0.733	S	S	*	*				-134.6	161	127.9	-106.7	166.6	0	0	0	109.8
122	F	34.7	Very low	35.4	Very low	157 Å²	157	145.1 Å²	145.1	69%	0.689	73%	0.729	S	S	*	*			trans	-90.9	175.3	-172.8	-76.4	-105.1	0	0	0	111.5
123	N	36.3	Very low	35.3	Very low	116 Å²	116	142.8 Å²	142.8	62%	0.62	72%	0.721	S	S	*	*			cis	-168.3	146.7	30.3	-161.5	11.1	0	0	0	113.4
124	R	36.5	Very low	35.2	Very low	235 Å²	235	143.4 Å²	143.4	89%	0.887	72%	0.721	S	S	*	*			trans	51	149.6	164.6	-70.1	162.7	179.4	-174.1	-3.2	117.8
125	G	36.5	Very low	35.1	Very low	66 Å²	66	144.1 Å²	144.1	68%	0.68	72%	0.719	S	S	*	*			cis	146.6	142.1	4.3	0	0	0	0	0	108.7
126	N	36.3	Very low	35	Very low	153 Å²	153	137.8 Å²	137.8	82%	0.818	71%	0.711	S	S	*	*			cis	-150.1	165.3	8.7	-88.7	3.4	0	0	0	113.1
127	S	33.7	Very low	34.4	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	71%	0.711	S	S	*	*			trans	-22.9	155.4	152	56.9	0	0	0	0	119.5
128	I	37.9	Very low	34	Very low	145 Å²	145	139.7 Å²	139.7	74%	0.744	71%	0.713	S	S	*	*				-162.1	151.7	64.6	-88.7	-179.8	0	0	0	112.1
129	H	33.4	Very low	33.7	Very low	162 Å²	162	139.2 Å²	139.2	75%	0.75	71%	0.71	S	S	*	*			trans	15.8	159	156.2	-76.1	-88.4	0	0	0	122.7
130	D	32.7	Very low	33.5	Very low	117 Å²	117	140.8 Å²	140.8	63%	0.626	71%	0.712	S	S	*	*			cis	180	178.8	-31.6	-114.9	-28.4	0	0	0	109.2
131	F	31.2	Very low	33.3	Very low	167 Å²	167	137.8 Å²	137.8	73%	0.732	71%	0.71	S	S	*	*			trans	12.5	145	148.8	-79.1	-108.7	0	0	0	120.6
132	E	28.7	Very low	33	Very low	127 Å²	127	134.7 Å²	134.7	59%	0.593	70%	0.703	S	S	*	*			cis	-179.3	174	-18.2	-129.5	-160.1	132.9	0	0	106.4
133	Q	30.9	Very low	32.8	Very low	131 Å²	131	136.2 Å²	136.2	61%	0.612	71%	0.713	S	S	*	*			trans	42.1	118.7	148.2	-69.3	-178.2	40.2	0	0	119.1
134	N	30.4	Very low	32.6	Very low	114 Å²	114	139.6 Å²	139.6	61%	0.61	73%	0.725	S	S	*	*				-178.9	159.7	57.2	-106.9	-28.9	0	0	0	114.9
135	Y	29.8	Very low	32.4	Very low	197 Å²	197	132.9 Å²	132.9	77%	0.773	71%	0.714	S	S	*	*			trans	41.3	120.1	148.2	-70.3	-65.5	0	0	0	124.3
136	S	31.2	Very low	32.2	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	72%	0.723	S	S	*	*				87.5	122.8	124.2	-62.6	0	0	0	0	122.5
137	S	28.9	Very low	31.9	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	72%	0.717	S	S	*	*			trans	50.7	117.8	136.3	67.6	0	0	0	0	119
138	N	33.2	Very low	31.9	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	72%	0.724	S	S	*	*				-174.3	149.9	70.9	-90.9	-49.9	0	0	0	114
139	I	31.8	Very low	31.5	Very low	135 Å²	135	132.1 Å²	132.1	69%	0.692	72%	0.723	S	S	*	*			trans	34.2	121.7	133	-39	163.6	0	0	0	119.2
140	L	34.8	Very low	31.6	Very low	144 Å²	144	134.4 Å²	134.4	75%	0.754	73%	0.731	S	S	*	*				165.3	112.1	120.3	-88	172.5	0	0	0	114.7
141	N	29.9	Very low	31.5	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	74%	0.741	S	S	*	*			trans	54.1	164.7	130.5	-61	9.9	0	0	0	124.4
142	S	34.3	Very low	31.6	Very low	109 Å²	109	140 Å²	140	76%	0.762	75%	0.75	S	S	*	*			trans	62.5	115.1	179.4	43.5	0	0	0	0	115.5
143	E	30	Very low	31.8	Very low	189 Å²	189	138.7 Å²	138.7	88%	0.883	76%	0.76	S	S	*	*			cis	84.4	157.1	39.8	-60.4	-163.4	128.8	0	0	115.2
144	E	32.5	Very low	32	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	77%	0.772	S	S	*	*			trans	65.7	151.9	-172.2	-56.7	-167.3	164.2	0	0	117.1
145	S	31.9	Very low	32.2	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	79%	0.785	S	S	*	*				176.1	139	-69.5	54.2	0	0	0	0	108.2
146	S	32.9	Very low	32.3	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	78%	0.783	S	S	*	*			trans	59.7	137.6	162.3	71.7	0	0	0	0	120.5
147	G	30.5	Very low	32.3	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	80%	0.795	S	S	*	*			trans	134.3	109.6	133	0	0	0	0	0	119.7
148	V	33.5	Very low	32.4	Very low	136 Å²	136	140.1 Å²	140.1	82%	0.824	80%	0.8	S	S	*	*			trans	60.9	94.1	138.3	-166.4	0	0	0	0	119.5
149	T	29.4	Very low	32.5	Very low	116 Å²	116	140.7 Å²	140.7	71%	0.712	81%	0.808	S	S	*	*				22.5	123.1	126.5	-12.2	0	0	0	0	120.2
150	K	34.3	Very low	32.4	Very low	210 Å²	210	143.1 Å²	143.1	91%	0.913	82%	0.816	S	S	*	*			trans	-158	133.3	142.5	-113.3	153.8	-171	167.9	0	112.7
151	N	31.6	Very low	32.4	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	82%	0.818	S	S	*	*			trans	-73.1	143.8	177.5	-70.7	-22	0	0	0	111.8
152	R	34	Very low	32.5	Very low	246 Å²	246	144.9 Å²	144.9	93%	0.928	83%	0.826	S	S	*	*			trans	-145.9	120.7	150.3	-114.6	177.1	179.8	170.9	-0.3	109.8
153	A	33.1	Very low	32.4	Very low	98 Å²	98	148.3 Å²	148.3	81%	0.81	83%	0.83	S	S	*	*			trans	-93.8	144.2	173.4	0	0	0	0	0	109.9
154	C	34.9	Very low	32.6	Very low	125 Å²	125	147.4 Å²	147.4	85%	0.845	83%	0.832	S	S	*	*			trans	-126.7	113.8	171	-67.3	0	0	0	0	109.3
155	N	33.7	Very low	32.7	Very low	165 Å²	165	143.8 Å²	143.8	88%	0.882	82%	0.824	S	S	*	*			trans	-64.2	157.4	158.9	-56.2	-33	0	0	0	108.2
156	G	31.1	Very low	32.6	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	83%	0.831	S	S	*	*			cis	139	136.7	8	0	0	0	0	0	108.3
157	L	32.6	Very low	32.7	Very low	178 Å²	178	148.3 Å²	148.3	93%	0.932	83%	0.829	S	S	*	*			trans	-140.7	130	-176.5	-98.7	163.7	0	0	0	110.7
158	T	31	Very low	32.7	Very low	124 Å²	124	152.5 Å²	152.5	76%	0.761	83%	0.83	S	S	*	*			trans	-121.7	143.1	-174.1	-32.9	0	0	0	0	109.9
159	V	35.9	Very low	32.8	Very low	144 Å²	144	152.8 Å²	152.8	87%	0.873	83%	0.832	S	S	*	*			trans	-133.9	141.4	171.8	-178.5	0	0	0	0	108.6
160	Q	29.8	Very low	32.9	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	84%	0.839	S	S	*	*			trans	-128.4	161.2	-173.5	-72.7	-175.6	-25.7	0	0	112.7
161	G	32.9	Very low	32.9	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	83%	0.834	S	S	*	*			trans	103.1	142.4	173.3	0	0	0	0	0	113
162	R	32.2	Very low	33	Very low	238 Å²	238	150.1 Å²	150.1	90%	0.898	84%	0.835	S	S	*	*			cis	-136.2	136.4	0.6	-79.6	173	167.7	164	-6.6	107.7
163	Q	33.3	Very low	32.8	Very low	181 Å²	181	145.3 Å²	145.3	85%	0.846	83%	0.826	S	S	*	*				51.4	112.7	89.2	-74.7	-171.2	-3.3	0	0	116.2
164	D	33.3	Very low	32.8	Very low	170 Å²	170	146.9 Å²	146.9	91%	0.909	83%	0.825	S	S	*	*			trans	-161.5	131.5	145.1	-96.2	-32.2	0	0	0	109.3
165	P	34.6	Very low	32.6	Very low	111 Å²	111	150.5 Å²	150.5	72%	0.721	83%	0.827	S	S	*	*			trans	-132.4	179.2	-177.2	43.4	-30.5	0	0	0	116.3
166	L	31	Very low	32.7	Very low	152 Å²	152	148 Å²	148	80%	0.796	82%	0.822	S	S	*	*			trans	76.2	150.2	172.2	-60	160.1	0	0	0	114
167	I	35	Very low	32.7	Very low	162 Å²	162	152 Å²	152	83%	0.831	83%	0.826	S	S	*	*			cis	-132.2	153.3	41	-72.4	166.3	0	0	0	113.4
168	Q	29.9	Very low	32.8	Very low	157 Å²	157	151.5 Å²	151.5	73%	0.734	82%	0.823	S	S	*	*			trans	-107	150.6	167.1	-63.8	175.1	-17.1	0	0	111.5
169	T	35.3	Very low	33	Very low	141 Å²	141	151.6 Å²	151.6	87%	0.865	82%	0.823	S	S	*	*			trans	-139.2	158.9	150.7	48.8	0	0	0	0	109.8
170	S	31.7	Very low	33.2	Very low	123 Å²	123	149.7 Å²	149.7	86%	0.86	81%	0.814	S	S	*	*			trans	-141.4	154.9	-163.7	-62.4	0	0	0	0	114
171	G	34.5	Very low	33.4	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	81%	0.81	S	S	*	*			trans	155.7	115.5	173.2	0	0	0	0	0	110.8
172	R	32.9	Very low	33.6	Very low	228 Å²	228	150.3 Å²	150.3	86%	0.86	81%	0.81	S	S	*	*			cis	126.7	95.3	8.1	-175.8	-176.7	-170.6	-175.6	4.1	108.8
173	I	29.9	Very low	33.8	Very low	144 Å²	144	144.3 Å²	144.3	74%	0.738	80%	0.804	S	S	*	*			trans	45	116.1	145.6	-51.6	159.4	0	0	0	118.9
174	V	34.6	Very low	33.7	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	81%	0.808	S	S	*	*				-144.4	145.2	129.3	175.1	0	0	0	0	109
175	K	28.9	Very low	33.8	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	80%	0.803	S	S	*	*			trans	-117.8	142.4	161.7	-71.4	-177.2	178.1	-178.3	0	109
176	S	35.9	Very low	33.7	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	81%	0.81	S	S	*	*			trans	-160.5	144.4	158.1	51	0	0	0	0	111.2
177	N	30.7	Very low	33.9	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	81%	0.812	S	S	*	*			trans	-97.9	143.7	-177.7	-46.6	-35.4	0	0	0	111
178	I	36.6	Very low	33.9	Very low	169 Å²	169	138 Å²	138	87%	0.867	81%	0.809	S	S	*	*			trans	-140	141.1	147.3	-60	-175.3	0	0	0	108
179	T	34	Very low	34.2	Very low	125 Å²	125	137.3 Å²	137.3	77%	0.767	81%	0.809	S	S	*	*			trans	-134.9	-173.6	178.4	56.4	0	0	0	0	109.6
180	P	39.9	Very low	34.4	Very low	104 Å²	104	136.8 Å²	136.8	68%	0.675	81%	0.808	S	S	*	*				-114.9	175.8	-96.5	39.3	-24.6	0	0	0	113.6
181	N	34.4	Very low	34.3	Very low	148 Å²	148	136 Å²	136	79%	0.791	80%	0.803	S	S	*	*				178.1	148.6	130	-99	-25.1	0	0	0	117.2
182	V	36.6	Very low	34.6	Very low	128 Å²	128	140.9 Å²	140.9	78%	0.776	81%	0.81	S	S	*	*			trans	50.2	116.5	140.9	-179.2	0	0	0	0	120.9
183	S	37.3	Very low	34.8	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	80%	0.804	S	S	*	*				-171.1	139.3	114.7	61.2	0	0	0	0	112.3
184	N	30.4	Very low	35.2	Very low	172 Å²	172	137.6 Å²	137.6	92%	0.92	81%	0.805	S	S	*	*			trans	-82.6	156.5	174.2	-71.2	-21.6	0	0	0	112.1
185	G	35.2	Very low	35.2	Very low	79 Å²	79	137.7 Å²	137.7	81%	0.814	80%	0.801	S	S	*	*			trans	-156.3	116.4	169.1	0	0	0	0	0	112.3
186	S	33.5	Very low	35.6	Very low	124 Å²	124	132.8 Å²	132.8	87%	0.867	79%	0.793	S	S	*	*			trans	-125.1	144.7	173.3	-53.1	0	0	0	0	108.9
187	S	35.5	Very low	35.6	Very low	119 Å²	119	133 Å²	133	83%	0.832	79%	0.789	S	S	*	*			trans	-138.3	134.2	-178.9	56.9	0	0	0	0	111.7
188	I	35.1	Very low	36	Very low	151 Å²	151	133.2 Å²	133.2	77%	0.774	79%	0.785	S	S	*	*			trans	-131.7	144.3	-174.5	-72.1	176.6	0	0	0	109.2
189	I	35.7	Very low	35.9	Very low	141 Å²	141	131.5 Å²	131.5	72%	0.723	78%	0.778	S	S	*	*			trans	14.1	124.1	159.1	-53.8	161.5	0	0	0	118
190	P	39.4	Very low	36	Very low	131 Å²	131	130.1 Å²	130.1	85%	0.851	77%	0.773	S	S	*	*			trans	-86.6	128.3	154	34	-28.6	0	0	0	111.3
191	S	29.3	Very low	35.8	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	78%	0.779	S	S	*	*			trans	-112.8	145.1	167.3	54.8	0	0	0	0	109.9
192	N	40.9	Very low	35.9	Very low	178 Å²	178	133.9 Å²	133.9	95%	0.952	78%	0.778	S	S	*	*			trans	-137.1	161.7	173.5	-112.4	-17.2	0	0	0	111.4
193	H	37.3	Very low	35.6	Very low	156 Å²	156	131.9 Å²	131.9	72%	0.722	77%	0.77	S	S	*	*			trans	-135.9	138.8	-149.6	-164.5	-70.8	0	0	0	110.6
194	L	38.9	Very low	35.3	Very low	148 Å²	148	131.3 Å²	131.3	78%	0.775	77%	0.766	S	S	*	*			trans	172.8	135	137.6	-113.3	69.4	0	0	0	112.2
195	D	33.5	Very low	35.3	Very low	133 Å²	133	128.7 Å²	128.7	71%	0.711	76%	0.761	S	S	*	*			trans	2.5	147.9	150.3	-44.2	-25.6	0	0	0	119.6
196	S	37.8	Very low	35.1	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	76%	0.764	S	S	*	*			cis	-164.4	147.9	44	54	0	0	0	0	117.7
197	T	35.1	Very low	35.1	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	76%	0.763	S	S	*	*			trans	59.2	126.4	145.6	47.2	0	0	0	0	124.7
198	Q	39.3	Very low	35	Very low	157 Å²	157	139.5 Å²	139.5	73%	0.734	76%	0.764	S	S	*	*			trans	89	116.1	138.3	-75.2	-178.9	73.2	0	0	122.3
199	N	34.5	Very low	35	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	76%	0.764	S	S	*	*			trans	68.5	142	138.8	-60.8	-17.4	0	0	0	119.5
200	S	36.3	Very low	34.8	Very low	95 Å²	95	141.2 Å²	141.2	66%	0.664	77%	0.768	S	S	*	*			cis	-163.8	136.9	-5.1	42.2	0	0	0	0	113.5
201	F	35.1	Very low	34.6	Very low	182 Å²	182	140.8 Å²	140.8	80%	0.798	77%	0.765	S	S	*	*			trans	68.1	129.5	144.4	-76.4	-123.7	0	0	0	121.6
202	L	36.2	Very low	34.8	Very low	149 Å²	149	146.8 Å²	146.8	78%	0.78	77%	0.771	S	S	*	*			trans	26.1	150.3	140	-72.3	93	0	0	0	122.2
203	S	31.1	Very low	34.6	Very low	87 Å²	87	147.2 Å²	147.2	61%	0.608	77%	0.768	S	S	*	*			cis	-174.2	160.5	-17.1	54.7	0	0	0	0	111
204	S	30.7	Very low	34.7	Very low	98 Å²	98	146.8 Å²	146.8	69%	0.685	77%	0.769	S	S	*	*			trans	58.8	121.6	150.9	60.8	0	0	0	0	121.9
205	S	30.3	Very low	35.1	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	76%	0.76	S	S	*	*			trans	72.8	82.9	133.9	-55.1	0	0	0	0	121.4
206	T	32.6	Very low	35.8	Very low	141 Å²	141	141.8 Å²	141.8	87%	0.865	75%	0.747	S	S	*	*			trans	-136.9	139.9	150.2	-45.4	0	0	0	0	112.9
207	R	32.7	Very low	36.4	Very low	224 Å²	224	144.5 Å²	144.5	85%	0.845	74%	0.743	S	S	*	*			trans	-39	133.2	-179	-61.9	165.7	176.7	159.9	-2.1	115.9	N209	R207-N209 PolarHBondContact O-N 2.85Å; R207-N209 VanDerWaalsContact O-N 3.16Å
208	Q	33.5	Very low	37	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	74%	0.737	S	S	*	*			trans	-72.9	98.4	159.3	-74.5	-176.7	-16.2	0	0	110.3
209	N	34.9	Very low	37.8	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	72%	0.722	S	S	*	*			trans	-82.7	117.7	162.2	-79.1	-19	0	0	0	108.8	R207	R207-N209 PolarHBondContact O-N 2.85Å; R207-N209 VanDerWaalsContact O-N 3.16Å
210	F	32.5	Very low	38.8	Very low	185 Å²	185	137.4 Å²	137.4	81%	0.811	70%	0.7	S	S	*	*			trans	-62	130.2	165.2	-79.8	-90.5	0	0	0	109.4	R212	F210-R212 PolarHBondContact O-N 3.05Å
211	P	34.7	Very low	39.5	Very low	122 Å²	122	137 Å²	137	79%	0.792	69%	0.689	S	S	*	*			trans	-68.3	108.8	174.5	27.8	-32.6	0	0	0	109	Q213	P211-Q213 PolarHBondContact O-N 3.37Å; P211-Q213 VanDerWaalsContact O-N 3.12Å
212	R	32.1	Very low	40	Very low	232 Å²	232	132.5 Å²	132.5	88%	0.875	67%	0.673	S	S	*	*			trans	-63.4	114	165.3	-71.9	-172.3	176.7	-144.7	-0.5	107.3	F210 I214	F210-R212 PolarHBondContact O-N 3.05Å; R212-I214 PolarHBondContact O-N 2.83Å
213	Q	37.3	Very low	40.5	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	67%	0.669	S	S	*	*			trans	-73.7	92	-179.9	-162.3	169.7	20	0	0	109	P211 T215	P211-Q213 PolarHBondContact O-N 3.37Å; P211-Q213 VanDerWaalsContact O-N 3.12Å; Q213-T215 PolarHBondContact O-N 3.48Å; Q213-T215 VanDerWaalsContact O-N 3.16Å
214	I	39.4	Very low	41.2	Very low	146 Å²	146	134 Å²	134	75%	0.749	67%	0.667	S	S	*	*			trans	-78	97.2	177.5	-60	172.3	0	0	0	107.6	R212 D216	R212-I214 PolarHBondContact O-N 2.83Å; I214-D216 PolarHBondContact O-N 2.8Å
215	T	47.3	Very low	41.7	Very low	95 Å²	95	133.7 Å²	133.7	58%	0.583	66%	0.661	S	S	*	*			trans	-65.9	113.4	168.5	-56.9	0	0	0	0	108.7	Q213 Y217 I220	Q213-T215 PolarHBondContact O-N 3.48Å; Q213-T215 VanDerWaalsContact O-N 3.16Å; T215-Y217 PolarHBondContact O-N 2.88Å; T215-I220 HydrophobicContact CG2-CD1 3.91Å
216	D	48.4	Very low	42.2	Very low	81 Å²	81	138.2 Å²	138.2	43%	0.433	66%	0.66	S	S	.	*			trans	-73	98.9	179.9	-174.7	8.5	0	0	0	110.9	I214 R218 A219 I220	I214-D216 PolarHBondContact O-N 2.8Å; D216-R218 PolarHBondContact O-N 3.29Å; D216-R218 WeakPolarHBondContact OD1-CA 3.36Å; D216-R218 VanDerWaalsContact OD1-CB 3.31Å; D216-R218 WeakPolarHBondContact OD1-CB 3.17Å; D216-R218 PolarHBondContact OD1-N 2.93Å; D216-A219 HydrophobicContact CB-CB 3.99Å; D216-A219 WeakPolarHBondContact O-CB 3.44Å; D216-A219 PolarHBondContact O-N 3.36Å; D216-I220 PolarHBondContact O-N 3.08Å
217	Y	50.5	Low	42.1	Very low	156 Å²	156	138.9 Å²	138.9	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-58.9	-27.4	174.1	53.9	-87	0	0	0	112.4	T215 I221	T215-Y217 PolarHBondContact O-N 2.88Å; Y217-I221 WeakPolarHBondContact O-CB 3.32Å; Y217-I221 WeakPolarHBondContact O-CD1 3.4Å; Y217-I221 VanDerWaalsContact O-CG1 3.24Å; Y217-I221 WeakPolarHBondContact O-CG1 3.47Å; Y217-I221 PolarHBondContact O-N 3.26Å
218	R	47.9	Very low	42.2	Very low	162 Å²	162	133.8 Å²	133.8	61%	0.611	65%	0.654	S	S	*	*	H	α-helix	trans	-71	-34.9	172.1	-71.9	178.4	163.6	163.3	-4.9	111.8	D216 I220 I221 N222	D216-R218 PolarHBondContact O-N 3.29Å; D216-R218 WeakPolarHBondContact OD1-CA 3.36Å; D216-R218 VanDerWaalsContact OD1-CB 3.31Å; D216-R218 WeakPolarHBondContact OD1-CB 3.17Å; D216-R218 PolarHBondContact OD1-N 2.93Å; R218-I220 VanDerWaalsContact C-N 3.31Å; R218-I220 PolarHBondContact O-N 3.05Å; R218-I221 PolarHBondContact O-N 2.74Å; R218-N222 WeakPolarHBondContact O-CA 3.44Å; R218-N222 WeakPolarHBondContact O-CB 3.47Å; R218-N222 PolarHBondContact O-N 2.63Å; R218-N222 PolarHBondContact O-ND2 2.93Å; R218-N222 PolarHBondContact O-OD1 2.91Å
219	A	56.1	Low	42.2	Very low	49 Å²	49	132.3 Å²	132.3	41%	0.405	65%	0.651	S	S	.	*	H	α-helix	trans	-62.6	-39.8	175.3	0	0	0	0	0	111.7	D216 Q223	D216-A219 HydrophobicContact CB-CB 3.99Å; D216-A219 WeakPolarHBondContact O-CB 3.44Å; D216-A219 PolarHBondContact O-N 3.36Å; A219-Q223 WeakPolarHBondContact O-CG 3.09Å; A219-Q223 PolarHBondContact O-N 3.1Å
220	I	54.8	Low	41.8	Very low	49 Å²	49	133.7 Å²	133.7	25%	0.251	65%	0.652	S	S	.	*	H	α-helix	trans	-67.2	-51	176.4	-59.3	173.2	0	0	0	110.7	T215 D216 R218 N222 Q223 E224	T215-I220 HydrophobicContact CG2-CD1 3.91Å; D216-I220 PolarHBondContact O-N 3.08Å; R218-I220 VanDerWaalsContact C-N 3.31Å; R218-I220 PolarHBondContact O-N 3.05Å; I220-N222 VanDerWaalsContact C-N 3.33Å; I220-N222 PolarHBondContact O-N 3.12Å; I220-Q223 PolarHBondContact O-N 3.01Å; I220-Q223 VanDerWaalsContact O-N 3.09Å; I220-E224 PolarHBondContact O-N 3.21Å
221	I	52.3	Low	41.5	Very low	87 Å²	87	132.9 Å²	132.9	45%	0.446	65%	0.651	S	S	.	*	H	α-helix	trans	-64.5	-37.1	179.9	-66.8	164.9	0	0	0	111.5	Y217 R218 Q223 E224 T225	Y217-I221 WeakPolarHBondContact O-CB 3.32Å; Y217-I221 WeakPolarHBondContact O-CD1 3.4Å; Y217-I221 VanDerWaalsContact O-CG1 3.24Å; Y217-I221 WeakPolarHBondContact O-CG1 3.47Å; Y217-I221 PolarHBondContact O-N 3.26Å; R218-I221 PolarHBondContact O-N 2.74Å; I221-Q223 PolarHBondContact O-N 2.87Å; I221-E224 PolarHBondContact O-N 3.21Å; I221-T225 PolarHBondContact O-N 3.04Å; I221-T225 PolarHBondContact O-OG1 3.28Å
222	N	44.1	Very low	41	Very low	86 Å²	86	134 Å²	134	46%	0.46	65%	0.65	S	S	.	*	H	α-helix	trans	-71.3	-14.1	176	-68.4	-14.2	0	0	0	113.3	R218 I220 T225 R226	R218-N222 WeakPolarHBondContact O-CA 3.44Å; R218-N222 WeakPolarHBondContact O-CB 3.47Å; R218-N222 PolarHBondContact O-N 2.63Å; R218-N222 PolarHBondContact O-ND2 2.93Å; R218-N222 PolarHBondContact O-OD1 2.91Å; I220-N222 VanDerWaalsContact C-N 3.33Å; I220-N222 PolarHBondContact O-N 3.12Å; N222-T225 WeakPolarHBondContact CA-OG1 3.41Å; N222-R226 VanDerWaalsContact O-CB 3.29Å; N222-R226 WeakPolarHBondContact O-CB 3.39Å; N222-R226 WeakPolarHBondContact O-CD 3.17Å; N222-R226 WeakPolarHBondContact O-CG 3.26Å
223	Q	48.6	Very low	40.8	Very low	147 Å²	147	132.2 Å²	132.2	69%	0.687	65%	0.652	S	S	*	*	H	α-helix	trans	-82.5	-43.4	166.8	-77.1	-179.9	-18	0	0	111	A219 I220 I221 T225 R226	A219-Q223 WeakPolarHBondContact O-CG 3.09Å; A219-Q223 PolarHBondContact O-N 3.1Å; I220-Q223 PolarHBondContact O-N 3.01Å; I220-Q223 VanDerWaalsContact O-N 3.09Å; I221-Q223 PolarHBondContact O-N 2.87Å; Q223-T225 PolarHBondContact O-N 3.02Å; Q223-R226 PolarHBondContact O-N 3.45Å
224	E	44.3	Very low	40.2	Very low	120 Å²	120	130.7 Å²	130.7	56%	0.561	65%	0.649	S	S	*	*	H	α-helix	trans	-65	-24.8	173.9	-71.3	-171	145.4	0	0	113.1	I220 I221	I220-E224 PolarHBondContact O-N 3.21Å; I221-E224 PolarHBondContact O-N 3.21Å
225	T	40.7	Very low	39.6	Very low	92 Å²	92	129.1 Å²	129.1	56%	0.564	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	10	179.2	50.5	0	0	0	0	114.9	I221 N222 Q223 L227	I221-T225 PolarHBondContact O-N 3.04Å; I221-T225 PolarHBondContact O-OG1 3.28Å; N222-T225 WeakPolarHBondContact CA-OG1 3.41Å; Q223-T225 PolarHBondContact O-N 3.02Å; T225-L227 PolarHBondContact O-N 3.45Å
226	R	40.8	Very low	38.7	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	66%	0.659	S	S	*	*			trans	-101.1	65	173.8	-90.1	-178.2	169.1	-157	-3	112.9	N222 Q223	N222-R226 VanDerWaalsContact O-CB 3.29Å; N222-R226 WeakPolarHBondContact O-CB 3.39Å; N222-R226 WeakPolarHBondContact O-CD 3.17Å; N222-R226 WeakPolarHBondContact O-CG 3.26Å; Q223-R226 PolarHBondContact O-N 3.45Å
227	L	32.2	Very low	37.9	Very low	154 Å²	154	132.3 Å²	132.3	81%	0.806	66%	0.66	S	S	*	*			trans	-121.5	138.7	153.2	-62.7	173	0	0	0	105.5	T225	T225-L227 PolarHBondContact O-N 3.45Å
228	P	33.2	Very low	37.3	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	65%	0.652	S	S	*	*			cis	-140.2	145.1	44.9	38	-20.4	0	0	0	116.5
229	L	34.2	Very low	36.6	Very low	153 Å²	153	128.2 Å²	128.2	80%	0.801	66%	0.659	S	S	*	*			trans	-147.7	113.8	150.3	-76.5	-178.3	0	0	0	109.1
230	E	27.3	Very low	35.6	Very low	172 Å²	172	131.7 Å²	131.7	80%	0.804	67%	0.667	S	S	*	*				21.6	125.4	127.3	-74.8	154.4	-155.6	0	0	117.6
231	E	25.5	Very low	34.8	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	68%	0.683	S	S	*	*			cis	-151.5	171.3	8.5	-88.7	175.6	149	0	0	111.3
232	N	25	Very low	34	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	68%	0.684	S	S	*	*			trans	54.5	68.1	163.1	-70.5	-37.6	0	0	0	117.9
233	Q	27.3	Very low	34	Very low	196 Å²	196	136.5 Å²	136.5	92%	0.916	68%	0.682	S	S	*	*			trans	-104	108.5	148.1	-67.9	-176.7	30	0	0	108.4
234	L	25.4	Very low	33.9	Very low	156 Å²	156	134.8 Å²	134.8	82%	0.817	67%	0.672	S	S	*	*			trans	-64.3	141.1	166.8	-75.7	93.7	0	0	0	108.6	E236	L234-E236 PolarHBondContact O-N 2.93Å
235	S	25.8	Very low	33.9	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	68%	0.676	S	S	*	*			trans	-67	96.8	170.9	50.3	0	0	0	0	109.7	D237	S235-D237 PolarHBondContact O-N 3.46Å
236	E	29.5	Very low	34.3	Very low	157 Å²	157	131.4 Å²	131.4	73%	0.734	66%	0.66	S	S	*	*			trans	-60.5	105.8	165.8	-76.2	-162.4	165.1	0	0	108.5	L234	L234-E236 PolarHBondContact O-N 2.93Å
237	D	30.8	Very low	34.5	Very low	86 Å²	86	123.8 Å²	123.8	46%	0.46	65%	0.647	S	S	.	*			trans	-67.4	131.3	177.7	-147.3	-34.3	0	0	0	108.4	S235 Q239 E240	S235-D237 PolarHBondContact O-N 3.46Å; D237-Q239 PolarHBondContact O-N 3.29Å; D237-E240 HydrophobicContact CB-CG 4.17Å; D237-E240 PolarHBondContact O-N 3.17Å
238	P	38.3	Very low	35.1	Very low	69 Å²	69	119.6 Å²	119.6	45%	0.448	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-5.9	-174.9	-28.6	37.5	0	0	0	115.9
239	Q	33.3	Very low	35.8	Very low	162 Å²	162	120.1 Å²	120.1	76%	0.757	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-21.3	173.3	-54.4	-167.1	-108.7	0	0	113.3	D237	D237-Q239 PolarHBondContact O-N 3.29Å
240	E	34.2	Very low	36.4	Very low	123 Å²	123	121.4 Å²	121.4	58%	0.575	63%	0.625	S	S	*	*			trans	-92	2.9	-174.6	-64.4	-169.9	148.4	0	0	113.9	D237 L242	D237-E240 HydrophobicContact CB-CG 4.17Å; D237-E240 PolarHBondContact O-N 3.17Å; E240-L242 PolarHBondContact O-N 3.18Å
241	R	38.4	Very low	37.6	Very low	153 Å²	153	116.6 Å²	116.6	58%	0.577	62%	0.621	S	S	*	*			trans	-74.7	76.3	177.6	-157.9	176.9	-158.8	-172.8	5.9	111.6
242	L	35.3	Very low	39.2	Very low	90 Å²	90	110.8 Å²	110.8	47%	0.471	59%	0.593	S	S	.	*			trans	-48.8	137.5	-178.2	-70.7	159.1	0	0	0	112.3	E53 E240 K244	E53-L242 VanDerWaalsContact O-CD1 3.29Å; E53-L242 WeakPolarHBondContact O-CD1 3.39Å; E240-L242 PolarHBondContact O-N 3.18Å; L242-K244 PolarHBondContact O-N 2.96Å; L242-K244 VanDerWaalsContact O-N 3.11Å
243	L	43	Very low	41.1	Very low	80 Å²	80	107.4 Å²	107.4	42%	0.419	58%	0.577	S	S	.	*			trans	-61	115.2	169.7	-71.1	171	0	0	0	108.9	P245 F268 H368	L243-P245 VanDerWaalsContact O-N 3.14Å; L243-F268 HydrophobicContact CD1-CE1 4.32Å; L243-F268 HydrophobicContact CD2-CE1 4.21Å; L243-F268 HydrophobicContact CD2-CE2 3.89Å; L243-F268 HydrophobicContact CD2-CZ 3.62Å; L243-F268 HydrophobicContact CG-CZ 4.33Å; L243-H368 WeakPolarHBondContact CD2-CE1 3.32Å
244	K	46.8	Very low	43.2	Very low	111 Å²	111	101 Å²	101	48%	0.483	56%	0.563	S	S	.	*			trans	-43.9	123.3	169.6	-65.4	176.4	-172	166.1	0	108.6	L242 L246 F367	L242-K244 PolarHBondContact O-N 2.96Å; L242-K244 VanDerWaalsContact O-N 3.11Å; K244-L246 PolarHBondContact O-N 2.99Å; K244-F367 HydrophobicContact CB-CD1 4.37Å; K244-F367 HydrophobicContact CB-CE1 3.56Å; K244-F367 HydrophobicContact CB-CE2 4.05Å; K244-F367 HydrophobicContact CB-CZ 3.37Å; K244-F367 HydrophobicContact CD-CD2 4.21Å; K244-F367 HydrophobicContact CD-CE2 3.96Å; K244-F367 HydrophobicContact CD-CZ 4.14Å; K244-F367 WeakPolarHBondContact CD-O 3.48Å; K244-F367 WeakPolarHBondContact CE-O 3.45Å; K244-F367 HydrophobicContact CG-CZ 4.42Å; K244-F367 PolarHBondContact NZ-O 3.1Å; K244-F367 WeakPolarHBondContact O-CE1 3.23Å
245	P	44.8	Very low	45.6	Very low	99 Å²	99	98.8 Å²	98.8	64%	0.643	55%	0.549	S	S	*	.			trans	-67.3	129.6	-169.8	21.9	-32.3	0	0	0	111.7	L243 G247 S248	L243-P245 VanDerWaalsContact O-N 3.14Å; P245-G247 PolarHBondContact O-N 3.12Å; P245-S248 PolarHBondContact O-N 2.68Å
246	L	49.5	Very low	47.9	Very low	42 Å²	42	95.6 Å²	95.6	22%	0.22	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-58.2	-8.7	179.6	-62	176.2	0	0	0	114.2	K244 S248 A260 L364 F367	K244-L246 PolarHBondContact O-N 2.99Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 2.89Å; L246-A260 HydrophobicContact CD1-CB 4.16Å; L246-L364 HydrophobicContact CD2-CD2 3.57Å; L246-F367 HydrophobicContact CD2-CE1 4.21Å
247	G	44.1	Very low	49.9	Very low	52 Å²	52	93 Å²	93	54%	0.536	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-73.1	-8.8	170.7	0	0	0	0	0	115	P245	P245-G247 PolarHBondContact O-N 3.12Å
248	S	45.8	Very low	52.1	Low	67 Å²	67	92.4 Å²	92.4	47%	0.469	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-88.9	1.1	-178.4	-147.5	0	0	0	0	115.3	K27 P245 L246	K27-S248 PolarHBondContact NZ-OG 2.69Å; P245-S248 PolarHBondContact O-N 2.68Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 2.89Å
249	Y	47.5	Very low	53.9	Low	129 Å²	129	89.7 Å²	89.7	51%	0.506	49%	0.487	S	S	.	.	S	Bend	trans	-107.6	111.1	167.9	-104	-104	0	0	0	109.4	G251 Y252 F367	Y249-G251 VanDerWaalsContact C-N 3.26Å; Y249-G251 PolarHBondContact O-N 2.86Å; Y249-G251 VanDerWaalsContact O-N 3.17Å; Y249-Y252 HydrophobicContact CD1-CE1 4.47Å; Y249-Y252 HydrophobicContact CD1-CE2 4.24Å; Y249-Y252 AromaticContact CD1-CZ 3.84Å; Y249-Y252 AromaticContact CG-CE2 3.88Å; Y249-Y252 HydrophobicContact CG-CE2 3.88Å; Y249-Y252 AromaticContact CG-CZ 3.93Å; Y249-F367 HydrophobicContact CD2-CD2 4.25Å; Y249-F367 HydrophobicContact CD2-CE2 4.09Å; Y249-F367 AromaticContact CE2-CD2 3.97Å; Y249-F367 HydrophobicContact CE2-CD2 3.97Å; Y249-F367 HydrophobicContact CE2-CE2 4.16Å
250	L	47.6	Very low	55.8	Low	180 Å²	180	82.3 Å²	82.3	94%	0.942	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	8.1	-163.6	-136.7	73.3	0	0	0	115.3
251	G	52	Low	57.8	Low	70 Å²	70	80 Å²	80	72%	0.722	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-6.1	-170.5	0	0	0	0	0	117	Y249 T253	Y249-G251 VanDerWaalsContact C-N 3.26Å; Y249-G251 PolarHBondContact O-N 2.86Å; Y249-G251 VanDerWaalsContact O-N 3.17Å; G251-T253 PolarHBondContact O-N 2.85Å
252	Y	57.9	Low	59.4	Low	47 Å²	47	74.5 Å²	74.5	18%	0.184	43%	0.429	C	S	.	.			trans	-73.7	127	-173.1	-64.8	-44.1	0	0	0	113.7	Y249 W256 E363	Y249-Y252 HydrophobicContact CD1-CE1 4.47Å; Y249-Y252 HydrophobicContact CD1-CE2 4.24Å; Y249-Y252 AromaticContact CD1-CZ 3.84Å; Y249-Y252 AromaticContact CG-CE2 3.88Å; Y249-Y252 HydrophobicContact CG-CE2 3.88Å; Y249-Y252 AromaticContact CG-CZ 3.93Å; Y252-W256 HydrophobicContact CD1-CB 4.1Å; Y252-W256 AromaticContact CD1-CD2 3.83Å; Y252-W256 HydrophobicContact CD1-CD2 3.83Å; Y252-W256 AromaticContact CD1-CE3 3.39Å; Y252-W256 HydrophobicContact CD1-CE3 3.39Å; Y252-W256 HydrophobicContact CD1-CG 4.14Å; Y252-W256 HydrophobicContact CD1-CZ3 4.09Å; Y252-W256 HydrophobicContact CE1-CD2 4.22Å; Y252-W256 AromaticContact CE1-CE3 3.37Å; Y252-W256 HydrophobicContact CE1-CE3 3.37Å; Y252-W256 AromaticContact CE1-CZ3 3.61Å; Y252-W256 HydrophobicContact CE1-CZ3 3.61Å; Y252-W256 HydrophobicContact CG-CB 4.25Å; Y252-W256 HydrophobicContact CG-CE3 4.36Å; Y252-E363 PolarHBondContact OH-OE2 3.11Å
253	T	66.6	Low	61.2	Low	73 Å²	73	70.2 Å²	70.2	45%	0.448	41%	0.407	S	S	.	.			trans	-65.7	168.2	171.7	71.1	0	0	0	0	112	G251 E255 W256 R257	G251-T253 PolarHBondContact O-N 2.85Å; T253-E255 VanDerWaalsContact C-N 3.25Å; T253-E255 PolarHBondContact O-N 3.27Å; T253-W256 PolarHBondContact O-N 3.1Å; T253-W256 PolarHBondContact OG1-N 3.33Å; T253-R257 PolarHBondContact O-N 3.37Å; T253-R257 VanDerWaalsContact O-N 3.07Å
254	G	70.9	Confident	62.6	Low	61 Å²	61	68.6 Å²	68.6	63%	0.629	40%	0.402	S	S	*	.	H	α-helix	trans	-57.7	-38.1	174.1	0	0	0	0	0	113	R257 S258	G254-R257 PolarHBondContact O-N 3.48Å; G254-S258 PolarHBondContact O-N 2.92Å
255	E	74.7	Confident	63.6	Low	111 Å²	111	72.6 Å²	72.6	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-50.7	173.9	-63.4	172.3	-153.6	0	0	111.3	T253 R257 S258 L259 K356	T253-E255 VanDerWaalsContact C-N 3.25Å; T253-E255 PolarHBondContact O-N 3.27Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 3.36Å; E255-S258 WeakPolarHBondContact O-CA 3.33Å; E255-S258 WeakPolarHBondContact O-CB 3.17Å; E255-S258 PolarHBondContact O-N 2.83Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3Å; E255-K356 IonicContact OE2-NZ 3.24Å; E255-K356 PolarHBondContact OE2-NZ 2.99Å
256	W	75	Confident	64.3	Low	45 Å²	45	72 Å²	72	17%	0.17	41%	0.405	C	S	.	.	H	α-helix	trans	-56.4	-44.5	178.5	-94.1	77.8	0	0	0	112.3	Y252 T253 S258 L259 A260 R359 V360 E363	Y252-W256 HydrophobicContact CD1-CB 4.1Å; Y252-W256 AromaticContact CD1-CD2 3.83Å; Y252-W256 HydrophobicContact CD1-CD2 3.83Å; Y252-W256 AromaticContact CD1-CE3 3.39Å; Y252-W256 HydrophobicContact CD1-CE3 3.39Å; Y252-W256 HydrophobicContact CD1-CG 4.14Å; Y252-W256 HydrophobicContact CD1-CZ3 4.09Å; Y252-W256 HydrophobicContact CE1-CD2 4.22Å; Y252-W256 AromaticContact CE1-CE3 3.37Å; Y252-W256 HydrophobicContact CE1-CE3 3.37Å; Y252-W256 AromaticContact CE1-CZ3 3.61Å; Y252-W256 HydrophobicContact CE1-CZ3 3.61Å; Y252-W256 HydrophobicContact CG-CB 4.25Å; Y252-W256 HydrophobicContact CG-CE3 4.36Å; T253-W256 PolarHBondContact O-N 3.1Å; T253-W256 PolarHBondContact OG1-N 3.33Å; W256-S258 VanDerWaalsContact C-N 3.35Å; W256-S258 PolarHBondContact O-N 3.21Å; W256-L259 PolarHBondContact O-N 2.67Å; W256-A260 VanDerWaalsContact O-CB 3.32Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.42Å; W256-R359 HydrophobicContact CH2-CB 3.77Å; W256-R359 HydrophobicContact CZ2-CB 3.96Å; W256-V360 HydrophobicContact CD2-CG2 3.69Å; W256-V360 HydrophobicContact CE3-CB 4.17Å; W256-V360 HydrophobicContact CE3-CG1 4.27Å; W256-V360 HydrophobicContact CE3-CG2 3.4Å; W256-V360 HydrophobicContact CG-CG2 4.43Å; W256-V360 HydrophobicContact CH2-CG2 3.91Å; W256-V360 HydrophobicContact CZ2-CG2 4.17Å; W256-V360 HydrophobicContact CZ3-CB 3.98Å; W256-V360 HydrophobicContact CZ3-CG1 4.36Å; W256-V360 HydrophobicContact CZ3-CG2 3.52Å; W256-E363 VanDerWaalsContact CH2-CD 3.46Å; W256-E363 WeakPolarHBondContact CH2-OE1 3.28Å; W256-E363 WeakPolarHBondContact CH2-OE2 3.42Å; W256-E363 HydrophobicContact CZ3-CB 4.44Å; W256-E363 WeakPolarHBondContact CZ3-OE2 3.32Å
