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Pre-mRNA splicing factor CG9213

RNA-binding protein which regulates alternative splicing.

AlphaFold DB , UniProt , Accession Q9VXT5, Species DROME (Drosophila melanogaster, Fruit fly), Gene n/a, Length 687 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	69.9	Low	243 Å²	243	150.1 Å²	150.1	100%	1.197	73%	0.732	S	S	*	*				0	116.6	0	-65.1	168.4	-179.5	0	0	107.5
2	S	51.2	Low	71.2	Confident	113 Å²	113	145.5 Å²	145.5	79%	0.79	71%	0.706	S	S	*	*			trans	-89.1	123.5	175.9	39.7	0	0	0	0	110	I4	S2-I4 PolarHBondContact O-N 2.91Å
3	Y	54.3	Low	72.7	Confident	225 Å²	225	140.5 Å²	140.5	88%	0.882	69%	0.685	S	S	*	*			trans	-71.4	116.5	172.9	-110.5	-99.7	0	0	0	109.5	Q5	Y3-Q5 PolarHBondContact O-N 2.68Å
4	I	61.4	Low	74.1	Confident	153 Å²	153	139.4 Å²	139.4	79%	0.785	67%	0.674	S	S	*	*			trans	-79	105.7	165.8	-61	173.6	0	0	0	106.4	S2 F6	S2-I4 PolarHBondContact O-N 2.91Å; I4-F6 PolarHBondContact O-N 2.95Å
5	Q	65.9	Low	75.2	Confident	180 Å²	180	133.7 Å²	133.7	84%	0.841	66%	0.659	S	S	*	*			trans	-69.5	111.3	173.3	-78.1	179.9	-59.7	0	0	109.7	Y3 E7	Y3-Q5 PolarHBondContact O-N 2.68Å; Q5-E7 PolarHBondContact O-N 2.9Å
6	F	70.6	Confident	76.3	Confident	191 Å²	191	134.7 Å²	134.7	84%	0.838	65%	0.653	S	S	*	*			trans	-84.6	95.7	174.4	-172.8	-91.5	0	0	0	109.5	I4	I4-F6 PolarHBondContact O-N 2.95Å
7	E	77.6	Confident	77.3	Confident	117 Å²	117	133.5 Å²	133.5	55%	0.547	65%	0.646	S	S	.	*			trans	-66.3	129.6	169.2	-67.5	177.2	152.5	0	0	110.4	Q5 K12	Q5-E7 PolarHBondContact O-N 2.9Å; E7-K12 WeakPolarHBondContact OE2-CE 3.12Å; E7-K12 IonicContact OE2-NZ 3.63Å; E7-K12 PolarHBondContact OE2-NZ 3.2Å
8	S	84.3	Confident	78.2	Confident	41 Å²	41	131.2 Å²	131.2	29%	0.287	63%	0.634	S	S	.	*			trans	-69.2	152	178.4	73.9	0	0	0	0	111.7	R10 E11 K12	S8-R10 PolarHBondContact O-N 2.61Å; S8-E11 VanDerWaalsContact CB-OE2 3.25Å; S8-E11 WeakPolarHBondContact CB-OE2 3.41Å; S8-E11 PolarHBondContact N-OE2 2.91Å; S8-E11 PolarHBondContact O-N 2.82Å; S8-E11 VanDerWaalsContact OG-CD 3.28Å; S8-E11 WeakPolarHBondContact OG-CG 3.45Å; S8-E11 PolarHBondContact OG-N 3.38Å; S8-E11 PolarHBondContact OG-OE2 3Å; S8-K12 PolarHBondContact O-N 2.92Å
9	G	87.2	Confident	78.9	Confident	49 Å²	49	131.2 Å²	131.2	51%	0.505	64%	0.637	S	S	.	*	H	α-helix	trans	-57.9	-31.7	175.4	0	0	0	0	0	113.1	K12 D13	G9-K12 PolarHBondContact O-N 3.26Å; G9-D13 PolarHBondContact O-N 3.31Å
10	R	87	Confident	79.6	Confident	222 Å²	222	133.2 Å²	133.2	84%	0.838	64%	0.637	S	S	*	*	H	α-helix	trans	-65.8	-39.7	178.3	-66.9	-176.7	178.1	-177.9	-0.5	112.6	S8 D13 K14	S8-R10 PolarHBondContact O-N 2.61Å; R10-D13 PolarHBondContact O-N 3.35Å; R10-K14 WeakPolarHBondContact O-CB 3.46Å; R10-K14 PolarHBondContact O-N 3.2Å
11	E	86.3	Confident	80.4	Confident	117 Å²	117	133 Å²	133	55%	0.547	64%	0.636	S	S	.	*	H	α-helix	trans	-66.7	-39.7	177.1	-71.5	157.1	134.1	0	0	111.3	S8 K14 A15	S8-E11 VanDerWaalsContact CB-OE2 3.25Å; S8-E11 WeakPolarHBondContact CB-OE2 3.41Å; S8-E11 PolarHBondContact N-OE2 2.91Å; S8-E11 PolarHBondContact O-N 2.82Å; S8-E11 VanDerWaalsContact OG-CD 3.28Å; S8-E11 WeakPolarHBondContact OG-CG 3.45Å; S8-E11 PolarHBondContact OG-N 3.38Å; S8-E11 PolarHBondContact OG-OE2 3Å; E11-K14 PolarHBondContact O-N 3.42Å; E11-A15 WeakPolarHBondContact O-CB 3.45Å; E11-A15 PolarHBondContact O-N 3.3Å
12	K	86.2	Confident	82.8	Confident	95 Å²	95	124 Å²	124	41%	0.413	60%	0.601	S	S	.	*	H	α-helix	trans	-64	-40.8	175.2	-74.3	172.2	177.9	155.9	0	112.5	E7 S8 G9 R16	E7-K12 WeakPolarHBondContact OE2-CE 3.12Å; E7-K12 IonicContact OE2-NZ 3.63Å; E7-K12 PolarHBondContact OE2-NZ 3.2Å; S8-K12 PolarHBondContact O-N 2.92Å; G9-K12 PolarHBondContact O-N 3.26Å; K12-R16 WeakPolarHBondContact O-CB 3.25Å; K12-R16 WeakPolarHBondContact O-CD 3.4Å; K12-R16 WeakPolarHBondContact O-CG 3.39Å; K12-R16 PolarHBondContact O-N 2.96Å
13	D	90.6	Very high	84.8	Confident	81 Å²	81	127.6 Å²	127.6	43%	0.433	60%	0.597	S	S	.	*	H	α-helix	trans	-74.2	-32.8	177.3	-73	-28	0	0	0	112.7	G9 R10 R16 Q17	G9-D13 PolarHBondContact O-N 3.31Å; R10-D13 PolarHBondContact O-N 3.35Å; D13-R16 WeakPolarHBondContact O-CB 3.44Å; D13-R16 PolarHBondContact O-N 3.37Å; D13-R16 WeakPolarHBondContact OD1-CD 3.4Å; D13-R16 IonicContact OD1-CZ 3.35Å; D13-R16 IonicContact OD1-NE 2.77Å; D13-R16 IonicContact OD1-NH1 3.72Å; D13-R16 PolarHBondContact OD1-NH1 2.89Å; D13-Q17 WeakPolarHBondContact O-CG 3.49Å; D13-Q17 PolarHBondContact O-N 3.19Å
14	K	92.6	Very high	86.7	Confident	124 Å²	124	122.7 Å²	122.7	54%	0.539	58%	0.582	S	S	.	*	H	α-helix	trans	-61.4	-50.2	169.3	-167.5	-170.5	-177.8	-122.9	0	111.6	R10 E11 R16 Q17 E18	R10-K14 WeakPolarHBondContact O-CB 3.46Å; R10-K14 PolarHBondContact O-N 3.2Å; E11-K14 PolarHBondContact O-N 3.42Å; K14-R16 PolarHBondContact O-N 3.05Å; K14-Q17 WeakPolarHBondContact O-CB 3.37Å; K14-Q17 PolarHBondContact O-N 3.38Å; K14-E18 WeakPolarHBondContact CE-OE1 3.46Å; K14-E18 IonicContact NZ-OE1 2.68Å; K14-E18 PolarHBondContact NZ-OE1 3.11Å; K14-E18 WeakPolarHBondContact O-CG 3.41Å; K14-E18 PolarHBondContact O-N 3.16Å
15	A	90.9	Very high	88.4	Confident	54 Å²	54	117.9 Å²	117.9	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-60.7	-32.6	176.8	0	0	0	0	0	112.5	E11 L19	E11-A15 WeakPolarHBondContact O-CB 3.45Å; E11-A15 PolarHBondContact O-N 3.3Å; A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-N 3.08Å
16	R	91.9	Very high	89.6	Confident	150 Å²	150	115.9 Å²	115.9	57%	0.566	56%	0.558	S	S	*	*	H	α-helix	trans	-69.9	-34	172.4	-74.4	162.3	171.4	-180	-3.2	113.1	K12 D13 K14 R20	K12-R16 WeakPolarHBondContact O-CB 3.25Å; K12-R16 WeakPolarHBondContact O-CD 3.4Å; K12-R16 WeakPolarHBondContact O-CG 3.39Å; K12-R16 PolarHBondContact O-N 2.96Å; D13-R16 WeakPolarHBondContact O-CB 3.44Å; D13-R16 PolarHBondContact O-N 3.37Å; D13-R16 WeakPolarHBondContact OD1-CD 3.4Å; D13-R16 IonicContact OD1-CZ 3.35Å; D13-R16 IonicContact OD1-NE 2.77Å; D13-R16 IonicContact OD1-NH1 3.72Å; D13-R16 PolarHBondContact OD1-NH1 2.89Å; K14-R16 PolarHBondContact O-N 3.05Å; R16-R20 WeakPolarHBondContact O-CG 3.49Å; R16-R20 PolarHBondContact O-N 2.93Å
17	Q	93.1	Very high	90.7	Very high	114 Å²	114	111.5 Å²	111.5	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-70.1	-50.2	173.9	-75.5	174.5	-24.8	0	0	110.7	D13 K14 L19 R20 E21	D13-Q17 WeakPolarHBondContact O-CG 3.49Å; D13-Q17 PolarHBondContact O-N 3.19Å; K14-Q17 WeakPolarHBondContact O-CB 3.37Å; K14-Q17 PolarHBondContact O-N 3.38Å; Q17-L19 PolarHBondContact O-N 3.3Å; Q17-R20 WeakPolarHBondContact O-CA 3.42Å; Q17-R20 WeakPolarHBondContact O-CB 3.4Å; Q17-R20 PolarHBondContact O-N 3.36Å; Q17-E21 PolarHBondContact O-N 2.83Å
18	E	94.1	Very high	91.4	Very high	92 Å²	92	111.5 Å²	111.5	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-53.9	-40.1	175.7	-68.9	171.6	-179.9	0	0	111.6	K14 A22	K14-E18 WeakPolarHBondContact CE-OE1 3.46Å; K14-E18 IonicContact NZ-OE1 2.68Å; K14-E18 PolarHBondContact NZ-OE1 3.11Å; K14-E18 WeakPolarHBondContact O-CG 3.41Å; K14-E18 PolarHBondContact O-N 3.16Å; E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.35Å
19	L	91.9	Very high	91.9	Very high	132 Å²	132	113.6 Å²	113.6	69%	0.691	55%	0.548	S	S	*	.	H	α-helix	trans	-69.5	-29	175.8	-169	68.5	0	0	0	114	A15 Q17 R23	A15-L19 WeakPolarHBondContact O-CB 3.49Å; A15-L19 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-N 3.08Å; Q17-L19 PolarHBondContact O-N 3.3Å; L19-R23 WeakPolarHBondContact O-CB 3.37Å; L19-R23 PolarHBondContact O-N 3.14Å
20	R	92.9	Very high	92.1	Very high	170 Å²	170	113.9 Å²	113.9	64%	0.642	55%	0.545	S	S	*	.	H	α-helix	trans	-73.4	-47.6	173.5	-72.6	173.2	-169.2	-178.3	4.9	110.7	R16 Q17 A22 R23 E24	R16-R20 WeakPolarHBondContact O-CG 3.49Å; R16-R20 PolarHBondContact O-N 2.93Å; Q17-R20 WeakPolarHBondContact O-CA 3.42Å; Q17-R20 WeakPolarHBondContact O-CB 3.4Å; Q17-R20 PolarHBondContact O-N 3.36Å; R20-A22 PolarHBondContact O-N 2.89Å; R20-R23 WeakPolarHBondContact O-CA 3.48Å; R20-R23 WeakPolarHBondContact O-CB 3.42Å; R20-R23 PolarHBondContact O-N 3.39Å; R20-E24 PolarHBondContact O-N 2.96Å
21	E	95.4	Very high	92.5	Very high	129 Å²	129	110 Å²	110	60%	0.603	53%	0.534	S	S	*	.	H	α-helix	trans	-59	-46.3	178	-69.2	171.8	-172.1	0	0	111.3	Q17 R23 E24 A25	Q17-E21 PolarHBondContact O-N 2.83Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.08Å; E21-E24 PolarHBondContact O-N 3.2Å; E21-E24 VanDerWaalsContact O-N 3.16Å; E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 3.44Å
22	A	93.7	Very high	92.9	Very high	56 Å²	56	110 Å²	110	46%	0.463	53%	0.534	S	S	.	.	H	α-helix	trans	-59.7	-34.8	174.8	0	0	0	0	0	113	E18 R20 M26	E18-A22 WeakPolarHBondContact O-CB 3.39Å; E18-A22 PolarHBondContact O-N 3.35Å; R20-A22 PolarHBondContact O-N 2.89Å; A22-M26 WeakPolarHBondContact O-CB 3.46Å; A22-M26 WeakPolarHBondContact O-CG 3.32Å; A22-M26 PolarHBondContact O-N 2.92Å; A22-M26 VanDerWaalsContact O-N 3.14Å
23	R	93.7	Very high	93.1	Very high	187 Å²	187	112.2 Å²	112.2	71%	0.706	54%	0.54	S	S	*	.	H	α-helix	trans	-72.7	-37.9	176	-175.7	178.6	-179.5	178.2	-0	112.2	L19 R20 E21 L27	L19-R23 WeakPolarHBondContact O-CB 3.37Å; L19-R23 PolarHBondContact O-N 3.14Å; R20-R23 WeakPolarHBondContact O-CA 3.48Å; R20-R23 WeakPolarHBondContact O-CB 3.42Å; R20-R23 PolarHBondContact O-N 3.39Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 3.08Å; R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 2.87Å; R23-L27 VanDerWaalsContact O-N 3.1Å
24	E	94.7	Very high	93.2	Very high	122 Å²	122	111.1 Å²	111.1	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-69.2	-42.6	176.7	-72.9	-179.5	-171.5	0	0	111.5	R20 E21 M26 L27 Q28	R20-E24 PolarHBondContact O-N 2.96Å; E21-E24 PolarHBondContact O-N 3.2Å; E21-E24 VanDerWaalsContact O-N 3.16Å; E24-M26 PolarHBondContact O-N 2.9Å; E24-L27 PolarHBondContact O-N 3.08Å; E24-L27 VanDerWaalsContact O-N 3.08Å; E24-Q28 WeakPolarHBondContact O-CG 3.36Å; E24-Q28 PolarHBondContact O-N 3.1Å
25	A	95.7	Very high	93.2	Very high	53 Å²	53	111.2 Å²	111.2	44%	0.438	55%	0.545	S	S	.	.	H	α-helix	trans	-58.6	-43.8	172.5	0	0	0	0	0	112.3	E21 L27 Q28 Q29	E21-A25 WeakPolarHBondContact O-CB 3.43Å; E21-A25 PolarHBondContact O-N 3.44Å; A25-L27 VanDerWaalsContact C-N 3.31Å; A25-L27 PolarHBondContact O-N 2.97Å; A25-Q28 PolarHBondContact O-N 3.3Å; A25-Q29 WeakPolarHBondContact O-CB 3.43Å; A25-Q29 PolarHBondContact O-N 3.32Å
26	M	90.6	Very high	93.2	Very high	137 Å²	137	113.9 Å²	113.9	68%	0.675	55%	0.551	S	S	*	*	H	α-helix	trans	-60.2	-36.9	173.2	-84.6	-91	-79.5	0	0	113	A22 E24 A30	A22-M26 WeakPolarHBondContact O-CB 3.46Å; A22-M26 WeakPolarHBondContact O-CG 3.32Å; A22-M26 PolarHBondContact O-N 2.92Å; A22-M26 VanDerWaalsContact O-N 3.14Å; E24-M26 PolarHBondContact O-N 2.9Å; M26-A30 WeakPolarHBondContact O-CB 2.82Å; M26-A30 PolarHBondContact O-N 3.46Å; M26-A30 VanDerWaalsContact O-N 3.09Å
27	L	93.5	Very high	93	Very high	99 Å²	99	115.1 Å²	115.1	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-74.4	-35.7	176.7	-72.5	171.4	0	0	0	112.6	R23 E24 A25 A30 K31	R23-L27 WeakPolarHBondContact O-CG 3.45Å; R23-L27 PolarHBondContact O-N 2.87Å; R23-L27 VanDerWaalsContact O-N 3.1Å; E24-L27 PolarHBondContact O-N 3.08Å; E24-L27 VanDerWaalsContact O-N 3.08Å; A25-L27 VanDerWaalsContact C-N 3.31Å; A25-L27 PolarHBondContact O-N 2.97Å; L27-A30 PolarHBondContact O-N 3.16Å; L27-K31 WeakPolarHBondContact O-CG 3.35Å; L27-K31 PolarHBondContact O-N 3.28Å; L27-K31 VanDerWaalsContact O-N 3.09Å
28	Q	94	Very high	92.7	Very high	117 Å²	117	110.8 Å²	110.8	55%	0.547	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-51	173	-72	175	-2.2	0	0	110.7	E24 A25 A30 K31 E32	E24-Q28 WeakPolarHBondContact O-CG 3.36Å; E24-Q28 PolarHBondContact O-N 3.1Å; A25-Q28 PolarHBondContact O-N 3.3Å; Q28-A30 PolarHBondContact O-N 3.28Å; Q28-K31 WeakPolarHBondContact O-CA 3.49Å; Q28-K31 WeakPolarHBondContact O-CB 3.39Å; Q28-K31 PolarHBondContact O-N 3.07Å; Q28-E32 PolarHBondContact O-N 3.05Å
29	Q	93.3	Very high	92.4	Very high	85 Å²	85	111.5 Å²	111.5	40%	0.397	55%	0.545	S	S	.	.	H	α-helix	trans	-59.1	-33.3	176.1	-169.8	-176.6	71.7	0	0	112.3	A25 R33	A25-Q29 WeakPolarHBondContact O-CB 3.43Å; A25-Q29 PolarHBondContact O-N 3.32Å; Q29-R33 WeakPolarHBondContact O-CB 3.49Å; Q29-R33 VanDerWaalsContact O-CG 3.22Å; Q29-R33 WeakPolarHBondContact O-CG 3.36Å; Q29-R33 PolarHBondContact O-N 3.33Å; Q29-R33 VanDerWaalsContact O-N 3.11Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.14Å
30	A	92.7	Very high	91.9	Very high	55 Å²	55	113.3 Å²	113.3	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-68.7	-35.9	174.2	0	0	0	0	0	113	M26 L27 Q28 A34	M26-A30 WeakPolarHBondContact O-CB 2.82Å; M26-A30 PolarHBondContact O-N 3.46Å; M26-A30 VanDerWaalsContact O-N 3.09Å; L27-A30 PolarHBondContact O-N 3.16Å; Q28-A30 PolarHBondContact O-N 3.28Å; A30-A34 PolarHBondContact O-N 2.9Å
31	K	94.7	Very high	91.4	Very high	141 Å²	141	110.6 Å²	110.6	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-67.6	-50.5	174	-72.5	174.9	178.8	-177.4	0	111.4	L27 Q28 R33 A34 E35	L27-K31 WeakPolarHBondContact O-CG 3.35Å; L27-K31 PolarHBondContact O-N 3.28Å; L27-K31 VanDerWaalsContact O-N 3.09Å; Q28-K31 WeakPolarHBondContact O-CA 3.49Å; Q28-K31 WeakPolarHBondContact O-CB 3.39Å; Q28-K31 PolarHBondContact O-N 3.07Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 2.77Å; K31-A34 CarbonylContact O-C 3.54Å; K31-A34 WeakPolarHBondContact O-CA 3.34Å; K31-A34 WeakPolarHBondContact O-CB 3.19Å; K31-A34 PolarHBondContact O-N 3.33Å; K31-E35 PolarHBondContact O-N 3.35Å
32	E	94.3	Very high	90.7	Very high	116 Å²	116	112.6 Å²	112.6	54%	0.542	54%	0.539	S	S	.	.	H	α-helix	trans	-55.5	-44.2	177.2	-67.6	172.9	168.4	0	0	111.8	Q28 A34 E35 L36	Q28-E32 PolarHBondContact O-N 3.05Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 3.33Å; E32-E35 PolarHBondContact O-N 3.18Å; E32-L36 WeakPolarHBondContact O-CB 3.28Å; E32-L36 WeakPolarHBondContact O-CG 2.98Å; E32-L36 PolarHBondContact O-N 3.19Å
33	R	91.4	Very high	90.1	Very high	142 Å²	142	115 Å²	115	54%	0.536	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-29.8	175.1	-75.1	174.3	178.5	175.2	5	113.2	Q29 K31 R37	Q29-R33 WeakPolarHBondContact O-CB 3.49Å; Q29-R33 VanDerWaalsContact O-CG 3.22Å; Q29-R33 WeakPolarHBondContact O-CG 3.36Å; Q29-R33 PolarHBondContact O-N 3.33Å; Q29-R33 VanDerWaalsContact O-N 3.11Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.14Å; K31-R33 VanDerWaalsContact C-N 3.29Å; K31-R33 PolarHBondContact O-N 2.77Å; R33-R37 WeakPolarHBondContact O-CD 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.3Å; R33-R37 PolarHBondContact O-N 2.96Å
34	A	92.1	Very high	89.3	Confident	59 Å²	59	110.2 Å²	110.2	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-76	-41	174.8	0	0	0	0	0	111.5	A30 K31 E32 R37 G38	A30-A34 PolarHBondContact O-N 2.9Å; K31-A34 CarbonylContact O-C 3.54Å; K31-A34 WeakPolarHBondContact O-CA 3.34Å; K31-A34 WeakPolarHBondContact O-CB 3.19Å; K31-A34 PolarHBondContact O-N 3.33Å; E32-A34 VanDerWaalsContact C-N 3.28Å; E32-A34 PolarHBondContact O-N 3.33Å; A34-R37 WeakPolarHBondContact O-CB 3.27Å; A34-R37 PolarHBondContact O-N 3.34Å; A34-G38 PolarHBondContact O-N 2.94Å
35	E	91.9	Very high	88.3	Confident	125 Å²	125	110.1 Å²	110.1	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-44.7	175.8	-71.1	175.9	-165.4	0	0	111.9	K31 E32 R37 G38 Q39	K31-E35 PolarHBondContact O-N 3.35Å; E32-E35 PolarHBondContact O-N 3.18Å; E35-R37 VanDerWaalsContact C-N 3.28Å; E35-R37 PolarHBondContact O-N 3.27Å; E35-G38 PolarHBondContact O-N 3.29Å; E35-G38 VanDerWaalsContact O-N 3.16Å; E35-Q39 WeakPolarHBondContact O-CG 3.48Å; E35-Q39 PolarHBondContact O-N 3.04Å
36	L	92.2	Very high	87.3	Confident	110 Å²	110	114.9 Å²	114.9	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-60.6	-34.8	173.7	-74.6	169	0	0	0	112.7	E32 R40	E32-L36 WeakPolarHBondContact O-CB 3.28Å; E32-L36 WeakPolarHBondContact O-CG 2.98Å; E32-L36 PolarHBondContact O-N 3.19Å; L36-R40 WeakPolarHBondContact O-CB 3.37Å; L36-R40 PolarHBondContact O-N 3.01Å
37	R	86.8	Confident	86.3	Confident	176 Å²	176	116.4 Å²	116.4	66%	0.664	54%	0.54	S	S	*	.	H	α-helix	trans	-66.2	-48.3	172.4	-76	170	-174.8	-162.8	0.7	111.1	R33 A34 E35 Q39 R40 E41	R33-R37 WeakPolarHBondContact O-CD 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.3Å; R33-R37 PolarHBondContact O-N 2.96Å; A34-R37 WeakPolarHBondContact O-CB 3.27Å; A34-R37 PolarHBondContact O-N 3.34Å; E35-R37 VanDerWaalsContact C-N 3.28Å; E35-R37 PolarHBondContact O-N 3.27Å; R37-Q39 PolarHBondContact O-N 3.35Å; R37-R40 WeakPolarHBondContact O-CB 3.42Å; R37-R40 PolarHBondContact O-N 2.92Å; R37-R40 VanDerWaalsContact O-N 3.15Å; R37-E41 WeakPolarHBondContact O-CG 3.49Å; R37-E41 PolarHBondContact O-N 2.81Å
38	G	87.2	Confident	85	Confident	23 Å²	23	113 Å²	113	24%	0.237	53%	0.53	C	S	.	.	H	α-helix	trans	-62.5	-38.3	177.8	0	0	0	0	0	113.4	A34 E35 E41 R42	A34-G38 PolarHBondContact O-N 2.94Å; E35-G38 PolarHBondContact O-N 3.29Å; E35-G38 VanDerWaalsContact O-N 3.16Å; G38-E41 PolarHBondContact O-N 3.24Å; G38-R42 WeakPolarHBondContact O-CG 3.4Å; G38-R42 PolarHBondContact O-N 3.45Å
39	Q	87.1	Confident	83.5	Confident	107 Å²	107	110.2 Å²	110.2	50%	0.5	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-43	172.2	-71.2	-178.5	20.9	0	0	111.6	E35 R37 E41 R42 Q43	E35-Q39 WeakPolarHBondContact O-CG 3.48Å; E35-Q39 PolarHBondContact O-N 3.04Å; R37-Q39 PolarHBondContact O-N 3.35Å; Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.16Å; Q39-R42 PolarHBondContact O-N 3.03Å; Q39-Q43 WeakPolarHBondContact O-CG 3.35Å; Q39-Q43 PolarHBondContact O-N 3.31Å
40	R	83.2	Confident	82.2	Confident	171 Å²	171	108.3 Å²	108.3	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-65.7	-35.8	176.2	-171.1	178	-177.5	-171.4	1.3	112.2	L36 R37 K44	L36-R40 WeakPolarHBondContact O-CB 3.37Å; L36-R40 PolarHBondContact O-N 3.01Å; R37-R40 WeakPolarHBondContact O-CB 3.42Å; R37-R40 PolarHBondContact O-N 2.92Å; R37-R40 VanDerWaalsContact O-N 3.15Å; R40-K44 VanDerWaalsContact O-CG 3.3Å; R40-K44 WeakPolarHBondContact O-CG 3.5Å; R40-K44 PolarHBondContact O-N 3.12Å; R40-K44 VanDerWaalsContact O-N 3.12Å
41	E	80.5	Confident	80.9	Confident	113 Å²	113	113.1 Å²	113.1	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-67.1	-47.3	174.5	-75.4	164.9	-178.7	0	0	111.2	R37 G38 Q39 Q43 K44 E45	R37-E41 WeakPolarHBondContact O-CG 3.49Å; R37-E41 PolarHBondContact O-N 2.81Å; G38-E41 PolarHBondContact O-N 3.24Å; Q39-E41 VanDerWaalsContact C-N 3.34Å; Q39-E41 PolarHBondContact O-N 3.16Å; E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.44Å; E41-K44 WeakPolarHBondContact O-CA 3.5Å; E41-K44 WeakPolarHBondContact O-CB 3.42Å; E41-K44 PolarHBondContact O-N 3.22Å; E41-E45 WeakPolarHBondContact O-CG 3.35Å; E41-E45 PolarHBondContact O-N 3.38Å
42	R	81.4	Confident	79.6	Confident	170 Å²	170	108 Å²	108	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-60.1	-38.6	172.8	-71.1	178.7	-172.2	165.9	3.2	113.3	G38 Q39 K44 E45 L46	G38-R42 WeakPolarHBondContact O-CG 3.4Å; G38-R42 PolarHBondContact O-N 3.45Å; Q39-R42 PolarHBondContact O-N 3.03Å; R42-K44 VanDerWaalsContact C-N 3.29Å; R42-K44 PolarHBondContact O-N 2.85Å; R42-E45 PolarHBondContact O-N 2.93Å; R42-L46 WeakPolarHBondContact O-CB 3.37Å; R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 3.32Å
43	Q	81.1	Confident	78.7	Confident	107 Å²	107	105.5 Å²	105.5	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-33.6	174.5	-77.1	-176.3	7.3	0	0	112.4	Q39 E41 R47	Q39-Q43 WeakPolarHBondContact O-CG 3.35Å; Q39-Q43 PolarHBondContact O-N 3.31Å; E41-Q43 VanDerWaalsContact C-N 3.33Å; E41-Q43 PolarHBondContact O-N 3.44Å; Q43-R47 VanDerWaalsContact O-CG 3.27Å; Q43-R47 WeakPolarHBondContact O-CG 3.22Å; Q43-R47 PolarHBondContact O-N 3.04Å
44	K	76.5	Confident	77.9	Confident	86 Å²	86	99.7 Å²	99.7	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-68.5	-45.8	172.1	-71.3	172.4	171.7	-172	0	111.3	R40 E41 R42 L46 R47 G48 E49	R40-K44 VanDerWaalsContact O-CG 3.3Å; R40-K44 WeakPolarHBondContact O-CG 3.5Å; R40-K44 PolarHBondContact O-N 3.12Å; R40-K44 VanDerWaalsContact O-N 3.12Å; E41-K44 WeakPolarHBondContact O-CA 3.5Å; E41-K44 WeakPolarHBondContact O-CB 3.42Å; E41-K44 PolarHBondContact O-N 3.22Å; R42-K44 VanDerWaalsContact C-N 3.29Å; R42-K44 PolarHBondContact O-N 2.85Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.31Å; K44-R47 CarbonylContact O-C 3.52Å; K44-R47 PolarHBondContact O-N 2.89Å; K44-R47 VanDerWaalsContact O-N 3.16Å; K44-G48 PolarHBondContact O-N 2.92Å; K44-E49 HydrophobicContact CB-CB 3.96Å; K44-E49 HydrophobicContact CG-CB 4.41Å; K44-E49 WeakPolarHBondContact O-CB 3.29Å; K44-E49 PolarHBondContact O-N 3.1Å
45	E	74.8	Confident	77.1	Confident	121 Å²	121	101.2 Å²	101.2	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-56.9	-46.5	175.3	-70.2	169.4	167.9	0	0	111.5	E41 R42 R47 G48 A50	E41-E45 WeakPolarHBondContact O-CG 3.35Å; E41-E45 PolarHBondContact O-N 3.38Å; R42-E45 PolarHBondContact O-N 2.93Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.06Å; E45-G48 WeakPolarHBondContact O-CA 3.22Å; E45-G48 PolarHBondContact O-N 3.39Å; E45-A50 HydrophobicContact CG-CB 3.96Å
46	L	73.3	Confident	76.4	Confident	153 Å²	153	96.4 Å²	96.4	80%	0.801	47%	0.466	S	S	*	.	H	α-helix	trans	-63.1	-28.6	176.9	-73.3	168	0	0	0	113.9	R42 K44	R42-L46 WeakPolarHBondContact O-CB 3.37Å; R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 3.32Å; K44-L46 VanDerWaalsContact C-N 3.35Å; K44-L46 PolarHBondContact O-N 3.31Å
47	R	70.8	Confident	75.7	Confident	168 Å²	168	91.4 Å²	91.4	63%	0.634	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	1.5	171	-68.1	172.2	-178	-172.5	0	113.2	Q43 K44 E45 E49	Q43-R47 VanDerWaalsContact O-CG 3.27Å; Q43-R47 WeakPolarHBondContact O-CG 3.22Å; Q43-R47 PolarHBondContact O-N 3.04Å; K44-R47 CarbonylContact O-C 3.52Å; K44-R47 PolarHBondContact O-N 2.89Å; K44-R47 VanDerWaalsContact O-N 3.16Å; E45-R47 VanDerWaalsContact C-N 3.28Å; E45-R47 PolarHBondContact O-N 3.06Å; R47-E49 HydrophobicContact CB-CG 3.91Å; R47-E49 WeakPolarHBondContact CD-OE1 3.47Å; R47-E49 IonicContact CZ-OE1 3.9Å; R47-E49 IonicContact NE-OE1 3.74Å; R47-E49 IonicContact NH1-OE1 3.95Å; R47-E49 PolarHBondContact NH1-OE1 2.85Å; R47-E49 PolarHBondContact O-N 3.5Å
48	G	65.2	Low	75.3	Confident	29 Å²	29	84.1 Å²	84.1	30%	0.299	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	17.3	-169.4	0	0	0	0	0	113.4	K44 E45 A50 K673	K44-G48 PolarHBondContact O-N 2.92Å; E45-G48 WeakPolarHBondContact O-CA 3.22Å; E45-G48 PolarHBondContact O-N 3.39Å; G48-A50 PolarHBondContact O-N 3.15Å; G48-K673 VanDerWaalsContact C-NZ 3.3Å; G48-K673 WeakPolarHBondContact O-CE 3.39Å; G48-K673 PolarHBondContact O-NZ 2.92Å
49	E	64.2	Low	74.9	Confident	58 Å²	58	89.5 Å²	89.5	27%	0.271	43%	0.434	S	S	.	.			trans	-67.9	-11.3	176.5	-69.9	178.2	-146.7	0	0	112.1	K44 R47 W52	K44-E49 HydrophobicContact CB-CB 3.96Å; K44-E49 HydrophobicContact CG-CB 4.41Å; K44-E49 WeakPolarHBondContact O-CB 3.29Å; K44-E49 PolarHBondContact O-N 3.1Å; R47-E49 HydrophobicContact CB-CG 3.91Å; R47-E49 WeakPolarHBondContact CD-OE1 3.47Å; R47-E49 IonicContact CZ-OE1 3.9Å; R47-E49 IonicContact NE-OE1 3.74Å; R47-E49 IonicContact NH1-OE1 3.95Å; R47-E49 PolarHBondContact NH1-OE1 2.85Å; R47-E49 PolarHBondContact O-N 3.5Å; E49-W52 VanDerWaalsContact O-CD1 3.3Å
50	A	64.1	Low	74.4	Confident	45 Å²	45	87 Å²	87	37%	0.372	42%	0.421	S	S	.	.	S	Bend	trans	-73.9	-60.1	172.5	0	0	0	0	0	111.9	E45 G48 W52	E45-A50 HydrophobicContact CG-CB 3.96Å; G48-A50 PolarHBondContact O-N 3.15Å; A50-W52 VanDerWaalsContact C-N 3.35Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.16Å
51	D	66.3	Low	74.2	Confident	156 Å²	156	81.3 Å²	81.3	83%	0.834	40%	0.403	S	S	*	.	S	Bend	trans	-92.7	57.4	-174.7	-68.3	-18.1	0	0	0	112.4
52	W	67.6	Low	73.7	Confident	32 Å²	32	83.2 Å²	83.2	12%	0.121	41%	0.412	C	S	.	.			trans	-88.1	-17.2	-179	68.8	-89.3	0	0	0	114.5	E49 A50 K484 Q485 I669 V672 K673	E49-W52 VanDerWaalsContact O-CD1 3.3Å; A50-W52 VanDerWaalsContact C-N 3.35Å; A50-W52 PolarHBondContact O-N 2.92Å; A50-W52 VanDerWaalsContact O-N 3.16Å; W52-K484 WeakPolarHBondContact CH2-O 3.49Å; W52-Q485 VanDerWaalsContact CH2-CA 3.48Å; W52-Q485 WeakPolarHBondContact CH2-O 3.34Å; W52-Q485 HydrophobicContact CZ2-CB 4.4Å; W52-Q485 WeakPolarHBondContact CZ3-O 3.29Å; W52-I669 HydrophobicContact CB-CG2 3.61Å; W52-I669 HydrophobicContact CD2-CG2 4.29Å; W52-I669 HydrophobicContact CG-CG2 3.78Å; W52-V672 HydrophobicContact CE3-CG1 3.96Å; W52-V672 HydrophobicContact CZ3-CG1 3.75Å; W52-K673 HydrophobicContact CB-CD 4.3Å; W52-K673 HydrophobicContact CB-CG 4.03Å
53	M	75.1	Confident	72.7	Confident	65 Å²	65	82.2 Å²	82.2	32%	0.32	41%	0.413	S	S	.	.	S	Bend	trans	-84	143.2	-178.1	-68.8	178.4	-71.7	0	0	111.6	L57 A58 L61	M53-L57 HydrophobicContact CB-CD2 3.96Å; M53-L57 HydrophobicContact CG-CD2 3.83Å; M53-L57 HydrophobicContact SD-CD2 3.86Å; M53-A58 HydrophobicContact CB-CB 4.38Å; M53-L61 HydrophobicContact SD-CD1 3.51Å; M53-L61 VanDerWaalsContact SD-CD1 3.51Å
54	L	74.7	Confident	71	Confident	20 Å²	20	81.4 Å²	81.4	11%	0.105	42%	0.417	C	S	.	.			trans	-57.5	135.5	168.1	-71.1	177.7	0	0	0	109.9	A56 L57 A58 A676	L54-A56 PolarHBondContact O-N 3.43Å; L54-A56 VanDerWaalsContact O-N 3.08Å; L54-L57 HydrophobicContact CB-CB 4.29Å; L54-L57 WeakPolarHBondContact O-CA 3.42Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.45Å; L54-A58 PolarHBondContact O-N 3.36Å; L54-A676 HydrophobicContact CD1-CB 4.18Å; L54-A676 HydrophobicContact CD2-CB 4.04Å; L54-A676 HydrophobicContact CG-CB 3.93Å
55	P	74.8	Confident	69.5	Low	90 Å²	90	81.3 Å²	81.3	58%	0.584	43%	0.432	S	S	*	.	H	α-helix	trans	-57.1	-29.5	-178.3	-29.1	35.7	0	0	0	114.2	K59	P55-K59 WeakPolarHBondContact O-CB 3.43Å; P55-K59 WeakPolarHBondContact O-CD 3.43Å; P55-K59 WeakPolarHBondContact O-CG 3.32Å; P55-K59 PolarHBondContact O-N 3.09Å; P55-K59 VanDerWaalsContact O-N 3.07Å
56	A	77.2	Confident	67.9	Low	25 Å²	25	83.8 Å²	83.8	21%	0.207	44%	0.441	C	S	.	.	H	α-helix	trans	-66.1	-43.8	172.7	0	0	0	0	0	112.1	L54 K60 Q686	L54-A56 PolarHBondContact O-N 3.43Å; L54-A56 VanDerWaalsContact O-N 3.08Å; A56-K60 WeakPolarHBondContact O-CG 3.34Å; A56-K60 PolarHBondContact O-N 2.94Å; A56-K60 VanDerWaalsContact O-N 3.08Å; A56-Q686 HydrophobicContact CB-CG 3.99Å
57	L	78.3	Confident	66.2	Low	4 Å²	4	86.6 Å²	86.6	2%	0.021	45%	0.446	C	S	.	.	H	α-helix	trans	-67	-46.2	176.6	-175.9	123.8	0	0	0	111.2	M53 L54 K59 K60 L61 L487 L490	M53-L57 HydrophobicContact CB-CD2 3.96Å; M53-L57 HydrophobicContact CG-CD2 3.83Å; M53-L57 HydrophobicContact SD-CD2 3.86Å; L54-L57 HydrophobicContact CB-CB 4.29Å; L54-L57 WeakPolarHBondContact O-CA 3.42Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 3.45Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.18Å; L57-K60 CarbonylContact O-C 3.53Å; L57-K60 WeakPolarHBondContact O-CA 3.39Å; L57-K60 PolarHBondContact O-N 3.27Å; L57-L61 HydrophobicContact CD2-CD1 3.64Å; L57-L61 HydrophobicContact CD2-CG 4.18Å; L57-L61 HydrophobicContact CG-CD1 4.35Å; L57-L61 HydrophobicContact CG-CG 4.36Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 3.43Å; L57-L487 HydrophobicContact CD1-CB 4.03Å; L57-L487 HydrophobicContact CD2-CB 4.5Å; L57-L490 HydrophobicContact CD1-CB 4.17Å
58	A	78.5	Confident	64.6	Low	23 Å²	23	83.1 Å²	83.1	19%	0.19	45%	0.448	C	S	.	.	H	α-helix	trans	-54.8	-49.2	174.9	0	0	0	0	0	111.5	M53 L54 K60 L61 E62	M53-A58 HydrophobicContact CB-CB 4.38Å; L54-A58 PolarHBondContact O-N 3.36Å; A58-K60 PolarHBondContact O-N 3.31Å; A58-L61 PolarHBondContact O-N 3.09Å; A58-E62 WeakPolarHBondContact O-CB 3.26Å; A58-E62 WeakPolarHBondContact O-CG 3.34Å; A58-E62 PolarHBondContact O-N 2.97Å
59	K	78.3	Confident	63.3	Low	137 Å²	137	90.8 Å²	90.8	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-61.7	-24.6	174.4	-73.8	171.8	-177.4	179.3	0	114.4	P55 L57 K63	P55-K59 WeakPolarHBondContact O-CB 3.43Å; P55-K59 WeakPolarHBondContact O-CD 3.43Å; P55-K59 WeakPolarHBondContact O-CG 3.32Å; P55-K59 PolarHBondContact O-N 3.09Å; P55-K59 VanDerWaalsContact O-N 3.07Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.18Å; K59-K63 VanDerWaalsContact O-CD 3.29Å; K59-K63 WeakPolarHBondContact O-CD 3.41Å; K59-K63 WeakPolarHBondContact O-CE 3.14Å; K59-K63 VanDerWaalsContact O-CG 3.27Å; K59-K63 WeakPolarHBondContact O-CG 3.47Å
60	K	77.8	Confident	61.9	Low	55 Å²	55	96.7 Å²	96.7	24%	0.239	50%	0.498	C	S	.	.	H	α-helix	trans	-83.7	-37.9	174.4	-71.5	-176	-174	-168.2	0	111.4	A56 L57 A58 L490	A56-K60 WeakPolarHBondContact O-CG 3.34Å; A56-K60 PolarHBondContact O-N 2.94Å; A56-K60 VanDerWaalsContact O-N 3.08Å; L57-K60 CarbonylContact O-C 3.53Å; L57-K60 WeakPolarHBondContact O-CA 3.39Å; L57-K60 PolarHBondContact O-N 3.27Å; A58-K60 PolarHBondContact O-N 3.31Å; K60-L490 HydrophobicContact CB-CD2 3.72Å; K60-L490 HydrophobicContact CD-CB 4.14Å; K60-L490 HydrophobicContact CD-CD2 4Å; K60-L490 VanDerWaalsContact CD-O 3.31Å; K60-L490 WeakPolarHBondContact CD-O 3.28Å; K60-L490 WeakPolarHBondContact CE-O 3.43Å; K60-L490 HydrophobicContact CG-CD2 4.42Å; K60-L490 PolarHBondContact NZ-O 3.36Å
61	L	78.9	Confident	60.5	Low	51 Å²	51	102.1 Å²	102.1	27%	0.267	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-39.4	174.3	-67.9	-178.6	0	0	0	113.2	M53 L57 A58 K63 F477 L487	M53-L61 HydrophobicContact SD-CD1 3.51Å; M53-L61 VanDerWaalsContact SD-CD1 3.51Å; L57-L61 HydrophobicContact CD2-CD1 3.64Å; L57-L61 HydrophobicContact CD2-CG 4.18Å; L57-L61 HydrophobicContact CG-CD1 4.35Å; L57-L61 HydrophobicContact CG-CG 4.36Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 3.43Å; A58-L61 PolarHBondContact O-N 3.09Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.82Å; L61-F477 HydrophobicContact CD2-CE2 3.68Å; L61-F477 HydrophobicContact CD2-CZ 3.59Å; L61-L487 HydrophobicContact CD2-CD1 4.29Å
62	E	70	Confident	59.2	Low	152 Å²	152	101.6 Å²	101.6	71%	0.71	52%	0.523	S	S	*	.	S	Bend	trans	-70.8	-22.8	-178.8	-77	-173.9	161	0	0	113.8	A58 P64	A58-E62 WeakPolarHBondContact O-CB 3.26Å; A58-E62 WeakPolarHBondContact O-CG 3.34Å; A58-E62 PolarHBondContact O-N 2.97Å; E62-P64 WeakPolarHBondContact O-CD 3.31Å; E62-P64 WeakPolarHBondContact O-CG 3.42Å
63	K	58.6	Low	57.5	Low	150 Å²	150	105.5 Å²	105.5	65%	0.652	56%	0.555	S	S	*	*	S	Bend	trans	-67.7	100.8	177.5	-79.4	167.7	-172.7	173.6	0	109.1	K59 L61	K59-K63 VanDerWaalsContact O-CD 3.29Å; K59-K63 WeakPolarHBondContact O-CD 3.41Å; K59-K63 WeakPolarHBondContact O-CE 3.14Å; K59-K63 VanDerWaalsContact O-CG 3.27Å; K59-K63 WeakPolarHBondContact O-CG 3.47Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.82Å
64	P	46	Very low	55.5	Low	90 Å²	90	112.1 Å²	112.1	58%	0.584	58%	0.582	S	S	*	*			trans	-75.5	165.2	-178.8	-3.2	24.1	0	0	0	108.6	E62 K66	E62-P64 WeakPolarHBondContact O-CD 3.31Å; E62-P64 WeakPolarHBondContact O-CG 3.42Å; P64-K66 PolarHBondContact O-N 3.15Å
65	A	45.4	Very low	53.8	Low	84 Å²	84	120.8 Å²	120.8	69%	0.694	62%	0.621	S	S	*	*	S	Bend	trans	-65.1	54.6	179.6	0	0	0	0	0	115.1	S68	A65-S68 PolarHBondContact O-OG 3.14Å
66	K	40.1	Very low	51.7	Low	173 Å²	173	126.3 Å²	126.3	75%	0.752	64%	0.636	S	S	*	*			trans	-81.8	-13	176.8	-75.7	-176.7	175.6	175.2	0	113.3	P64	P64-K66 PolarHBondContact O-N 3.15Å
67	K	38.2	Very low	49.9	Very low	211 Å²	211	130.8 Å²	130.8	92%	0.917	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-78.1	-21.3	177.1	-81.5	-169.9	174.2	-176	0	114.2
68	S	37.1	Very low	47.8	Very low	96 Å²	96	142.4 Å²	142.4	67%	0.671	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-88.9	2.1	-175.1	55.2	0	0	0	0	115.9	A65	A65-S68 PolarHBondContact O-OG 3.14Å
69	K	38.5	Very low	45.9	Very low	189 Å²	189	147.2 Å²	147.2	82%	0.822	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-115.6	16.2	-174.4	-75.8	-173.1	174.7	177.1	0	116.1
70	K	34.7	Very low	43.7	Very low	183 Å²	183	149.9 Å²	149.9	80%	0.796	75%	0.754	S	S	*	*	S	Bend	trans	-103.3	-3.1	-171	-129.8	179.5	-178.4	-174.2	0	117.3
71	N	35.1	Very low	41.8	Very low	158 Å²	158	153 Å²	153	85%	0.845	78%	0.782	S	S	*	*	S	Bend	trans	-118.6	31.1	-171.3	-72.9	2.6	0	0	0	115.6
72	V	37.5	Very low	39.7	Very low	146 Å²	146	160 Å²	160	89%	0.885	81%	0.811	S	S	*	*			trans	-142.2	79.8	169.7	-169.3	0	0	0	0	111.5
73	S	32.1	Very low	38.1	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	81%	0.811	S	S	*	*			trans	-159.2	70.3	169.1	66.8	0	0	0	0	113.9
74	K	33	Very low	37	Very low	204 Å²	204	155.2 Å²	155.2	89%	0.887	81%	0.812	S	S	*	*			trans	-153.5	80.3	165.8	-122.1	-176.5	-174.9	-178.6	0	111.3
75	H	39	Very low	36.6	Very low	203 Å²	203	159.3 Å²	159.3	94%	0.94	82%	0.821	S	S	*	*			trans	-165.9	142.7	137.5	-109.4	-80.3	0	0	0	109
76	K	32.3	Very low	36.1	Very low	205 Å²	205	164.3 Å²	164.3	89%	0.891	83%	0.827	S	S	*	*			trans	-144.2	100.4	-156.8	-177.3	-174.8	-177.3	-178.2	0	111.5
77	S	39.4	Very low	35.8	Very low	120 Å²	120	160.4 Å²	160.4	84%	0.839	82%	0.822	S	S	*	*			trans	-164.1	153.7	163.4	49.6	0	0	0	0	111
78	R	32.4	Very low	35.6	Very low	247 Å²	247	162.3 Å²	162.3	93%	0.932	82%	0.823	S	S	*	*			cis	-175.1	94.4	-35.1	-161.7	173	168.7	-173.5	-5.3	105.5
79	S	38.6	Very low	35.4	Very low	124 Å²	124	166.3 Å²	166.3	87%	0.867	83%	0.829	S	S	*	*			trans	-145	170.3	175.6	59.9	0	0	0	0	110.8
80	K	32.2	Very low	35.3	Very low	194 Å²	194	164.5 Å²	164.5	84%	0.843	82%	0.823	S	S	*	*			trans	-150.9	-4.4	-151.5	-138	177.6	178.7	-174.4	0	121.4
81	S	38.2	Very low	35.2	Very low	121 Å²	121	166.2 Å²	166.2	85%	0.846	82%	0.824	S	S	*	*			trans	-91.6	121.8	-176.6	40.5	0	0	0	0	111.3
82	K	34.1	Very low	35	Very low	198 Å²	198	166.4 Å²	166.4	86%	0.861	83%	0.825	S	S	*	*			cis	58.9	125.8	47.2	-66.2	-171.3	175.2	-174.8	0	112.1
83	S	37.2	Very low	34.8	Very low	101 Å²	101	165.2 Å²	165.2	71%	0.706	82%	0.823	S	S	*	*			cis	-159.8	156.9	17.1	75.4	0	0	0	0	116.1
84	S	35.7	Very low	34.7	Very low	99 Å²	99	165.6 Å²	165.6	69%	0.692	83%	0.826	S	S	*	*			trans	64	156.4	144.8	89.5	0	0	0	0	119.5
85	K	37.7	Very low	34.7	Very low	176 Å²	176	161.7 Å²	161.7	77%	0.765	82%	0.824	S	S	*	*			cis	-158.3	149.4	9.3	-140.3	158.4	-170.7	172	0	109.4
86	K	34.9	Very low	34.3	Very low	190 Å²	190	157.5 Å²	157.5	83%	0.826	82%	0.818	S	S	*	*			trans	36.1	142.3	152.4	-73.8	179.7	176.2	-178.3	0	120.7
87	S	33	Very low	34.4	Very low	91 Å²	91	153.4 Å²	153.4	64%	0.636	82%	0.815	S	S	*	*			cis	158.8	128.1	-15.3	48.1	0	0	0	0	106.6
88	R	34.6	Very low	33.9	Very low	251 Å²	251	157 Å²	157	95%	0.947	82%	0.819	S	S	*	*			trans	179.4	145.4	131.5	-102.2	169.1	173	166.9	-3.1	111.9
89	K	32.7	Very low	34	Very low	180 Å²	180	150.4 Å²	150.4	78%	0.783	81%	0.81	S	S	*	*			trans	-74.7	150.1	177.1	-64.7	166.5	173.7	173.3	0	110
90	H	37.4	Very low	33.5	Very low	151 Å²	151	150.1 Å²	150.1	70%	0.699	81%	0.808	S	S	*	*				176.9	131.5	97.4	-97.5	-78.9	0	0	0	114.7
91	R	32.1	Very low	33.5	Very low	219 Å²	219	147 Å²	147	83%	0.826	81%	0.805	S	S	*	*			trans	41.6	119.3	141.2	-68.8	-178.5	172.5	177.9	-5.6	121.8
92	N	31.5	Very low	33	Very low	161 Å²	161	147 Å²	147	86%	0.861	81%	0.806	S	S	*	*			trans	-0	135.9	135.4	-51.8	3.7	0	0	0	118.4
93	S	32.1	Very low	32.9	Very low	121 Å²	121	143.2 Å²	143.2	85%	0.846	80%	0.804	S	S	*	*				-157.9	151	114.8	46.3	0	0	0	0	112
94	S	30.4	Very low	32.5	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	81%	0.808	S	S	*	*			trans	-73.1	152.7	177.3	39.3	0	0	0	0	112.7
95	S	32.9	Very low	32.1	Very low	122 Å²	122	144.1 Å²	144.1	85%	0.853	81%	0.811	S	S	*	*			trans	-139.6	126.2	141.8	54.7	0	0	0	0	109.8
96	S	30.6	Very low	31.8	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	81%	0.81	S	S	*	*			trans	-82.3	140.1	171.4	46.7	0	0	0	0	109.5
97	S	34.4	Very low	31.6	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	81%	0.813	S	S	*	*			trans	-128.7	123	158	47.4	0	0	0	0	109.2
98	E	29.5	Very low	31.7	Very low	196 Å²	196	141.5 Å²	141.5	92%	0.916	81%	0.813	S	S	*	*			trans	-81.4	135.3	175.9	-60.3	166.2	118.9	0	0	108.6
99	S	33.3	Very low	31.7	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	80%	0.802	S	S	*	*			trans	-147.3	113.9	158.3	53.5	0	0	0	0	110.7
100	S	28.5	Very low	31.8	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	80%	0.796	S	S	*	*			trans	-61.3	139.1	161.9	44.7	0	0	0	0	110
101	T	32.1	Very low	31.9	Very low	127 Å²	127	133.9 Å²	133.9	78%	0.779	80%	0.795	S	S	*	*			trans	-158.1	123.9	153	6.2	0	0	0	0	110
102	S	27.6	Very low	32.4	Very low	122 Å²	122	130 Å²	130	85%	0.853	78%	0.784	S	S	*	*			trans	-68.8	137.5	163.8	41.7	0	0	0	0	109.9
103	S	31.9	Very low	32.8	Very low	119 Å²	119	127.2 Å²	127.2	83%	0.832	77%	0.766	S	S	*	*			trans	-136.4	98.2	165.5	47.6	0	0	0	0	110.2
104	S	30.3	Very low	33.1	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	77%	0.768	S	S	*	*			trans	-60.2	138.8	167.5	47.7	0	0	0	0	110.9	S106	S104-S106 PolarHBondContact O-N 3.43Å
105	S	27.7	Very low	33.8	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	76%	0.761	S	S	*	*			trans	-64.1	119.1	172.4	52.2	0	0	0	0	112
106	S	31.2	Very low	34.3	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	76%	0.761	S	S	*	*			trans	-128.1	114.1	158.7	67.5	0	0	0	0	109.5	S104	S104-S106 PolarHBondContact O-N 3.43Å
107	F	29.4	Very low	34.6	Very low	204 Å²	204	141.4 Å²	141.4	90%	0.895	75%	0.751	S	S	*	*			trans	-58.8	141.1	163.8	-77.4	-117.4	0	0	0	109.1
108	S	36.4	Very low	34.9	Very low	91 Å²	91	145.6 Å²	145.6	64%	0.636	75%	0.754	S	S	*	*			trans	-132.1	134.5	165	77.3	0	0	0	0	112.1	D110	S108-D110 WeakPolarHBondContact CB-OD2 3.41Å; S108-D110 PolarHBondContact O-N 3.28Å; S108-D110 VanDerWaalsContact O-N 3.14Å; S108-D110 PolarHBondContact OG-OD2 3.43Å
109	E	34.3	Very low	35.4	Very low	151 Å²	151	145.5 Å²	145.5	71%	0.706	75%	0.75	S	S	*	*			trans	-85.4	59.1	-173.8	-67.2	-164.9	92.4	0	0	113.4	K112	E109-K112 IonicContact OE1-NZ 3.82Å; E109-K112 PolarHBondContact OE1-NZ 3.28Å
110	D	35.3	Very low	35.6	Very low	125 Å²	125	150.4 Å²	150.4	67%	0.668	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-1.8	-167.9	-81.1	-70	0	0	0	117.1	S108	S108-D110 WeakPolarHBondContact CB-OD2 3.41Å; S108-D110 PolarHBondContact O-N 3.28Å; S108-D110 VanDerWaalsContact O-N 3.14Å; S108-D110 PolarHBondContact OG-OD2 3.43Å
111	E	38.6	Very low	36	Very low	145 Å²	145	150.1 Å²	150.1	68%	0.678	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-10.6	179.7	-129.4	-144.9	112.8	0	0	115.6	K115	E111-K115 IonicContact OE1-NZ 2.65Å; E111-K115 PolarHBondContact OE1-NZ 3.08Å
112	K	42.4	Very low	36.2	Very low	138 Å²	138	153.7 Å²	153.7	60%	0.6	76%	0.761	S	S	*	*	S	Bend	trans	-82.7	-30.5	-174.3	-76.6	176.8	-173.8	159.9	0	114.5	E109	E109-K112 IonicContact OE1-NZ 3.82Å; E109-K112 PolarHBondContact OE1-NZ 3.28Å
113	E	39.9	Very low	36.5	Very low	102 Å²	102	160.1 Å²	160.1	48%	0.477	77%	0.766	S	S	.	*	G	3₁₀ helix	trans	-77.3	-27.8	-174.4	-163.8	173.9	143.4	0	0	113.8	K115 R116 R117	E113-K115 PolarHBondContact O-N 3.49Å; E113-K115 VanDerWaalsContact O-N 3.13Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-R117 IonicContact OE1-CZ 3.56Å; E113-R117 IonicContact OE1-NH1 3.59Å; E113-R117 PolarHBondContact OE1-NH1 2.92Å; E113-R117 IonicContact OE1-NH2 2.72Å; E113-R117 PolarHBondContact OE1-NH2 3.15Å
114	R	39.6	Very low	36.7	Very low	237 Å²	237	160 Å²	160	89%	0.894	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-67.6	-16.8	-172.9	-122.1	174.5	178.7	-179.7	-0.4	114.7
115	K	43.6	Very low	36.9	Very low	157 Å²	157	164.3 Å²	164.3	68%	0.683	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-94.7	-13.9	-178.5	-74	164.4	-177.1	142.7	0	114.6	E111 E113	E111-K115 IonicContact OE1-NZ 2.65Å; E111-K115 PolarHBondContact OE1-NZ 3.08Å; E113-K115 PolarHBondContact O-N 3.49Å; E113-K115 VanDerWaalsContact O-N 3.13Å
116	R	43.6	Very low	37.2	Very low	229 Å²	229	169 Å²	169	86%	0.864	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-7.6	-177.6	-78.3	-172.9	169.3	-162.5	-3.4	115.7	E113	E113-R116 PolarHBondContact O-N 2.95Å
117	R	38.3	Very low	37.2	Very low	154 Å²	154	170.1 Å²	170.1	58%	0.581	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	9.2	-173.8	-71	-163.9	173.6	110.1	10.6	117.6	E113 K239	E113-R117 IonicContact OE1-CZ 3.56Å; E113-R117 IonicContact OE1-NH1 3.59Å; E113-R117 PolarHBondContact OE1-NH1 2.92Å; E113-R117 IonicContact OE1-NH2 2.72Å; E113-R117 PolarHBondContact OE1-NH2 3.15Å; R117-K239 VanDerWaalsContact CZ-NZ 3.31Å; R117-K239 VanDerWaalsContact NH2-NZ 3.14Å
118	K	40.6	Very low	37.4	Very low	207 Å²	207	166 Å²	166	90%	0.9	76%	0.762	S	S	*	*	S	Bend	trans	-111.1	17.3	-178.1	-104.5	-176.6	178.5	-178.3	0	116.4
119	K	38.5	Very low	37.1	Very low	194 Å²	194	166.6 Å²	166.6	84%	0.843	77%	0.772	S	S	*	*			trans	-128	81.7	172.6	-81.4	-165.5	169.6	-163.5	0	112.2
120	K	37.1	Very low	37.1	Very low	211 Å²	211	164.6 Å²	164.6	92%	0.917	78%	0.775	S	S	*	*			trans	-162	77.6	161.1	-112.4	-176.5	-177.1	-174	0	110.7
121	S	37.8	Very low	37	Very low	113 Å²	113	167.5 Å²	167.5	79%	0.79	78%	0.784	S	S	*	*	S	Bend	trans	-170.4	150	152	54.3	0	0	0	0	110.4
122	K	35.6	Very low	37	Very low	202 Å²	202	167.9 Å²	167.9	88%	0.878	79%	0.791	S	S	*	*			trans	63.1	73.4	173.9	-54.6	-166.9	178.3	-170.4	0	116.5
123	R	35	Very low	36.6	Very low	257 Å²	257	169.9 Å²	169.9	97%	0.97	80%	0.803	S	S	*	*			trans	-80.3	128.5	136.9	-93.5	179.9	162.6	174.6	-6.6	107.2
124	S	36.3	Very low	36.6	Very low	117 Å²	117	177.2 Å²	177.2	82%	0.818	83%	0.826	S	S	*	*			trans	-143	121.3	155.5	56.1	0	0	0	0	107.9
125	R	34.7	Very low	36.9	Very low	202 Å²	202	171.8 Å²	171.8	76%	0.762	82%	0.819	S	S	*	*			trans	-67.9	142	-174.3	-179.6	-178.1	-175.2	170.2	1.8	110.9	E127	R125-E127 IonicContact CZ-OE1 3.04Å; R125-E127 VanDerWaalsContact CZ-OE1 3.26Å; R125-E127 IonicContact CZ-OE2 2.72Å; R125-E127 IonicContact NE-OE1 3.05Å; R125-E127 PolarHBondContact NE-OE1 3.13Å; R125-E127 IonicContact NE-OE2 2.67Å; R125-E127 PolarHBondContact NE-OE2 2.73Å; R125-E127 IonicContact NH2-OE1 3.4Å; R125-E127 PolarHBondContact NH2-OE1 3.34Å; R125-E127 IonicContact NH2-OE2 3.26Å; R125-E127 PolarHBondContact NH2-OE2 2.98Å
126	K	33.9	Very low	36.6	Very low	207 Å²	207	173.5 Å²	173.5	90%	0.9	83%	0.83	S	S	*	*			trans	-146.9	116.2	145.7	-155.6	172.9	-173.4	-176.6	0	107.9
127	E	29.8	Very low	36.6	Very low	129 Å²	129	167.2 Å²	167.2	60%	0.603	83%	0.827	S	S	*	*			trans	-82.2	151.4	173.2	-72.3	132.3	141.7	0	0	110.8	R125	R125-E127 IonicContact CZ-OE1 3.04Å; R125-E127 VanDerWaalsContact CZ-OE1 3.26Å; R125-E127 IonicContact CZ-OE2 2.72Å; R125-E127 IonicContact NE-OE1 3.05Å; R125-E127 PolarHBondContact NE-OE1 3.13Å; R125-E127 IonicContact NE-OE2 2.67Å; R125-E127 PolarHBondContact NE-OE2 2.73Å; R125-E127 IonicContact NH2-OE1 3.4Å; R125-E127 PolarHBondContact NH2-OE1 3.34Å; R125-E127 IonicContact NH2-OE2 3.26Å; R125-E127 PolarHBondContact NH2-OE2 2.98Å
128	S	33.7	Very low	37.1	Very low	118 Å²	118	165.4 Å²	165.4	83%	0.825	83%	0.834	S	S	*	*			trans	-151.4	117.4	152.5	52.6	0	0	0	0	106.2
129	A	31.3	Very low	37.2	Very low	104 Å²	104	161.1 Å²	161.1	86%	0.86	83%	0.828	S	S	*	*			trans	-85.1	145.6	177.3	0	0	0	0	0	110.4
130	S	34.4	Very low	37.9	Very low	109 Å²	109	158.1 Å²	158.1	76%	0.762	83%	0.828	S	S	*	*			trans	-151.5	123.4	150.4	56.3	0	0	0	0	106.6
131	E	32.9	Very low	38.2	Very low	185 Å²	185	156.4 Å²	156.4	86%	0.864	83%	0.828	S	S	*	*			trans	-78.6	144.6	175.3	-65.9	147.1	138.4	0	0	109.2
132	D	37.7	Very low	38.1	Very low	154 Å²	154	156 Å²	156	82%	0.824	83%	0.831	S	S	*	*			trans	-136	116.8	160.9	-84.1	-52.2	0	0	0	107.4
133	E	34.7	Very low	38.4	Very low	180 Å²	180	151 Å²	151	84%	0.841	83%	0.828	S	S	*	*			trans	-90.5	131.9	-173	-174.3	174.7	-174.6	0	0	110	V135	E133-V135 PolarHBondContact O-N 2.89Å
134	W	39.6	Very low	38.4	Very low	256 Å²	256	145.6 Å²	145.6	97%	0.97	82%	0.818	S	S	*	*			trans	-82.1	116.4	-178.5	-78.6	83.8	0	0	0	111.2
135	V	46.9	Very low	38.6	Very low	123 Å²	123	147.7 Å²	147.7	75%	0.745	82%	0.82	S	S	*	*			trans	-124.9	126.6	169	-176.8	0	0	0	0	109.2	E133	E133-V135 PolarHBondContact O-N 2.89Å
136	E	36.8	Very low	38.7	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-73.4	128.5	177.9	-64.1	-178.3	146	0	0	111.1
137	A	42.8	Very low	39	Very low	97 Å²	97	140.4 Å²	140.4	80%	0.802	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101	129.4	173.7	0	0	0	0	0	110.8
138	P	48.7	Very low	39.1	Very low	115 Å²	115	143.8 Å²	143.8	75%	0.747	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-75.6	156.9	180	31.3	-35.2	0	0	0	112.5
139	P	44.1	Very low	39.3	Very low	118 Å²	118	147.8 Å²	147.8	77%	0.766	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.6	132.3	-172.7	29.9	-34.9	0	0	0	112.7
140	P	51.2	Low	40	Very low	130 Å²	130	151.7 Å²	151.7	84%	0.844	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.6	145.2	173	29.9	-33	0	0	0	112.2
141	L	43.6	Very low	40.8	Very low	176 Å²	176	152 Å²	152	92%	0.921	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-77.7	162.9	-175.7	-67.9	162.6	0	0	0	113.1
142	A	36.1	Very low	41.8	Very low	103 Å²	103	149.3 Å²	149.3	85%	0.851	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-70.6	153.1	-173.1	0	0	0	0	0	115.2
143	A	41.6	Very low	42.3	Very low	99 Å²	99	150.9 Å²	150.9	82%	0.818	83%	0.832	S	S	*	*			trans	-146.9	138.5	156.4	0	0	0	0	0	109.6
144	D	36.7	Very low	43.5	Very low	142 Å²	142	150.2 Å²	150.2	76%	0.759	82%	0.822	S	S	*	*			trans	-78	154.5	-163.2	-61.3	-80.5	0	0	0	116.2
145	N	40.4	Very low	44.7	Very low	161 Å²	161	143.2 Å²	143.2	86%	0.861	80%	0.803	S	S	*	*				-165.4	91.3	125.3	-101.1	-51.7	0	0	0	114
146	V	36.6	Very low	45.4	Very low	114 Å²	114	143.8 Å²	143.8	69%	0.691	80%	0.802	S	S	*	*			trans	15.5	112.1	146.5	-170.3	0	0	0	0	119
147	T	38.8	Very low	47.1	Very low	142 Å²	142	142.4 Å²	142.4	87%	0.871	79%	0.789	S	S	*	*			trans	-143	127.8	131.2	16.7	0	0	0	0	109.8	K149	T147-K149 PolarHBondContact O-N 3.05Å
148	K	32.1	Very low	47.8	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	77%	0.773	S	S	*	*			trans	-72.4	119.7	-171.2	-66	175.8	177.3	178.5	0	112
149	K	39.1	Very low	48.4	Very low	203 Å²	203	141.1 Å²	141.1	88%	0.883	76%	0.763	S	S	*	*			trans	-140.4	136.4	154.5	-87	-174.3	174.8	177.1	0	109.1	T147	T147-K149 PolarHBondContact O-N 3.05Å
150	E	44.4	Very low	48.4	Very low	186 Å²	186	137.3 Å²	137.3	87%	0.869	74%	0.74	S	S	*	*			trans	-68.2	140	-176	-63.1	172.9	148.5	0	0	111
151	P	51.8	Low	48.7	Very low	114 Å²	114	139.5 Å²	139.5	74%	0.74	74%	0.739	S	S	*	*			trans	-70.6	141.1	172.3	30.4	-33.3	0	0	0	109.9	Q153	P151-Q153 PolarHBondContact O-N 3.28Å
152	P	55.1	Low	49.3	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	73%	0.73	S	S	*	*			trans	-64.9	112.3	178.3	26.4	-33.4	0	0	0	110.3	R154	P152-R154 PolarHBondContact O-N 3.27Å
153	Q	46.7	Very low	50.2	Low	186 Å²	186	136.6 Å²	136.6	87%	0.869	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.2	124.7	175.5	-157.2	169.5	-6.9	0	0	108.5	P151 D155	P151-Q153 PolarHBondContact O-N 3.28Å; Q153-D155 PolarHBondContact O-N 3.26Å
154	R	60.1	Low	50.4	Low	167 Å²	167	138.1 Å²	138.1	63%	0.63	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-78.6	120.2	-178.5	-177.9	179.2	177.7	105.8	-3	108.8	P152 M158	P152-R154 PolarHBondContact O-N 3.27Å; R154-M158 HydrophobicContact CG-CB 4.41Å
155	D	65.1	Low	51	Low	108 Å²	108	138.2 Å²	138.2	58%	0.578	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-56.6	136.5	-175.4	-58	-44.4	0	0	0	113.1	Q153 W157 M158	Q153-D155 PolarHBondContact O-N 3.26Å; D155-W157 VanDerWaalsContact CB-CD1 3.41Å; D155-W157 PolarHBondContact O-N 2.93Å; D155-M158 WeakPolarHBondContact O-CB 3.29Å; D155-M158 PolarHBondContact O-N 3.21Å
156	D	61.5	Low	51.4	Low	136 Å²	136	140.7 Å²	140.7	73%	0.727	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-59.8	-18.4	-175.1	-78.5	-42.5	0	0	0	115.1	M158 T159 S160	D156-M158 PolarHBondContact O-N 3Å; D156-T159 PolarHBondContact O-N 2.96Å; D156-T159 PolarHBondContact O-OG1 3.21Å; D156-S160 WeakPolarHBondContact O-CB 3.31Å; D156-S160 PolarHBondContact O-N 2.94Å; D156-S160 VanDerWaalsContact O-N 3.09Å
157	W	73.2	Confident	51.9	Low	163 Å²	163	140 Å²	140	62%	0.617	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-72.9	-14.1	175.2	79.6	-87.6	0	0	0	113.3	D155 S160 L163	D155-W157 VanDerWaalsContact CB-CD1 3.41Å; D155-W157 PolarHBondContact O-N 2.93Å; W157-S160 PolarHBondContact O-OG 3.22Å; W157-L163 HydrophobicContact CE3-CD1 4.24Å
158	M	57.2	Low	52.2	Low	97 Å²	97	142.1 Å²	142.1	48%	0.478	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-93	0.9	174.9	-73.1	-87.1	-87.6	0	0	113.3	R154 D155 D156	R154-M158 HydrophobicContact CG-CB 4.41Å; D155-M158 WeakPolarHBondContact O-CB 3.29Å; D155-M158 PolarHBondContact O-N 3.21Å; D156-M158 PolarHBondContact O-N 3Å
159	T	60.5	Low	52.9	Low	88 Å²	88	137.9 Å²	137.9	54%	0.54	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.4	-3.9	178.9	30.3	0	0	0	0	113	D156 E161	D156-T159 PolarHBondContact O-N 2.96Å; D156-T159 PolarHBondContact O-OG1 3.21Å; T159-E161 PolarHBondContact O-N 3.14Å
160	S	44.4	Very low	53.3	Low	39 Å²	39	140 Å²	140	27%	0.273	71%	0.706	S	S	.	*			trans	-72.8	122.4	-179.7	57	0	0	0	0	112.5	D156 W157 S162 L163	D156-S160 WeakPolarHBondContact O-CB 3.31Å; D156-S160 PolarHBondContact O-N 2.94Å; D156-S160 VanDerWaalsContact O-N 3.09Å; W157-S160 PolarHBondContact O-OG 3.22Å; S160-S162 PolarHBondContact O-N 2.9Å; S160-L163 PolarHBondContact O-N 3.16Å
161	E	57.6	Low	53.3	Low	175 Å²	175	139.7 Å²	139.7	82%	0.818	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-60.5	-13.7	179.7	-66.3	-175.6	121.7	0	0	113.8	T159	T159-E161 PolarHBondContact O-N 3.14Å
162	S	57.1	Low	52.8	Low	106 Å²	106	144.7 Å²	144.7	74%	0.741	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-76.9	-11.6	-178.9	39.5	0	0	0	0	115.2	S160	S160-S162 PolarHBondContact O-N 2.9Å
163	L	53.9	Low	52.6	Low	113 Å²	113	148 Å²	148	59%	0.592	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-102.1	-0.7	174.8	-72.6	174.8	0	0	0	114.4	W157 S160 L165	W157-L163 HydrophobicContact CE3-CD1 4.24Å; S160-L163 PolarHBondContact O-N 3.16Å; L163-L165 PolarHBondContact O-N 3.26Å; L163-L165 VanDerWaalsContact O-N 3.16Å
164	L	46.8	Very low	53.1	Low	130 Å²	130	146.6 Å²	146.6	68%	0.681	70%	0.703	S	S	*	*			trans	-75.6	101.4	173.5	-77.1	162.1	0	0	0	110.7	K166	L164-K166 PolarHBondContact O-N 3.36Å
165	L	49.1	Very low	52.7	Low	144 Å²	144	144.6 Å²	144.6	75%	0.754	71%	0.712	S	S	*	*			trans	-56.1	121.8	164.9	-84.5	80.7	0	0	0	109.1	L163 T167	L163-L165 PolarHBondContact O-N 3.26Å; L163-L165 VanDerWaalsContact O-N 3.16Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 HydrophobicContact CB-CG2 4.42Å; L165-T167 PolarHBondContact O-N 3Å; L165-T167 PolarHBondContact O-OG1 3.31Å
166	K	48.3	Very low	52.4	Low	213 Å²	213	144 Å²	144	93%	0.926	72%	0.722	S	S	*	*			trans	-72.7	72.5	-179.1	-66.4	177.1	178.1	175.8	0	111.7	L164	L164-K166 PolarHBondContact O-N 3.36Å
167	T	46.8	Very low	52.1	Low	101 Å²	101	146.9 Å²	146.9	62%	0.62	73%	0.728	S	S	*	*			trans	-100	1.9	177.9	50.1	0	0	0	0	114.3	L165	L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 HydrophobicContact CB-CG2 4.42Å; L165-T167 PolarHBondContact O-N 3Å; L165-T167 PolarHBondContact O-OG1 3.31Å
168	F	46.2	Very low	51	Low	185 Å²	185	144 Å²	144	81%	0.811	73%	0.73	S	S	*	*			trans	-129.2	90	177.3	-63	-78.6	0	0	0	111.9	R170	F168-R170 PolarHBondContact O-N 2.98Å
169	S	45.5	Very low	51	Low	112 Å²	112	144.7 Å²	144.7	78%	0.783	74%	0.736	S	S	*	*			trans	-68.5	110.8	161.1	39.8	0	0	0	0	109.1	E171	S169-E171 PolarHBondContact O-N 2.93Å
170	R	48.2	Very low	50.8	Low	246 Å²	246	148.4 Å²	148.4	93%	0.928	75%	0.747	S	S	*	*			trans	-70.7	17.2	-178.6	-88.8	176.6	66.5	172.8	0.1	115	F168 R172	F168-R170 PolarHBondContact O-N 2.98Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.03Å
171	E	45.2	Very low	51.3	Low	181 Å²	181	154.4 Å²	154.4	85%	0.846	77%	0.768	S	S	*	*			trans	-78	84.7	172	-75.1	-165.1	140.2	0	0	110.7	S169 K173	S169-E171 PolarHBondContact O-N 2.93Å; E171-K173 VanDerWaalsContact C-N 3.27Å; E171-K173 PolarHBondContact O-N 3.27Å
172	R	41.4	Very low	51.2	Low	219 Å²	219	149.2 Å²	149.2	83%	0.826	76%	0.755	S	S	*	*			trans	-70.6	81.4	173.6	-165.1	-178	-163.3	-128.3	9.2	109.9	R170 E174	R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.03Å; R172-E174 PolarHBondContact O-N 2.88Å; R172-E174 VanDerWaalsContact O-N 3.12Å
173	K	50.9	Low	51	Low	200 Å²	200	151.6 Å²	151.6	87%	0.87	75%	0.754	S	S	*	*			trans	-64.1	108.5	172.9	-153.5	172.7	-169.2	174.2	0	108.4	E171	E171-K173 VanDerWaalsContact C-N 3.27Å; E171-K173 PolarHBondContact O-N 3.27Å
174	E	55.4	Low	50.9	Low	156 Å²	156	154 Å²	154	73%	0.729	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-63	134.8	-175.4	-64.4	-154.6	138.5	0	0	111.3	R172 A176	R172-E174 PolarHBondContact O-N 2.88Å; R172-E174 VanDerWaalsContact O-N 3.12Å; E174-A176 PolarHBondContact O-N 3.22Å
175	P	53.3	Low	51.3	Low	124 Å²	124	154.7 Å²	154.7	81%	0.805	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67.6	127.5	173.8	28.1	-32.8	0	0	0	109.4	K177	P175-K177 PolarHBondContact O-N 2.92Å
176	A	58.1	Low	51.7	Low	96 Å²	96	155.4 Å²	155.4	79%	0.793	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-56.5	139.2	176.3	0	0	0	0	0	110.8	E174	E174-A176 PolarHBondContact O-N 3.22Å
177	K	55.3	Low	52.4	Low	197 Å²	197	149.6 Å²	149.6	86%	0.857	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-52.9	131.7	-177.6	-67.8	-179.4	178.8	179.5	0	110.7	P175 N179	P175-K177 PolarHBondContact O-N 2.92Å; K177-N179 PolarHBondContact O-N 3.46Å
178	P	50.6	Low	53.6	Low	102 Å²	102	152.3 Å²	152.3	66%	0.662	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.3	133.9	178	26.1	-33.3	0	0	0	110.4	E180	P178-E180 PolarHBondContact O-N 3.07Å
179	N	56.9	Low	54.6	Low	111 Å²	111	146.7 Å²	146.7	59%	0.594	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-61	123.2	-179.1	-176.4	-8.7	0	0	0	110.7	K177 K181 A182	K177-N179 PolarHBondContact O-N 3.46Å; N179-K181 PolarHBondContact O-N 3.12Å; N179-K181 PolarHBondContact OD1-N 3.26Å; N179-A182 WeakPolarHBondContact O-CB 3.34Å; N179-A182 PolarHBondContact O-N 2.82Å
180	E	56.1	Low	55.7	Low	166 Å²	166	142.6 Å²	142.6	78%	0.776	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-53.4	-28	-176.9	-68.5	176.4	135.9	0	0	113	P178 A182 Q183	P178-E180 PolarHBondContact O-N 3.07Å; E180-A182 PolarHBondContact O-N 2.7Å; E180-Q183 PolarHBondContact O-N 3Å; E180-Q183 VanDerWaalsContact O-N 3.08Å
181	K	55.4	Low	56.8	Low	166 Å²	166	133.6 Å²	133.6	72%	0.722	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-63.1	-21	176.5	-64.7	-173.7	176.7	-176.9	0	114.4	N179 Q183	N179-K181 PolarHBondContact O-N 3.12Å; N179-K181 PolarHBondContact OD1-N 3.26Å; K181-Q183 VanDerWaalsContact C-N 3.31Å
182	A	54.1	Low	58	Low	66 Å²	66	133 Å²	133	55%	0.545	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-76	-18.4	175.7	0	0	0	0	0	113.1	N179 E180 Q184	N179-A182 WeakPolarHBondContact O-CB 3.34Å; N179-A182 PolarHBondContact O-N 2.82Å; E180-A182 PolarHBondContact O-N 2.7Å; A182-Q184 VanDerWaalsContact C-N 3.33Å
183	Q	53.1	Low	59.5	Low	155 Å²	155	124.1 Å²	124.1	72%	0.724	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-85.3	-4.3	179.7	-61	-177.3	3.8	0	0	113.2	E180 K181	E180-Q183 PolarHBondContact O-N 3Å; E180-Q183 VanDerWaalsContact O-N 3.08Å; K181-Q183 VanDerWaalsContact C-N 3.31Å
184	Q	53.1	Low	60.6	Low	164 Å²	164	118.9 Å²	118.9	77%	0.766	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-99.5	13.4	178	-79.9	-174.2	-20	0	0	114.3	A182 D186	A182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-D186 PolarHBondContact O-N 3.44Å
185	I	54.3	Low	61.7	Low	145 Å²	145	122.4 Å²	122.4	74%	0.744	67%	0.665	S	S	*	*			trans	-79.2	82.1	168.7	-52.4	179.2	0	0	0	107.9	A187	I185-A187 PolarHBondContact O-N 3.12Å
186	D	57.8	Low	62.9	Low	158 Å²	158	119 Å²	119	85%	0.845	64%	0.639	S	S	*	*			trans	-51.1	126.6	170.7	-106.3	-24.3	0	0	0	109.4	Q184 Y188	Q184-D186 PolarHBondContact O-N 3.44Å; D186-Y188 PolarHBondContact O-N 2.97Å; D186-Y188 VanDerWaalsContact O-N 3.16Å
187	A	63.7	Low	63.8	Low	92 Å²	92	122.5 Å²	122.5	76%	0.76	64%	0.643	S	S	*	*			trans	-60.6	121	-179.1	0	0	0	0	0	109.7	I185 D189	I185-A187 PolarHBondContact O-N 3.12Å; A187-D189 PolarHBondContact O-N 3.29Å
188	Y	70.4	Confident	64.8	Low	158 Å²	158	115.6 Å²	115.6	62%	0.62	62%	0.616	S	S	*	*			trans	-58	106.6	-179.3	-177.2	-96.5	0	0	0	110.2	D186 P190 S193 E196	D186-Y188 PolarHBondContact O-N 2.97Å; D186-Y188 VanDerWaalsContact O-N 3.16Å; Y188-P190 HydrophobicContact CD1-CB 4.49Å; Y188-P190 HydrophobicContact CD1-CG 3.9Å; Y188-P190 HydrophobicContact CE1-CB 3.92Å; Y188-P190 HydrophobicContact CE1-CG 3.78Å; Y188-P190 WeakPolarHBondContact O-CD 3.25Å; Y188-S193 VanDerWaalsContact OH-CB 3.26Å; Y188-S193 WeakPolarHBondContact OH-CB 3.25Å; Y188-S193 PolarHBondContact OH-OG 3.3Å; Y188-E196 PolarHBondContact OH-OE1 2.9Å
189	D	67.8	Low	66.1	Low	66 Å²	66	114.7 Å²	114.7	35%	0.353	61%	0.609	S	S	.	*			trans	-99.8	98.8	179.7	-176.3	1.7	0	0	0	108.5	A187 A191 K192	A187-D189 PolarHBondContact O-N 3.29Å; D189-A191 PolarHBondContact O-N 3.06Å; D189-A191 VanDerWaalsContact O-N 3.12Å; D189-K192 HydrophobicContact CB-CD 4.22Å; D189-K192 HydrophobicContact CB-CG 4.5Å; D189-K192 PolarHBondContact O-N 3.3Å; D189-K192 WeakPolarHBondContact OD2-CD 3.41Å; D189-K192 WeakPolarHBondContact OD2-CE 3.32Å; D189-K192 IonicContact OD2-NZ 3.84Å; D189-K192 PolarHBondContact OD2-NZ 3.34Å
190	P	68.2	Low	67	Low	26 Å²	26	114.7 Å²	114.7	17%	0.169	60%	0.602	C	S	.	*	G	3₁₀ helix	trans	-63.1	-27.1	-169.4	-17.3	29.9	0	0	0	111.9	Y188 K192 S193 E196 W201	Y188-P190 HydrophobicContact CD1-CB 4.49Å; Y188-P190 HydrophobicContact CD1-CG 3.9Å; Y188-P190 HydrophobicContact CE1-CB 3.92Å; Y188-P190 HydrophobicContact CE1-CG 3.78Å; Y188-P190 WeakPolarHBondContact O-CD 3.25Å; P190-K192 PolarHBondContact O-N 3.03Å; P190-S193 PolarHBondContact O-N 2.79Å; P190-E196 HydrophobicContact CB-CG 4.14Å; P190-E196 WeakPolarHBondContact O-CG 3.33Å; P190-W201 HydrophobicContact CB-CD2 4.18Å; P190-W201 HydrophobicContact CB-CE3 3.67Å; P190-W201 HydrophobicContact CB-CH2 4.1Å; P190-W201 HydrophobicContact CB-CZ3 3.63Å; P190-W201 HydrophobicContact CG-CE3 4.12Å; P190-W201 HydrophobicContact CG-CH2 3.72Å; P190-W201 HydrophobicContact CG-CZ2 4.46Å; P190-W201 HydrophobicContact CG-CZ3 3.52Å