257	R	71.6	Confident	64.9	Low	103 Å²	103	70.7 Å²	70.7	39%	0.389	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-37.1	175.3	-176.4	173.1	-77.6	95	1	112.4	T253 G254 E255 L261	T253-R257 PolarHBondContact O-N 3.37Å; T253-R257 VanDerWaalsContact O-N 3.07Å; G254-R257 PolarHBondContact O-N 3.48Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 3.36Å; R257-L261 HydrophobicContact CG-CD1 4.07Å; R257-L261 HydrophobicContact CG-CG 4.49Å; R257-L261 WeakPolarHBondContact O-CB 3.15Å; R257-L261 VanDerWaalsContact O-CG 3.23Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.42Å
258	S	76.7	Confident	65.7	Low	73 Å²	73	69.9 Å²	69.9	51%	0.51	38%	0.38	S	S	.	.	H	α-helix	trans	-68	-41.2	175.6	-163.5	0	0	0	0	112.6	G254 E255 W256 L261 T262	G254-S258 PolarHBondContact O-N 2.92Å; E255-S258 WeakPolarHBondContact O-CA 3.33Å; E255-S258 WeakPolarHBondContact O-CB 3.17Å; E255-S258 PolarHBondContact O-N 2.83Å; W256-S258 VanDerWaalsContact C-N 3.35Å; W256-S258 PolarHBondContact O-N 3.21Å; S258-L261 PolarHBondContact O-N 3.21Å; S258-T262 PolarHBondContact O-N 3.22Å; S258-T262 VanDerWaalsContact O-N 3.09Å; S258-T262 PolarHBondContact O-OG1 3.19Å
259	L	76	Confident	66.4	Low	12 Å²	12	70.1 Å²	70.1	6%	0.063	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-47.7	174.9	-67.2	175.6	0	0	0	110.2	E255 W256 L261 T262 I263 W350 K356 L357 V360	E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3Å; W256-L259 PolarHBondContact O-N 2.67Å; L259-L261 PolarHBondContact O-N 2.57Å; L259-T262 PolarHBondContact O-N 2.94Å; L259-I263 WeakPolarHBondContact O-CG1 3.2Å; L259-I263 PolarHBondContact O-N 3.47Å; L259-W350 HydrophobicContact CD2-CE3 3.91Å; L259-W350 HydrophobicContact CD2-CH2 3.98Å; L259-W350 HydrophobicContact CD2-CZ3 3.36Å; L259-K356 HydrophobicContact CD1-CB 3.53Å; L259-K356 HydrophobicContact CD1-CD 4.26Å; L259-L357 HydrophobicContact CB-CD1 4.46Å; L259-L357 HydrophobicContact CD2-CD1 3.99Å; L259-V360 HydrophobicContact CB-CB 4.48Å; L259-V360 HydrophobicContact CB-CG1 4.36Å; L259-V360 HydrophobicContact CB-CG2 3.92Å; L259-V360 HydrophobicContact CD1-CG2 3.96Å
260	A	74	Confident	66.9	Low	8 Å²	8	69 Å²	69	7%	0.066	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-43.6	178	0	0	0	0	0	112.3	L246 W256 T262 I263 S264 V360 L364	L246-A260 HydrophobicContact CD1-CB 4.16Å; W256-A260 VanDerWaalsContact O-CB 3.32Å; W256-A260 WeakPolarHBondContact O-CB 3.35Å; W256-A260 PolarHBondContact O-N 3.42Å; A260-T262 PolarHBondContact O-N 3Å; A260-I263 PolarHBondContact O-N 3.17Å; A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.3Å; A260-S264 PolarHBondContact O-OG 3.01Å; A260-V360 HydrophobicContact CB-CG1 3.79Å; A260-L364 HydrophobicContact CB-CD1 4.1Å; A260-L364 HydrophobicContact CB-CD2 4.45Å
261	L	74.8	Confident	67.8	Low	73 Å²	73	63.2 Å²	63.2	38%	0.382	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-23.4	175.4	-76.7	170.8	0	0	0	113.7	R257 S258 L259 S264 R265	R257-L261 HydrophobicContact CG-CD1 4.07Å; R257-L261 HydrophobicContact CG-CG 4.49Å; R257-L261 WeakPolarHBondContact O-CB 3.15Å; R257-L261 VanDerWaalsContact O-CG 3.23Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 3.42Å; S258-L261 PolarHBondContact O-N 3.21Å; L259-L261 PolarHBondContact O-N 2.57Å; L261-S264 WeakPolarHBondContact CA-OG 3.33Å; L261-S264 PolarHBondContact O-OG 3.32Å; L261-R265 WeakPolarHBondContact O-CD 3.3Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å
262	T	73	Confident	68.8	Low	38 Å²	38	61.1 Å²	61.1	23%	0.233	32%	0.319	C	S	.	.	H	α-helix	trans	-85.3	-38.5	175.5	-43.7	0	0	0	0	110.8	S258 L259 A260 S264 R265 D266 W350	S258-T262 PolarHBondContact O-N 3.22Å; S258-T262 VanDerWaalsContact O-N 3.09Å; S258-T262 PolarHBondContact O-OG1 3.19Å; L259-T262 PolarHBondContact O-N 2.94Å; A260-T262 PolarHBondContact O-N 3Å; T262-S264 VanDerWaalsContact C-N 3.35Å; T262-S264 PolarHBondContact O-N 3.12Å; T262-R265 PolarHBondContact O-N 3.22Å; T262-R265 VanDerWaalsContact O-N 3.14Å; T262-D266 WeakPolarHBondContact O-CB 3.28Å; T262-D266 PolarHBondContact O-N 3.49Å; T262-W350 HydrophobicContact CG2-CH2 3.69Å; T262-W350 HydrophobicContact CG2-CZ2 3.53Å
263	I	73.3	Confident	69.9	Low	1 Å²	1	65 Å²	65	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-45	170.9	-63.8	166.8	0	0	0	110.2	L259 A260 R265 I267 F268 F339 L357 V360 L361 L364	L259-I263 WeakPolarHBondContact O-CG1 3.2Å; L259-I263 PolarHBondContact O-N 3.47Å; A260-I263 PolarHBondContact O-N 3.17Å; I263-R265 PolarHBondContact O-N 3.4Å; I263-R265 VanDerWaalsContact O-N 3.08Å; I263-I267 HydrophobicContact CB-CD1 4.42Å; I263-I267 HydrophobicContact CG1-CD1 4.2Å; I263-I267 HydrophobicContact CG2-CB 4.1Å; I263-I267 HydrophobicContact CG2-CD1 4.16Å; I263-I267 HydrophobicContact CG2-CG2 4.11Å; I263-I267 WeakPolarHBondContact O-CB 3.49Å; I263-I267 PolarHBondContact O-N 3.24Å; I263-F268 PolarHBondContact O-N 3.02Å; I263-F339 HydrophobicContact CG2-CD1 4.28Å; I263-L357 HydrophobicContact CD1-CD1 3.8Å; I263-L357 HydrophobicContact CD1-CG 4.08Å; I263-L357 HydrophobicContact CG1-CD1 3.74Å; I263-L357 HydrophobicContact CG1-CG 4.3Å; I263-V360 HydrophobicContact CD1-CB 3.89Å; I263-V360 HydrophobicContact CD1-CG1 3.73Å; I263-L361 HydrophobicContact CD1-CB 4.24Å; I263-L361 HydrophobicContact CG2-CD1 4.37Å; I263-L364 HydrophobicContact CB-CD1 4.02Å; I263-L364 HydrophobicContact CD1-CD1 4.21Å; I263-L364 HydrophobicContact CG2-CD1 3.86Å
264	S	72.5	Confident	70.9	Confident	45 Å²	45	62.4 Å²	62.4	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-69.1	-4.6	178.1	75	0	0	0	0	114.6	A260 L261 T262	A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.3Å; A260-S264 PolarHBondContact O-OG 3.01Å; L261-S264 WeakPolarHBondContact CA-OG 3.33Å; L261-S264 PolarHBondContact O-OG 3.32Å; T262-S264 VanDerWaalsContact C-N 3.35Å; T262-S264 PolarHBondContact O-N 3.12Å
265	R	67.4	Low	71.9	Confident	195 Å²	195	65.3 Å²	65.3	74%	0.736	32%	0.319	S	S	*	.	H	α-helix	trans	-107.1	-47.7	175.2	-74.1	171.8	-178.7	-171.9	-1.7	112.5	L261 T262 I263	L261-R265 WeakPolarHBondContact O-CD 3.3Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; T262-R265 PolarHBondContact O-N 3.22Å; T262-R265 VanDerWaalsContact O-N 3.14Å; I263-R265 PolarHBondContact O-N 3.4Å; I263-R265 VanDerWaalsContact O-N 3.08Å
266	D	59.8	Low	72.8	Confident	86 Å²	86	60.5 Å²	60.5	46%	0.46	30%	0.296	S	S	.	.	H	α-helix	trans	-85.3	-25.8	-173.7	-80.2	35.6	0	0	0	113.2	T262 K349	T262-D266 WeakPolarHBondContact O-CB 3.28Å; T262-D266 PolarHBondContact O-N 3.49Å; D266-K349 IonicContact OD2-NZ 3.89Å; D266-K349 PolarHBondContact OD2-NZ 2.81Å
267	I	61.7	Low	73.6	Confident	15 Å²	15	65 Å²	65	8%	0.077	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-22.4	-162.5	-70.7	164.8	0	0	0	113	I263 F339 N340 I341	I263-I267 HydrophobicContact CB-CD1 4.42Å; I263-I267 HydrophobicContact CG1-CD1 4.2Å; I263-I267 HydrophobicContact CG2-CB 4.1Å; I263-I267 HydrophobicContact CG2-CD1 4.16Å; I263-I267 HydrophobicContact CG2-CG2 4.11Å; I263-I267 WeakPolarHBondContact O-CB 3.49Å; I263-I267 PolarHBondContact O-N 3.24Å; I267-F339 HydrophobicContact CG2-CB 3.72Å; I267-F339 HydrophobicContact CG2-CD1 4.03Å; I267-F339 HydrophobicContact CG2-CG 4.37Å; I267-N340 PolarHBondContact O-N 3.33Å; I267-I341 HydrophobicContact CB-CG1 4.39Å; I267-I341 HydrophobicContact CD1-CD1 4.04Å; I267-I341 HydrophobicContact CD1-CG1 3.91Å; I267-I341 HydrophobicContact CD1-CG2 4.19Å; I267-I341 HydrophobicContact CG1-CG1 3.97Å; I267-I341 HydrophobicContact CG2-CD1 4.02Å; I267-I341 HydrophobicContact CG2-CG1 3.55Å
268	F	61.2	Low	74.5	Confident	36 Å²	36	65 Å²	65	16%	0.158	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.7	-175.5	-175.7	-106.1	0	0	0	112.6	L243 I263 Q270 T337	L243-F268 HydrophobicContact CD1-CE1 4.32Å; L243-F268 HydrophobicContact CD2-CE1 4.21Å; L243-F268 HydrophobicContact CD2-CE2 3.89Å; L243-F268 HydrophobicContact CD2-CZ 3.62Å; L243-F268 HydrophobicContact CG-CZ 4.33Å; I263-F268 PolarHBondContact O-N 3.02Å; F268-Q270 HydrophobicContact CE1-CB 4.46Å; F268-Q270 HydrophobicContact CE1-CG 3.74Å; F268-Q270 HydrophobicContact CZ-CG 3.7Å; F268-T337 HydrophobicContact CE2-CG2 4.09Å
269	L	60.7	Low	75.3	Confident	72 Å²	72	62 Å²	62	38%	0.377	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.1	168.7	-70.3	171.6	0	0	0	109.8	N271 F338 N340	L269-N271 PolarHBondContact O-N 3.07Å; L269-N271 VanDerWaalsContact O-N 3.16Å; L269-F338 HydrophobicContact CB-CD1 4.4Å; L269-F338 HydrophobicContact CD1-CD1 4.47Å; L269-F338 PolarHBondContact N-O 2.76Å; L269-N340 HydrophobicContact CD1-CB 4.38Å
270	Q	58.1	Low	76.2	Confident	104 Å²	104	63.4 Å²	63.4	49%	0.486	32%	0.316	S	S	.	.	S	Bend	trans	-67.6	108.1	161.4	-95	170.1	-21.2	0	0	108.2	F268	F268-Q270 HydrophobicContact CE1-CB 4.46Å; F268-Q270 HydrophobicContact CE1-CG 3.74Å; F268-Q270 HydrophobicContact CZ-CG 3.7Å
271	N	66.3	Low	77	Confident	60 Å²	60	64.2 Å²	64.2	32%	0.321	33%	0.326	S	S	.	.			trans	50.5	96.1	175.9	-59.2	-37.6	0	0	0	114.1	L269 N273	L269-N271 PolarHBondContact O-N 3.07Å; L269-N271 VanDerWaalsContact O-N 3.16Å; N271-N273 PolarHBondContact O-N 2.97Å
272	P	72.9	Confident	77.9	Confident	26 Å²	26	62.1 Å²	62.1	17%	0.169	32%	0.315	C	S	.	.			trans	-66	9.3	-178.5	29.8	-37.9	0	0	0	115.7	V274 K328 A331 T332 F338	P272-V274 VanDerWaalsContact C-N 3.33Å; P272-V274 PolarHBondContact O-N 2.81Å; P272-K328 HydrophobicContact CB-CB 3.91Å; P272-K328 HydrophobicContact CB-CD 4.11Å; P272-K328 HydrophobicContact CB-CG 3.77Å; P272-K328 HydrophobicContact CG-CB 3.66Å; P272-K328 HydrophobicContact CG-CG 3.92Å; P272-K328 WeakPolarHBondContact CG-O 3.24Å; P272-A331 HydrophobicContact CG-CB 4.3Å; P272-T332 WeakPolarHBondContact CD-OG1 3.45Å; P272-F338 HydrophobicContact CG-CD1 4.21Å; P272-F338 HydrophobicContact CG-CE1 4.45Å
273	N	80.8	Confident	78.8	Confident	127 Å²	127	64.9 Å²	64.9	68%	0.679	34%	0.336	S	S	*	.			trans	47.4	45.9	176.5	-156.7	42.6	0	0	0	114.9	N271 T332	N271-N273 PolarHBondContact O-N 2.97Å; N273-T332 PolarHBondContact N-OG1 2.89Å
274	V	88.4	Confident	79.7	Confident	20 Å²	20	68.3 Å²	68.3	12%	0.121	36%	0.36	C	S	.	.			trans	-122.1	130.7	168.4	-178.6	0	0	0	0	107.2	P272 D278 I279 L325 K328 A329 T332	P272-V274 VanDerWaalsContact C-N 3.33Å; P272-V274 PolarHBondContact O-N 2.81Å; V274-D278 HydrophobicContact CG1-CB 4.16Å; V274-I279 HydrophobicContact CG1-CD1 4.47Å; V274-I279 HydrophobicContact CG1-CG1 4.28Å; V274-L325 HydrophobicContact CG2-CD2 4.36Å; V274-K328 HydrophobicContact CB-CB 4.08Å; V274-K328 HydrophobicContact CG2-CB 4.06Å; V274-K328 HydrophobicContact CG2-CD 4.38Å; V274-A329 HydrophobicContact CG1-CB 4.31Å; V274-A329 WeakPolarHBondContact O-CA 3.42Å; V274-T332 WeakPolarHBondContact O-CB 3.43Å; V274-T332 VanDerWaalsContact O-CG2 3.31Å; V274-T332 WeakPolarHBondContact O-CG2 3.43Å
275	R	91.8	Very high	80.8	Confident	122 Å²	122	66.2 Å²	66.2	46%	0.46	35%	0.345	S	S	.	.			trans	-104.4	176.6	178.4	-62.1	-168.3	170.1	-74.8	-1	111.5	D277 D278 T332 E333	R275-D277 PolarHBondContact O-N 3.49Å; R275-D278 PolarHBondContact N-OD2 3.45Å; R275-T332 HydrophobicContact CG-CG2 4.41Å; R275-E333 IonicContact NH1-OE1 2.74Å; R275-E333 PolarHBondContact NH1-OE1 3.5Å
276	W	92.3	Very high	82	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.038	32%	0.317	C	S	.	.	S	Bend	trans	-62.6	-26	171.6	-67.8	118.3	0	0	0	113.5	K286 V289 K290 V294 L326 A329 V330 E333	W276-K286 HydrophobicContact CE3-CB 4.49Å; W276-K286 HydrophobicContact CE3-CD 4.4Å; W276-K286 HydrophobicContact CE3-CG 4.02Å; W276-K286 HydrophobicContact CZ3-CG 4.31Å; W276-K286 WeakPolarHBondContact O-CE 3.45Å; W276-K286 PolarHBondContact O-NZ 3.34Å; W276-V289 HydrophobicContact CH2-CG1 3.85Å; W276-K290 VanDerWaalsContact CG-CE 3.43Å; W276-K290 HydrophobicContact CZ2-CG 4Å; W276-V294 HydrophobicContact CZ2-CG2 3.93Å; W276-L326 HydrophobicContact CZ3-CD1 3.85Å; W276-L326 HydrophobicContact CZ3-CG 4.48Å; W276-A329 HydrophobicContact CD2-CB 4.41Å; W276-A329 HydrophobicContact CE3-CB 3.97Å; W276-A329 HydrophobicContact CH2-CB 4.41Å; W276-A329 HydrophobicContact CZ3-CB 3.97Å; W276-V330 HydrophobicContact CH2-CG2 3.79Å; W276-V330 HydrophobicContact CZ2-CG2 4.45Å; W276-E333 VanDerWaalsContact CD1-CG 3.48Å; W276-E333 HydrophobicContact CD2-CG 4.34Å; W276-E333 HydrophobicContact CG-CG 4.14Å; W276-E333 HydrophobicContact CZ2-CB 4.25Å; W276-E333 HydrophobicContact CZ2-CG 4.46Å; W276-E333 PolarHBondContact NE1-OE2 2.87Å
277	D	92.6	Very high	83.7	Confident	140 Å²	140	61.3 Å²	61.3	75%	0.749	32%	0.321	S	S	*	.	S	Bend	trans	-87.7	-26.3	-171.5	-51.1	-44.9	0	0	0	112.3	R275 I279	R275-D277 PolarHBondContact O-N 3.49Å; D277-I279 PolarHBondContact O-N 2.94Å
278	D	91	Very high	85.2	Confident	101 Å²	101	61.6 Å²	61.6	54%	0.54	32%	0.322	S	S	.	.	S	Bend	trans	-67.4	-12.1	173.5	-56.1	-42.9	0	0	0	113.3	V274 R275	V274-D278 HydrophobicContact CG1-CB 4.16Å; R275-D278 PolarHBondContact N-OD2 3.45Å
279	I	93.4	Very high	86.8	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.051	32%	0.315	C	S	.	.	S	Bend	trans	-98.8	110.3	-179	-61.5	177.9	0	0	0	109	V274 D277 G281 L282 K286 L325 L326 A329	V274-I279 HydrophobicContact CG1-CD1 4.47Å; V274-I279 HydrophobicContact CG1-CG1 4.28Å; D277-I279 PolarHBondContact O-N 2.94Å; I279-G281 PolarHBondContact O-N 2.92Å; I279-L282 HydrophobicContact CG2-CD1 3.97Å; I279-K286 WeakPolarHBondContact O-CE 3.26Å; I279-K286 PolarHBondContact O-NZ 3.44Å; I279-L325 HydrophobicContact CD1-CB 4.3Å; I279-L325 HydrophobicContact CG1-CB 4.32Å; I279-L326 HydrophobicContact CD1-CB 4.4Å; I279-L326 HydrophobicContact CD1-CD1 3.98Å; I279-A329 HydrophobicContact CD1-CB 3.63Å
280	I	93.4	Very high	88.3	Confident	42 Å²	42	59.2 Å²	59.2	22%	0.215	31%	0.309	C	S	.	.			trans	-72.6	128.3	178.6	-59.8	167.4	0	0	0	110.3	A464 H467 M468	I280-A464 HydrophobicContact CG2-CB 4.09Å; I280-A464 WeakPolarHBondContact CG2-O 3.48Å; I280-H467 HydrophobicContact CG2-CB 3.6Å; I280-M468 HydrophobicContact CB-CE 4.15Å; I280-M468 HydrophobicContact CB-CG 4.23Å; I280-M468 HydrophobicContact CD1-CG 3.89Å; I280-M468 HydrophobicContact CG2-CE 4.21Å; I280-M468 HydrophobicContact CG2-CG 4Å
281	G	92.2	Very high	90	Very high	26 Å²	26	57 Å²	57	27%	0.268	30%	0.299	S	S	.	.	S	Bend	trans	74.1	-140.7	177.7	0	0	0	0	0	115	I279 S283 K286	I279-G281 PolarHBondContact O-N 2.92Å; G281-S283 VanDerWaalsContact C-N 3.29Å; G281-S283 PolarHBondContact O-N 3.06Å; G281-K286 WeakPolarHBondContact O-CE 3.34Å; G281-K286 PolarHBondContact O-NZ 3.46Å
282	L	92.7	Very high	91.1	Very high	29 Å²	29	54.3 Å²	54.3	15%	0.152	28%	0.284	C	S	.	.			trans	54.1	32.8	176.9	-62.4	176.2	0	0	0	115.6	I279 S284 A285 K286 V457	I279-L282 HydrophobicContact CG2-CD1 3.97Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 2.82Å; L282-A285 HydrophobicContact CB-CB 4.45Å; L282-A285 PolarHBondContact O-N 3.05Å; L282-K286 WeakPolarHBondContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 2.78Å; L282-V457 HydrophobicContact CD1-CG1 3.76Å; L282-V457 HydrophobicContact CD2-CG1 3.81Å; L282-V457 HydrophobicContact CG-CG1 4.45Å
283	S	92.7	Very high	91.9	Very high	96 Å²	96	53.4 Å²	53.4	67%	0.671	28%	0.278	S	S	*	.	H	α-helix	trans	-54.6	-42.1	-175.1	55.1	0	0	0	0	114.1	G281 R287	G281-S283 VanDerWaalsContact C-N 3.29Å; G281-S283 PolarHBondContact O-N 3.06Å; S283-R287 WeakPolarHBondContact O-CB 3.24Å; S283-R287 PolarHBondContact O-N 2.83Å
284	S	92.4	Very high	92.3	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-53.3	175.5	51.9	0	0	0	0	112.4	L282 R287 L288	L282-S284 VanDerWaalsContact C-N 3.33Å; L282-S284 PolarHBondContact O-N 2.82Å; S284-R287 PolarHBondContact O-N 2.87Å; S284-L288 WeakPolarHBondContact O-CG 3.35Å; S284-L288 PolarHBondContact O-N 2.97Å
285	A	93.9	Very high	92.5	Very high	1 Å²	1	52 Å²	52	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-42.5	179.3	0	0	0	0	0	111.9	L282 R287 L288 V289 L326 I455	L282-A285 HydrophobicContact CB-CB 4.45Å; L282-A285 PolarHBondContact O-N 3.05Å; A285-R287 VanDerWaalsContact C-N 3.3Å; A285-R287 PolarHBondContact O-N 3.3Å; A285-L288 PolarHBondContact O-N 2.96Å; A285-V289 WeakPolarHBondContact O-CB 3.44Å; A285-V289 VanDerWaalsContact O-CG2 3.27Å; A285-V289 WeakPolarHBondContact O-CG2 3.23Å; A285-V289 PolarHBondContact O-N 3.44Å; A285-L326 HydrophobicContact CB-CD2 4.19Å; A285-I455 HydrophobicContact CB-CG2 3.75Å
286	K	94.5	Very high	92.4	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.148	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-42.4	172.5	-73.5	-179	-173.9	-177	0	111.7	W276 I279 G281 L282 K290 L326	W276-K286 HydrophobicContact CE3-CB 4.49Å; W276-K286 HydrophobicContact CE3-CD 4.4Å; W276-K286 HydrophobicContact CE3-CG 4.02Å; W276-K286 HydrophobicContact CZ3-CG 4.31Å; W276-K286 WeakPolarHBondContact O-CE 3.45Å; W276-K286 PolarHBondContact O-NZ 3.34Å; I279-K286 WeakPolarHBondContact O-CE 3.26Å; I279-K286 PolarHBondContact O-NZ 3.44Å; G281-K286 WeakPolarHBondContact O-CE 3.34Å; G281-K286 PolarHBondContact O-NZ 3.46Å; L282-K286 WeakPolarHBondContact O-CB 3.27Å; L282-K286 WeakPolarHBondContact O-CG 3.43Å; L282-K286 PolarHBondContact O-N 2.78Å; K286-K290 WeakPolarHBondContact O-CB 3.18Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.45Å; K286-K290 PolarHBondContact O-N 3.31Å; K286-L326 HydrophobicContact CG-CD1 3.92Å
287	R	94.5	Very high	92.1	Very high	144 Å²	144	50.6 Å²	50.6	54%	0.543	27%	0.267	S	S	.	.	H	α-helix	trans	-66	-51.7	179	-159.4	-170.5	70.8	-141.5	-3.4	111.4	S283 S284 A285 V289 K290 E291	S283-R287 WeakPolarHBondContact O-CB 3.24Å; S283-R287 PolarHBondContact O-N 2.83Å; S284-R287 PolarHBondContact O-N 2.87Å; A285-R287 VanDerWaalsContact C-N 3.3Å; A285-R287 PolarHBondContact O-N 3.3Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 2.89Å; R287-K290 WeakPolarHBondContact O-CB 3.33Å; R287-K290 PolarHBondContact O-N 3.44Å; R287-K290 VanDerWaalsContact O-N 3.09Å; R287-E291 WeakPolarHBondContact CD-OE1 3.48Å; R287-E291 VanDerWaalsContact CG-OE1 3.29Å; R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact CZ-OE1 2.66Å; R287-E291 IonicContact NE-OE1 3.14Å; R287-E291 PolarHBondContact NE-OE1 2.89Å; R287-E291 WeakPolarHBondContact O-CG 3.49Å; R287-E291 PolarHBondContact O-N 3.37Å
288	L	94.1	Very high	91.9	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.105	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-34.3	179.4	-67.3	176.1	0	0	0	112.8	S284 A285 A292 I455 S578	S284-L288 WeakPolarHBondContact O-CG 3.35Å; S284-L288 PolarHBondContact O-N 2.97Å; A285-L288 PolarHBondContact O-N 2.96Å; L288-A292 VanDerWaalsContact O-CB 3.26Å; L288-A292 WeakPolarHBondContact O-CB 3.41Å; L288-A292 PolarHBondContact O-N 2.97Å; L288-I455 HydrophobicContact CB-CD1 3.51Å; L288-I455 HydrophobicContact CB-CG1 4.02Å; L288-I455 HydrophobicContact CD1-CG1 4.3Å; L288-I455 HydrophobicContact CD1-CG2 4.34Å; L288-S578 VanDerWaalsContact CD2-OXT 3.25Å; L288-S578 WeakPolarHBondContact CD2-OXT 3.25Å
289	V	93.6	Very high	91.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-73.5	-37.9	173.8	172.5	0	0	0	0	111.9	W276 A285 R287 A292 V293 L315 L326 V330 I455	W276-V289 HydrophobicContact CH2-CG1 3.85Å; A285-V289 WeakPolarHBondContact O-CB 3.44Å; A285-V289 VanDerWaalsContact O-CG2 3.27Å; A285-V289 WeakPolarHBondContact O-CG2 3.23Å; A285-V289 PolarHBondContact O-N 3.44Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 2.89Å; V289-A292 PolarHBondContact O-N 3.17Å; V289-V293 HydrophobicContact CG1-CG2 4.36Å; V289-V293 PolarHBondContact O-N 3.31Å; V289-L315 HydrophobicContact CG2-CD2 4.07Å; V289-L326 HydrophobicContact CG2-CD2 3.99Å; V289-V330 HydrophobicContact CG1-CG2 3.22Å; V289-I455 HydrophobicContact CB-CD1 4.47Å; V289-I455 HydrophobicContact CG2-CD1 3.53Å
290	K	93.2	Very high	91.5	Very high	59 Å²	59	51.3 Å²	51.3	26%	0.257	27%	0.266	S	S	.	.	I	π-helix	trans	-62.7	-44.7	173	-78.3	174.8	177.8	-172.5	0	111.6	W276 K286 R287 A292 V294 Y295	W276-K290 VanDerWaalsContact CG-CE 3.43Å; W276-K290 HydrophobicContact CZ2-CG 4Å; K286-K290 WeakPolarHBondContact O-CB 3.18Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.45Å; K286-K290 PolarHBondContact O-N 3.31Å; R287-K290 WeakPolarHBondContact O-CB 3.33Å; R287-K290 PolarHBondContact O-N 3.44Å; R287-K290 VanDerWaalsContact O-N 3.09Å; K290-A292 VanDerWaalsContact C-N 3.29Å; K290-A292 PolarHBondContact O-N 3Å; K290-V294 HydrophobicContact CB-CB 4.4Å; K290-V294 HydrophobicContact CB-CG2 4.41Å; K290-V294 HydrophobicContact CG-CB 4.42Å; K290-V294 HydrophobicContact CG-CG2 4.05Å; K290-V294 WeakPolarHBondContact O-CB 3.43Å; K290-V294 PolarHBondContact O-N 3.44Å; K290-Y295 HydrophobicContact CB-CE1 4.14Å; K290-Y295 PolarHBondContact O-N 3.1Å
291	E	92.2	Very high	91.3	Very high	58 Å²	58	54.1 Å²	54.1	27%	0.271	28%	0.278	S	S	.	.	I	π-helix	trans	-57.9	-40.3	172.6	-69.8	164.6	-160.1	0	0	111.9	R287 Y295	R287-E291 WeakPolarHBondContact CD-OE1 3.48Å; R287-E291 VanDerWaalsContact CG-OE1 3.29Å; R287-E291 WeakPolarHBondContact CG-OE1 3.39Å; R287-E291 IonicContact CZ-OE1 2.66Å; R287-E291 IonicContact NE-OE1 3.14Å; R287-E291 PolarHBondContact NE-OE1 2.89Å; R287-E291 WeakPolarHBondContact O-CG 3.49Å; R287-E291 PolarHBondContact O-N 3.37Å; E291-Y295 HydrophobicContact CB-CD2 4.35Å; E291-Y295 HydrophobicContact CG-CD2 4.09Å; E291-Y295 HydrophobicContact CG-CE2 3.89Å
292	A	90.7	Very high	91.2	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	29%	0.286	C	S	.	.	I	π-helix	trans	-78	-34.3	-176.4	0	0	0	0	0	115.9	L288 V289 K290 W310 L313 K453	L288-A292 VanDerWaalsContact O-CB 3.26Å; L288-A292 WeakPolarHBondContact O-CB 3.41Å; L288-A292 PolarHBondContact O-N 2.97Å; V289-A292 PolarHBondContact O-N 3.17Å; K290-A292 VanDerWaalsContact C-N 3.29Å; K290-A292 PolarHBondContact O-N 3Å; A292-W310 HydrophobicContact CB-CE3 3.51Å; A292-W310 HydrophobicContact CB-CZ3 3.7Å; A292-L313 HydrophobicContact CB-CD1 3.5Å; A292-K453 HydrophobicContact CB-CG 4.38Å
293	V	89.6	Confident	90.9	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.291	C	S	.	.	I	π-helix	trans	-127.7	-39.4	-167.1	-158.5	0	0	0	0	113.2	V289 I297 V330 F432	V289-V293 HydrophobicContact CG1-CG2 4.36Å; V289-V293 PolarHBondContact O-N 3.31Å; V293-I297 WeakPolarHBondContact O-CD1 3.47Å; V293-I297 WeakPolarHBondContact O-CG1 3.29Å; V293-V330 HydrophobicContact CB-CG1 4.22Å; V293-V330 HydrophobicContact CG1-CG1 3.83Å; V293-V330 HydrophobicContact CG2-CG1 4.43Å; V293-F432 HydrophobicContact CB-CE1 4.35Å; V293-F432 HydrophobicContact CB-CZ 4.44Å; V293-F432 HydrophobicContact CG1-CD1 3.77Å; V293-F432 HydrophobicContact CG1-CE1 3.88Å; V293-F432 HydrophobicContact CG1-CG 4.1Å; V293-F432 HydrophobicContact CG1-CZ 4.3Å; V293-F432 HydrophobicContact CG2-CD1 4.2Å; V293-F432 HydrophobicContact CG2-CE1 3.46Å; V293-F432 VanDerWaalsContact CG2-CE1 3.46Å; V293-F432 HydrophobicContact CG2-CE2 3.94Å; V293-F432 HydrophobicContact CG2-CZ 3.3Å
294	V	90	Very high	90.5	Very high	27 Å²	27	57 Å²	57	16%	0.164	29%	0.286	C	S	.	.	I	π-helix	trans	-81.7	-44.3	-174.9	-175.6	0	0	0	0	111	W276 K290 I297 K298	W276-V294 HydrophobicContact CZ2-CG2 3.93Å; K290-V294 HydrophobicContact CB-CB 4.4Å; K290-V294 HydrophobicContact CB-CG2 4.41Å; K290-V294 HydrophobicContact CG-CB 4.42Å; K290-V294 HydrophobicContact CG-CG2 4.05Å; K290-V294 WeakPolarHBondContact O-CB 3.43Å; K290-V294 PolarHBondContact O-N 3.44Å; V294-I297 PolarHBondContact O-N 2.93Å; V294-K298 WeakPolarHBondContact O-CB 3.38Å; V294-K298 PolarHBondContact O-N 3.06Å
295	Y	91.4	Very high	90.1	Very high	91 Å²	91	56.7 Å²	56.7	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-68.5	-36.1	-176.8	-63.4	-11.9	0	0	0	114.3	K290 E291 I297 K298 Y299 F303	K290-Y295 HydrophobicContact CB-CE1 4.14Å; K290-Y295 PolarHBondContact O-N 3.1Å; E291-Y295 HydrophobicContact CB-CD2 4.35Å; E291-Y295 HydrophobicContact CG-CD2 4.09Å; E291-Y295 HydrophobicContact CG-CE2 3.89Å; Y295-I297 VanDerWaalsContact C-N 3.31Å; Y295-I297 PolarHBondContact O-N 3.41Å; Y295-K298 PolarHBondContact O-N 2.88Å; Y295-Y299 PolarHBondContact O-N 3.09Å; Y295-F303 WeakPolarHBondContact O-CE2 3.49Å
296	P	89.3	Confident	89.8	Confident	14 Å²	14	64.9 Å²	64.9	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-34.8	172.2	-20.2	29.5	0	0	0	114	P300 F303 P309	P296-P300 WeakPolarHBondContact O-CA 3.16Å; P296-F303 HydrophobicContact CB-CB 4.36Å; P296-F303 HydrophobicContact CB-CD1 4Å; P296-F303 HydrophobicContact CB-CD2 4.14Å; P296-F303 HydrophobicContact CB-CE1 4.34Å; P296-F303 HydrophobicContact CB-CE2 4.45Å; P296-F303 HydrophobicContact CB-CG 3.9Å; P296-F303 HydrophobicContact CG-CD1 3.74Å; P296-F303 HydrophobicContact CG-CD2 4.43Å; P296-F303 HydrophobicContact CG-CE1 3.67Å; P296-F303 HydrophobicContact CG-CE2 4.35Å; P296-F303 HydrophobicContact CG-CG 4.14Å; P296-F303 HydrophobicContact CG-CZ 3.98Å; P296-P309 HydrophobicContact CB-CB 3.73Å; P296-P309 HydrophobicContact CB-CG 4.36Å; P296-P309 HydrophobicContact CG-CB 3.92Å
297	I	86.8	Confident	89.4	Confident	89 Å²	89	68.2 Å²	68.2	46%	0.456	36%	0.356	S	S	.	.	H	α-helix	trans	-74.4	-37.5	177.2	-63.2	173.7	0	0	0	110.7	V293 V294 Y295 C334 T336	V293-I297 WeakPolarHBondContact O-CD1 3.47Å; V293-I297 WeakPolarHBondContact O-CG1 3.29Å; V294-I297 PolarHBondContact O-N 2.93Å; Y295-I297 VanDerWaalsContact C-N 3.31Å; Y295-I297 PolarHBondContact O-N 3.41Å; I297-C334 HydrophobicContact CD1-CB 3.89Å; I297-T336 HydrophobicContact CD1-CG2 4.29Å
298	K	87.4	Confident	89.1	Confident	124 Å²	124	64.8 Å²	64.8	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-79.3	-34.1	-179	-167.2	179.8	178.6	-158.3	0	113.8	V294 Y295 P300	V294-K298 WeakPolarHBondContact O-CB 3.38Å; V294-K298 PolarHBondContact O-N 3.06Å; Y295-K298 PolarHBondContact O-N 2.88Å; K298-P300 VanDerWaalsContact C-CD 3.46Å
299	Y	90.3	Very high	88.9	Confident	60 Å²	60	66.2 Å²	66.2	24%	0.235	36%	0.364	C	S	.	.			trans	-131	52.9	-172.5	-58	-63.6	0	0	0	112.4	Y295 Q301 L302 F303	Y295-Y299 PolarHBondContact O-N 3.09Å; Y299-Q301 PolarHBondContact O-N 3.43Å; Y299-L302 HydrophobicContact CG-CD1 4.43Å; Y299-L302 WeakPolarHBondContact O-CB 3.29Å; Y299-L302 PolarHBondContact O-N 3.26Å; Y299-F303 WeakPolarHBondContact O-CD2 3.43Å
300	P	86.9	Confident	88.7	Confident	81 Å²	81	70.6 Å²	70.6	53%	0.526	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-56.2	-27.1	-171.5	24.1	-35.6	0	0	0	114	P296 K298 L302 F303	P296-P300 WeakPolarHBondContact O-CA 3.16Å; K298-P300 VanDerWaalsContact C-CD 3.46Å; P300-L302 PolarHBondContact O-N 2.98Å; P300-L302 VanDerWaalsContact O-N 3.12Å; P300-F303 PolarHBondContact O-N 3.05Å
301	Q	89.4	Confident	88.7	Confident	102 Å²	102	69.8 Å²	69.8	48%	0.477	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-60.9	-16.2	174.7	71.7	-81.6	18.6	0	0	114.7	Y299	Y299-Q301 PolarHBondContact O-N 3.43Å
302	L	90.1	Very high	88.7	Confident	84 Å²	84	67 Å²	67	44%	0.44	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-92.4	-18	175.8	-56.5	-179.7	0	0	0	113.1	Y299 P300 A304 L307	Y299-L302 HydrophobicContact CG-CD1 4.43Å; Y299-L302 WeakPolarHBondContact O-CB 3.29Å; Y299-L302 PolarHBondContact O-N 3.26Å; P300-L302 PolarHBondContact O-N 2.98Å; P300-L302 VanDerWaalsContact O-N 3.12Å; L302-A304 PolarHBondContact O-N 2.9Å; L302-L307 WeakPolarHBondContact O-CD1 3.5Å
303	F	86.8	Confident	88.9	Confident	57 Å²	57	67 Å²	67	25%	0.25	36%	0.364	C	S	.	.			trans	-107.9	60.5	-166.8	-70	-94	0	0	0	112	Y295 P296 Y299 P300 L307	Y295-F303 WeakPolarHBondContact O-CE2 3.49Å; P296-F303 HydrophobicContact CB-CB 4.36Å; P296-F303 HydrophobicContact CB-CD1 4Å; P296-F303 HydrophobicContact CB-CD2 4.14Å; P296-F303 HydrophobicContact CB-CE1 4.34Å; P296-F303 HydrophobicContact CB-CE2 4.45Å; P296-F303 HydrophobicContact CB-CG 3.9Å; P296-F303 HydrophobicContact CG-CD1 3.74Å; P296-F303 HydrophobicContact CG-CD2 4.43Å; P296-F303 HydrophobicContact CG-CE1 3.67Å; P296-F303 HydrophobicContact CG-CE2 4.35Å; P296-F303 HydrophobicContact CG-CG 4.14Å; P296-F303 HydrophobicContact CG-CZ 3.98Å; Y299-F303 WeakPolarHBondContact O-CD2 3.43Å; P300-F303 PolarHBondContact O-N 3.05Å; F303-L307 CarbonylContact C-O 3.27Å; F303-L307 VanDerWaalsContact C-O 3.27Å; F303-L307 WeakPolarHBondContact CA-O 3.34Å; F303-L307 VanDerWaalsContact CB-O 3.23Å; F303-L307 WeakPolarHBondContact CB-O 3.42Å; F303-L307 VanDerWaalsContact CD1-O 3.26Å; F303-L307 WeakPolarHBondContact CD1-O 3.42Å
304	A	82.5	Confident	89.2	Confident	70 Å²	70	66.6 Å²	66.6	58%	0.579	36%	0.362	S	S	*	.			trans	-120.2	154.5	-177.3	0	0	0	0	0	112.8	L302 I306 L307	L302-A304 PolarHBondContact O-N 2.9Å; A304-I306 PolarHBondContact O-N 3.33Å; A304-L307 WeakPolarHBondContact O-CB 3.45Å; A304-L307 PolarHBondContact O-N 3.42Å
305	G	85.5	Confident	89.5	Confident	67 Å²	67	65.4 Å²	65.4	69%	0.691	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	61.2	-125.2	-178.8	0	0	0	0	0	111.6	L307 S308	G305-L307 PolarHBondContact O-N 2.96Å; G305-L307 VanDerWaalsContact O-N 3.17Å; G305-S308 WeakPolarHBondContact O-CB 3.23Å; G305-S308 PolarHBondContact O-N 2.89Å; G305-S308 VanDerWaalsContact O-N 3.1Å; G305-S308 PolarHBondContact O-OG 2.82Å