191	A	71	Confident	67.9	Low	57 Å²	57	111 Å²	111	47%	0.471	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-59.3	-18.5	175.6	0	0	0	0	0	113.9	D189	D189-A191 PolarHBondContact O-N 3.06Å; D189-A191 VanDerWaalsContact O-N 3.12Å
192	K	71.2	Confident	68.4	Low	169 Å²	169	109.9 Å²	109.9	74%	0.735	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-101.4	-10.2	177.3	-63.1	176.5	-178.3	133.7	0	114	D189 P190 G194	D189-K192 HydrophobicContact CB-CD 4.22Å; D189-K192 HydrophobicContact CB-CG 4.5Å; D189-K192 PolarHBondContact O-N 3.3Å; D189-K192 WeakPolarHBondContact OD2-CD 3.41Å; D189-K192 WeakPolarHBondContact OD2-CE 3.32Å; D189-K192 IonicContact OD2-NZ 3.84Å; D189-K192 PolarHBondContact OD2-NZ 3.34Å; P190-K192 PolarHBondContact O-N 3.03Å; K192-G194 PolarHBondContact O-N 3.34Å
193	S	72.7	Confident	68.9	Low	32 Å²	32	112.4 Å²	112.4	22%	0.224	59%	0.59	C	S	.	*			trans	-80.2	111.8	-176.3	170.2	0	0	0	0	111.2	Y188 P190 R195 E196	Y188-S193 VanDerWaalsContact OH-CB 3.26Å; Y188-S193 WeakPolarHBondContact OH-CB 3.25Å; Y188-S193 PolarHBondContact OH-OG 3.3Å; P190-S193 PolarHBondContact O-N 2.79Å; S193-R195 PolarHBondContact O-N 3.3Å; S193-E196 PolarHBondContact O-N 3.37Å
194	G	74.5	Confident	69.4	Low	91 Å²	91	112.9 Å²	112.9	94%	0.938	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-5	176.7	0	0	0	0	0	114.9	K192	K192-G194 PolarHBondContact O-N 3.34Å
195	R	78.9	Confident	70.2	Confident	229 Å²	229	106.5 Å²	106.5	86%	0.864	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-0.3	174.5	-87.5	179.8	162.7	-171.3	-5.1	113.9	S193 L197	S193-R195 PolarHBondContact O-N 3.3Å; R195-L197 PolarHBondContact O-N 2.92Å
196	E	77.2	Confident	71.3	Confident	53 Å²	53	105.2 Å²	105.2	25%	0.248	58%	0.575	C	S	.	*			trans	-64.1	120.1	-179.7	-73.5	-50.9	146.6	0	0	113.1	Y188 P190 S193	Y188-E196 PolarHBondContact OH-OE1 2.9Å; P190-E196 HydrophobicContact CB-CG 4.14Å; P190-E196 WeakPolarHBondContact O-CG 3.33Å; S193-E196 PolarHBondContact O-N 3.37Å
197	L	78.7	Confident	72.2	Confident	170 Å²	170	98.2 Å²	98.2	89%	0.89	54%	0.54	S	S	*	.			trans	-82	-14.6	178.1	-78.7	160.1	0	0	0	113	R195 P199	R195-L197 PolarHBondContact O-N 2.92Å; L197-P199 WeakPolarHBondContact O-CD 3.3Å
198	N	76.3	Confident	72.8	Confident	52 Å²	52	99.7 Å²	99.7	28%	0.278	53%	0.534	S	S	.	.			trans	-87.6	112.6	-178.6	-175.3	-13.3	0	0	0	110.9	Y200 W201 G207	N198-Y200 PolarHBondContact O-N 3.3Å; N198-Y200 WeakPolarHBondContact OD1-CD2 3.38Å; N198-Y200 PolarHBondContact OD1-N 3.03Å; N198-W201 VanDerWaalsContact CG-CD1 3.45Å; N198-W201 VanDerWaalsContact ND2-CD1 3.34Å; N198-W201 PolarHBondContact ND2-NE1 3.08Å; N198-W201 PolarHBondContact O-N 3.04Å; N198-G207 PolarHBondContact ND2-O 2.93Å; N198-G207 VanDerWaalsContact ND2-O 3.11Å
199	P	76.8	Confident	72.7	Confident	82 Å²	82	95.7 Å²	95.7	53%	0.532	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-64.7	-23.8	-176.6	26.6	-34.8	0	0	0	113.5	L197 W201 K202	L197-P199 WeakPolarHBondContact O-CD 3.3Å; P199-W201 VanDerWaalsContact C-N 3.26Å; P199-W201 PolarHBondContact O-N 2.79Å; P199-K202 PolarHBondContact O-N 3.48Å
200	Y	76.5	Confident	72.7	Confident	112 Å²	112	96 Å²	96	44%	0.439	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-81.1	3.3	-177.4	-53.8	-70.8	0	0	0	114.5	N198 G205 G207 P209	N198-Y200 PolarHBondContact O-N 3.3Å; N198-Y200 WeakPolarHBondContact OD1-CD2 3.38Å; N198-Y200 PolarHBondContact OD1-N 3.03Å; Y200-G205 CarbonylContact O-C 3.55Å; Y200-G205 WeakPolarHBondContact O-CA 3.31Å; Y200-G207 WeakPolarHBondContact O-CA 3.45Å; Y200-G207 PolarHBondContact O-N 3.49Å; Y200-P209 HydrophobicContact CD1-CB 4.3Å; Y200-P209 HydrophobicContact CD2-CG 4.15Å; Y200-P209 HydrophobicContact CE1-CB 3.75Å; Y200-P209 HydrophobicContact CE1-CG 4.17Å; Y200-P209 HydrophobicContact CE2-CB 4.18Å; Y200-P209 HydrophobicContact CE2-CG 3.66Å
201	W	75	Confident	72.3	Confident	87 Å²	87	103.8 Å²	103.8	33%	0.33	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-93.1	-18.3	167.8	-74.7	74.8	0	0	0	112.8	P190 N198 P199 G207	P190-W201 HydrophobicContact CB-CD2 4.18Å; P190-W201 HydrophobicContact CB-CE3 3.67Å; P190-W201 HydrophobicContact CB-CH2 4.1Å; P190-W201 HydrophobicContact CB-CZ3 3.63Å; P190-W201 HydrophobicContact CG-CE3 4.12Å; P190-W201 HydrophobicContact CG-CH2 3.72Å; P190-W201 HydrophobicContact CG-CZ2 4.46Å; P190-W201 HydrophobicContact CG-CZ3 3.52Å; N198-W201 VanDerWaalsContact CG-CD1 3.45Å; N198-W201 VanDerWaalsContact ND2-CD1 3.34Å; N198-W201 PolarHBondContact ND2-NE1 3.08Å; N198-W201 PolarHBondContact O-N 3.04Å; P199-W201 VanDerWaalsContact C-N 3.26Å; P199-W201 PolarHBondContact O-N 2.79Å; W201-G207 VanDerWaalsContact NE1-CA 3.27Å
202	K	66	Low	71.5	Confident	144 Å²	144	109.8 Å²	109.8	63%	0.626	60%	0.596	S	S	*	*	S	Bend	trans	-67.4	147.7	174.5	-57.6	-173.6	179.6	-174.5	0	108.9	P199	P199-K202 PolarHBondContact O-N 3.48Å
203	S	62.9	Low	70.9	Confident	119 Å²	119	110.4 Å²	110.4	83%	0.832	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	53.3	-178.1	53.8	0	0	0	0	115.2	G205	S203-G205 PolarHBondContact O-N 3.43Å
204	N	65.3	Low	70.1	Confident	164 Å²	164	114.4 Å²	114.4	88%	0.877	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.5	27	176.2	-60.4	19	0	0	0	114.1
205	G	68.5	Low	68.9	Low	31 Å²	31	119.3 Å²	119.3	32%	0.32	62%	0.623	S	S	.	*			trans	-74.4	156	-178.6	0	0	0	0	0	112.9	Y200 S203 G207	Y200-G205 CarbonylContact O-C 3.55Å; Y200-G205 WeakPolarHBondContact O-CA 3.31Å; S203-G205 PolarHBondContact O-N 3.43Å; G205-G207 PolarHBondContact O-N 2.86Å; G205-G207 VanDerWaalsContact O-N 3.13Å
206	T	77.4	Confident	67.3	Low	118 Å²	118	115.1 Å²	115.1	72%	0.724	62%	0.617	S	S	*	*			trans	-78.9	13.2	-176	54.5	0	0	0	0	114.1	L208	T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 VanDerWaalsContact O-N 3.17Å
207	G	76.6	Confident	65.6	Low	11 Å²	11	119.4 Å²	119.4	11%	0.113	64%	0.642	C	S	.	*	S	Bend	trans	69.4	4	-173.8	0	0	0	0	0	115.1	N198 Y200 W201 G205	N198-G207 PolarHBondContact ND2-O 2.93Å; N198-G207 VanDerWaalsContact ND2-O 3.11Å; Y200-G207 WeakPolarHBondContact O-CA 3.45Å; Y200-G207 PolarHBondContact O-N 3.49Å; W201-G207 VanDerWaalsContact NE1-CA 3.27Å; G205-G207 PolarHBondContact O-N 2.86Å; G205-G207 VanDerWaalsContact O-N 3.13Å
208	L	76.2	Confident	63.8	Low	122 Å²	122	118.8 Å²	118.8	64%	0.639	64%	0.639	S	S	*	*	S	Bend	trans	-126.5	141.2	-175.9	-70.7	163.7	0	0	0	110.4	T206	T206-L208 PolarHBondContact O-N 3.18Å; T206-L208 VanDerWaalsContact O-N 3.17Å
209	P	70.1	Confident	62.2	Low	75 Å²	75	123.5 Å²	123.5	49%	0.487	66%	0.66	S	S	.	*			trans	-60.4	138.8	170.4	-4.8	11	0	0	0	111.4	Y200 F211	Y200-P209 HydrophobicContact CD1-CB 4.3Å; Y200-P209 HydrophobicContact CD2-CG 4.15Å; Y200-P209 HydrophobicContact CE1-CB 3.75Å; Y200-P209 HydrophobicContact CE1-CG 4.17Å; Y200-P209 HydrophobicContact CE2-CB 4.18Å; Y200-P209 HydrophobicContact CE2-CG 3.66Å; P209-F211 PolarHBondContact O-N 2.85Å
210	G	66.9	Low	60.4	Low	71 Å²	71	129.6 Å²	129.6	73%	0.732	67%	0.672	S	S	*	*			trans	-62	126.8	174.4	0	0	0	0	0	111.6	Q212	G210-Q212 PolarHBondContact O-N 3.16Å
211	F	59.8	Low	58.6	Low	190 Å²	190	133.3 Å²	133.3	83%	0.833	69%	0.694	S	S	*	*			trans	-71.4	93.2	-179.5	-170.3	-88.3	0	0	0	111	P209 K213	P209-F211 PolarHBondContact O-N 2.85Å; F211-K213 HydrophobicContact CE1-CG 4.5Å; F211-K213 PolarHBondContact O-N 3.39Å
212	Q	54.9	Low	56.8	Low	183 Å²	183	133.6 Å²	133.6	86%	0.855	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-70	126.6	167.3	-75.6	-171.4	-16	0	0	109.9	G210	G210-Q212 PolarHBondContact O-N 3.16Å
213	K	57.4	Low	55.6	Low	183 Å²	183	136.9 Å²	136.9	80%	0.796	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-72	132.4	165.7	-99.9	179	169.7	-176.5	0	108.5	F211 Q215	F211-K213 HydrophobicContact CE1-CG 4.5Å; F211-K213 PolarHBondContact O-N 3.39Å; K213-Q215 PolarHBondContact O-N 2.92Å
214	P	55.4	Low	54.3	Low	116 Å²	116	136.3 Å²	136.3	75%	0.753	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.7	131.3	166.5	-23.2	34.1	0	0	0	110.4
215	Q	50.1	Low	53.2	Low	194 Å²	194	138.2 Å²	138.2	91%	0.907	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85.1	141.1	159.9	-105	177.6	-91.7	0	0	108.2	K213	K213-Q215 PolarHBondContact O-N 2.92Å
216	D	46.1	Very low	51.7	Low	140 Å²	140	142.1 Å²	142.1	75%	0.749	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-83.2	152.4	172	-64.9	-55.3	0	0	0	110.4
217	D	40.8	Very low	50	Low	144 Å²	144	141.7 Å²	141.7	77%	0.77	75%	0.75	S	S	*	*			trans	81.1	115.6	163.5	-54.7	-28.4	0	0	0	121.9
218	D	40.4	Very low	48.2	Very low	156 Å²	156	146.3 Å²	146.3	83%	0.834	78%	0.78	S	S	*	*			trans	82.2	142.7	140.8	-72.4	-43.2	0	0	0	125.3
219	E	42.9	Very low	46.4	Very low	152 Å²	152	146 Å²	146	71%	0.71	79%	0.789	S	S	*	*			trans	79.7	133	171.6	-62.5	-140.6	150	0	0	121.9
220	R	38.5	Very low	44.9	Very low	209 Å²	209	147.1 Å²	147.1	79%	0.789	80%	0.804	S	S	*	*			trans	88.8	86.7	156.8	-67.7	156.2	-163.6	-97.1	-6	120.5
221	Q	38.9	Very low	43.6	Very low	191 Å²	191	153.5 Å²	153.5	89%	0.893	82%	0.815	S	S	*	*				30.7	116.1	118.3	-56.6	179.3	9.1	0	0	118.8
222	A	38.7	Very low	42.7	Very low	93 Å²	93	147.6 Å²	147.6	77%	0.769	81%	0.807	S	S	*	*				168.6	110.9	103	0	0	0	0	0	115.6
223	K	39.6	Very low	41.9	Very low	212 Å²	212	144.3 Å²	144.3	92%	0.922	81%	0.805	S	S	*	*			trans	65.9	149.8	148.5	-64.5	-176.3	177.9	178.5	0	121.7
224	P	36.8	Very low	41.3	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	81%	0.806	S	S	*	*			trans	-124	164.2	-166.7	41.9	-26.7	0	0	0	115.6
225	H	41	Very low	40.9	Very low	203 Å²	203	146.5 Å²	146.5	94%	0.94	81%	0.811	S	S	*	*			trans	-134.1	154.4	159.9	-69.9	-68.7	0	0	0	112
226	S	37.5	Very low	40.6	Very low	113 Å²	113	140 Å²	140	79%	0.79	80%	0.796	S	S	*	*			trans	-112.9	140.6	-157.9	54	0	0	0	0	114.5
227	S	40.6	Very low	40.5	Very low	109 Å²	109	145 Å²	145	76%	0.762	81%	0.805	S	S	*	*			trans	-170	112.1	141.8	56.3	0	0	0	0	113.9
228	S	40.7	Very low	40.7	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	81%	0.811	S	S	*	*			trans	29.1	129.5	141	58.4	0	0	0	0	123.3
229	S	38	Very low	40.9	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	80%	0.802	S	S	*	*			trans	107.6	144.9	131.5	81.4	0	0	0	0	120.9
230	A	38.8	Very low	41.4	Very low	97 Å²	97	148.1 Å²	148.1	80%	0.802	81%	0.808	S	S	*	*			trans	60	80	165.2	0	0	0	0	0	119.6	G232	A230-G232 PolarHBondContact O-N 3.48Å; A230-G232 VanDerWaalsContact O-N 3.15Å
231	Q	38.2	Very low	41.8	Very low	206 Å²	206	141.7 Å²	141.7	96%	0.963	81%	0.807	S	S	*	*			trans	-76.7	92.9	162.5	-76.3	-172.6	-24.6	0	0	112.5
232	G	40.7	Very low	41.7	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	81%	0.806	S	S	*	*			trans	-82.5	113.8	158.4	0	0	0	0	0	110.6	A230 S234	A230-G232 PolarHBondContact O-N 3.48Å; A230-G232 VanDerWaalsContact O-N 3.15Å; G232-S234 PolarHBondContact O-N 3.41Å
233	S	39.4	Very low	41.9	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	81%	0.813	S	S	*	*			trans	-78.8	81.2	-172	174.8	0	0	0	0	114	R235	S233-R235 PolarHBondContact O-N 3.27Å
234	S	45.4	Very low	41.9	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	81%	0.806	S	S	*	*			trans	-86.5	83.4	161.3	54.8	0	0	0	0	111.2	G232	G232-S234 PolarHBondContact O-N 3.41Å
235	R	45.5	Very low	42.1	Very low	227 Å²	227	138.6 Å²	138.6	86%	0.857	81%	0.813	S	S	*	*			trans	-120.1	131.4	160	-71.9	-175.5	178.2	-170.1	0.6	108.6	S233	S233-R235 PolarHBondContact O-N 3.27Å
236	G	43.4	Very low	42.3	Very low	58 Å²	58	134.2 Å²	134.2	60%	0.598	81%	0.805	S	S	*	*			cis	158.3	119.3	1.5	0	0	0	0	0	109	R238	G236-R238 PolarHBondContact O-N 2.95Å
237	W	44.3	Very low	42.8	Very low	245 Å²	245	134.6 Å²	134.6	93%	0.928	80%	0.804	S	S	*	*			trans	-48.3	96	176.8	-67.8	27.7	0	0	0	111.7
238	R	45.3	Very low	42.8	Very low	236 Å²	236	135.6 Å²	135.6	89%	0.891	81%	0.809	S	S	*	*			trans	-133.6	126.3	173.5	-74.1	-169.6	173.1	-115.6	-1.7	110	G236	G236-R238 PolarHBondContact O-N 2.95Å
239	K	44.3	Very low	42.7	Very low	152 Å²	152	142.5 Å²	142.5	66%	0.661	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-84.7	139.1	172.7	-66.4	169.5	-174.2	140.9	0	109.5	R117	R117-K239 VanDerWaalsContact CZ-NZ 3.31Å; R117-K239 VanDerWaalsContact NH2-NZ 3.14Å
240	P	53.9	Low	42.8	Very low	128 Å²	128	148.5 Å²	148.5	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.7	144.8	160.8	-16.9	31.6	0	0	0	111.1
241	G	46.6	Very low	42.6	Very low	74 Å²	74	149.4 Å²	149.4	76%	0.763	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.7	169.7	177.2	0	0	0	0	0	114.2
242	A	36.8	Very low	42.6	Very low	105 Å²	105	151.4 Å²	151.4	87%	0.868	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.4	149	-176.3	0	0	0	0	0	113.4
243	K	42.9	Very low	42.5	Very low	211 Å²	211	154.1 Å²	154.1	92%	0.917	83%	0.831	S	S	*	*			trans	-125.9	151	158	-74.7	-166.9	174.4	-172.8	0	109.8
244	A	40.8	Very low	42.5	Very low	95 Å²	95	160.7 Å²	160.7	79%	0.785	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.8	156.7	-163.2	0	0	0	0	0	114.8
245	P	40.5	Very low	42.3	Very low	129 Å²	129	159.4 Å²	159.4	84%	0.838	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.2	133.2	175.5	33.3	-32.8	0	0	0	112.6
246	S	44.5	Very low	41.9	Very low	111 Å²	111	157.8 Å²	157.8	78%	0.776	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-81.3	156.5	170.4	45.2	0	0	0	0	112.3
247	P	48.4	Very low	41.5	Very low	120 Å²	120	159.9 Å²	159.9	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79	156.2	-166.9	31.1	-36.4	0	0	0	114.5
248	P	40.2	Very low	41.1	Very low	131 Å²	131	152.2 Å²	152.2	85%	0.851	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.2	130.1	-177.2	31.6	-34.3	0	0	0	112.4
249	R	39.3	Very low	40.5	Very low	253 Å²	253	147.4 Å²	147.4	96%	0.955	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.9	130.7	178.4	-147.6	173.2	-171.9	-127.8	4.5	111.1
250	R	38.8	Very low	40	Very low	242 Å²	242	144.7 Å²	144.7	91%	0.913	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-56.6	142.3	-179.1	-101.5	174	159.1	-171.3	-6.2	113
251	S	35.9	Very low	39.1	Very low	116 Å²	116	143 Å²	143	81%	0.811	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.8	162.5	45.2	0	0	0	0	111.4
252	R	38.9	Very low	38.5	Very low	249 Å²	249	145.7 Å²	145.7	94%	0.94	81%	0.808	S	S	*	*			trans	-137.8	119.7	159.2	-114.8	-177.8	170.9	-179	-4	108.5
253	S	37.5	Very low	38.4	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	81%	0.805	S	S	*	*			trans	-77.1	139	172.2	38.2	0	0	0	0	110.3
254	R	40	Very low	37.9	Very low	251 Å²	251	147.7 Å²	147.7	95%	0.947	80%	0.802	S	S	*	*			trans	-152.3	140.5	149.2	-155.9	166.8	173.6	-173.1	-4.7	108.8
255	S	39.8	Very low	37.7	Very low	92 Å²	92	151.3 Å²	151.3	64%	0.643	80%	0.803	S	S	*	*			trans	-112.6	165.4	-167.7	51.3	0	0	0	0	111.7
256	K	37.6	Very low	37.5	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	80%	0.804	S	S	*	*			trans	70.8	149.5	167.7	-58	178.1	178.7	-176	0	115.3
257	S	36.1	Very low	36.8	Very low	102 Å²	102	157.2 Å²	157.2	71%	0.713	81%	0.807	S	S	*	*			cis	-178.2	162.9	-20.5	48.6	0	0	0	0	108.9
258	A	35.6	Very low	36.3	Very low	83 Å²	83	156.3 Å²	156.3	69%	0.686	81%	0.81	S	S	*	*			trans	70.7	126.9	169.6	0	0	0	0	0	116
259	T	32.6	Very low	35.9	Very low	136 Å²	136	156.4 Å²	156.4	83%	0.834	81%	0.808	S	S	*	*				54.1	138.2	76.6	34.2	0	0	0	0	113.9
260	S	33.8	Very low	35.7	Very low	94 Å²	94	153.3 Å²	153.3	66%	0.657	80%	0.804	S	S	*	*			cis	-167.4	168.3	3.9	40.4	0	0	0	0	109.3
261	S	34.7	Very low	35.5	Very low	93 Å²	93	150.5 Å²	150.5	65%	0.65	80%	0.801	S	S	*	*			trans	66.3	158.5	152.7	-65.6	0	0	0	0	118.7
262	D	33.3	Very low	35.5	Very low	130 Å²	130	151.2 Å²	151.2	70%	0.695	80%	0.803	S	S	*	*			cis	-154.3	155.7	-27.9	-92.7	-33.3	0	0	0	107.9
263	E	34.6	Very low	35.3	Very low	173 Å²	173	148.8 Å²	148.8	81%	0.808	80%	0.799	S	S	*	*			trans	31.9	157.5	141.6	-51.5	-165	136.7	0	0	124.9
264	E	33.9	Very low	35.2	Very low	185 Å²	185	148.7 Å²	148.7	86%	0.864	80%	0.798	S	S	*	*			trans	76.9	138.4	172.5	-63.2	177.8	170.7	0	0	117.8
265	E	35.8	Very low	35.1	Very low	171 Å²	171	146 Å²	146	80%	0.799	79%	0.788	S	S	*	*			cis	-159.9	-161.5	-25.4	-136.6	-148.5	139.8	0	0	113.1
266	E	36.6	Very low	35.3	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	79%	0.793	S	S	*	*			trans	86.7	140.8	161.2	-59.4	-139.6	131.9	0	0	123
267	E	30.6	Very low	36.5	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	79%	0.792	S	S	*	*			trans	-98.1	149.3	-163.7	-57.9	-176.9	105.9	0	0	115.1
268	A	36	Very low	38.3	Very low	101 Å²	101	139.7 Å²	139.7	84%	0.835	77%	0.766	S	S	*	*			trans	-153.4	110.2	151	0	0	0	0	0	112.1
269	V	33	Very low	40.3	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	75%	0.748	S	S	*	*			trans	-85.9	116.4	178.9	175.9	0	0	0	0	111.4
270	Q	35.7	Very low	42.7	Very low	188 Å²	188	132.8 Å²	132.8	88%	0.879	71%	0.713	S	S	*	*			trans	-137	148.1	161.3	-67.7	-165.9	13	0	0	112.1
271	Q	33	Very low	45.1	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	70%	0.699	S	S	*	*			trans	-76.4	148.9	-162.2	-62.3	179	-1.9	0	0	114.5	K273	Q271-K273 PolarHBondContact O-N 3.25Å
272	P	36.3	Very low	47.5	Very low	131 Å²	131	130.6 Å²	130.6	85%	0.851	68%	0.684	S	S	*	*			trans	-78.8	114.2	-177.1	31	-34.3	0	0	0	112.9
273	K	34.7	Very low	50.1	Low	199 Å²	199	128.4 Å²	128.4	87%	0.865	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-70.4	139	162	-68.7	176.6	179.5	174	0	109.8	Q271 R275	Q271-K273 PolarHBondContact O-N 3.25Å; K273-R275 PolarHBondContact O-N 2.95Å
274	S	36.1	Very low	52.8	Low	120 Å²	120	120.6 Å²	120.6	84%	0.839	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-63.2	125.3	180	49.4	0	0	0	0	112.4
275	R	36.8	Very low	55.4	Low	194 Å²	194	116.7 Å²	116.7	73%	0.732	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-82.2	139.2	170.2	-65.3	-171.9	-175.3	-163.2	-1.5	110.6	K273 E325	K273-R275 PolarHBondContact O-N 2.95Å; R275-E325 IonicContact CZ-OE1 2.71Å; R275-E325 IonicContact NH1-OE1 2.79Å; R275-E325 PolarHBondContact NH1-OE1 3.29Å
276	P	45.3	Very low	58.1	Low	116 Å²	116	113.8 Å²	113.8	75%	0.753	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.6	177.4	29.1	-34.3	0	0	0	111.5
277	S	62.6	Low	60.8	Low	117 Å²	117	106.2 Å²	106.2	82%	0.818	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-97.8	120.8	177.9	57.8	0	0	0	0	111.6
278	C	72.3	Confident	63.6	Low	23 Å²	23	98.4 Å²	98.4	16%	0.155	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-75.1	158	172.3	63.3	0	0	0	0	112.6	F320	C278-F320 HydrophobicContact CB-CB 4.22Å; C278-F320 HydrophobicContact CB-CD2 4.17Å; C278-F320 HydrophobicContact CB-CG 4.1Å; C278-F320 WeakPolarHBondContact SG-CD1 3.49Å; C278-F320 WeakPolarHBondContact SG-CG 3.37Å
279	L	79.4	Confident	66.3	Low	59 Å²	59	95.5 Å²	95.5	31%	0.309	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-71.4	145.7	178.8	-67.6	170.3	0	0	0	112.7	Q283 I284 L287 A313	L279-Q283 HydrophobicContact CB-CB 4.25Å; L279-Q283 HydrophobicContact CD2-CB 4.22Å; L279-I284 HydrophobicContact CB-CG1 4.17Å; L279-L287 HydrophobicContact CD1-CD1 4.08Å; L279-A313 HydrophobicContact CD1-CB 3.79Å
280	T	82.9	Confident	69.2	Low	15 Å²	15	94.1 Å²	94.1	9%	0.092	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-76.6	165.3	-180	68.3	0	0	0	0	113.2	E282 Q283 I284 A330	T280-E282 PolarHBondContact O-N 3.15Å; T280-Q283 PolarHBondContact O-N 2.88Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.5Å; T280-Q283 PolarHBondContact OG1-N 2.95Å; T280-Q283 PolarHBondContact OG1-OE1 3.35Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.43Å; T280-A330 HydrophobicContact CG2-CB 4.18Å
281	D	83.6	Confident	72	Confident	69 Å²	69	85.2 Å²	85.2	37%	0.369	46%	0.458	S	S	.	.	H	α-helix	trans	-49.7	-43.2	171.4	-93.8	-52.2	0	0	0	112.7	I284 N285 R317	D281-I284 PolarHBondContact O-N 2.68Å; D281-N285 WeakPolarHBondContact O-CB 3.33Å; D281-N285 PolarHBondContact O-N 3.15Å; D281-N285 PolarHBondContact O-ND2 3.13Å; D281-R317 IonicContact OD1-CZ 2.7Å; D281-R317 IonicContact OD1-NH1 3.55Å; D281-R317 PolarHBondContact OD1-NH1 3.23Å; D281-R317 IonicContact OD1-NH2 2.69Å; D281-R317 PolarHBondContact OD1-NH2 2.91Å; D281-R317 IonicContact OD2-CZ 3.35Å; D281-R317 IonicContact OD2-NH1 3.23Å; D281-R317 IonicContact OD2-NH2 2.68Å; D281-R317 PolarHBondContact OD2-NH2 3.19Å
282	E	84.7	Confident	74.9	Confident	72 Å²	72	81.1 Å²	81.1	34%	0.336	44%	0.441	S	S	.	.	H	α-helix	trans	-69.8	-41.7	-176.4	-67.9	168	177.8	0	0	111	T280 N285 E286 N331	T280-E282 PolarHBondContact O-N 3.15Å; E282-N285 PolarHBondContact O-N 3.47Å; E282-E286 WeakPolarHBondContact O-CG 3.23Å; E282-E286 PolarHBondContact O-N 3.03Å; E282-N331 WeakPolarHBondContact OE1-CB 3.29Å; E282-N331 PolarHBondContact OE1-ND2 3.44Å; E282-N331 PolarHBondContact OE2-ND2 3.04Å; E282-N331 VanDerWaalsContact OE2-ND2 3.12Å
283	Q	88.4	Confident	77.6	Confident	84 Å²	84	81.3 Å²	81.3	39%	0.393	43%	0.429	S	S	.	.	H	α-helix	trans	-65	-40	175.3	-70.6	169.4	-32.4	0	0	112.3	L279 T280 E286 L287	L279-Q283 HydrophobicContact CB-CB 4.25Å; L279-Q283 HydrophobicContact CD2-CB 4.22Å; T280-Q283 PolarHBondContact O-N 2.88Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.5Å; T280-Q283 PolarHBondContact OG1-N 2.95Å; T280-Q283 PolarHBondContact OG1-OE1 3.35Å; Q283-E286 PolarHBondContact O-N 3.04Å; Q283-L287 WeakPolarHBondContact O-CG 3.22Å; Q283-L287 PolarHBondContact O-N 3.23Å
284	I	90.3	Very high	80.5	Confident	9 Å²	9	72.2 Å²	72.2	5%	0.046	39%	0.39	C	S	.	.	H	α-helix	trans	-67.1	-38.8	174.9	-66.8	175.5	0	0	0	110.8	L279 T280 D281 L287 A288 L310 A313 R314 R317	L279-I284 HydrophobicContact CB-CG1 4.17Å; T280-I284 WeakPolarHBondContact O-CG1 3.37Å; T280-I284 PolarHBondContact O-N 3.43Å; D281-I284 PolarHBondContact O-N 2.68Å; I284-L287 PolarHBondContact O-N 3.32Å; I284-A288 WeakPolarHBondContact O-CB 3.46Å; I284-A288 PolarHBondContact O-N 3.13Å; I284-L310 HydrophobicContact CG2-CD2 4.16Å; I284-L310 WeakPolarHBondContact O-CD2 3.41Å; I284-A313 HydrophobicContact CD1-CB 4.48Å; I284-A313 HydrophobicContact CG1-CB 4.24Å; I284-R314 HydrophobicContact CG2-CG 4.34Å; I284-R317 HydrophobicContact CD1-CB 4.28Å; I284-R317 VanDerWaalsContact CD1-CD 3.49Å
285	N	90.1	Very high	83.2	Confident	102 Å²	102	72.5 Å²	72.5	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-68.6	-34.3	174.8	-72.4	-34.7	0	0	0	112.5	D281 E282 A288 G289	D281-N285 WeakPolarHBondContact O-CB 3.33Å; D281-N285 PolarHBondContact O-N 3.15Å; D281-N285 PolarHBondContact O-ND2 3.13Å; E282-N285 PolarHBondContact O-N 3.47Å; N285-A288 PolarHBondContact O-N 3.28Å; N285-G289 PolarHBondContact O-N 3.16Å
286	E	92	Very high	85.8	Confident	111 Å²	111	69.8 Å²	69.8	52%	0.519	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-43.3	171.9	-81.1	-172.1	-161.7	0	0	112.5	E282 Q283 A288 G289 K290	E282-E286 WeakPolarHBondContact O-CG 3.23Å; E282-E286 PolarHBondContact O-N 3.03Å; Q283-E286 PolarHBondContact O-N 3.04Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.88Å; E286-G289 PolarHBondContact O-N 2.94Å; E286-K290 WeakPolarHBondContact O-CB 3.34Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.39Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 IonicContact OE2-NZ 3.9Å
287	L	91.8	Very high	88.1	Confident	23 Å²	23	71.4 Å²	71.4	12%	0.12	37%	0.373	C	S	.	.	H	α-helix	trans	-60.1	-41.8	173.2	-72.8	173	0	0	0	110.7	L279 Q283 I284 G289 K290 A291 L306 L310	L279-L287 HydrophobicContact CD1-CD1 4.08Å; Q283-L287 WeakPolarHBondContact O-CG 3.22Å; Q283-L287 PolarHBondContact O-N 3.23Å; I284-L287 PolarHBondContact O-N 3.32Å; L287-G289 PolarHBondContact O-N 2.83Å; L287-K290 PolarHBondContact O-N 2.88Å; L287-A291 PolarHBondContact O-N 3.23Å; L287-L306 HydrophobicContact CD2-CD2 4.35Å; L287-L310 HydrophobicContact CB-CD2 3.64Å; L287-L310 HydrophobicContact CB-CG 3.88Å
288	A	91.4	Very high	89.4	Confident	19 Å²	19	68.5 Å²	68.5	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-42.9	175.3	0	0	0	0	0	112	I284 N285 E286 K290 A291 I292 L310	I284-A288 WeakPolarHBondContact O-CB 3.46Å; I284-A288 PolarHBondContact O-N 3.13Å; N285-A288 PolarHBondContact O-N 3.28Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.88Å; A288-K290 VanDerWaalsContact C-N 3.35Å; A288-K290 PolarHBondContact O-N 2.84Å; A288-A291 PolarHBondContact O-N 3.04Å; A288-I292 WeakPolarHBondContact O-CG1 3.49Å; A288-I292 PolarHBondContact O-N 3.4Å; A288-I292 VanDerWaalsContact O-N 3.08Å; A288-L310 HydrophobicContact CB-CD1 4.27Å; A288-L310 HydrophobicContact CB-CD2 4.09Å
289	G	91.7	Very high	90.4	Very high	40 Å²	40	73.7 Å²	73.7	41%	0.412	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-38.4	173	0	0	0	0	0	113.1	N285 E286 L287 K293	N285-G289 PolarHBondContact O-N 3.16Å; E286-G289 PolarHBondContact O-N 2.94Å; L287-G289 PolarHBondContact O-N 2.83Å; G289-K293 WeakPolarHBondContact O-CB 3.37Å; G289-K293 PolarHBondContact O-N 3.27Å
290	K	94.1	Very high	90.9	Very high	104 Å²	104	79.4 Å²	79.4	45%	0.452	40%	0.404	S	S	.	.	H	α-helix	trans	-68.2	-43.2	176.1	-71.1	164.1	-173.7	162.1	0	111.5	E286 L287 A288 K293 A294 L306	E286-K290 WeakPolarHBondContact O-CB 3.34Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.39Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 IonicContact OE2-NZ 3.9Å; L287-K290 PolarHBondContact O-N 2.88Å; A288-K290 VanDerWaalsContact C-N 3.35Å; A288-K290 PolarHBondContact O-N 2.84Å; K290-K293 PolarHBondContact O-N 3.41Å; K290-A294 WeakPolarHBondContact O-CB 3.32Å; K290-A294 PolarHBondContact O-N 3.34Å; K290-L306 HydrophobicContact CB-CD1 3.72Å
291	A	94.3	Very high	91.4	Very high	1 Å²	1	86.9 Å²	86.9	1%	0.008	44%	0.438	C	S	.	.	H	α-helix	trans	-61	-52.4	177.9	0	0	0	0	0	111.6	L287 A288 K293 A294 E295 L306 N307 L310	L287-A291 PolarHBondContact O-N 3.23Å; A288-A291 PolarHBondContact O-N 3.04Å; A291-K293 VanDerWaalsContact C-N 3.27Å; A291-K293 PolarHBondContact O-N 2.88Å; A291-A294 WeakPolarHBondContact O-CB 3.3Å; A291-A294 PolarHBondContact O-N 2.85Å; A291-E295 PolarHBondContact O-N 3.3Å; A291-L306 HydrophobicContact CB-CB 3.86Å; A291-N307 WeakPolarHBondContact CB-OD1 3.38Å; A291-L310 HydrophobicContact CB-CD1 3.66Å
292	I	92.9	Very high	91.9	Very high	96 Å²	96	87.1 Å²	87.1	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-59.6	-38.5	176.3	-65.3	166.9	0	0	0	111	A288 A294 E295 L296	A288-I292 WeakPolarHBondContact O-CG1 3.49Å; A288-I292 PolarHBondContact O-N 3.4Å; A288-I292 VanDerWaalsContact O-N 3.08Å; I292-A294 VanDerWaalsContact C-N 3.34Å; I292-E295 PolarHBondContact O-N 3.3Å; I292-L296 HydrophobicContact CG2-CD1 3.85Å; I292-L296 HydrophobicContact CG2-CG 4.32Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 VanDerWaalsContact O-CG 3.26Å; I292-L296 WeakPolarHBondContact O-CG 3.38Å; I292-L296 PolarHBondContact O-N 3Å
293	K	93.7	Very high	92.2	Very high	135 Å²	135	84 Å²	84	59%	0.587	43%	0.425	S	S	*	.	H	α-helix	trans	-70.5	-27.8	177.3	-171.6	175.9	-176.7	175.8	0	113.1	G289 K290 A291 K297	G289-K293 WeakPolarHBondContact O-CB 3.37Å; G289-K293 PolarHBondContact O-N 3.27Å; K290-K293 PolarHBondContact O-N 3.41Å; A291-K293 VanDerWaalsContact C-N 3.27Å; A291-K293 PolarHBondContact O-N 2.88Å; K293-K297 WeakPolarHBondContact O-CB 3.41Å; K293-K297 VanDerWaalsContact O-CG 3.28Å; K293-K297 WeakPolarHBondContact O-CG 3.18Å; K293-K297 PolarHBondContact O-N 2.97Å
294	A	95.1	Very high	92.5	Very high	7 Å²	7	82.3 Å²	82.3	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-73.7	-44.6	173.5	0	0	0	0	0	111.2	K290 A291 I292 K297 G298 K299 L302 A303 L306	K290-A294 WeakPolarHBondContact O-CB 3.32Å; K290-A294 PolarHBondContact O-N 3.34Å; A291-A294 WeakPolarHBondContact O-CB 3.3Å; A291-A294 PolarHBondContact O-N 2.85Å; I292-A294 VanDerWaalsContact C-N 3.34Å; A294-K297 CarbonylContact O-C 3.53Å; A294-K297 PolarHBondContact O-N 3.14Å; A294-K297 VanDerWaalsContact O-N 3.13Å; A294-G298 PolarHBondContact O-N 3.49Å; A294-K299 PolarHBondContact O-N 3.35Å; A294-L302 HydrophobicContact CB-CD2 3.45Å; A294-L302 VanDerWaalsContact CB-CD2 3.45Å; A294-A303 HydrophobicContact CB-CB 3.94Å; A294-L306 HydrophobicContact CB-CD1 4.34Å
295	E	93.1	Very high	92.7	Very high	127 Å²	127	87 Å²	87	59%	0.593	45%	0.447	S	S	*	.	H	α-helix	trans	-59.9	-50.6	175.5	-171.2	176	-159.5	0	0	111.5	A291 I292 K297 G298 A303	A291-E295 PolarHBondContact O-N 3.3Å; I292-E295 PolarHBondContact O-N 3.3Å; E295-K297 PolarHBondContact O-N 3.45Å; E295-K297 VanDerWaalsContact O-N 3.15Å; E295-G298 PolarHBondContact O-N 3.26Å; E295-A303 HydrophobicContact CB-CB 4.15Å
296	L	91.9	Very high	92.9	Very high	136 Å²	136	83.1 Å²	83.1	71%	0.712	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.2	174.7	-72.2	172.7	0	0	0	114.2	I292	I292-L296 HydrophobicContact CG2-CD1 3.85Å; I292-L296 HydrophobicContact CG2-CG 4.32Å; I292-L296 WeakPolarHBondContact O-CB 3.49Å; I292-L296 VanDerWaalsContact O-CG 3.26Å; I292-L296 WeakPolarHBondContact O-CG 3.38Å; I292-L296 PolarHBondContact O-N 3Å