306	I	86.6	Confident	89.7	Confident	173 Å²	173	61 Å²	61	89%	0.887	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.3	-11.9	176.6	66.8	171.6	0	0	0	113.8	A304 S308	A304-I306 PolarHBondContact O-N 3.33Å; I306-S308 VanDerWaalsContact C-N 3.35Å
307	L	87.4	Confident	90	Very high	104 Å²	104	60.4 Å²	60.4	55%	0.545	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-95.4	15.6	174.8	-56.2	180	0	0	0	112.2	L302 F303 A304 G305	L302-L307 WeakPolarHBondContact O-CD1 3.5Å; F303-L307 CarbonylContact C-O 3.27Å; F303-L307 VanDerWaalsContact C-O 3.27Å; F303-L307 WeakPolarHBondContact CA-O 3.34Å; F303-L307 VanDerWaalsContact CB-O 3.23Å; F303-L307 WeakPolarHBondContact CB-O 3.42Å; F303-L307 VanDerWaalsContact CD1-O 3.26Å; F303-L307 WeakPolarHBondContact CD1-O 3.42Å; A304-L307 WeakPolarHBondContact O-CB 3.45Å; A304-L307 PolarHBondContact O-N 3.42Å; G305-L307 PolarHBondContact O-N 2.96Å; G305-L307 VanDerWaalsContact O-N 3.17Å
308	S	86.8	Confident	90.3	Very high	72 Å²	72	56.1 Å²	56.1	50%	0.503	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-52.3	140	170.4	57.2	0	0	0	0	111.3	G305 I306 W310	G305-S308 WeakPolarHBondContact O-CB 3.23Å; G305-S308 PolarHBondContact O-N 2.89Å; G305-S308 VanDerWaalsContact O-N 3.1Å; G305-S308 PolarHBondContact O-OG 2.82Å; I306-S308 VanDerWaalsContact C-N 3.35Å; S308-W310 PolarHBondContact O-N 2.99Å
309	P	89.6	Confident	90.6	Very high	49 Å²	49	52.7 Å²	52.7	32%	0.318	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60	136.8	-178.9	22.6	-32.3	0	0	0	112.7	P296 K311	P296-P309 HydrophobicContact CB-CB 3.73Å; P296-P309 HydrophobicContact CB-CG 4.36Å; P296-P309 HydrophobicContact CG-CB 3.92Å; P309-K311 PolarHBondContact O-N 3.35Å
310	W	90.6	Very high	90.7	Very high	92 Å²	92	51.1 Å²	51.1	35%	0.348	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-58	129.5	172.4	-60.8	-55.4	0	0	0	110.4	A292 S308 F432 E452 K453	A292-W310 HydrophobicContact CB-CE3 3.51Å; A292-W310 HydrophobicContact CB-CZ3 3.7Å; S308-W310 PolarHBondContact O-N 2.99Å; W310-F432 VanDerWaalsContact O-CD2 3.31Å; W310-F432 WeakPolarHBondContact O-CD2 3.42Å; W310-F432 WeakPolarHBondContact O-CE2 3.44Å; W310-E452 VanDerWaalsContact CA-OE2 3.29Å; W310-E452 WeakPolarHBondContact CA-OE2 3.36Å; W310-E452 HydrophobicContact CG-CB 4.4Å; W310-K453 HydrophobicContact CD2-CB 4.04Å; W310-K453 HydrophobicContact CD2-CD 4.33Å; W310-K453 HydrophobicContact CD2-CG 4.47Å; W310-K453 HydrophobicContact CE3-CB 3.97Å; W310-K453 HydrophobicContact CE3-CD 3.96Å; W310-K453 HydrophobicContact CE3-CG 3.99Å; W310-K453 HydrophobicContact CG-CB 4.33Å; W310-K453 HydrophobicContact CH2-CD 3.79Å; W310-K453 HydrophobicContact CZ2-CD 4.14Å; W310-K453 HydrophobicContact CZ3-CD 3.68Å; W310-K453 HydrophobicContact CZ3-CG 4.1Å
311	K	91.8	Very high	91	Very high	42 Å²	42	47.9 Å²	47.9	18%	0.183	28%	0.282	C	S	.	.	S	Bend	trans	-87.2	-19.5	-177.9	-64.6	-74.3	-177.1	133.7	0	112.6	P309 L424 S427 D429 L433 E452	P309-K311 PolarHBondContact O-N 3.35Å; K311-L424 PolarHBondContact NZ-O 2.92Å; K311-S427 PolarHBondContact NZ-O 2.93Å; K311-D429 PolarHBondContact NZ-O 3.26Å; K311-L433 PolarHBondContact O-N 3.47Å; K311-E452 PolarHBondContact N-OE2 3.29Å; K311-E452 VanDerWaalsContact N-OE2 3.14Å
312	G	93.9	Very high	91.2	Very high	1 Å²	1	44 Å²	44	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129	-177.4	0	0	0	0	0	113.3	L433 E452 K453	G312-L433 WeakPolarHBondContact CA-O 3.32Å; G312-E452 PolarHBondContact O-N 2.61Å; G312-K453 PolarHBondContact O-N 3.22Å
313	L	95	Very high	91.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.1	178.9	-168.2	151.5	0	0	0	111.8	A292 L315 F432 L433 L434 A435 K453 I455	A292-L313 HydrophobicContact CB-CD1 3.5Å; L313-L315 HydrophobicContact CD2-CD2 3.63Å; L313-L315 HydrophobicContact CD2-CG 4Å; L313-F432 HydrophobicContact CB-CE1 4.48Å; L313-F432 HydrophobicContact CB-CE2 4.04Å; L313-F432 HydrophobicContact CB-CZ 3.49Å; L313-F432 VanDerWaalsContact CB-CZ 3.49Å; L313-F432 HydrophobicContact CD1-CZ 4.12Å; L313-F432 HydrophobicContact CG-CZ 4.41Å; L313-L433 PolarHBondContact N-O 3.36Å; L313-L434 HydrophobicContact CB-CD1 3.99Å; L313-L434 HydrophobicContact CD2-CD1 3.42Å; L313-L434 VanDerWaalsContact CD2-CD1 3.42Å; L313-L434 HydrophobicContact CG-CD1 4.22Å; L313-A435 PolarHBondContact O-N 3.27Å; L313-K453 CarbonylContact C-O 3.56Å; L313-K453 VanDerWaalsContact CA-O 3.31Å; L313-K453 WeakPolarHBondContact CA-O 3.48Å; L313-K453 HydrophobicContact CB-CB 4.45Å; L313-K453 HydrophobicContact CD1-CB 3.93Å; L313-K453 HydrophobicContact CD1-CG 3.85Å; L313-K453 HydrophobicContact CG-CB 3.95Å; L313-K453 HydrophobicContact CG-CG 4.22Å; L313-I455 HydrophobicContact CD1-CD1 3.85Å; L313-I455 HydrophobicContact CD2-CD1 4.07Å; L313-I455 HydrophobicContact CD2-CG1 4.47Å; L313-I455 HydrophobicContact CG-CD1 4.33Å
314	L	96	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.8	173.4	-179.4	62.1	0	0	0	111.6	Y316 A435 L443 L448 L451 K453 R454 I455 W571	L314-Y316 HydrophobicContact CD2-CD1 4.44Å; L314-Y316 HydrophobicContact CG-CD1 4.36Å; L314-A435 HydrophobicContact CD1-CB 3.87Å; L314-L443 HydrophobicContact CD1-CD1 4.15Å; L314-L443 HydrophobicContact CD2-CD1 3.73Å; L314-L448 HydrophobicContact CD2-CD2 3.92Å; L314-L451 HydrophobicContact CB-CB 4.06Å; L314-L451 HydrophobicContact CB-CD1 4.11Å; L314-L451 HydrophobicContact CD1-CD1 4.27Å; L314-K453 PolarHBondContact N-O 2.96Å; L314-R454 HydrophobicContact CB-CG 4.25Å; L314-R454 WeakPolarHBondContact O-CA 3.43Å; L314-I455 PolarHBondContact O-N 3.17Å; L314-W571 HydrophobicContact CD2-CH2 4.01Å
315	L	96.4	Very high	92.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.6	160.3	-58.7	179.8	0	0	0	108.6	V289 L313 K323 L326 L434 A435 A436 S437 I455 V457	V289-L315 HydrophobicContact CG2-CD2 4.07Å; L313-L315 HydrophobicContact CD2-CD2 3.63Å; L313-L315 HydrophobicContact CD2-CG 4Å; L315-K323 HydrophobicContact CB-CB 4.35Å; L315-K323 HydrophobicContact CB-CD 4.28Å; L315-K323 HydrophobicContact CB-CG 4.3Å; L315-K323 WeakPolarHBondContact CD1-O 3.4Å; L315-L326 HydrophobicContact CD1-CB 4.29Å; L315-L326 HydrophobicContact CD1-CD2 4.16Å; L315-L326 HydrophobicContact CD2-CD2 3.91Å; L315-L434 HydrophobicContact CD1-CD1 4.11Å; L315-L434 HydrophobicContact CD1-CD2 4.34Å; L315-L434 HydrophobicContact CD1-CG 4.39Å; L315-L434 HydrophobicContact CG-CD1 3.92Å; L315-A435 PolarHBondContact N-O 2.72Å; L315-A436 CarbonylContact O-C 3.6Å; L315-A436 VanDerWaalsContact O-CA 3.32Å; L315-A436 WeakPolarHBondContact O-CA 3.14Å; L315-S437 PolarHBondContact O-N 3.34Å; L315-I455 HydrophobicContact CD2-CB 4.19Å; L315-I455 HydrophobicContact CD2-CG2 4.46Å; L315-V457 HydrophobicContact CB-CG2 4.2Å; L315-V457 HydrophobicContact CD2-CG2 4.03Å
316	Y	95.4	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	167.6	176.3	69.1	-83.7	0	0	0	111	L314 P440 R454 I455 L456 V457 Y568 W571 Q572	L314-Y316 HydrophobicContact CD2-CD1 4.44Å; L314-Y316 HydrophobicContact CG-CD1 4.36Å; Y316-P440 HydrophobicContact CD2-CB 4.32Å; Y316-P440 HydrophobicContact CD2-CG 3.95Å; Y316-P440 HydrophobicContact CG-CB 4.22Å; Y316-P440 HydrophobicContact CG-CG 4.29Å; Y316-R454 HydrophobicContact CD1-CB 4.49Å; Y316-R454 HydrophobicContact CE1-CB 4.02Å; Y316-I455 VanDerWaalsContact CD1-O 3.3Å; Y316-I455 WeakPolarHBondContact CD1-O 3.47Å; Y316-I455 PolarHBondContact N-O 3.3Å; Y316-L456 HydrophobicContact CD2-CD1 3.91Å; Y316-L456 HydrophobicContact CE1-CB 4.38Å; Y316-L456 HydrophobicContact CE2-CB 3.88Å; Y316-L456 HydrophobicContact CE2-CD1 3.71Å; Y316-L456 HydrophobicContact CE2-CG 4.32Å; Y316-L456 CarbonylContact O-C 3.56Å; Y316-L456 WeakPolarHBondContact O-CA 3.43Å; Y316-V457 PolarHBondContact O-N 3.29Å; Y316-Y568 HydrophobicContact CD2-CD1 4.43Å; Y316-W571 HydrophobicContact CD1-CE3 4.43Å; Y316-W571 AromaticContact CD1-CZ3 3.78Å; Y316-W571 HydrophobicContact CD1-CZ3 3.78Å; Y316-W571 AromaticContact CD2-CE3 3.85Å; Y316-W571 HydrophobicContact CD2-CE3 3.85Å; Y316-W571 HydrophobicContact CD2-CZ3 4.01Å; Y316-W571 HydrophobicContact CE1-CE3 4.13Å; Y316-W571 AromaticContact CE1-CZ3 3.58Å; Y316-W571 HydrophobicContact CE1-CZ3 3.58Å; Y316-W571 AromaticContact CE2-CE3 3.48Å; Y316-W571 HydrophobicContact CE2-CE3 3.48Å; Y316-W571 VanDerWaalsContact CE2-CE3 3.48Å; Y316-W571 AromaticContact CE2-CZ3 3.81Å; Y316-W571 HydrophobicContact CE2-CZ3 3.81Å; Y316-W571 HydrophobicContact CG-CE3 4.3Å; Y316-W571 AromaticContact CG-CZ3 3.98Å; Y316-W571 HydrophobicContact CG-CZ3 3.98Å; Y316-W571 AromaticContact CZ-CE3 3.64Å; Y316-W571 AromaticContact CZ-CZ3 3.59Å; Y316-Q572 VanDerWaalsContact OH-CB 3.29Å; Y316-Q572 WeakPolarHBondContact OH-CB 3.5Å; Y316-Q572 VanDerWaalsContact OH-CG 3.31Å; Y316-Q572 WeakPolarHBondContact OH-CG 3.39Å
317	G	94.4	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	133.4	-176.2	-176.6	0	0	0	0	0	111.5	K323 Y568	G317-K323 PolarHBondContact O-NZ 3.32Å; G317-Y568 VanDerWaalsContact C-CE1 3.47Å; G317-Y568 VanDerWaalsContact C-CZ 3.44Å; G317-Y568 PolarHBondContact O-OH 3.3Å
318	P	94.4	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.			trans	-59.1	157.1	-175.6	-18.9	27.3	0	0	0	114.2	T321 K323 L459 A561 Y568	P318-T321 HydrophobicContact CB-CG2 3.89Å; P318-T321 HydrophobicContact CG-CG2 4.07Å; P318-T321 PolarHBondContact O-OG1 3.09Å; P318-T321 VanDerWaalsContact O-OG1 3.11Å; P318-K323 PolarHBondContact O-NZ 2.91Å; P318-L459 HydrophobicContact CB-CD2 4.24Å; P318-L459 HydrophobicContact CG-CD2 3.95Å; P318-L459 HydrophobicContact CG-CG 4.19Å; P318-A561 HydrophobicContact CB-CB 3.57Å; P318-A561 HydrophobicContact CG-CB 4.13Å; P318-Y568 HydrophobicContact CB-CE2 3.97Å; P318-Y568 HydrophobicContact CG-CD2 3.78Å; P318-Y568 HydrophobicContact CG-CE2 3.57Å
319	P	93.1	Very high	93.4	Very high	51 Å²	51	23.2 Å²	23.2	33%	0.331	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	154.1	165.3	28.7	-35	0	0	0	110.3	T321	P319-T321 VanDerWaalsContact C-N 3.26Å; P319-T321 PolarHBondContact O-N 3.41Å
320	G	92.4	Very high	93.4	Very high	27 Å²	27	20.9 Å²	20.9	28%	0.278	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	2.3	175.4	0	0	0	0	0	117	G322 G505 S506	G320-G322 VanDerWaalsContact C-N 3.34Å; G320-G505 WeakPolarHBondContact O-CA 3.32Å; G320-G505 PolarHBondContact O-N 2.78Å; G320-S506 WeakPolarHBondContact CA-OG 3.3Å; G320-S506 PolarHBondContact O-N 3.17Å
321	T	94.1	Very high	93.3	Very high	13 Å²	13	16.5 Å²	16.5	8%	0.08	10%	0.099	C	C	.	.	S	Bend	trans	-84.8	-0.2	176.7	61.7	0	0	0	0	114.7	P318 P319 V457 D458 L459	P318-T321 HydrophobicContact CB-CG2 3.89Å; P318-T321 HydrophobicContact CG-CG2 4.07Å; P318-T321 PolarHBondContact O-OG1 3.09Å; P318-T321 VanDerWaalsContact O-OG1 3.11Å; P319-T321 VanDerWaalsContact C-N 3.26Å; P319-T321 PolarHBondContact O-N 3.41Å; T321-V457 WeakPolarHBondContact CB-O 3.41Å; T321-V457 PolarHBondContact OG1-O 2.73Å; T321-D458 WeakPolarHBondContact CG2-O 3.17Å; T321-L459 HydrophobicContact CG2-CD2 3.99Å
322	G	93.4	Very high	93.1	Very high	20 Å²	20	15 Å²	15	21%	0.206	9%	0.094	C	C	.	.			trans	93.5	15.2	172.2	0	0	0	0	0	116.5	G320 T324 L325 L326	G320-G322 VanDerWaalsContact C-N 3.34Å; G322-T324 VanDerWaalsContact C-N 3.27Å; G322-T324 PolarHBondContact O-N 3.21Å; G322-L325 WeakPolarHBondContact O-CA 3.45Å; G322-L325 WeakPolarHBondContact O-CB 3.15Å; G322-L325 PolarHBondContact O-N 3.49Å; G322-L326 PolarHBondContact O-N 2.92Å
323	K	94.8	Very high	92.9	Very high	10 Å²	10	17.9 Å²	17.9	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-43.3	-49.9	174.4	-63.6	-171.8	-68.1	-90.3	0	113.3	L315 G317 P318 L325 L326 A327 A436 S437 N438 V457	L315-K323 HydrophobicContact CB-CB 4.35Å; L315-K323 HydrophobicContact CB-CD 4.28Å; L315-K323 HydrophobicContact CB-CG 4.3Å; L315-K323 WeakPolarHBondContact CD1-O 3.4Å; G317-K323 PolarHBondContact O-NZ 3.32Å; P318-K323 PolarHBondContact O-NZ 2.91Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.12Å; K323-L326 WeakPolarHBondContact O-CB 3.48Å; K323-L326 PolarHBondContact O-N 2.69Å; K323-A327 PolarHBondContact O-N 3.37Å; K323-A436 HydrophobicContact CB-CB 4.19Å; K323-A436 HydrophobicContact CD-CB 4.46Å; K323-S437 WeakPolarHBondContact CE-O 3.33Å; K323-S437 PolarHBondContact NZ-O 3.11Å; K323-N438 WeakPolarHBondContact CE-OD1 3.19Å; K323-N438 PolarHBondContact NZ-OD1 3.19Å; K323-V457 HydrophobicContact CG-CB 3.79Å; K323-V457 HydrophobicContact CG-CG1 4.06Å; K323-V457 HydrophobicContact CG-CG2 3.96Å
324	T	92.2	Very high	92.5	Very high	49 Å²	49	18.6 Å²	18.6	30%	0.301	11%	0.112	S	C	.	.	H	α-helix	trans	-67.7	-26.2	179.1	-42.6	0	0	0	0	113.9	G322 K328 F374 D376	G322-T324 VanDerWaalsContact C-N 3.27Å; G322-T324 PolarHBondContact O-N 3.21Å; T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 3.42Å; T324-F374 HydrophobicContact CG2-CE1 3.93Å; T324-F374 HydrophobicContact CG2-CZ 4.39Å; T324-D376 WeakPolarHBondContact CB-OD2 3.43Å; T324-D376 WeakPolarHBondContact CG2-OD2 3.21Å; T324-D376 PolarHBondContact OG1-OD2 3.34Å
325	L	93	Very high	92	Very high	76 Å²	76	25.8 Å²	25.8	40%	0.398	14%	0.143	S	C	.	.	H	α-helix	trans	-76.7	-42.7	172.2	-69.9	171.8	0	0	0	110.7	V274 I279 G322 K323 A327 K328 A329	V274-L325 HydrophobicContact CG2-CD2 4.36Å; I279-L325 HydrophobicContact CD1-CB 4.3Å; I279-L325 HydrophobicContact CG1-CB 4.32Å; G322-L325 WeakPolarHBondContact O-CA 3.45Å; G322-L325 WeakPolarHBondContact O-CB 3.15Å; G322-L325 PolarHBondContact O-N 3.49Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.12Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.27Å; L325-K328 PolarHBondContact O-N 3.37Å; L325-K328 VanDerWaalsContact O-N 3.09Å; L325-A329 PolarHBondContact O-N 3.41Å
326	L	94.6	Very high	91.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-40.9	175.1	-159.6	73.4	0	0	0	111.2	W276 I279 A285 K286 V289 L315 G322 K323 A329 V330 V457	W276-L326 HydrophobicContact CZ3-CD1 3.85Å; W276-L326 HydrophobicContact CZ3-CG 4.48Å; I279-L326 HydrophobicContact CD1-CB 4.4Å; I279-L326 HydrophobicContact CD1-CD1 3.98Å; A285-L326 HydrophobicContact CB-CD2 4.19Å; K286-L326 HydrophobicContact CG-CD1 3.92Å; V289-L326 HydrophobicContact CG2-CD2 3.99Å; L315-L326 HydrophobicContact CD1-CB 4.29Å; L315-L326 HydrophobicContact CD1-CD2 4.16Å; L315-L326 HydrophobicContact CD2-CD2 3.91Å; G322-L326 PolarHBondContact O-N 2.92Å; K323-L326 WeakPolarHBondContact O-CB 3.48Å; K323-L326 PolarHBondContact O-N 2.69Å; L326-A329 PolarHBondContact O-N 3.1Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.43Å; L326-V330 VanDerWaalsContact O-N 3.1Å; L326-V457 HydrophobicContact CD2-CG2 4.12Å
327	A	92.7	Very high	90.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-39.5	173.6	0	0	0	0	0	114	K323 L325 A331 F338 F374 L434	K323-A327 PolarHBondContact O-N 3.37Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.27Å; A327-A331 PolarHBondContact O-N 2.67Å; A327-F338 HydrophobicContact CB-CZ 4.49Å; A327-F374 HydrophobicContact CB-CD1 4.18Å; A327-F374 HydrophobicContact CB-CD2 3.47Å; A327-F374 VanDerWaalsContact CB-CD2 3.47Å; A327-F374 HydrophobicContact CB-CE1 4.11Å; A327-F374 HydrophobicContact CB-CE2 3.39Å; A327-F374 HydrophobicContact CB-CG 3.88Å; A327-F374 HydrophobicContact CB-CZ 3.73Å; A327-L434 HydrophobicContact CB-CD2 3.5Å; A327-L434 HydrophobicContact CB-CG 4.43Å
328	K	90.5	Very high	90.7	Very high	56 Å²	56	27.5 Å²	27.5	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-41	175.4	-74	172.8	179.1	-174.5	0	111.9	P272 V274 T324 L325 V330 A331 T332 F338	P272-K328 HydrophobicContact CB-CB 3.91Å; P272-K328 HydrophobicContact CB-CD 4.11Å; P272-K328 HydrophobicContact CB-CG 3.77Å; P272-K328 HydrophobicContact CG-CB 3.66Å; P272-K328 HydrophobicContact CG-CG 3.92Å; P272-K328 WeakPolarHBondContact CG-O 3.24Å; V274-K328 HydrophobicContact CB-CB 4.08Å; V274-K328 HydrophobicContact CG2-CB 4.06Å; V274-K328 HydrophobicContact CG2-CD 4.38Å; T324-K328 WeakPolarHBondContact O-CG 3.36Å; T324-K328 PolarHBondContact O-N 3.42Å; L325-K328 PolarHBondContact O-N 3.37Å; L325-K328 VanDerWaalsContact O-N 3.09Å; K328-V330 PolarHBondContact O-N 3.35Å; K328-A331 PolarHBondContact O-N 3.35Å; K328-T332 PolarHBondContact O-N 3.35Å; K328-T332 VanDerWaalsContact O-N 3.15Å; K328-F338 HydrophobicContact CG-CE1 3.94Å; K328-F338 HydrophobicContact CG-CZ 4.21Å
329	A	92.4	Very high	90.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-42.5	175.7	0	0	0	0	0	112.4	V274 W276 I279 L325 L326 A331 T332 E333	V274-A329 HydrophobicContact CG1-CB 4.31Å; V274-A329 WeakPolarHBondContact O-CA 3.42Å; W276-A329 HydrophobicContact CD2-CB 4.41Å; W276-A329 HydrophobicContact CE3-CB 3.97Å; W276-A329 HydrophobicContact CH2-CB 4.41Å; W276-A329 HydrophobicContact CZ3-CB 3.97Å; I279-A329 HydrophobicContact CD1-CB 3.63Å; L325-A329 PolarHBondContact O-N 3.41Å; L326-A329 PolarHBondContact O-N 3.1Å; A329-A331 VanDerWaalsContact C-N 3.29Å; A329-A331 PolarHBondContact O-N 3.07Å; A329-T332 PolarHBondContact O-N 3.46Å; A329-E333 WeakPolarHBondContact O-CB 3.32Å; A329-E333 WeakPolarHBondContact O-CG 3.41Å; A329-E333 PolarHBondContact O-N 3.49Å
330	V	91.2	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-51.4	-49.3	172.8	171.6	0	0	0	0	111.4	W276 V289 V293 L326 K328 E333 C334 L434	W276-V330 HydrophobicContact CH2-CG2 3.79Å; W276-V330 HydrophobicContact CZ2-CG2 4.45Å; V289-V330 HydrophobicContact CG1-CG2 3.22Å; V293-V330 HydrophobicContact CB-CG1 4.22Å; V293-V330 HydrophobicContact CG1-CG1 3.83Å; V293-V330 HydrophobicContact CG2-CG1 4.43Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.43Å; L326-V330 VanDerWaalsContact O-N 3.1Å; K328-V330 PolarHBondContact O-N 3.35Å; V330-E333 PolarHBondContact O-N 2.87Å; V330-C334 VanDerWaalsContact O-CB 3.25Å; V330-C334 WeakPolarHBondContact O-CB 3.47Å; V330-C334 PolarHBondContact O-N 3.03Å; V330-C334 PolarHBondContact O-SG 2.95Å; V330-C334 VanDerWaalsContact O-SG 3.35Å; V330-L434 HydrophobicContact CG2-CD2 4.47Å
331	A	88.5	Confident	90.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-44.6	-174.5	0	0	0	0	0	113.3	P272 A327 K328 A329 E333 K335 T336 F338	P272-A331 HydrophobicContact CG-CB 4.3Å; A327-A331 PolarHBondContact O-N 2.67Å; K328-A331 PolarHBondContact O-N 3.35Å; A329-A331 VanDerWaalsContact C-N 3.29Å; A329-A331 PolarHBondContact O-N 3.07Å; A331-E333 VanDerWaalsContact C-N 3.33Å; A331-E333 PolarHBondContact O-N 3.47Å; A331-K335 WeakPolarHBondContact O-CA 3.4Å; A331-K335 PolarHBondContact O-N 3.31Å; A331-T336 PolarHBondContact O-N 3.22Å; A331-F338 HydrophobicContact CB-CB 3.82Å; A331-F338 HydrophobicContact CB-CD1 4.43Å; A331-F338 HydrophobicContact CB-CD2 3.33Å; A331-F338 HydrophobicContact CB-CE2 3.89Å; A331-F338 HydrophobicContact CB-CG 3.63Å
332	T	87.6	Confident	89.8	Confident	12 Å²	12	27.2 Å²	27.2	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-37.7	176.1	-76.9	0	0	0	0	112.1	P272 N273 V274 R275 K328 A329	P272-T332 WeakPolarHBondContact CD-OG1 3.45Å; N273-T332 PolarHBondContact N-OG1 2.89Å; V274-T332 WeakPolarHBondContact O-CB 3.43Å; V274-T332 VanDerWaalsContact O-CG2 3.31Å; V274-T332 WeakPolarHBondContact O-CG2 3.43Å; R275-T332 HydrophobicContact CG-CG2 4.41Å; K328-T332 PolarHBondContact O-N 3.35Å; K328-T332 VanDerWaalsContact O-N 3.15Å; A329-T332 PolarHBondContact O-N 3.46Å
333	E	89.1	Confident	89.2	Confident	60 Å²	60	26.3 Å²	26.3	28%	0.28	14%	0.135	S	C	.	.	H	α-helix	trans	-84.6	-34	-173.8	-65.8	-81.3	145.9	0	0	112.4	R275 W276 A329 V330 A331 K335	R275-E333 IonicContact NH1-OE1 2.74Å; R275-E333 PolarHBondContact NH1-OE1 3.5Å; W276-E333 VanDerWaalsContact CD1-CG 3.48Å; W276-E333 HydrophobicContact CD2-CG 4.34Å; W276-E333 HydrophobicContact CG-CG 4.14Å; W276-E333 HydrophobicContact CZ2-CB 4.25Å; W276-E333 HydrophobicContact CZ2-CG 4.46Å; W276-E333 PolarHBondContact NE1-OE2 2.87Å; A329-E333 WeakPolarHBondContact O-CB 3.32Å; A329-E333 WeakPolarHBondContact O-CG 3.41Å; A329-E333 PolarHBondContact O-N 3.49Å; V330-E333 PolarHBondContact O-N 2.87Å; A331-E333 VanDerWaalsContact C-N 3.33Å; A331-E333 PolarHBondContact O-N 3.47Å; E333-K335 VanDerWaalsContact C-N 3.28Å
334	C	85.9	Confident	88.6	Confident	16 Å²	16	28 Å²	28	11%	0.108	15%	0.148	C	C	.	.	H	α-helix	trans	-79.1	-8	169.4	-64	0	0	0	0	113.4	I297 V330 T336	I297-C334 HydrophobicContact CD1-CB 3.89Å; V330-C334 VanDerWaalsContact O-CB 3.25Å; V330-C334 WeakPolarHBondContact O-CB 3.47Å; V330-C334 PolarHBondContact O-N 3.03Å; V330-C334 PolarHBondContact O-SG 2.95Å; V330-C334 VanDerWaalsContact O-SG 3.35Å; C334-T336 HydrophobicContact CB-CG2 3.79Å; C334-T336 PolarHBondContact O-N 3.1Å
335	K	85.1	Confident	88	Confident	151 Å²	151	28 Å²	28	66%	0.657	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	33.6	-174.5	-55.9	-176.7	-179	-178.2	0	114	A331 E333	A331-K335 WeakPolarHBondContact O-CA 3.4Å; A331-K335 PolarHBondContact O-N 3.31Å; E333-K335 VanDerWaalsContact C-N 3.28Å
336	T	84.1	Confident	87.4	Confident	6 Å²	6	24.6 Å²	24.6	4%	0.037	13%	0.13	C	C	.	.			trans	-91.1	153.6	-179.4	58.9	0	0	0	0	111.9	I297 A331 C334 F338 P370 T372	I297-T336 HydrophobicContact CD1-CG2 4.29Å; A331-T336 PolarHBondContact O-N 3.22Å; C334-T336 HydrophobicContact CB-CG2 3.79Å; C334-T336 PolarHBondContact O-N 3.1Å; T336-F338 PolarHBondContact O-N 3.5Å; T336-P370 WeakPolarHBondContact CA-O 3.44Å; T336-P370 WeakPolarHBondContact CB-O 3.22Å; T336-P370 HydrophobicContact CG2-CB 4.04Å; T336-P370 HydrophobicContact CG2-CG 4.38Å; T336-T372 PolarHBondContact OG1-OG1 3.35Å
337	T	85.9	Confident	86.5	Confident	31 Å²	31	26.3 Å²	26.3	19%	0.19	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	130	169	48.5	0	0	0	0	110.4	F268 H368 P370 S371 T372	F268-T337 HydrophobicContact CE2-CG2 4.09Å; T337-H368 HydrophobicContact CG2-CB 4.28Å; T337-H368 PolarHBondContact OG1-O 3.24Å; T337-P370 PolarHBondContact N-O 3.39Å; T337-P370 VanDerWaalsContact N-O 3.12Å; T337-P370 PolarHBondContact OG1-O 3.09Å; T337-S371 WeakPolarHBondContact O-CA 3.44Å; T337-S371 WeakPolarHBondContact OG1-CB 3.31Å; T337-S371 PolarHBondContact OG1-OG 3.5Å; T337-T372 PolarHBondContact O-N 3.35Å
338	F	89.9	Confident	85.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.1	-173.9	-166.5	-127.1	0	0	0	111.3	L269 P272 A327 K328 A331 T336 N340 T372 F374	L269-F338 HydrophobicContact CB-CD1 4.4Å; L269-F338 HydrophobicContact CD1-CD1 4.47Å; L269-F338 PolarHBondContact N-O 2.76Å; P272-F338 HydrophobicContact CG-CD1 4.21Å; P272-F338 HydrophobicContact CG-CE1 4.45Å; A327-F338 HydrophobicContact CB-CZ 4.49Å; K328-F338 HydrophobicContact CG-CE1 3.94Å; K328-F338 HydrophobicContact CG-CZ 4.21Å; A331-F338 HydrophobicContact CB-CB 3.82Å; A331-F338 HydrophobicContact CB-CD1 4.43Å; A331-F338 HydrophobicContact CB-CD2 3.33Å; A331-F338 HydrophobicContact CB-CE2 3.89Å; A331-F338 HydrophobicContact CB-CG 3.63Å; T336-F338 PolarHBondContact O-N 3.5Å; F338-N340 HydrophobicContact CD1-CB 3.99Å; F338-N340 HydrophobicContact CE1-CB 3.73Å; F338-N340 HydrophobicContact CZ-CB 4.49Å; F338-T372 HydrophobicContact CD2-CG2 3.97Å; F338-T372 HydrophobicContact CE2-CG2 4Å; F338-F374 HydrophobicContact CD2-CB 4.44Å; F338-F374 HydrophobicContact CE2-CB 3.49Å; F338-F374 VanDerWaalsContact CE2-CB 3.49Å; F338-F374 HydrophobicContact CE2-CG 4.25Å; F338-F374 HydrophobicContact CZ-CB 3.58Å; F338-F374 AromaticContact CZ-CD1 3.99Å; F338-F374 HydrophobicContact CZ-CD1 3.99Å; F338-F374 AromaticContact CZ-CG 3.96Å; F338-F374 HydrophobicContact CZ-CG 3.96Å
339	F	89.8	Confident	85.1	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	96	173.5	-62.9	-95.6	0	0	0	108.4	I263 I267 L361 L364 A365 H368 T372 F374	I263-F339 HydrophobicContact CG2-CD1 4.28Å; I267-F339 HydrophobicContact CG2-CB 3.72Å; I267-F339 HydrophobicContact CG2-CD1 4.03Å; I267-F339 HydrophobicContact CG2-CG 4.37Å; F339-L361 HydrophobicContact CB-CD1 4.06Å; F339-L361 HydrophobicContact CD1-CD1 3.89Å; F339-L361 HydrophobicContact CG-CD1 4.15Å; F339-L364 HydrophobicContact CE1-CB 4.13Å; F339-L364 HydrophobicContact CZ-CB 4.36Å; F339-A365 HydrophobicContact CD2-CB 4.28Å; F339-A365 HydrophobicContact CE2-CB 4Å; F339-A365 HydrophobicContact CZ-CB 4.4Å; F339-H368 HydrophobicContact CZ-CB 4.28Å; F339-T372 PolarHBondContact N-O 3.24Å; F339-F374 PolarHBondContact O-N 3.26Å
340	N	89.8	Confident	84.2	Confident	45 Å²	45	35.5 Å²	35.5	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.4	-177.8	176.7	37.2	0	0	0	111.2	I267 L269 F338 F374	I267-N340 PolarHBondContact O-N 3.33Å; L269-N340 HydrophobicContact CD1-CB 4.38Å; F338-N340 HydrophobicContact CD1-CB 3.99Å; F338-N340 HydrophobicContact CE1-CB 3.73Å; F338-N340 HydrophobicContact CZ-CB 4.49Å; N340-F374 WeakPolarHBondContact OD1-CD1 3.22Å
341	I	87.7	Confident	83.2	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	121	-176	-39.3	178.1	0	0	0	110.9	I267 I346 L361 I373 F374 L375 D376	I267-I341 HydrophobicContact CB-CG1 4.39Å; I267-I341 HydrophobicContact CD1-CD1 4.04Å; I267-I341 HydrophobicContact CD1-CG1 3.91Å; I267-I341 HydrophobicContact CD1-CG2 4.19Å; I267-I341 HydrophobicContact CG1-CG1 3.97Å; I267-I341 HydrophobicContact CG2-CD1 4.02Å; I267-I341 HydrophobicContact CG2-CG1 3.55Å; I341-I346 HydrophobicContact CG2-CD1 3.64Å; I341-I346 HydrophobicContact CG2-CG1 3.65Å; I341-L361 HydrophobicContact CD1-CD1 3.61Å; I341-L361 HydrophobicContact CD1-CD2 3.25Å; I341-L361 HydrophobicContact CD1-CG 4.03Å; I341-I373 HydrophobicContact CD1-CG2 4.49Å; I341-F374 PolarHBondContact N-O 2.65Å; I341-L375 HydrophobicContact CB-CD2 4.08Å; I341-L375 HydrophobicContact CD1-CD2 4.07Å; I341-L375 HydrophobicContact CG1-CD2 4.43Å; I341-L375 CarbonylContact O-C 3.55Å; I341-L375 WeakPolarHBondContact O-CA 3.4Å; I341-D376 PolarHBondContact O-N 2.91Å
342	S	86.9	Confident	82.7	Confident	29 Å²	29	45.4 Å²	45.4	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	127.2	163.1	144.7	0	0	0	0	109.3	S344 T345 I346 E377	S342-S344 VanDerWaalsContact C-N 3.28Å; S342-S344 PolarHBondContact O-N 2.88Å; S342-S344 PolarHBondContact OG-N 2.87Å; S342-S344 PolarHBondContact OG-OG 2.89Å; S342-T345 WeakPolarHBondContact CB-OG1 3.37Å; S342-T345 VanDerWaalsContact O-CB 3.3Å; S342-T345 WeakPolarHBondContact O-CB 3.44Å; S342-T345 PolarHBondContact O-N 2.78Å; S342-T345 VanDerWaalsContact O-N 3.11Å; S342-T345 PolarHBondContact OG-N 2.77Å; S342-T345 PolarHBondContact OG-OG1 3.38Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å; S342-I346 PolarHBondContact O-N 3.11Å; S342-E377 PolarHBondContact OG-OE2 3.03Å
343	A	82.5	Confident	82.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-42.1	175.9	0	0	0	0	0	112.5	T345 I346 V347 D376 E377 S380 L381	A343-T345 VanDerWaalsContact C-N 3.27Å; A343-T345 PolarHBondContact O-N 3.37Å; A343-I346 PolarHBondContact O-N 2.87Å; A343-I346 VanDerWaalsContact O-N 3.1Å; A343-V347 PolarHBondContact O-N 2.83Å; A343-D376 WeakPolarHBondContact CB-O 3.31Å; A343-D376 PolarHBondContact N-O 3.08Å; A343-E377 HydrophobicContact CB-CB 4.38Å; A343-E377 WeakPolarHBondContact CB-O 3.32Å; A343-S380 VanDerWaalsContact CB-OG 3.23Å; A343-S380 WeakPolarHBondContact CB-OG 3.42Å; A343-L381 HydrophobicContact CB-CB 3.96Å; A343-L381 HydrophobicContact CB-CD1 3.51Å; A343-L381 HydrophobicContact CB-CG 3.67Å
344	S	81.6	Confident	82.1	Confident	47 Å²	47	45.4 Å²	45.4	33%	0.329	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-29.7	178.6	71.7	0	0	0	0	112.7	S342 I346 S348 E377 S380	S342-S344 VanDerWaalsContact C-N 3.28Å; S342-S344 PolarHBondContact O-N 2.88Å; S342-S344 PolarHBondContact OG-N 2.87Å; S342-S344 PolarHBondContact OG-OG 2.89Å; S344-I346 VanDerWaalsContact C-N 3.34Å; S344-I346 PolarHBondContact O-N 2.89Å; S344-S348 WeakPolarHBondContact O-CB 3.41Å; S344-S348 PolarHBondContact O-N 2.89Å; S344-S348 PolarHBondContact O-OG 2.89Å; S344-E377 WeakPolarHBondContact CB-OE2 3.4Å; S344-E377 PolarHBondContact OG-OE2 2.9Å; S344-S380 PolarHBondContact N-OG 3.14Å
345	T	79.4	Confident	82.1	Confident	47 Å²	47	47.2 Å²	47.2	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-33.4	173.2	-58.3	0	0	0	0	112.1	S342 A343 S348 K349	S342-T345 WeakPolarHBondContact CB-OG1 3.37Å; S342-T345 VanDerWaalsContact O-CB 3.3Å; S342-T345 WeakPolarHBondContact O-CB 3.44Å; S342-T345 PolarHBondContact O-N 2.78Å; S342-T345 VanDerWaalsContact O-N 3.11Å; S342-T345 PolarHBondContact OG-N 2.77Å; S342-T345 PolarHBondContact OG-OG1 3.38Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å; A343-T345 VanDerWaalsContact C-N 3.27Å; A343-T345 PolarHBondContact O-N 3.37Å; T345-S348 WeakPolarHBondContact CA-OG 3.48Å; T345-S348 PolarHBondContact O-OG 3.49Å; T345-K349 HydrophobicContact CG2-CD 3.79Å; T345-K349 HydrophobicContact CG2-CG 4.28Å; T345-K349 WeakPolarHBondContact O-CB 3.24Å; T345-K349 PolarHBondContact O-N 3Å; T345-K349 VanDerWaalsContact O-N 3.11Å
346	I	79.4	Confident	82.2	Confident	6 Å²	6	43 Å²	43	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-46.7	178.4	-36.9	-174.7	0	0	0	111.2	I341 S342 A343 S344 S348 W350 L357 L381 M413	I341-I346 HydrophobicContact CG2-CD1 3.64Å; I341-I346 HydrophobicContact CG2-CG1 3.65Å; S342-I346 PolarHBondContact O-N 3.11Å; A343-I346 PolarHBondContact O-N 2.87Å; A343-I346 VanDerWaalsContact O-N 3.1Å; S344-I346 VanDerWaalsContact C-N 3.34Å; S344-I346 PolarHBondContact O-N 2.89Å; I346-S348 VanDerWaalsContact C-N 3.28Å; I346-S348 PolarHBondContact O-N 3.34Å; I346-W350 HydrophobicContact CG2-CB 4.36Å; I346-W350 WeakPolarHBondContact O-CB 3.46Å; I346-W350 PolarHBondContact O-N 2.96Å; I346-W350 VanDerWaalsContact O-N 3.12Å; I346-L357 HydrophobicContact CG2-CD2 3.79Å; I346-L381 HydrophobicContact CD1-CD1 3.99Å; I346-L381 HydrophobicContact CG1-CD1 4.48Å; I346-M413 HydrophobicContact CB-CE 4.25Å; I346-M413 HydrophobicContact CB-SD 3.84Å; I346-M413 HydrophobicContact CD1-SD 4.38Å; I346-M413 HydrophobicContact CG2-CE 3.92Å; I346-M413 HydrophobicContact CG2-SD 3.4Å; I346-M413 WeakPolarHBondContact CG2-SD 3.39Å
347	V	76.8	Confident	82.3	Confident	36 Å²	36	43 Å²	43	22%	0.218	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-31.5	-178.5	-176.8	0	0	0	0	112.7	A343 R351 L381 M413	A343-V347 PolarHBondContact O-N 2.83Å; V347-R351 PolarHBondContact O-NH1 3.4Å; V347-L381 HydrophobicContact CG2-CD2 3.32Å; V347-L381 HydrophobicContact CG2-CG 3.94Å; V347-M413 HydrophobicContact CG2-CE 4.03Å
348	S	76.3	Confident	82.5	Confident	75 Å²	75	41.8 Å²	41.8	52%	0.524	23%	0.227	S	C	.	.	H	α-helix	trans	-83.5	-57.9	-178.6	51.9	0	0	0	0	112.6	S344 T345 I346	S344-S348 WeakPolarHBondContact O-CB 3.41Å; S344-S348 PolarHBondContact O-N 2.89Å; S344-S348 PolarHBondContact O-OG 2.89Å; T345-S348 WeakPolarHBondContact CA-OG 3.48Å; T345-S348 PolarHBondContact O-OG 3.49Å; I346-S348 VanDerWaalsContact C-N 3.28Å; I346-S348 PolarHBondContact O-N 3.34Å
349	K	77.7	Confident	82.4	Confident	124 Å²	124	45.3 Å²	45.3	54%	0.539	24%	0.24	S	C	.	.	H	α-helix	trans	-70.9	-37.3	-176.1	-70.4	-175.6	176.5	174	0	113.6	D266 T345	D266-K349 IonicContact OD2-NZ 3.89Å; D266-K349 PolarHBondContact OD2-NZ 2.81Å; T345-K349 HydrophobicContact CG2-CD 3.79Å; T345-K349 HydrophobicContact CG2-CG 4.28Å; T345-K349 WeakPolarHBondContact O-CB 3.24Å; T345-K349 PolarHBondContact O-N 3Å; T345-K349 VanDerWaalsContact O-N 3.11Å
350	W	74	Confident	82.3	Confident	49 Å²	49	45.2 Å²	45.2	19%	0.186	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	37.1	-162.6	-59.6	99.6	0	0	0	114.6	L259 T262 I346 G352 D353 S354 L357	L259-W350 HydrophobicContact CD2-CE3 3.91Å; L259-W350 HydrophobicContact CD2-CH2 3.98Å; L259-W350 HydrophobicContact CD2-CZ3 3.36Å; T262-W350 HydrophobicContact CG2-CH2 3.69Å; T262-W350 HydrophobicContact CG2-CZ2 3.53Å; I346-W350 HydrophobicContact CG2-CB 4.36Å; I346-W350 WeakPolarHBondContact O-CB 3.46Å; I346-W350 PolarHBondContact O-N 2.96Å; I346-W350 VanDerWaalsContact O-N 3.12Å; W350-G352 PolarHBondContact O-N 3.11Å; W350-G352 VanDerWaalsContact O-N 3.11Å; W350-D353 PolarHBondContact O-N 2.86Å; W350-S354 VanDerWaalsContact O-CB 3.23Å; W350-S354 WeakPolarHBondContact O-CB 3.26Å; W350-S354 PolarHBondContact O-N 2.77Å; W350-L357 HydrophobicContact CB-CD2 4.39Å; W350-L357 HydrophobicContact CD2-CD1 3.89Å; W350-L357 HydrophobicContact CD2-CD2 4.02Å; W350-L357 HydrophobicContact CD2-CG 4.46Å; W350-L357 HydrophobicContact CE3-CD1 4.15Å; W350-L357 HydrophobicContact CG-CD1 4.47Å; W350-L357 HydrophobicContact CG-CD2 3.73Å; W350-L357 HydrophobicContact CH2-CD1 4.08Å; W350-L357 HydrophobicContact CZ2-CD1 3.81Å; W350-L357 HydrophobicContact CZ3-CD1 4.26Å
351	R	69.5	Low	82.3	Confident	149 Å²	149	43.4 Å²	43.4	56%	0.562	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	113.1	174.5	-91.6	167.4	145.1	68.3	-6.4	111.4	V347 H407	V347-R351 PolarHBondContact O-NH1 3.4Å; R351-H407 PolarHBondContact NH2-CD2 3.28Å; R351-H407 PolarHBondContact NH2-CE1 3Å; R351-H407 PolarHBondContact NH2-NE2 2.95Å
352	G	76.8	Confident	82.5	Confident	60 Å²	60	43 Å²	43	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	110.2	-61.3	-179.4	0	0	0	0	0	112	W350	W350-G352 PolarHBondContact O-N 3.11Å; W350-G352 VanDerWaalsContact O-N 3.11Å
353	D	80.8	Confident	82.5	Confident	68 Å²	68	44.6 Å²	44.6	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.2	-176.1	-68.6	-65.1	0	0	0	115.1	W350 E355 K356 L357	W350-D353 PolarHBondContact O-N 2.86Å; D353-E355 VanDerWaalsContact C-N 3.25Å; D353-E355 PolarHBondContact O-N 2.67Å; D353-E355 VanDerWaalsContact O-N 3.12Å; D353-K356 HydrophobicContact CB-CD 4.42Å; D353-K356 WeakPolarHBondContact O-CA 3.34Å; D353-K356 WeakPolarHBondContact O-CB 3.42Å; D353-K356 PolarHBondContact O-N 3.18Å; D353-K356 VanDerWaalsContact OD1-CD 3.32Å; D353-K356 WeakPolarHBondContact OD1-CD 3.25Å; D353-K356 WeakPolarHBondContact OD1-CE 3.33Å; D353-K356 IonicContact OD1-NZ 2.74Å; D353-K356 PolarHBondContact OD1-NZ 3.11Å; D353-L357 PolarHBondContact O-N 2.89Å
354	S	84.1	Confident	82.6	Confident	3 Å²	3	45 Å²	45	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-47.9	-37.6	178.7	49.3	0	0	0	0	116	W350 L357 V358 G409	W350-S354 VanDerWaalsContact O-CB 3.23Å; W350-S354 WeakPolarHBondContact O-CB 3.26Å; W350-S354 PolarHBondContact O-N 2.77Å; S354-L357 PolarHBondContact O-N 3.28Å; S354-V358 WeakPolarHBondContact O-CG2 3.44Å; S354-V358 PolarHBondContact O-N 3.07Å; S354-V358 VanDerWaalsContact O-N 3.1Å; S354-G409 PolarHBondContact OG-O 3.18Å
355	E	86.5	Confident	83	Confident	54 Å²	54	42.8 Å²	42.8	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-46.1	173.5	-177.3	-170.7	135.9	0	0	111.6	D353 L357 V358 R359 E416	D353-E355 VanDerWaalsContact C-N 3.25Å; D353-E355 PolarHBondContact O-N 2.67Å; D353-E355 VanDerWaalsContact O-N 3.12Å; E355-L357 VanDerWaalsContact C-N 3.34Å; E355-L357 PolarHBondContact O-N 3.19Å; E355-V358 PolarHBondContact O-N 2.9Å; E355-R359 PolarHBondContact O-N 3.43Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NH1 2.89Å; E355-R359 PolarHBondContact OE1-NH1 3.47Å; E355-R359 IonicContact OE1-NH2 3.92Å; E355-R359 PolarHBondContact OE1-NH2 2.95Å; E355-E416 HydrophobicContact CG-CB 4.11Å; E355-E416 HydrophobicContact CG-CG 4.21Å
356	K	87.2	Confident	83.5	Confident	62 Å²	62	43.6 Å²	43.6	27%	0.27	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-41.1	175.8	-56.2	178.5	-171.3	162.7	0	110.7	E255 L259 D353 V358 R359 V360	E255-K356 IonicContact OE2-NZ 3.24Å; E255-K356 PolarHBondContact OE2-NZ 2.99Å; L259-K356 HydrophobicContact CD1-CB 3.53Å; L259-K356 HydrophobicContact CD1-CD 4.26Å; D353-K356 HydrophobicContact CB-CD 4.42Å; D353-K356 WeakPolarHBondContact O-CA 3.34Å; D353-K356 WeakPolarHBondContact O-CB 3.42Å; D353-K356 PolarHBondContact O-N 3.18Å; D353-K356 VanDerWaalsContact OD1-CD 3.32Å; D353-K356 WeakPolarHBondContact OD1-CD 3.25Å; D353-K356 WeakPolarHBondContact OD1-CE 3.33Å; D353-K356 IonicContact OD1-NZ 2.74Å; D353-K356 PolarHBondContact OD1-NZ 3.11Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 3.49Å; K356-R359 PolarHBondContact O-N 3.3Å; K356-V360 WeakPolarHBondContact O-CG2 3.39Å; K356-V360 PolarHBondContact O-N 3.12Å
357	L	85.9	Confident	83.7	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-42.1	178.8	-165.8	86.2	0	0	0	111.8	L259 I263 I346 W350 D353 S354 E355 V360 L361	L259-L357 HydrophobicContact CB-CD1 4.46Å; L259-L357 HydrophobicContact CD2-CD1 3.99Å; I263-L357 HydrophobicContact CD1-CD1 3.8Å; I263-L357 HydrophobicContact CD1-CG 4.08Å; I263-L357 HydrophobicContact CG1-CD1 3.74Å; I263-L357 HydrophobicContact CG1-CG 4.3Å; I346-L357 HydrophobicContact CG2-CD2 3.79Å; W350-L357 HydrophobicContact CB-CD2 4.39Å; W350-L357 HydrophobicContact CD2-CD1 3.89Å; W350-L357 HydrophobicContact CD2-CD2 4.02Å; W350-L357 HydrophobicContact CD2-CG 4.46Å; W350-L357 HydrophobicContact CE3-CD1 4.15Å; W350-L357 HydrophobicContact CG-CD1 4.47Å; W350-L357 HydrophobicContact CG-CD2 3.73Å; W350-L357 HydrophobicContact CH2-CD1 4.08Å; W350-L357 HydrophobicContact CZ2-CD1 3.81Å; W350-L357 HydrophobicContact CZ3-CD1 4.26Å; D353-L357 PolarHBondContact O-N 2.89Å; S354-L357 PolarHBondContact O-N 3.28Å; E355-L357 VanDerWaalsContact C-N 3.34Å; E355-L357 PolarHBondContact O-N 3.19Å; L357-V360 PolarHBondContact O-N 3.04Å; L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 PolarHBondContact O-N 2.84Å
358	V	89.4	Confident	84	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-39.6	176.7	174.8	0	0	0	0	111.5	S354 E355 K356 L361 F362 M413 E416 L417 Q420	S354-V358 WeakPolarHBondContact O-CG2 3.44Å; S354-V358 PolarHBondContact O-N 3.07Å; S354-V358 VanDerWaalsContact O-N 3.1Å; E355-V358 PolarHBondContact O-N 2.9Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 3.49Å; V358-L361 PolarHBondContact O-N 3.11Å; V358-F362 HydrophobicContact CG1-CD2 4.16Å; V358-F362 HydrophobicContact CG1-CE2 4.12Å; V358-F362 WeakPolarHBondContact O-CD2 3.43Å; V358-F362 PolarHBondContact O-N 3Å; V358-M413 HydrophobicContact CG2-CG 3.69Å; V358-M413 HydrophobicContact CG2-SD 4.46Å; V358-E416 HydrophobicContact CB-CG 4.05Å; V358-E416 HydrophobicContact CG1-CB 4.36Å; V358-E416 HydrophobicContact CG1-CG 3.88Å; V358-L417 HydrophobicContact CG1-CB 4.17Å; V358-L417 HydrophobicContact CG1-CD1 4.35Å; V358-Q420 HydrophobicContact CG1-CG 4.24Å
359	R	88.9	Confident	84.4	Confident	75 Å²	75	42.1 Å²	42.1	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-52.7	172	-70.6	-177.8	-174.8	131.1	9.9	112	W256 E355 K356 L361 F362 E363 E416	W256-R359 HydrophobicContact CH2-CB 3.77Å; W256-R359 HydrophobicContact CZ2-CB 3.96Å; E355-R359 PolarHBondContact O-N 3.43Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NH1 2.89Å; E355-R359 PolarHBondContact OE1-NH1 3.47Å; E355-R359 IonicContact OE1-NH2 3.92Å; E355-R359 PolarHBondContact OE1-NH2 2.95Å; K356-R359 PolarHBondContact O-N 3.3Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.44Å; R359-F362 PolarHBondContact O-N 2.99Å; R359-E363 PolarHBondContact O-N 3.22Å; R359-E416 HydrophobicContact CG-CG 3.94Å; R359-E416 WeakPolarHBondContact CG-OE1 3.3Å; R359-E416 IonicContact CZ-OE1 3.18Å; R359-E416 IonicContact CZ-OE2 2.63Å; R359-E416 VanDerWaalsContact CZ-OE2 3.24Å; R359-E416 IonicContact NE-OE1 3.14Å; R359-E416 PolarHBondContact NE-OE1 3.26Å; R359-E416 IonicContact NE-OE2 3.73Å; R359-E416 PolarHBondContact NE-OE2 3.25Å; R359-E416 VanDerWaalsContact NE-OE2 3.14Å; R359-E416 IonicContact NH2-OE1 2.69Å; R359-E416 IonicContact NH2-OE2 2.61Å; R359-E416 PolarHBondContact NH2-OE2 3.02Å
360	V	87.6	Confident	84.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-41.5	-179.6	-176.7	0	0	0	0	111	W256 L259 A260 I263 K356 L357 E363 L364	W256-V360 HydrophobicContact CD2-CG2 3.69Å; W256-V360 HydrophobicContact CE3-CB 4.17Å; W256-V360 HydrophobicContact CE3-CG1 4.27Å; W256-V360 HydrophobicContact CE3-CG2 3.4Å; W256-V360 HydrophobicContact CG-CG2 4.43Å; W256-V360 HydrophobicContact CH2-CG2 3.91Å; W256-V360 HydrophobicContact CZ2-CG2 4.17Å; W256-V360 HydrophobicContact CZ3-CB 3.98Å; W256-V360 HydrophobicContact CZ3-CG1 4.36Å; W256-V360 HydrophobicContact CZ3-CG2 3.52Å; L259-V360 HydrophobicContact CB-CB 4.48Å; L259-V360 HydrophobicContact CB-CG1 4.36Å; L259-V360 HydrophobicContact CB-CG2 3.92Å; L259-V360 HydrophobicContact CD1-CG2 3.96Å; A260-V360 HydrophobicContact CB-CG1 3.79Å; I263-V360 HydrophobicContact CD1-CB 3.89Å; I263-V360 HydrophobicContact CD1-CG1 3.73Å; K356-V360 WeakPolarHBondContact O-CG2 3.39Å; K356-V360 PolarHBondContact O-N 3.12Å; L357-V360 PolarHBondContact O-N 3.04Å; V360-E363 PolarHBondContact O-N 3.42Å; V360-L364 HydrophobicContact CG1-CD1 3.97Å; V360-L364 HydrophobicContact CG1-CG 4.27Å; V360-L364 WeakPolarHBondContact O-CB 3.45Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.43Å; V360-L364 PolarHBondContact O-N 3.21Å
361	L	89.2	Confident	85.6	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-52.3	176.3	169.1	65.4	0	0	0	112.4	I263 F339 I341 L357 V358 R359 L364 A365 I373	I263-L361 HydrophobicContact CD1-CB 4.24Å; I263-L361 HydrophobicContact CG2-CD1 4.37Å; F339-L361 HydrophobicContact CB-CD1 4.06Å; F339-L361 HydrophobicContact CD1-CD1 3.89Å; F339-L361 HydrophobicContact CG-CD1 4.15Å; I341-L361 HydrophobicContact CD1-CD1 3.61Å; I341-L361 HydrophobicContact CD1-CD2 3.25Å; I341-L361 HydrophobicContact CD1-CG 4.03Å; L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 PolarHBondContact O-N 2.84Å; V358-L361 PolarHBondContact O-N 3.11Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.44Å; L361-L364 PolarHBondContact O-N 3.38Å; L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.18Å; L361-I373 HydrophobicContact CD2-CG2 4.2Å; L361-I373 HydrophobicContact CG-CD1 4.47Å
362	F	91.4	Very high	86.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-71.1	-33	-176.2	-83.6	-110.2	0	0	0	111.7	V358 R359 A365 R366 I373 L417 Q420 M421 L424 L433	V358-F362 HydrophobicContact CG1-CD2 4.16Å; V358-F362 HydrophobicContact CG1-CE2 4.12Å; V358-F362 WeakPolarHBondContact O-CD2 3.43Å; V358-F362 PolarHBondContact O-N 3Å; R359-F362 PolarHBondContact O-N 2.99Å; F362-A365 PolarHBondContact O-N 3.35Å; F362-R366 WeakPolarHBondContact O-CB 3.45Å; F362-R366 VanDerWaalsContact O-CG 3.28Å; F362-R366 WeakPolarHBondContact O-CG 3.3Å; F362-R366 PolarHBondContact O-N 2.88Å; F362-I373 HydrophobicContact CD1-CD1 4.12Å; F362-I373 HydrophobicContact CD2-CD1 4.22Å; F362-I373 HydrophobicContact CE1-CD1 4.11Å; F362-I373 HydrophobicContact CE2-CD1 4.18Å; F362-I373 HydrophobicContact CG-CD1 4.21Å; F362-I373 HydrophobicContact CZ-CD1 4.14Å; F362-L417 HydrophobicContact CE2-CD1 3.55Å; F362-L417 HydrophobicContact CZ-CD1 3.51Å; F362-Q420 HydrophobicContact CB-CB 4.28Å; F362-Q420 HydrophobicContact CB-CG 4.22Å; F362-Q420 HydrophobicContact CD1-CB 3.58Å; F362-Q420 HydrophobicContact CD1-CG 4.42Å; F362-Q420 HydrophobicContact CD2-CB 3.95Å; F362-Q420 HydrophobicContact CD2-CG 4.23Å; F362-Q420 HydrophobicContact CE1-CB 3.71Å; F362-Q420 HydrophobicContact CE2-CB 4.1Å; F362-Q420 HydrophobicContact CG-CB 3.68Å; F362-Q420 HydrophobicContact CG-CG 4.05Å; F362-Q420 HydrophobicContact CZ-CB 3.97Å; F362-M421 HydrophobicContact CZ-CG 4.46Å; F362-L424 HydrophobicContact CD1-CD1 3.75Å; F362-L424 HydrophobicContact CD1-CD2 4.45Å; F362-L424 HydrophobicContact CD1-CG 3.94Å; F362-L424 HydrophobicContact CE1-CD1 3.51Å; F362-L424 HydrophobicContact CE1-CG 4.01Å; F362-L433 HydrophobicContact CE1-CD1 4.29Å; F362-L433 HydrophobicContact CZ-CD1 3.73Å
363	E	87.6	Confident	87.4	Confident	61 Å²	61	25.7 Å²	25.7	29%	0.285	13%	0.125	S	C	.	.	H	α-helix	trans	-67.3	-40.5	171.9	-73	178.8	-148.8	0	0	112.2	Y252 W256 R359 V360 R366 F367	Y252-E363 PolarHBondContact OH-OE2 3.11Å; W256-E363 VanDerWaalsContact CH2-CD 3.46Å; W256-E363 WeakPolarHBondContact CH2-OE1 3.28Å; W256-E363 WeakPolarHBondContact CH2-OE2 3.42Å; W256-E363 HydrophobicContact CZ3-CB 4.44Å; W256-E363 WeakPolarHBondContact CZ3-OE2 3.32Å; R359-E363 PolarHBondContact O-N 3.22Å; V360-E363 PolarHBondContact O-N 3.42Å; E363-R366 PolarHBondContact O-N 3.48Å; E363-F367 WeakPolarHBondContact O-CB 3.23Å; E363-F367 PolarHBondContact O-N 3.18Å
364	L	84.9	Confident	88	Confident	10 Å²	10	22.4 Å²	22.4	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-42.2	171.8	-74	174.7	0	0	0	112.2	L246 A260 I263 F339 V360 L361 F367 H368	L246-L364 HydrophobicContact CD2-CD2 3.57Å; A260-L364 HydrophobicContact CB-CD1 4.1Å; A260-L364 HydrophobicContact CB-CD2 4.45Å; I263-L364 HydrophobicContact CB-CD1 4.02Å; I263-L364 HydrophobicContact CD1-CD1 4.21Å; I263-L364 HydrophobicContact CG2-CD1 3.86Å; F339-L364 HydrophobicContact CE1-CB 4.13Å; F339-L364 HydrophobicContact CZ-CB 4.36Å; V360-L364 HydrophobicContact CG1-CD1 3.97Å; V360-L364 HydrophobicContact CG1-CG 4.27Å; V360-L364 WeakPolarHBondContact O-CB 3.45Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.43Å; V360-L364 PolarHBondContact O-N 3.21Å; L361-L364 PolarHBondContact O-N 3.38Å; L364-F367 PolarHBondContact O-N 2.92Å; L364-H368 WeakPolarHBondContact O-CB 3.33Å; L364-H368 PolarHBondContact O-CD2 2.79Å; L364-H368 PolarHBondContact O-N 3.11Å
365	A	89.3	Confident	88.5	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.6	-43.8	177.1	0	0	0	0	0	111.9	F339 L361 F362 F367 H368 A369 S371 I373 V431	F339-A365 HydrophobicContact CD2-CB 4.28Å; F339-A365 HydrophobicContact CE2-CB 4Å; F339-A365 HydrophobicContact CZ-CB 4.4Å; L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.18Å; F362-A365 PolarHBondContact O-N 3.35Å; A365-F367 VanDerWaalsContact C-N 3.33Å; A365-F367 PolarHBondContact O-N 2.75Å; A365-H368 CarbonylContact O-C 3.56Å; A365-H368 PolarHBondContact O-N 2.93Å; A365-A369 PolarHBondContact O-N 2.79Å; A365-S371 PolarHBondContact O-OG 3.37Å; A365-I373 HydrophobicContact CB-CD1 3.68Å; A365-I373 HydrophobicContact CB-CG1 3.84Å; A365-V431 HydrophobicContact CB-CG1 3.86Å; A365-V431 HydrophobicContact CB-CG2 4.22Å; A365-V431 WeakPolarHBondContact O-CG2 3.48Å
366	R	89.6	Confident	88.8	Confident	63 Å²	63	20.9 Å²	20.9	24%	0.238	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-44.9	171.9	-72.8	176.9	174.7	112.3	3.3	111.6	F362 E363 H368 A369 L424 D429 V431	F362-R366 WeakPolarHBondContact O-CB 3.45Å; F362-R366 VanDerWaalsContact O-CG 3.28Å; F362-R366 WeakPolarHBondContact O-CG 3.3Å; F362-R366 PolarHBondContact O-N 2.88Å; E363-R366 PolarHBondContact O-N 3.48Å; R366-H368 VanDerWaalsContact C-N 3.34Å; R366-H368 PolarHBondContact O-N 2.96Å; R366-A369 WeakPolarHBondContact O-CB 3.48Å; R366-A369 PolarHBondContact O-N 2.64Å; R366-L424 HydrophobicContact CG-CD2 4.38Å; R366-D429 WeakPolarHBondContact CD-OD2 3.4Å; R366-D429 HydrophobicContact CG-CB 4.4Å; R366-D429 WeakPolarHBondContact CG-OD2 3.28Å; R366-D429 IonicContact CZ-OD2 2.76Å; R366-D429 IonicContact NE-OD2 3.29Å; R366-D429 PolarHBondContact NE-OD2 3.17Å; R366-V431 HydrophobicContact CG-CG2 4.19Å
367	F	83.9	Confident	89	Confident	30 Å²	30	21.4 Å²	21.4	13%	0.132	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-34.1	-179.4	-176.6	-120.4	0	0	0	113.2	K244 L246 Y249 E363 L364 A365	K244-F367 HydrophobicContact CB-CD1 4.37Å; K244-F367 HydrophobicContact CB-CE1 3.56Å; K244-F367 HydrophobicContact CB-CE2 4.05Å; K244-F367 HydrophobicContact CB-CZ 3.37Å; K244-F367 HydrophobicContact CD-CD2 4.21Å; K244-F367 HydrophobicContact CD-CE2 3.96Å; K244-F367 HydrophobicContact CD-CZ 4.14Å; K244-F367 WeakPolarHBondContact CD-O 3.48Å; K244-F367 WeakPolarHBondContact CE-O 3.45Å; K244-F367 HydrophobicContact CG-CZ 4.42Å; K244-F367 PolarHBondContact NZ-O 3.1Å; K244-F367 WeakPolarHBondContact O-CE1 3.23Å; L246-F367 HydrophobicContact CD2-CE1 4.21Å; Y249-F367 HydrophobicContact CD2-CD2 4.25Å; Y249-F367 HydrophobicContact CD2-CE2 4.09Å; Y249-F367 AromaticContact CE2-CD2 3.97Å; Y249-F367 HydrophobicContact CE2-CD2 3.97Å; Y249-F367 HydrophobicContact CE2-CE2 4.16Å; E363-F367 WeakPolarHBondContact O-CB 3.23Å; E363-F367 PolarHBondContact O-N 3.18Å; L364-F367 PolarHBondContact O-N 2.92Å; A365-F367 VanDerWaalsContact C-N 3.33Å; A365-F367 PolarHBondContact O-N 2.75Å
368	H	82.9	Confident	89.3	Confident	25 Å²	25	21 Å²	21	12%	0.116	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.1	178.6	-68	-63.6	0	0	0	114.7	L243 T337 F339 L364 A365 R366 S371	L243-H368 WeakPolarHBondContact CD2-CE1 3.32Å; T337-H368 HydrophobicContact CG2-CB 4.28Å; T337-H368 PolarHBondContact OG1-O 3.24Å; F339-H368 HydrophobicContact CZ-CB 4.28Å; L364-H368 WeakPolarHBondContact O-CB 3.33Å; L364-H368 PolarHBondContact O-CD2 2.79Å; L364-H368 PolarHBondContact O-N 3.11Å; A365-H368 CarbonylContact O-C 3.56Å; A365-H368 PolarHBondContact O-N 2.93Å; R366-H368 VanDerWaalsContact C-N 3.34Å; R366-H368 PolarHBondContact O-N 2.96Å; H368-S371 PolarHBondContact O-OG 3.05Å; H368-S371 VanDerWaalsContact O-OG 3.11Å
369	A	85.5	Confident	89.3	Confident	31 Å²	31	21.6 Å²	21.6	26%	0.256	11%	0.105	S	C	.	.			trans	-56.5	141	179.7	0	0	0	0	0	112.4	A365 R366 S371 L430 V431	A365-A369 PolarHBondContact O-N 2.79Å; R366-A369 WeakPolarHBondContact O-CB 3.48Å; R366-A369 PolarHBondContact O-N 2.64Å; A369-S371 PolarHBondContact N-OG 3.47Å; A369-L430 HydrophobicContact CB-CB 4.4Å; A369-V431 HydrophobicContact CB-CG2 4.29Å
370	P	88	Confident	89.2	Confident	34 Å²	34	20.4 Å²	20.4	22%	0.221	11%	0.108	C	C	.	.	S	Bend	cis	-77.1	136.3	5.9	32.9	-37	0	0	0	113.7	T336 T337 L430	T336-P370 WeakPolarHBondContact CA-O 3.44Å; T336-P370 WeakPolarHBondContact CB-O 3.22Å; T336-P370 HydrophobicContact CG2-CB 4.04Å; T336-P370 HydrophobicContact CG2-CG 4.38Å; T337-P370 PolarHBondContact N-O 3.39Å; T337-P370 VanDerWaalsContact N-O 3.12Å; T337-P370 PolarHBondContact OG1-O 3.09Å; P370-L430 CarbonylContact C-O 3.59Å; P370-L430 VanDerWaalsContact CA-O 3.24Å; P370-L430 WeakPolarHBondContact CA-O 3.43Å; P370-L430 HydrophobicContact CB-CB 3.88Å; P370-L430 HydrophobicContact CB-CD1 4.4Å
371	S	88.6	Confident	88.9	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.014	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.8	-169.1	-62.5	0	0	0	0	112.9	T337 A365 H368 A369 L430 V431 F432	T337-S371 WeakPolarHBondContact O-CA 3.44Å; T337-S371 WeakPolarHBondContact OG1-CB 3.31Å; T337-S371 PolarHBondContact OG1-OG 3.5Å; A365-S371 PolarHBondContact O-OG 3.37Å; H368-S371 PolarHBondContact O-OG 3.05Å; H368-S371 VanDerWaalsContact O-OG 3.11Å; A369-S371 PolarHBondContact N-OG 3.47Å; S371-L430 PolarHBondContact N-O 2.95Å; S371-V431 WeakPolarHBondContact O-CA 3.37Å; S371-F432 PolarHBondContact O-N 3.04Å
372	T	91.5	Very high	88.5	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.1	169.4	-63	0	0	0	0	109.1	T336 T337 F338 F339 F432 L434	T336-T372 PolarHBondContact OG1-OG1 3.35Å; T337-T372 PolarHBondContact O-N 3.35Å; F338-T372 HydrophobicContact CD2-CG2 3.97Å; F338-T372 HydrophobicContact CE2-CG2 4Å; F339-T372 PolarHBondContact N-O 3.24Å; T372-F432 WeakPolarHBondContact CA-O 3.46Å; T372-F432 HydrophobicContact CG2-CD1 4.2Å; T372-L434 HydrophobicContact CG2-CB 4.36Å
373	I	92.8	Very high	87.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119	168.1	-54.4	176.1	0	0	0	107.6	I341 L361 F362 A365 L375 V431 F432 L434	I341-I373 HydrophobicContact CD1-CG2 4.49Å; L361-I373 HydrophobicContact CD2-CG2 4.2Å; L361-I373 HydrophobicContact CG-CD1 4.47Å; F362-I373 HydrophobicContact CD1-CD1 4.12Å; F362-I373 HydrophobicContact CD2-CD1 4.22Å; F362-I373 HydrophobicContact CE1-CD1 4.11Å; F362-I373 HydrophobicContact CE2-CD1 4.18Å; F362-I373 HydrophobicContact CG-CD1 4.21Å; F362-I373 HydrophobicContact CZ-CD1 4.14Å; A365-I373 HydrophobicContact CB-CD1 3.68Å; A365-I373 HydrophobicContact CB-CG1 3.84Å; I373-L375 HydrophobicContact CG2-CD2 4Å; I373-L375 HydrophobicContact CG2-CG 4.3Å; I373-V431 HydrophobicContact CD1-CG1 3.85Å; I373-V431 HydrophobicContact CG1-CG1 4.09Å; I373-F432 PolarHBondContact N-O 2.99Å; I373-L434 PolarHBondContact O-N 3.4Å
374	F	94	Very high	86.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.4	174.6	179	-117.2	0	0	0	111.3	T324 A327 F338 F339 N340 I341 D376 L434 A436	T324-F374 HydrophobicContact CG2-CE1 3.93Å; T324-F374 HydrophobicContact CG2-CZ 4.39Å; A327-F374 HydrophobicContact CB-CD1 4.18Å; A327-F374 HydrophobicContact CB-CD2 3.47Å; A327-F374 VanDerWaalsContact CB-CD2 3.47Å; A327-F374 HydrophobicContact CB-CE1 4.11Å; A327-F374 HydrophobicContact CB-CE2 3.39Å; A327-F374 HydrophobicContact CB-CG 3.88Å; A327-F374 HydrophobicContact CB-CZ 3.73Å; F338-F374 HydrophobicContact CD2-CB 4.44Å; F338-F374 HydrophobicContact CE2-CB 3.49Å; F338-F374 VanDerWaalsContact CE2-CB 3.49Å; F338-F374 HydrophobicContact CE2-CG 4.25Å; F338-F374 HydrophobicContact CZ-CB 3.58Å; F338-F374 AromaticContact CZ-CD1 3.99Å; F338-F374 HydrophobicContact CZ-CD1 3.99Å; F338-F374 AromaticContact CZ-CG 3.96Å; F338-F374 HydrophobicContact CZ-CG 3.96Å; F339-F374 PolarHBondContact O-N 3.26Å; N340-F374 WeakPolarHBondContact OD1-CD1 3.22Å; I341-F374 PolarHBondContact N-O 2.65Å; F374-D376 HydrophobicContact CD1-CB 4.37Å; F374-D376 HydrophobicContact CE1-CB 3.52Å; F374-D376 VanDerWaalsContact CE1-OD2 3.31Å; F374-D376 WeakPolarHBondContact CE1-OD2 3.44Å; F374-D376 HydrophobicContact CZ-CB 3.75Å; F374-D376 WeakPolarHBondContact CZ-OD2 3.42Å; F374-L434 CarbonylContact C-O 3.59Å; F374-L434 VanDerWaalsContact CA-O 3.28Å; F374-L434 WeakPolarHBondContact CA-O 3.15Å; F374-L434 HydrophobicContact CD2-CB 4.08Å; F374-L434 HydrophobicContact CD2-CD2 4.08Å; F374-L434 HydrophobicContact CD2-CG 3.87Å; F374-L434 WeakPolarHBondContact CD2-O 3.22Å; F374-L434 HydrophobicContact CE2-CG 4.34Å; F374-A436 HydrophobicContact CE2-CB 3.66Å; F374-A436 HydrophobicContact CZ-CB 3.66Å
375	L	93.3	Very high	85.5	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	97.5	176.4	-58.1	-175.6	0	0	0	109.4	I341 I373 L378 L417 L433 L434 A435 A436	I341-L375 HydrophobicContact CB-CD2 4.08Å; I341-L375 HydrophobicContact CD1-CD2 4.07Å; I341-L375 HydrophobicContact CG1-CD2 4.43Å; I341-L375 CarbonylContact O-C 3.55Å; I341-L375 WeakPolarHBondContact O-CA 3.4Å; I373-L375 HydrophobicContact CG2-CD2 4Å; I373-L375 HydrophobicContact CG2-CG 4.3Å; L375-L378 HydrophobicContact CD1-CD1 4.41Å; L375-L417 HydrophobicContact CD1-CD1 4.15Å; L375-L417 HydrophobicContact CD1-CD2 3.8Å; L375-L433 HydrophobicContact CD1-CD1 4.07Å; L375-L433 HydrophobicContact CD1-CD2 4.28Å; L375-L433 HydrophobicContact CD1-CG 4.42Å; L375-L434 PolarHBondContact N-O 3.25Å; L375-A435 CarbonylContact O-C 3.58Å; L375-A435 WeakPolarHBondContact O-CA 3.2Å; L375-A436 PolarHBondContact O-N 3.43Å
376	D	92.7	Very high	83.6	Confident	22 Å²	22	31.9 Å²	31.9	12%	0.118	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	157.2	174.3	-143	-27.4	0	0	0	111.3	T324 I341 A343 F374 L378 A436	T324-D376 WeakPolarHBondContact CB-OD2 3.43Å; T324-D376 WeakPolarHBondContact CG2-OD2 3.21Å; T324-D376 PolarHBondContact OG1-OD2 3.34Å; I341-D376 PolarHBondContact O-N 2.91Å; A343-D376 WeakPolarHBondContact CB-O 3.31Å; A343-D376 PolarHBondContact N-O 3.08Å; F374-D376 HydrophobicContact CD1-CB 4.37Å; F374-D376 HydrophobicContact CE1-CB 3.52Å; F374-D376 VanDerWaalsContact CE1-OD2 3.31Å; F374-D376 WeakPolarHBondContact CE1-OD2 3.44Å; F374-D376 HydrophobicContact CZ-CB 3.75Å; F374-D376 WeakPolarHBondContact CZ-OD2 3.42Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.5Å; D376-A436 WeakPolarHBondContact OD1-CB 3.43Å
377	E	90.8	Very high	81.4	Confident	72 Å²	72	31.8 Å²	31.8	34%	0.336	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	35.3	179.5	-48.2	177.7	123.6	0	0	114.4	S342 A343 S344 D379 S380 A436	S342-E377 PolarHBondContact OG-OE2 3.03Å; A343-E377 HydrophobicContact CB-CB 4.38Å; A343-E377 WeakPolarHBondContact CB-O 3.32Å; S344-E377 WeakPolarHBondContact CB-OE2 3.4Å; S344-E377 PolarHBondContact OG-OE2 2.9Å; E377-D379 PolarHBondContact O-N 3.08Å; E377-S380 WeakPolarHBondContact O-CB 3.47Å; E377-S380 PolarHBondContact O-N 3.35Å; E377-S380 PolarHBondContact O-OG 3.05Å; E377-A436 PolarHBondContact N-O 2.7Å
378	L	92.6	Very high	79	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.8	-32.2	-169.2	-176.2	65.4	0	0	0	113.7	L375 D376 S380 L381 M382 A435 A436 L443 M447 L451	L375-L378 HydrophobicContact CD1-CD1 4.41Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.5Å; L378-S380 PolarHBondContact O-N 2.87Å; L378-L381 PolarHBondContact O-N 3.42Å; L378-M382 HydrophobicContact CD1-CB 4.31Å; L378-M382 HydrophobicContact CD1-CG 3.77Å; L378-M382 HydrophobicContact CG-CB 4.18Å; L378-M382 HydrophobicContact CG-CG 4.17Å; L378-M382 PolarHBondContact O-N 3.35Å; L378-A435 HydrophobicContact CD2-CB 3.68Å; L378-A436 WeakPolarHBondContact CB-O 3.42Å; L378-A436 PolarHBondContact N-O 2.87Å; L378-L443 HydrophobicContact CB-CD2 4.29Å; L378-L443 HydrophobicContact CD2-CD2 4.05Å; L378-L443 HydrophobicContact CG-CD2 3.92Å; L378-M447 HydrophobicContact CD1-CE 4.24Å; L378-M447 HydrophobicContact CD2-CE 3.99Å; L378-L451 HydrophobicContact CD2-CD1 3.83Å
379	D	90.3	Very high	77.1	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-31.1	173.9	36.7	-77.4	0	0	0	113.9	E377 L381 S383 S437 N438 L439 L443	E377-D379 PolarHBondContact O-N 3.08Å; D379-L381 VanDerWaalsContact C-N 3.27Å; D379-L381 PolarHBondContact O-N 3.44Å; D379-S383 WeakPolarHBondContact O-CB 3.39Å; D379-S383 PolarHBondContact O-N 3.35Å; D379-S383 VanDerWaalsContact O-N 3.08Å; D379-S383 PolarHBondContact O-OG 3.27Å; D379-S437 WeakPolarHBondContact OD1-CA 3.48Å; D379-S437 VanDerWaalsContact OD1-CB 3.26Å; D379-S437 WeakPolarHBondContact OD1-CB 3.46Å; D379-S437 PolarHBondContact OD1-OG 3.29Å; D379-N438 PolarHBondContact OD1-N 2.93Å; D379-L439 HydrophobicContact CB-CB 3.99Å; D379-L443 HydrophobicContact CB-CD2 4.28Å
380	S	86	Confident	74.7	Confident	50 Å²	50	44.3 Å²	44.3	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-67.3	-24.5	174.2	70.5	0	0	0	0	113.8	A343 S344 E377 L378	A343-S380 VanDerWaalsContact CB-OG 3.23Å; A343-S380 WeakPolarHBondContact CB-OG 3.42Å; S344-S380 PolarHBondContact N-OG 3.14Å; E377-S380 WeakPolarHBondContact O-CB 3.47Å; E377-S380 PolarHBondContact O-N 3.35Å; E377-S380 PolarHBondContact O-OG 3.05Å; L378-S380 PolarHBondContact O-N 2.87Å
381	L	82.5	Confident	72.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-95.5	-40.4	172.6	-94.4	173.7	0	0	0	112.9	A343 I346 V347 L378 D379 M413 K414	A343-L381 HydrophobicContact CB-CB 3.96Å; A343-L381 HydrophobicContact CB-CD1 3.51Å; A343-L381 HydrophobicContact CB-CG 3.67Å; I346-L381 HydrophobicContact CD1-CD1 3.99Å; I346-L381 HydrophobicContact CG1-CD1 4.48Å; V347-L381 HydrophobicContact CG2-CD2 3.32Å; V347-L381 HydrophobicContact CG2-CG 3.94Å; L378-L381 PolarHBondContact O-N 3.42Å; D379-L381 VanDerWaalsContact C-N 3.27Å; D379-L381 PolarHBondContact O-N 3.44Å; L381-M413 HydrophobicContact CD1-SD 4.17Å; L381-M413 HydrophobicContact CD2-CE 3.65Å; L381-M413 HydrophobicContact CD2-SD 3.47Å; L381-M413 WeakPolarHBondContact CD2-SD 3.11Å; L381-K414 WeakPolarHBondContact O-CD 3.19Å; L381-K414 WeakPolarHBondContact O-CE 3.27Å; L381-K414 PolarHBondContact O-NZ 3.15Å