297	K	93	Very high	92.9	Very high	150 Å²	150	81.2 Å²	81.2	65%	0.652	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	5.2	173.9	-78.6	-171.7	170.9	-155.8	0	113.3	K293 A294 E295 K299	K293-K297 WeakPolarHBondContact O-CB 3.41Å; K293-K297 VanDerWaalsContact O-CG 3.28Å; K293-K297 WeakPolarHBondContact O-CG 3.18Å; K293-K297 PolarHBondContact O-N 2.97Å; A294-K297 CarbonylContact O-C 3.53Å; A294-K297 PolarHBondContact O-N 3.14Å; A294-K297 VanDerWaalsContact O-N 3.13Å; E295-K297 PolarHBondContact O-N 3.45Å; E295-K297 VanDerWaalsContact O-N 3.15Å; K297-K299 PolarHBondContact O-N 3.16Å
298	G	90.2	Very high	93	Very high	57 Å²	57	86.6 Å²	86.6	59%	0.588	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	7	-179.5	0	0	0	0	0	115.1	A294 E295 K300	A294-G298 PolarHBondContact O-N 3.49Å; E295-G298 PolarHBondContact O-N 3.26Å; G298-K300 VanDerWaalsContact C-N 3.31Å; G298-K300 PolarHBondContact O-N 3.34Å
299	K	93.3	Very high	93.1	Very high	132 Å²	132	89.5 Å²	89.5	57%	0.574	46%	0.455	S	S	*	.			trans	-84	72.2	-179.8	-66.8	-164	173.2	-160.8	0	110.7	A294 K297 E301 L302 A303	A294-K299 PolarHBondContact O-N 3.35Å; K297-K299 PolarHBondContact O-N 3.16Å; K299-E301 PolarHBondContact O-N 3.12Å; K299-L302 HydrophobicContact CB-CB 4.25Å; K299-L302 PolarHBondContact O-N 2.99Å; K299-A303 WeakPolarHBondContact O-CB 3.38Å; K299-A303 PolarHBondContact O-N 2.78Å
300	K	91.1	Very high	93.2	Very high	178 Å²	178	88 Å²	88	77%	0.774	44%	0.437	S	S	*	.	H	α-helix	trans	-55.7	-44.1	-171.7	-66.8	-174.3	178.5	-177.9	0	114	G298 A303 A304	G298-K300 VanDerWaalsContact C-N 3.31Å; G298-K300 PolarHBondContact O-N 3.34Å; K300-A303 PolarHBondContact O-N 2.91Å; K300-A304 PolarHBondContact O-N 2.8Å
301	E	93.1	Very high	93.1	Very high	173 Å²	173	88.3 Å²	88.3	81%	0.808	44%	0.44	S	S	*	.	H	α-helix	trans	-62.3	-50	180	-64.7	171	171.4	0	0	111.9	K299 A303 A304 E305	K299-E301 PolarHBondContact O-N 3.12Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 3.25Å; E301-A304 WeakPolarHBondContact O-CB 3.24Å; E301-A304 PolarHBondContact O-N 2.97Å; E301-A304 VanDerWaalsContact O-N 3.1Å; E301-E305 PolarHBondContact O-N 3.09Å
302	L	92.8	Very high	93	Very high	74 Å²	74	90.4 Å²	90.4	39%	0.387	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-33.7	177.9	-168.3	153.2	0	0	0	111.6	A294 K299 L306	A294-L302 HydrophobicContact CB-CD2 3.45Å; A294-L302 VanDerWaalsContact CB-CD2 3.45Å; K299-L302 HydrophobicContact CB-CB 4.25Å; K299-L302 PolarHBondContact O-N 2.99Å; L302-L306 HydrophobicContact CD2-CD1 3.52Å; L302-L306 HydrophobicContact CD2-CG 4.07Å; L302-L306 WeakPolarHBondContact O-CB 3.34Å; L302-L306 VanDerWaalsContact O-CG 3.31Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.89Å
303	A	92.4	Very high	92.9	Very high	6 Å²	6	86 Å²	86	5%	0.05	44%	0.436	C	S	.	.	H	α-helix	trans	-66	-40	172.1	0	0	0	0	0	112	A294 E295 K299 K300 E301 N307	A294-A303 HydrophobicContact CB-CB 3.94Å; E295-A303 HydrophobicContact CB-CB 4.15Å; K299-A303 WeakPolarHBondContact O-CB 3.38Å; K299-A303 PolarHBondContact O-N 2.78Å; K300-A303 PolarHBondContact O-N 2.91Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 3.25Å; A303-N307 VanDerWaalsContact O-CB 3.31Å; A303-N307 WeakPolarHBondContact O-CB 3.36Å; A303-N307 VanDerWaalsContact O-CG 3.25Å; A303-N307 PolarHBondContact O-N 3.32Å; A303-N307 PolarHBondContact O-ND2 3.07Å
304	A	93.9	Very high	92.7	Very high	49 Å²	49	86.5 Å²	86.5	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-44.5	175	0	0	0	0	0	111.9	K300 E301 N307 Q308	K300-A304 PolarHBondContact O-N 2.8Å; E301-A304 WeakPolarHBondContact O-CB 3.24Å; E301-A304 PolarHBondContact O-N 2.97Å; E301-A304 VanDerWaalsContact O-N 3.1Å; A304-N307 PolarHBondContact O-N 3.46Å; A304-Q308 WeakPolarHBondContact O-CG 3.4Å; A304-Q308 PolarHBondContact O-N 2.93Å
305	E	94.7	Very high	92.5	Very high	106 Å²	106	92 Å²	92	50%	0.495	46%	0.457	S	S	.	.	H	α-helix	trans	-60.3	-48	175.9	-167	-165.5	162	0	0	111.7	E301 N307 Q308 Q309	E301-E305 PolarHBondContact O-N 3.09Å; E305-N307 VanDerWaalsContact C-N 3.31Å; E305-N307 PolarHBondContact O-N 3.08Å; E305-Q308 PolarHBondContact O-N 3.05Å; E305-Q309 WeakPolarHBondContact O-CG 3.26Å; E305-Q309 PolarHBondContact O-N 3.16Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å
306	L	94.6	Very high	92.2	Very high	22 Å²	22	91 Å²	91	12%	0.115	45%	0.452	C	S	.	.	H	α-helix	trans	-65.4	-32	176.9	-71.5	179.1	0	0	0	113	L287 K290 A291 A294 L302 L310	L287-L306 HydrophobicContact CD2-CD2 4.35Å; K290-L306 HydrophobicContact CB-CD1 3.72Å; A291-L306 HydrophobicContact CB-CB 3.86Å; A294-L306 HydrophobicContact CB-CD1 4.34Å; L302-L306 HydrophobicContact CD2-CD1 3.52Å; L302-L306 HydrophobicContact CD2-CG 4.07Å; L302-L306 WeakPolarHBondContact O-CB 3.34Å; L302-L306 VanDerWaalsContact O-CG 3.31Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.89Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.93Å
307	N	92.2	Very high	91.9	Very high	70 Å²	70	86.3 Å²	86.3	37%	0.374	42%	0.424	S	S	.	.	H	α-helix	trans	-69.5	-39	173.4	-79	-27.9	0	0	0	111.9	A291 A303 A304 E305 L310 E311	A291-N307 WeakPolarHBondContact CB-OD1 3.38Å; A303-N307 VanDerWaalsContact O-CB 3.31Å; A303-N307 WeakPolarHBondContact O-CB 3.36Å; A303-N307 VanDerWaalsContact O-CG 3.25Å; A303-N307 PolarHBondContact O-N 3.32Å; A303-N307 PolarHBondContact O-ND2 3.07Å; A304-N307 PolarHBondContact O-N 3.46Å; E305-N307 VanDerWaalsContact C-N 3.31Å; E305-N307 PolarHBondContact O-N 3.08Å; N307-L310 WeakPolarHBondContact O-CB 3.38Å; N307-L310 PolarHBondContact O-N 3.4Å; N307-E311 PolarHBondContact O-N 3.49Å
308	Q	94.7	Very high	91.5	Very high	137 Å²	137	82 Å²	82	64%	0.64	42%	0.417	S	S	*	.	H	α-helix	trans	-63	-44	171.9	-70.9	176.5	6.3	0	0	111.7	A304 E305 L310 E311 A312	A304-Q308 WeakPolarHBondContact O-CG 3.4Å; A304-Q308 PolarHBondContact O-N 2.93Å; E305-Q308 PolarHBondContact O-N 3.05Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.44Å; Q308-E311 PolarHBondContact O-N 2.88Å; Q308-A312 PolarHBondContact O-N 3.28Å
309	Q	93.4	Very high	91.3	Very high	80 Å²	80	85.5 Å²	85.5	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-37.6	174.1	-69.1	176.5	15.1	0	0	112.1	E305 A313	E305-Q309 WeakPolarHBondContact O-CG 3.26Å; E305-Q309 PolarHBondContact O-N 3.16Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å; Q309-A313 VanDerWaalsContact O-CB 3.27Å; Q309-A313 WeakPolarHBondContact O-CB 3.47Å; Q309-A313 PolarHBondContact O-N 2.98Å
310	L	92.4	Very high	90.9	Very high	7 Å²	7	81 Å²	81	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-65.6	-40.8	174.1	-86.8	162.4	0	0	0	113.5	I284 L287 A288 A291 L306 N307 Q308 R314	I284-L310 HydrophobicContact CG2-CD2 4.16Å; I284-L310 WeakPolarHBondContact O-CD2 3.41Å; L287-L310 HydrophobicContact CB-CD2 3.64Å; L287-L310 HydrophobicContact CB-CG 3.88Å; A288-L310 HydrophobicContact CB-CD1 4.27Å; A288-L310 HydrophobicContact CB-CD2 4.09Å; A291-L310 HydrophobicContact CB-CD1 3.66Å; L306-L310 WeakPolarHBondContact O-CB 3.48Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.93Å; N307-L310 WeakPolarHBondContact O-CB 3.38Å; N307-L310 PolarHBondContact O-N 3.4Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.44Å; L310-R314 VanDerWaalsContact O-CB 3.29Å; L310-R314 WeakPolarHBondContact O-CB 3.33Å; L310-R314 WeakPolarHBondContact O-CD 3.3Å; L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 2.95Å
311	E	92	Very high	90.4	Very high	112 Å²	112	77.2 Å²	77.2	52%	0.523	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-42	176.2	-74.3	-169.5	-179.2	0	0	111.7	N307 Q308 R314 K315	N307-E311 PolarHBondContact O-N 3.49Å; Q308-E311 PolarHBondContact O-N 2.88Å; E311-R314 PolarHBondContact O-N 2.81Å; E311-K315 WeakPolarHBondContact O-CB 3.32Å; E311-K315 VanDerWaalsContact O-CG 3.32Å; E311-K315 WeakPolarHBondContact O-CG 3.4Å; E311-K315 PolarHBondContact O-N 3.35Å
312	A	92.8	Very high	89.9	Confident	44 Å²	44	73.1 Å²	73.1	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-59.2	-53.7	173.2	0	0	0	0	0	111.4	Q308 R314 K315 E316	Q308-A312 PolarHBondContact O-N 3.28Å; A312-R314 VanDerWaalsContact C-N 3.25Å; A312-R314 PolarHBondContact O-N 3.37Å; A312-K315 PolarHBondContact O-N 3.27Å; A312-E316 PolarHBondContact O-N 2.92Å
313	A	90.9	Very high	89.3	Confident	5 Å²	5	73.4 Å²	73.4	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-59.6	-32.8	178.6	0	0	0	0	0	113.4	L279 I284 Q309 R317	L279-A313 HydrophobicContact CD1-CB 3.79Å; I284-A313 HydrophobicContact CD1-CB 4.48Å; I284-A313 HydrophobicContact CG1-CB 4.24Å; Q309-A313 VanDerWaalsContact O-CB 3.27Å; Q309-A313 WeakPolarHBondContact O-CB 3.47Å; Q309-A313 PolarHBondContact O-N 2.98Å; A313-R317 WeakPolarHBondContact O-CB 3.41Å; A313-R317 PolarHBondContact O-N 3.03Å
314	R	89.7	Confident	88.4	Confident	144 Å²	144	76.3 Å²	76.3	54%	0.543	42%	0.421	S	S	.	.	H	α-helix	trans	-74	-36.2	174.2	-76.9	171.9	176.5	175.1	2.3	112.7	I284 L310 E311 A312 A318	I284-R314 HydrophobicContact CG2-CG 4.34Å; L310-R314 VanDerWaalsContact O-CB 3.29Å; L310-R314 WeakPolarHBondContact O-CB 3.33Å; L310-R314 WeakPolarHBondContact O-CD 3.3Å; L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 2.95Å; E311-R314 PolarHBondContact O-N 2.81Å; A312-R314 VanDerWaalsContact C-N 3.25Å; A312-R314 PolarHBondContact O-N 3.37Å; R314-A318 WeakPolarHBondContact O-CB 3.41Å; R314-A318 PolarHBondContact O-N 2.93Å
315	K	89.8	Confident	87.3	Confident	124 Å²	124	77.3 Å²	77.3	54%	0.539	42%	0.417	S	S	.	.	H	α-helix	trans	-67.5	-54.2	174.9	-74.6	170.8	-177.5	171.7	0	110.9	E311 A312 R317 A318 E319	E311-K315 WeakPolarHBondContact O-CB 3.32Å; E311-K315 VanDerWaalsContact O-CG 3.32Å; E311-K315 WeakPolarHBondContact O-CG 3.4Å; E311-K315 PolarHBondContact O-N 3.35Å; A312-K315 PolarHBondContact O-N 3.27Å; K315-R317 PolarHBondContact O-N 2.98Å; K315-R317 VanDerWaalsContact O-N 3.16Å; K315-A318 WeakPolarHBondContact O-CB 3.32Å; K315-A318 PolarHBondContact O-N 2.98Å; K315-E319 WeakPolarHBondContact O-CG 3.45Å; K315-E319 PolarHBondContact O-N 2.92Å
316	E	87.9	Confident	85.8	Confident	104 Å²	104	77.5 Å²	77.5	49%	0.486	43%	0.43	S	S	.	.	H	α-helix	trans	-52	-41.4	175.6	-71.9	178.2	-179.2	0	0	111.9	A312 E319 F320	A312-E316 PolarHBondContact O-N 2.92Å; E316-E319 PolarHBondContact O-N 3Å; E316-F320 VanDerWaalsContact O-CB 3.31Å; E316-F320 WeakPolarHBondContact O-CB 3.14Å; E316-F320 PolarHBondContact O-N 2.9Å
317	R	84.2	Confident	84.1	Confident	38 Å²	38	77.9 Å²	77.9	14%	0.143	43%	0.433	C	S	.	.	H	α-helix	trans	-75.3	-33.2	178.8	-171.6	169.7	176.1	-148.1	-5.1	113.6	D281 I284 A313 K315 E319 I321	D281-R317 IonicContact OD1-CZ 2.7Å; D281-R317 IonicContact OD1-NH1 3.55Å; D281-R317 PolarHBondContact OD1-NH1 3.23Å; D281-R317 IonicContact OD1-NH2 2.69Å; D281-R317 PolarHBondContact OD1-NH2 2.91Å; D281-R317 IonicContact OD2-CZ 3.35Å; D281-R317 IonicContact OD2-NH1 3.23Å; D281-R317 IonicContact OD2-NH2 2.68Å; D281-R317 PolarHBondContact OD2-NH2 3.19Å; I284-R317 HydrophobicContact CD1-CB 4.28Å; I284-R317 VanDerWaalsContact CD1-CD 3.49Å; A313-R317 WeakPolarHBondContact O-CB 3.41Å; A313-R317 PolarHBondContact O-N 3.03Å; K315-R317 PolarHBondContact O-N 2.98Å; K315-R317 VanDerWaalsContact O-N 3.16Å; R317-E319 VanDerWaalsContact C-N 3.32Å; R317-I321 HydrophobicContact CG-CD1 3.99Å; R317-I321 HydrophobicContact CG-CG1 4.46Å; R317-I321 WeakPolarHBondContact O-CB 3.32Å; R317-I321 VanDerWaalsContact O-CG1 3.25Å; R317-I321 WeakPolarHBondContact O-CG1 3.19Å; R317-I321 PolarHBondContact O-N 3.06Å
318	A	85.6	Confident	82.5	Confident	61 Å²	61	85.5 Å²	85.5	50%	0.504	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-40.6	171.6	0	0	0	0	0	110.7	R314 K315 I321 A322	R314-A318 WeakPolarHBondContact O-CB 3.41Å; R314-A318 PolarHBondContact O-N 2.93Å; K315-A318 WeakPolarHBondContact O-CB 3.32Å; K315-A318 PolarHBondContact O-N 2.98Å; A318-I321 PolarHBondContact O-N 3.32Å; A318-A322 VanDerWaalsContact O-CB 3.28Å; A318-A322 WeakPolarHBondContact O-CB 3.13Å; A318-A322 PolarHBondContact O-N 3.3Å
319	E	86.3	Confident	80.6	Confident	130 Å²	130	83.2 Å²	83.2	61%	0.607	45%	0.449	S	S	*	.	H	α-helix	trans	-66.2	-42.7	174.9	-70.1	165.6	-162.9	0	0	111.9	K315 E316 R317 I321 A322 S323	K315-E319 WeakPolarHBondContact O-CG 3.45Å; K315-E319 PolarHBondContact O-N 2.92Å; E316-E319 PolarHBondContact O-N 3Å; R317-E319 VanDerWaalsContact C-N 3.32Å; E319-I321 PolarHBondContact O-N 3.11Å; E319-A322 CarbonylContact O-C 3.52Å; E319-A322 WeakPolarHBondContact O-CB 3.3Å; E319-A322 PolarHBondContact O-N 2.94Å; E319-A322 VanDerWaalsContact O-N 3.16Å; E319-S323 PolarHBondContact O-N 3.33Å
320	F	83.6	Confident	78.7	Confident	37 Å²	37	82.9 Å²	82.9	16%	0.162	46%	0.459	C	S	.	.	H	α-helix	trans	-66	-34.4	175.6	-169.3	-86.5	0	0	0	113.3	C278 E316 S323 E325 V327	C278-F320 HydrophobicContact CB-CB 4.22Å; C278-F320 HydrophobicContact CB-CD2 4.17Å; C278-F320 HydrophobicContact CB-CG 4.1Å; C278-F320 WeakPolarHBondContact SG-CD1 3.49Å; C278-F320 WeakPolarHBondContact SG-CG 3.37Å; E316-F320 VanDerWaalsContact O-CB 3.31Å; E316-F320 WeakPolarHBondContact O-CB 3.14Å; E316-F320 PolarHBondContact O-N 2.9Å; F320-S323 PolarHBondContact O-OG 3.02Å; F320-E325 HydrophobicContact CD1-CB 4.1Å; F320-E325 HydrophobicContact CE1-CB 3.48Å; F320-E325 VanDerWaalsContact CE1-CB 3.48Å; F320-E325 WeakPolarHBondContact CE1-O 3.38Å; F320-E325 HydrophobicContact CE2-CB 4.08Å; F320-E325 WeakPolarHBondContact CE2-OE2 3.49Å; F320-E325 HydrophobicContact CZ-CB 3.47Å; F320-E325 VanDerWaalsContact CZ-CB 3.47Å; F320-E325 HydrophobicContact CZ-CG 4.45Å; F320-E325 WeakPolarHBondContact CZ-OE2 3.49Å; F320-E325 PolarHBondContact O-N 3.19Å; F320-V327 HydrophobicContact CD1-CG2 3.72Å; F320-V327 HydrophobicContact CE1-CG2 3.85Å
321	I	80.5	Confident	76.7	Confident	99 Å²	99	87.5 Å²	87.5	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-73.5	-34.1	172.5	-68.4	167.7	0	0	0	110.3	R317 A318 E319 G324	R317-I321 HydrophobicContact CG-CD1 3.99Å; R317-I321 HydrophobicContact CG-CG1 4.46Å; R317-I321 WeakPolarHBondContact O-CB 3.32Å; R317-I321 VanDerWaalsContact O-CG1 3.25Å; R317-I321 WeakPolarHBondContact O-CG1 3.19Å; R317-I321 PolarHBondContact O-N 3.06Å; A318-I321 PolarHBondContact O-N 3.32Å; E319-I321 PolarHBondContact O-N 3.11Å; I321-G324 PolarHBondContact O-N 3.05Å
322	A	83.4	Confident	74.3	Confident	87 Å²	87	87.8 Å²	87.8	72%	0.719	49%	0.494	S	S	*	.	H	α-helix	trans	-70.4	-29	175.9	0	0	0	0	0	113.3	A318 E319 G324	A318-A322 VanDerWaalsContact O-CB 3.28Å; A318-A322 WeakPolarHBondContact O-CB 3.13Å; A318-A322 PolarHBondContact O-N 3.3Å; E319-A322 CarbonylContact O-C 3.52Å; E319-A322 WeakPolarHBondContact O-CB 3.3Å; E319-A322 PolarHBondContact O-N 2.94Å; E319-A322 VanDerWaalsContact O-N 3.16Å; A322-G324 PolarHBondContact O-N 3.45Å
323	S	80.2	Confident	71.9	Confident	79 Å²	79	94.6 Å²	94.6	55%	0.552	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-3.9	172.2	69.7	0	0	0	0	113.8	E319 F320	E319-S323 PolarHBondContact O-N 3.33Å; F320-S323 PolarHBondContact O-OG 3.02Å
324	G	73.1	Confident	69.4	Low	68 Å²	68	100.1 Å²	100.1	70%	0.701	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	6.3	176.7	0	0	0	0	0	114.9	I321 A322	I321-G324 PolarHBondContact O-N 3.05Å; A322-G324 PolarHBondContact O-N 3.45Å
325	E	71.5	Confident	67	Low	70 Å²	70	97.8 Å²	97.8	33%	0.327	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-85.3	137.9	179	-67.1	-166.1	144.3	0	0	112.5	R275 F320	R275-E325 IonicContact CZ-OE1 2.71Å; R275-E325 IonicContact NH1-OE1 2.79Å; R275-E325 PolarHBondContact NH1-OE1 3.29Å; F320-E325 HydrophobicContact CD1-CB 4.1Å; F320-E325 HydrophobicContact CE1-CB 3.48Å; F320-E325 VanDerWaalsContact CE1-CB 3.48Å; F320-E325 WeakPolarHBondContact CE1-O 3.38Å; F320-E325 HydrophobicContact CE2-CB 4.08Å; F320-E325 WeakPolarHBondContact CE2-OE2 3.49Å; F320-E325 HydrophobicContact CZ-CB 3.47Å; F320-E325 VanDerWaalsContact CZ-CB 3.47Å; F320-E325 HydrophobicContact CZ-CG 4.45Å; F320-E325 WeakPolarHBondContact CZ-OE2 3.49Å; F320-E325 PolarHBondContact O-N 3.19Å
326	S	62.9	Low	64.7	Low	109 Å²	109	100 Å²	100	76%	0.762	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-87.6	117.3	-178.7	175.3	0	0	0	0	111.4	R328	S326-R328 PolarHBondContact O-N 3.06Å
327	V	59.9	Low	62.6	Low	30 Å²	30	100.6 Å²	100.6	18%	0.182	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-65.2	120.6	175.1	-173.3	0	0	0	0	109.7	F320 N329	F320-V327 HydrophobicContact CD1-CG2 3.72Å; F320-V327 HydrophobicContact CE1-CG2 3.85Å; V327-N329 PolarHBondContact O-N 3.34Å
328	R	58.1	Low	60.7	Low	230 Å²	230	108.7 Å²	108.7	87%	0.868	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-72.5	118.8	174.7	-67.7	-177.7	178.3	179.9	-0	110	S326 A330	S326-R328 PolarHBondContact O-N 3.06Å; R328-A330 PolarHBondContact O-N 3.2Å
329	N	54.5	Low	58.8	Low	90 Å²	90	109.8 Å²	109.8	48%	0.481	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-65.1	117.3	170.4	-96.9	-11	0	0	0	110.2	V327 N331 T332	V327-N329 PolarHBondContact O-N 3.34Å; N329-N331 PolarHBondContact O-N 2.96Å; N329-N331 VanDerWaalsContact O-N 3.1Å; N329-T332 PolarHBondContact O-OG1 3.27Å
330	A	54.4	Low	57.3	Low	72 Å²	72	108.6 Å²	108.6	60%	0.595	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-16.7	177.8	0	0	0	0	0	113.5	T280 R328 T332	T280-A330 HydrophobicContact CG2-CB 4.18Å; R328-A330 PolarHBondContact O-N 3.2Å; A330-T332 PolarHBondContact O-N 3.18Å
331	N	48.3	Very low	56.3	Low	104 Å²	104	111.9 Å²	111.9	56%	0.556	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	10.4	-174	-120.9	-14.9	0	0	0	115.7	E282 N329 R333	E282-N331 WeakPolarHBondContact OE1-CB 3.29Å; E282-N331 PolarHBondContact OE1-ND2 3.44Å; E282-N331 PolarHBondContact OE2-ND2 3.04Å; E282-N331 VanDerWaalsContact OE2-ND2 3.12Å; N329-N331 PolarHBondContact O-N 2.96Å; N329-N331 VanDerWaalsContact O-N 3.1Å; N331-R333 PolarHBondContact O-N 3.09Å
332	T	43.1	Very low	56.2	Low	118 Å²	118	115 Å²	115	72%	0.724	68%	0.68	S	S	*	*	S	Bend	trans	-68.1	88.6	153.5	48.7	0	0	0	0	108.4	N329 A330	N329-T332 PolarHBondContact O-OG1 3.27Å; A330-T332 PolarHBondContact O-N 3.18Å
333	R	41.9	Very low	56.2	Low	187 Å²	187	119.4 Å²	119.4	71%	0.706	69%	0.685	S	S	*	*			trans	-41.5	134.6	167.4	-67.5	172.5	74.4	172.4	9.9	108.2	N331 A335	N331-R333 PolarHBondContact O-N 3.09Å; R333-A335 PolarHBondContact O-N 3.31Å
334	P	38.6	Very low	56.4	Low	122 Å²	122	118.1 Å²	118.1	79%	0.792	67%	0.674	S	S	*	*			trans	-51.9	123.1	173.6	23.1	-33	0	0	0	107.4	K336	P334-K336 PolarHBondContact O-N 2.9Å
335	A	39.1	Very low	57.1	Low	95 Å²	95	120.6 Å²	120.6	79%	0.785	67%	0.67	S	S	*	*			trans	-50.3	120.1	-168.8	0	0	0	0	0	108.9	R333 S337	R333-A335 PolarHBondContact O-N 3.31Å; A335-S337 PolarHBondContact O-N 3.27Å
336	K	42.5	Very low	58	Low	169 Å²	169	119 Å²	119	74%	0.735	66%	0.664	S	S	*	*			trans	-43.2	114.2	-177.3	-92.6	-173.5	172.5	-174.5	0	107.9	P334 K338	P334-K336 PolarHBondContact O-N 2.9Å; K336-K338 PolarHBondContact O-N 3.28Å
337	S	43.9	Very low	59.4	Low	117 Å²	117	115.4 Å²	115.4	82%	0.818	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.7	107	-170.9	50.5	0	0	0	0	110.4	A335 A339	A335-S337 PolarHBondContact O-N 3.27Å; S337-A339 VanDerWaalsContact C-N 3.32Å; S337-A339 PolarHBondContact O-N 2.97Å
338	K	42.5	Very low	60.6	Low	209 Å²	209	115.7 Å²	115.7	91%	0.909	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	3.7	77.9	-176.2	-71.3	-177.6	176.9	179.9	0	113.1	K336 S340	K336-K338 PolarHBondContact O-N 3.28Å; K338-S340 PolarHBondContact O-N 2.77Å; K338-S340 VanDerWaalsContact O-N 3.16Å
339	A	46.8	Very low	61.9	Low	84 Å²	84	106.1 Å²	106.1	69%	0.694	60%	0.603	S	S	*	*			trans	-55	125.6	159	0	0	0	0	0	105.3	S337 A341	S337-A339 VanDerWaalsContact C-N 3.32Å; S337-A339 PolarHBondContact O-N 2.97Å; A339-A341 PolarHBondContact O-N 2.9Å; A339-A341 VanDerWaalsContact O-N 3.12Å
340	S	53.8	Low	63.3	Low	104 Å²	104	103.1 Å²	103.1	73%	0.727	59%	0.588	S	S	*	*			trans	-51.3	124	178.6	41.5	0	0	0	0	108	K338 E342	K338-S340 PolarHBondContact O-N 2.77Å; K338-S340 VanDerWaalsContact O-N 3.16Å; S340-E342 VanDerWaalsContact C-N 3.31Å; S340-E342 PolarHBondContact O-N 3.37Å
341	A	64.1	Low	64.4	Low	106 Å²	106	104.7 Å²	104.7	88%	0.876	58%	0.582	S	S	*	*			trans	-63.4	97.1	178.5	0	0	0	0	0	108.1	A339	A339-A341 PolarHBondContact O-N 2.9Å; A339-A341 VanDerWaalsContact O-N 3.12Å
342	E	76.9	Confident	66	Low	164 Å²	164	102 Å²	102	77%	0.766	57%	0.572	S	S	*	*			trans	-80.8	122.6	-176.6	-174.8	165.2	-168.3	0	0	108.9	S340 V344	S340-E342 VanDerWaalsContact C-N 3.31Å; S340-E342 PolarHBondContact O-N 3.37Å; E342-V344 HydrophobicContact CG-CG2 4.3Å; E342-V344 PolarHBondContact O-N 2.9Å
343	H	84.3	Confident	67.8	Low	181 Å²	181	97.5 Å²	97.5	84%	0.838	55%	0.549	S	S	*	.			trans	-88.4	92.7	-178.2	-170.6	-74.3	0	0	0	109.8
344	V	84.4	Confident	69.9	Low	52 Å²	52	92.8 Å²	92.8	32%	0.315	54%	0.538	S	S	.	.			trans	-82.2	129.8	-179.8	176	0	0	0	0	110.8	E342 L346 H463	E342-V344 HydrophobicContact CG-CG2 4.3Å; E342-V344 PolarHBondContact O-N 2.9Å; V344-L346 PolarHBondContact O-N 2.9Å; V344-H463 WeakPolarHBondContact CG1-CE1 3.31Å; V344-H463 WeakPolarHBondContact CG1-NE2 3.13Å
345	L	88.7	Confident	72.3	Confident	119 Å²	119	91.5 Å²	91.5	62%	0.623	53%	0.527	S	S	*	.			trans	-78.2	114.8	164.7	179.3	63	0	0	0	109	T347 P357	L345-T347 HydrophobicContact CD2-CG2 4.49Å; L345-T347 HydrophobicContact CG-CG2 4.29Å; L345-T347 PolarHBondContact O-N 3.11Å; L345-P357 HydrophobicContact CD1-CB 4.16Å; L345-P357 HydrophobicContact CD2-CB 4.32Å; L345-P357 HydrophobicContact CG-CB 4.44Å
346	L	90.4	Very high	74.5	Confident	37 Å²	37	90.2 Å²	90.2	19%	0.194	50%	0.502	C	S	.	.			trans	-68.8	130.8	173.4	-65.8	-179.3	0	0	0	109.9	V344 L358 M456 A459 I460	V344-L346 PolarHBondContact O-N 2.9Å; L346-L358 HydrophobicContact CB-CB 4.13Å; L346-L358 HydrophobicContact CB-CD2 4.36Å; L346-L358 HydrophobicContact CD1-CD2 4.27Å; L346-L358 PolarHBondContact O-N 3.36Å; L346-M456 HydrophobicContact CD1-CG 3.83Å; L346-A459 HydrophobicContact CB-CB 4.18Å; L346-I460 HydrophobicContact CD1-CG1 3.97Å; L346-I460 HydrophobicContact CD2-CG1 3.84Å
347	T	90.5	Very high	76.8	Confident	34 Å²	34	85.5 Å²	85.5	21%	0.209	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.8	179.6	56.5	0	0	0	0	111.2	L345 V355 R356	L345-T347 HydrophobicContact CD2-CG2 4.49Å; L345-T347 HydrophobicContact CG-CG2 4.29Å; L345-T347 PolarHBondContact O-N 3.11Å; T347-V355 HydrophobicContact CG2-CG1 3.83Å; T347-R356 CarbonylContact C-O 3.58Å; T347-R356 WeakPolarHBondContact CA-O 3.38Å; T347-R356 VanDerWaalsContact CB-O 3.23Å; T347-R356 WeakPolarHBondContact CB-O 3.43Å
348	K	85.9	Confident	78.7	Confident	35 Å²	35	81 Å²	81	15%	0.152	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.2	171.3	-174.5	179.8	-177.5	-178.4	0	108.1	R356 E415 E455	K348-R356 HydrophobicContact CB-CG 4.24Å; K348-R356 PolarHBondContact N-O 3.35Å; K348-R356 PolarHBondContact O-N 2.94Å; K348-E415 IonicContact NZ-OE1 3.46Å; K348-E415 IonicContact NZ-OE2 2.92Å; K348-E415 PolarHBondContact NZ-OE2 3.01Å; K348-E455 IonicContact NZ-OE1 3.79Å
349	V	85.2	Confident	80.5	Confident	29 Å²	29	76.6 Å²	76.6	18%	0.176	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.5	178.9	-172.9	0	0	0	0	110.2	N354 V355 E462	V349-N354 WeakPolarHBondContact CA-O 3.45Å; V349-V355 HydrophobicContact CG2-CB 4.45Å; V349-V355 HydrophobicContact CG2-CG1 4.22Å; V349-V355 HydrophobicContact CG2-CG2 3.97Å; V349-E462 VanDerWaalsContact CG2-OE1 3.3Å; V349-E462 WeakPolarHBondContact CG2-OE1 3.39Å
350	D	83.7	Confident	81.6	Confident	28 Å²	28	78.9 Å²	78.9	15%	0.15	44%	0.442	C	S	.	.			trans	-86.2	179.7	176	74	19.3	0	0	0	113.1	S352 G353 N354	D350-S352 VanDerWaalsContact C-N 3.27Å; D350-S352 PolarHBondContact O-N 2.79Å; D350-S352 WeakPolarHBondContact OD1-CA 3.41Å; D350-S352 WeakPolarHBondContact OD1-CB 3.45Å; D350-S352 PolarHBondContact OD1-N 3.13Å; D350-G353 PolarHBondContact O-N 2.98Å; D350-G353 PolarHBondContact OD1-N 3.29Å; D350-N354 PolarHBondContact N-O 3.33Å; D350-N354 PolarHBondContact OD1-N 2.88Å; D350-N354 PolarHBondContact OD1-ND2 3.15Å; D350-N354 VanDerWaalsContact OD2-CB 3.31Å; D350-N354 WeakPolarHBondContact OD2-CB 3.34Å; D350-N354 PolarHBondContact OD2-ND2 2.87Å
351	Q	78.9	Confident	81.9	Confident	104 Å²	104	78.8 Å²	78.8	49%	0.486	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.5	179.4	-60.4	-173.6	-59	0	0	113.4	G353 T412 G615	Q351-G353 VanDerWaalsContact C-N 3.29Å; Q351-T412 HydrophobicContact CG-CG2 3.46Å; Q351-T412 VanDerWaalsContact CG-CG2 3.46Å; Q351-G615 WeakPolarHBondContact O-CA 3.29Å
352	S	80.8	Confident	81.4	Confident	48 Å²	48	75.6 Å²	75.6	34%	0.336	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	178	-70	0	0	0	0	113	D350 Q522	D350-S352 VanDerWaalsContact C-N 3.27Å; D350-S352 PolarHBondContact O-N 2.79Å; D350-S352 WeakPolarHBondContact OD1-CA 3.41Å; D350-S352 WeakPolarHBondContact OD1-CB 3.45Å; D350-S352 PolarHBondContact OD1-N 3.13Å; S352-Q522 PolarHBondContact O-NE2 3Å
353	G	81.8	Confident	79.9	Confident	23 Å²	23	73.9 Å²	73.9	24%	0.237	42%	0.415	C	S	.	.			trans	95.5	5.9	-176.7	0	0	0	0	0	114.4	D350 Q351	D350-G353 PolarHBondContact O-N 2.98Å; D350-G353 PolarHBondContact OD1-N 3.29Å; Q351-G353 VanDerWaalsContact C-N 3.29Å
354	N	85.6	Confident	78.2	Confident	89 Å²	89	70.5 Å²	70.5	48%	0.476	41%	0.409	S	S	.	.			trans	-73.8	136.4	178.2	-47.3	-61.8	0	0	0	110.1	V349 D350	V349-N354 WeakPolarHBondContact CA-O 3.45Å; D350-N354 PolarHBondContact N-O 3.33Å; D350-N354 PolarHBondContact OD1-N 2.88Å; D350-N354 PolarHBondContact OD1-ND2 3.15Å; D350-N354 VanDerWaalsContact OD2-CB 3.31Å; D350-N354 WeakPolarHBondContact OD2-CB 3.34Å; D350-N354 PolarHBondContact OD2-ND2 2.87Å
355	V	88	Confident	76.2	Confident	95 Å²	95	74.6 Å²	74.6	58%	0.576	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.5	-175.6	-170.4	0	0	0	0	109.8	T347 V349	T347-V355 HydrophobicContact CG2-CG1 3.83Å; V349-V355 HydrophobicContact CG2-CB 4.45Å; V349-V355 HydrophobicContact CG2-CG1 4.22Å; V349-V355 HydrophobicContact CG2-CG2 3.97Å
356	R	86.8	Confident	74.3	Confident	67 Å²	67	77 Å²	77	25%	0.253	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.2	172.4	77.7	176	-166.1	179.9	2.6	111.6	T347 K348 E455	T347-R356 CarbonylContact C-O 3.58Å; T347-R356 WeakPolarHBondContact CA-O 3.38Å; T347-R356 VanDerWaalsContact CB-O 3.23Å; T347-R356 WeakPolarHBondContact CB-O 3.43Å; K348-R356 HydrophobicContact CB-CG 4.24Å; K348-R356 PolarHBondContact N-O 3.35Å; K348-R356 PolarHBondContact O-N 2.94Å; R356-E455 IonicContact NH2-OE1 3.45Å; R356-E455 PolarHBondContact NH2-OE1 2.93Å
357	P	89.4	Confident	72.2	Confident	70 Å²	70	80.3 Å²	80.3	46%	0.455	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	147.4	165.2	29.6	-34.4	0	0	0	110.7	L345 V359	L345-P357 HydrophobicContact CD1-CB 4.16Å; L345-P357 HydrophobicContact CD2-CB 4.32Å; L345-P357 HydrophobicContact CG-CB 4.44Å; P357-V359 PolarHBondContact O-N 2.94Å
358	L	84.9	Confident	69.9	Low	24 Å²	24	89 Å²	89	13%	0.126	49%	0.494	C	S	.	.			trans	-75	109.8	170.9	-178.9	63.5	0	0	0	109.4	L346 Q360 E455 M456 A459	L346-L358 HydrophobicContact CB-CB 4.13Å; L346-L358 HydrophobicContact CB-CD2 4.36Å; L346-L358 HydrophobicContact CD1-CD2 4.27Å; L346-L358 PolarHBondContact O-N 3.36Å; L358-Q360 PolarHBondContact O-N 3.1Å; L358-E455 HydrophobicContact CD1-CB 4.27Å; L358-E455 HydrophobicContact CD1-CG 3.58Å; L358-M456 HydrophobicContact CD2-CB 4.06Å; L358-M456 HydrophobicContact CD2-CG 4.43Å; L358-A459 HydrophobicContact CD2-CB 4.16Å
359	V	79.8	Confident	67.4	Low	116 Å²	116	90.8 Å²	90.8	70%	0.703	52%	0.523	S	S	*	.			trans	-77.1	117.9	173.9	-177.1	0	0	0	0	108.6	P357	P357-V359 PolarHBondContact O-N 2.94Å
360	Q	69.3	Low	65	Low	131 Å²	131	92.9 Å²	92.9	61%	0.612	55%	0.55	S	S	*	*			trans	-89.4	117.8	168.9	-68.4	-177.2	-24.4	0	0	108.5	L358 G362	L358-Q360 PolarHBondContact O-N 3.1Å; Q360-G362 VanDerWaalsContact C-N 3.31Å
361	S	60.1	Low	62.9	Low	103 Å²	103	103.5 Å²	103.5	72%	0.72	59%	0.588	S	S	*	*			trans	-85.6	3.3	-177.3	20	0	0	0	0	114.4	E452	S361-E452 WeakPolarHBondContact CB-OE1 3.45Å; S361-E452 PolarHBondContact OG-OE1 3.3Å
362	G	54	Low	60.9	Low	38 Å²	38	105.8 Å²	105.8	39%	0.392	60%	0.601	S	S	.	*	S	Bend	trans	-113.4	148.1	-175.4	0	0	0	0	0	113.9	Q360	Q360-G362 VanDerWaalsContact C-N 3.31Å
363	D	45.4	Very low	59	Low	128 Å²	128	106 Å²	106	68%	0.684	61%	0.61	S	S	*	*			trans	-57.1	130.1	170.3	-114.2	-44.8	0	0	0	110.3	N365 E366	D363-N365 PolarHBondContact O-N 3.02Å; D363-E366 PolarHBondContact O-N 2.82Å
364	P	48.8	Very low	57.1	Low	110 Å²	110	110.8 Å²	110.8	71%	0.714	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-55	-24.7	-179.2	-27.2	34.7	0	0	0	113.8	S367	P364-S367 VanDerWaalsContact O-CB 3.29Å; P364-S367 WeakPolarHBondContact O-CB 3.45Å; P364-S367 PolarHBondContact O-N 2.85Å; P364-S367 PolarHBondContact O-OG 3.37Å
365	N	43.3	Very low	55.2	Low	138 Å²	138	115.7 Å²	115.7	74%	0.738	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-75.6	-20.4	-172.5	-140.6	15.3	0	0	0	114.3	D363 S367 Y368	D363-N365 PolarHBondContact O-N 3.02Å; N365-S367 PolarHBondContact O-N 2.72Å; N365-Y368 PolarHBondContact O-N 2.88Å
366	E	48.7	Very low	53.2	Low	169 Å²	169	122.5 Å²	122.5	79%	0.79	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-69.1	-13.1	172.9	-72.2	-152.7	138.7	0	0	113	D363 Y368	D363-E366 PolarHBondContact O-N 2.82Å; E366-Y368 PolarHBondContact O-N 3.35Å
367	S	45.8	Very low	51.6	Low	108 Å²	108	122.5 Å²	122.5	76%	0.755	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-70.9	-11.4	179.9	-57.7	0	0	0	0	114	P364 N365	P364-S367 VanDerWaalsContact O-CB 3.29Å; P364-S367 WeakPolarHBondContact O-CB 3.45Å; P364-S367 PolarHBondContact O-N 2.85Å; P364-S367 PolarHBondContact O-OG 3.37Å; N365-S367 PolarHBondContact O-N 2.72Å
368	Y	41.7	Very low	50.2	Low	216 Å²	216	122.3 Å²	122.3	85%	0.847	69%	0.691	S	S	*	*	S	Bend	trans	-128.1	95.1	-169.2	-155.8	-94.1	0	0	0	112.9	N365 E366	N365-Y368 PolarHBondContact O-N 2.88Å; E366-Y368 PolarHBondContact O-N 3.35Å
369	G	34.4	Very low	49.4	Very low	73 Å²	73	129 Å²	129	75%	0.753	72%	0.719	S	S	*	*			trans	131.6	-10.5	157.9	0	0	0	0	0	118.6	R371	G369-R371 PolarHBondContact O-N 2.86Å
370	G	34.5	Very low	49.2	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	71%	0.708	S	S	*	*			trans	-69.2	101.9	178.5	0	0	0	0	0	113.3	M372	G370-M372 PolarHBondContact O-N 3.01Å
371	R	38.2	Very low	49.8	Very low	250 Å²	250	123.8 Å²	123.8	94%	0.943	69%	0.687	S	S	*	*			trans	-56.2	109.2	170.7	-90.9	-168.6	178.6	-155.1	2.1	109.8	G369 G373	G369-R371 PolarHBondContact O-N 2.86Å; R371-G373 PolarHBondContact O-N 3.49Å
372	M	37.6	Very low	50.9	Low	152 Å²	152	124.4 Å²	124.4	75%	0.749	68%	0.682	S	S	*	*			trans	-55.5	99.4	172.8	-79.8	-83.9	-174.6	0	0	110.8	G370	G370-M372 PolarHBondContact O-N 3.01Å
373	G	41.6	Very low	52.3	Low	52 Å²	52	122.7 Å²	122.7	54%	0.536	66%	0.664	S	S	.	*			trans	-57	153.5	164.8	0	0	0	0	0	110.4	R371 K375	R371-G373 PolarHBondContact O-N 3.49Å; G373-K375 PolarHBondContact O-N 2.79Å
374	P	41.5	Very low	54.3	Low	124 Å²	124	120.3 Å²	120.3	81%	0.805	65%	0.648	S	S	*	*			trans	-57.6	128.6	-178.4	24.9	-33.8	0	0	0	109.6	R376	P374-R376 VanDerWaalsContact C-N 3.3Å; P374-R376 PolarHBondContact O-N 2.73Å
375	K	45.7	Very low	56.2	Low	192 Å²	192	119 Å²	119	84%	0.835	64%	0.638	S	S	*	*			trans	-52.9	88.5	-179.9	-73.3	-177.7	172.4	-177.7	0	111.3	G373 G377	G373-K375 PolarHBondContact O-N 2.79Å; K375-G377 PolarHBondContact O-N 3.32Å
376	R	44.9	Very low	58.3	Low	239 Å²	239	119.9 Å²	119.9	90%	0.902	64%	0.643	S	S	*	*			trans	-59.3	131.9	161	-76.1	-178.7	160.5	-177.2	-7.8	106.1	P374 S378	P374-R376 VanDerWaalsContact C-N 3.3Å; P374-R376 PolarHBondContact O-N 2.73Å; R376-S378 PolarHBondContact O-N 2.96Å
377	G	53.9	Low	60.1	Low	66 Å²	66	115.3 Å²	115.3	68%	0.68	64%	0.641	S	S	*	*			trans	-53.8	141.5	-174.9	0	0	0	0	0	110.7	K375 K379	K375-G377 PolarHBondContact O-N 3.32Å; G377-K379 PolarHBondContact O-N 3.33Å
378	S	59.7	Low	62.1	Low	67 Å²	67	117.2 Å²	117.2	47%	0.469	64%	0.638	S	S	.	*			trans	-48.7	114.1	-179.3	55	0	0	0	0	109.5	R376 K380	R376-S378 PolarHBondContact O-N 2.96Å; S378-K380 PolarHBondContact O-N 2.81Å
379	K	68	Low	64.2	Low	164 Å²	164	111.7 Å²	111.7	71%	0.713	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-57.9	137	173.5	-68.1	-175	176.8	-174.3	0	107.8	G377 Q445	G377-K379 PolarHBondContact O-N 3.33Å; K379-Q445 PolarHBondContact O-N 3.06Å; K379-Q445 VanDerWaalsContact O-N 3.1Å
380	K	77.1	Confident	66.7	Low	111 Å²	111	112.2 Å²	112.2	48%	0.483	61%	0.605	S	S	.	*	B	Isolated β-bridge	trans	-71.7	132.1	164.2	-69.9	-177	179.5	-179.8	0	106.6	S378 D440 R443	S378-K380 PolarHBondContact O-N 2.81Å; K380-D440 WeakPolarHBondContact CE-OD1 3.48Å; K380-D440 WeakPolarHBondContact CE-OD2 3.31Å; K380-D440 IonicContact NZ-OD1 3.52Å; K380-D440 PolarHBondContact NZ-OD1 2.91Å; K380-D440 IonicContact NZ-OD2 3.97Å; K380-D440 PolarHBondContact NZ-OD2 3.26Å; K380-R443 CarbonylContact C-O 3.58Å; K380-R443 VanDerWaalsContact CA-O 3.26Å; K380-R443 WeakPolarHBondContact CA-O 3.21Å; K380-R443 HydrophobicContact CB-CB 4.16Å; K380-R443 HydrophobicContact CG-CB 4.24Å
381	V	80.4	Confident	69.2	Low	26 Å²	26	111.5 Å²	111.5	16%	0.158	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-71.8	145.5	167.6	-168.4	0	0	0	0	107.6	A394 R443 Q445	V381-A394 HydrophobicContact CB-CB 4.41Å; V381-A394 HydrophobicContact CG2-CB 3.49Å; V381-A394 VanDerWaalsContact CG2-CB 3.49Å; V381-R443 PolarHBondContact N-O 3.28Å; V381-Q445 HydrophobicContact CG2-CB 4.47Å; V381-Q445 HydrophobicContact CG2-CG 3.2Å
382	D	83.8	Confident	71.2	Confident	116 Å²	116	106 Å²	106	62%	0.62	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-71.6	137.5	169.7	-154.5	-16.7	0	0	0	110.3	H384 R391	D382-H384 PolarHBondContact OD1-N 3.19Å; D382-R391 VanDerWaalsContact O-CD 3.29Å; D382-R391 WeakPolarHBondContact O-CD 3.42Å
383	T	83	Confident	73.2	Confident	3 Å²	3	102.5 Å²	102.5	2%	0.018	54%	0.54	C	S	.	.			trans	-106.8	-13.4	-178.1	52	0	0	0	0	112.8	R389 V390 R391 R443	T383-R389 CarbonylContact O-C 3.15Å; T383-R389 WeakPolarHBondContact O-CA 3.47Å; T383-V390 PolarHBondContact O-N 3.45Å; T383-R391 WeakPolarHBondContact CB-O 3.42Å; T383-R391 HydrophobicContact CG2-CG 4.3Å; T383-R391 PolarHBondContact O-N 3.14Å; T383-R443 HydrophobicContact CG2-CG 3.55Å
384	H	87.5	Confident	75.1	Confident	77 Å²	77	100.5 Å²	100.5	36%	0.356	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.1	-176.4	-56.4	90.6	0	0	0	111.2	D382 Q388 R389	D382-H384 PolarHBondContact OD1-N 3.19Å; H384-Q388 CarbonylContact C-O 3.52Å; H384-Q388 WeakPolarHBondContact CA-O 3.46Å; H384-R389 VanDerWaalsContact CD2-CA 3.46Å; H384-R389 WeakPolarHBondContact CD2-CA 3.32Å
385	V	87.9	Confident	76.8	Confident	83 Å²	83	97.2 Å²	97.2	50%	0.503	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.3	167.4	-176.7	0	0	0	0	105.4	G387 Q388 V390	V385-G387 PolarHBondContact O-N 2.84Å; V385-G387 VanDerWaalsContact O-N 3.16Å; V385-Q388 PolarHBondContact N-O 3.23Å; V385-Q388 PolarHBondContact O-N 3.39Å; V385-V390 HydrophobicContact CB-CG2 3.78Å; V385-V390 HydrophobicContact CG2-CB 4.47Å; V385-V390 HydrophobicContact CG2-CG2 3.74Å
386	D	87.8	Confident	78.5	Confident	156 Å²	156	90.9 Å²	90.9	83%	0.834	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.5	-179.6	-50.2	-32.7	0	0	0	113.9	Q388	D386-Q388 PolarHBondContact O-N 3.07Å; D386-Q388 VanDerWaalsContact O-N 3.14Å
387	G	86.5	Confident	80.4	Confident	73 Å²	73	84.8 Å²	84.8	75%	0.753	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-15.3	-177.3	0	0	0	0	0	115.2	V385	V385-G387 PolarHBondContact O-N 2.84Å; V385-G387 VanDerWaalsContact O-N 3.16Å
388	Q	88.1	Confident	81.7	Confident	149 Å²	149	86.2 Å²	86.2	70%	0.696	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	141	179.4	-59.5	-171.4	10.2	0	0	111.6	H384 V385 D386 V390	H384-Q388 CarbonylContact C-O 3.52Å; H384-Q388 WeakPolarHBondContact CA-O 3.46Å; V385-Q388 PolarHBondContact N-O 3.23Å; V385-Q388 PolarHBondContact O-N 3.39Å; D386-Q388 PolarHBondContact O-N 3.07Å; D386-Q388 VanDerWaalsContact O-N 3.14Å; Q388-V390 PolarHBondContact O-N 2.88Å
389	R	85.2	Confident	82.8	Confident	99 Å²	99	86.2 Å²	86.2	37%	0.374	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.6	179.6	-169.1	178.6	-177.2	171.1	4.1	110.8	T383 H384 R391	T383-R389 CarbonylContact O-C 3.15Å; T383-R389 WeakPolarHBondContact O-CA 3.47Å; H384-R389 VanDerWaalsContact CD2-CA 3.46Å; H384-R389 WeakPolarHBondContact CD2-CA 3.32Å; R389-R391 WeakPolarHBondContact CG-O 3.5Å; R389-R391 PolarHBondContact NE-O 2.97Å; R389-R391 VanDerWaalsContact NE-O 3.16Å
390	V	87.8	Confident	83.8	Confident	85 Å²	85	83 Å²	83	52%	0.515	42%	0.42	S	S	.	.			trans	-86	-30.2	-178.4	-178.8	0	0	0	0	112.2	T383 V385 Q388	T383-V390 PolarHBondContact O-N 3.45Å; V385-V390 HydrophobicContact CB-CG2 3.78Å; V385-V390 HydrophobicContact CG2-CB 4.47Å; V385-V390 HydrophobicContact CG2-CG2 3.74Å; Q388-V390 PolarHBondContact O-N 2.88Å
391	R	86	Confident	84.4	Confident	58 Å²	58	84.5 Å²	84.5	22%	0.219	43%	0.432	C	S	.	.			trans	-144.2	153.5	-177.2	65.6	-171.2	76	-140.4	-10.3	113.3	D382 T383 R389 D396 D397	D382-R391 VanDerWaalsContact O-CD 3.29Å; D382-R391 WeakPolarHBondContact O-CD 3.42Å; T383-R391 WeakPolarHBondContact CB-O 3.42Å; T383-R391 HydrophobicContact CG2-CG 4.3Å; T383-R391 PolarHBondContact O-N 3.14Å; R389-R391 WeakPolarHBondContact CG-O 3.5Å; R389-R391 PolarHBondContact NE-O 2.97Å; R389-R391 VanDerWaalsContact NE-O 3.16Å; R391-D396 HydrophobicContact CB-CB 4.4Å; R391-D397 IonicContact CZ-OD1 3.55Å; R391-D397 IonicContact CZ-OD2 2.71Å; R391-D397 IonicContact NH1-OD1 3.1Å; R391-D397 PolarHBondContact NH1-OD1 3.22Å; R391-D397 IonicContact NH1-OD2 2.87Å; R391-D397 PolarHBondContact NH1-OD2 3.08Å; R391-D397 IonicContact NH2-OD1 2.68Å; R391-D397 IonicContact NH2-OD2 2.75Å; R391-D397 PolarHBondContact NH2-OD2 3.34Å
392	Y	80.9	Confident	84.9	Confident	135 Å²	135	89.7 Å²	89.7	53%	0.529	45%	0.453	S	S	.	.	S	Bend	trans	-94.5	-64.7	169.3	-73.8	-107.1	0	0	0	109.1	D396 V442	Y392-D396 WeakPolarHBondContact CA-OD2 3.19Å; Y392-D396 PolarHBondContact N-OD2 3Å; Y392-V442 WeakPolarHBondContact O-CG1 3.44Å
393	F	80.4	Confident	85	Confident	78 Å²	78	88.3 Å²	88.3	34%	0.342	44%	0.442	S	S	.	.	S	Bend	trans	-94.3	161.9	-173.4	-53.8	-107.8	0	0	0	113.2	D395 D396 F438 V442	F393-D395 WeakPolarHBondContact CB-OD1 3.29Å; F393-D395 PolarHBondContact O-N 2.75Å; F393-D395 VanDerWaalsContact O-N 3.17Å; F393-D396 VanDerWaalsContact CB-OD1 3.29Å; F393-D396 WeakPolarHBondContact CB-OD1 3.27Å; F393-D396 VanDerWaalsContact CD2-OD1 3.32Å; F393-D396 WeakPolarHBondContact CD2-OD1 3.37Å; F393-D396 PolarHBondContact N-OD1 3.24Å; F393-D396 PolarHBondContact N-OD2 3.47Å; F393-F438 HydrophobicContact CE1-CE1 4.23Å; F393-F438 HydrophobicContact CE1-CZ 4.1Å; F393-F438 AromaticContact CZ-CE1 3.93Å; F393-F438 HydrophobicContact CZ-CE1 3.93Å; F393-F438 AromaticContact CZ-CZ 3.97Å; F393-F438 HydrophobicContact CZ-CZ 3.97Å; F393-V442 HydrophobicContact CB-CG1 3.95Å; F393-V442 HydrophobicContact CD1-CB 4.19Å; F393-V442 HydrophobicContact CD1-CG1 3.43Å; F393-V442 VanDerWaalsContact CD1-CG1 3.43Å; F393-V442 HydrophobicContact CD1-CG2 3.85Å; F393-V442 HydrophobicContact CD2-CG1 4.22Å; F393-V442 HydrophobicContact CE1-CB 4.4Å; F393-V442 HydrophobicContact CE1-CG1 3.9Å; F393-V442 HydrophobicContact CE1-CG2 3.6Å; F393-V442 HydrophobicContact CG-CG1 3.58Å; F393-V442 HydrophobicContact CZ-CG1 4.45Å; F393-V442 HydrophobicContact CZ-CG2 4.35Å
394	A	80.2	Confident	85.1	Confident	10 Å²	10	93.6 Å²	93.6	8%	0.083	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-2.2	177	0	0	0	0	0	113.9	V381 R398 V442 Q445	V381-A394 HydrophobicContact CB-CB 4.41Å; V381-A394 HydrophobicContact CG2-CB 3.49Å; V381-A394 VanDerWaalsContact CG2-CB 3.49Å; A394-R398 PolarHBondContact O-NH2 3.12Å; A394-V442 PolarHBondContact N-O 2.8Å; A394-Q445 HydrophobicContact CB-CG 4.44Å
395	D	78.2	Confident	85.2	Confident	54 Å²	54	96.4 Å²	96.4	29%	0.289	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	9.1	-173.2	52.3	-31.6	0	0	0	114.8	F393 D397 R398 Y399	F393-D395 WeakPolarHBondContact CB-OD1 3.29Å; F393-D395 PolarHBondContact O-N 2.75Å; F393-D395 VanDerWaalsContact O-N 3.17Å; D395-D397 VanDerWaalsContact C-N 3.34Å; D395-D397 PolarHBondContact O-N 3.43Å; D395-R398 HydrophobicContact CB-CB 4.4Å; D395-R398 HydrophobicContact CB-CG 4Å; D395-R398 VanDerWaalsContact O-CB 3.3Å; D395-R398 WeakPolarHBondContact O-CB 3.46Å; D395-R398 PolarHBondContact O-N 2.96Å; D395-Y399 HydrophobicContact CB-CE2 4.25Å
396	D	81.9	Confident	85	Confident	60 Å²	60	96.8 Å²	96.8	32%	0.321	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-51.8	-49.4	177	-70.4	-14.7	0	0	0	112.2	R391 Y392 F393 R398	R391-D396 HydrophobicContact CB-CB 4.4Å; Y392-D396 WeakPolarHBondContact CA-OD2 3.19Å; Y392-D396 PolarHBondContact N-OD2 3Å; F393-D396 VanDerWaalsContact CB-OD1 3.29Å; F393-D396 WeakPolarHBondContact CB-OD1 3.27Å; F393-D396 VanDerWaalsContact CD2-OD1 3.32Å; F393-D396 WeakPolarHBondContact CD2-OD1 3.37Å; F393-D396 PolarHBondContact N-OD1 3.24Å; F393-D396 PolarHBondContact N-OD2 3.47Å; D396-R398 PolarHBondContact O-N 3.22Å; D396-R398 VanDerWaalsContact O-N 3.12Å
397	D	83.9	Confident	84.8	Confident	110 Å²	110	95.1 Å²	95.1	59%	0.588	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-69.4	-3.9	179.2	-50.2	5.1	0	0	0	114.6	R391 D395	R391-D397 IonicContact CZ-OD1 3.55Å; R391-D397 IonicContact CZ-OD2 2.71Å; R391-D397 IonicContact NH1-OD1 3.1Å; R391-D397 PolarHBondContact NH1-OD1 3.22Å; R391-D397 IonicContact NH1-OD2 2.87Å; R391-D397 PolarHBondContact NH1-OD2 3.08Å; R391-D397 IonicContact NH2-OD1 2.68Å; R391-D397 IonicContact NH2-OD2 2.75Å; R391-D397 PolarHBondContact NH2-OD2 3.34Å; D395-D397 VanDerWaalsContact C-N 3.34Å; D395-D397 PolarHBondContact O-N 3.43Å
398	R	81.3	Confident	84.7	Confident	97 Å²	97	98.4 Å²	98.4	37%	0.366	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-86.4	-19.7	-172.5	-63.1	-172.4	-163.6	167.3	6.4	114.2	A394 D395 D396 I446	A394-R398 PolarHBondContact O-NH2 3.12Å; D395-R398 HydrophobicContact CB-CB 4.4Å; D395-R398 HydrophobicContact CB-CG 4Å; D395-R398 VanDerWaalsContact O-CB 3.3Å; D395-R398 WeakPolarHBondContact O-CB 3.46Å; D395-R398 PolarHBondContact O-N 2.96Å; D396-R398 PolarHBondContact O-N 3.22Å; D396-R398 VanDerWaalsContact O-N 3.12Å; R398-I446 PolarHBondContact NH1-O 2.7Å; R398-I446 PolarHBondContact NH2-O 3.26Å; R398-I446 VanDerWaalsContact NH2-O 3.1Å
399	Y	83.1	Confident	84.6	Confident	67 Å²	67	97.9 Å²	97.9	26%	0.263	45%	0.449	S	S	.	.			trans	-117.3	125.3	-167.4	-60.5	-57.5	0	0	0	111.8	D395 Q403 R407	D395-Y399 HydrophobicContact CB-CE2 4.25Å; Y399-Q403 HydrophobicContact CD1-CB 4.46Å; Y399-R407 VanDerWaalsContact CE1-NH1 3.33Å; Y399-R407 VanDerWaalsContact CZ-CZ 3.45Å; Y399-R407 PolarHBondContact OH-NH2 3.41Å; Y399-R407 VanDerWaalsContact OH-NH2 3.13Å
400	D	89	Confident	84.2	Confident	96 Å²	96	95.9 Å²	95.9	51%	0.513	44%	0.444	S	S	.	.			trans	-69.6	156	165.3	174.8	43.6	0	0	0	110.9	K402 Q403 M404	D400-K402 PolarHBondContact O-N 3.47Å; D400-K402 VanDerWaalsContact O-N 3.16Å; D400-K402 WeakPolarHBondContact OD2-CB 2.79Å; D400-K402 PolarHBondContact OD2-N 3.16Å; D400-Q403 HydrophobicContact CB-CG 4.38Å; D400-Q403 WeakPolarHBondContact O-CA 3.25Å; D400-Q403 WeakPolarHBondContact O-CB 3.19Å; D400-Q403 PolarHBondContact O-N 3.2Å; D400-M404 PolarHBondContact O-N 3.48Å
401	I	90.4	Very high	83.7	Confident	142 Å²	142	93.7 Å²	93.7	73%	0.728	43%	0.434	S	S	*	.	H	α-helix	trans	-53.3	-40	-179.4	-61.2	173.6	0	0	0	110.8	M404 F405	I401-M404 WeakPolarHBondContact O-CB 3.46Å; I401-M404 PolarHBondContact O-N 2.86Å; I401-F405 PolarHBondContact O-N 3.35Å
402	K	90.7	Very high	83.2	Confident	136 Å²	136	92 Å²	92	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-62.6	-43.6	176.1	-173.7	-174.3	174.6	-166.7	0	112.2	D400 M404 F405 E406	D400-K402 PolarHBondContact O-N 3.47Å; D400-K402 VanDerWaalsContact O-N 3.16Å; D400-K402 WeakPolarHBondContact OD2-CB 2.79Å; D400-K402 PolarHBondContact OD2-N 3.16Å; K402-M404 VanDerWaalsContact C-N 3.3Å; K402-M404 PolarHBondContact O-N 2.9Å; K402-F405 PolarHBondContact O-N 3.33Å; K402-E406 WeakPolarHBondContact CE-OE1 3.46Å; K402-E406 IonicContact NZ-OE1 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.34Å; K402-E406 PolarHBondContact O-N 3Å
403	Q	86.2	Confident	83	Confident	86 Å²	86	87.9 Å²	87.9	40%	0.402	43%	0.425	S	S	.	.	H	α-helix	trans	-68.7	-31.9	178.5	-61.8	-178.1	1.5	0	0	111.8	Y399 D400 R407	Y399-Q403 HydrophobicContact CD1-CB 4.46Å; D400-Q403 HydrophobicContact CB-CG 4.38Å; D400-Q403 WeakPolarHBondContact O-CA 3.25Å; D400-Q403 WeakPolarHBondContact O-CB 3.19Å; D400-Q403 PolarHBondContact O-N 3.2Å; Q403-R407 WeakPolarHBondContact O-CB 3.48Å; Q403-R407 WeakPolarHBondContact O-CG 3.4Å; Q403-R407 PolarHBondContact O-N 3.04Å
404	M	84.2	Confident	82.9	Confident	114 Å²	114	86.3 Å²	86.3	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-66.6	-44.5	173.1	-167.2	-178.4	-66.4	0	0	111.3	D400 I401 K402 E406 R407 E408	D400-M404 PolarHBondContact O-N 3.48Å; I401-M404 WeakPolarHBondContact O-CB 3.46Å; I401-M404 PolarHBondContact O-N 2.86Å; K402-M404 VanDerWaalsContact C-N 3.3Å; K402-M404 PolarHBondContact O-N 2.9Å; M404-E406 PolarHBondContact O-N 2.99Å; M404-R407 WeakPolarHBondContact O-CB 3.41Å; M404-R407 PolarHBondContact O-N 3.42Å; M404-E408 PolarHBondContact O-N 2.59Å
405	F	89.1	Confident	82.7	Confident	136 Å²	136	89.4 Å²	89.4	60%	0.596	44%	0.439	S	S	*	.	H	α-helix	trans	-60.9	-43.6	173.4	176.3	-99.6	0	0	0	112.6	I401 K402 R407 E408 K409	I401-F405 PolarHBondContact O-N 3.35Å; K402-F405 PolarHBondContact O-N 3.33Å; F405-R407 VanDerWaalsContact C-N 3.31Å; F405-R407 PolarHBondContact O-N 3.03Å; F405-E408 PolarHBondContact O-N 3.03Å; F405-K409 HydrophobicContact CE1-CD 4.18Å; F405-K409 HydrophobicContact CZ-CD 4.33Å; F405-K409 VanDerWaalsContact O-CB 3.24Å; F405-K409 WeakPolarHBondContact O-CB 3.4Å; F405-K409 PolarHBondContact O-N 3.17Å
406	E	85.2	Confident	82.7	Confident	91 Å²	91	90.9 Å²	90.9	43%	0.425	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-32.9	175.3	-72.6	173.6	-173.7	0	0	112.7	K402 M404 H410	K402-E406 WeakPolarHBondContact CE-OE1 3.46Å; K402-E406 IonicContact NZ-OE1 3.28Å; K402-E406 WeakPolarHBondContact O-CG 3.34Å; K402-E406 PolarHBondContact O-N 3Å; M404-E406 PolarHBondContact O-N 2.99Å; E406-H410 PolarHBondContact O-CD2 3.07Å
407	R	82.1	Confident	82.9	Confident	121 Å²	121	93.1 Å²	93.1	46%	0.457	46%	0.462	S	S	.	.	H	α-helix	trans	-67	-53.2	171.5	-82.6	176	141.2	62.5	11	111.2	Y399 Q403 M404 F405 H410 A411	Y399-R407 VanDerWaalsContact CE1-NH1 3.33Å; Y399-R407 VanDerWaalsContact CZ-CZ 3.45Å; Y399-R407 PolarHBondContact OH-NH2 3.41Å; Y399-R407 VanDerWaalsContact OH-NH2 3.13Å; Q403-R407 WeakPolarHBondContact O-CB 3.48Å; Q403-R407 WeakPolarHBondContact O-CG 3.4Å; Q403-R407 PolarHBondContact O-N 3.04Å; M404-R407 WeakPolarHBondContact O-CB 3.41Å; M404-R407 PolarHBondContact O-N 3.42Å; F405-R407 VanDerWaalsContact C-N 3.31Å; F405-R407 PolarHBondContact O-N 3.03Å; R407-H410 CarbonylContact O-C 3.53Å; R407-H410 PolarHBondContact O-N 3.04Å; R407-H410 VanDerWaalsContact O-N 3.17Å; R407-A411 PolarHBondContact O-N 2.98Å
408	E	84.5	Confident	82.8	Confident	143 Å²	143	93.8 Å²	93.8	67%	0.668	46%	0.464	S	S	*	.	H	α-helix	trans	-64.9	-43.2	-174.2	-170.6	58.2	-156.9	0	0	112.3	M404 F405 H410 A411	M404-E408 PolarHBondContact O-N 2.59Å; F405-E408 PolarHBondContact O-N 3.03Å; E408-H410 PolarHBondContact O-N 3.36Å; E408-A411 WeakPolarHBondContact O-CB 3.33Å; E408-A411 PolarHBondContact O-N 3.46Å
409	K	85.4	Confident	82.6	Confident	137 Å²	137	94.3 Å²	94.3	60%	0.596	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.1	175.8	-177.4	175.6	179.3	-178.5	0	113.9	F405	F405-K409 HydrophobicContact CE1-CD 4.18Å; F405-K409 HydrophobicContact CZ-CD 4.33Å; F405-K409 VanDerWaalsContact O-CB 3.24Å; F405-K409 WeakPolarHBondContact O-CB 3.4Å; F405-K409 PolarHBondContact O-N 3.17Å
410	H	77.1	Confident	82.6	Confident	58 Å²	58	96.3 Å²	96.3	27%	0.269	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	8.3	-179.7	-63.6	-53.1	0	0	0	112.8	E406 R407 E408	E406-H410 PolarHBondContact O-CD2 3.07Å; R407-H410 CarbonylContact O-C 3.53Å; R407-H410 PolarHBondContact O-N 3.04Å; R407-H410 VanDerWaalsContact O-N 3.17Å; E408-H410 PolarHBondContact O-N 3.36Å
411	A	77.5	Confident	82.4	Confident	38 Å²	38	94.1 Å²	94.1	31%	0.314	48%	0.475	S	S	.	.			trans	-69.5	146.2	171.6	0	0	0	0	0	108.8	R407 E408	R407-A411 PolarHBondContact O-N 2.98Å; E408-A411 WeakPolarHBondContact O-CB 3.33Å; E408-A411 PolarHBondContact O-N 3.46Å
412	T	75.2	Confident	82	Confident	22 Å²	22	91 Å²	91	14%	0.135	46%	0.459	C	S	.	.			trans	-115	128.6	176.9	-63.8	0	0	0	0	105.9	Q351 A414 E415 V416	Q351-T412 HydrophobicContact CG-CG2 3.46Å; Q351-T412 VanDerWaalsContact CG-CG2 3.46Å; T412-A414 HydrophobicContact CG2-CB 3.78Å; T412-A414 PolarHBondContact O-N 3.32Å; T412-A414 VanDerWaalsContact O-N 3.07Å; T412-E415 WeakPolarHBondContact O-CA 3.29Å; T412-E415 VanDerWaalsContact O-CB 3.27Å; T412-E415 WeakPolarHBondContact O-CB 3.45Å; T412-E415 PolarHBondContact O-N 3.31Å; T412-V416 PolarHBondContact O-N 3.5Å
413	A	78.1	Confident	81.5	Confident	50 Å²	50	85.6 Å²	85.6	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-57	-30.1	179.7	0	0	0	0	0	112.3	E415 V416 N417	A413-E415 VanDerWaalsContact C-N 3.29Å; A413-E415 PolarHBondContact O-N 3.18Å; A413-V416 PolarHBondContact O-N 3.11Å; A413-N417 VanDerWaalsContact O-CG 3.26Å; A413-N417 PolarHBondContact O-N 2.89Å
414	A	77.4	Confident	81.4	Confident	45 Å²	45	84.8 Å²	84.8	37%	0.372	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-29.7	171.3	0	0	0	0	0	114	T412 L418	T412-A414 HydrophobicContact CG2-CB 3.78Å; T412-A414 PolarHBondContact O-N 3.32Å; T412-A414 VanDerWaalsContact O-N 3.07Å; A414-L418 VanDerWaalsContact O-CB 3.29Å; A414-L418 WeakPolarHBondContact O-CB 3.23Å; A414-L418 WeakPolarHBondContact O-CG 3.36Å; A414-L418 PolarHBondContact O-N 3.36Å
415	E	75.6	Confident	81.3	Confident	74 Å²	74	83.3 Å²	83.3	35%	0.346	44%	0.438	S	S	.	.	H	α-helix	trans	-70.2	-42.4	174.8	-173.4	167.2	-168.3	0	0	111.2	K348 T412 A413 L418 Q419	K348-E415 IonicContact NZ-OE1 3.46Å; K348-E415 IonicContact NZ-OE2 2.92Å; K348-E415 PolarHBondContact NZ-OE2 3.01Å; T412-E415 WeakPolarHBondContact O-CA 3.29Å; T412-E415 VanDerWaalsContact O-CB 3.27Å; T412-E415 WeakPolarHBondContact O-CB 3.45Å; T412-E415 PolarHBondContact O-N 3.31Å; A413-E415 VanDerWaalsContact C-N 3.29Å; A413-E415 PolarHBondContact O-N 3.18Å; E415-L418 PolarHBondContact O-N 3.48Å; E415-Q419 WeakPolarHBondContact O-CG 3.27Å; E415-Q419 PolarHBondContact O-N 3.32Å
416	V	79.7	Confident	80.6	Confident	85 Å²	85	82.4 Å²	82.4	52%	0.515	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-46.7	173	-176.4	0	0	0	0	110.5	T412 A413 L418 Q419 Y420	T412-V416 PolarHBondContact O-N 3.5Å; A413-V416 PolarHBondContact O-N 3.11Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 2.98Å; V416-Q419 WeakPolarHBondContact O-CB 3.34Å; V416-Q419 PolarHBondContact O-N 3.46Å; V416-Q419 VanDerWaalsContact O-N 3.17Å; V416-Y420 PolarHBondContact O-N 2.88Å
417	N	84.7	Confident	80.1	Confident	108 Å²	108	80.6 Å²	80.6	58%	0.578	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-37.7	177.1	-67.8	-10.9	0	0	0	112.4	A413 Y420 A421	A413-N417 VanDerWaalsContact O-CG 3.26Å; A413-N417 PolarHBondContact O-N 2.89Å; N417-Y420 PolarHBondContact O-N 2.83Å; N417-A421 WeakPolarHBondContact O-CB 3.5Å; N417-A421 PolarHBondContact O-N 2.9Å
418	L	82.2	Confident	79.9	Confident	123 Å²	123	83.1 Å²	83.1	64%	0.644	44%	0.44	S	S	*	.	H	α-helix	trans	-67.2	-38.7	173.9	-78.6	170.2	0	0	0	112	A414 E415 V416 A421 D422	A414-L418 VanDerWaalsContact O-CB 3.29Å; A414-L418 WeakPolarHBondContact O-CB 3.23Å; A414-L418 WeakPolarHBondContact O-CG 3.36Å; A414-L418 PolarHBondContact O-N 3.36Å; E415-L418 PolarHBondContact O-N 3.48Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 2.98Å; L418-A421 PolarHBondContact O-N 2.87Å; L418-D422 WeakPolarHBondContact O-CB 3.42Å; L418-D422 PolarHBondContact O-N 2.79Å
419	Q	78.2	Confident	79.6	Confident	109 Å²	109	80.3 Å²	80.3	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-45.9	172.8	-70.9	177.1	34	0	0	110.9	E415 V416 D422 I423	E415-Q419 WeakPolarHBondContact O-CG 3.27Å; E415-Q419 PolarHBondContact O-N 3.32Å; V416-Q419 WeakPolarHBondContact O-CB 3.34Å; V416-Q419 PolarHBondContact O-N 3.46Å; V416-Q419 VanDerWaalsContact O-N 3.17Å; Q419-D422 CarbonylContact O-C 3.49Å; Q419-D422 WeakPolarHBondContact O-CB 3.39Å; Q419-D422 PolarHBondContact O-N 2.88Å; Q419-I423 WeakPolarHBondContact O-CB 3.33Å; Q419-I423 VanDerWaalsContact O-CG1 3.23Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.25Å
420	Y	82	Confident	79.3	Confident	108 Å²	108	79.8 Å²	79.8	42%	0.424	44%	0.44	S	S	.	.	H	α-helix	trans	-59.9	-46.8	175	-175.2	-99	0	0	0	112.1	V416 N417 D422 I423 V424	V416-Y420 PolarHBondContact O-N 2.88Å; N417-Y420 PolarHBondContact O-N 2.83Å; Y420-D422 VanDerWaalsContact C-N 3.31Å; Y420-D422 PolarHBondContact O-N 3.13Å; Y420-I423 CarbonylContact O-C 3.38Å; Y420-I423 WeakPolarHBondContact O-CA 3.18Å; Y420-I423 WeakPolarHBondContact O-CB 3.5Å; Y420-I423 PolarHBondContact O-N 2.82Å; Y420-V424 HydrophobicContact CD1-CG2 4.32Å; Y420-V424 HydrophobicContact CE1-CG2 3.88Å; Y420-V424 PolarHBondContact O-N 2.9Å
421	A	85.9	Confident	79.5	Confident	51 Å²	51	83.9 Å²	83.9	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-38.3	175.5	0	0	0	0	0	112.5	N417 L418 I423 V424 S425	N417-A421 WeakPolarHBondContact O-CB 3.5Å; N417-A421 PolarHBondContact O-N 2.9Å; L418-A421 PolarHBondContact O-N 2.87Å; A421-I423 VanDerWaalsContact C-N 3.3Å; A421-V424 PolarHBondContact O-N 3.21Å; A421-S425 WeakPolarHBondContact O-CB 3.5Å; A421-S425 PolarHBondContact O-N 2.83Å
422	D	81.9	Confident	79.6	Confident	76 Å²	76	84.5 Å²	84.5	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-29	172.3	-112.3	-3.5	0	0	0	112.6	L418 Q419 Y420 K426 K441	L418-D422 WeakPolarHBondContact O-CB 3.42Å; L418-D422 PolarHBondContact O-N 2.79Å; Q419-D422 CarbonylContact O-C 3.49Å; Q419-D422 WeakPolarHBondContact O-CB 3.39Å; Q419-D422 PolarHBondContact O-N 2.88Å; Y420-D422 VanDerWaalsContact C-N 3.31Å; Y420-D422 PolarHBondContact O-N 3.13Å; D422-K426 WeakPolarHBondContact O-CG 3.21Å; D422-K426 PolarHBondContact O-N 3.41Å; D422-K426 WeakPolarHBondContact OD1-CE 3.38Å; D422-K426 IonicContact OD1-NZ 3.81Å; D422-K426 PolarHBondContact OD1-NZ 3.08Å; D422-K426 WeakPolarHBondContact OD2-CE 3.3Å; D422-K426 IonicContact OD2-NZ 3.54Å; D422-K426 PolarHBondContact OD2-NZ 2.72Å; D422-K441 PolarHBondContact O-NZ 3.38Å
423	I	80.2	Confident	80.1	Confident	23 Å²	23	89.1 Å²	89.1	12%	0.118	49%	0.485	C	S	.	.	H	α-helix	trans	-74.8	-33.3	175.1	-73.4	167.4	0	0	0	112	Q419 Y420 A421 I437 F438 K441	Q419-I423 WeakPolarHBondContact O-CB 3.33Å; Q419-I423 VanDerWaalsContact O-CG1 3.23Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.25Å; Y420-I423 CarbonylContact O-C 3.38Å; Y420-I423 WeakPolarHBondContact O-CA 3.18Å; Y420-I423 WeakPolarHBondContact O-CB 3.5Å; Y420-I423 PolarHBondContact O-N 2.82Å; A421-I423 VanDerWaalsContact C-N 3.3Å; I423-I437 HydrophobicContact CG2-CG2 3.88Å; I423-I437 WeakPolarHBondContact O-CG2 3.2Å; I423-F438 HydrophobicContact CD1-CD2 3.7Å; I423-F438 HydrophobicContact CD1-CE2 3.6Å; I423-F438 HydrophobicContact CG2-CB 4.49Å; I423-F438 HydrophobicContact CG2-CD2 4.06Å; I423-K441 VanDerWaalsContact CA-NZ 3.32Å; I423-K441 HydrophobicContact CB-CD 4.06Å; I423-K441 HydrophobicContact CG1-CB 4.29Å; I423-K441 HydrophobicContact CG1-CD 3.9Å; I423-K441 HydrophobicContact CG2-CD 4.1Å; I423-K441 PolarHBondContact O-NZ 2.63Å
424	V	82.3	Confident	80.3	Confident	68 Å²	68	91.5 Å²	91.5	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-77.4	-52.8	169.3	-179	0	0	0	0	110.4	Y420 A421 K426 H427	Y420-V424 HydrophobicContact CD1-CG2 4.32Å; Y420-V424 HydrophobicContact CE1-CG2 3.88Å; Y420-V424 PolarHBondContact O-N 2.9Å; A421-V424 PolarHBondContact O-N 3.21Å; V424-K426 PolarHBondContact O-N 3.03Å; V424-K426 VanDerWaalsContact O-N 3.12Å; V424-H427 WeakPolarHBondContact O-CB 3.33Å; V424-H427 PolarHBondContact O-N 2.86Å
425	S	82.6	Confident	80.6	Confident	83 Å²	83	95.8 Å²	95.8	58%	0.58	51%	0.508	S	S	*	.	H	α-helix	trans	-54.4	-37.9	-171.5	173.8	0	0	0	0	116	A421	A421-S425 WeakPolarHBondContact O-CB 3.5Å; A421-S425 PolarHBondContact O-N 2.83Å
426	K	75.7	Confident	80.8	Confident	118 Å²	118	96.6 Å²	96.6	51%	0.513	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	8.5	-178.6	-39.8	157.5	-173.6	160.2	0	114	D422 V424 K441	D422-K426 WeakPolarHBondContact O-CG 3.21Å; D422-K426 PolarHBondContact O-N 3.41Å; D422-K426 WeakPolarHBondContact OD1-CE 3.38Å; D422-K426 IonicContact OD1-NZ 3.81Å; D422-K426 PolarHBondContact OD1-NZ 3.08Å; D422-K426 WeakPolarHBondContact OD2-CE 3.3Å; D422-K426 IonicContact OD2-NZ 3.54Å; D422-K426 PolarHBondContact OD2-NZ 2.72Å; V424-K426 PolarHBondContact O-N 3.03Å; V424-K426 VanDerWaalsContact O-N 3.12Å; K426-K441 VanDerWaalsContact C-NZ 3.29Å; K426-K441 VanDerWaalsContact CA-NZ 3.34Å; K426-K441 VanDerWaalsContact CB-NZ 3.28Å
427	H	74.4	Confident	81	Confident	53 Å²	53	93.2 Å²	93.2	25%	0.245	49%	0.493	C	S	.	.			trans	-75.3	172.9	176	-172.8	-119.1	0	0	0	111.5	V424 N429 D432 I437	V424-H427 WeakPolarHBondContact O-CB 3.33Å; V424-H427 PolarHBondContact O-N 2.86Å; H427-N429 PolarHBondContact CE1-O 3.32Å; H427-N429 PolarHBondContact ND1-O 2.91Å; H427-D432 IonicContact CD2-OD2 3.97Å; H427-D432 IonicContact CE1-OD2 3.51Å; H427-D432 IonicContact NE2-OD2 2.68Å; H427-D432 PolarHBondContact NE2-OD2 3.36Å; H427-I437 HydrophobicContact CB-CG2 3.98Å; H427-I437 VanDerWaalsContact CE1-CD1 3.48Å; H427-I437 WeakPolarHBondContact CE1-CD1 3.44Å; H427-I437 VanDerWaalsContact CE1-CG1 3.41Å; H427-I437 WeakPolarHBondContact CE1-CG1 3.41Å; H427-I437 WeakPolarHBondContact ND1-CD1 3.2Å