382	M	81.3	Confident	69.6	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-113.9	19.6	-162.8	-68.8	-68.1	-173.2	0	0	114	L378 K414 L417 L443 D444 M447	L378-M382 HydrophobicContact CD1-CB 4.31Å; L378-M382 HydrophobicContact CD1-CG 3.77Å; L378-M382 HydrophobicContact CG-CB 4.18Å; L378-M382 HydrophobicContact CG-CG 4.17Å; L378-M382 PolarHBondContact O-N 3.35Å; M382-K414 HydrophobicContact CE-CB 3.82Å; M382-K414 HydrophobicContact CE-CG 4.07Å; M382-K414 HydrophobicContact SD-CB 3.89Å; M382-K414 HydrophobicContact SD-CD 3.85Å; M382-K414 HydrophobicContact SD-CG 3.73Å; M382-L417 HydrophobicContact CE-CB 4.01Å; M382-L417 HydrophobicContact CE-CD2 3.68Å; M382-L417 HydrophobicContact CE-CG 4.06Å; M382-L443 HydrophobicContact CB-CD2 4.06Å; M382-D444 PolarHBondContact O-N 2.95Å; M382-M447 HydrophobicContact CB-CG 4.06Å; M382-M447 HydrophobicContact CE-CE 4.43Å; M382-M447 HydrophobicContact CE-CG 3.88Å; M382-M447 HydrophobicContact CE-SD 3.55Å; M382-M447 VanDerWaalsContact CE-SD 3.55Å; M382-M447 HydrophobicContact CG-CG 3.64Å; M382-M447 HydrophobicContact CG-SD 4.28Å; M382-M447 HydrophobicContact SD-CG 3.49Å; M382-M447 WeakPolarHBondContact SD-CG 3.34Å; M382-M447 HydrophobicContact SD-SD 4.04Å
383	S	76.9	Confident	66.9	Low	17 Å²	17	63.6 Å²	63.6	12%	0.119	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-60.9	137.5	170.8	31.6	0	0	0	0	112.4	D379 R385 K414 E442	D379-S383 WeakPolarHBondContact O-CB 3.39Å; D379-S383 PolarHBondContact O-N 3.35Å; D379-S383 VanDerWaalsContact O-N 3.08Å; D379-S383 PolarHBondContact O-OG 3.27Å; S383-R385 PolarHBondContact O-N 3.16Å; S383-K414 PolarHBondContact O-NZ 3.43Å; S383-E442 CarbonylContact C-O 3.47Å; S383-E442 VanDerWaalsContact CA-O 3.24Å; S383-E442 WeakPolarHBondContact CA-O 3.29Å
384	Q	66.1	Low	64	Low	65 Å²	65	70.2 Å²	70.2	30%	0.304	43%	0.43	S	S	.	.			trans	-74.9	63.1	175.1	-60.7	-175	25.9	0	0	112.2	G386 S387 E442 L443 D444 H445	Q384-G386 PolarHBondContact O-N 3.46Å; Q384-S387 VanDerWaalsContact CB-OG 3.27Å; Q384-S387 WeakPolarHBondContact CB-OG 3.3Å; Q384-S387 PolarHBondContact O-N 3.2Å; Q384-S387 PolarHBondContact O-OG 2.63Å; Q384-S387 PolarHBondContact OE1-OG 2.92Å; Q384-E442 WeakPolarHBondContact CG-O 3.33Å; Q384-E442 PolarHBondContact N-O 2.9Å; Q384-L443 PolarHBondContact NE2-O 2.8Å; Q384-D444 HydrophobicContact CG-CB 4.41Å; Q384-H445 PolarHBondContact NE2-CD2 2.7Å; Q384-H445 PolarHBondContact NE2-NE2 3.47Å
385	R	57.9	Low	61.1	Low	168 Å²	168	73.5 Å²	73.5	63%	0.634	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	42.3	-177.4	-93.6	-173.5	172.8	-161	-1.5	114.9	S383 E406	S383-R385 PolarHBondContact O-N 3.16Å; R385-E406 HydrophobicContact CB-CG 3.75Å
386	G	48.8	Very low	58.1	Low	65 Å²	65	77.9 Å²	77.9	67%	0.67	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-161.3	-4.9	176.7	0	0	0	0	0	115.8	Q384	Q384-G386 PolarHBondContact O-N 3.46Å
387	S	42.2	Very low	55.2	Low	61 Å²	61	79.8 Å²	79.8	43%	0.427	54%	0.535	S	S	.	.			trans	-86.5	117	177.4	44.6	0	0	0	0	111.7	Q384 S389	Q384-S387 VanDerWaalsContact CB-OG 3.27Å; Q384-S387 WeakPolarHBondContact CB-OG 3.3Å; Q384-S387 PolarHBondContact O-N 3.2Å; Q384-S387 PolarHBondContact O-OG 2.63Å; Q384-S387 PolarHBondContact OE1-OG 2.92Å; S387-S389 PolarHBondContact O-N 3.32Å
388	I	35.2	Very low	52.4	Low	172 Å²	172	84.7 Å²	84.7	88%	0.882	56%	0.563	S	S	*	*			trans	-70.9	104.7	172.1	-67.9	162.4	0	0	0	108.8
389	S	42.2	Very low	49.7	Very low	102 Å²	102	89.5 Å²	89.5	71%	0.713	60%	0.597	S	S	*	*			trans	-162.9	129.2	156.3	55.2	0	0	0	0	110.1	S387	S387-S389 PolarHBondContact O-N 3.32Å
390	G	34.4	Very low	47	Very low	75 Å²	75	96.5 Å²	96.5	77%	0.773	63%	0.634	S	S	*	*			cis	110.2	24.2	3.6	0	0	0	0	0	115
391	Y	35.4	Very low	44.7	Very low	242 Å²	242	101.6 Å²	101.6	95%	0.949	66%	0.656	S	S	*	*	S	Bend	trans	-106.1	118	155.4	-90.8	-90.1	0	0	0	108.5
392	G	33.9	Very low	42.5	Very low	78 Å²	78	105.9 Å²	105.9	80%	0.804	69%	0.686	S	S	*	*	S	Bend	trans	119.6	-8.2	167.9	0	0	0	0	0	118.3
393	S	36.4	Very low	40.8	Very low	122 Å²	122	111.9 Å²	111.9	85%	0.853	72%	0.723	S	S	*	*			trans	-141.5	99.1	176.1	-76.8	0	0	0	0	113.4	G395	S393-G395 PolarHBondContact O-N 2.88Å
394	S	31.7	Very low	39.3	Very low	138 Å²	138	114 Å²	114	97%	0.965	75%	0.747	S	S	*	*			trans	-78.7	99.3	163	-179.4	0	0	0	0	108.7
395	G	33	Very low	38.8	Very low	70 Å²	70	116.5 Å²	116.5	72%	0.722	76%	0.762	S	S	*	*			trans	-155.8	96.6	-179.5	0	0	0	0	0	110.6	S393	S393-G395 PolarHBondContact O-N 2.88Å
396	G	29.3	Very low	39.2	Very low	94 Å²	94	110.6 Å²	110.6	97%	0.969	74%	0.742	S	S	*	*			trans	-72.2	128.5	-175.6	0	0	0	0	0	113
397	G	32.5	Very low	40.4	Very low	62 Å²	62	112.1 Å²	112.1	64%	0.639	73%	0.731	S	S	*	*			trans	-163.3	130.8	173.4	0	0	0	0	0	111	S399	G397-S399 PolarHBondContact O-N 3.29Å; G397-S399 VanDerWaalsContact O-N 3.09Å
398	N	32.1	Very low	42.1	Very low	176 Å²	176	114 Å²	114	94%	0.941	73%	0.734	S	S	*	*			trans	-75	98.3	-173.9	-71.3	-29.6	0	0	0	111.9
399	S	36.1	Very low	44.2	Very low	100 Å²	100	107 Å²	107	70%	0.699	70%	0.703	S	S	*	*			trans	-108.1	77.1	174.9	60.4	0	0	0	0	112.7	G397 I401	G397-S399 PolarHBondContact O-N 3.29Å; G397-S399 VanDerWaalsContact O-N 3.09Å; S399-I401 PolarHBondContact O-N 3.34Å
400	N	32.7	Very low	46	Very low	165 Å²	165	102.9 Å²	102.9	88%	0.882	68%	0.675	S	S	*	*			trans	-67.5	72.8	155.5	-79.7	-27	0	0	0	109.2
401	I	38	Very low	48.4	Very low	156 Å²	156	103.9 Å²	103.9	80%	0.8	66%	0.655	S	S	*	*			trans	175	106	161.1	-92.4	147.6	0	0	0	108.8	S399	S399-I401 PolarHBondContact O-N 3.34Å
402	S	37.3	Very low	50.8	Low	94 Å²	94	98.6 Å²	98.6	66%	0.657	63%	0.634	S	S	*	*			trans	-156.9	20.2	146.9	80.3	0	0	0	0	113.2	G404	S402-G404 PolarHBondContact O-N 3.23Å
403	V	44.6	Very low	53.4	Low	127 Å²	127	95 Å²	95	77%	0.77	60%	0.596	S	S	*	*			trans	-71.7	-13.3	175.6	-175.8	0	0	0	0	111.6
404	G	46	Very low	55.9	Low	61 Å²	61	90.2 Å²	90.2	63%	0.629	56%	0.56	S	S	*	*			trans	-96.9	101.3	-178.7	0	0	0	0	0	113.8	S402	S402-G404 PolarHBondContact O-N 3.23Å
405	N	55.5	Low	58.7	Low	118 Å²	118	87.3 Å²	87.3	63%	0.631	54%	0.536	S	S	*	.	S	Bend	trans	-177.5	-6.5	135.2	-102.1	-16.1	0	0	0	113.9	H407	N405-H407 PolarHBondContact O-N 3.22Å
406	E	65.5	Low	61.5	Low	44 Å²	44	84.2 Å²	84.2	21%	0.206	50%	0.503	C	S	.	.	S	Bend	trans	-70.3	115.3	163.5	-66.7	-165.5	130.2	0	0	110	R385 R411 K414	R385-E406 HydrophobicContact CB-CG 3.75Å; E406-R411 HydrophobicContact CB-CG 4.31Å; E406-R411 IonicContact OE2-CZ 3.69Å; E406-R411 IonicContact OE2-NE 2.76Å; E406-R411 PolarHBondContact OE2-NE 2.78Å; E406-R411 IonicContact OE2-NH2 3.2Å; E406-R411 PolarHBondContact OE2-NH2 2.84Å; E406-K414 WeakPolarHBondContact OE1-CE 3.38Å; E406-K414 IonicContact OE1-NZ 2.78Å; E406-K414 PolarHBondContact OE1-NZ 3.49Å
407	H	74	Confident	64.5	Low	97 Å²	97	80.1 Å²	80.1	45%	0.449	46%	0.459	S	S	.	.			trans	-70.5	138.9	174	-56.4	-69.9	0	0	0	110.5	R351 N405 G409 S410 R411	R351-H407 PolarHBondContact NH2-CD2 3.28Å; R351-H407 PolarHBondContact NH2-CE1 3Å; R351-H407 PolarHBondContact NH2-NE2 2.95Å; N405-H407 PolarHBondContact O-N 3.22Å; H407-G409 PolarHBondContact O-N 3.42Å; H407-G409 VanDerWaalsContact O-N 3.15Å; H407-S410 WeakPolarHBondContact O-CA 3.44Å; H407-S410 VanDerWaalsContact O-CB 3.29Å; H407-S410 WeakPolarHBondContact O-CB 3.16Å; H407-S410 PolarHBondContact O-N 2.89Å; H407-R411 PolarHBondContact O-N 3.19Å
408	E	78.7	Confident	67.4	Low	101 Å²	101	78.3 Å²	78.3	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-51.4	-39.8	-180	175.6	61.7	-176.1	0	0	113.5	S410 R411 R412	E408-S410 VanDerWaalsContact C-N 3.29Å; E408-S410 PolarHBondContact O-N 3.32Å; E408-R411 PolarHBondContact O-N 3.09Å; E408-R411 VanDerWaalsContact O-N 3.14Å; E408-R412 PolarHBondContact O-N 3.36Å; E408-R412 IonicContact OE1-CZ 2.68Å; E408-R412 IonicContact OE1-NE 2.73Å; E408-R412 PolarHBondContact OE1-NE 2.95Å; E408-R412 IonicContact OE1-NH2 2.71Å; E408-R412 PolarHBondContact OE1-NH2 3.2Å
409	G	78.7	Confident	70.3	Confident	24 Å²	24	74.5 Å²	74.5	25%	0.247	41%	0.412	C	S	.	.	H	α-helix	trans	-63.8	-29.2	175	0	0	0	0	0	114.2	S354 H407 M413	S354-G409 PolarHBondContact OG-O 3.18Å; H407-G409 PolarHBondContact O-N 3.42Å; H407-G409 VanDerWaalsContact O-N 3.15Å; G409-M413 WeakPolarHBondContact O-CB 3.39Å; G409-M413 PolarHBondContact O-N 3.07Å
410	S	81.3	Confident	73	Confident	16 Å²	16	71 Å²	71	11%	0.112	38%	0.384	C	S	.	.	H	α-helix	trans	-70.2	-45	170.4	173.5	0	0	0	0	110.6	H407 E408 R412 M413 K414	H407-S410 WeakPolarHBondContact O-CA 3.44Å; H407-S410 VanDerWaalsContact O-CB 3.29Å; H407-S410 WeakPolarHBondContact O-CB 3.16Å; H407-S410 PolarHBondContact O-N 2.89Å; E408-S410 VanDerWaalsContact C-N 3.29Å; E408-S410 PolarHBondContact O-N 3.32Å; S410-R412 PolarHBondContact O-N 3.37Å; S410-M413 CarbonylContact O-C 3.58Å; S410-M413 WeakPolarHBondContact O-CA 3.47Å; S410-M413 WeakPolarHBondContact O-CB 3.34Å; S410-M413 PolarHBondContact O-N 3.11Å; S410-M413 VanDerWaalsContact O-N 3.12Å; S410-K414 WeakPolarHBondContact O-CG 3.14Å; S410-K414 PolarHBondContact O-N 3.44Å
411	R	83.4	Confident	75.9	Confident	97 Å²	97	63.7 Å²	63.7	37%	0.366	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-43.9	179.5	-70	-174.9	163.8	175.3	-2.3	113.1	E406 H407 E408 K414 T415	E406-R411 HydrophobicContact CB-CG 4.31Å; E406-R411 IonicContact OE2-CZ 3.69Å; E406-R411 IonicContact OE2-NE 2.76Å; E406-R411 PolarHBondContact OE2-NE 2.78Å; E406-R411 IonicContact OE2-NH2 3.2Å; E406-R411 PolarHBondContact OE2-NH2 2.84Å; H407-R411 PolarHBondContact O-N 3.19Å; E408-R411 PolarHBondContact O-N 3.09Å; E408-R411 VanDerWaalsContact O-N 3.14Å; R411-K414 PolarHBondContact O-N 3.25Å; R411-T415 PolarHBondContact O-N 3.08Å; R411-T415 PolarHBondContact O-OG1 3.45Å
412	R	87.1	Confident	78.5	Confident	130 Å²	130	58.8 Å²	58.8	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-42.7	174.4	-64.6	179.9	-164.7	177	2.9	111.8	E408 S410 K414 T415 E416	E408-R412 PolarHBondContact O-N 3.36Å; E408-R412 IonicContact OE1-CZ 2.68Å; E408-R412 IonicContact OE1-NE 2.73Å; E408-R412 PolarHBondContact OE1-NE 2.95Å; E408-R412 IonicContact OE1-NH2 2.71Å; E408-R412 PolarHBondContact OE1-NH2 3.2Å; S410-R412 PolarHBondContact O-N 3.37Å; R412-K414 PolarHBondContact O-N 3.46Å; R412-T415 PolarHBondContact O-N 3.05Å; R412-E416 PolarHBondContact O-N 3.31Å
413	M	87.5	Confident	81	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-42.2	174.1	-163.9	-159.4	-29	0	0	112.7	I346 V347 V358 L381 G409 S410 E416 L417	I346-M413 HydrophobicContact CB-CE 4.25Å; I346-M413 HydrophobicContact CB-SD 3.84Å; I346-M413 HydrophobicContact CD1-SD 4.38Å; I346-M413 HydrophobicContact CG2-CE 3.92Å; I346-M413 HydrophobicContact CG2-SD 3.4Å; I346-M413 WeakPolarHBondContact CG2-SD 3.39Å; V347-M413 HydrophobicContact CG2-CE 4.03Å; V358-M413 HydrophobicContact CG2-CG 3.69Å; V358-M413 HydrophobicContact CG2-SD 4.46Å; L381-M413 HydrophobicContact CD1-SD 4.17Å; L381-M413 HydrophobicContact CD2-CE 3.65Å; L381-M413 HydrophobicContact CD2-SD 3.47Å; L381-M413 WeakPolarHBondContact CD2-SD 3.11Å; G409-M413 WeakPolarHBondContact O-CB 3.39Å; G409-M413 PolarHBondContact O-N 3.07Å; S410-M413 CarbonylContact O-C 3.58Å; S410-M413 WeakPolarHBondContact O-CA 3.47Å; S410-M413 WeakPolarHBondContact O-CB 3.34Å; S410-M413 PolarHBondContact O-N 3.11Å; S410-M413 VanDerWaalsContact O-N 3.12Å; M413-E416 PolarHBondContact O-N 3.22Å; M413-L417 WeakPolarHBondContact O-CB 3.35Å; M413-L417 PolarHBondContact O-N 3.1Å
414	K	88.9	Confident	83.1	Confident	21 Å²	21	49.7 Å²	49.7	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175.2	-61.8	-167.5	-157.9	-159.5	0	110.8	L381 M382 S383 E406 S410 R411 R412 E416 L417 L418	L381-K414 WeakPolarHBondContact O-CD 3.19Å; L381-K414 WeakPolarHBondContact O-CE 3.27Å; L381-K414 PolarHBondContact O-NZ 3.15Å; M382-K414 HydrophobicContact CE-CB 3.82Å; M382-K414 HydrophobicContact CE-CG 4.07Å; M382-K414 HydrophobicContact SD-CB 3.89Å; M382-K414 HydrophobicContact SD-CD 3.85Å; M382-K414 HydrophobicContact SD-CG 3.73Å; S383-K414 PolarHBondContact O-NZ 3.43Å; E406-K414 WeakPolarHBondContact OE1-CE 3.38Å; E406-K414 IonicContact OE1-NZ 2.78Å; E406-K414 PolarHBondContact OE1-NZ 3.49Å; S410-K414 WeakPolarHBondContact O-CG 3.14Å; S410-K414 PolarHBondContact O-N 3.44Å; R411-K414 PolarHBondContact O-N 3.25Å; R412-K414 PolarHBondContact O-N 3.46Å; K414-E416 PolarHBondContact O-N 3.37Å; K414-L417 PolarHBondContact O-N 2.91Å; K414-L418 VanDerWaalsContact O-CG 3.32Å; K414-L418 WeakPolarHBondContact O-CG 3.19Å; K414-L418 PolarHBondContact O-N 3.47Å
415	T	89.9	Confident	85	Confident	76 Å²	76	50 Å²	50	47%	0.466	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-44.9	179.6	-52.4	0	0	0	0	111.3	R411 R412 L418 M419	R411-T415 PolarHBondContact O-N 3.08Å; R411-T415 PolarHBondContact O-OG1 3.45Å; R412-T415 PolarHBondContact O-N 3.05Å; T415-L418 PolarHBondContact O-N 3.24Å; T415-M419 HydrophobicContact CG2-CE 4.3Å; T415-M419 WeakPolarHBondContact O-CG 3.32Å; T415-M419 PolarHBondContact O-N 3.18Å
416	E	91.8	Very high	86.4	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-43.5	178	-172.1	58.4	-151.7	0	0	112.5	E355 V358 R359 R412 M413 K414 L418 M419 Q420	E355-E416 HydrophobicContact CG-CB 4.11Å; E355-E416 HydrophobicContact CG-CG 4.21Å; V358-E416 HydrophobicContact CB-CG 4.05Å; V358-E416 HydrophobicContact CG1-CB 4.36Å; V358-E416 HydrophobicContact CG1-CG 3.88Å; R359-E416 HydrophobicContact CG-CG 3.94Å; R359-E416 WeakPolarHBondContact CG-OE1 3.3Å; R359-E416 IonicContact CZ-OE1 3.18Å; R359-E416 IonicContact CZ-OE2 2.63Å; R359-E416 VanDerWaalsContact CZ-OE2 3.24Å; R359-E416 IonicContact NE-OE1 3.14Å; R359-E416 PolarHBondContact NE-OE1 3.26Å; R359-E416 IonicContact NE-OE2 3.73Å; R359-E416 PolarHBondContact NE-OE2 3.25Å; R359-E416 VanDerWaalsContact NE-OE2 3.14Å; R359-E416 IonicContact NH2-OE1 2.69Å; R359-E416 IonicContact NH2-OE2 2.61Å; R359-E416 PolarHBondContact NH2-OE2 3.02Å; R412-E416 PolarHBondContact O-N 3.31Å; M413-E416 PolarHBondContact O-N 3.22Å; K414-E416 PolarHBondContact O-N 3.37Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å; E416-M419 PolarHBondContact O-N 3.35Å; E416-M419 WeakPolarHBondContact OE2-CE 3.22Å; E416-Q420 HydrophobicContact CG-CG 4.37Å; E416-Q420 WeakPolarHBondContact O-CG 3.19Å; E416-Q420 PolarHBondContact O-N 3.46Å; E416-Q420 PolarHBondContact OE1-NE2 2.96Å
417	L	92.5	Very high	87.3	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-41.2	177.9	-179.8	52.8	0	0	0	111.5	V358 F362 L375 M382 M413 K414 Q420 M421 L433	V358-L417 HydrophobicContact CG1-CB 4.17Å; V358-L417 HydrophobicContact CG1-CD1 4.35Å; F362-L417 HydrophobicContact CE2-CD1 3.55Å; F362-L417 HydrophobicContact CZ-CD1 3.51Å; L375-L417 HydrophobicContact CD1-CD1 4.15Å; L375-L417 HydrophobicContact CD1-CD2 3.8Å; M382-L417 HydrophobicContact CE-CB 4.01Å; M382-L417 HydrophobicContact CE-CD2 3.68Å; M382-L417 HydrophobicContact CE-CG 4.06Å; M413-L417 WeakPolarHBondContact O-CB 3.35Å; M413-L417 PolarHBondContact O-N 3.1Å; K414-L417 PolarHBondContact O-N 2.91Å; L417-Q420 PolarHBondContact O-N 2.72Å; L417-M421 HydrophobicContact CD1-CG 4.48Å; L417-M421 WeakPolarHBondContact O-CG 3.3Å; L417-M421 PolarHBondContact O-N 3.45Å; L417-L433 HydrophobicContact CD1-CD1 4.43Å
418	L	93.2	Very high	87.8	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-43.3	173.6	-69.9	165.7	0	0	0	112.2	K414 T415 E416 M421 D422 A446 M447 R450	K414-L418 VanDerWaalsContact O-CG 3.32Å; K414-L418 WeakPolarHBondContact O-CG 3.19Å; K414-L418 PolarHBondContact O-N 3.47Å; T415-L418 PolarHBondContact O-N 3.24Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.95Å; L418-M421 PolarHBondContact O-N 3.11Å; L418-D422 PolarHBondContact O-N 2.76Å; L418-A446 HydrophobicContact CD1-CB 4.12Å; L418-A446 HydrophobicContact CD2-CB 3.91Å; L418-M447 HydrophobicContact CD2-CG 3.9Å; L418-M447 HydrophobicContact CD2-SD 3.42Å; L418-M447 WeakPolarHBondContact CD2-SD 3.46Å; L418-M447 HydrophobicContact CG-SD 4.06Å; L418-R450 PolarHBondContact O-NE 3Å
419	M	92.8	Very high	88	Confident	96 Å²	96	52.7 Å²	52.7	47%	0.473	28%	0.28	S	S	.	.	H	α-helix	trans	-67.9	-38.7	177.8	-69.9	-170.8	-56.5	0	0	112.7	T415 E416 D422 G423	T415-M419 HydrophobicContact CG2-CE 4.3Å; T415-M419 WeakPolarHBondContact O-CG 3.32Å; T415-M419 PolarHBondContact O-N 3.18Å; E416-M419 PolarHBondContact O-N 3.35Å; E416-M419 WeakPolarHBondContact OE2-CE 3.22Å; M419-D422 PolarHBondContact O-N 3.42Å; M419-G423 PolarHBondContact O-N 3.37Å
420	Q	93.6	Very high	88.5	Confident	25 Å²	25	57.2 Å²	57.2	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-67.6	-36.8	176.7	-70.4	-61.5	-26.5	0	0	112.2	V358 F362 E416 L417 G423 L424	V358-Q420 HydrophobicContact CG1-CG 4.24Å; F362-Q420 HydrophobicContact CB-CB 4.28Å; F362-Q420 HydrophobicContact CB-CG 4.22Å; F362-Q420 HydrophobicContact CD1-CB 3.58Å; F362-Q420 HydrophobicContact CD1-CG 4.42Å; F362-Q420 HydrophobicContact CD2-CB 3.95Å; F362-Q420 HydrophobicContact CD2-CG 4.23Å; F362-Q420 HydrophobicContact CE1-CB 3.71Å; F362-Q420 HydrophobicContact CE2-CB 4.1Å; F362-Q420 HydrophobicContact CG-CB 3.68Å; F362-Q420 HydrophobicContact CG-CG 4.05Å; F362-Q420 HydrophobicContact CZ-CB 3.97Å; E416-Q420 HydrophobicContact CG-CG 4.37Å; E416-Q420 WeakPolarHBondContact O-CG 3.19Å; E416-Q420 PolarHBondContact O-N 3.46Å; E416-Q420 PolarHBondContact OE1-NE2 2.96Å; L417-Q420 PolarHBondContact O-N 2.72Å; Q420-G423 WeakPolarHBondContact O-CA 3.33Å; Q420-G423 PolarHBondContact O-N 2.83Å; Q420-L424 PolarHBondContact O-N 2.69Å
421	M	92.9	Very high	89	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-42.7	170.8	-72.3	-174.6	83.2	0	0	112.3	F362 L417 L418 G423 L424 A425 L433 M447 R450 L451	F362-M421 HydrophobicContact CZ-CG 4.46Å; L417-M421 HydrophobicContact CD1-CG 4.48Å; L417-M421 WeakPolarHBondContact O-CG 3.3Å; L417-M421 PolarHBondContact O-N 3.45Å; L418-M421 PolarHBondContact O-N 3.11Å; M421-G423 PolarHBondContact O-N 2.63Å; M421-L424 PolarHBondContact O-N 3.25Å; M421-L424 VanDerWaalsContact O-N 3.16Å; M421-A425 PolarHBondContact O-N 2.93Å; M421-L433 HydrophobicContact CE-CD1 4.15Å; M421-L433 HydrophobicContact CE-CD2 4.1Å; M421-L433 HydrophobicContact CG-CD1 3.94Å; M421-L433 HydrophobicContact SD-CD1 4.1Å; M421-M447 HydrophobicContact CE-CE 4.47Å; M421-M447 HydrophobicContact SD-CE 3.57Å; M421-M447 VanDerWaalsContact SD-CE 3.57Å; M421-M447 HydrophobicContact SD-SD 4Å; M421-R450 HydrophobicContact CE-CB 3.61Å; M421-R450 WeakPolarHBondContact CE-O 3.17Å; M421-R450 HydrophobicContact SD-CB 4.14Å; M421-L451 HydrophobicContact CE-CD2 3.82Å; M421-L451 HydrophobicContact CE-CG 4.3Å
422	D	92.6	Very high	89.4	Confident	54 Å²	54	52.8 Å²	52.8	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-23.7	173.3	-73.6	-15.8	0	0	0	113.1	L418 M419 K426 R450	L418-D422 PolarHBondContact O-N 2.76Å; M419-D422 PolarHBondContact O-N 3.42Å; D422-K426 VanDerWaalsContact O-CD 3.28Å; D422-K426 WeakPolarHBondContact O-CD 3.21Å; D422-K426 WeakPolarHBondContact O-CE 3.31Å; D422-K426 WeakPolarHBondContact O-CG 3.47Å; D422-R450 VanDerWaalsContact CG-NH2 3.25Å; D422-R450 IonicContact OD1-CZ 2.77Å; D422-R450 VanDerWaalsContact OD1-CZ 3.24Å; D422-R450 IonicContact OD1-NE 3.62Å; D422-R450 PolarHBondContact OD1-NE 2.78Å; D422-R450 IonicContact OD1-NH2 3.05Å; D422-R450 PolarHBondContact OD1-NH2 2.78Å; D422-R450 IonicContact OD2-CZ 3.24Å; D422-R450 IonicContact OD2-NE 2.85Å; D422-R450 IonicContact OD2-NH2 2.72Å; D422-R450 PolarHBondContact OD2-NH2 3.03Å
423	G	90.4	Very high	89.8	Confident	27 Å²	27	46.7 Å²	46.7	28%	0.278	26%	0.256	S	S	.	.	H	α-helix	trans	-72.6	-50	169.7	0	0	0	0	0	112.5	M419 Q420 M421 A425 K426 S427	M419-G423 PolarHBondContact O-N 3.37Å; Q420-G423 WeakPolarHBondContact O-CA 3.33Å; Q420-G423 PolarHBondContact O-N 2.83Å; M421-G423 PolarHBondContact O-N 2.63Å; G423-A425 VanDerWaalsContact C-N 3.28Å; G423-A425 PolarHBondContact O-N 3.49Å; G423-K426 PolarHBondContact O-N 3.47Å; G423-K426 VanDerWaalsContact O-N 3.09Å; G423-S427 PolarHBondContact O-N 2.85Å; G423-S427 PolarHBondContact O-OG 3.33Å
424	L	88.6	Confident	90.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-31.5	178.7	-70.5	-171.1	0	0	0	113.8	K311 F362 R366 Q420 M421 K426 D429 V431	K311-L424 PolarHBondContact NZ-O 2.92Å; F362-L424 HydrophobicContact CD1-CD1 3.75Å; F362-L424 HydrophobicContact CD1-CD2 4.45Å; F362-L424 HydrophobicContact CD1-CG 3.94Å; F362-L424 HydrophobicContact CE1-CD1 3.51Å; F362-L424 HydrophobicContact CE1-CG 4.01Å; R366-L424 HydrophobicContact CG-CD2 4.38Å; Q420-L424 PolarHBondContact O-N 2.69Å; M421-L424 PolarHBondContact O-N 3.25Å; M421-L424 VanDerWaalsContact O-N 3.16Å; L424-K426 PolarHBondContact O-N 2.87Å; L424-D429 HydrophobicContact CD2-CB 4.22Å; L424-V431 HydrophobicContact CD1-CB 4.12Å; L424-V431 HydrophobicContact CD1-CG1 3.69Å; L424-V431 HydrophobicContact CD2-CB 3.86Å; L424-V431 HydrophobicContact CD2-CG1 4.15Å; L424-V431 HydrophobicContact CD2-CG2 4.42Å
425	A	85.1	Confident	90.4	Very high	68 Å²	68	45.5 Å²	45.5	56%	0.562	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.9	175.7	0	0	0	0	0	113.7	M421 G423	M421-A425 PolarHBondContact O-N 2.93Å; G423-A425 VanDerWaalsContact C-N 3.28Å; G423-A425 PolarHBondContact O-N 3.49Å
426	K	85.8	Confident	90.7	Very high	178 Å²	178	41.9 Å²	41.9	77%	0.774	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-3.3	-177.9	-66	172.2	-169.5	160	0	113.8	D422 G423 L424	D422-K426 VanDerWaalsContact O-CD 3.28Å; D422-K426 WeakPolarHBondContact O-CD 3.21Å; D422-K426 WeakPolarHBondContact O-CE 3.31Å; D422-K426 WeakPolarHBondContact O-CG 3.47Å; G423-K426 PolarHBondContact O-N 3.47Å; G423-K426 VanDerWaalsContact O-N 3.09Å; L424-K426 PolarHBondContact O-N 2.87Å
427	S	85	Confident	90.9	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	23%	0.227	C	C	.	.	S	Bend	trans	-113.5	150.5	-179	59.8	0	0	0	0	111.4	K311 G423 D429	K311-S427 PolarHBondContact NZ-O 2.93Å; G423-S427 PolarHBondContact O-N 2.85Å; G423-S427 PolarHBondContact O-OG 3.33Å; S427-D429 VanDerWaalsContact CB-OD2 3.25Å; S427-D429 WeakPolarHBondContact CB-OD2 3.49Å; S427-D429 PolarHBondContact O-N 3.35Å; S427-D429 VanDerWaalsContact O-N 3.13Å; S427-D429 WeakPolarHBondContact OG-CB 3.48Å; S427-D429 PolarHBondContact OG-OD2 2.68Å
428	D	83.1	Confident	90.9	Very high	163 Å²	163	43.2 Å²	43.2	87%	0.872	24%	0.236	S	C	*	.			trans	-75.7	10	172.3	-56.7	-56.7	0	0	0	112.7	L430	D428-L430 PolarHBondContact O-N 3.3Å
429	D	84.6	Confident	90.9	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.241	24%	0.243	C	C	.	.			trans	-52.8	126.5	175.5	-66.4	-38.8	0	0	0	110.5	K311 R366 L424 S427 V431	K311-D429 PolarHBondContact NZ-O 3.26Å; R366-D429 WeakPolarHBondContact CD-OD2 3.4Å; R366-D429 HydrophobicContact CG-CB 4.4Å; R366-D429 WeakPolarHBondContact CG-OD2 3.28Å; R366-D429 IonicContact CZ-OD2 2.76Å; R366-D429 IonicContact NE-OD2 3.29Å; R366-D429 PolarHBondContact NE-OD2 3.17Å; L424-D429 HydrophobicContact CD2-CB 4.22Å; S427-D429 VanDerWaalsContact CB-OD2 3.25Å; S427-D429 WeakPolarHBondContact CB-OD2 3.49Å; S427-D429 PolarHBondContact O-N 3.35Å; S427-D429 VanDerWaalsContact O-N 3.13Å; S427-D429 WeakPolarHBondContact OG-CB 3.48Å; S427-D429 PolarHBondContact OG-OD2 2.68Å; D429-V431 HydrophobicContact CB-CB 4.46Å; D429-V431 HydrophobicContact CB-CG2 4.17Å; D429-V431 PolarHBondContact O-N 3.31Å
430	L	87.9	Confident	90.9	Very high	119 Å²	119	40 Å²	40	62%	0.623	22%	0.22	S	C	*	.			trans	-78	46.6	172.2	-60.2	179.7	0	0	0	111.6	A369 P370 S371 D428	A369-L430 HydrophobicContact CB-CB 4.4Å; P370-L430 CarbonylContact C-O 3.59Å; P370-L430 VanDerWaalsContact CA-O 3.24Å; P370-L430 WeakPolarHBondContact CA-O 3.43Å; P370-L430 HydrophobicContact CB-CB 3.88Å; P370-L430 HydrophobicContact CB-CD1 4.4Å; S371-L430 PolarHBondContact N-O 2.95Å; D428-L430 PolarHBondContact O-N 3.3Å
431	V	91.3	Very high	90.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.8	175.3	-178.4	0	0	0	0	108.6	A365 R366 A369 S371 I373 L424 D429	A365-V431 HydrophobicContact CB-CG1 3.86Å; A365-V431 HydrophobicContact CB-CG2 4.22Å; A365-V431 WeakPolarHBondContact O-CG2 3.48Å; R366-V431 HydrophobicContact CG-CG2 4.19Å; A369-V431 HydrophobicContact CB-CG2 4.29Å; S371-V431 WeakPolarHBondContact O-CA 3.37Å; I373-V431 HydrophobicContact CD1-CG1 3.85Å; I373-V431 HydrophobicContact CG1-CG1 4.09Å; L424-V431 HydrophobicContact CD1-CB 4.12Å; L424-V431 HydrophobicContact CD1-CG1 3.69Å; L424-V431 HydrophobicContact CD2-CB 3.86Å; L424-V431 HydrophobicContact CD2-CG1 4.15Å; L424-V431 HydrophobicContact CD2-CG2 4.42Å; D429-V431 HydrophobicContact CB-CB 4.46Å; D429-V431 HydrophobicContact CB-CG2 4.17Å; D429-V431 PolarHBondContact O-N 3.31Å
432	F	92.5	Very high	90.7	Very high	19 Å²	19	44.6 Å²	44.6	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.9	179.4	176	-107.9	0	0	0	110.1	V293 W310 L313 S371 T372 I373 L434	V293-F432 HydrophobicContact CB-CE1 4.35Å; V293-F432 HydrophobicContact CB-CZ 4.44Å; V293-F432 HydrophobicContact CG1-CD1 3.77Å; V293-F432 HydrophobicContact CG1-CE1 3.88Å; V293-F432 HydrophobicContact CG1-CG 4.1Å; V293-F432 HydrophobicContact CG1-CZ 4.3Å; V293-F432 HydrophobicContact CG2-CD1 4.2Å; V293-F432 HydrophobicContact CG2-CE1 3.46Å; V293-F432 VanDerWaalsContact CG2-CE1 3.46Å; V293-F432 HydrophobicContact CG2-CE2 3.94Å; V293-F432 HydrophobicContact CG2-CZ 3.3Å; W310-F432 VanDerWaalsContact O-CD2 3.31Å; W310-F432 WeakPolarHBondContact O-CD2 3.42Å; W310-F432 WeakPolarHBondContact O-CE2 3.44Å; L313-F432 HydrophobicContact CB-CE1 4.48Å; L313-F432 HydrophobicContact CB-CE2 4.04Å; L313-F432 HydrophobicContact CB-CZ 3.49Å; L313-F432 VanDerWaalsContact CB-CZ 3.49Å; L313-F432 HydrophobicContact CD1-CZ 4.12Å; L313-F432 HydrophobicContact CG-CZ 4.41Å; S371-F432 PolarHBondContact O-N 3.04Å; T372-F432 WeakPolarHBondContact CA-O 3.46Å; T372-F432 HydrophobicContact CG2-CD1 4.2Å; I373-F432 PolarHBondContact N-O 2.99Å; F432-L434 HydrophobicContact CD1-CB 4.42Å; F432-L434 HydrophobicContact CE1-CB 3.9Å; F432-L434 HydrophobicContact CE1-CD1 4.18Å; F432-L434 HydrophobicContact CE1-CG 4.48Å; F432-L434 HydrophobicContact CZ-CD1 4.46Å
433	L	94.7	Very high	90.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.2	176.8	-169.3	153.3	0	0	0	110.8	K311 G312 L313 F362 L375 L417 M421 A435 L451	K311-L433 PolarHBondContact O-N 3.47Å; G312-L433 WeakPolarHBondContact CA-O 3.32Å; L313-L433 PolarHBondContact N-O 3.36Å; F362-L433 HydrophobicContact CE1-CD1 4.29Å; F362-L433 HydrophobicContact CZ-CD1 3.73Å; L375-L433 HydrophobicContact CD1-CD1 4.07Å; L375-L433 HydrophobicContact CD1-CD2 4.28Å; L375-L433 HydrophobicContact CD1-CG 4.42Å; L417-L433 HydrophobicContact CD1-CD1 4.43Å; M421-L433 HydrophobicContact CE-CD1 4.15Å; M421-L433 HydrophobicContact CE-CD2 4.1Å; M421-L433 HydrophobicContact CG-CD1 3.94Å; M421-L433 HydrophobicContact SD-CD1 4.1Å; L433-A435 HydrophobicContact CD2-CB 4.34Å; L433-L451 HydrophobicContact CD2-CD2 3.86Å
434	L	94.8	Very high	90.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.4	175.1	-172.6	59.4	0	0	0	109.3	L313 L315 A327 V330 T372 I373 F374 L375 F432	L313-L434 HydrophobicContact CB-CD1 3.99Å; L313-L434 HydrophobicContact CD2-CD1 3.42Å; L313-L434 VanDerWaalsContact CD2-CD1 3.42Å; L313-L434 HydrophobicContact CG-CD1 4.22Å; L315-L434 HydrophobicContact CD1-CD1 4.11Å; L315-L434 HydrophobicContact CD1-CD2 4.34Å; L315-L434 HydrophobicContact CD1-CG 4.39Å; L315-L434 HydrophobicContact CG-CD1 3.92Å; A327-L434 HydrophobicContact CB-CD2 3.5Å; A327-L434 HydrophobicContact CB-CG 4.43Å; V330-L434 HydrophobicContact CG2-CD2 4.47Å; T372-L434 HydrophobicContact CG2-CB 4.36Å; I373-L434 PolarHBondContact O-N 3.4Å; F374-L434 CarbonylContact C-O 3.59Å; F374-L434 VanDerWaalsContact CA-O 3.28Å; F374-L434 WeakPolarHBondContact CA-O 3.15Å; F374-L434 HydrophobicContact CD2-CB 4.08Å; F374-L434 HydrophobicContact CD2-CD2 4.08Å; F374-L434 HydrophobicContact CD2-CG 3.87Å; F374-L434 WeakPolarHBondContact CD2-O 3.22Å; F374-L434 HydrophobicContact CE2-CG 4.34Å; L375-L434 PolarHBondContact N-O 3.25Å; F432-L434 HydrophobicContact CD1-CB 4.42Å; F432-L434 HydrophobicContact CE1-CB 3.9Å; F432-L434 HydrophobicContact CE1-CD1 4.18Å; F432-L434 HydrophobicContact CE1-CG 4.48Å; F432-L434 HydrophobicContact CZ-CD1 4.46Å
435	A	95.7	Very high	90.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	144	174.1	0	0	0	0	0	110.7	L313 L314 L315 L375 L378 L433 L451	L313-A435 PolarHBondContact O-N 3.27Å; L314-A435 HydrophobicContact CD1-CB 3.87Å; L315-A435 PolarHBondContact N-O 2.72Å; L375-A435 CarbonylContact O-C 3.58Å; L375-A435 WeakPolarHBondContact O-CA 3.2Å; L378-A435 HydrophobicContact CD2-CB 3.68Å; L433-A435 HydrophobicContact CD2-CB 4.34Å; A435-L451 HydrophobicContact CB-CD1 4Å; A435-L451 HydrophobicContact CB-CD2 4.12Å
436	A	95.9	Very high	90.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.8	162.4	0	0	0	0	0	110.8	L315 K323 F374 L375 D376 E377 L378	L315-A436 CarbonylContact O-C 3.6Å; L315-A436 VanDerWaalsContact O-CA 3.32Å; L315-A436 WeakPolarHBondContact O-CA 3.14Å; K323-A436 HydrophobicContact CB-CB 4.19Å; K323-A436 HydrophobicContact CD-CB 4.46Å; F374-A436 HydrophobicContact CE2-CB 3.66Å; F374-A436 HydrophobicContact CZ-CB 3.66Å; L375-A436 PolarHBondContact O-N 3.43Å; D376-A436 WeakPolarHBondContact OD1-CB 3.43Å; E377-A436 PolarHBondContact N-O 2.7Å; L378-A436 WeakPolarHBondContact CB-O 3.42Å; L378-A436 PolarHBondContact N-O 2.87Å