428	K	76.6	Confident	80.8	Confident	174 Å²	174	91.8 Å²	91.8	76%	0.757	48%	0.482	S	S	*	.			trans	-146.8	-25.2	-166.4	-68.4	-179	-172.5	153.3	0	116
429	N	78.9	Confident	80.7	Confident	84 Å²	84	86.7 Å²	86.7	45%	0.449	46%	0.458	S	S	.	.			trans	-106.5	109.5	-172.9	-65.4	-0.8	0	0	0	107.8	H427 N431 D432	H427-N429 PolarHBondContact CE1-O 3.32Å; H427-N429 PolarHBondContact ND1-O 2.91Å; N429-N431 PolarHBondContact O-N 3.43Å; N429-D432 VanDerWaalsContact CB-CG 3.47Å; N429-D432 WeakPolarHBondContact CB-OD1 3.46Å; N429-D432 WeakPolarHBondContact CB-OD2 3.36Å; N429-D432 PolarHBondContact ND2-OD1 3Å; N429-D432 PolarHBondContact ND2-OD2 2.86Å; N429-D432 PolarHBondContact O-N 3.31Å
430	P	79.3	Confident	80.5	Confident	126 Å²	126	84.3 Å²	84.3	82%	0.818	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-0.8	-177.4	26.6	-34.3	0	0	0	115.1
431	N	81	Confident	80.2	Confident	144 Å²	144	80.9 Å²	80.9	77%	0.77	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.4	-174.3	-57.4	16.2	0	0	0	114	N429	N429-N431 PolarHBondContact O-N 3.43Å
432	D	80.8	Confident	79.6	Confident	50 Å²	50	79.2 Å²	79.2	27%	0.267	42%	0.42	S	S	.	.	S	Bend	trans	-82.4	132.5	176.8	-49.2	-7.7	0	0	0	108.6	H427 N429 D436 I437	H427-D432 IonicContact CD2-OD2 3.97Å; H427-D432 IonicContact CE1-OD2 3.51Å; H427-D432 IonicContact NE2-OD2 2.68Å; H427-D432 PolarHBondContact NE2-OD2 3.36Å; N429-D432 VanDerWaalsContact CB-CG 3.47Å; N429-D432 WeakPolarHBondContact CB-OD1 3.46Å; N429-D432 WeakPolarHBondContact CB-OD2 3.36Å; N429-D432 PolarHBondContact ND2-OD1 3Å; N429-D432 PolarHBondContact ND2-OD2 2.86Å; N429-D432 PolarHBondContact O-N 3.31Å; D432-D436 HydrophobicContact CB-CB 4Å; D432-I437 HydrophobicContact CB-CG1 4.12Å
433	D	84.9	Confident	79.1	Confident	119 Å²	119	79.3 Å²	79.3	64%	0.636	42%	0.415	S	S	*	.			trans	-68	159.5	176.9	-76.4	-33	0	0	0	111.9	D435 D436 I437	D433-D435 PolarHBondContact O-N 3.1Å; D433-D435 VanDerWaalsContact O-N 3.07Å; D433-D436 WeakPolarHBondContact O-CB 3.42Å; D433-D436 PolarHBondContact O-N 2.69Å; D433-I437 WeakPolarHBondContact O-CG1 3.46Å; D433-I437 PolarHBondContact O-N 2.76Å
434	L	82.4	Confident	78.8	Confident	100 Å²	100	81.3 Å²	81.3	52%	0.524	42%	0.423	S	S	.	.	H	α-helix	trans	-53.3	-35.7	-176.7	-67.5	176.7	0	0	0	113.1	I437 F438	L434-I437 HydrophobicContact CD2-CD1 4.36Å; L434-I437 PolarHBondContact O-N 3.22Å; L434-F438 WeakPolarHBondContact O-CB 3.48Å; L434-F438 PolarHBondContact O-N 3.37Å
435	D	82.4	Confident	78	Confident	136 Å²	136	82.9 Å²	82.9	73%	0.727	43%	0.425	S	S	*	.	H	α-helix	trans	-68.7	-39.9	177.6	-66.8	-32.6	0	0	0	112.5	D433 F438 A439	D433-D435 PolarHBondContact O-N 3.1Å; D433-D435 VanDerWaalsContact O-N 3.07Å; D435-F438 PolarHBondContact O-N 3.21Å; D435-A439 VanDerWaalsContact O-CB 3.28Å; D435-A439 WeakPolarHBondContact O-CB 3.39Å; D435-A439 PolarHBondContact O-N 2.85Å
436	D	81.3	Confident	77.4	Confident	91 Å²	91	82.3 Å²	82.3	49%	0.487	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-44.4	173.2	-76.9	-32.4	0	0	0	111.1	D432 D433 F438 A439 D440	D432-D436 HydrophobicContact CB-CB 4Å; D433-D436 WeakPolarHBondContact O-CB 3.42Å; D433-D436 PolarHBondContact O-N 2.69Å; D436-F438 PolarHBondContact O-N 2.94Å; D436-A439 PolarHBondContact O-N 3.29Å; D436-D440 WeakPolarHBondContact O-CB 3.35Å; D436-D440 PolarHBondContact O-N 3.36Å
437	I	82.8	Confident	77.3	Confident	14 Å²	14	79.1 Å²	79.1	7%	0.072	41%	0.408	C	S	.	.	H	α-helix	trans	-55.8	-44.3	176.1	-60.9	179.3	0	0	0	110.6	I423 H427 D432 D433 L434 K441	I423-I437 HydrophobicContact CG2-CG2 3.88Å; I423-I437 WeakPolarHBondContact O-CG2 3.2Å; H427-I437 HydrophobicContact CB-CG2 3.98Å; H427-I437 VanDerWaalsContact CE1-CD1 3.48Å; H427-I437 WeakPolarHBondContact CE1-CD1 3.44Å; H427-I437 VanDerWaalsContact CE1-CG1 3.41Å; H427-I437 WeakPolarHBondContact CE1-CG1 3.41Å; H427-I437 WeakPolarHBondContact ND1-CD1 3.2Å; D432-I437 HydrophobicContact CB-CG1 4.12Å; D433-I437 WeakPolarHBondContact O-CG1 3.46Å; D433-I437 PolarHBondContact O-N 2.76Å; L434-I437 HydrophobicContact CD2-CD1 4.36Å; L434-I437 PolarHBondContact O-N 3.22Å; I437-K441 PolarHBondContact O-N 3.13Å
438	F	81	Confident	77.2	Confident	78 Å²	78	79.2 Å²	79.2	34%	0.342	42%	0.418	S	S	.	.	H	α-helix	trans	-66.6	-56.7	178.7	-164.6	-97.6	0	0	0	110.5	F393 I423 L434 D435 D436 D440 K441 V442	F393-F438 HydrophobicContact CE1-CE1 4.23Å; F393-F438 HydrophobicContact CE1-CZ 4.1Å; F393-F438 AromaticContact CZ-CE1 3.93Å; F393-F438 HydrophobicContact CZ-CE1 3.93Å; F393-F438 AromaticContact CZ-CZ 3.97Å; F393-F438 HydrophobicContact CZ-CZ 3.97Å; I423-F438 HydrophobicContact CD1-CD2 3.7Å; I423-F438 HydrophobicContact CD1-CE2 3.6Å; I423-F438 HydrophobicContact CG2-CB 4.49Å; I423-F438 HydrophobicContact CG2-CD2 4.06Å; L434-F438 WeakPolarHBondContact O-CB 3.48Å; L434-F438 PolarHBondContact O-N 3.37Å; D435-F438 PolarHBondContact O-N 3.21Å; D436-F438 PolarHBondContact O-N 2.94Å; F438-D440 VanDerWaalsContact C-N 3.26Å; F438-D440 PolarHBondContact O-N 2.95Å; F438-K441 PolarHBondContact O-N 3.44Å; F438-K441 VanDerWaalsContact O-N 3.09Å; F438-V442 HydrophobicContact CD1-CG2 3.67Å; F438-V442 HydrophobicContact CE1-CG2 3.52Å; F438-V442 HydrophobicContact CE2-CG2 4.4Å; F438-V442 HydrophobicContact CG-CG2 4.19Å; F438-V442 HydrophobicContact CZ-CG2 3.9Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 VanDerWaalsContact O-CG2 3.26Å; F438-V442 WeakPolarHBondContact O-CG2 3.34Å; F438-V442 PolarHBondContact O-N 2.75Å
439	A	79.5	Confident	77.1	Confident	16 Å²	16	73 Å²	73	13%	0.132	40%	0.396	C	S	.	.	H	α-helix	trans	-55.6	-37.8	-179.3	0	0	0	0	0	113	D435 D436 R443	D435-A439 VanDerWaalsContact O-CB 3.28Å; D435-A439 WeakPolarHBondContact O-CB 3.39Å; D435-A439 PolarHBondContact O-N 2.85Å; D436-A439 PolarHBondContact O-N 3.29Å; A439-R443 WeakPolarHBondContact O-CG 3.42Å; A439-R443 PolarHBondContact O-N 3.38Å; A439-R443 PolarHBondContact O-NE 3.39Å
440	D	74.6	Confident	77.1	Confident	58 Å²	58	72.2 Å²	72.2	31%	0.31	39%	0.392	S	S	.	.	H	α-helix	trans	-73.9	-27.4	-178	-152.6	66.8	0	0	0	113.2	K380 D436 F438 K444	K380-D440 WeakPolarHBondContact CE-OD1 3.48Å; K380-D440 WeakPolarHBondContact CE-OD2 3.31Å; K380-D440 IonicContact NZ-OD1 3.52Å; K380-D440 PolarHBondContact NZ-OD1 2.91Å; K380-D440 IonicContact NZ-OD2 3.97Å; K380-D440 PolarHBondContact NZ-OD2 3.26Å; D436-D440 WeakPolarHBondContact O-CB 3.35Å; D436-D440 PolarHBondContact O-N 3.36Å; F438-D440 VanDerWaalsContact C-N 3.26Å; F438-D440 PolarHBondContact O-N 2.95Å; D440-K444 PolarHBondContact O-NZ 2.69Å; D440-K444 IonicContact OD2-NZ 2.53Å; D440-K444 PolarHBondContact OD2-NZ 3.33Å
441	K	75	Confident	77	Confident	36 Å²	36	68.1 Å²	68.1	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-85.5	-40.9	175	-85.3	180	175.1	170.9	0	113.1	D422 I423 K426 I437 F438 R443 K444	D422-K441 PolarHBondContact O-NZ 3.38Å; I423-K441 VanDerWaalsContact CA-NZ 3.32Å; I423-K441 HydrophobicContact CB-CD 4.06Å; I423-K441 HydrophobicContact CG1-CB 4.29Å; I423-K441 HydrophobicContact CG1-CD 3.9Å; I423-K441 HydrophobicContact CG2-CD 4.1Å; I423-K441 PolarHBondContact O-NZ 2.63Å; K426-K441 VanDerWaalsContact C-NZ 3.29Å; K426-K441 VanDerWaalsContact CA-NZ 3.34Å; K426-K441 VanDerWaalsContact CB-NZ 3.28Å; I437-K441 PolarHBondContact O-N 3.13Å; F438-K441 PolarHBondContact O-N 3.44Å; F438-K441 VanDerWaalsContact O-N 3.09Å; K441-R443 PolarHBondContact O-N 3.38Å; K441-K444 VanDerWaalsContact O-CB 3.32Å; K441-K444 WeakPolarHBondContact O-CB 3.47Å; K441-K444 PolarHBondContact O-N 3.29Å
442	V	74.5	Confident	77	Confident	17 Å²	17	64.3 Å²	64.3	10%	0.103	35%	0.346	C	S	.	.	H	α-helix	trans	-58.1	-35.9	177.9	163.6	0	0	0	0	111.9	Y392 F393 A394 F438 K444	Y392-V442 WeakPolarHBondContact O-CG1 3.44Å; F393-V442 HydrophobicContact CB-CG1 3.95Å; F393-V442 HydrophobicContact CD1-CB 4.19Å; F393-V442 HydrophobicContact CD1-CG1 3.43Å; F393-V442 VanDerWaalsContact CD1-CG1 3.43Å; F393-V442 HydrophobicContact CD1-CG2 3.85Å; F393-V442 HydrophobicContact CD2-CG1 4.22Å; F393-V442 HydrophobicContact CE1-CB 4.4Å; F393-V442 HydrophobicContact CE1-CG1 3.9Å; F393-V442 HydrophobicContact CE1-CG2 3.6Å; F393-V442 HydrophobicContact CG-CG1 3.58Å; F393-V442 HydrophobicContact CZ-CG1 4.45Å; F393-V442 HydrophobicContact CZ-CG2 4.35Å; A394-V442 PolarHBondContact N-O 2.8Å; F438-V442 HydrophobicContact CD1-CG2 3.67Å; F438-V442 HydrophobicContact CE1-CG2 3.52Å; F438-V442 HydrophobicContact CE2-CG2 4.4Å; F438-V442 HydrophobicContact CG-CG2 4.19Å; F438-V442 HydrophobicContact CZ-CG2 3.9Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 VanDerWaalsContact O-CG2 3.26Å; F438-V442 WeakPolarHBondContact O-CG2 3.34Å; F438-V442 PolarHBondContact O-N 2.75Å; V442-K444 PolarHBondContact O-N 2.9Å
443	R	71.6	Confident	77.1	Confident	77 Å²	77	66.1 Å²	66.1	29%	0.291	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.8	173.2	-75.8	-174.9	-113.6	-161.8	-1.7	115.3	K380 V381 T383 A439 K441 Q445	K380-R443 CarbonylContact C-O 3.58Å; K380-R443 VanDerWaalsContact CA-O 3.26Å; K380-R443 WeakPolarHBondContact CA-O 3.21Å; K380-R443 HydrophobicContact CB-CB 4.16Å; K380-R443 HydrophobicContact CG-CB 4.24Å; V381-R443 PolarHBondContact N-O 3.28Å; T383-R443 HydrophobicContact CG2-CG 3.55Å; A439-R443 WeakPolarHBondContact O-CG 3.42Å; A439-R443 PolarHBondContact O-N 3.38Å; A439-R443 PolarHBondContact O-NE 3.39Å; K441-R443 PolarHBondContact O-N 3.38Å; R443-Q445 PolarHBondContact O-N 3.04Å
444	K	73.1	Confident	77	Confident	66 Å²	66	66.7 Å²	66.7	29%	0.287	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-77.5	119.7	-172.8	-64.3	177.6	173.2	74.4	0	110.4	D440 K441 V442 I446	D440-K444 PolarHBondContact O-NZ 2.69Å; D440-K444 IonicContact OD2-NZ 2.53Å; D440-K444 PolarHBondContact OD2-NZ 3.33Å; K441-K444 VanDerWaalsContact O-CB 3.32Å; K441-K444 WeakPolarHBondContact O-CB 3.47Å; K441-K444 PolarHBondContact O-N 3.29Å; V442-K444 PolarHBondContact O-N 2.9Å; K444-I446 PolarHBondContact O-N 3.26Å
445	Q	65.8	Low	77	Confident	100 Å²	100	64.4 Å²	64.4	47%	0.467	33%	0.331	S	S	.	.			trans	-56.8	111.5	173.1	-74.6	-166.4	-25.4	0	0	111.4	K379 V381 A394 R443	K379-Q445 PolarHBondContact O-N 3.06Å; K379-Q445 VanDerWaalsContact O-N 3.1Å; V381-Q445 HydrophobicContact CG2-CB 4.47Å; V381-Q445 HydrophobicContact CG2-CG 3.2Å; A394-Q445 HydrophobicContact CB-CG 4.44Å; R443-Q445 PolarHBondContact O-N 3.04Å
446	I	70.4	Confident	77.2	Confident	72 Å²	72	60.8 Å²	60.8	37%	0.369	31%	0.311	S	S	.	.			trans	-89.2	120.4	159	-60	168.1	0	0	0	105.8	R398 K444 D450 A451	R398-I446 PolarHBondContact NH1-O 2.7Å; R398-I446 PolarHBondContact NH2-O 3.26Å; R398-I446 VanDerWaalsContact NH2-O 3.1Å; K444-I446 PolarHBondContact O-N 3.26Å; I446-D450 HydrophobicContact CG2-CB 4.29Å; I446-A451 HydrophobicContact CG2-CB 4.08Å
447	S	72.4	Confident	77.6	Confident	50 Å²	50	61 Å²	61	35%	0.35	31%	0.309	S	S	.	.			trans	-66.1	144	173	75.2	0	0	0	0	109.1	S449 D450 A451	S447-S449 PolarHBondContact O-N 2.7Å; S447-D450 PolarHBondContact O-N 2.72Å; S447-D450 VanDerWaalsContact OG-CB 3.29Å; S447-D450 WeakPolarHBondContact OG-CB 3.45Å; S447-D450 PolarHBondContact OG-N 3.1Å; S447-D450 PolarHBondContact OG-OD2 3.04Å; S447-A451 PolarHBondContact O-N 3.47Å; S447-A451 VanDerWaalsContact O-N 3.08Å
448	A	73.2	Confident	77.8	Confident	55 Å²	55	63.6 Å²	63.6	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-54.4	-44.9	178.3	0	0	0	0	0	110.7	D450 A451 E452	A448-D450 VanDerWaalsContact C-N 3.33Å; A448-D450 PolarHBondContact O-N 3.03Å; A448-A451 WeakPolarHBondContact O-CA 3.26Å; A448-A451 WeakPolarHBondContact O-CB 3.1Å; A448-A451 PolarHBondContact O-N 2.97Å; A448-E452 WeakPolarHBondContact O-CG 3.43Å; A448-E452 PolarHBondContact O-N 2.91Å
449	S	75	Confident	78.2	Confident	43 Å²	43	60.1 Å²	60.1	30%	0.301	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-36.6	174.6	-161.2	0	0	0	0	113.9	S447 K453	S447-S449 PolarHBondContact O-N 2.7Å; S449-K453 WeakPolarHBondContact O-CB 3.2Å; S449-K453 VanDerWaalsContact O-CD 3.24Å; S449-K453 WeakPolarHBondContact O-CD 3.44Å; S449-K453 WeakPolarHBondContact O-CG 3.48Å; S449-K453 PolarHBondContact O-N 3.22Å; S449-K453 WeakPolarHBondContact OG-CE 3.42Å; S449-K453 PolarHBondContact OG-NZ 2.9Å
450	D	78.1	Confident	78.8	Confident	68 Å²	68	62.3 Å²	62.3	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-71.8	-27.8	173.8	-75.3	-50.3	0	0	0	112.9	I446 S447 A448 R454	I446-D450 HydrophobicContact CG2-CB 4.29Å; S447-D450 PolarHBondContact O-N 2.72Å; S447-D450 VanDerWaalsContact OG-CB 3.29Å; S447-D450 WeakPolarHBondContact OG-CB 3.45Å; S447-D450 PolarHBondContact OG-N 3.1Å; S447-D450 PolarHBondContact OG-OD2 3.04Å; A448-D450 VanDerWaalsContact C-N 3.33Å; A448-D450 PolarHBondContact O-N 3.03Å; D450-R454 VanDerWaalsContact O-CG 3.24Å; D450-R454 WeakPolarHBondContact O-CG 3.13Å; D450-R454 PolarHBondContact O-N 3.35Å; D450-R454 PolarHBondContact O-NE 2.88Å
451	A	77.2	Confident	79.6	Confident	40 Å²	40	66.5 Å²	66.5	33%	0.331	33%	0.334	S	S	.	.	H	α-helix	trans	-74.6	-50.6	174.8	0	0	0	0	0	110.8	I446 S447 A448 K453 R454 E455	I446-A451 HydrophobicContact CG2-CB 4.08Å; S447-A451 PolarHBondContact O-N 3.47Å; S447-A451 VanDerWaalsContact O-N 3.08Å; A448-A451 WeakPolarHBondContact O-CA 3.26Å; A448-A451 WeakPolarHBondContact O-CB 3.1Å; A448-A451 PolarHBondContact O-N 2.97Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3.48Å; A451-R454 WeakPolarHBondContact O-CA 3.19Å; A451-R454 WeakPolarHBondContact O-CB 3.42Å; A451-R454 PolarHBondContact O-N 3.49Å; A451-E455 PolarHBondContact O-N 3.46Å
452	E	80.7	Confident	80.3	Confident	65 Å²	65	66.8 Å²	66.8	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-42.4	175.1	-67.8	175.7	152.4	0	0	111.6	S361 A448 R454 E455 M456	S361-E452 WeakPolarHBondContact CB-OE1 3.45Å; S361-E452 PolarHBondContact OG-OE1 3.3Å; A448-E452 WeakPolarHBondContact O-CG 3.43Å; A448-E452 PolarHBondContact O-N 2.91Å; E452-R454 VanDerWaalsContact C-N 3.27Å; E452-R454 PolarHBondContact O-N 2.92Å; E452-E455 PolarHBondContact O-N 2.98Å; E452-M456 VanDerWaalsContact O-CB 3.26Å; E452-M456 WeakPolarHBondContact O-CB 3.43Å; E452-M456 PolarHBondContact O-N 3.06Å
453	K	83.3	Confident	81.2	Confident	87 Å²	87	68.7 Å²	68.7	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-32	174.2	-77.6	165	-177.2	143.6	0	112.9	S449 A451 Q457	S449-K453 WeakPolarHBondContact O-CB 3.2Å; S449-K453 VanDerWaalsContact O-CD 3.24Å; S449-K453 WeakPolarHBondContact O-CD 3.44Å; S449-K453 WeakPolarHBondContact O-CG 3.48Å; S449-K453 PolarHBondContact O-N 3.22Å; S449-K453 WeakPolarHBondContact OG-CE 3.42Å; S449-K453 PolarHBondContact OG-NZ 2.9Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 3.48Å; K453-Q457 VanDerWaalsContact O-CB 3.31Å; K453-Q457 WeakPolarHBondContact O-CB 3.22Å; K453-Q457 WeakPolarHBondContact O-CG 3.37Å; K453-Q457 PolarHBondContact O-N 3.13Å
454	R	82	Confident	82.2	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.498	36%	0.356	S	S	.	.	H	α-helix	trans	-74.5	-44.5	174.3	-72.2	170.2	-149	167.2	8.3	111.6	D450 A451 E452 Q457 S458	D450-R454 VanDerWaalsContact O-CG 3.24Å; D450-R454 WeakPolarHBondContact O-CG 3.13Å; D450-R454 PolarHBondContact O-N 3.35Å; D450-R454 PolarHBondContact O-NE 2.88Å; A451-R454 WeakPolarHBondContact O-CA 3.19Å; A451-R454 WeakPolarHBondContact O-CB 3.42Å; A451-R454 PolarHBondContact O-N 3.49Å; E452-R454 VanDerWaalsContact C-N 3.27Å; E452-R454 PolarHBondContact O-N 2.92Å; R454-Q457 PolarHBondContact O-N 2.9Å; R454-S458 WeakPolarHBondContact O-CB 3.39Å; R454-S458 PolarHBondContact O-N 3.18Å
455	E	82.9	Confident	83.1	Confident	51 Å²	51	74.7 Å²	74.7	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-44.8	177.9	-161.7	176.9	-176.7	0	0	110.4	K348 R356 L358 A451 E452 Q457 S458 A459	K348-E455 IonicContact NZ-OE1 3.79Å; R356-E455 IonicContact NH2-OE1 3.45Å; R356-E455 PolarHBondContact NH2-OE1 2.93Å; L358-E455 HydrophobicContact CD1-CB 4.27Å; L358-E455 HydrophobicContact CD1-CG 3.58Å; A451-E455 PolarHBondContact O-N 3.46Å; E452-E455 PolarHBondContact O-N 2.98Å; E455-Q457 PolarHBondContact O-N 3.12Å; E455-S458 WeakPolarHBondContact O-CB 3.11Å; E455-S458 PolarHBondContact O-N 3.38Å; E455-S458 VanDerWaalsContact O-N 3.14Å; E455-A459 PolarHBondContact O-N 3.4Å
456	M	87.3	Confident	84.3	Confident	61 Å²	61	72.1 Å²	72.1	30%	0.3	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-46.6	172.9	-173.9	-178.5	70.2	0	0	112.6	L346 L358 E452 S458 A459 I460	L346-M456 HydrophobicContact CD1-CG 3.83Å; L358-M456 HydrophobicContact CD2-CB 4.06Å; L358-M456 HydrophobicContact CD2-CG 4.43Å; E452-M456 VanDerWaalsContact O-CB 3.26Å; E452-M456 WeakPolarHBondContact O-CB 3.43Å; E452-M456 PolarHBondContact O-N 3.06Å; M456-S458 VanDerWaalsContact C-N 3.28Å; M456-S458 PolarHBondContact O-N 3.13Å; M456-A459 PolarHBondContact O-N 3.2Å; M456-I460 HydrophobicContact CG-CD1 4.01Å; M456-I460 VanDerWaalsContact O-CG1 3.25Å; M456-I460 WeakPolarHBondContact O-CG1 3.49Å; M456-I460 PolarHBondContact O-N 2.83Å
457	Q	89.2	Confident	85.3	Confident	96 Å²	96	71.2 Å²	71.2	45%	0.449	36%	0.361	S	S	.	.	H	α-helix	trans	-64.5	-31.9	175.4	-78.5	177.9	14.7	0	0	112.8	K453 R454 E455 R461	K453-Q457 VanDerWaalsContact O-CB 3.31Å; K453-Q457 WeakPolarHBondContact O-CB 3.22Å; K453-Q457 WeakPolarHBondContact O-CG 3.37Å; K453-Q457 PolarHBondContact O-N 3.13Å; R454-Q457 PolarHBondContact O-N 2.9Å; E455-Q457 PolarHBondContact O-N 3.12Å; Q457-R461 VanDerWaalsContact O-CG 3.25Å; Q457-R461 WeakPolarHBondContact O-CG 3.34Å; Q457-R461 PolarHBondContact O-N 3.28Å
458	S	87.7	Confident	86.3	Confident	68 Å²	68	71 Å²	71	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-68.6	-48.4	174.6	-163.6	0	0	0	0	110.9	R454 E455 M456 I460 R461 E462	R454-S458 WeakPolarHBondContact O-CB 3.39Å; R454-S458 PolarHBondContact O-N 3.18Å; E455-S458 WeakPolarHBondContact O-CB 3.11Å; E455-S458 PolarHBondContact O-N 3.38Å; E455-S458 VanDerWaalsContact O-N 3.14Å; M456-S458 VanDerWaalsContact C-N 3.28Å; M456-S458 PolarHBondContact O-N 3.13Å; S458-I460 VanDerWaalsContact C-N 3.34Å; S458-I460 PolarHBondContact O-N 3.11Å; S458-R461 PolarHBondContact O-N 2.82Å; S458-E462 WeakPolarHBondContact O-CB 3.33Å; S458-E462 PolarHBondContact O-N 2.78Å
459	A	89.4	Confident	87.2	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-38.7	177.2	0	0	0	0	0	112.5	L346 L358 E455 M456 E462 H463	L346-A459 HydrophobicContact CB-CB 4.18Å; L358-A459 HydrophobicContact CD2-CB 4.16Å; E455-A459 PolarHBondContact O-N 3.4Å; M456-A459 PolarHBondContact O-N 3.2Å; A459-E462 PolarHBondContact O-N 2.92Å; A459-H463 WeakPolarHBondContact O-CB 3.25Å; A459-H463 PolarHBondContact O-N 2.87Å
460	I	92	Very high	88.1	Confident	63 Å²	63	71.3 Å²	71.3	32%	0.323	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-50.1	172.9	-69.8	163.5	0	0	0	110.7	L346 M456 S458 E462 H463 E464	L346-I460 HydrophobicContact CD1-CG1 3.97Å; L346-I460 HydrophobicContact CD2-CG1 3.84Å; M456-I460 HydrophobicContact CG-CD1 4.01Å; M456-I460 VanDerWaalsContact O-CG1 3.25Å; M456-I460 WeakPolarHBondContact O-CG1 3.49Å; M456-I460 PolarHBondContact O-N 2.83Å; S458-I460 VanDerWaalsContact C-N 3.34Å; S458-I460 PolarHBondContact O-N 3.11Å; I460-E462 VanDerWaalsContact C-N 3.29Å; I460-E462 PolarHBondContact O-N 2.85Å; I460-H463 PolarHBondContact O-N 2.88Å; I460-E464 HydrophobicContact CG2-CG 4.38Å; I460-E464 WeakPolarHBondContact O-CG 3.3Å; I460-E464 PolarHBondContact O-N 2.93Å
461	R	91.9	Very high	88.7	Confident	146 Å²	146	73 Å²	73	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-63.8	-34.5	178.6	-68.9	170	-165.9	176.1	6.2	112.7	Q457 S458 K465	Q457-R461 VanDerWaalsContact O-CG 3.25Å; Q457-R461 WeakPolarHBondContact O-CG 3.34Å; Q457-R461 PolarHBondContact O-N 3.28Å; S458-R461 PolarHBondContact O-N 2.82Å; R461-K465 WeakPolarHBondContact O-CB 3.36Å; R461-K465 VanDerWaalsContact O-CG 3.23Å; R461-K465 WeakPolarHBondContact O-CG 3.42Å; R461-K465 PolarHBondContact O-N 3Å; R461-K465 VanDerWaalsContact O-N 3.1Å
462	E	89.2	Confident	89.5	Confident	42 Å²	42	75.2 Å²	75.2	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-68	-43.9	176	-169.8	-176.6	153.7	0	0	110.9	V349 S458 A459 I460 K465 L466 R561	V349-E462 VanDerWaalsContact CG2-OE1 3.3Å; V349-E462 WeakPolarHBondContact CG2-OE1 3.39Å; S458-E462 WeakPolarHBondContact O-CB 3.33Å; S458-E462 PolarHBondContact O-N 2.78Å; A459-E462 PolarHBondContact O-N 2.92Å; I460-E462 VanDerWaalsContact C-N 3.29Å; I460-E462 PolarHBondContact O-N 2.85Å; E462-K465 PolarHBondContact O-N 2.83Å; E462-L466 WeakPolarHBondContact O-CB 3.4Å; E462-L466 PolarHBondContact O-N 3.47Å; E462-R561 IonicContact OE1-CZ 2.82Å; E462-R561 IonicContact OE1-NH1 3.52Å; E462-R561 IonicContact OE1-NH2 2.66Å; E462-R561 PolarHBondContact OE1-NH2 3.41Å
463	H	92.1	Very high	90.1	Very high	56 Å²	56	72.8 Å²	72.8	26%	0.259	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-46.5	174.4	178.4	74.7	0	0	0	112.3	V344 A459 I460 K465 L466 V467	V344-H463 WeakPolarHBondContact CG1-CE1 3.31Å; V344-H463 WeakPolarHBondContact CG1-NE2 3.13Å; A459-H463 WeakPolarHBondContact O-CB 3.25Å; A459-H463 PolarHBondContact O-N 2.87Å; I460-H463 PolarHBondContact O-N 2.88Å; H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 2.91Å; H463-L466 PolarHBondContact O-N 2.78Å; H463-V467 VanDerWaalsContact CE1-CG2 3.47Å; H463-V467 WeakPolarHBondContact CE1-CG2 3.33Å; H463-V467 WeakPolarHBondContact NE2-CG2 3.37Å; H463-V467 WeakPolarHBondContact O-CG2 3.41Å; H463-V467 PolarHBondContact O-N 3.08Å
464	E	93.3	Very high	90.6	Very high	119 Å²	119	74 Å²	74	56%	0.556	37%	0.367	S	S	*	.	H	α-helix	trans	-55.8	-43	174.8	-74.6	173.6	162.6	0	0	111.7	I460 A468	I460-E464 HydrophobicContact CG2-CG 4.38Å; I460-E464 WeakPolarHBondContact O-CG 3.3Å; I460-E464 PolarHBondContact O-N 2.93Å; E464-A468 VanDerWaalsContact O-CB 3.28Å; E464-A468 WeakPolarHBondContact O-CB 3.49Å; E464-A468 PolarHBondContact O-N 3.15Å
465	K	92.2	Very high	91.2	Very high	150 Å²	150	71.2 Å²	71.2	65%	0.652	36%	0.356	S	S	*	.	H	α-helix	trans	-64.7	-42.9	173.7	-74.9	171.4	-179.9	-176.3	0	112.1	R461 E462 H463 A468 T469	R461-K465 WeakPolarHBondContact O-CB 3.36Å; R461-K465 VanDerWaalsContact O-CG 3.23Å; R461-K465 WeakPolarHBondContact O-CG 3.42Å; R461-K465 PolarHBondContact O-N 3Å; R461-K465 VanDerWaalsContact O-N 3.1Å; E462-K465 PolarHBondContact O-N 2.83Å; H463-K465 VanDerWaalsContact C-N 3.29Å; H463-K465 PolarHBondContact O-N 2.91Å; K465-A468 PolarHBondContact O-N 2.93Å; K465-T469 PolarHBondContact O-N 3.06Å; K465-T469 PolarHBondContact O-OG1 3.15Å; K465-T469 VanDerWaalsContact O-OG1 3.07Å
466	L	90.5	Very high	91.7	Very high	46 Å²	46	69.2 Å²	69.2	24%	0.241	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-47.9	179.4	179.2	61	0	0	0	111.4	E462 H463 A468 T469 L470	E462-L466 WeakPolarHBondContact O-CB 3.4Å; E462-L466 PolarHBondContact O-N 3.47Å; H463-L466 PolarHBondContact O-N 2.78Å; L466-A468 VanDerWaalsContact C-N 3.34Å; L466-A468 PolarHBondContact O-N 3.01Å; L466-T469 WeakPolarHBondContact O-CB 3.45Å; L466-T469 PolarHBondContact O-N 2.81Å; L466-T469 VanDerWaalsContact O-N 3.09Å; L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.25Å; L466-L470 HydrophobicContact CG-CD1 4.04Å; L466-L470 HydrophobicContact CG-CG 4.45Å; L466-L470 VanDerWaalsContact O-CG 3.31Å; L466-L470 WeakPolarHBondContact O-CG 3.3Å; L466-L470 PolarHBondContact O-N 3.28Å
467	V	92.2	Very high	91.8	Very high	53 Å²	53	68.5 Å²	68.5	32%	0.321	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-47.8	174.9	173.4	0	0	0	0	110.3	H463 T469 L470 D471	H463-V467 VanDerWaalsContact CE1-CG2 3.47Å; H463-V467 WeakPolarHBondContact CE1-CG2 3.33Å; H463-V467 WeakPolarHBondContact NE2-CG2 3.37Å; H463-V467 WeakPolarHBondContact O-CG2 3.41Å; H463-V467 PolarHBondContact O-N 3.08Å; V467-T469 VanDerWaalsContact C-N 3.26Å; V467-T469 PolarHBondContact O-N 2.62Å; V467-L470 PolarHBondContact O-N 3.08Å; V467-L470 VanDerWaalsContact O-N 3.17Å; V467-D471 WeakPolarHBondContact O-CB 3.34Å; V467-D471 PolarHBondContact O-N 3.38Å
468	A	92.8	Very high	91.8	Very high	45 Å²	45	71.3 Å²	71.3	37%	0.372	36%	0.361	S	S	.	.	H	α-helix	trans	-59.4	-34.8	175.4	0	0	0	0	0	112.7	E464 K465 L466 N472	E464-A468 VanDerWaalsContact O-CB 3.28Å; E464-A468 WeakPolarHBondContact O-CB 3.49Å; E464-A468 PolarHBondContact O-N 3.15Å; K465-A468 PolarHBondContact O-N 2.93Å; L466-A468 VanDerWaalsContact C-N 3.34Å; L466-A468 PolarHBondContact O-N 3.01Å; A468-N472 WeakPolarHBondContact O-CB 3.21Å; A468-N472 PolarHBondContact O-N 3.47Å; A468-N472 PolarHBondContact O-ND2 3.31Å
469	T	92.8	Very high	91.9	Very high	42 Å²	42	68.5 Å²	68.5	26%	0.258	34%	0.341	S	S	.	.	H	α-helix	trans	-69.7	-45.4	174.1	-63.9	0	0	0	0	111.8	K465 L466 V467 N472 C473 R561	K465-T469 PolarHBondContact O-N 3.06Å; K465-T469 PolarHBondContact O-OG1 3.15Å; K465-T469 VanDerWaalsContact O-OG1 3.07Å; L466-T469 WeakPolarHBondContact O-CB 3.45Å; L466-T469 PolarHBondContact O-N 2.81Å; L466-T469 VanDerWaalsContact O-N 3.09Å; V467-T469 VanDerWaalsContact C-N 3.26Å; V467-T469 PolarHBondContact O-N 2.62Å; T469-N472 CarbonylContact O-C 3.48Å; T469-N472 PolarHBondContact O-N 2.85Å; T469-C473 VanDerWaalsContact O-CB 3.3Å; T469-C473 WeakPolarHBondContact O-CB 3.3Å; T469-C473 PolarHBondContact O-N 3.41Å; T469-R561 WeakPolarHBondContact CG2-O 3.2Å
470	L	92.4	Very high	91.9	Very high	63 Å²	63	73.5 Å²	73.5	33%	0.33	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-48.5	-179.6	-67.9	170.2	0	0	0	111.9	L466 V467 N472 C473 H516	L466-L470 HydrophobicContact CD1-CD1 4.27Å; L466-L470 HydrophobicContact CD1-CG 4.25Å; L466-L470 HydrophobicContact CG-CD1 4.04Å; L466-L470 HydrophobicContact CG-CG 4.45Å; L466-L470 VanDerWaalsContact O-CG 3.31Å; L466-L470 WeakPolarHBondContact O-CG 3.3Å; L466-L470 PolarHBondContact O-N 3.28Å; V467-L470 PolarHBondContact O-N 3.08Å; V467-L470 VanDerWaalsContact O-N 3.17Å; L470-N472 PolarHBondContact O-N 2.91Å; L470-C473 PolarHBondContact O-N 3.11Å; L470-H516 HydrophobicContact CD2-CB 3.42Å; L470-H516 VanDerWaalsContact CD2-CB 3.42Å
471	D	91.7	Very high	91.9	Very high	104 Å²	104	75.4 Å²	75.4	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-60.1	-33.9	177	-74.8	-14.9	0	0	0	112.2	V467	V467-D471 WeakPolarHBondContact O-CB 3.34Å; V467-D471 PolarHBondContact O-N 3.38Å
472	N	93.1	Very high	91.9	Very high	87 Å²	87	69.3 Å²	69.3	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-97.2	0.7	-177.8	-71.5	-69.5	0	0	0	114.6	A468 T469 L470 K481	A468-N472 WeakPolarHBondContact O-CB 3.21Å; A468-N472 PolarHBondContact O-N 3.47Å; A468-N472 PolarHBondContact O-ND2 3.31Å; T469-N472 CarbonylContact O-C 3.48Å; T469-N472 PolarHBondContact O-N 2.85Å; L470-N472 PolarHBondContact O-N 2.91Å; N472-K481 WeakPolarHBondContact O-CD 3.24Å; N472-K481 PolarHBondContact O-NZ 2.84Å; N472-K481 WeakPolarHBondContact OD1-CE 3.2Å; N472-K481 PolarHBondContact OD1-NZ 2.66Å
473	C	94.1	Very high	92	Very high	14 Å²	14	70.2 Å²	70.2	10%	0.095	37%	0.373	C	S	.	.			trans	-73.8	136.3	-177.5	-175.4	0	0	0	0	111.4	T469 L470 R475 C476 S479 H563	T469-C473 VanDerWaalsContact O-CB 3.3Å; T469-C473 WeakPolarHBondContact O-CB 3.3Å; T469-C473 PolarHBondContact O-N 3.41Å; L470-C473 PolarHBondContact O-N 3.11Å; C473-R475 VanDerWaalsContact C-N 3.32Å; C473-R475 PolarHBondContact SG-N 2.94Å; C473-R475 VanDerWaalsContact SG-N 3.36Å; C473-C476 HydrophobicContact CB-CB 3.92Å; C473-C476 PolarHBondContact SG-N 3.32Å; C473-C476 VanDerWaalsContact SG-N 3.39Å; C473-S479 VanDerWaalsContact O-CB 3.24Å; C473-S479 WeakPolarHBondContact O-CB 3.47Å; C473-S479 PolarHBondContact O-OG 2.85Å; C473-H563 PolarHBondContact SG-ND1 3.11Å; C473-H563 VanDerWaalsContact SG-ND1 3.38Å
474	E	93.1	Very high	91.9	Very high	113 Å²	113	72 Å²	72	53%	0.528	38%	0.38	S	S	.	.	S	Bend	trans	-84.6	-5.7	177.4	-61.5	179.8	178	0	0	113.1	L482	E474-L482 VanDerWaalsContact O-CD1 3.3Å; E474-L482 WeakPolarHBondContact O-CD1 3.36Å
475	R	94.3	Very high	91.8	Very high	72 Å²	72	70.4 Å²	70.4	27%	0.272	37%	0.372	S	S	.	.	S	Bend	trans	-123.4	-15	-171.8	-64.3	175.6	-174.1	159.9	-8.5	114.4	C473 F477 Y495 H563 S565	C473-R475 VanDerWaalsContact C-N 3.32Å; C473-R475 PolarHBondContact SG-N 2.94Å; C473-R475 VanDerWaalsContact SG-N 3.36Å; R475-F477 PolarHBondContact O-N 3.41Å; R475-Y495 WeakPolarHBondContact CA-OH 3.43Å; R475-Y495 PolarHBondContact O-OH 2.94Å; R475-H563 VanDerWaalsContact C-CE1 3.48Å; R475-H563 HydrophobicContact CB-CB 4.01Å; R475-H563 PolarHBondContact NH1-O 3.01Å; R475-H563 PolarHBondContact O-CE1 2.67Å; R475-S565 VanDerWaalsContact CZ-OG 3.24Å; R475-S565 PolarHBondContact NH1-OG 3.42Å; R475-S565 PolarHBondContact NH2-OG 2.66Å; R475-S565 VanDerWaalsContact NH2-OG 3.15Å
476	C	93.4	Very high	91.9	Very high	10 Å²	10	64 Å²	64	7%	0.068	35%	0.345	C	S	.	.			trans	-64.2	127	172.2	-85.4	0	0	0	0	110.5	C473 D478 S479 H516 H563	C473-C476 HydrophobicContact CB-CB 3.92Å; C473-C476 PolarHBondContact SG-N 3.32Å; C473-C476 VanDerWaalsContact SG-N 3.39Å; C476-D478 PolarHBondContact O-N 3.14Å; C476-S479 WeakPolarHBondContact O-CB 3.34Å; C476-S479 PolarHBondContact O-N 3.05Å; C476-S479 PolarHBondContact O-OG 2.81Å; C476-H516 PolarHBondContact SG-ND1 3.05Å; C476-H563 PolarHBondContact N-ND1 2.61Å