437	S	94.9	Very high	91	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.7	175.4	179.5	0	0	0	0	111.6	L315 K323 D379 L439	L315-S437 PolarHBondContact O-N 3.34Å; K323-S437 WeakPolarHBondContact CE-O 3.33Å; K323-S437 PolarHBondContact NZ-O 3.11Å; D379-S437 WeakPolarHBondContact OD1-CA 3.48Å; D379-S437 VanDerWaalsContact OD1-CB 3.26Å; D379-S437 WeakPolarHBondContact OD1-CB 3.46Å; D379-S437 PolarHBondContact OD1-OG 3.29Å; S437-L439 PolarHBondContact OG-N 3.16Å
438	N	93.9	Very high	91.3	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	19%	0.187	C	C	.	.	S	Bend	trans	-92.9	-24.8	170.2	-63.7	-53.3	0	0	0	111.6	K323 D379 P440 Y568	K323-N438 WeakPolarHBondContact CE-OD1 3.19Å; K323-N438 PolarHBondContact NZ-OD1 3.19Å; D379-N438 PolarHBondContact OD1-N 2.93Å; N438-P440 WeakPolarHBondContact O-CD 3.38Å; N438-Y568 WeakPolarHBondContact O-CE1 3.31Å; N438-Y568 PolarHBondContact O-OH 3.18Å
439	L	92.6	Very high	91.7	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	18%	0.183	S	C	.	.			trans	-126.1	66.4	-171.1	-56.8	172.9	0	0	0	110.7	D379 S437 W441 E442	D379-L439 HydrophobicContact CB-CB 3.99Å; S437-L439 PolarHBondContact OG-N 3.16Å; L439-W441 HydrophobicContact CD2-CH2 4.43Å; L439-W441 HydrophobicContact CD2-CZ2 3.51Å; L439-W441 PolarHBondContact O-N 3.14Å; L439-W441 VanDerWaalsContact O-N 3.15Å; L439-E442 HydrophobicContact CB-CB 4.35Å; L439-E442 HydrophobicContact CB-CG 4.06Å; L439-E442 PolarHBondContact O-N 3.37Å
440	P	92.6	Very high	92.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.5	-169.9	29.6	-38.1	0	0	0	113.8	Y316 N438 E442 L443 Y568 W571	Y316-P440 HydrophobicContact CD2-CB 4.32Å; Y316-P440 HydrophobicContact CD2-CG 3.95Å; Y316-P440 HydrophobicContact CG-CB 4.22Å; Y316-P440 HydrophobicContact CG-CG 4.29Å; N438-P440 WeakPolarHBondContact O-CD 3.38Å; P440-E442 VanDerWaalsContact C-N 3.28Å; P440-E442 PolarHBondContact O-N 3.03Å; P440-L443 HydrophobicContact CB-CD1 4.47Å; P440-L443 PolarHBondContact O-N 3.23Å; P440-Y568 HydrophobicContact CG-CD1 4.14Å; P440-Y568 HydrophobicContact CG-CE1 4.12Å; P440-W571 HydrophobicContact CB-CD2 3.97Å; P440-W571 HydrophobicContact CB-CE3 4.18Å; P440-W571 HydrophobicContact CB-CH2 4.01Å; P440-W571 HydrophobicContact CB-CZ2 3.79Å; P440-W571 HydrophobicContact CB-CZ3 4.21Å; P440-W571 HydrophobicContact CG-CD2 4.09Å; P440-W571 HydrophobicContact CG-CE3 4.36Å; P440-W571 HydrophobicContact CG-CG 4.34Å; P440-W571 PolarHBondContact O-NE1 3.47Å
441	W	91.5	Very high	92.3	Very high	54 Å²	54	33.8 Å²	33.8	21%	0.205	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-73.3	-12.9	172.1	51.7	75.4	0	0	0	114	L439 L564 K567 Y568	L439-W441 HydrophobicContact CD2-CH2 4.43Å; L439-W441 HydrophobicContact CD2-CZ2 3.51Å; L439-W441 PolarHBondContact O-N 3.14Å; L439-W441 VanDerWaalsContact O-N 3.15Å; W441-L564 HydrophobicContact CH2-CD2 4.31Å; W441-K567 HydrophobicContact CD2-CD 3.92Å; W441-K567 HydrophobicContact CD2-CG 4.41Å; W441-K567 HydrophobicContact CE3-CD 3.77Å; W441-K567 HydrophobicContact CE3-CG 3.82Å; W441-K567 HydrophobicContact CH2-CD 3.86Å; W441-K567 HydrophobicContact CH2-CG 4.34Å; W441-K567 HydrophobicContact CZ2-CD 3.99Å; W441-K567 HydrophobicContact CZ3-CB 4.18Å; W441-K567 HydrophobicContact CZ3-CD 3.74Å; W441-K567 HydrophobicContact CZ3-CG 3.78Å; W441-K567 VanDerWaalsContact NE1-NZ 3.18Å; W441-Y568 HydrophobicContact CH2-CD1 4.19Å; W441-Y568 AromaticContact CH2-CE1 3.61Å; W441-Y568 HydrophobicContact CH2-CE1 3.61Å; W441-Y568 HydrophobicContact CH2-CE2 4.26Å; W441-Y568 AromaticContact CH2-CZ 3.63Å; W441-Y568 AromaticContact CZ3-CD1 3.63Å; W441-Y568 HydrophobicContact CZ3-CD1 3.63Å; W441-Y568 AromaticContact CZ3-CE1 3.47Å; W441-Y568 HydrophobicContact CZ3-CE1 3.47Å; W441-Y568 VanDerWaalsContact CZ3-CE1 3.47Å; W441-Y568 HydrophobicContact CZ3-CG 4.23Å; W441-Y568 AromaticContact CZ3-CZ 3.95Å
442	E	90.2	Very high	92.3	Very high	81 Å²	81	38 Å²	38	38%	0.379	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-93.2	-12.4	175.6	-57.7	-172.2	-160.5	0	0	112.4	S383 Q384 L439 P440	S383-E442 CarbonylContact C-O 3.47Å; S383-E442 VanDerWaalsContact CA-O 3.24Å; S383-E442 WeakPolarHBondContact CA-O 3.29Å; Q384-E442 WeakPolarHBondContact CG-O 3.33Å; Q384-E442 PolarHBondContact N-O 2.9Å; L439-E442 HydrophobicContact CB-CB 4.35Å; L439-E442 HydrophobicContact CB-CG 4.06Å; L439-E442 PolarHBondContact O-N 3.37Å; P440-E442 VanDerWaalsContact C-N 3.28Å; P440-E442 PolarHBondContact O-N 3.03Å
443	L	90.6	Very high	92.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-67.7	138.8	-177.2	-65.9	174.6	0	0	0	112.4	L314 L378 D379 M382 Q384 P440 H445 L448	L314-L443 HydrophobicContact CD1-CD1 4.15Å; L314-L443 HydrophobicContact CD2-CD1 3.73Å; L378-L443 HydrophobicContact CB-CD2 4.29Å; L378-L443 HydrophobicContact CD2-CD2 4.05Å; L378-L443 HydrophobicContact CG-CD2 3.92Å; D379-L443 HydrophobicContact CB-CD2 4.28Å; M382-L443 HydrophobicContact CB-CD2 4.06Å; Q384-L443 PolarHBondContact NE2-O 2.8Å; P440-L443 HydrophobicContact CB-CD1 4.47Å; P440-L443 PolarHBondContact O-N 3.23Å; L443-H445 PolarHBondContact O-N 3.17Å; L443-L448 HydrophobicContact CB-CD1 4.34Å; L443-L448 HydrophobicContact CB-CD2 4.13Å; L443-L448 HydrophobicContact CB-CG 4.1Å; L443-L448 HydrophobicContact CD1-CD2 3.97Å
444	D	87.6	Confident	92.3	Very high	48 Å²	48	39.5 Å²	39.5	26%	0.257	18%	0.178	S	C	.	.			trans	-57.4	131.2	171.3	-175.7	-3	0	0	0	112	M382 Q384 A446 M447 L448	M382-D444 PolarHBondContact O-N 2.95Å; Q384-D444 HydrophobicContact CG-CB 4.41Å; D444-A446 PolarHBondContact O-N 3.21Å; D444-A446 VanDerWaalsContact O-N 3.16Å; D444-A446 WeakPolarHBondContact OD1-CB 3.41Å; D444-A446 PolarHBondContact OD1-N 2.82Å; D444-A446 WeakPolarHBondContact OD2-CB 3.44Å; D444-M447 WeakPolarHBondContact O-CB 3.42Å; D444-M447 PolarHBondContact O-N 3.15Å; D444-L448 PolarHBondContact O-N 3.24Å
445	H	88.6	Confident	92.3	Very high	108 Å²	108	39.5 Å²	39.5	50%	0.5	18%	0.178	S	C	.	.	H	α-helix	trans	-54.6	-29.1	172	-66.6	-67.8	0	0	0	112.9	Q384 L443 L448 R449	Q384-H445 PolarHBondContact NE2-CD2 2.7Å; Q384-H445 PolarHBondContact NE2-NE2 3.47Å; L443-H445 PolarHBondContact O-N 3.17Å; H445-L448 PolarHBondContact O-N 3.48Å; H445-R449 WeakPolarHBondContact O-CB 3.27Å; H445-R449 PolarHBondContact O-N 3.02Å
446	A	91.1	Very high	92.2	Very high	27 Å²	27	40.3 Å²	40.3	22%	0.223	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-39.5	173.6	0	0	0	0	0	112.4	L418 D444 R450	L418-A446 HydrophobicContact CD1-CB 4.12Å; L418-A446 HydrophobicContact CD2-CB 3.91Å; D444-A446 PolarHBondContact O-N 3.21Å; D444-A446 VanDerWaalsContact O-N 3.16Å; D444-A446 WeakPolarHBondContact OD1-CB 3.41Å; D444-A446 PolarHBondContact OD1-N 2.82Å; D444-A446 WeakPolarHBondContact OD2-CB 3.44Å; A446-R450 PolarHBondContact O-NH1 3.38Å
447	M	91.5	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-45.3	173.2	-76.4	-62.7	-60.5	0	0	111.3	L378 M382 L418 M421 D444 R449 R450 L451	L378-M447 HydrophobicContact CD1-CE 4.24Å; L378-M447 HydrophobicContact CD2-CE 3.99Å; M382-M447 HydrophobicContact CB-CG 4.06Å; M382-M447 HydrophobicContact CE-CE 4.43Å; M382-M447 HydrophobicContact CE-CG 3.88Å; M382-M447 HydrophobicContact CE-SD 3.55Å; M382-M447 VanDerWaalsContact CE-SD 3.55Å; M382-M447 HydrophobicContact CG-CG 3.64Å; M382-M447 HydrophobicContact CG-SD 4.28Å; M382-M447 HydrophobicContact SD-CG 3.49Å; M382-M447 WeakPolarHBondContact SD-CG 3.34Å; M382-M447 HydrophobicContact SD-SD 4.04Å; L418-M447 HydrophobicContact CD2-CG 3.9Å; L418-M447 HydrophobicContact CD2-SD 3.42Å; L418-M447 WeakPolarHBondContact CD2-SD 3.46Å; L418-M447 HydrophobicContact CG-SD 4.06Å; M421-M447 HydrophobicContact CE-CE 4.47Å; M421-M447 HydrophobicContact SD-CE 3.57Å; M421-M447 VanDerWaalsContact SD-CE 3.57Å; M421-M447 HydrophobicContact SD-SD 4Å; D444-M447 WeakPolarHBondContact O-CB 3.42Å; D444-M447 PolarHBondContact O-N 3.15Å; M447-R449 PolarHBondContact O-N 2.96Å; M447-R450 PolarHBondContact O-N 3.27Å; M447-L451 HydrophobicContact CE-CD1 4.36Å; M447-L451 PolarHBondContact O-N 3.34Å; M447-L451 VanDerWaalsContact O-N 3.14Å
448	L	91.7	Very high	92.1	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-36.8	178.6	-68.2	173.8	0	0	0	111.6	L314 L443 D444 H445 R450 L451 R454 W571	L314-L448 HydrophobicContact CD2-CD2 3.92Å; L443-L448 HydrophobicContact CB-CD1 4.34Å; L443-L448 HydrophobicContact CB-CD2 4.13Å; L443-L448 HydrophobicContact CB-CG 4.1Å; L443-L448 HydrophobicContact CD1-CD2 3.97Å; D444-L448 PolarHBondContact O-N 3.24Å; H445-L448 PolarHBondContact O-N 3.48Å; L448-R450 PolarHBondContact O-N 3.35Å; L448-L451 PolarHBondContact O-N 3.09Å; L448-R454 VanDerWaalsContact C-NH2 3.31Å; L448-R454 PolarHBondContact O-NH2 3.33Å; L448-W571 HydrophobicContact CD1-CZ2 4.16Å; L448-W571 HydrophobicContact CD2-CH2 3.96Å; L448-W571 HydrophobicContact CD2-CZ2 3.79Å
449	R	91.5	Very high	92.1	Very high	209 Å²	209	43.4 Å²	43.4	79%	0.789	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.4	175	-175.1	175	179.7	118.1	4.7	113.9	H445 M447	H445-R449 WeakPolarHBondContact O-CB 3.27Å; H445-R449 PolarHBondContact O-N 3.02Å; M447-R449 PolarHBondContact O-N 2.96Å
450	R	93	Very high	92.2	Very high	60 Å²	60	41.6 Å²	41.6	23%	0.226	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-6.3	-176.7	-62.8	164.6	171.1	87.9	-3.2	113.1	L418 M421 D422 A446 M447 L448	L418-R450 PolarHBondContact O-NE 3Å; M421-R450 HydrophobicContact CE-CB 3.61Å; M421-R450 WeakPolarHBondContact CE-O 3.17Å; M421-R450 HydrophobicContact SD-CB 4.14Å; D422-R450 VanDerWaalsContact CG-NH2 3.25Å; D422-R450 IonicContact OD1-CZ 2.77Å; D422-R450 VanDerWaalsContact OD1-CZ 3.24Å; D422-R450 IonicContact OD1-NE 3.62Å; D422-R450 PolarHBondContact OD1-NE 2.78Å; D422-R450 IonicContact OD1-NH2 3.05Å; D422-R450 PolarHBondContact OD1-NH2 2.78Å; D422-R450 IonicContact OD2-CZ 3.24Å; D422-R450 IonicContact OD2-NE 2.85Å; D422-R450 IonicContact OD2-NH2 2.72Å; D422-R450 PolarHBondContact OD2-NH2 3.03Å; A446-R450 PolarHBondContact O-NH1 3.38Å; M447-R450 PolarHBondContact O-N 3.27Å; L448-R450 PolarHBondContact O-N 3.35Å
451	L	93.2	Very high	92.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.209	C	C	.	.			trans	-104.4	82.6	172.6	-62.5	171	0	0	0	107.2	L314 L378 M421 L433 A435 M447 L448 R454	L314-L451 HydrophobicContact CB-CB 4.06Å; L314-L451 HydrophobicContact CB-CD1 4.11Å; L314-L451 HydrophobicContact CD1-CD1 4.27Å; L378-L451 HydrophobicContact CD2-CD1 3.83Å; M421-L451 HydrophobicContact CE-CD2 3.82Å; M421-L451 HydrophobicContact CE-CG 4.3Å; L433-L451 HydrophobicContact CD2-CD2 3.86Å; A435-L451 HydrophobicContact CB-CD1 4Å; A435-L451 HydrophobicContact CB-CD2 4.12Å; M447-L451 HydrophobicContact CE-CD1 4.36Å; M447-L451 PolarHBondContact O-N 3.34Å; M447-L451 VanDerWaalsContact O-N 3.14Å; L448-L451 PolarHBondContact O-N 3.09Å; L451-R454 WeakPolarHBondContact O-CG 3.37Å; L451-R454 PolarHBondContact O-NE 3.1Å
452	E	89.8	Confident	92.4	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	22%	0.215	S	C	.	.			trans	-67.1	-51.3	-166.9	-58.1	171	125.6	0	0	110.8	W310 K311 G312 S577	W310-E452 VanDerWaalsContact CA-OE2 3.29Å; W310-E452 WeakPolarHBondContact CA-OE2 3.36Å; W310-E452 HydrophobicContact CG-CB 4.4Å; K311-E452 PolarHBondContact N-OE2 3.29Å; K311-E452 VanDerWaalsContact N-OE2 3.14Å; G312-E452 PolarHBondContact O-N 2.61Å; E452-S577 WeakPolarHBondContact O-CB 3.18Å; E452-S577 PolarHBondContact O-OG 3.44Å
453	K	92.2	Very high	92.7	Very high	17 Å²	17	48.5 Å²	48.5	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.1	175.2	-165.8	71	-177.2	169.6	0	109.6	A292 W310 G312 L313 L314 I455 S577 S578	A292-K453 HydrophobicContact CB-CG 4.38Å; W310-K453 HydrophobicContact CD2-CB 4.04Å; W310-K453 HydrophobicContact CD2-CD 4.33Å; W310-K453 HydrophobicContact CD2-CG 4.47Å; W310-K453 HydrophobicContact CE3-CB 3.97Å; W310-K453 HydrophobicContact CE3-CD 3.96Å; W310-K453 HydrophobicContact CE3-CG 3.99Å; W310-K453 HydrophobicContact CG-CB 4.33Å; W310-K453 HydrophobicContact CH2-CD 3.79Å; W310-K453 HydrophobicContact CZ2-CD 4.14Å; W310-K453 HydrophobicContact CZ3-CD 3.68Å; W310-K453 HydrophobicContact CZ3-CG 4.1Å; G312-K453 PolarHBondContact O-N 3.22Å; L313-K453 CarbonylContact C-O 3.56Å; L313-K453 VanDerWaalsContact CA-O 3.31Å; L313-K453 WeakPolarHBondContact CA-O 3.48Å; L313-K453 HydrophobicContact CB-CB 4.45Å; L313-K453 HydrophobicContact CD1-CB 3.93Å; L313-K453 HydrophobicContact CD1-CG 3.85Å; L313-K453 HydrophobicContact CG-CB 3.95Å; L313-K453 HydrophobicContact CG-CG 4.22Å; L314-K453 PolarHBondContact N-O 2.96Å; K453-I455 HydrophobicContact CG-CD1 4.19Å; K453-I455 HydrophobicContact CG-CG1 4.2Å; K453-S577 WeakPolarHBondContact CD-O 3.18Å; K453-S577 VanDerWaalsContact CE-O 3.29Å; K453-S577 WeakPolarHBondContact CE-O 3.48Å; K453-S577 PolarHBondContact NZ-O 3.36Å; K453-S578 PolarHBondContact NZ-OXT 2.83Å
454	R	94.7	Very high	93	Very high	35 Å²	35	48.6 Å²	48.6	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.6	-175	-58.4	171.4	-173.2	166.7	7.6	109.2	L314 Y316 L448 L451 F575	L314-R454 HydrophobicContact CB-CG 4.25Å; L314-R454 WeakPolarHBondContact O-CA 3.43Å; Y316-R454 HydrophobicContact CD1-CB 4.49Å; Y316-R454 HydrophobicContact CE1-CB 4.02Å; L448-R454 VanDerWaalsContact C-NH2 3.31Å; L448-R454 PolarHBondContact O-NH2 3.33Å; L451-R454 WeakPolarHBondContact O-CG 3.37Å; L451-R454 PolarHBondContact O-NE 3.1Å; R454-F575 WeakPolarHBondContact CD-O 3.35Å; R454-F575 PolarHBondContact NH1-O 3.17Å
455	I	94.8	Very high	93.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.4	-169.1	-60.6	174.6	0	0	0	109.3	A285 L288 V289 L313 L314 L315 Y316 K453	A285-I455 HydrophobicContact CB-CG2 3.75Å; L288-I455 HydrophobicContact CB-CD1 3.51Å; L288-I455 HydrophobicContact CB-CG1 4.02Å; L288-I455 HydrophobicContact CD1-CG1 4.3Å; L288-I455 HydrophobicContact CD1-CG2 4.34Å; V289-I455 HydrophobicContact CB-CD1 4.47Å; V289-I455 HydrophobicContact CG2-CD1 3.53Å; L313-I455 HydrophobicContact CD1-CD1 3.85Å; L313-I455 HydrophobicContact CD2-CD1 4.07Å; L313-I455 HydrophobicContact CD2-CG1 4.47Å; L313-I455 HydrophobicContact CG-CD1 4.33Å; L314-I455 PolarHBondContact O-N 3.17Å; L315-I455 HydrophobicContact CD2-CB 4.19Å; L315-I455 HydrophobicContact CD2-CG2 4.46Å; Y316-I455 VanDerWaalsContact CD1-O 3.3Å; Y316-I455 WeakPolarHBondContact CD1-O 3.47Å; Y316-I455 PolarHBondContact N-O 3.3Å; K453-I455 HydrophobicContact CG-CD1 4.19Å; K453-I455 HydrophobicContact CG-CG1 4.2Å
456	L	94.9	Very high	93.8	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.1	170.1	178.6	60.4	0	0	0	109.4	Y316 D458 Q572	Y316-L456 HydrophobicContact CD2-CD1 3.91Å; Y316-L456 HydrophobicContact CE1-CB 4.38Å; Y316-L456 HydrophobicContact CE2-CB 3.88Å; Y316-L456 HydrophobicContact CE2-CD1 3.71Å; Y316-L456 HydrophobicContact CE2-CG 4.32Å; Y316-L456 CarbonylContact O-C 3.56Å; Y316-L456 WeakPolarHBondContact O-CA 3.43Å; L456-D458 HydrophobicContact CD2-CB 4.11Å; L456-D458 HydrophobicContact CG-CB 3.99Å; L456-Q572 VanDerWaalsContact CD2-OE1 3.31Å
457	V	95	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.212	C	C	.	.			trans	-103.9	82.2	169.9	-173.4	0	0	0	0	106.8	L282 L315 Y316 T321 K323 L326	L282-V457 HydrophobicContact CD1-CG1 3.76Å; L282-V457 HydrophobicContact CD2-CG1 3.81Å; L282-V457 HydrophobicContact CG-CG1 4.45Å; L315-V457 HydrophobicContact CB-CG2 4.2Å; L315-V457 HydrophobicContact CD2-CG2 4.03Å; Y316-V457 PolarHBondContact O-N 3.29Å; T321-V457 WeakPolarHBondContact CB-O 3.41Å; T321-V457 PolarHBondContact OG1-O 2.73Å; K323-V457 HydrophobicContact CG-CB 3.79Å; K323-V457 HydrophobicContact CG-CG1 4.06Å; K323-V457 HydrophobicContact CG-CG2 3.96Å; L326-V457 HydrophobicContact CD2-CG2 4.12Å
458	D	92.9	Very high	94.1	Very high	74 Å²	74	48 Å²	48	40%	0.396	22%	0.217	S	C	.	.			trans	-74.8	179.4	-170.9	-155.7	1.9	0	0	0	113.2	T321 L456	T321-D458 WeakPolarHBondContact CG2-O 3.17Å; L456-D458 HydrophobicContact CD2-CB 4.11Å; L456-D458 HydrophobicContact CG-CB 3.99Å
459	L	93.9	Very high	94.3	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.173	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65.5	149.1	173.7	-61.7	175.2	0	0	0	112.2	P318 T321 N461 A561 A565	P318-L459 HydrophobicContact CB-CD2 4.24Å; P318-L459 HydrophobicContact CG-CD2 3.95Å; P318-L459 HydrophobicContact CG-CG 4.19Å; T321-L459 HydrophobicContact CG2-CD2 3.99Å; L459-N461 PolarHBondContact O-N 2.85Å; L459-A561 HydrophobicContact CD1-CB 4.49Å; L459-A561 HydrophobicContact CD2-CB 3.69Å; L459-A565 HydrophobicContact CD1-CB 4.39Å
460	P	94.2	Very high	94.5	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.084	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-64.9	131.8	-179.2	25.4	-34.4	0	0	0	112.9	A464 R465 M468 Y503 I508	P460-A464 HydrophobicContact CB-CB 3.78Å; P460-R465 HydrophobicContact CB-CG 3.83Å; P460-R465 HydrophobicContact CG-CG 3.79Å; P460-R465 PolarHBondContact O-NH1 2.67Å; P460-M468 HydrophobicContact CB-CE 3.9Å; P460-M468 HydrophobicContact CB-SD 4.19Å; P460-M468 HydrophobicContact CG-CE 4.33Å; P460-M468 HydrophobicContact CG-SD 4.2Å; P460-Y503 WeakPolarHBondContact CD-O 3.43Å; P460-Y503 WeakPolarHBondContact CG-O 3.3Å; P460-I508 HydrophobicContact CG-CD1 3.88Å
461	N	94.2	Very high	94.5	Very high	76 Å²	76	42 Å²	42	41%	0.406	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-66.5	167.3	169.1	77.3	-27.8	0	0	0	111.3	L459 E463 A464 R465	L459-N461 PolarHBondContact O-N 2.85Å; N461-E463 VanDerWaalsContact C-N 3.27Å; N461-E463 PolarHBondContact ND2-OE2 3Å; N461-E463 PolarHBondContact O-N 2.82Å; N461-A464 PolarHBondContact O-N 3.08Å; N461-A464 WeakPolarHBondContact OD1-CB 3.36Å; N461-A464 PolarHBondContact OD1-N 3.17Å; N461-R465 WeakPolarHBondContact O-CG 3.34Å; N461-R465 PolarHBondContact O-N 2.99Å
462	K	95.8	Very high	94.5	Very high	78 Å²	78	44.1 Å²	44.1	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-52.3	-44.4	-176	-176.4	179.3	170.6	-177.8	0	112.5	R465 I466 A497 E498	K462-R465 PolarHBondContact O-N 3.11Å; K462-R465 VanDerWaalsContact O-N 3.15Å; K462-I466 HydrophobicContact CG-CD1 4.28Å; K462-I466 WeakPolarHBondContact O-CG1 3.2Å; K462-I466 PolarHBondContact O-N 2.84Å; K462-A497 HydrophobicContact CG-CB 4.15Å; K462-E498 HydrophobicContact CD-CG 4.2Å; K462-E498 IonicContact NZ-OE1 2.82Å; K462-E498 PolarHBondContact NZ-OE1 2.84Å
463	E	96.1	Very high	94.6	Very high	127 Å²	127	40 Å²	40	59%	0.593	20%	0.198	S	C	*	.	H	α-helix	trans	-58.6	-48.6	177.2	-57.9	164.6	155.3	0	0	112.1	N461 R465 I466 H467	N461-E463 VanDerWaalsContact C-N 3.27Å; N461-E463 PolarHBondContact ND2-OE2 3Å; N461-E463 PolarHBondContact O-N 2.82Å; E463-R465 VanDerWaalsContact C-N 3.28Å; E463-R465 PolarHBondContact O-N 3.09Å; E463-I466 PolarHBondContact O-N 3.19Å; E463-H467 PolarHBondContact O-CD2 2.77Å; E463-H467 PolarHBondContact O-N 3.47Å; E463-H467 VanDerWaalsContact O-N 3.1Å
464	A	95.6	Very high	94.6	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-33.3	175.8	0	0	0	0	0	112.4	I280 P460 N461 M468	I280-A464 HydrophobicContact CG2-CB 4.09Å; I280-A464 WeakPolarHBondContact CG2-O 3.48Å; P460-A464 HydrophobicContact CB-CB 3.78Å; N461-A464 PolarHBondContact O-N 3.08Å; N461-A464 WeakPolarHBondContact OD1-CB 3.36Å; N461-A464 PolarHBondContact OD1-N 3.17Å; A464-M468 WeakPolarHBondContact O-CB 3.32Å; A464-M468 WeakPolarHBondContact O-CG 3.37Å; A464-M468 PolarHBondContact O-N 3.01Å
465	R	96.3	Very high	94.3	Very high	23 Å²	23	43.4 Å²	43.4	9%	0.087	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-42.4	174.8	-61.8	-162	-60.1	-96.5	12.1	112	P460 N461 K462 E463 M468 F469 A497 T500 I508	P460-R465 HydrophobicContact CB-CG 3.83Å; P460-R465 HydrophobicContact CG-CG 3.79Å; P460-R465 PolarHBondContact O-NH1 2.67Å; N461-R465 WeakPolarHBondContact O-CG 3.34Å; N461-R465 PolarHBondContact O-N 2.99Å; K462-R465 PolarHBondContact O-N 3.11Å; K462-R465 VanDerWaalsContact O-N 3.15Å; E463-R465 VanDerWaalsContact C-N 3.28Å; E463-R465 PolarHBondContact O-N 3.09Å; R465-M468 PolarHBondContact O-N 3.25Å; R465-F469 VanDerWaalsContact O-CD2 3.22Å; R465-F469 WeakPolarHBondContact O-CD2 3.14Å; R465-F469 PolarHBondContact O-N 3.44Å; R465-A497 HydrophobicContact CB-CB 3.86Å; R465-A497 VanDerWaalsContact CZ-O 3.22Å; R465-A497 PolarHBondContact NE-O 2.99Å; R465-A497 PolarHBondContact NH2-O 2.85Å; R465-T500 VanDerWaalsContact CD-O 3.28Å; R465-T500 WeakPolarHBondContact CD-O 3Å; R465-T500 PolarHBondContact NE-O 2.71Å; R465-I508 HydrophobicContact CB-CD1 4.15Å; R465-I508 HydrophobicContact CG-CD1 3.62Å
466	I	96.6	Very high	93.9	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.138	24%	0.244	C	C	.	.	H	α-helix	trans	-54.2	-55.7	172.9	-67.6	167	0	0	0	109.8	K462 E463 M468 F469 E470 A497	K462-I466 HydrophobicContact CG-CD1 4.28Å; K462-I466 WeakPolarHBondContact O-CG1 3.2Å; K462-I466 PolarHBondContact O-N 2.84Å; E463-I466 PolarHBondContact O-N 3.19Å; I466-M468 VanDerWaalsContact C-N 3.28Å; I466-M468 PolarHBondContact O-N 3.07Å; I466-F469 PolarHBondContact O-N 3.43Å; I466-E470 HydrophobicContact CG2-CG 4.46Å; I466-E470 WeakPolarHBondContact O-CG 3.46Å; I466-E470 PolarHBondContact O-N 3.36Å; I466-A497 HydrophobicContact CB-CB 4.49Å; I466-A497 HydrophobicContact CG1-CB 3.51Å
467	H	95.3	Very high	93.4	Very high	98 Å²	98	48 Å²	48	45%	0.454	25%	0.25	S	S	.	.	H	α-helix	trans	-63.6	-29.3	179.9	-66.7	-42.6	0	0	0	113.7	I280 E463 E470 S471	I280-H467 HydrophobicContact CG2-CB 3.6Å; E463-H467 PolarHBondContact O-CD2 2.77Å; E463-H467 PolarHBondContact O-N 3.47Å; E463-H467 VanDerWaalsContact O-N 3.1Å; H467-E470 IonicContact CE1-OE2 3.51Å; H467-E470 IonicContact CG-OE2 3.98Å; H467-E470 IonicContact ND1-OE2 2.63Å; H467-E470 PolarHBondContact ND1-OE2 3.05Å; H467-S471 WeakPolarHBondContact O-CB 3.44Å; H467-S471 PolarHBondContact O-N 3.29Å
468	M	95.2	Very high	92.4	Very high	22 Å²	22	49.1 Å²	49.1	11%	0.108	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-38.8	171.5	-76.2	174.7	-166.4	0	0	112.1	I280 P460 A464 R465 I466 S471 F472 I508	I280-M468 HydrophobicContact CB-CE 4.15Å; I280-M468 HydrophobicContact CB-CG 4.23Å; I280-M468 HydrophobicContact CD1-CG 3.89Å; I280-M468 HydrophobicContact CG2-CE 4.21Å; I280-M468 HydrophobicContact CG2-CG 4Å; P460-M468 HydrophobicContact CB-CE 3.9Å; P460-M468 HydrophobicContact CB-SD 4.19Å; P460-M468 HydrophobicContact CG-CE 4.33Å; P460-M468 HydrophobicContact CG-SD 4.2Å; A464-M468 WeakPolarHBondContact O-CB 3.32Å; A464-M468 WeakPolarHBondContact O-CG 3.37Å; A464-M468 PolarHBondContact O-N 3.01Å; R465-M468 PolarHBondContact O-N 3.25Å; I466-M468 VanDerWaalsContact C-N 3.28Å; I466-M468 PolarHBondContact O-N 3.07Å; M468-S471 PolarHBondContact O-N 3.32Å; M468-F472 HydrophobicContact CB-CD2 4.37Å; M468-F472 HydrophobicContact CB-CE2 4.03Å; M468-F472 HydrophobicContact CG-CE2 4.35Å; M468-F472 WeakPolarHBondContact O-CB 2.98Å; M468-F472 WeakPolarHBondContact O-CD2 3.48Å; M468-F472 WeakPolarHBondContact O-CG 3.34Å; M468-F472 PolarHBondContact O-N 3.3Å; M468-I508 HydrophobicContact CB-CG2 3.97Å; M468-I508 HydrophobicContact SD-CD1 3.87Å
469	F	95.9	Very high	91.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-45.3	172.6	-78.5	-72.7	0	0	0	112	R465 I466 S471 F472 L473 Y493 A496 T500 I508 V511 C512 V550	R465-F469 VanDerWaalsContact O-CD2 3.22Å; R465-F469 WeakPolarHBondContact O-CD2 3.14Å; R465-F469 PolarHBondContact O-N 3.44Å; I466-F469 PolarHBondContact O-N 3.43Å; F469-S471 PolarHBondContact O-N 2.86Å; F469-F472 PolarHBondContact O-N 2.88Å; F469-L473 CarbonylContact O-C 3.53Å; F469-L473 WeakPolarHBondContact O-CA 3.2Å; F469-L473 PolarHBondContact O-N 3.26Å; F469-Y493 HydrophobicContact CB-CD1 3.72Å; F469-Y493 HydrophobicContact CB-CE1 4.4Å; F469-A496 HydrophobicContact CD1-CB 4.17Å; F469-A496 HydrophobicContact CD2-CB 3.84Å; F469-A496 HydrophobicContact CE1-CB 4.02Å; F469-A496 VanDerWaalsContact CE2-C 3.49Å; F469-A496 HydrophobicContact CE2-CB 3.69Å; F469-A496 WeakPolarHBondContact CE2-O 3.34Å; F469-A496 HydrophobicContact CG-CB 4.1Å; F469-A496 HydrophobicContact CZ-CB 3.77Å; F469-T500 HydrophobicContact CE2-CG2 4.11Å; F469-T500 HydrophobicContact CZ-CG2 3.75Å; F469-I508 HydrophobicContact CD2-CG2 4.36Å; F469-I508 HydrophobicContact CE1-CG2 4.26Å; F469-I508 HydrophobicContact CE2-CG2 4.08Å; F469-I508 HydrophobicContact CZ-CG2 4.03Å; F469-V511 HydrophobicContact CE1-CG1 4.19Å; F469-V511 HydrophobicContact CZ-CG1 4.4Å; F469-C512 WeakPolarHBondContact CD1-SG 2.97Å; F469-C512 VanDerWaalsContact CE1-SG 3.54Å; F469-V550 HydrophobicContact CE1-CG1 3.9Å; F469-V550 HydrophobicContact CZ-CG1 4.36Å
470	E	94.4	Very high	89.9	Confident	77 Å²	77	54.1 Å²	54.1	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-38.2	174.9	-68.1	172.5	159.5	0	0	112.3	I466 H467 P474 Y493	I466-E470 HydrophobicContact CG2-CG 4.46Å; I466-E470 WeakPolarHBondContact O-CG 3.46Å; I466-E470 PolarHBondContact O-N 3.36Å; H467-E470 IonicContact CE1-OE2 3.51Å; H467-E470 IonicContact CG-OE2 3.98Å; H467-E470 IonicContact ND1-OE2 2.63Å; H467-E470 PolarHBondContact ND1-OE2 3.05Å; E470-P474 WeakPolarHBondContact O-CA 3.45Å; E470-Y493 HydrophobicContact CG-CD1 4.32Å; E470-Y493 HydrophobicContact CG-CD2 3.63Å; E470-Y493 HydrophobicContact CG-CE1 4.39Å; E470-Y493 HydrophobicContact CG-CE2 3.75Å; E470-Y493 HydrophobicContact CG-CG 3.94Å
471	S	92.8	Very high	88.5	Confident	71 Å²	71	57.5 Å²	57.5	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-75.8	-35.6	179.4	-178.6	0	0	0	0	113.7	H467 M468 F469	H467-S471 WeakPolarHBondContact O-CB 3.44Å; H467-S471 PolarHBondContact O-N 3.29Å; M468-S471 PolarHBondContact O-N 3.32Å; F469-S471 PolarHBondContact O-N 2.86Å
472	F	93	Very high	86.9	Confident	45 Å²	45	60 Å²	60	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-94.2	-27.2	-176.2	-60	-27.6	0	0	0	114.1	M468 F469 P474 I508 R509 C512	M468-F472 HydrophobicContact CB-CD2 4.37Å; M468-F472 HydrophobicContact CB-CE2 4.03Å; M468-F472 HydrophobicContact CG-CE2 4.35Å; M468-F472 WeakPolarHBondContact O-CB 2.98Å; M468-F472 WeakPolarHBondContact O-CD2 3.48Å; M468-F472 WeakPolarHBondContact O-CG 3.34Å; M468-F472 PolarHBondContact O-N 3.3Å; F469-F472 PolarHBondContact O-N 2.88Å; F472-P474 VanDerWaalsContact C-CD 3.46Å; F472-I508 HydrophobicContact CD2-CG2 4.29Å; F472-I508 HydrophobicContact CE2-CG2 4.4Å; F472-R509 HydrophobicContact CD2-CB 4.01Å; F472-R509 HydrophobicContact CD2-CG 4.39Å; F472-R509 HydrophobicContact CE2-CB 3.67Å; F472-R509 HydrophobicContact CE2-CG 4.26Å; F472-R509 HydrophobicContact CZ-CB 4.12Å; F472-R509 HydrophobicContact CZ-CG 4.38Å; F472-C512 HydrophobicContact CB-CB 3.74Å; F472-C512 HydrophobicContact CD2-CB 4.46Å
473	L	92.4	Very high	85.3	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	37%	0.373	C	S	.	.	S	Bend	trans	-130.8	62.5	174.8	-64.3	178.2	0	0	0	110.6	F469 I477 L491 Y493 C512 A515 A516 I545 V550	F469-L473 CarbonylContact O-C 3.53Å; F469-L473 WeakPolarHBondContact O-CA 3.2Å; F469-L473 PolarHBondContact O-N 3.26Å; L473-I477 HydrophobicContact CD2-CD1 3.65Å; L473-L491 HydrophobicContact CB-CD1 3.57Å; L473-L491 HydrophobicContact CD1-CD1 3.68Å; L473-L491 HydrophobicContact CG-CD1 4.28Å; L473-Y493 PolarHBondContact O-OH 3.13Å; L473-C512 HydrophobicContact CD1-CB 4.01Å; L473-C512 HydrophobicContact CD2-CB 4.35Å; L473-C512 HydrophobicContact CG-CB 3.82Å; L473-A515 HydrophobicContact CD1-CB 4.31Å; L473-A516 HydrophobicContact CD2-CB 4.32Å; L473-I545 HydrophobicContact CD2-CD1 4Å; L473-V550 HydrophobicContact CD1-CG2 4.14Å
474	P	91.9	Very high	84	Confident	43 Å²	43	56 Å²	56	28%	0.279	36%	0.357	S	S	.	.			trans	-59.8	160.2	173.8	27.6	-36.6	0	0	0	111.3	E470 F472 I476 I477 C489	E470-P474 WeakPolarHBondContact O-CA 3.45Å; F472-P474 VanDerWaalsContact C-CD 3.46Å; P474-I476 PolarHBondContact O-N 3.31Å; P474-I477 HydrophobicContact CG-CG1 4.23Å; P474-C489 WeakPolarHBondContact O-CB 3.41Å; P474-C489 PolarHBondContact O-SG 3.09Å
475	P	89.2	Confident	83	Confident	81 Å²	81	59.1 Å²	59.1	53%	0.526	37%	0.373	S	S	.	.	S	Bend	trans	-54.1	-25.1	-174.5	-29.2	36.3	0	0	0	115.6	K488 C489	P475-K488 WeakPolarHBondContact O-CA 3.25Å; P475-C489 PolarHBondContact O-N 3.46Å
476	I	86.5	Confident	82.3	Confident	69 Å²	69	63.3 Å²	63.3	35%	0.354	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	119.6	169.3	-54.3	176.9	0	0	0	108.9	P474 Q479 L487	P474-I476 PolarHBondContact O-N 3.31Å; I476-Q479 HydrophobicContact CB-CG 4.16Å; I476-Q479 HydrophobicContact CG2-CG 3.67Å; I476-L487 CarbonylContact C-O 3.59Å; I476-L487 WeakPolarHBondContact CA-O 3.29Å
477	I	83.8	Confident	81.6	Confident	45 Å²	45	62.5 Å²	62.5	23%	0.231	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.6	173.8	-57.4	172.7	0	0	0	108.7	L473 P474 Q486 L487 I545	L473-I477 HydrophobicContact CD2-CD1 3.65Å; P474-I477 HydrophobicContact CG-CG1 4.23Å; I477-Q486 WeakPolarHBondContact O-CA 3.39Å; I477-L487 HydrophobicContact CB-CB 4.32Å; I477-L487 PolarHBondContact N-O 3.1Å; I477-L487 PolarHBondContact O-N 2.95Å; I477-I545 HydrophobicContact CD1-CD1 4.01Å
478	G	75.3	Confident	81.3	Confident	24 Å²	24	63 Å²	63	25%	0.247	39%	0.391	C	S	.	.			trans	93.7	3.1	168.5	0	0	0	0	0	116.9	G480 T481	G478-G480 PolarHBondContact O-N 3Å; G478-T481 PolarHBondContact O-N 3.3Å; G478-T481 VanDerWaalsContact O-N 3.15Å
479	Q	66.8	Low	81	Confident	139 Å²	139	62.2 Å²	62.2	65%	0.65	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.7	-175.7	-66.8	-170.3	-15.2	0	0	115.4	I476	I476-Q479 HydrophobicContact CB-CG 4.16Å; I476-Q479 HydrophobicContact CG2-CG 3.67Å
480	G	66	Low	80.8	Confident	74 Å²	74	69.4 Å²	69.4	76%	0.763	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.2	-176.8	0	0	0	0	0	116.4	G478	G478-G480 PolarHBondContact O-N 3Å
481	T	65.6	Low	80.7	Confident	83 Å²	83	67 Å²	67	51%	0.509	41%	0.405	S	S	.	.	S	Bend	trans	-110.1	108.1	-176.5	-54.9	0	0	0	0	111.2	G478 G483 G484	G478-T481 PolarHBondContact O-N 3.3Å; G478-T481 VanDerWaalsContact O-N 3.15Å; T481-G483 PolarHBondContact O-N 2.75Å; T481-G484 PolarHBondContact O-N 3.27Å
482	P	60.4	Low	80.7	Confident	130 Å²	130	67 Å²	67	84%	0.844	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	123.9	175.3	26.7	-33	0	0	0	110.2	G484	P482-G484 VanDerWaalsContact C-N 3.26Å; P482-G484 PolarHBondContact O-N 2.9Å
483	G	63.1	Low	80.8	Confident	93 Å²	93	66.7 Å²	66.7	96%	0.959	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4.6	-171.8	0	0	0	0	0	115	T481	T481-G483 PolarHBondContact O-N 2.75Å
484	G	68.5	Low	81	Confident	26 Å²	26	70.3 Å²	70.3	27%	0.268	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-78.1	155.2	175.9	0	0	0	0	0	113.4	T481 P482 Q486	T481-G484 PolarHBondContact O-N 3.27Å; P482-G484 VanDerWaalsContact C-N 3.26Å; P482-G484 PolarHBondContact O-N 2.9Å; G484-Q486 PolarHBondContact O-N 3.22Å
485	L	73.8	Confident	81.2	Confident	69 Å²	69	71.6 Å²	71.6	36%	0.361	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.1	117.1	172.9	177.1	61	0	0	0	110.4	L487 V520 I523 F542	L485-L487 HydrophobicContact CD1-CD2 3.94Å; L485-L487 HydrophobicContact CD2-CD1 4.34Å; L485-L487 HydrophobicContact CD2-CD2 4.06Å; L485-L487 HydrophobicContact CD2-CG 4.24Å; L485-L487 HydrophobicContact CG-CD2 3.91Å; L485-L487 HydrophobicContact CG-CG 4.04Å; L485-V520 HydrophobicContact CD2-CG2 3.95Å; L485-I523 HydrophobicContact CD1-CD1 4.39Å; L485-I523 HydrophobicContact CD2-CD1 4.21Å; L485-F542 HydrophobicContact CD1-CD1 3.88Å; L485-F542 HydrophobicContact CD1-CD2 3.57Å; L485-F542 HydrophobicContact CD1-CE1 3.66Å; L485-F542 HydrophobicContact CD1-CE2 3.33Å; L485-F542 HydrophobicContact CD1-CG 3.85Å; L485-F542 HydrophobicContact CD1-CZ 3.38Å
486	Q	81.9	Confident	81.4	Confident	112 Å²	112	67.9 Å²	67.9	52%	0.523	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-95.7	120.5	172.1	-65.2	-173.8	7.7	0	0	110	I477 G484	I477-Q486 WeakPolarHBondContact O-CA 3.39Å; G484-Q486 PolarHBondContact O-N 3.22Å
487	L	82.8	Confident	81.9	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.4	175.2	-59.7	178.8	0	0	0	109.6	I476 I477 L485 V519 V520 F542 I545	I476-L487 CarbonylContact C-O 3.59Å; I476-L487 WeakPolarHBondContact CA-O 3.29Å; I477-L487 HydrophobicContact CB-CB 4.32Å; I477-L487 PolarHBondContact N-O 3.1Å; I477-L487 PolarHBondContact O-N 2.95Å; L485-L487 HydrophobicContact CD1-CD2 3.94Å; L485-L487 HydrophobicContact CD2-CD1 4.34Å; L485-L487 HydrophobicContact CD2-CD2 4.06Å; L485-L487 HydrophobicContact CD2-CG 4.24Å; L485-L487 HydrophobicContact CG-CD2 3.91Å; L485-L487 HydrophobicContact CG-CG 4.04Å; L487-V519 HydrophobicContact CD2-CG1 4.07Å; L487-V520 HydrophobicContact CD1-CG2 4.42Å; L487-F542 HydrophobicContact CD2-CB 3.98Å; L487-F542 HydrophobicContact CD2-CG 4.24Å; L487-I545 HydrophobicContact CB-CD1 4.43Å; L487-I545 HydrophobicContact CD1-CD1 4.1Å
488	K	88.5	Confident	82.4	Confident	109 Å²	109	67.9 Å²	67.9	47%	0.474	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.9	170.8	-67	173.6	-177.6	170	0	109.3	P475 P544 I545	P475-K488 WeakPolarHBondContact O-CA 3.25Å; K488-P544 HydrophobicContact CB-CB 4.09Å; K488-P544 CarbonylContact O-C 3.57Å; K488-P544 VanDerWaalsContact O-CA 3.23Å; K488-P544 WeakPolarHBondContact O-CA 3.21Å; K488-I545 PolarHBondContact O-N 3.26Å
489	C	89.1	Confident	83.4	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.034	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.8	178.1	-56.9	0	0	0	0	109.6	P474 P475 L491	P474-C489 WeakPolarHBondContact O-CB 3.41Å; P474-C489 PolarHBondContact O-SG 3.09Å; P475-C489 PolarHBondContact O-N 3.46Å; C489-L491 HydrophobicContact CB-CD1 4.05Å; C489-L491 HydrophobicContact CB-CG 4.11Å
490	Y	91.9	Very high	84.7	Confident	152 Å²	152	64.1 Å²	64.1	60%	0.596	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	87.5	172.4	-63.3	-50.6	0	0	0	108.2	P544 I545	Y490-P544 HydrophobicContact CD2-CB 3.42Å; Y490-P544 VanDerWaalsContact CD2-CB 3.42Å; Y490-P544 HydrophobicContact CD2-CG 3.65Å; Y490-P544 HydrophobicContact CE2-CB 3.67Å; Y490-P544 HydrophobicContact CE2-CG 3.89Å; Y490-P544 HydrophobicContact CG-CB 4.41Å; Y490-I545 PolarHBondContact N-O 3.1Å
491	L	90.7	Very high	85.9	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.131	36%	0.361	C	S	.	.			trans	-125.6	133.6	-168	-56.2	178.6	0	0	0	111.1	L473 C489 Y493 I545 T546 T547 V550	L473-L491 HydrophobicContact CB-CD1 3.57Å; L473-L491 HydrophobicContact CD1-CD1 3.68Å; L473-L491 HydrophobicContact CG-CD1 4.28Å; C489-L491 HydrophobicContact CB-CD1 4.05Å; C489-L491 HydrophobicContact CB-CG 4.11Å; L491-Y493 HydrophobicContact CB-CD1 4.08Å; L491-Y493 HydrophobicContact CB-CE1 3.86Å; L491-Y493 HydrophobicContact CD1-CE1 4.02Å; L491-Y493 PolarHBondContact O-N 3Å; L491-I545 HydrophobicContact CD2-CG2 4.31Å; L491-T546 WeakPolarHBondContact CD2-O 3.41Å; L491-T547 WeakPolarHBondContact CA-OG1 3.28Å; L491-V550 HydrophobicContact CD1-CG2 4.43Å; L491-V550 HydrophobicContact CD2-CG2 3.77Å
492	D	94	Very high	87.2	Confident	73 Å²	73	63 Å²	63	39%	0.39	34%	0.343	S	S	.	.			trans	-81.1	105.9	155.5	-170	-11.2	0	0	0	110.2	N494 E495 A496 T547	D492-N494 PolarHBondContact O-N 3.48Å; D492-N494 WeakPolarHBondContact OD1-CA 3.25Å; D492-N494 VanDerWaalsContact OD1-CB 3.27Å; D492-N494 WeakPolarHBondContact OD1-CB 3.44Å; D492-N494 PolarHBondContact OD1-N 2.99Å; D492-N494 PolarHBondContact OD1-ND2 3.01Å; D492-N494 VanDerWaalsContact OD1-ND2 3.14Å; D492-E495 HydrophobicContact CB-CB 4.15Å; D492-A496 WeakPolarHBondContact O-CB 3.37Å; D492-A496 PolarHBondContact O-N 3.39Å; D492-A496 VanDerWaalsContact O-N 3.17Å; D492-T547 PolarHBondContact N-OG1 2.78Å
493	Y	95.5	Very high	88.9	Confident	38 Å²	38	57.3 Å²	57.3	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-22.1	177.1	-52.8	-57.6	0	0	0	113	F469 E470 L473 L491 A497	F469-Y493 HydrophobicContact CB-CD1 3.72Å; F469-Y493 HydrophobicContact CB-CE1 4.4Å; E470-Y493 HydrophobicContact CG-CD1 4.32Å; E470-Y493 HydrophobicContact CG-CD2 3.63Å; E470-Y493 HydrophobicContact CG-CE1 4.39Å; E470-Y493 HydrophobicContact CG-CE2 3.75Å; E470-Y493 HydrophobicContact CG-CG 3.94Å; L473-Y493 PolarHBondContact O-OH 3.13Å; L491-Y493 HydrophobicContact CB-CD1 4.08Å; L491-Y493 HydrophobicContact CB-CE1 3.86Å; L491-Y493 HydrophobicContact CD1-CE1 4.02Å; L491-Y493 PolarHBondContact O-N 3Å; Y493-A497 WeakPolarHBondContact O-CB 3.27Å; Y493-A497 PolarHBondContact O-N 2.96Å
494	N	96.1	Very high	90.4	Very high	78 Å²	78	52.9 Å²	52.9	42%	0.417	26%	0.259	S	S	.	.	H	α-helix	trans	-73.6	-49.3	176.5	-61.7	-84.9	0	0	0	111	D492 A496 A497 E498	D492-N494 PolarHBondContact O-N 3.48Å; D492-N494 WeakPolarHBondContact OD1-CA 3.25Å; D492-N494 VanDerWaalsContact OD1-CB 3.27Å; D492-N494 WeakPolarHBondContact OD1-CB 3.44Å; D492-N494 PolarHBondContact OD1-N 2.99Å; D492-N494 PolarHBondContact OD1-ND2 3.01Å; D492-N494 VanDerWaalsContact OD1-ND2 3.14Å; N494-A496 VanDerWaalsContact C-N 3.33Å; N494-A496 PolarHBondContact O-N 2.82Å; N494-A497 PolarHBondContact O-N 3.39Å; N494-E498 WeakPolarHBondContact O-CG 3.47Å; N494-E498 PolarHBondContact O-N 3.49Å
495	E	95.1	Very high	91.6	Very high	70 Å²	70	52.3 Å²	52.3	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176.8	-170.7	178.4	-151.5	0	0	110.4	D492 A497 E498 L499 T547 K551	D492-E495 HydrophobicContact CB-CB 4.15Å; E495-A497 VanDerWaalsContact C-N 3.33Å; E495-A497 PolarHBondContact O-N 3.03Å; E495-E498 PolarHBondContact O-N 3.28Å; E495-L499 HydrophobicContact CG-CD1 4.08Å; E495-L499 WeakPolarHBondContact O-CG 3.48Å; E495-L499 PolarHBondContact O-N 3.45Å; E495-T547 HydrophobicContact CB-CG2 4.49Å; E495-T547 VanDerWaalsContact OE2-CG2 3.3Å; E495-T547 WeakPolarHBondContact OE2-CG2 3.45Å; E495-K551 WeakPolarHBondContact OE1-CE 3.42Å; E495-K551 IonicContact OE1-NZ 3.65Å; E495-K551 PolarHBondContact OE1-NZ 3.17Å; E495-K551 WeakPolarHBondContact OE2-CE 3.46Å; E495-K551 IonicContact OE2-NZ 2.99Å; E495-K551 PolarHBondContact OE2-NZ 3.06Å
496	A	94.8	Very high	92.6	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-39.3	174.7	0	0	0	0	0	112.9	F469 D492 N494 T500 V550	F469-A496 HydrophobicContact CD1-CB 4.17Å; F469-A496 HydrophobicContact CD2-CB 3.84Å; F469-A496 HydrophobicContact CE1-CB 4.02Å; F469-A496 VanDerWaalsContact CE2-C 3.49Å; F469-A496 HydrophobicContact CE2-CB 3.69Å; F469-A496 WeakPolarHBondContact CE2-O 3.34Å; F469-A496 HydrophobicContact CG-CB 4.1Å; F469-A496 HydrophobicContact CZ-CB 3.77Å; D492-A496 WeakPolarHBondContact O-CB 3.37Å; D492-A496 PolarHBondContact O-N 3.39Å; D492-A496 VanDerWaalsContact O-N 3.17Å; N494-A496 VanDerWaalsContact C-N 3.33Å; N494-A496 PolarHBondContact O-N 2.82Å; A496-T500 WeakPolarHBondContact O-CG2 3.45Å; A496-T500 PolarHBondContact O-N 3.17Å; A496-T500 PolarHBondContact O-OG1 3.2Å; A496-V550 HydrophobicContact CB-CG1 4.08Å
497	A	95.7	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-72.7	-29.4	176.9	0	0	0	0	0	113.7	K462 R465 I466 Y493 N494 E495 T500	K462-A497 HydrophobicContact CG-CB 4.15Å; R465-A497 HydrophobicContact CB-CB 3.86Å; R465-A497 VanDerWaalsContact CZ-O 3.22Å; R465-A497 PolarHBondContact NE-O 2.99Å; R465-A497 PolarHBondContact NH2-O 2.85Å; I466-A497 HydrophobicContact CB-CB 4.49Å; I466-A497 HydrophobicContact CG1-CB 3.51Å; Y493-A497 WeakPolarHBondContact O-CB 3.27Å; Y493-A497 PolarHBondContact O-N 2.96Å; N494-A497 PolarHBondContact O-N 3.39Å; E495-A497 VanDerWaalsContact C-N 3.33Å; E495-A497 PolarHBondContact O-N 3.03Å; A497-T500 PolarHBondContact O-OG1 2.93Å
498	E	95.8	Very high	93.9	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.533	23%	0.233	S	C	.	.	H	α-helix	trans	-71.7	-47.6	173.7	-74.1	-178.4	176.4	0	0	111.3	K462 N494 E495 T500 E501	K462-E498 HydrophobicContact CD-CG 4.2Å; K462-E498 IonicContact NZ-OE1 2.82Å; K462-E498 PolarHBondContact NZ-OE1 2.84Å; N494-E498 WeakPolarHBondContact O-CG 3.47Å; N494-E498 PolarHBondContact O-N 3.49Å; E495-E498 PolarHBondContact O-N 3.28Å; E498-T500 PolarHBondContact O-N 3.34Å; E498-E501 PolarHBondContact O-N 2.75Å
499	L	94.4	Very high	94.2	Very high	83 Å²	83	48.6 Å²	48.6	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-18.9	179.7	-65.8	172.6	0	0	0	114.1	E495 K551 I554	E495-L499 HydrophobicContact CG-CD1 4.08Å; E495-L499 WeakPolarHBondContact O-CG 3.48Å; E495-L499 PolarHBondContact O-N 3.45Å; L499-K551 HydrophobicContact CD1-CG 3.68Å; L499-I554 HydrophobicContact CB-CD1 3.66Å; L499-I554 HydrophobicContact CD1-CD1 4.39Å
500	T	94.3	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	28.6	178.1	49.4	0	0	0	0	114.5	R465 F469 A496 A497 E498 G502 Y503 I554	R465-T500 VanDerWaalsContact CD-O 3.28Å; R465-T500 WeakPolarHBondContact CD-O 3Å; R465-T500 PolarHBondContact NE-O 2.71Å; F469-T500 HydrophobicContact CE2-CG2 4.11Å; F469-T500 HydrophobicContact CZ-CG2 3.75Å; A496-T500 WeakPolarHBondContact O-CG2 3.45Å; A496-T500 PolarHBondContact O-N 3.17Å; A496-T500 PolarHBondContact O-OG1 3.2Å; A497-T500 PolarHBondContact O-OG1 2.93Å; E498-T500 PolarHBondContact O-N 3.34Å; T500-G502 PolarHBondContact O-N 3.14Å; T500-Y503 VanDerWaalsContact C-CD2 3.46Å; T500-Y503 HydrophobicContact CG2-CD1 4.19Å; T500-Y503 HydrophobicContact CG2-CD2 4.27Å; T500-Y503 HydrophobicContact CG2-CG 4.11Å; T500-Y503 WeakPolarHBondContact O-CB 3.31Å; T500-Y503 WeakPolarHBondContact O-CD2 3.3Å; T500-Y503 PolarHBondContact O-N 2.81Å; T500-I554 HydrophobicContact CG2-CD1 3.71Å; T500-I554 HydrophobicContact CG2-CG1 3.93Å
501	E	92.9	Very high	94.7	Very high	121 Å²	121	45.4 Å²	45.4	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	127	171.2	-168.5	-178.2	-136.8	0	0	112.4	E498 R562	E498-E501 PolarHBondContact O-N 2.75Å; E501-R562 PolarHBondContact O-NH1 3.19Å
502	G	92.5	Very high	94.9	Very high	12 Å²	12	44.4 Å²	44.4	12%	0.124	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	2.6	-179	0	0	0	0	0	115.3	T500	T500-G502 PolarHBondContact O-N 3.14Å
503	Y	94.7	Very high	94.9	Very high	12 Å²	12	47.5 Å²	47.5	5%	0.047	23%	0.234	C	C	.	.			trans	-83	139.1	176.3	-74.7	-117.6	0	0	0	111.1	P460 T500 D507 V511 T557 P559	P460-Y503 WeakPolarHBondContact CD-O 3.43Å; P460-Y503 WeakPolarHBondContact CG-O 3.3Å; T500-Y503 VanDerWaalsContact C-CD2 3.46Å; T500-Y503 HydrophobicContact CG2-CD1 4.19Å; T500-Y503 HydrophobicContact CG2-CD2 4.27Å; T500-Y503 HydrophobicContact CG2-CG 4.11Å; T500-Y503 WeakPolarHBondContact O-CB 3.31Å; T500-Y503 WeakPolarHBondContact O-CD2 3.3Å; T500-Y503 PolarHBondContact O-N 2.81Å; Y503-D507 HydrophobicContact CD1-CB 3.58Å; Y503-D507 HydrophobicContact CE1-CB 4.46Å; Y503-D507 HydrophobicContact CG-CB 4.21Å; Y503-V511 HydrophobicContact CD1-CG2 4.19Å; Y503-V511 HydrophobicContact CE1-CG2 3.89Å; Y503-T557 WeakPolarHBondContact CE1-O 3.48Å; Y503-T557 PolarHBondContact OH-O 3.12Å; Y503-P559 HydrophobicContact CD1-CB 4.31Å; Y503-P559 HydrophobicContact CD2-CB 3.75Å; Y503-P559 HydrophobicContact CD2-CG 4.29Å; Y503-P559 HydrophobicContact CE1-CB 4.36Å; Y503-P559 HydrophobicContact CE2-CB 3.83Å; Y503-P559 HydrophobicContact CE2-CG 3.93Å; Y503-P559 HydrophobicContact CG-CB 3.97Å
504	S	94.8	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.			trans	-76.9	167.2	169.4	71.6	0	0	0	0	111.7	S506 D507 I508	S504-S506 PolarHBondContact O-N 3.14Å; S504-S506 PolarHBondContact OG-N 2.74Å; S504-D507 VanDerWaalsContact CB-OD2 3.31Å; S504-D507 WeakPolarHBondContact CB-OD2 3.36Å; S504-D507 PolarHBondContact N-OD2 2.87Å; S504-D507 PolarHBondContact O-N 3.06Å; S504-D507 PolarHBondContact OG-N 3.04Å; S504-D507 VanDerWaalsContact OG-N 3.16Å; S504-D507 PolarHBondContact OG-OD1 3.1Å; S504-D507 PolarHBondContact OG-OD2 3.35Å; S504-I508 WeakPolarHBondContact O-CG1 3.36Å; S504-I508 PolarHBondContact O-N 3.09Å
505	G	94.3	Very high	94.8	Very high	13 Å²	13	44 Å²	44	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-26	174.4	0	0	0	0	0	113.6	G320 R509	G320-G505 WeakPolarHBondContact O-CA 3.32Å; G320-G505 PolarHBondContact O-N 2.78Å; G505-R509 WeakPolarHBondContact O-CB 3.43Å; G505-R509 PolarHBondContact O-N 2.63Å
506	S	94	Very high	94.7	Very high	66 Å²	66	41.5 Å²	41.5	46%	0.462	21%	0.208	S	C	.	.	H	α-helix	trans	-72.5	-40.7	169.5	-74.6	0	0	0	0	112.6	G320 S504 R509 L510	G320-S506 WeakPolarHBondContact CA-OG 3.3Å; G320-S506 PolarHBondContact O-N 3.17Å; S504-S506 PolarHBondContact O-N 3.14Å; S504-S506 PolarHBondContact OG-N 2.74Å; S506-R509 PolarHBondContact O-N 3Å; S506-L510 PolarHBondContact O-N 2.91Å
507	D	95.9	Very high	94.5	Very high	11 Å²	11	44 Å²	44	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-67.6	-41	178.7	-51.2	-45.2	0	0	0	110.8	Y503 S504 L510 V511 S560	Y503-D507 HydrophobicContact CD1-CB 3.58Å; Y503-D507 HydrophobicContact CE1-CB 4.46Å; Y503-D507 HydrophobicContact CG-CB 4.21Å; S504-D507 VanDerWaalsContact CB-OD2 3.31Å; S504-D507 WeakPolarHBondContact CB-OD2 3.36Å; S504-D507 PolarHBondContact N-OD2 2.87Å; S504-D507 PolarHBondContact O-N 3.06Å; S504-D507 PolarHBondContact OG-N 3.04Å; S504-D507 VanDerWaalsContact OG-N 3.16Å; S504-D507 PolarHBondContact OG-OD1 3.1Å; S504-D507 PolarHBondContact OG-OD2 3.35Å; D507-L510 WeakPolarHBondContact O-CB 3.37Å; D507-L510 PolarHBondContact O-N 2.99Å; D507-L510 VanDerWaalsContact O-N 3.13Å; D507-V511 WeakPolarHBondContact O-CG2 3.49Å; D507-V511 PolarHBondContact O-N 3.37Å; D507-S560 VanDerWaalsContact CG-OG 3.26Å; D507-S560 VanDerWaalsContact OD1-CB 3.28Å; D507-S560 WeakPolarHBondContact OD1-CB 3.5Å; D507-S560 PolarHBondContact OD1-N 3.05Å; D507-S560 PolarHBondContact OD1-OG 3.41Å; D507-S560 PolarHBondContact OD2-N 2.65Å; D507-S560 PolarHBondContact OD2-OG 2.84Å; D507-S560 VanDerWaalsContact OD2-OG 3.08Å
508	I	96.1	Very high	94.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-43.4	175.3	-63.5	165.6	0	0	0	110.5	P460 R465 M468 F469 F472 S504 L510 V511 C512	P460-I508 HydrophobicContact CG-CD1 3.88Å; R465-I508 HydrophobicContact CB-CD1 4.15Å; R465-I508 HydrophobicContact CG-CD1 3.62Å; M468-I508 HydrophobicContact CB-CG2 3.97Å; M468-I508 HydrophobicContact SD-CD1 3.87Å; F469-I508 HydrophobicContact CD2-CG2 4.36Å; F469-I508 HydrophobicContact CE1-CG2 4.26Å; F469-I508 HydrophobicContact CE2-CG2 4.08Å; F469-I508 HydrophobicContact CZ-CG2 4.03Å; F472-I508 HydrophobicContact CD2-CG2 4.29Å; F472-I508 HydrophobicContact CE2-CG2 4.4Å; S504-I508 WeakPolarHBondContact O-CG1 3.36Å; S504-I508 PolarHBondContact O-N 3.09Å; I508-L510 PolarHBondContact O-N 2.82Å; I508-V511 PolarHBondContact O-N 2.94Å; I508-C512 WeakPolarHBondContact O-CB 3.2Å; I508-C512 PolarHBondContact O-N 2.76Å; I508-C512 PolarHBondContact O-SG 3.17Å
509	R	95.3	Very high	93.8	Very high	145 Å²	145	41.9 Å²	41.9	55%	0.547	21%	0.207	S	C	.	.	H	α-helix	trans	-59.4	-35.9	173.6	-172.7	-175.7	-66.8	-106.5	2.3	112.1	F472 G505 S506 K513	F472-R509 HydrophobicContact CD2-CB 4.01Å; F472-R509 HydrophobicContact CD2-CG 4.39Å; F472-R509 HydrophobicContact CE2-CB 3.67Å; F472-R509 HydrophobicContact CE2-CG 4.26Å; F472-R509 HydrophobicContact CZ-CB 4.12Å; F472-R509 HydrophobicContact CZ-CG 4.38Å; G505-R509 WeakPolarHBondContact O-CB 3.43Å; G505-R509 PolarHBondContact O-N 2.63Å; S506-R509 PolarHBondContact O-N 3Å; R509-K513 WeakPolarHBondContact O-CB 3.34Å; R509-K513 PolarHBondContact O-N 2.72Å
510	L	95.8	Very high	93.4	Very high	90 Å²	90	39.1 Å²	39.1	47%	0.471	19%	0.194	S	C	.	.	H	α-helix	trans	-70.7	-44.4	176.4	-177.8	57.7	0	0	0	111.9	S506 D507 I508 C512 K513 E514 T557	S506-L510 PolarHBondContact O-N 2.91Å; D507-L510 WeakPolarHBondContact O-CB 3.37Å; D507-L510 PolarHBondContact O-N 2.99Å; D507-L510 VanDerWaalsContact O-N 3.13Å; I508-L510 PolarHBondContact O-N 2.82Å; L510-C512 VanDerWaalsContact C-N 3.34Å; L510-C512 PolarHBondContact O-N 2.69Å; L510-K513 PolarHBondContact O-N 2.91Å; L510-E514 WeakPolarHBondContact O-CB 3.03Å; L510-E514 PolarHBondContact O-N 3.19Å; L510-T557 HydrophobicContact CB-CG2 4.28Å; L510-T557 HydrophobicContact CD2-CG2 3.78Å; L510-T557 HydrophobicContact CG-CG2 3.88Å
511	V	96.3	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.5	-48.1	171.6	168.7	0	0	0	0	110.8	F469 Y503 D507 I508 K513 E514 A515 V550 A553 I554 T557	F469-V511 HydrophobicContact CE1-CG1 4.19Å; F469-V511 HydrophobicContact CZ-CG1 4.4Å; Y503-V511 HydrophobicContact CD1-CG2 4.19Å; Y503-V511 HydrophobicContact CE1-CG2 3.89Å; D507-V511 WeakPolarHBondContact O-CG2 3.49Å; D507-V511 PolarHBondContact O-N 3.37Å; I508-V511 PolarHBondContact O-N 2.94Å; V511-K513 PolarHBondContact O-N 3.06Å; V511-E514 PolarHBondContact O-N 2.87Å; V511-A515 PolarHBondContact O-N 2.86Å; V511-V550 HydrophobicContact CG1-CG1 4.06Å; V511-A553 HydrophobicContact CG1-CB 4.15Å; V511-I554 HydrophobicContact CG1-CG1 3.68Å; V511-I554 HydrophobicContact CG2-CG1 4.18Å; V511-T557 HydrophobicContact CG2-CG2 3.87Å
512	C	95.3	Very high	92.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-45.8	178	-70.1	0	0	0	0	112.4	F469 F472 L473 I508 L510 E514 A516	F469-C512 WeakPolarHBondContact CD1-SG 2.97Å; F469-C512 VanDerWaalsContact CE1-SG 3.54Å; F472-C512 HydrophobicContact CB-CB 3.74Å; F472-C512 HydrophobicContact CD2-CB 4.46Å; L473-C512 HydrophobicContact CD1-CB 4.01Å; L473-C512 HydrophobicContact CD2-CB 4.35Å; L473-C512 HydrophobicContact CG-CB 3.82Å; I508-C512 WeakPolarHBondContact O-CB 3.2Å; I508-C512 PolarHBondContact O-N 2.76Å; I508-C512 PolarHBondContact O-SG 3.17Å; L510-C512 VanDerWaalsContact C-N 3.34Å; L510-C512 PolarHBondContact O-N 2.69Å; C512-E514 VanDerWaalsContact C-N 3.3Å; C512-E514 PolarHBondContact O-N 3.43Å; C512-A516 PolarHBondContact O-N 3.4Å; C512-A516 VanDerWaalsContact O-N 3.13Å
513	K	94.2	Very high	92.1	Very high	139 Å²	139	42.6 Å²	42.6	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-60	-41.9	175	-175.1	-176.5	177.1	-172.4	0	111.3	R509 L510 V511 A516 M517	R509-K513 WeakPolarHBondContact O-CB 3.34Å; R509-K513 PolarHBondContact O-N 2.72Å; L510-K513 PolarHBondContact O-N 2.91Å; V511-K513 PolarHBondContact O-N 3.06Å; K513-A516 PolarHBondContact O-N 3.04Å; K513-M517 HydrophobicContact CG-CG 4.39Å; K513-M517 WeakPolarHBondContact O-CB 3.33Å; K513-M517 VanDerWaalsContact O-CG 3.28Å; K513-M517 WeakPolarHBondContact O-CG 3.36Å; K513-M517 PolarHBondContact O-N 2.91Å
514	E	94.9	Very high	91.6	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.192	22%	0.221	C	C	.	.	H	α-helix	trans	-74.1	-34	-175.7	-175.5	60.1	-174.8	0	0	113	L510 V511 C512 M517 R518 R521 A553	L510-E514 WeakPolarHBondContact O-CB 3.03Å; L510-E514 PolarHBondContact O-N 3.19Å; V511-E514 PolarHBondContact O-N 2.87Å; C512-E514 VanDerWaalsContact C-N 3.3Å; C512-E514 PolarHBondContact O-N 3.43Å; E514-M517 PolarHBondContact O-N 2.6Å; E514-R518 PolarHBondContact O-N 3.41Å; E514-R518 VanDerWaalsContact O-N 3.1Å; E514-R521 IonicContact OE1-CZ 2.69Å; E514-R521 IonicContact OE1-NH1 3.41Å; E514-R521 PolarHBondContact OE1-NH1 3.49Å; E514-R521 IonicContact OE1-NH2 2.71Å; E514-R521 PolarHBondContact OE1-NH2 3.45Å; E514-R521 IonicContact OE2-CZ 3.51Å; E514-R521 IonicContact OE2-NH1 2.82Å; E514-R521 IonicContact OE2-NH2 3.2Å; E514-R521 PolarHBondContact OE2-NH2 3.27Å; E514-A553 HydrophobicContact CB-CB 4.12Å; E514-A553 HydrophobicContact CG-CB 4.14Å
515	A	93.8	Very high	91.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-45.7	169	0	0	0	0	0	111.5	L473 V511 M517 R518 I545 D549 V550 A553	L473-A515 HydrophobicContact CD1-CB 4.31Å; V511-A515 PolarHBondContact O-N 2.86Å; A515-M517 PolarHBondContact O-N 2.71Å; A515-R518 PolarHBondContact O-N 3.25Å; A515-I545 HydrophobicContact CB-CG2 4.11Å; A515-D549 HydrophobicContact CB-CB 4.39Å; A515-V550 HydrophobicContact CB-CG2 3.8Å; A515-A553 HydrophobicContact CB-CB 4.12Å
516	A	92	Very high	90.4	Very high	18 Å²	18	55.2 Å²	55.2	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-39.6	173.5	0	0	0	0	0	112.4	L473 C512 K513 R518 V519 V520 I545	L473-A516 HydrophobicContact CD2-CB 4.32Å; C512-A516 PolarHBondContact O-N 3.4Å; C512-A516 VanDerWaalsContact O-N 3.13Å; K513-A516 PolarHBondContact O-N 3.04Å; A516-R518 VanDerWaalsContact C-N 3.26Å; A516-R518 PolarHBondContact O-N 2.85Å; A516-V519 PolarHBondContact O-N 2.82Å; A516-V520 WeakPolarHBondContact O-CG2 3.35Å; A516-V520 PolarHBondContact O-N 3.44Å; A516-I545 HydrophobicContact CB-CD1 3.75Å
517	M	91	Very high	89.7	Confident	55 Å²	55	55.9 Å²	55.9	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-23	176.9	-75.7	-59.4	-52.6	0	0	113.5	K513 E514 A515 V520 R521 F524	K513-M517 HydrophobicContact CG-CG 4.39Å; K513-M517 WeakPolarHBondContact O-CB 3.33Å; K513-M517 VanDerWaalsContact O-CG 3.28Å; K513-M517 WeakPolarHBondContact O-CG 3.36Å; K513-M517 PolarHBondContact O-N 2.91Å; E514-M517 PolarHBondContact O-N 2.6Å; A515-M517 PolarHBondContact O-N 2.71Å; M517-V520 HydrophobicContact CE-CG1 4.44Å; M517-V520 PolarHBondContact O-N 3.37Å; M517-V520 HydrophobicContact SD-CB 4.45Å; M517-R521 HydrophobicContact CE-CG 4.43Å; M517-R521 WeakPolarHBondContact O-CB 3.36Å; M517-R521 WeakPolarHBondContact O-CG 3.37Å; M517-R521 PolarHBondContact O-N 3.37Å; M517-F524 HydrophobicContact CE-CE2 4.36Å
518	R	90	Very high	89	Confident	68 Å²	68	63.2 Å²	63.2	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-48.7	170.6	-82.5	-161.9	171.3	76	10.5	112.3	E514 A515 A516 V520 R521 K522 D549 A552	E514-R518 PolarHBondContact O-N 3.41Å; E514-R518 VanDerWaalsContact O-N 3.1Å; A515-R518 PolarHBondContact O-N 3.25Å; A516-R518 VanDerWaalsContact C-N 3.26Å; A516-R518 PolarHBondContact O-N 2.85Å; R518-V520 VanDerWaalsContact C-N 3.31Å; R518-V520 PolarHBondContact O-N 3.28Å; R518-R521 PolarHBondContact O-N 3.3Å; R518-K522 PolarHBondContact O-N 3.44Å; R518-D549 PolarHBondContact NH1-O 3.33Å; R518-A552 PolarHBondContact NH1-O 3.06Å; R518-A552 VanDerWaalsContact NH2-C 3.34Å; R518-A552 PolarHBondContact NH2-O 3.31Å
519	V	86.5	Confident	88.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-42.4	177.1	179.1	0	0	0	0	110.1	L487 A516 K522 D543 I545	L487-V519 HydrophobicContact CD2-CG1 4.07Å; A516-V519 PolarHBondContact O-N 2.82Å; V519-K522 PolarHBondContact O-N 2.9Å; V519-D543 WeakPolarHBondContact CG1-O 3.33Å; V519-I545 HydrophobicContact CG2-CG1 3.82Å
520	V	86.7	Confident	86.6	Confident	24 Å²	24	64.9 Å²	64.9	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-35	-179.3	-179.6	0	0	0	0	113	L485 L487 A516 M517 R518 K522 I523 F524	L485-V520 HydrophobicContact CD2-CG2 3.95Å; L487-V520 HydrophobicContact CD1-CG2 4.42Å; A516-V520 WeakPolarHBondContact O-CG2 3.35Å; A516-V520 PolarHBondContact O-N 3.44Å; M517-V520 HydrophobicContact CE-CG1 4.44Å; M517-V520 PolarHBondContact O-N 3.37Å; M517-V520 HydrophobicContact SD-CB 4.45Å; R518-V520 VanDerWaalsContact C-N 3.31Å; R518-V520 PolarHBondContact O-N 3.28Å; V520-K522 PolarHBondContact O-N 2.89Å; V520-I523 WeakPolarHBondContact O-CA 3.27Å; V520-I523 VanDerWaalsContact O-CB 3.29Å; V520-I523 WeakPolarHBondContact O-CB 3.42Å; V520-I523 PolarHBondContact O-N 2.59Å; V520-F524 HydrophobicContact CG1-CD2 4.29Å; V520-F524 HydrophobicContact CG1-CE2 3.64Å; V520-F524 HydrophobicContact CG1-CZ 3.86Å; V520-F524 PolarHBondContact O-N 2.88Å
521	R	88.9	Confident	84.7	Confident	96 Å²	96	64.9 Å²	64.9	36%	0.362	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-42.5	176.5	-77	169.6	-164.7	137.6	-2.6	112.5	E514 M517 R518 I523 F524 D525	E514-R521 IonicContact OE1-CZ 2.69Å; E514-R521 IonicContact OE1-NH1 3.41Å; E514-R521 PolarHBondContact OE1-NH1 3.49Å; E514-R521 IonicContact OE1-NH2 2.71Å; E514-R521 PolarHBondContact OE1-NH2 3.45Å; E514-R521 IonicContact OE2-CZ 3.51Å; E514-R521 IonicContact OE2-NH1 2.82Å; E514-R521 IonicContact OE2-NH2 3.2Å; E514-R521 PolarHBondContact OE2-NH2 3.27Å; M517-R521 HydrophobicContact CE-CG 4.43Å; M517-R521 WeakPolarHBondContact O-CB 3.36Å; M517-R521 WeakPolarHBondContact O-CG 3.37Å; M517-R521 PolarHBondContact O-N 3.37Å; R518-R521 PolarHBondContact O-N 3.3Å; R521-I523 PolarHBondContact O-N 3.32Å; R521-I523 VanDerWaalsContact O-N 3.12Å; R521-F524 WeakPolarHBondContact O-CA 3.41Å; R521-F524 WeakPolarHBondContact O-CB 3.49Å; R521-F524 PolarHBondContact O-N 3Å; R521-D525 VanDerWaalsContact O-CG 3.27Å; R521-D525 PolarHBondContact O-N 2.81Å
522	K	84.5	Confident	82.9	Confident	89 Å²	89	72.4 Å²	72.4	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-52.6	-35.5	172	-64.2	172	174	174.4	0	112.2	R518 V519 V520 I526 D543	R518-K522 PolarHBondContact O-N 3.44Å; V519-K522 PolarHBondContact O-N 2.9Å; V520-K522 PolarHBondContact O-N 2.89Å; K522-I526 WeakPolarHBondContact O-CD1 3.5Å; K522-I526 VanDerWaalsContact O-CG1 3.25Å; K522-I526 WeakPolarHBondContact O-CG1 3.36Å; K522-I526 PolarHBondContact O-N 2.96Å; K522-I526 VanDerWaalsContact O-N 3.1Å; K522-D543 IonicContact NZ-OD2 3.91Å; K522-D543 PolarHBondContact NZ-OD2 3.41Å
523	I	79.8	Confident	81	Confident	22 Å²	22	81.4 Å²	81.4	11%	0.113	40%	0.404	C	S	.	.	H	α-helix	trans	-68.8	-44.1	177.3	-47.2	169.4	0	0	0	110.3	L485 V520 R521 I526 L527 F542	L485-I523 HydrophobicContact CD1-CD1 4.39Å; L485-I523 HydrophobicContact CD2-CD1 4.21Å; V520-I523 WeakPolarHBondContact O-CA 3.27Å; V520-I523 VanDerWaalsContact O-CB 3.29Å; V520-I523 WeakPolarHBondContact O-CB 3.42Å; V520-I523 PolarHBondContact O-N 2.59Å; R521-I523 PolarHBondContact O-N 3.32Å; R521-I523 VanDerWaalsContact O-N 3.12Å; I523-I526 PolarHBondContact O-N 3.06Å; I523-L527 HydrophobicContact CG2-CD1 3.87Å; I523-L527 HydrophobicContact CG2-CG 4.24Å; I523-L527 WeakPolarHBondContact O-CB 3.3Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.41Å; I523-L527 PolarHBondContact O-N 2.73Å; I523-F542 HydrophobicContact CD1-CD1 3.56Å; I523-F542 HydrophobicContact CD1-CE1 3.53Å; I523-F542 HydrophobicContact CG1-CD1 4.04Å; I523-F542 HydrophobicContact CG1-CE1 4.08Å
524	F	83.7	Confident	79	Confident	102 Å²	102	81.6 Å²	81.6	45%	0.447	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.3	-62.4	-47.6	0	0	0	111.8	M517 V520 R521 I526 L527 E528	M517-F524 HydrophobicContact CE-CE2 4.36Å; V520-F524 HydrophobicContact CG1-CD2 4.29Å; V520-F524 HydrophobicContact CG1-CE2 3.64Å; V520-F524 HydrophobicContact CG1-CZ 3.86Å; V520-F524 PolarHBondContact O-N 2.88Å; R521-F524 WeakPolarHBondContact O-CA 3.41Å; R521-F524 WeakPolarHBondContact O-CB 3.49Å; R521-F524 PolarHBondContact O-N 3Å; F524-I526 VanDerWaalsContact C-N 3.26Å; F524-I526 PolarHBondContact O-N 2.8Å; F524-L527 PolarHBondContact O-N 3.04Å; F524-L527 VanDerWaalsContact O-N 3.11Å; F524-E528 PolarHBondContact O-N 3.33Å
525	D	83.6	Confident	77	Confident	96 Å²	96	83.5 Å²	83.5	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-56.8	-41.2	175.6	-57.6	-39.2	0	0	0	111.3	R521 N529	R521-D525 VanDerWaalsContact O-CG 3.27Å; R521-D525 PolarHBondContact O-N 2.81Å; D525-N529 WeakPolarHBondContact O-CB 3.19Å; D525-N529 PolarHBondContact O-N 3.29Å; D525-N529 PolarHBondContact O-ND2 3.3Å
526	I	80.4	Confident	74.7	Confident	91 Å²	91	87.7 Å²	87.7	47%	0.467	45%	0.45	S	S	.	.	H	α-helix	trans	-69.1	-43.8	175.7	-68.7	163.9	0	0	0	111.4	K522 I523 F524 S530	K522-I526 WeakPolarHBondContact O-CD1 3.5Å; K522-I526 VanDerWaalsContact O-CG1 3.25Å; K522-I526 WeakPolarHBondContact O-CG1 3.36Å; K522-I526 PolarHBondContact O-N 2.96Å; K522-I526 VanDerWaalsContact O-N 3.1Å; I523-I526 PolarHBondContact O-N 3.06Å; F524-I526 VanDerWaalsContact C-N 3.26Å; F524-I526 PolarHBondContact O-N 2.8Å; I526-S530 WeakPolarHBondContact O-CB 3.38Å; I526-S530 PolarHBondContact O-N 2.86Å; I526-S530 PolarHBondContact O-OG 3.26Å