477	F	90.4	Very high	92	Very high	46 Å²	46	61.9 Å²	61.9	20%	0.202	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.4	-178.4	-173.2	-95.6	0	0	0	113.5	L61 R475 L482 L487 L490 L514	L61-F477 HydrophobicContact CD2-CE2 3.68Å; L61-F477 HydrophobicContact CD2-CZ 3.59Å; R475-F477 PolarHBondContact O-N 3.41Å; F477-L482 HydrophobicContact CD2-CD2 4.33Å; F477-L487 HydrophobicContact CE2-CD1 4.41Å; F477-L490 HydrophobicContact CD2-CD1 4.16Å; F477-L490 HydrophobicContact CE2-CD1 3.76Å; F477-L514 HydrophobicContact CB-CD2 4.06Å; F477-L514 HydrophobicContact CD2-CD2 3.81Å; F477-L514 HydrophobicContact CG-CD2 4.01Å
478	D	88.3	Confident	92.1	Very high	154 Å²	154	59.4 Å²	59.4	82%	0.824	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.6	179	-62.1	-41.2	0	0	0	113.7	C476	C476-D478 PolarHBondContact O-N 3.14Å
479	S	90.4	Very high	92.2	Very high	10 Å²	10	57.4 Å²	57.4	7%	0.07	30%	0.302	C	S	.	.			trans	-68.8	149.6	179.6	71.3	0	0	0	0	112.1	C473 C476 K481 L482	C473-S479 VanDerWaalsContact O-CB 3.24Å; C473-S479 WeakPolarHBondContact O-CB 3.47Å; C473-S479 PolarHBondContact O-OG 2.85Å; C476-S479 WeakPolarHBondContact O-CB 3.34Å; C476-S479 PolarHBondContact O-N 3.05Å; C476-S479 PolarHBondContact O-OG 2.81Å; S479-K481 PolarHBondContact O-N 3.47Å; S479-L482 WeakPolarHBondContact OG-CB 3.43Å; S479-L482 PolarHBondContact OG-N 3.15Å; S479-L482 VanDerWaalsContact OG-N 3.14Å
480	A	89.7	Confident	92.2	Very high	108 Å²	108	56.2 Å²	56.2	89%	0.893	29%	0.294	S	S	*	.	S	Bend	trans	-75.5	-11.7	171.2	0	0	0	0	0	113.3
481	K	91.8	Very high	92.2	Very high	103 Å²	103	53.4 Å²	53.4	45%	0.448	28%	0.281	S	S	.	.	S	Bend	trans	-96.5	-18.2	-176.6	-66.2	-164	-170.1	172.5	0	114.8	N472 S479 D483	N472-K481 WeakPolarHBondContact O-CD 3.24Å; N472-K481 PolarHBondContact O-NZ 2.84Å; N472-K481 WeakPolarHBondContact OD1-CE 3.2Å; N472-K481 PolarHBondContact OD1-NZ 2.66Å; S479-K481 PolarHBondContact O-N 3.47Å; K481-D483 PolarHBondContact O-N 2.95Å; K481-D483 VanDerWaalsContact O-N 3.16Å
482	L	92.2	Very high	92.3	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	29%	0.291	C	S	.	.			trans	-58.8	118.5	174.9	171.5	62.6	0	0	0	110.3	E474 F477 S479 K484	E474-L482 VanDerWaalsContact O-CD1 3.3Å; E474-L482 WeakPolarHBondContact O-CD1 3.36Å; F477-L482 HydrophobicContact CD2-CD2 4.33Å; S479-L482 WeakPolarHBondContact OG-CB 3.43Å; S479-L482 PolarHBondContact OG-N 3.15Å; S479-L482 VanDerWaalsContact OG-N 3.14Å; L482-K484 HydrophobicContact CD2-CG 4.38Å; L482-K484 HydrophobicContact CG-CG 4.24Å; L482-K484 PolarHBondContact O-N 3.09Å
483	D	90.8	Very high	92.3	Very high	61 Å²	61	54 Å²	54	33%	0.326	28%	0.281	S	S	.	.			trans	-74.8	92.2	171.3	-168.7	-9.5	0	0	0	110	K481 Q485 L486	K481-D483 PolarHBondContact O-N 2.95Å; K481-D483 VanDerWaalsContact O-N 3.16Å; D483-Q485 PolarHBondContact O-N 3.38Å; D483-Q485 VanDerWaalsContact OD1-CB 3.24Å; D483-Q485 WeakPolarHBondContact OD1-CB 3.31Å; D483-Q485 WeakPolarHBondContact OD1-CG 3.27Å; D483-Q485 PolarHBondContact OD1-N 3.07Å; D483-L486 HydrophobicContact CB-CD1 3.98Å; D483-L486 HydrophobicContact CB-CG 4.3Å; D483-L486 PolarHBondContact O-N 2.86Å; D483-L486 VanDerWaalsContact O-N 3.09Å
484	K	90.5	Very high	92.4	Very high	95 Å²	95	53.3 Å²	53.3	41%	0.413	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15.4	-179.6	-60.5	-173.3	-179	-169.3	0	112.8	W52 L482 L486 L487	W52-K484 WeakPolarHBondContact CH2-O 3.49Å; L482-K484 HydrophobicContact CD2-CG 4.38Å; L482-K484 HydrophobicContact CG-CG 4.24Å; L482-K484 PolarHBondContact O-N 3.09Å; K484-L486 PolarHBondContact O-N 3.27Å; K484-L487 HydrophobicContact CB-CD1 4.15Å; K484-L487 HydrophobicContact CG-CD1 4.34Å; K484-L487 PolarHBondContact O-N 3.48Å
485	Q	91	Very high	92.5	Very high	84 Å²	84	48 Å²	48	39%	0.393	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.6	-17.4	175.6	-57.2	-175.4	0.4	0	0	113.2	W52 D483 V672	W52-Q485 VanDerWaalsContact CH2-CA 3.48Å; W52-Q485 WeakPolarHBondContact CH2-O 3.34Å; W52-Q485 HydrophobicContact CZ2-CB 4.4Å; W52-Q485 WeakPolarHBondContact CZ3-O 3.29Å; D483-Q485 PolarHBondContact O-N 3.38Å; D483-Q485 VanDerWaalsContact OD1-CB 3.24Å; D483-Q485 WeakPolarHBondContact OD1-CB 3.31Å; D483-Q485 WeakPolarHBondContact OD1-CG 3.27Å; D483-Q485 PolarHBondContact OD1-N 3.07Å; Q485-V672 WeakPolarHBondContact O-CG2 3.4Å
486	L	93.3	Very high	92.6	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-93.4	-0.6	-177.8	-60.4	172.9	0	0	0	113.8	D483 K484 S497 L498 W500 P668 V672	D483-L486 HydrophobicContact CB-CD1 3.98Å; D483-L486 HydrophobicContact CB-CG 4.3Å; D483-L486 PolarHBondContact O-N 2.86Å; D483-L486 VanDerWaalsContact O-N 3.09Å; K484-L486 PolarHBondContact O-N 3.27Å; L486-S497 CarbonylContact O-C 3.55Å; L486-S497 WeakPolarHBondContact O-CA 3.46Å; L486-S497 WeakPolarHBondContact O-CB 2.95Å; L486-L498 PolarHBondContact O-N 2.76Å; L486-W500 HydrophobicContact CD1-CB 3.67Å; L486-P668 HydrophobicContact CD2-CB 3.67Å; L486-V672 HydrophobicContact CD2-CG2 4.49Å
487	L	93.8	Very high	92.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.2	-179.2	-61.5	175.3	0	0	0	111.1	L57 L61 F477 K484 Y495	L57-L487 HydrophobicContact CD1-CB 4.03Å; L57-L487 HydrophobicContact CD2-CB 4.5Å; L61-L487 HydrophobicContact CD2-CD1 4.29Å; F477-L487 HydrophobicContact CE2-CD1 4.41Å; K484-L487 HydrophobicContact CB-CD1 4.15Å; K484-L487 HydrophobicContact CG-CD1 4.34Å; K484-L487 PolarHBondContact O-N 3.48Å; L487-Y495 HydrophobicContact CD2-CD2 3.31Å; L487-Y495 HydrophobicContact CD2-CE2 3.29Å; L487-Y495 HydrophobicContact CD2-CG 4.27Å
488	V	94.1	Very high	93	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-54.7	179.5	178.4	0	0	0	0	111.1	L496 L498 V672 F675 A676 W679	V488-L496 HydrophobicContact CB-CD2 4.26Å; V488-L496 HydrophobicContact CB-CG 4.13Å; V488-L496 HydrophobicContact CG1-CD2 4.11Å; V488-L496 PolarHBondContact N-O 3.04Å; V488-L498 HydrophobicContact CG2-CD2 4.12Å; V488-L498 HydrophobicContact CG2-CG 3.99Å; V488-V672 HydrophobicContact CG2-CG1 4.32Å; V488-F675 HydrophobicContact CB-CD1 4.36Å; V488-F675 HydrophobicContact CG1-CD1 3.62Å; V488-F675 HydrophobicContact CG1-CE1 3.9Å; V488-F675 HydrophobicContact CG2-CD1 3.87Å; V488-F675 HydrophobicContact CG2-CE1 4.35Å; V488-A676 HydrophobicContact CG1-CB 4.49Å; V488-W679 HydrophobicContact CG1-CB 4.35Å; V488-W679 HydrophobicContact CG1-CG 4.2Å
489	S	94	Very high	93.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.5	-177.4	-179	0	0	0	0	110	L496 D683 T685	S489-L496 PolarHBondContact N-O 2.81Å; S489-L496 PolarHBondContact O-N 2.88Å; S489-D683 PolarHBondContact OG-OD1 3.39Å; S489-D683 PolarHBondContact OG-OD2 3.22Å; S489-T685 WeakPolarHBondContact OG-CG2 3.38Å; S489-T685 PolarHBondContact OG-OG1 3.17Å
490	L	94.2	Very high	93.3	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.089	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	117.3	-175.4	-162.5	105.4	0	0	0	108.2	L57 K60 F477 L514	L57-L490 HydrophobicContact CD1-CB 4.17Å; K60-L490 HydrophobicContact CB-CD2 3.72Å; K60-L490 HydrophobicContact CD-CB 4.14Å; K60-L490 HydrophobicContact CD-CD2 4Å; K60-L490 VanDerWaalsContact CD-O 3.31Å; K60-L490 WeakPolarHBondContact CD-O 3.28Å; K60-L490 WeakPolarHBondContact CE-O 3.43Å; K60-L490 HydrophobicContact CG-CD2 4.42Å; K60-L490 PolarHBondContact NZ-O 3.36Å; F477-L490 HydrophobicContact CD2-CD1 4.16Å; F477-L490 HydrophobicContact CE2-CD1 3.76Å; L490-L514 HydrophobicContact CD1-CD2 3.71Å; L490-L514 HydrophobicContact CG-CD2 4.25Å
491	G	92.4	Very high	93.4	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	17%	0.174	C	C	.	.			trans	-84	-152.1	172.1	0	0	0	0	0	112.4	I494 E530	G491-I494 WeakPolarHBondContact CA-O 3.34Å; G491-I494 PolarHBondContact N-O 3.33Å; G491-E530 WeakPolarHBondContact CA-OE1 3.38Å
492	D	93	Very high	93.4	Very high	143 Å²	143	36.7 Å²	36.7	77%	0.765	18%	0.175	S	C	*	.	S	Bend	trans	-95.4	-37.3	178.2	-75.8	-12.6	0	0	0	112.4	L514 E530	D492-L514 WeakPolarHBondContact O-CD1 3.08Å; D492-E530 PolarHBondContact N-OE1 2.97Å
493	K	94.3	Very high	93.2	Very high	60 Å²	60	36.7 Å²	36.7	26%	0.261	18%	0.18	S	C	.	.	S	Bend	trans	-121.9	-25.1	172.7	-70.6	-168	173.1	-174.6	0	113.2	T513 L514 D524 D526 A527 E530	K493-T513 CarbonylContact O-C 3.6Å; K493-T513 WeakPolarHBondContact O-CA 3.01Å; K493-L514 PolarHBondContact O-N 3.07Å; K493-D524 IonicContact NZ-OD2 2.61Å; K493-D524 PolarHBondContact NZ-OD2 3.04Å; K493-D526 WeakPolarHBondContact CE-OD1 3.42Å; K493-D526 WeakPolarHBondContact CE-OD2 3.18Å; K493-D526 IonicContact NZ-OD1 2.72Å; K493-D526 PolarHBondContact NZ-OD1 3.1Å; K493-D526 IonicContact NZ-OD2 3.27Å; K493-D526 PolarHBondContact NZ-OD2 2.87Å; K493-A527 HydrophobicContact CB-CB 3.94Å; K493-A527 HydrophobicContact CD-CB 3.72Å; K493-A527 HydrophobicContact CG-CB 4.49Å; K493-E530 WeakPolarHBondContact CA-OE2 3.25Å; K493-E530 PolarHBondContact N-OE2 2.8Å
494	I	95.9	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.2	-177.2	-55.3	-60.6	0	0	0	110.7	G491 L511 T512 T513 A527 E530 I531 F534	G491-I494 WeakPolarHBondContact CA-O 3.34Å; G491-I494 PolarHBondContact N-O 3.33Å; I494-L511 HydrophobicContact CG2-CB 4.48Å; I494-L511 HydrophobicContact CG2-CD2 4.42Å; I494-T512 CarbonylContact C-O 3.55Å; I494-T512 WeakPolarHBondContact CA-O 3.47Å; I494-T513 HydrophobicContact CD1-CG2 3.48Å; I494-T513 VanDerWaalsContact CD1-CG2 3.48Å; I494-A527 HydrophobicContact CD1-CB 4.29Å; I494-E530 HydrophobicContact CB-CG 3.95Å; I494-E530 WeakPolarHBondContact CB-OE2 3.44Å; I494-E530 HydrophobicContact CG1-CB 3.92Å; I494-E530 HydrophobicContact CG1-CG 3.92Å; I494-E530 WeakPolarHBondContact CG1-OE2 3.38Å; I494-E530 PolarHBondContact N-OE2 3.45Å; I494-I531 HydrophobicContact CD1-CD1 3.88Å; I494-I531 HydrophobicContact CD1-CG1 3.53Å; I494-I531 HydrophobicContact CG1-CG1 3.72Å; I494-I531 HydrophobicContact CG2-CG1 4.23Å; I494-F534 HydrophobicContact CB-CD2 4.18Å; I494-F534 HydrophobicContact CB-CE2 3.92Å; I494-F534 HydrophobicContact CG2-CD2 3.77Å; I494-F534 HydrophobicContact CG2-CE2 3.81Å
495	Y	95.6	Very high	93.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157	167.2	72.4	-91.7	0	0	0	112.1	R475 L487 T512 T513 L514	R475-Y495 WeakPolarHBondContact CA-OH 3.43Å; R475-Y495 PolarHBondContact O-OH 2.94Å; L487-Y495 HydrophobicContact CD2-CD2 3.31Å; L487-Y495 HydrophobicContact CD2-CE2 3.29Å; L487-Y495 HydrophobicContact CD2-CG 4.27Å; Y495-T512 HydrophobicContact CD1-CG2 4.11Å; Y495-T512 WeakPolarHBondContact CD1-O 3.21Å; Y495-T512 HydrophobicContact CD2-CG2 3.87Å; Y495-T512 HydrophobicContact CE1-CG2 3.67Å; Y495-T512 HydrophobicContact CE2-CG2 3.38Å; Y495-T512 HydrophobicContact CG-CG2 4.23Å; Y495-T512 PolarHBondContact N-O 2.71Å; Y495-T512 PolarHBondContact O-N 2.65Å; Y495-T512 VanDerWaalsContact O-N 3.13Å; Y495-T513 WeakPolarHBondContact CE1-O 2.87Å; Y495-L514 HydrophobicContact CD1-CD2 3.55Å; Y495-L514 HydrophobicContact CD1-CG 4.11Å; Y495-L514 HydrophobicContact CE1-CD2 4.29Å; Y495-L514 HydrophobicContact CG-CD2 4.24Å
496	L	96.1	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.4	178.7	177.5	63.5	0	0	0	109.3	V488 S489 C509 L511 F534 L538 F675 W679	V488-L496 HydrophobicContact CB-CD2 4.26Å; V488-L496 HydrophobicContact CB-CG 4.13Å; V488-L496 HydrophobicContact CG1-CD2 4.11Å; V488-L496 PolarHBondContact N-O 3.04Å; S489-L496 PolarHBondContact N-O 2.81Å; S489-L496 PolarHBondContact O-N 2.88Å; L496-C509 HydrophobicContact CD1-CB 3.79Å; L496-L511 HydrophobicContact CB-CD2 4.15Å; L496-L511 HydrophobicContact CD1-CD2 3.69Å; L496-L511 HydrophobicContact CD1-CG 4.41Å; L496-L511 HydrophobicContact CG-CD2 4.49Å; L496-F534 HydrophobicContact CB-CD1 4.46Å; L496-F534 HydrophobicContact CB-CE1 4.07Å; L496-L538 HydrophobicContact CD1-CD1 4.3Å; L496-L538 HydrophobicContact CD2-CD2 4.39Å; L496-F675 HydrophobicContact CD2-CE1 3.96Å; L496-W679 HydrophobicContact CD2-CD2 3.95Å; L496-W679 HydrophobicContact CD2-CE3 4.37Å; L496-W679 HydrophobicContact CD2-CG 4.41Å; L496-W679 HydrophobicContact CD2-CH2 4.36Å; L496-W679 HydrophobicContact CD2-CZ2 3.94Å
497	S	95.5	Very high	93.2	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	165.4	178.1	60.7	0	0	0	0	112.4	L486 C509 I510	L486-S497 CarbonylContact O-C 3.55Å; L486-S497 WeakPolarHBondContact O-CA 3.46Å; L486-S497 WeakPolarHBondContact O-CB 2.95Å; S497-C509 CarbonylContact O-C 3.56Å; S497-C509 WeakPolarHBondContact O-CA 3.27Å; S497-C509 WeakPolarHBondContact O-CB 3.16Å; S497-I510 PolarHBondContact N-O 3.3Å; S497-I510 PolarHBondContact O-N 3.25Å
498	L	95.2	Very high	93.3	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.174	C	C	.	.			trans	-97.1	151.6	168.5	-58.9	-166.6	0	0	0	110.7	L486 V488 C509 K671 V672 F675	L486-L498 PolarHBondContact O-N 2.76Å; V488-L498 HydrophobicContact CG2-CD2 4.12Å; V488-L498 HydrophobicContact CG2-CG 3.99Å; L498-C509 HydrophobicContact CD2-CB 3.69Å; L498-K671 HydrophobicContact CD1-CB 4.44Å; L498-K671 HydrophobicContact CD1-CD 4.09Å; L498-K671 HydrophobicContact CD1-CG 3.79Å; L498-V672 HydrophobicContact CB-CG2 4.44Å; L498-V672 HydrophobicContact CD1-CB 4.4Å; L498-V672 HydrophobicContact CD1-CG2 3.64Å; L498-V672 HydrophobicContact CG-CG2 4.05Å; L498-F675 HydrophobicContact CD1-CB 4.23Å; L498-F675 HydrophobicContact CD2-CD1 4.41Å; L498-F675 HydrophobicContact CD2-CD2 4.03Å; L498-F675 HydrophobicContact CD2-CE2 4.32Å; L498-F675 HydrophobicContact CD2-CG 4.07Å
499	P	94	Very high	93.4	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.019	17%	0.173	C	C	.	.			trans	-62.8	145.8	171.2	26.6	-33.7	0	0	0	111.2	Y501 H508 I510	P499-Y501 HydrophobicContact CB-CD1 4.01Å; P499-Y501 HydrophobicContact CB-CD2 4.03Å; P499-Y501 HydrophobicContact CB-CE1 3.82Å; P499-Y501 HydrophobicContact CB-CE2 3.83Å; P499-Y501 HydrophobicContact CB-CG 4.12Å; P499-Y501 HydrophobicContact CG-CE2 4.37Å; P499-Y501 PolarHBondContact O-N 2.81Å; P499-H508 WeakPolarHBondContact CD-O 3.38Å; P499-I510 HydrophobicContact CB-CD1 4.14Å
500	W	92	Very high	93.6	Very high	117 Å²	117	32.7 Å²	32.7	44%	0.443	18%	0.175	S	C	.	.	S	Bend	trans	-69	-15.5	173.9	62.8	-107.1	0	0	0	113.3	L486 K664 E665	L486-W500 HydrophobicContact CD1-CB 3.67Å; W500-K664 HydrophobicContact CE3-CG 4.49Å; W500-E665 PolarHBondContact O-N 3.48Å; W500-E665 VanDerWaalsContact O-N 3.12Å
501	Y	92.8	Very high	93.7	Very high	28 Å²	28	31.9 Å²	31.9	11%	0.11	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-101.8	165.6	176.4	56.3	-97.1	0	0	0	112.4	P499 G503 H508 H567 Q645 P662 R663	P499-Y501 HydrophobicContact CB-CD1 4.01Å; P499-Y501 HydrophobicContact CB-CD2 4.03Å; P499-Y501 HydrophobicContact CB-CE1 3.82Å; P499-Y501 HydrophobicContact CB-CE2 3.83Å; P499-Y501 HydrophobicContact CB-CG 4.12Å; P499-Y501 HydrophobicContact CG-CE2 4.37Å; P499-Y501 PolarHBondContact O-N 2.81Å; Y501-G503 PolarHBondContact O-N 3Å; Y501-H508 AromaticContact CE2-CE1 4Å; Y501-H567 PolarHBondContact OH-CE1 2.8Å; Y501-Q645 PolarHBondContact OH-NE2 3.29Å; Y501-P662 HydrophobicContact CD2-CB 3.91Å; Y501-P662 HydrophobicContact CG-CB 3.86Å; Y501-R663 CarbonylContact C-O 3.58Å; Y501-R663 VanDerWaalsContact CA-O 3.23Å; Y501-R663 WeakPolarHBondContact CA-O 3.32Å; Y501-R663 WeakPolarHBondContact CB-O 3.44Å
502	M	91.1	Very high	93.9	Very high	99 Å²	99	31.7 Å²	31.7	49%	0.488	17%	0.168	S	C	.	.			trans	-62.3	102.2	168.8	-66.3	-176.4	70.1	0	0	109.6	R663	M502-R663 HydrophobicContact CG-CB 4.37Å; M502-R663 PolarHBondContact N-O 2.98Å; M502-R663 HydrophobicContact SD-CB 3.94Å
503	G	88.5	Confident	94	Very high	19 Å²	19	25 Å²	25	20%	0.196	13%	0.133	C	C	.	.			trans	-64.5	159.2	176.6	0	0	0	0	0	112.8	Y501 Q505 H508	Y501-G503 PolarHBondContact O-N 3Å; G503-Q505 VanDerWaalsContact C-N 3.25Å; G503-Q505 PolarHBondContact O-N 2.86Å; G503-H508 WeakPolarHBondContact CA-ND1 3.49Å
504	L	90.8	Very high	94	Very high	16 Å²	16	23.9 Å²	23.9	8%	0.084	13%	0.129	C	C	.	.	S	Bend	trans	-60.5	-32.2	-175.9	-75.6	157.1	0	0	0	113.5	I569 Q645 L648 L654 A658 W659	L504-I569 HydrophobicContact CB-CD1 4.31Å; L504-I569 HydrophobicContact CD1-CD1 3.58Å; L504-Q645 HydrophobicContact CD1-CB 3.84Å; L504-Q645 HydrophobicContact CD1-CG 3.95Å; L504-L648 HydrophobicContact CD1-CB 4.44Å; L504-L654 HydrophobicContact CB-CD1 4.16Å; L504-L654 HydrophobicContact CD2-CD1 3.7Å; L504-L654 VanDerWaalsContact O-CD1 3.25Å; L504-L654 WeakPolarHBondContact O-CD1 3.49Å; L504-A658 HydrophobicContact CD2-CB 4.41Å; L504-W659 HydrophobicContact CD2-CE3 4.08Å
505	Q	91.8	Very high	93.9	Very high	46 Å²	46	30.6 Å²	30.6	22%	0.215	16%	0.161	C	C	.	.	S	Bend	trans	-138.8	158	-179.7	-78.9	-63.6	-37.8	0	0	111.9	G503 G507 H508 I569 P570 L652	G503-Q505 VanDerWaalsContact C-N 3.25Å; G503-Q505 PolarHBondContact O-N 2.86Å; Q505-G507 PolarHBondContact O-N 3.33Å; Q505-G507 VanDerWaalsContact O-N 3.12Å; Q505-H508 WeakPolarHBondContact O-CB 3.41Å; Q505-H508 PolarHBondContact O-N 2.67Å; Q505-I569 HydrophobicContact CB-CG2 4.22Å; Q505-I569 HydrophobicContact CG-CG2 4.45Å; Q505-P570 HydrophobicContact CB-CG 4.27Å; Q505-P570 VanDerWaalsContact CB-O 3.29Å; Q505-P570 WeakPolarHBondContact CB-O 3.32Å; Q505-P570 WeakPolarHBondContact CG-O 3.44Å; Q505-L652 HydrophobicContact CG-CD1 3.57Å; Q505-L652 HydrophobicContact CG-CD2 4.22Å
506	S	90.3	Very high	93.8	Very high	91 Å²	91	32.3 Å²	32.3	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	110	175.2	51.7	0	0	0	0	110.1	P570	S506-P570 VanDerWaalsContact O-CG 3.32Å; S506-P570 WeakPolarHBondContact O-CG 3.46Å
507	G	92.9	Very high	93.7	Very high	14 Å²	14	33.6 Å²	33.6	14%	0.144	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	6.5	-174.1	0	0	0	0	0	115.3	Q505 C509 F542 F675	Q505-G507 PolarHBondContact O-N 3.33Å; Q505-G507 VanDerWaalsContact O-N 3.12Å; G507-C509 PolarHBondContact O-N 3.16Å; G507-C509 VanDerWaalsContact O-N 3.12Å; G507-F542 WeakPolarHBondContact O-CZ 3.39Å; G507-F675 WeakPolarHBondContact O-CE2 3.49Å
508	H	95.6	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.			trans	-54.1	117.6	166.9	-179.6	-172.9	0	0	0	110.4	P499 Y501 G503 Q505 H567 C568	P499-H508 WeakPolarHBondContact CD-O 3.38Å; Y501-H508 AromaticContact CE2-CE1 4Å; G503-H508 WeakPolarHBondContact CA-ND1 3.49Å; Q505-H508 WeakPolarHBondContact O-CB 3.41Å; Q505-H508 PolarHBondContact O-N 2.67Å; H508-H567 AromaticContact CE1-ND1 3.97Å; H508-H567 AromaticContact NE2-CG 3.95Å; H508-H567 AromaticContact NE2-ND1 3.26Å; H508-H567 PolarHBondContact NE2-ND1 2.89Å; H508-C568 WeakPolarHBondContact CA-O 3.45Å; H508-C568 PolarHBondContact CD2-O 2.93Å
509	C	96.2	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	172.6	177.7	62.1	0	0	0	0	111.7	L496 S497 L498 G507 C568 F675	L496-C509 HydrophobicContact CD1-CB 3.79Å; S497-C509 CarbonylContact O-C 3.56Å; S497-C509 WeakPolarHBondContact O-CA 3.27Å; S497-C509 WeakPolarHBondContact O-CB 3.16Å; L498-C509 HydrophobicContact CD2-CB 3.69Å; G507-C509 PolarHBondContact O-N 3.16Å; G507-C509 VanDerWaalsContact O-N 3.12Å; C509-C568 PolarHBondContact N-O 3.16Å; C509-C568 PolarHBondContact O-N 2.92Å; C509-C568 VanDerWaalsContact SG-CB 3.53Å; C509-F675 HydrophobicContact CB-CE2 4.23Å; C509-F675 HydrophobicContact CB-CZ 4.07Å
510	I	96.9	Very high	93.7	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.2	-175.7	-53.8	-178.9	0	0	0	108.6	S497 P499 T512 V566 H567	S497-I510 PolarHBondContact N-O 3.3Å; S497-I510 PolarHBondContact O-N 3.25Å; P499-I510 HydrophobicContact CB-CD1 4.14Å; I510-T512 HydrophobicContact CG2-CG2 4.41Å; I510-V566 WeakPolarHBondContact CA-O 3.26Å; I510-H567 VanDerWaalsContact CD1-CE1 3.5Å; I510-H567 WeakPolarHBondContact CD1-CE1 3.23Å
511	L	97.3	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.3	166	-62.7	171.7	0	0	0	108.9	I494 L496 I531 F534 L538 V566	I494-L511 HydrophobicContact CG2-CB 4.48Å; I494-L511 HydrophobicContact CG2-CD2 4.42Å; L496-L511 HydrophobicContact CB-CD2 4.15Å; L496-L511 HydrophobicContact CD1-CD2 3.69Å; L496-L511 HydrophobicContact CD1-CG 4.41Å; L496-L511 HydrophobicContact CG-CD2 4.49Å; L511-I531 HydrophobicContact CD1-CG2 4.49Å; L511-F534 HydrophobicContact CD1-CB 3.75Å; L511-F534 HydrophobicContact CD2-CB 3.6Å; L511-F534 HydrophobicContact CD2-CD1 3.85Å; L511-F534 HydrophobicContact CD2-CD2 4.25Å; L511-F534 HydrophobicContact CD2-CG 3.66Å; L511-F534 HydrophobicContact CG-CB 4.35Å; L511-L538 HydrophobicContact CD1-CD1 4.06Å; L511-L538 HydrophobicContact CD2-CD1 4.25Å; L511-L538 HydrophobicContact CG-CD1 4.26Å; L511-V566 HydrophobicContact CB-CB 4.28Å; L511-V566 PolarHBondContact N-O 3.35Å; L511-V566 PolarHBondContact O-N 2.88Å
512	T	96.2	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.4	-174.6	164	0	0	0	0	110	I494 Y495 I510 H563 L564	I494-T512 CarbonylContact C-O 3.55Å; I494-T512 WeakPolarHBondContact CA-O 3.47Å; Y495-T512 HydrophobicContact CD1-CG2 4.11Å; Y495-T512 WeakPolarHBondContact CD1-O 3.21Å; Y495-T512 HydrophobicContact CD2-CG2 3.87Å; Y495-T512 HydrophobicContact CE1-CG2 3.67Å; Y495-T512 HydrophobicContact CE2-CG2 3.38Å; Y495-T512 HydrophobicContact CG-CG2 4.23Å; Y495-T512 PolarHBondContact N-O 2.71Å; Y495-T512 PolarHBondContact O-N 2.65Å; Y495-T512 VanDerWaalsContact O-N 3.13Å; I510-T512 HydrophobicContact CG2-CG2 4.41Å; T512-H563 PolarHBondContact OG1-CD2 3.28Å; T512-H563 PolarHBondContact OG1-NE2 3.16Å; T512-L564 WeakPolarHBondContact CB-O 3.31Å; T512-L564 PolarHBondContact OG1-O 2.96Å
513	T	96.2	Very high	93.9	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	150.7	176.5	46.3	0	0	0	0	111.8	K493 I494 Y495 Q515 V517 L523 H563 L564	K493-T513 CarbonylContact O-C 3.6Å; K493-T513 WeakPolarHBondContact O-CA 3.01Å; I494-T513 HydrophobicContact CD1-CG2 3.48Å; I494-T513 VanDerWaalsContact CD1-CG2 3.48Å; Y495-T513 WeakPolarHBondContact CE1-O 2.87Å; T513-Q515 WeakPolarHBondContact CB-O 3.37Å; T513-Q515 PolarHBondContact OG1-O 2.96Å; T513-V517 HydrophobicContact CG2-CB 4.37Å; T513-V517 HydrophobicContact CG2-CG2 4.35Å; T513-L523 HydrophobicContact CG2-CD1 3.52Å; T513-H563 PolarHBondContact O-CE1 2.8Å; T513-H563 PolarHBondContact O-NE2 3.12Å; T513-H563 PolarHBondContact OG1-NE2 3.23Å; T513-H563 VanDerWaalsContact OG1-NE2 3.15Å; T513-L564 HydrophobicContact CG2-CD2 3.97Å
514	L	94.2	Very high	94.1	Very high	36 Å²	36	28 Å²	28	19%	0.188	15%	0.153	C	C	.	.	S	Bend	trans	-67.8	-44	170.1	-67.6	168.5	0	0	0	111.2	F477 L490 D492 K493 Y495	F477-L514 HydrophobicContact CB-CD2 4.06Å; F477-L514 HydrophobicContact CD2-CD2 3.81Å; F477-L514 HydrophobicContact CG-CD2 4.01Å; L490-L514 HydrophobicContact CD1-CD2 3.71Å; L490-L514 HydrophobicContact CG-CD2 4.25Å; D492-L514 WeakPolarHBondContact O-CD1 3.08Å; K493-L514 PolarHBondContact O-N 3.07Å; Y495-L514 HydrophobicContact CD1-CD2 3.55Å; Y495-L514 HydrophobicContact CD1-CG 4.11Å; Y495-L514 HydrophobicContact CE1-CD2 4.29Å; Y495-L514 HydrophobicContact CG-CD2 4.24Å
515	Q	92.9	Very high	94.2	Very high	140 Å²	140	33.4 Å²	33.4	65%	0.654	18%	0.178	S	C	*	.	S	Bend	trans	-82.5	154.8	173.2	-65.5	-178.7	-12.4	0	0	111.1	T513 V517 H563	T513-Q515 WeakPolarHBondContact CB-O 3.37Å; T513-Q515 PolarHBondContact OG1-O 2.96Å; Q515-V517 PolarHBondContact O-N 3.17Å; Q515-H563 PolarHBondContact O-CE1 2.84Å; Q515-H563 PolarHBondContact O-NE2 3.43Å
516	H	93.8	Very high	94.4	Very high	39 Å²	39	35.2 Å²	35.2	18%	0.181	19%	0.189	C	C	.	.			trans	-77.9	90	179.7	-160.9	108.4	0	0	0	111.5	L470 C476 R561 P562 H563	L470-H516 HydrophobicContact CD2-CB 3.42Å; L470-H516 VanDerWaalsContact CD2-CB 3.42Å; C476-H516 PolarHBondContact SG-ND1 3.05Å; H516-R561 PolarHBondContact CE1-O 2.99Å; H516-R561 PolarHBondContact NE2-O 3.37Å; H516-P562 PolarHBondContact NE2-O 3.44Å; H516-H563 AromaticContact CG-ND1 3.96Å; H516-H563 AromaticContact ND1-ND1 3.5Å
517	V	93.8	Very high	94.6	Very high	27 Å²	27	31 Å²	31	16%	0.164	16%	0.159	C	C	.	.			trans	-109.1	136.2	172	-176.2	0	0	0	0	107.8	T513 Q515 Q522 L523 L564	T513-V517 HydrophobicContact CG2-CB 4.37Å; T513-V517 HydrophobicContact CG2-CG2 4.35Å; Q515-V517 PolarHBondContact O-N 3.17Å; V517-Q522 HydrophobicContact CG1-CB 4.37Å; V517-L523 HydrophobicContact CB-CD1 4.33Å; V517-L523 HydrophobicContact CG1-CD1 4.04Å; V517-L523 HydrophobicContact CG2-CD1 4.24Å; V517-L564 WeakPolarHBondContact O-CB 3.23Å; V517-L564 PolarHBondContact O-N 2.87Å
518	P	93.5	Very high	94.7	Very high	20 Å²	20	32 Å²	32	13%	0.13	16%	0.159	C	C	.	.			trans	-85	-26.5	-168.7	31.8	-35.7	0	0	0	115.6	L558 P562	P518-L558 HydrophobicContact CB-CD2 4.41Å; P518-P562 WeakPolarHBondContact CA-O 3.49Å; P518-P562 HydrophobicContact CB-CG 4.39Å; P518-P562 WeakPolarHBondContact CB-O 3.5Å
519	C	94.7	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-157.4	161.7	-178.9	58.6	0	0	0	0	112.2	T521 Q522 E553 A555 L558 Y618	C519-T521 VanDerWaalsContact C-N 3.3Å; C519-T521 PolarHBondContact O-N 3.34Å; C519-T521 PolarHBondContact SG-OG1 2.73Å; C519-T521 VanDerWaalsContact SG-OG1 3.39Å; C519-Q522 PolarHBondContact O-N 3.47Å; C519-E553 WeakPolarHBondContact CA-OE1 3.44Å; C519-E553 WeakPolarHBondContact CB-OE1 3.49Å; C519-A555 HydrophobicContact CB-CB 3.78Å; C519-L558 HydrophobicContact CB-CD2 4.11Å; C519-Y618 HydrophobicContact CB-CE1 4.1Å
520	C	95.3	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.5	179.2	-77.4	0	0	0	0	114.3	Q522 L523 W528 E553 L564 L608 R609 Y618	C520-Q522 VanDerWaalsContact C-N 3.27Å; C520-Q522 PolarHBondContact O-N 3.45Å; C520-L523 VanDerWaalsContact O-CB 3.31Å; C520-L523 WeakPolarHBondContact O-CB 3.42Å; C520-L523 PolarHBondContact O-N 3.39Å; C520-W528 HydrophobicContact CB-CE3 4.11Å; C520-W528 HydrophobicContact CB-CZ3 3.7Å; C520-E553 VanDerWaalsContact CB-OE2 3.27Å; C520-E553 WeakPolarHBondContact CB-OE2 3.48Å; C520-E553 PolarHBondContact N-OE1 2.79Å; C520-L564 WeakPolarHBondContact SG-CD1 3.3Å; C520-L608 HydrophobicContact CB-CD2 3.96Å; C520-R609 VanDerWaalsContact O-CD 3.3Å; C520-R609 WeakPolarHBondContact O-CD 3.17Å; C520-Y618 PolarHBondContact N-OH 3.08Å
521	T	94.1	Very high	94.6	Very high	3 Å²	3	39 Å²	39	2%	0.018	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-69.5	-23.7	175.9	57.7	0	0	0	0	113.3	C519 L608 I612 K614 Y618	C519-T521 VanDerWaalsContact C-N 3.3Å; C519-T521 PolarHBondContact O-N 3.34Å; C519-T521 PolarHBondContact SG-OG1 2.73Å; C519-T521 VanDerWaalsContact SG-OG1 3.39Å; T521-L608 HydrophobicContact CG2-CG 4.42Å; T521-I612 HydrophobicContact CG2-CB 4.34Å; T521-I612 HydrophobicContact CG2-CG2 4.31Å; T521-K614 WeakPolarHBondContact O-CE 3.38Å; T521-K614 WeakPolarHBondContact O-CG 3.48Å; T521-Y618 HydrophobicContact CG2-CD1 4.29Å; T521-Y618 HydrophobicContact CG2-CE1 3.54Å; T521-Y618 PolarHBondContact N-OH 2.97Å
522	Q	92.6	Very high	94.4	Very high	46 Å²	46	40 Å²	40	22%	0.215	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-91.6	2.7	174.2	-69.2	-173.1	-1.6	0	0	113.7	S352 V517 C519 C520	S352-Q522 PolarHBondContact O-NE2 3Å; V517-Q522 HydrophobicContact CG1-CB 4.37Å; C519-Q522 PolarHBondContact O-N 3.47Å; C520-Q522 VanDerWaalsContact C-N 3.27Å; C520-Q522 PolarHBondContact O-N 3.45Å
523	L	93.5	Very high	94.4	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	21%	0.213	C	C	.	.			trans	-82.7	140.7	-175.9	-165.4	65.8	0	0	0	113	T513 V517 C520 A527 W528 I531 L564 R609	T513-L523 HydrophobicContact CG2-CD1 3.52Å; V517-L523 HydrophobicContact CB-CD1 4.33Å; V517-L523 HydrophobicContact CG1-CD1 4.04Å; V517-L523 HydrophobicContact CG2-CD1 4.24Å; C520-L523 VanDerWaalsContact O-CB 3.31Å; C520-L523 WeakPolarHBondContact O-CB 3.42Å; C520-L523 PolarHBondContact O-N 3.39Å; L523-A527 HydrophobicContact CD1-CB 3.6Å; L523-A527 HydrophobicContact CD2-CB 3.89Å; L523-A527 HydrophobicContact CG-CB 3.64Å; L523-W528 HydrophobicContact CD2-CB 4.27Å; L523-I531 HydrophobicContact CD2-CD1 3.42Å; L523-I531 VanDerWaalsContact CD2-CD1 3.42Å; L523-I531 HydrophobicContact CD2-CG1 4.28Å; L523-L564 HydrophobicContact CD1-CD2 4.47Å; L523-L564 HydrophobicContact CD2-CD2 4.21Å; L523-R609 PolarHBondContact O-NH1 2.99Å
524	D	93.6	Very high	94.4	Very high	90 Å²	90	42.6 Å²	42.6	48%	0.481	21%	0.212	S	C	.	.			trans	-57.8	155.4	171.3	-62.5	-25.7	0	0	0	112.4	K493 D526 A527 W528	K493-D524 IonicContact NZ-OD2 2.61Å; K493-D524 PolarHBondContact NZ-OD2 3.04Å; D524-D526 WeakPolarHBondContact CB-OD1 3.25Å; D524-D526 PolarHBondContact O-N 3.25Å; D524-A527 PolarHBondContact O-N 2.91Å; D524-W528 WeakPolarHBondContact O-CB 3.27Å; D524-W528 PolarHBondContact O-N 3.41Å