527	L	79.4	Confident	72.6	Confident	80 Å²	80	96.8 Å²	96.8	42%	0.419	49%	0.489	S	S	.	.	H	α-helix	trans	-69.6	-35.9	-177	-72.8	172.7	0	0	0	113.2	I523 F524 L535	I523-L527 HydrophobicContact CG2-CD1 3.87Å; I523-L527 HydrophobicContact CG2-CG 4.24Å; I523-L527 WeakPolarHBondContact O-CB 3.3Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.41Å; I523-L527 PolarHBondContact O-N 2.73Å; F524-L527 PolarHBondContact O-N 3.04Å; F524-L527 VanDerWaalsContact O-N 3.11Å; L527-L535 HydrophobicContact CD2-CD2 4.3Å
528	E	81.6	Confident	70.4	Confident	165 Å²	165	98.8 Å²	98.8	77%	0.771	51%	0.505	S	S	*	.	H	α-helix	trans	-76.7	-31.8	178.6	-69.5	-174.2	-175	0	0	112.4	F524	F524-E528 PolarHBondContact O-N 3.33Å
529	N	77.2	Confident	68.7	Low	138 Å²	138	104.5 Å²	104.5	74%	0.738	54%	0.535	S	S	*	.	H	α-helix	trans	-83.9	-16.9	175.4	-72.5	-74.4	0	0	0	113.8	D525 S531	D525-N529 WeakPolarHBondContact O-CB 3.19Å; D525-N529 PolarHBondContact O-N 3.29Å; D525-N529 PolarHBondContact O-ND2 3.3Å; N529-S531 PolarHBondContact O-N 3.15Å
530	S	62.9	Low	67.4	Low	43 Å²	43	107.8 Å²	107.8	30%	0.301	55%	0.552	S	S	.	*	S	Bend	trans	-88.8	100.8	179.8	-61.8	0	0	0	0	111.6	I526 I532	I526-S530 WeakPolarHBondContact O-CB 3.38Å; I526-S530 PolarHBondContact O-N 2.86Å; I526-S530 PolarHBondContact O-OG 3.26Å; S530-I532 PolarHBondContact O-N 3.47Å; S530-I532 VanDerWaalsContact O-N 3.17Å
531	S	57	Low	66.3	Low	90 Å²	90	113.8 Å²	113.8	63%	0.629	58%	0.578	S	S	*	*			trans	-50.3	123	170.5	-60.6	0	0	0	0	111.1	N529 E533 N534	N529-S531 PolarHBondContact O-N 3.15Å; S531-E533 PolarHBondContact O-N 3.45Å; S531-N534 PolarHBondContact O-N 2.75Å
532	I	57.9	Low	65.5	Low	158 Å²	158	112.4 Å²	112.4	81%	0.81	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-52.2	-29	-163.8	-64.5	168.7	0	0	0	113.9	S530 N534	S530-I532 PolarHBondContact O-N 3.47Å; S530-I532 VanDerWaalsContact O-N 3.17Å; I532-N534 VanDerWaalsContact C-N 3.33Å; I532-N534 PolarHBondContact O-N 3.46Å
533	E	54.4	Low	65.3	Low	192 Å²	192	111.7 Å²	111.7	90%	0.897	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-76.8	-12.6	-176.3	-57.3	-177.1	150.2	0	0	114.5	S531	S531-E533 PolarHBondContact O-N 3.45Å
534	N	51.8	Low	65.7	Low	142 Å²	142	112.4 Å²	112.4	76%	0.759	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-114.1	7.3	-174.4	-87.4	-42.1	0	0	0	115.1	S531 I532 P536	S531-N534 PolarHBondContact O-N 2.75Å; I532-N534 VanDerWaalsContact C-N 3.33Å; I532-N534 PolarHBondContact O-N 3.46Å; N534-P536 VanDerWaalsContact O-CD 3.25Å; N534-P536 WeakPolarHBondContact O-CD 3.29Å
535	L	53.6	Low	66	Low	81 Å²	81	107.6 Å²	107.6	42%	0.424	56%	0.56	S	S	.	*			trans	-70.8	117.7	171.4	-75.7	86.6	0	0	0	109.7	L527	L527-L535 HydrophobicContact CD2-CD2 4.3Å
536	P	46.4	Very low	66.5	Low	89 Å²	89	105.3 Å²	105.3	58%	0.578	55%	0.55	S	S	*	.			trans	-68.9	162.9	167.5	-4	21.7	0	0	0	108.9	N534 T538	N534-P536 VanDerWaalsContact O-CD 3.25Å; N534-P536 WeakPolarHBondContact O-CD 3.29Å; P536-T538 HydrophobicContact CB-CG2 4.04Å; P536-T538 WeakPolarHBondContact CB-OG1 3.46Å; P536-T538 PolarHBondContact O-N 3.12Å
537	Q	47.3	Very low	67.1	Low	208 Å²	208	102 Å²	102	97%	0.972	53%	0.533	S	S	*	.	S	Bend	trans	-70	19.8	172.5	-64.5	177.1	-20	0	0	113.1	Q539	Q537-Q539 PolarHBondContact O-N 2.87Å
538	T	44.6	Very low	67.8	Low	98 Å²	98	103.8 Å²	103.8	60%	0.601	54%	0.54	S	S	*	.			trans	-74.9	113.1	179.7	42.9	0	0	0	0	110.8	P536 I540	P536-T538 HydrophobicContact CB-CG2 4.04Å; P536-T538 WeakPolarHBondContact CB-OG1 3.46Å; P536-T538 PolarHBondContact O-N 3.12Å; T538-I540 PolarHBondContact O-N 3Å
539	Q	54.3	Low	68.3	Low	188 Å²	188	97 Å²	97	88%	0.879	51%	0.509	S	S	*	.			trans	-31	113.2	164.8	-61.7	162.3	1.7	0	0	112.1	Q537 H541	Q537-Q539 PolarHBondContact O-N 2.87Å; Q539-H541 PolarHBondContact O-N 3.43Å
540	I	59.7	Low	69.1	Low	72 Å²	72	90.6 Å²	90.6	37%	0.369	47%	0.474	S	S	.	.			trans	-66.8	108.8	170.8	-58.3	176.2	0	0	0	106.9	T538 F542	T538-I540 PolarHBondContact O-N 3Å; I540-F542 HydrophobicContact CB-CE1 3.93Å; I540-F542 HydrophobicContact CB-CZ 4.07Å; I540-F542 HydrophobicContact CG2-CD1 4.02Å; I540-F542 HydrophobicContact CG2-CE1 3.53Å; I540-F542 HydrophobicContact CG2-CZ 4.18Å; I540-F542 WeakPolarHBondContact O-CE2 3.35Å; I540-F542 WeakPolarHBondContact O-CZ 3.48Å; I540-F542 PolarHBondContact O-N 3.3Å
541	H	63.8	Low	70.6	Confident	150 Å²	150	91 Å²	91	69%	0.694	47%	0.471	S	S	*	.			trans	-78.4	114.3	176.8	-177.2	-76.1	0	0	0	109.5	Q539	Q539-H541 PolarHBondContact O-N 3.43Å
542	F	71.1	Confident	72.4	Confident	66 Å²	66	88.2 Å²	88.2	29%	0.289	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-80	130.5	179.2	-50.1	-63.9	0	0	0	111.2	L485 L487 I523 I540	L485-F542 HydrophobicContact CD1-CD1 3.88Å; L485-F542 HydrophobicContact CD1-CD2 3.57Å; L485-F542 HydrophobicContact CD1-CE1 3.66Å; L485-F542 HydrophobicContact CD1-CE2 3.33Å; L485-F542 HydrophobicContact CD1-CG 3.85Å; L485-F542 HydrophobicContact CD1-CZ 3.38Å; L487-F542 HydrophobicContact CD2-CB 3.98Å; L487-F542 HydrophobicContact CD2-CG 4.24Å; I523-F542 HydrophobicContact CD1-CD1 3.56Å; I523-F542 HydrophobicContact CD1-CE1 3.53Å; I523-F542 HydrophobicContact CG1-CD1 4.04Å; I523-F542 HydrophobicContact CG1-CE1 4.08Å; I540-F542 HydrophobicContact CB-CE1 3.93Å; I540-F542 HydrophobicContact CB-CZ 4.07Å; I540-F542 HydrophobicContact CG2-CD1 4.02Å; I540-F542 HydrophobicContact CG2-CE1 3.53Å; I540-F542 HydrophobicContact CG2-CZ 4.18Å; I540-F542 WeakPolarHBondContact O-CE2 3.35Å; I540-F542 WeakPolarHBondContact O-CZ 3.48Å; I540-F542 PolarHBondContact O-N 3.3Å
543	D	80.8	Confident	74.2	Confident	75 Å²	75	80.7 Å²	80.7	40%	0.401	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-56.9	139.5	166.5	-70.3	-24	0	0	0	109.7	V519 K522	V519-D543 WeakPolarHBondContact CG1-O 3.33Å; K522-D543 IonicContact NZ-OD2 3.91Å; K522-D543 PolarHBondContact NZ-OD2 3.41Å
544	P	88.2	Confident	76.1	Confident	37 Å²	37	72.4 Å²	72.4	24%	0.24	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-67.5	145.9	169.6	30.5	-34.3	0	0	0	110.3	K488 Y490 T546	K488-P544 HydrophobicContact CB-CB 4.09Å; K488-P544 CarbonylContact O-C 3.57Å; K488-P544 VanDerWaalsContact O-CA 3.23Å; K488-P544 WeakPolarHBondContact O-CA 3.21Å; Y490-P544 HydrophobicContact CD2-CB 3.42Å; Y490-P544 VanDerWaalsContact CD2-CB 3.42Å; Y490-P544 HydrophobicContact CD2-CG 3.65Å; Y490-P544 HydrophobicContact CE2-CB 3.67Å; Y490-P544 HydrophobicContact CE2-CG 3.89Å; Y490-P544 HydrophobicContact CG-CB 4.41Å; P544-T546 PolarHBondContact O-N 3.48Å
545	I	90.8	Very high	78	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.1	170.5	-53	170.4	0	0	0	107.8	L473 I477 L487 K488 Y490 L491 A515 A516 V519 D549	L473-I545 HydrophobicContact CD2-CD1 4Å; I477-I545 HydrophobicContact CD1-CD1 4.01Å; L487-I545 HydrophobicContact CB-CD1 4.43Å; L487-I545 HydrophobicContact CD1-CD1 4.1Å; K488-I545 PolarHBondContact O-N 3.26Å; Y490-I545 PolarHBondContact N-O 3.1Å; L491-I545 HydrophobicContact CD2-CG2 4.31Å; A515-I545 HydrophobicContact CB-CG2 4.11Å; A516-I545 HydrophobicContact CB-CD1 3.75Å; V519-I545 HydrophobicContact CG2-CG1 3.82Å; I545-D549 HydrophobicContact CG2-CB 4.13Å
546	T	92.8	Very high	79.8	Confident	49 Å²	49	69.1 Å²	69.1	30%	0.301	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	164.9	-176.9	69.9	0	0	0	0	112.5	L491 P544 E548 D549 V550	L491-T546 WeakPolarHBondContact CD2-O 3.41Å; P544-T546 PolarHBondContact O-N 3.48Å; T546-E548 PolarHBondContact O-N 2.66Å; T546-E548 PolarHBondContact OG1-N 3.33Å; T546-D549 WeakPolarHBondContact CB-OD2 3.31Å; T546-D549 PolarHBondContact N-OD2 2.88Å; T546-D549 WeakPolarHBondContact O-CB 3.47Å; T546-D549 PolarHBondContact O-N 2.93Å; T546-D549 VanDerWaalsContact O-N 3.1Å; T546-D549 PolarHBondContact OG1-N 3.32Å; T546-D549 PolarHBondContact OG1-OD2 3.17Å; T546-V550 PolarHBondContact O-N 3.15Å
547	T	93.4	Very high	81.9	Confident	21 Å²	21	65.5 Å²	65.5	13%	0.129	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-26.1	173.8	-44.4	0	0	0	0	112.4	L491 D492 E495 V550 K551	L491-T547 WeakPolarHBondContact CA-OG1 3.28Å; D492-T547 PolarHBondContact N-OG1 2.78Å; E495-T547 HydrophobicContact CB-CG2 4.49Å; E495-T547 VanDerWaalsContact OE2-CG2 3.3Å; E495-T547 WeakPolarHBondContact OE2-CG2 3.45Å; T547-V550 PolarHBondContact O-N 3.24Å; T547-K551 WeakPolarHBondContact O-CG 3.46Å; T547-K551 PolarHBondContact O-N 3.13Å
548	E	93.6	Very high	83.9	Confident	118 Å²	118	61.7 Å²	61.7	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-69.2	-36.3	173.4	-60.3	-52.3	130.1	0	0	112.4	T546 V550 K551 A552	T546-E548 PolarHBondContact O-N 2.66Å; T546-E548 PolarHBondContact OG1-N 3.33Å; E548-V550 PolarHBondContact O-N 2.91Å; E548-K551 PolarHBondContact O-N 3.1Å; E548-K551 WeakPolarHBondContact OE1-CD 3.44Å; E548-K551 WeakPolarHBondContact OE1-CE 3.39Å; E548-K551 IonicContact OE1-NZ 2.73Å; E548-K551 PolarHBondContact OE1-NZ 3.38Å; E548-K551 WeakPolarHBondContact OE2-CD 3.34Å; E548-A552 VanDerWaalsContact O-CB 3.3Å; E548-A552 WeakPolarHBondContact O-CB 3.35Å; E548-A552 PolarHBondContact O-N 3.22Å
549	D	92.9	Very high	86.1	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-34.8	172.1	-63.3	-74.6	0	0	0	111.7	A515 R518 I545 T546 A553	A515-D549 HydrophobicContact CB-CB 4.39Å; R518-D549 PolarHBondContact NH1-O 3.33Å; I545-D549 HydrophobicContact CG2-CB 4.13Å; T546-D549 WeakPolarHBondContact CB-OD2 3.31Å; T546-D549 PolarHBondContact N-OD2 2.88Å; T546-D549 WeakPolarHBondContact O-CB 3.47Å; T546-D549 PolarHBondContact O-N 2.93Å; T546-D549 VanDerWaalsContact O-N 3.1Å; T546-D549 PolarHBondContact OG1-N 3.32Å; T546-D549 PolarHBondContact OG1-OD2 3.17Å; D549-A553 VanDerWaalsContact O-CB 3.3Å; D549-A553 WeakPolarHBondContact O-CB 3.4Å; D549-A553 PolarHBondContact O-N 3.26Å
550	V	94.4	Very high	87.7	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-47.3	174.9	178.5	0	0	0	0	111.3	F469 L473 L491 A496 V511 A515 T546 T547 E548 A552 A553 I554	F469-V550 HydrophobicContact CE1-CG1 3.9Å; F469-V550 HydrophobicContact CZ-CG1 4.36Å; L473-V550 HydrophobicContact CD1-CG2 4.14Å; L491-V550 HydrophobicContact CD1-CG2 4.43Å; L491-V550 HydrophobicContact CD2-CG2 3.77Å; A496-V550 HydrophobicContact CB-CG1 4.08Å; V511-V550 HydrophobicContact CG1-CG1 4.06Å; A515-V550 HydrophobicContact CB-CG2 3.8Å; T546-V550 PolarHBondContact O-N 3.15Å; T547-V550 PolarHBondContact O-N 3.24Å; E548-V550 PolarHBondContact O-N 2.91Å; V550-A552 VanDerWaalsContact C-N 3.31Å; V550-A552 PolarHBondContact O-N 3.32Å; V550-A553 CarbonylContact O-C 3.55Å; V550-A553 WeakPolarHBondContact O-CA 3.43Å; V550-A553 WeakPolarHBondContact O-CB 3.34Å; V550-A553 PolarHBondContact O-N 3.48Å; V550-I554 HydrophobicContact CG1-CD1 4.11Å; V550-I554 HydrophobicContact CG1-CG1 4.49Å; V550-I554 WeakPolarHBondContact O-CG1 3.34Å; V550-I554 PolarHBondContact O-N 2.9Å
551	K	94.9	Very high	88.7	Confident	53 Å²	53	49.5 Å²	49.5	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-47.2	173.8	-75	165.3	-175.3	172.1	0	111.6	E495 L499 T547 E548 A553 I554 S555	E495-K551 WeakPolarHBondContact OE1-CE 3.42Å; E495-K551 IonicContact OE1-NZ 3.65Å; E495-K551 PolarHBondContact OE1-NZ 3.17Å; E495-K551 WeakPolarHBondContact OE2-CE 3.46Å; E495-K551 IonicContact OE2-NZ 2.99Å; E495-K551 PolarHBondContact OE2-NZ 3.06Å; L499-K551 HydrophobicContact CD1-CG 3.68Å; T547-K551 WeakPolarHBondContact O-CG 3.46Å; T547-K551 PolarHBondContact O-N 3.13Å; E548-K551 PolarHBondContact O-N 3.1Å; E548-K551 WeakPolarHBondContact OE1-CD 3.44Å; E548-K551 WeakPolarHBondContact OE1-CE 3.39Å; E548-K551 IonicContact OE1-NZ 2.73Å; E548-K551 PolarHBondContact OE1-NZ 3.38Å; E548-K551 WeakPolarHBondContact OE2-CD 3.34Å; K551-A553 PolarHBondContact O-N 2.89Å; K551-I554 PolarHBondContact O-N 2.88Å; K551-S555 PolarHBondContact O-N 2.85Å
552	A	94.2	Very high	89.6	Confident	31 Å²	31	48.9 Å²	48.9	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-19	176.8	0	0	0	0	0	113	R518 E548 V550 S555 S556	R518-A552 PolarHBondContact NH1-O 3.06Å; R518-A552 VanDerWaalsContact NH2-C 3.34Å; R518-A552 PolarHBondContact NH2-O 3.31Å; E548-A552 VanDerWaalsContact O-CB 3.3Å; E548-A552 WeakPolarHBondContact O-CB 3.35Å; E548-A552 PolarHBondContact O-N 3.22Å; V550-A552 VanDerWaalsContact C-N 3.31Å; V550-A552 PolarHBondContact O-N 3.32Å; A552-S555 PolarHBondContact O-OG 3.15Å; A552-S556 PolarHBondContact O-OG 3.48Å
553	A	94.6	Very high	90.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-84	-32	173	0	0	0	0	0	111.8	V511 E514 A515 D549 V550 K551 S556 T557	V511-A553 HydrophobicContact CG1-CB 4.15Å; E514-A553 HydrophobicContact CB-CB 4.12Å; E514-A553 HydrophobicContact CG-CB 4.14Å; A515-A553 HydrophobicContact CB-CB 4.12Å; D549-A553 VanDerWaalsContact O-CB 3.3Å; D549-A553 WeakPolarHBondContact O-CB 3.4Å; D549-A553 PolarHBondContact O-N 3.26Å; V550-A553 CarbonylContact O-C 3.55Å; V550-A553 WeakPolarHBondContact O-CA 3.43Å; V550-A553 WeakPolarHBondContact O-CB 3.34Å; V550-A553 PolarHBondContact O-N 3.48Å; K551-A553 PolarHBondContact O-N 2.89Å; A553-S556 PolarHBondContact O-N 2.93Å; A553-S556 PolarHBondContact O-OG 3.47Å; A553-S556 VanDerWaalsContact O-OG 3.09Å; A553-T557 WeakPolarHBondContact O-CB 3.44Å; A553-T557 PolarHBondContact O-N 3.46Å; A553-T557 VanDerWaalsContact O-N 3.09Å; A553-T557 PolarHBondContact O-OG1 3.43Å
554	I	94.1	Very high	90.4	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-43.5	169.9	-66.1	168.6	0	0	0	109.6	L499 T500 V511 V550 K551 S556 T557	L499-I554 HydrophobicContact CB-CD1 3.66Å; L499-I554 HydrophobicContact CD1-CD1 4.39Å; T500-I554 HydrophobicContact CG2-CD1 3.71Å; T500-I554 HydrophobicContact CG2-CG1 3.93Å; V511-I554 HydrophobicContact CG1-CG1 3.68Å; V511-I554 HydrophobicContact CG2-CG1 4.18Å; V550-I554 HydrophobicContact CG1-CD1 4.11Å; V550-I554 HydrophobicContact CG1-CG1 4.49Å; V550-I554 WeakPolarHBondContact O-CG1 3.34Å; V550-I554 PolarHBondContact O-N 2.9Å; K551-I554 PolarHBondContact O-N 2.88Å; I554-S556 PolarHBondContact O-N 2.89Å; I554-T557 PolarHBondContact O-N 2.95Å; I554-T557 VanDerWaalsContact O-N 3.11Å; I554-T557 VanDerWaalsContact O-O 3.09Å
555	S	92.5	Very high	90.3	Very high	87 Å²	87	54.1 Å²	54.1	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-63.5	-26.8	178.7	70.9	0	0	0	0	114.1	K551 A552 M558	K551-S555 PolarHBondContact O-N 2.85Å; A552-S555 PolarHBondContact O-OG 3.15Å; S555-M558 WeakPolarHBondContact O-CE 3.29Å
556	S	90.8	Very high	90.2	Very high	67 Å²	67	56 Å²	56	47%	0.469	31%	0.314	S	S	.	.	H	α-helix	trans	-93	-9.6	174.6	59.6	0	0	0	0	114.6	A552 A553 I554	A552-S556 PolarHBondContact O-OG 3.48Å; A553-S556 PolarHBondContact O-N 2.93Å; A553-S556 PolarHBondContact O-OG 3.47Å; A553-S556 VanDerWaalsContact O-OG 3.09Å; I554-S556 PolarHBondContact O-N 2.89Å
557	T	90.7	Very high	90.1	Very high	12 Å²	12	57.9 Å²	57.9	7%	0.074	32%	0.318	C	S	.	.			trans	-120.8	101.4	-172.9	-49.5	0	0	0	0	110.3	Y503 L510 V511 A553 I554	Y503-T557 WeakPolarHBondContact CE1-O 3.48Å; Y503-T557 PolarHBondContact OH-O 3.12Å; L510-T557 HydrophobicContact CB-CG2 4.28Å; L510-T557 HydrophobicContact CD2-CG2 3.78Å; L510-T557 HydrophobicContact CG-CG2 3.88Å; V511-T557 HydrophobicContact CG2-CG2 3.87Å; A553-T557 WeakPolarHBondContact O-CB 3.44Å; A553-T557 PolarHBondContact O-N 3.46Å; A553-T557 VanDerWaalsContact O-N 3.09Å; A553-T557 PolarHBondContact O-OG1 3.43Å; I554-T557 PolarHBondContact O-N 2.95Å; I554-T557 VanDerWaalsContact O-N 3.11Å; I554-T557 VanDerWaalsContact O-O 3.09Å
558	M	89.7	Confident	90.1	Very high	129 Å²	129	56.9 Å²	56.9	64%	0.635	31%	0.312	S	S	*	.			trans	-76.6	144	179	-63.2	-62.6	99.7	0	0	111.9	S555 S560	S555-M558 WeakPolarHBondContact O-CE 3.29Å; M558-S560 PolarHBondContact O-N 3.48Å
559	P	90.6	Very high	89.9	Confident	29 Å²	29	55.5 Å²	55.5	19%	0.188	31%	0.308	C	S	.	.			trans	-73	118.9	179.7	28.2	-32.6	0	0	0	111.3	Y503 A561 R562	Y503-P559 HydrophobicContact CD1-CB 4.31Å; Y503-P559 HydrophobicContact CD2-CB 3.75Å; Y503-P559 HydrophobicContact CD2-CG 4.29Å; Y503-P559 HydrophobicContact CE1-CB 4.36Å; Y503-P559 HydrophobicContact CE2-CB 3.83Å; Y503-P559 HydrophobicContact CE2-CG 3.93Å; Y503-P559 HydrophobicContact CG-CB 3.97Å; P559-A561 VanDerWaalsContact C-N 3.26Å; P559-A561 PolarHBondContact O-N 3.22Å; P559-R562 HydrophobicContact CB-CB 4.07Å; P559-R562 HydrophobicContact CG-CB 3.86Å
560	S	87.4	Confident	89.9	Confident	72 Å²	72	59.5 Å²	59.5	50%	0.503	33%	0.326	S	S	.	.	S	Bend	trans	-67.2	-24.2	-174.5	59.6	0	0	0	0	114.2	D507 M558	D507-S560 VanDerWaalsContact CG-OG 3.26Å; D507-S560 VanDerWaalsContact OD1-CB 3.28Å; D507-S560 WeakPolarHBondContact OD1-CB 3.5Å; D507-S560 PolarHBondContact OD1-N 3.05Å; D507-S560 PolarHBondContact OD1-OG 3.41Å; D507-S560 PolarHBondContact OD2-N 2.65Å; D507-S560 PolarHBondContact OD2-OG 2.84Å; D507-S560 VanDerWaalsContact OD2-OG 3.08Å; M558-S560 PolarHBondContact O-N 3.48Å
561	A	82.5	Confident	89.8	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-103	-19.8	-170.5	0	0	0	0	0	115.6	P318 L459 P559 Q563 L564	P318-A561 HydrophobicContact CB-CB 3.57Å; P318-A561 HydrophobicContact CG-CB 4.13Å; L459-A561 HydrophobicContact CD1-CB 4.49Å; L459-A561 HydrophobicContact CD2-CB 3.69Å; P559-A561 VanDerWaalsContact C-N 3.26Å; P559-A561 PolarHBondContact O-N 3.22Å; A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 2.91Å; A561-Q563 VanDerWaalsContact O-N 3.1Å; A561-L564 PolarHBondContact O-N 2.83Å
562	R	80.9	Confident	89.6	Confident	137 Å²	137	60 Å²	60	52%	0.517	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.8	-162.5	-172.2	172.8	-178.5	159.8	3.1	114.2	E501 P559 L564	E501-R562 PolarHBondContact O-NH1 3.19Å; P559-R562 HydrophobicContact CB-CB 4.07Å; P559-R562 HydrophobicContact CG-CB 3.86Å; R562-L564 VanDerWaalsContact C-N 3.34Å; R562-L564 PolarHBondContact O-N 3.21Å
563	Q	83.3	Confident	89.4	Confident	197 Å²	197	65.8 Å²	65.8	92%	0.921	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-22.2	179.6	-63.4	-179.2	-0.1	0	0	113.8	A561	A561-Q563 VanDerWaalsContact C-N 3.27Å; A561-Q563 PolarHBondContact O-N 2.91Å; A561-Q563 VanDerWaalsContact O-N 3.1Å
564	L	85.8	Confident	89.1	Confident	59 Å²	59	72.2 Å²	72.2	31%	0.309	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.3	-177	-65.5	175.6	0	0	0	113.5	W441 A561 R562 G566 K567 Y568	W441-L564 HydrophobicContact CH2-CD2 4.31Å; A561-L564 PolarHBondContact O-N 2.83Å; R562-L564 VanDerWaalsContact C-N 3.34Å; R562-L564 PolarHBondContact O-N 3.21Å; L564-G566 VanDerWaalsContact C-N 3.35Å; L564-G566 PolarHBondContact O-N 3.34Å; L564-K567 WeakPolarHBondContact O-CB 3.23Å; L564-K567 PolarHBondContact O-N 3.11Å; L564-Y568 HydrophobicContact CB-CD2 4.06Å; L564-Y568 HydrophobicContact CB-CE2 3.55Å; L564-Y568 HydrophobicContact CD1-CE2 4.43Å; L564-Y568 WeakPolarHBondContact O-CD2 3.38Å; L564-Y568 PolarHBondContact O-N 3.15Å; L564-Y568 VanDerWaalsContact O-N 3.07Å
565	A	85.8	Confident	88.6	Confident	32 Å²	32	74.3 Å²	74.3	26%	0.264	39%	0.389	S	S	.	.	H	α-helix	trans	-53.1	-47.4	-175.9	0	0	0	0	0	113	L459 K567 Y568 L569	L459-A565 HydrophobicContact CD1-CB 4.39Å; A565-K567 VanDerWaalsContact C-N 3.34Å; A565-K567 PolarHBondContact O-N 3.3Å; A565-Y568 PolarHBondContact O-N 3Å; A565-L569 PolarHBondContact O-N 2.77Å; A565-L569 VanDerWaalsContact O-N 3.12Å
566	G	88.8	Confident	87.6	Confident	40 Å²	40	71.7 Å²	71.7	41%	0.412	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-42.5	175.8	0	0	0	0	0	113	L564 Y568 L569 E570	L564-G566 VanDerWaalsContact C-N 3.35Å; L564-G566 PolarHBondContact O-N 3.34Å; G566-Y568 VanDerWaalsContact C-N 3.34Å; G566-Y568 PolarHBondContact O-N 2.9Å; G566-L569 PolarHBondContact O-N 2.86Å; G566-L569 VanDerWaalsContact O-N 3.14Å; G566-E570 WeakPolarHBondContact O-CG 3.45Å; G566-E570 PolarHBondContact O-N 3.1Å
567	K	92.2	Very high	86.4	Confident	88 Å²	88	70.7 Å²	70.7	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-33.5	179	-164.2	-178.8	-178.2	-170.6	0	112.7	W441 L564 A565 W571	W441-K567 HydrophobicContact CD2-CD 3.92Å; W441-K567 HydrophobicContact CD2-CG 4.41Å; W441-K567 HydrophobicContact CE3-CD 3.77Å; W441-K567 HydrophobicContact CE3-CG 3.82Å; W441-K567 HydrophobicContact CH2-CD 3.86Å; W441-K567 HydrophobicContact CH2-CG 4.34Å; W441-K567 HydrophobicContact CZ2-CD 3.99Å; W441-K567 HydrophobicContact CZ3-CB 4.18Å; W441-K567 HydrophobicContact CZ3-CD 3.74Å; W441-K567 HydrophobicContact CZ3-CG 3.78Å; W441-K567 VanDerWaalsContact NE1-NZ 3.18Å; L564-K567 WeakPolarHBondContact O-CB 3.23Å; L564-K567 PolarHBondContact O-N 3.11Å; A565-K567 VanDerWaalsContact C-N 3.34Å; A565-K567 PolarHBondContact O-N 3.3Å; K567-W571 WeakPolarHBondContact O-CB 3.38Å; K567-W571 PolarHBondContact O-N 3.46Å
568	Y	92.4	Very high	84.9	Confident	1 Å²	1	73.6 Å²	73.6	0%	0.004	39%	0.389	C	S	.	.	H	α-helix	trans	-69.2	-38.1	172.2	-68.4	-66.1	0	0	0	112.2	Y316 G317 P318 N438 P440 W441 L564 A565 G566 W571 Q572	Y316-Y568 HydrophobicContact CD2-CD1 4.43Å; G317-Y568 VanDerWaalsContact C-CE1 3.47Å; G317-Y568 VanDerWaalsContact C-CZ 3.44Å; G317-Y568 PolarHBondContact O-OH 3.3Å; P318-Y568 HydrophobicContact CB-CE2 3.97Å; P318-Y568 HydrophobicContact CG-CD2 3.78Å; P318-Y568 HydrophobicContact CG-CE2 3.57Å; N438-Y568 WeakPolarHBondContact O-CE1 3.31Å; N438-Y568 PolarHBondContact O-OH 3.18Å; P440-Y568 HydrophobicContact CG-CD1 4.14Å; P440-Y568 HydrophobicContact CG-CE1 4.12Å; W441-Y568 HydrophobicContact CH2-CD1 4.19Å; W441-Y568 AromaticContact CH2-CE1 3.61Å; W441-Y568 HydrophobicContact CH2-CE1 3.61Å; W441-Y568 HydrophobicContact CH2-CE2 4.26Å; W441-Y568 AromaticContact CH2-CZ 3.63Å; W441-Y568 AromaticContact CZ3-CD1 3.63Å; W441-Y568 HydrophobicContact CZ3-CD1 3.63Å; W441-Y568 AromaticContact CZ3-CE1 3.47Å; W441-Y568 HydrophobicContact CZ3-CE1 3.47Å; W441-Y568 VanDerWaalsContact CZ3-CE1 3.47Å; W441-Y568 HydrophobicContact CZ3-CG 4.23Å; W441-Y568 AromaticContact CZ3-CZ 3.95Å; L564-Y568 HydrophobicContact CB-CD2 4.06Å; L564-Y568 HydrophobicContact CB-CE2 3.55Å; L564-Y568 HydrophobicContact CD1-CE2 4.43Å; L564-Y568 WeakPolarHBondContact O-CD2 3.38Å; L564-Y568 PolarHBondContact O-N 3.15Å; L564-Y568 VanDerWaalsContact O-N 3.07Å; A565-Y568 PolarHBondContact O-N 3Å; G566-Y568 VanDerWaalsContact C-N 3.34Å; G566-Y568 PolarHBondContact O-N 2.9Å; Y568-W571 PolarHBondContact O-N 2.94Å; Y568-Q572 PolarHBondContact O-N 3.06Å
569	L	90.5	Very high	84.6	Confident	89 Å²	89	70.9 Å²	70.9	47%	0.466	38%	0.377	S	S	.	.	H	α-helix	trans	-69.8	-42.6	177.1	-176.1	62.9	0	0	0	112.1	A565 G566 W571 Q572 Q573	A565-L569 PolarHBondContact O-N 2.77Å; A565-L569 VanDerWaalsContact O-N 3.12Å; G566-L569 PolarHBondContact O-N 2.86Å; G566-L569 VanDerWaalsContact O-N 3.14Å; L569-W571 VanDerWaalsContact C-N 3.33Å; L569-W571 PolarHBondContact O-N 3.28Å; L569-Q572 WeakPolarHBondContact O-CB 3.26Å; L569-Q572 PolarHBondContact O-N 3.43Å; L569-Q573 WeakPolarHBondContact O-CG 3.25Å; L569-Q573 PolarHBondContact O-N 3.17Å
570	E	92.3	Very high	84.3	Confident	107 Å²	107	73.1 Å²	73.1	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-57.7	-44.9	170.8	-73.3	168	-167.7	0	0	111.3	G566 Q572 Q573 Q574	G566-E570 WeakPolarHBondContact O-CG 3.45Å; G566-E570 PolarHBondContact O-N 3.1Å; E570-Q572 VanDerWaalsContact C-N 3.34Å; E570-Q572 PolarHBondContact O-N 2.88Å; E570-Q573 PolarHBondContact O-N 3.38Å; E570-Q574 WeakPolarHBondContact O-CG 3.41Å; E570-Q574 PolarHBondContact O-N 3.26Å
571	W	92	Very high	84.2	Confident	11 Å²	11	73.1 Å²	73.1	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-36.5	176	-164.1	92.1	0	0	0	112	L314 Y316 P440 L448 K567 Y568 L569 Q573 Q574 F575	L314-W571 HydrophobicContact CD2-CH2 4.01Å; Y316-W571 HydrophobicContact CD1-CE3 4.43Å; Y316-W571 AromaticContact CD1-CZ3 3.78Å; Y316-W571 HydrophobicContact CD1-CZ3 3.78Å; Y316-W571 AromaticContact CD2-CE3 3.85Å; Y316-W571 HydrophobicContact CD2-CE3 3.85Å; Y316-W571 HydrophobicContact CD2-CZ3 4.01Å; Y316-W571 HydrophobicContact CE1-CE3 4.13Å; Y316-W571 AromaticContact CE1-CZ3 3.58Å; Y316-W571 HydrophobicContact CE1-CZ3 3.58Å; Y316-W571 AromaticContact CE2-CE3 3.48Å; Y316-W571 HydrophobicContact CE2-CE3 3.48Å; Y316-W571 VanDerWaalsContact CE2-CE3 3.48Å; Y316-W571 AromaticContact CE2-CZ3 3.81Å; Y316-W571 HydrophobicContact CE2-CZ3 3.81Å; Y316-W571 HydrophobicContact CG-CE3 4.3Å; Y316-W571 AromaticContact CG-CZ3 3.98Å; Y316-W571 HydrophobicContact CG-CZ3 3.98Å; Y316-W571 AromaticContact CZ-CE3 3.64Å; Y316-W571 AromaticContact CZ-CZ3 3.59Å; P440-W571 HydrophobicContact CB-CD2 3.97Å; P440-W571 HydrophobicContact CB-CE3 4.18Å; P440-W571 HydrophobicContact CB-CH2 4.01Å; P440-W571 HydrophobicContact CB-CZ2 3.79Å; P440-W571 HydrophobicContact CB-CZ3 4.21Å; P440-W571 HydrophobicContact CG-CD2 4.09Å; P440-W571 HydrophobicContact CG-CE3 4.36Å; P440-W571 HydrophobicContact CG-CG 4.34Å; P440-W571 PolarHBondContact O-NE1 3.47Å; L448-W571 HydrophobicContact CD1-CZ2 4.16Å; L448-W571 HydrophobicContact CD2-CH2 3.96Å; L448-W571 HydrophobicContact CD2-CZ2 3.79Å; K567-W571 WeakPolarHBondContact O-CB 3.38Å; K567-W571 PolarHBondContact O-N 3.46Å; Y568-W571 PolarHBondContact O-N 2.94Å; L569-W571 VanDerWaalsContact C-N 3.33Å; L569-W571 PolarHBondContact O-N 3.28Å; W571-Q573 VanDerWaalsContact C-N 3.35Å; W571-Q574 PolarHBondContact O-N 3.01Å; W571-F575 AromaticContact CD1-CD2 3.59Å; W571-F575 HydrophobicContact CD2-CB 3.9Å; W571-F575 HydrophobicContact CD2-CD2 4.04Å; W571-F575 HydrophobicContact CD2-CG 4.36Å; W571-F575 AromaticContact CE2-CD2 3.69Å; W571-F575 AromaticContact CE2-CG 3.91Å; W571-F575 HydrophobicContact CE3-CB 3.98Å; W571-F575 AromaticContact CG-CD2 4Å; W571-F575 HydrophobicContact CG-CD2 4Å; W571-F575 HydrophobicContact CH2-CB 3.84Å; W571-F575 HydrophobicContact CZ2-CB 3.72Å; W571-F575 HydrophobicContact CZ2-CD2 4.31Å; W571-F575 HydrophobicContact CZ2-CG 4.08Å; W571-F575 HydrophobicContact CZ3-CB 3.95Å; W571-F575 AromaticContact NE1-CD2 3.4Å; W571-F575 AromaticContact NE1-CE2 3.92Å; W571-F575 WeakPolarHBondContact O-CA 3.36Å; W571-F575 WeakPolarHBondContact O-CB 3.44Å; W571-F575 PolarHBondContact O-N 2.65Å
572	Q	90.9	Very high	84.3	Confident	55 Å²	55	77.4 Å²	77.4	26%	0.257	40%	0.403	S	S	.	.	H	α-helix	trans	-63.4	-39.1	172.6	-175.2	172.7	24.7	0	0	112	Y316 L456 Y568 L569 E570 Q574 G576 S578	Y316-Q572 VanDerWaalsContact OH-CB 3.29Å; Y316-Q572 WeakPolarHBondContact OH-CB 3.5Å; Y316-Q572 VanDerWaalsContact OH-CG 3.31Å; Y316-Q572 WeakPolarHBondContact OH-CG 3.39Å; L456-Q572 VanDerWaalsContact CD2-OE1 3.31Å; Y568-Q572 PolarHBondContact O-N 3.06Å; L569-Q572 WeakPolarHBondContact O-CB 3.26Å; L569-Q572 PolarHBondContact O-N 3.43Å; E570-Q572 VanDerWaalsContact C-N 3.34Å; E570-Q572 PolarHBondContact O-N 2.88Å; Q572-Q574 VanDerWaalsContact C-N 3.34Å; Q572-G576 WeakPolarHBondContact O-CA 3.42Å; Q572-G576 PolarHBondContact O-N 3.01Å; Q572-S578 PolarHBondContact NE2-OG 2.92Å
573	Q	90.6	Very high	84.5	Confident	152 Å²	152	73.7 Å²	73.7	71%	0.71	40%	0.396	S	S	*	.	H	α-helix	trans	-67.6	-33.3	176.4	-69	172.5	20.1	0	0	112.6	L569 E570 W571	L569-Q573 WeakPolarHBondContact O-CG 3.25Å; L569-Q573 PolarHBondContact O-N 3.17Å; E570-Q573 PolarHBondContact O-N 3.38Å; W571-Q573 VanDerWaalsContact C-N 3.35Å
574	Q	87.7	Confident	84.5	Confident	134 Å²	134	65.5 Å²	65.5	63%	0.626	36%	0.361	S	S	*	.	H	α-helix	trans	-85.7	-33.3	-179.8	-67.2	171.3	23.5	0	0	113.9	E570 W571 Q572	E570-Q574 WeakPolarHBondContact O-CG 3.41Å; E570-Q574 PolarHBondContact O-N 3.26Å; W571-Q574 PolarHBondContact O-N 3.01Å; Q572-Q574 VanDerWaalsContact C-N 3.34Å
575	F	82.9	Confident	84.5	Confident	62 Å²	62	65.9 Å²	65.9	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-135.6	3.3	-166.4	-64.4	-74.5	0	0	0	114.6	R454 W571	R454-F575 WeakPolarHBondContact CD-O 3.35Å; R454-F575 PolarHBondContact NH1-O 3.17Å; W571-F575 AromaticContact CD1-CD2 3.59Å; W571-F575 HydrophobicContact CD2-CB 3.9Å; W571-F575 HydrophobicContact CD2-CD2 4.04Å; W571-F575 HydrophobicContact CD2-CG 4.36Å; W571-F575 AromaticContact CE2-CD2 3.69Å; W571-F575 AromaticContact CE2-CG 3.91Å; W571-F575 HydrophobicContact CE3-CB 3.98Å; W571-F575 AromaticContact CG-CD2 4Å; W571-F575 HydrophobicContact CG-CD2 4Å; W571-F575 HydrophobicContact CH2-CB 3.84Å; W571-F575 HydrophobicContact CZ2-CB 3.72Å; W571-F575 HydrophobicContact CZ2-CD2 4.31Å; W571-F575 HydrophobicContact CZ2-CG 4.08Å; W571-F575 HydrophobicContact CZ3-CB 3.95Å; W571-F575 AromaticContact NE1-CD2 3.4Å; W571-F575 AromaticContact NE1-CE2 3.92Å; W571-F575 WeakPolarHBondContact O-CA 3.36Å; W571-F575 WeakPolarHBondContact O-CB 3.44Å; W571-F575 PolarHBondContact O-N 2.65Å
576	G	71.4	Confident	84.3	Confident	32 Å²	32	68.5 Å²	68.5	33%	0.33	37%	0.372	S	S	.	.			trans	-75.3	127	-178.1	0	0	0	0	0	113.6	Q572	Q572-G576 WeakPolarHBondContact O-CA 3.42Å; Q572-G576 PolarHBondContact O-N 3.01Å
577	S	67.2	Low	84	Confident	46 Å²	46	70.9 Å²	70.9	32%	0.322	37%	0.369	S	S	.	.			trans	-102.6	42.6	169.6	-44.5	0	0	0	0	110.5	E452 K453	E452-S577 WeakPolarHBondContact O-CB 3.18Å; E452-S577 PolarHBondContact O-OG 3.44Å; K453-S577 WeakPolarHBondContact CD-O 3.18Å; K453-S577 VanDerWaalsContact CE-O 3.29Å; K453-S577 WeakPolarHBondContact CE-O 3.48Å; K453-S577 PolarHBondContact NZ-O 3.36Å
578	S	57.8	Low	83.2	Confident	74 Å²	74	69.4 Å²	69.4	52%	0.517	37%	0.368	S	S	.	.			trans	-73.8	0	-169.9	-61.9	0	0	0	0	112.7	L288 K453 Q572	L288-S578 VanDerWaalsContact CD2-OXT 3.25Å; L288-S578 WeakPolarHBondContact CD2-OXT 3.25Å; K453-S578 PolarHBondContact NZ-OXT 2.83Å; Q572-S578 PolarHBondContact NE2-OG 2.92Å

Retrieved 578 of 578 residues in 1126.5 ms (Link to these results)

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