525	E	93.9	Very high	94.4	Very high	130 Å²	130	42.5 Å²	42.5	61%	0.607	21%	0.21	S	C	*	.	H	α-helix	trans	-57.8	-45	178.9	-68.1	-56.7	132.3	0	0	113.5	W528 E529 R609	E525-W528 PolarHBondContact O-N 3.23Å; E525-E529 PolarHBondContact O-N 2.83Å; E525-R609 VanDerWaalsContact CD-NH1 3.3Å; E525-R609 IonicContact OE1-CZ 3.83Å; E525-R609 VanDerWaalsContact OE1-CZ 3.25Å; E525-R609 IonicContact OE1-NH1 3Å; E525-R609 PolarHBondContact OE1-NH1 2.88Å; E525-R609 IonicContact OE1-NH2 3.47Å; E525-R609 PolarHBondContact OE1-NH2 2.68Å; E525-R609 IonicContact OE2-CZ 3.2Å; E525-R609 IonicContact OE2-NH1 2.67Å; E525-R609 IonicContact OE2-NH2 3.31Å; E525-R609 PolarHBondContact OE2-NH2 3.17Å
526	D	95.2	Very high	94.5	Very high	84 Å²	84	39.5 Å²	39.5	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-69	-40.8	-177.1	57.7	-7.7	0	0	0	112.4	K493 D524 W528 E529 E530	K493-D526 WeakPolarHBondContact CE-OD1 3.42Å; K493-D526 WeakPolarHBondContact CE-OD2 3.18Å; K493-D526 IonicContact NZ-OD1 2.72Å; K493-D526 PolarHBondContact NZ-OD1 3.1Å; K493-D526 IonicContact NZ-OD2 3.27Å; K493-D526 PolarHBondContact NZ-OD2 2.87Å; D524-D526 WeakPolarHBondContact CB-OD1 3.25Å; D524-D526 PolarHBondContact O-N 3.25Å; D526-W528 VanDerWaalsContact C-N 3.34Å; D526-E529 PolarHBondContact O-N 3.48Å; D526-E530 WeakPolarHBondContact O-CB 3.39Å; D526-E530 PolarHBondContact O-N 3.36Å
527	A	95	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67.1	-34.9	171.8	0	0	0	0	0	112.1	K493 I494 L523 D524 E530 I531	K493-A527 HydrophobicContact CB-CB 3.94Å; K493-A527 HydrophobicContact CD-CB 3.72Å; K493-A527 HydrophobicContact CG-CB 4.49Å; I494-A527 HydrophobicContact CD1-CB 4.29Å; L523-A527 HydrophobicContact CD1-CB 3.6Å; L523-A527 HydrophobicContact CD2-CB 3.89Å; L523-A527 HydrophobicContact CG-CB 3.64Å; D524-A527 PolarHBondContact O-N 2.91Å; A527-E530 PolarHBondContact O-N 3.24Å; A527-I531 WeakPolarHBondContact O-CG1 3.13Å; A527-I531 PolarHBondContact O-N 3.27Å
528	W	95.1	Very high	94.7	Very high	36 Å²	36	36.8 Å²	36.8	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-69.3	-38	174.3	176	-98.8	0	0	0	112.6	C520 L523 D524 E525 D526 E530 I531 S532 L608 R609 W620	C520-W528 HydrophobicContact CB-CE3 4.11Å; C520-W528 HydrophobicContact CB-CZ3 3.7Å; L523-W528 HydrophobicContact CD2-CB 4.27Å; D524-W528 WeakPolarHBondContact O-CB 3.27Å; D524-W528 PolarHBondContact O-N 3.41Å; E525-W528 PolarHBondContact O-N 3.23Å; D526-W528 VanDerWaalsContact C-N 3.34Å; W528-E530 VanDerWaalsContact C-N 3.34Å; W528-I531 PolarHBondContact O-N 3.35Å; W528-S532 WeakPolarHBondContact O-CB 3.5Å; W528-S532 PolarHBondContact O-N 3.49Å; W528-S532 PolarHBondContact O-OG 2.84Å; W528-L608 HydrophobicContact CH2-CB 4.38Å; W528-L608 HydrophobicContact CH2-CD2 4.25Å; W528-L608 HydrophobicContact CZ3-CD2 4.39Å; W528-R609 VanDerWaalsContact CD1-NH2 3.29Å; W528-R609 VanDerWaalsContact CG-NE 3.34Å; W528-W620 AromaticContact CH2-CH2 3.68Å; W528-W620 HydrophobicContact CH2-CH2 3.68Å; W528-W620 AromaticContact CH2-CZ2 3.96Å; W528-W620 HydrophobicContact CH2-CZ2 3.96Å; W528-W620 HydrophobicContact CH2-CZ3 4.11Å; W528-W620 HydrophobicContact CZ3-CH2 4.06Å; W528-W620 HydrophobicContact CZ3-CZ3 4.11Å
529	E	94.6	Very high	94.8	Very high	121 Å²	121	36.4 Å²	36.4	57%	0.565	18%	0.179	S	C	*	.	H	α-helix	trans	-63	-41.5	170.8	-178.1	168.7	-163.5	0	0	111	E525 D526 S532 N533	E525-E529 PolarHBondContact O-N 2.83Å; D526-E529 PolarHBondContact O-N 3.48Å; E529-S532 CarbonylContact O-C 3.58Å; E529-S532 WeakPolarHBondContact O-CA 3.14Å; E529-S532 WeakPolarHBondContact O-CB 3.47Å; E529-S532 PolarHBondContact O-N 2.93Å; E529-S532 VanDerWaalsContact O-N 3.11Å; E529-N533 VanDerWaalsContact O-CG 3.28Å; E529-N533 PolarHBondContact O-N 3.1Å; E529-N533 PolarHBondContact O-ND2 3.13Å
530	E	95.6	Very high	94.9	Very high	33 Å²	33	44.6 Å²	44.6	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-46	175.4	-169.8	171.3	-142.7	0	0	112.2	G491 D492 K493 I494 D526 A527 W528 S532 N533 F534	G491-E530 WeakPolarHBondContact CA-OE1 3.38Å; D492-E530 PolarHBondContact N-OE1 2.97Å; K493-E530 WeakPolarHBondContact CA-OE2 3.25Å; K493-E530 PolarHBondContact N-OE2 2.8Å; I494-E530 HydrophobicContact CB-CG 3.95Å; I494-E530 WeakPolarHBondContact CB-OE2 3.44Å; I494-E530 HydrophobicContact CG1-CB 3.92Å; I494-E530 HydrophobicContact CG1-CG 3.92Å; I494-E530 WeakPolarHBondContact CG1-OE2 3.38Å; I494-E530 PolarHBondContact N-OE2 3.45Å; D526-E530 WeakPolarHBondContact O-CB 3.39Å; D526-E530 PolarHBondContact O-N 3.36Å; A527-E530 PolarHBondContact O-N 3.24Å; W528-E530 VanDerWaalsContact C-N 3.34Å; E530-S532 PolarHBondContact O-N 3.41Å; E530-N533 PolarHBondContact O-N 3.34Å; E530-N533 VanDerWaalsContact O-N 3.11Å; E530-F534 HydrophobicContact CG-CD2 3.95Å; E530-F534 HydrophobicContact CG-CE2 3.82Å; E530-F534 WeakPolarHBondContact O-CD2 3.46Å; E530-F534 PolarHBondContact O-N 2.89Å
531	I	95.2	Very high	94.9	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-55	-43.3	170.2	-69.2	-178	0	0	0	110.5	I494 L511 L523 A527 W528 N533 F534 R535 L564 V566	I494-I531 HydrophobicContact CD1-CD1 3.88Å; I494-I531 HydrophobicContact CD1-CG1 3.53Å; I494-I531 HydrophobicContact CG1-CG1 3.72Å; I494-I531 HydrophobicContact CG2-CG1 4.23Å; L511-I531 HydrophobicContact CD1-CG2 4.49Å; L523-I531 HydrophobicContact CD2-CD1 3.42Å; L523-I531 VanDerWaalsContact CD2-CD1 3.42Å; L523-I531 HydrophobicContact CD2-CG1 4.28Å; A527-I531 WeakPolarHBondContact O-CG1 3.13Å; A527-I531 PolarHBondContact O-N 3.27Å; W528-I531 PolarHBondContact O-N 3.35Å; I531-N533 VanDerWaalsContact C-N 3.3Å; I531-N533 PolarHBondContact O-N 3.37Å; I531-F534 PolarHBondContact O-N 3.39Å; I531-R535 WeakPolarHBondContact O-CB 3.43Å; I531-R535 PolarHBondContact O-N 2.85Å; I531-L564 HydrophobicContact CD1-CD2 4.1Å; I531-V566 HydrophobicContact CD1-CG2 4.5Å
532	S	93.9	Very high	95	Very high	21 Å²	21	44.5 Å²	44.5	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-33	179.9	-61.4	0	0	0	0	112.6	W528 E529 E530 K536	W528-S532 WeakPolarHBondContact O-CB 3.5Å; W528-S532 PolarHBondContact O-N 3.49Å; W528-S532 PolarHBondContact O-OG 2.84Å; E529-S532 CarbonylContact O-C 3.58Å; E529-S532 WeakPolarHBondContact O-CA 3.14Å; E529-S532 WeakPolarHBondContact O-CB 3.47Å; E529-S532 PolarHBondContact O-N 2.93Å; E529-S532 VanDerWaalsContact O-N 3.11Å; E530-S532 PolarHBondContact O-N 3.41Å; S532-K536 WeakPolarHBondContact O-CD 3.4Å; S532-K536 VanDerWaalsContact O-CG 3.22Å; S532-K536 WeakPolarHBondContact O-CG 3.22Å; S532-K536 PolarHBondContact O-N 2.81Å; S532-K536 VanDerWaalsContact O-N 3.1Å
533	N	95.1	Very high	95.1	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	22%	0.223	S	C	.	.	H	α-helix	trans	-74.9	-42.8	176.4	-68.8	-23.6	0	0	0	111.7	E529 E530 I531 R535 K536 A537	E529-N533 VanDerWaalsContact O-CG 3.28Å; E529-N533 PolarHBondContact O-N 3.1Å; E529-N533 PolarHBondContact O-ND2 3.13Å; E530-N533 PolarHBondContact O-N 3.34Å; E530-N533 VanDerWaalsContact O-N 3.11Å; I531-N533 VanDerWaalsContact C-N 3.3Å; I531-N533 PolarHBondContact O-N 3.37Å; N533-R535 VanDerWaalsContact C-N 3.31Å; N533-R535 PolarHBondContact O-N 3.25Å; N533-K536 PolarHBondContact O-N 3.12Å; N533-K536 PolarHBondContact OD1-NZ 2.98Å; N533-A537 WeakPolarHBondContact O-CB 3.34Å; N533-A537 PolarHBondContact O-N 3.19Å
534	F	95.9	Very high	95.1	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-42.9	168.8	-85.1	-72.8	0	0	0	112	I494 L496 L511 E530 I531 A537 L538 W679 T685	I494-F534 HydrophobicContact CB-CD2 4.18Å; I494-F534 HydrophobicContact CB-CE2 3.92Å; I494-F534 HydrophobicContact CG2-CD2 3.77Å; I494-F534 HydrophobicContact CG2-CE2 3.81Å; L496-F534 HydrophobicContact CB-CD1 4.46Å; L496-F534 HydrophobicContact CB-CE1 4.07Å; L511-F534 HydrophobicContact CD1-CB 3.75Å; L511-F534 HydrophobicContact CD2-CB 3.6Å; L511-F534 HydrophobicContact CD2-CD1 3.85Å; L511-F534 HydrophobicContact CD2-CD2 4.25Å; L511-F534 HydrophobicContact CD2-CG 3.66Å; L511-F534 HydrophobicContact CG-CB 4.35Å; E530-F534 HydrophobicContact CG-CD2 3.95Å; E530-F534 HydrophobicContact CG-CE2 3.82Å; E530-F534 WeakPolarHBondContact O-CD2 3.46Å; E530-F534 PolarHBondContact O-N 2.89Å; I531-F534 PolarHBondContact O-N 3.39Å; F534-A537 PolarHBondContact O-N 3.07Å; F534-L538 WeakPolarHBondContact O-CB 3.47Å; F534-L538 WeakPolarHBondContact O-CG 3.21Å; F534-L538 PolarHBondContact O-N 2.92Å; F534-W679 HydrophobicContact CD1-CH2 4.12Å; F534-W679 AromaticContact CD1-CZ2 3.82Å; F534-W679 HydrophobicContact CD1-CZ2 3.82Å; F534-W679 AromaticContact CE1-CZ2 3.95Å; F534-W679 HydrophobicContact CE1-CZ2 3.95Å; F534-T685 HydrophobicContact CE1-CG2 3.85Å; F534-T685 HydrophobicContact CE2-CG2 4.22Å; F534-T685 HydrophobicContact CZ-CG2 3.36Å
535	R	95.5	Very high	95.1	Very high	34 Å²	34	48.4 Å²	48.4	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-54.1	176.2	-170.4	177.6	65.1	82	-10.6	111.3	I531 N533 A537 L538 T539 F551 H622 G624	I531-R535 WeakPolarHBondContact O-CB 3.43Å; I531-R535 PolarHBondContact O-N 2.85Å; N533-R535 VanDerWaalsContact C-N 3.31Å; N533-R535 PolarHBondContact O-N 3.25Å; R535-A537 VanDerWaalsContact C-N 3.29Å; R535-A537 PolarHBondContact O-N 2.88Å; R535-L538 PolarHBondContact O-N 2.76Å; R535-T539 PolarHBondContact O-N 2.92Å; R535-T539 PolarHBondContact O-OG1 3.05Å; R535-F551 HydrophobicContact CB-CE1 4.33Å; R535-F551 HydrophobicContact CB-CZ 4.33Å; R535-F551 HydrophobicContact CG-CD1 4.04Å; R535-F551 HydrophobicContact CG-CD2 3.74Å; R535-F551 HydrophobicContact CG-CE1 3.81Å; R535-F551 HydrophobicContact CG-CE2 3.49Å; R535-F551 VanDerWaalsContact CG-CE2 3.49Å; R535-F551 HydrophobicContact CG-CG 4.01Å; R535-F551 HydrophobicContact CG-CZ 3.53Å; R535-H622 VanDerWaalsContact CZ-NE2 3.32Å; R535-H622 PolarHBondContact NH1-CE1 3.3Å; R535-H622 PolarHBondContact NH2-NE2 2.98Å; R535-G624 PolarHBondContact NH1-O 2.97Å
536	K	95.1	Very high	95.1	Very high	76 Å²	76	52.8 Å²	52.8	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-55.2	-43	177.2	-67.7	162.5	-163.5	164.8	0	112	S532 N533 R540 M625	S532-K536 WeakPolarHBondContact O-CD 3.4Å; S532-K536 VanDerWaalsContact O-CG 3.22Å; S532-K536 WeakPolarHBondContact O-CG 3.22Å; S532-K536 PolarHBondContact O-N 2.81Å; S532-K536 VanDerWaalsContact O-N 3.1Å; N533-K536 PolarHBondContact O-N 3.12Å; N533-K536 PolarHBondContact OD1-NZ 2.98Å; K536-R540 VanDerWaalsContact O-CG 3.3Å; K536-R540 WeakPolarHBondContact O-CG 3.21Å; K536-R540 PolarHBondContact O-N 3.01Å; K536-R540 VanDerWaalsContact O-N 3.11Å; K536-M625 HydrophobicContact CG-CE 4.25Å; K536-M625 HydrophobicContact CG-SD 4.22Å
537	A	95.7	Very high	95.1	Very high	9 Å²	9	50.6 Å²	50.6	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-43.8	-179.8	0	0	0	0	0	112.9	N533 F534 R535 R540 M541 W679 F682 C684	N533-A537 WeakPolarHBondContact O-CB 3.34Å; N533-A537 PolarHBondContact O-N 3.19Å; F534-A537 PolarHBondContact O-N 3.07Å; R535-A537 VanDerWaalsContact C-N 3.29Å; R535-A537 PolarHBondContact O-N 2.88Å; A537-R540 PolarHBondContact O-N 3.3Å; A537-M541 PolarHBondContact O-N 3.19Å; A537-W679 HydrophobicContact CB-CH2 3.56Å; A537-W679 HydrophobicContact CB-CZ3 4.06Å; A537-F682 WeakPolarHBondContact CB-O 3.45Å; A537-C684 HydrophobicContact CB-CB 4.25Å
538	L	96.5	Very high	95.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-46.6	174.7	-73.7	164.2	0	0	0	111.2	L496 L511 F534 R535 R540 M541 F542 F551 C568 F675 W679	L496-L538 HydrophobicContact CD1-CD1 4.3Å; L496-L538 HydrophobicContact CD2-CD2 4.39Å; L511-L538 HydrophobicContact CD1-CD1 4.06Å; L511-L538 HydrophobicContact CD2-CD1 4.25Å; L511-L538 HydrophobicContact CG-CD1 4.26Å; F534-L538 WeakPolarHBondContact O-CB 3.47Å; F534-L538 WeakPolarHBondContact O-CG 3.21Å; F534-L538 PolarHBondContact O-N 2.92Å; R535-L538 PolarHBondContact O-N 2.76Å; L538-R540 VanDerWaalsContact C-N 3.31Å; L538-R540 PolarHBondContact O-N 3Å; L538-M541 HydrophobicContact CD2-CE 4.03Å; L538-M541 WeakPolarHBondContact O-CB 3.42Å; L538-M541 PolarHBondContact O-N 2.89Å; L538-M541 VanDerWaalsContact O-N 3.13Å; L538-F542 HydrophobicContact CD2-CE2 4.15Å; L538-F542 WeakPolarHBondContact O-CD2 3.47Å; L538-F542 PolarHBondContact O-N 3.2Å; L538-F551 HydrophobicContact CB-CE1 4.15Å; L538-F551 HydrophobicContact CB-CZ 3.98Å; L538-F551 HydrophobicContact CD1-CE1 3.97Å; L538-C568 HydrophobicContact CD1-CB 4.38Å; L538-F675 HydrophobicContact CD2-CZ 4.09Å; L538-W679 HydrophobicContact CB-CZ3 4.41Å; L538-W679 HydrophobicContact CD2-CE3 3.91Å; L538-W679 HydrophobicContact CD2-CH2 4.11Å; L538-W679 HydrophobicContact CD2-CZ3 3.46Å; L538-W679 VanDerWaalsContact CD2-CZ3 3.46Å; L538-W679 HydrophobicContact CG-CH2 3.94Å; L538-W679 HydrophobicContact CG-CZ3 3.65Å
539	T	95.8	Very high	95.1	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-41.5	177	-50.1	0	0	0	0	111.6	R535 F542 A543 F551 G624 M625	R535-T539 PolarHBondContact O-N 2.92Å; R535-T539 PolarHBondContact O-OG1 3.05Å; T539-F542 PolarHBondContact O-N 3.3Å; T539-A543 WeakPolarHBondContact O-CB 3.42Å; T539-A543 PolarHBondContact O-N 3.33Å; T539-F551 WeakPolarHBondContact OG1-CE2 3.12Å; T539-G624 PolarHBondContact OG1-O 3.25Å; T539-M625 HydrophobicContact CG2-CG 4.02Å
540	R	95.4	Very high	95.2	Very high	172 Å²	172	44.9 Å²	44.9	65%	0.649	22%	0.217	S	C	*	.	H	α-helix	trans	-62.5	-42.1	174.1	-72.9	170.7	-178.7	179.5	-0.4	112.8	K536 A537 L538 A544 F682	K536-R540 VanDerWaalsContact O-CG 3.3Å; K536-R540 WeakPolarHBondContact O-CG 3.21Å; K536-R540 PolarHBondContact O-N 3.01Å; K536-R540 VanDerWaalsContact O-N 3.11Å; A537-R540 PolarHBondContact O-N 3.3Å; L538-R540 VanDerWaalsContact C-N 3.31Å; L538-R540 PolarHBondContact O-N 3Å; R540-A544 PolarHBondContact O-N 2.68Å; R540-A544 VanDerWaalsContact O-N 3.16Å; R540-F682 HydrophobicContact CB-CD1 4.09Å; R540-F682 HydrophobicContact CB-CE1 4.27Å
541	M	95.6	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-44.2	178.2	-178	-170.2	61.8	0	0	112	A537 L538 F675 N678 W679 F682	A537-M541 PolarHBondContact O-N 3.19Å; L538-M541 HydrophobicContact CD2-CE 4.03Å; L538-M541 WeakPolarHBondContact O-CB 3.42Å; L538-M541 PolarHBondContact O-N 2.89Å; L538-M541 VanDerWaalsContact O-N 3.13Å; M541-F675 HydrophobicContact CE-CE2 4.09Å; M541-F675 HydrophobicContact CE-CZ 3.83Å; M541-N678 HydrophobicContact SD-CB 4.46Å; M541-W679 HydrophobicContact CE-CE3 4.35Å; M541-W679 HydrophobicContact SD-CB 4.41Å; M541-W679 HydrophobicContact SD-CE3 3.93Å; M541-F682 HydrophobicContact CB-CB 4.21Å; M541-F682 HydrophobicContact CB-CD1 4.31Å; M541-F682 HydrophobicContact CB-CD2 3.62Å; M541-F682 HydrophobicContact CB-CE2 4.01Å; M541-F682 HydrophobicContact CB-CG 3.79Å; M541-F682 HydrophobicContact CG-CD2 3.61Å; M541-F682 HydrophobicContact CG-CE2 3.85Å; M541-F682 HydrophobicContact CG-CG 4.29Å
542	F	95.8	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-78.1	-35.7	-178.2	-71.5	-63.9	0	0	0	112.6	G507 L538 T539 A544 R545 R546 Q547 V549 P570 F675	G507-F542 WeakPolarHBondContact O-CZ 3.39Å; L538-F542 HydrophobicContact CD2-CE2 4.15Å; L538-F542 WeakPolarHBondContact O-CD2 3.47Å; L538-F542 PolarHBondContact O-N 3.2Å; T539-F542 PolarHBondContact O-N 3.3Å; F542-A544 PolarHBondContact O-N 3.03Å; F542-R545 CarbonylContact O-C 3.6Å; F542-R545 WeakPolarHBondContact O-CA 3.47Å; F542-R545 WeakPolarHBondContact O-CB 3.47Å; F542-R545 PolarHBondContact O-N 2.7Å; F542-R546 PolarHBondContact O-N 2.69Å; F542-Q547 CarbonylContact C-O 3.48Å; F542-Q547 HydrophobicContact CB-CB 4.17Å; F542-Q547 PolarHBondContact O-N 3.39Å; F542-Q547 VanDerWaalsContact O-O 3.06Å; F542-V549 HydrophobicContact CB-CG2 3.47Å; F542-V549 VanDerWaalsContact CB-CG2 3.47Å; F542-V549 HydrophobicContact CD2-CG1 4.41Å; F542-V549 HydrophobicContact CD2-CG2 3.44Å; F542-V549 VanDerWaalsContact CD2-CG2 3.44Å; F542-V549 HydrophobicContact CE2-CG2 4.42Å; F542-V549 HydrophobicContact CG-CG2 3.77Å; F542-P570 HydrophobicContact CD1-CB 3.54Å; F542-P570 HydrophobicContact CD1-CG 4.19Å; F542-P570 HydrophobicContact CD2-CB 4.33Å; F542-P570 HydrophobicContact CE1-CB 3.5Å; F542-P570 VanDerWaalsContact CE1-CB 3.5Å; F542-P570 HydrophobicContact CE1-CG 3.61Å; F542-P570 HydrophobicContact CE2-CB 4.29Å; F542-P570 HydrophobicContact CG-CB 3.97Å; F542-P570 HydrophobicContact CZ-CB 3.88Å; F542-P570 HydrophobicContact CZ-CG 3.81Å; F542-F675 HydrophobicContact CZ-CE2 4.14Å
543	A	94.5	Very high	95.5	Very high	61 Å²	61	42.5 Å²	42.5	50%	0.504	20%	0.204	S	C	.	.	H	α-helix	trans	-57.7	-38.9	171.6	0	0	0	0	0	111.7	T539 R545 R546 Q547	T539-A543 WeakPolarHBondContact O-CB 3.42Å; T539-A543 PolarHBondContact O-N 3.33Å; A543-R545 PolarHBondContact O-N 3.44Å; A543-R545 VanDerWaalsContact O-N 3.14Å; A543-R546 PolarHBondContact O-N 2.87Å; A543-Q547 WeakPolarHBondContact CA-O 3.31Å; A543-Q547 PolarHBondContact N-O 2.87Å
544	A	94.9	Very high	95.6	Very high	75 Å²	75	41.6 Å²	41.6	62%	0.62	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.9	173.2	0	0	0	0	0	114.1	R540 F542 F682	R540-A544 PolarHBondContact O-N 2.68Å; R540-A544 VanDerWaalsContact O-N 3.16Å; F542-A544 PolarHBondContact O-N 3.03Å; A544-F682 HydrophobicContact CB-CZ 4Å
545	R	93.3	Very high	95.6	Very high	88 Å²	88	41.7 Å²	41.7	33%	0.332	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10.7	172	-59.7	-162.3	-168.3	91.6	31.1	114	F542 A543 Q547 N678	F542-R545 CarbonylContact O-C 3.6Å; F542-R545 WeakPolarHBondContact O-CA 3.47Å; F542-R545 WeakPolarHBondContact O-CB 3.47Å; F542-R545 PolarHBondContact O-N 2.7Å; A543-R545 PolarHBondContact O-N 3.44Å; A543-R545 VanDerWaalsContact O-N 3.14Å; R545-Q547 HydrophobicContact CB-CG 4.41Å; R545-Q547 PolarHBondContact O-N 3.38Å; R545-N678 PolarHBondContact NE-OD1 2.81Å; R545-N678 PolarHBondContact NH2-OD1 3.18Å
546	R	93.6	Very high	95.4	Very high	223 Å²	223	41 Å²	41	84%	0.842	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	34.5	-173.2	-52.7	175.5	177.7	-114.7	1.4	112.9	F542 A543 A573	F542-R546 PolarHBondContact O-N 2.69Å; A543-R546 PolarHBondContact O-N 2.87Å; R546-A573 WeakPolarHBondContact O-CB 3.47Å; R546-A573 PolarHBondContact O-N 3.07Å
547	Q	94.7	Very high	95.2	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.173	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.6	172.7	-64.6	179	-64.9	0	0	109	F542 A543 R545 I571	F542-Q547 CarbonylContact C-O 3.48Å; F542-Q547 HydrophobicContact CB-CB 4.17Å; F542-Q547 PolarHBondContact O-N 3.39Å; F542-Q547 VanDerWaalsContact O-O 3.06Å; A543-Q547 WeakPolarHBondContact CA-O 3.31Å; A543-Q547 PolarHBondContact N-O 2.87Å; R545-Q547 HydrophobicContact CB-CG 4.41Å; R545-Q547 PolarHBondContact O-N 3.38Å; Q547-I571 CarbonylContact C-O 3.6Å; Q547-I571 VanDerWaalsContact CA-O 3.3Å; Q547-I571 WeakPolarHBondContact CA-O 3.45Å; Q547-I571 WeakPolarHBondContact CB-O 3.07Å
548	D	94.8	Very high	95	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.203	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	175.9	166	-166.1	13.1	0	0	0	109.6	P570 I571 G624	D548-P570 CarbonylContact O-C 3.12Å; D548-P570 VanDerWaalsContact O-CA 3.32Å; D548-P570 WeakPolarHBondContact O-CA 3.19Å; D548-I571 HydrophobicContact CB-CG1 4.3Å; D548-I571 PolarHBondContact N-O 2.88Å; D548-I571 PolarHBondContact O-N 3.32Å; D548-G624 WeakPolarHBondContact OD1-CA 3.42Å
549	V	96.1	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.7	-171	-167.2	0	0	0	0	111.2	F542 F551 C568 G624	F542-V549 HydrophobicContact CB-CG2 3.47Å; F542-V549 VanDerWaalsContact CB-CG2 3.47Å; F542-V549 HydrophobicContact CD2-CG1 4.41Å; F542-V549 HydrophobicContact CD2-CG2 3.44Å; F542-V549 VanDerWaalsContact CD2-CG2 3.44Å; F542-V549 HydrophobicContact CE2-CG2 4.42Å; F542-V549 HydrophobicContact CG-CG2 3.77Å; V549-F551 HydrophobicContact CB-CD2 4.43Å; V549-F551 HydrophobicContact CB-CE2 3.72Å; V549-F551 HydrophobicContact CB-CZ 4.05Å; V549-F551 HydrophobicContact CG1-CD1 4.48Å; V549-F551 HydrophobicContact CG1-CD2 4.02Å; V549-F551 HydrophobicContact CG1-CE1 3.99Å; V549-F551 HydrophobicContact CG1-CE2 3.47Å; V549-F551 VanDerWaalsContact CG1-CE2 3.47Å; V549-F551 HydrophobicContact CG1-CG 4.5Å; V549-F551 HydrophobicContact CG1-CZ 3.45Å; V549-F551 VanDerWaalsContact CG1-CZ 3.45Å; V549-C568 WeakPolarHBondContact CG1-SG 3.37Å; V549-G624 PolarHBondContact O-N 3.37Å
550	V	96.9	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.2	168.6	-174.7	0	0	0	0	109.2	I569 I571 A579 F583 V621 F623 L648	V550-I569 PolarHBondContact N-O 3.19Å; V550-I569 PolarHBondContact O-N 3.4Å; V550-I571 HydrophobicContact CG2-CD1 3.62Å; V550-I571 HydrophobicContact CG2-CG1 4.32Å; V550-A579 HydrophobicContact CG2-CB 4.26Å; V550-F583 HydrophobicContact CG1-CE2 3.98Å; V550-F583 HydrophobicContact CG1-CZ 4.15Å; V550-V621 HydrophobicContact CG1-CG1 3.66Å; V550-F623 HydrophobicContact CG1-CD1 4.42Å; V550-F623 HydrophobicContact CG1-CE1 4.33Å; V550-F623 HydrophobicContact CG2-CD1 4.1Å; V550-F623 HydrophobicContact CG2-CE1 4.48Å; V550-L648 HydrophobicContact CB-CD1 4.39Å; V550-L648 HydrophobicContact CB-CD2 4.22Å; V550-L648 HydrophobicContact CG1-CD1 4.39Å; V550-L648 HydrophobicContact CG1-CD2 4.47Å; V550-L648 HydrophobicContact CG2-CD2 3.98Å
551	F	97.3	Very high	93.9	Very high	1 Å²	1	48 Å²	48	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.6	170.2	-57.5	-91.4	0	0	0	109	R535 L538 T539 V549 V566 H567 C568 V621 H622	R535-F551 HydrophobicContact CB-CE1 4.33Å; R535-F551 HydrophobicContact CB-CZ 4.33Å; R535-F551 HydrophobicContact CG-CD1 4.04Å; R535-F551 HydrophobicContact CG-CD2 3.74Å; R535-F551 HydrophobicContact CG-CE1 3.81Å; R535-F551 HydrophobicContact CG-CE2 3.49Å; R535-F551 VanDerWaalsContact CG-CE2 3.49Å; R535-F551 HydrophobicContact CG-CG 4.01Å; R535-F551 HydrophobicContact CG-CZ 3.53Å; L538-F551 HydrophobicContact CB-CE1 4.15Å; L538-F551 HydrophobicContact CB-CZ 3.98Å; L538-F551 HydrophobicContact CD1-CE1 3.97Å; T539-F551 WeakPolarHBondContact OG1-CE2 3.12Å; V549-F551 HydrophobicContact CB-CD2 4.43Å; V549-F551 HydrophobicContact CB-CE2 3.72Å; V549-F551 HydrophobicContact CB-CZ 4.05Å; V549-F551 HydrophobicContact CG1-CD1 4.48Å; V549-F551 HydrophobicContact CG1-CD2 4.02Å; V549-F551 HydrophobicContact CG1-CE1 3.99Å; V549-F551 HydrophobicContact CG1-CE2 3.47Å; V549-F551 VanDerWaalsContact CG1-CE2 3.47Å; V549-F551 HydrophobicContact CG1-CG 4.5Å; V549-F551 HydrophobicContact CG1-CZ 3.45Å; V549-F551 VanDerWaalsContact CG1-CZ 3.45Å; F551-V566 HydrophobicContact CB-CG1 4.25Å; F551-H567 CarbonylContact C-O 3.58Å; F551-H567 VanDerWaalsContact CA-O 3.23Å; F551-H567 WeakPolarHBondContact CA-O 3.38Å; F551-C568 HydrophobicContact CD1-CB 3.78Å; F551-C568 HydrophobicContact CE1-CB 3.77Å; F551-C568 VanDerWaalsContact CE1-SG 3.55Å; F551-V621 CarbonylContact O-C 3.43Å; F551-V621 WeakPolarHBondContact O-CA 3.36Å; F551-H622 HydrophobicContact CB-CB 4.33Å; F551-H622 PolarHBondContact N-O 3.05Å; F551-H622 PolarHBondContact O-N 3.2Å
552	Y	97.1	Very high	93.8	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.7	173.7	68.7	-93.8	0	0	0	114	I554 V566 H567 I569 W620 A644 Q645 L648	Y552-I554 HydrophobicContact CD2-CG1 4.32Å; Y552-V566 CarbonylContact O-C 3.51Å; Y552-V566 WeakPolarHBondContact O-CA 3.28Å; Y552-H567 HydrophobicContact CD1-CB 4.07Å; Y552-H567 HydrophobicContact CD2-CB 4.18Å; Y552-H567 HydrophobicContact CE1-CB 3.59Å; Y552-H567 HydrophobicContact CE2-CB 3.69Å; Y552-H567 AromaticContact CE2-CD2 3.59Å; Y552-H567 AromaticContact CE2-CG 3.83Å; Y552-H567 HydrophobicContact CG-CB 4.34Å; Y552-H567 AromaticContact CZ-CD2 3.94Å; Y552-H567 AromaticContact CZ-CG 3.71Å; Y552-H567 PolarHBondContact N-O 3.41Å; Y552-H567 PolarHBondContact O-N 3.42Å; Y552-I569 HydrophobicContact CE1-CD1 3.72Å; Y552-I569 HydrophobicContact CE1-CG1 4.02Å; Y552-W620 CarbonylContact C-O 3.08Å; Y552-W620 WeakPolarHBondContact CA-O 3.32Å; Y552-W620 VanDerWaalsContact CB-O 3.31Å; Y552-W620 WeakPolarHBondContact CB-O 3.36Å; Y552-A644 HydrophobicContact CD1-CB 3.88Å; Y552-A644 HydrophobicContact CD2-CB 3.54Å; Y552-A644 HydrophobicContact CE1-CB 4.06Å; Y552-A644 HydrophobicContact CE2-CB 3.75Å; Y552-A644 HydrophobicContact CG-CB 3.62Å; Y552-Q645 WeakPolarHBondContact OH-CG 3.29Å; Y552-Q645 PolarHBondContact OH-NE2 2.98Å; Y552-L648 HydrophobicContact CD1-CD1 4.25Å; Y552-L648 HydrophobicContact CE1-CD1 3.95Å
553	E	96.4	Very high	93.8	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.1	170.8	-175.4	-168.5	-173.5	0	0	108.4	C519 C520 L564 Y618 V619 W620	C519-E553 WeakPolarHBondContact CA-OE1 3.44Å; C519-E553 WeakPolarHBondContact CB-OE1 3.49Å; C520-E553 VanDerWaalsContact CB-OE2 3.27Å; C520-E553 WeakPolarHBondContact CB-OE2 3.48Å; C520-E553 PolarHBondContact N-OE1 2.79Å; E553-L564 HydrophobicContact CG-CD1 4.08Å; E553-L564 WeakPolarHBondContact OE1-CD1 3.18Å; E553-Y618 PolarHBondContact OE1-OH 2.89Å; E553-Y618 VanDerWaalsContact OE1-OH 3.1Å; E553-Y618 VanDerWaalsContact OE2-CE2 3.25Å; E553-Y618 WeakPolarHBondContact OE2-CE2 3.27Å; E553-Y618 VanDerWaalsContact OE2-CZ 3.31Å; E553-Y618 PolarHBondContact OE2-OH 2.79Å; E553-V619 WeakPolarHBondContact O-CA 3.44Å; E553-W620 HydrophobicContact CB-CB 4.46Å; E553-W620 HydrophobicContact CB-CE3 3.92Å; E553-W620 PolarHBondContact N-O 2.92Å; E553-W620 PolarHBondContact O-N 3.36Å
554	I	96.5	Very high	93.9	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	97	169.1	-61	174.7	0	0	0	106.9	Y552 N556 V619 I633 F643 A644	Y552-I554 HydrophobicContact CD2-CG1 4.32Å; I554-N556 HydrophobicContact CG2-CB 4.21Å; I554-N556 PolarHBondContact O-N 2.71Å; I554-V619 HydrophobicContact CG1-CG1 4.25Å; I554-V619 HydrophobicContact CG1-CG2 4.16Å; I554-V619 HydrophobicContact CG2-CG2 4.31Å; I554-I633 HydrophobicContact CG2-CD1 4.46Å; I554-F643 HydrophobicContact CD1-CB 4.18Å; I554-A644 HydrophobicContact CD1-CB 4.24Å
555	A	95.2	Very high	93.9	Very high	3 Å²	3	45 Å²	45	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	75.3	-179.9	0	0	0	0	0	109.7	C519 L558 P617 Y618	C519-A555 HydrophobicContact CB-CB 3.78Å; A555-L558 HydrophobicContact CB-CD2 4.33Å; A555-P617 CarbonylContact O-C 3.58Å; A555-P617 WeakPolarHBondContact O-CA 3.44Å; A555-P617 WeakPolarHBondContact O-CB 3.32Å; A555-Y618 HydrophobicContact CB-CD1 3.83Å; A555-Y618 HydrophobicContact CB-CD2 4.32Å; A555-Y618 HydrophobicContact CB-CE1 3.61Å; A555-Y618 HydrophobicContact CB-CE2 4.11Å; A555-Y618 HydrophobicContact CB-CG 4.17Å; A555-Y618 PolarHBondContact N-O 3.3Å; A555-Y618 PolarHBondContact O-N 2.93Å
556	N	92.2	Very high	94.1	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	18%	0.181	C	C	.	.			trans	-106.6	154.8	178.2	-167.4	-3.3	0	0	0	110.7	I554 L558 I633 E636	I554-N556 HydrophobicContact CG2-CB 4.21Å; I554-N556 PolarHBondContact O-N 2.71Å; N556-L558 PolarHBondContact O-N 3.48Å; N556-I633 HydrophobicContact CB-CD1 4.33Å; N556-E636 PolarHBondContact ND2-O 3.31Å; N556-E636 VanDerWaalsContact ND2-O 3.13Å; N556-E636 VanDerWaalsContact OD1-CB 3.27Å; N556-E636 WeakPolarHBondContact OD1-CB 3.47Å; N556-E636 VanDerWaalsContact OD1-CG 3.23Å; N556-E636 WeakPolarHBondContact OD1-CG 3.41Å
557	K	91.5	Very high	94.3	Very high	52 Å²	52	31 Å²	31	23%	0.226	14%	0.144	C	C	.	.			trans	58.3	43	173.4	-74.4	156.7	178	158.7	0	113	H559 R560 E636 D637	K557-H559 PolarHBondContact O-N 3.48Å; K557-H559 VanDerWaalsContact O-N 3.08Å; K557-R560 HydrophobicContact CB-CG 4.26Å; K557-R560 WeakPolarHBondContact O-CB 3.49Å; K557-R560 PolarHBondContact O-N 3.35Å; K557-E636 WeakPolarHBondContact CA-OE2 3.42Å; K557-E636 WeakPolarHBondContact CE-O 3.48Å; K557-E636 WeakPolarHBondContact CG-OE2 3.42Å; K557-E636 PolarHBondContact NZ-O 3.36Å; K557-D637 VanDerWaalsContact CE-OD1 3.3Å; K557-D637 WeakPolarHBondContact CE-OD1 3.17Å; K557-D637 IonicContact NZ-OD1 3.03Å; K557-D637 PolarHBondContact NZ-OD1 2.98Å
558	L	90.5	Very high	94.4	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.12	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-54.6	-30.5	-178.3	-65.4	179.6	0	0	0	113	P518 C519 A555 N556 R560 R561 P562	P518-L558 HydrophobicContact CB-CD2 4.41Å; C519-L558 HydrophobicContact CB-CD2 4.11Å; A555-L558 HydrophobicContact CB-CD2 4.33Å; N556-L558 PolarHBondContact O-N 3.48Å; L558-R560 PolarHBondContact O-N 3.08Å; L558-R560 VanDerWaalsContact O-N 3.15Å; L558-R561 WeakPolarHBondContact O-CA 3.37Å; L558-R561 PolarHBondContact O-N 3.26Å; L558-P562 HydrophobicContact CD2-CG 4.44Å
559	H	86.1	Confident	94.4	Very high	128 Å²	128	27.4 Å²	27.4	59%	0.593	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-59	-22	173.4	67.2	-97.2	0	0	0	114.2	K557 E636	K557-H559 PolarHBondContact O-N 3.48Å; K557-H559 VanDerWaalsContact O-N 3.08Å; H559-E636 IonicContact CE1-OE2 2.79Å; H559-E636 PolarHBondContact CE1-OE2 3.32Å; H559-E636 VanDerWaalsContact CE1-OE2 3.31Å; H559-E636 IonicContact ND1-OE2 2.81Å; H559-E636 PolarHBondContact ND1-OE2 2.9Å
560	R	89	Confident	94.4	Very high	150 Å²	150	27.4 Å²	27.4	57%	0.566	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-88.2	-5.8	174.4	-53.5	-169.6	-179.2	-168.3	-0.5	113.4	K557 L558	K557-R560 HydrophobicContact CB-CG 4.26Å; K557-R560 WeakPolarHBondContact O-CB 3.49Å; K557-R560 PolarHBondContact O-N 3.35Å; L558-R560 PolarHBondContact O-N 3.08Å; L558-R560 VanDerWaalsContact O-N 3.15Å
561	R	89.7	Confident	94.4	Very high	63 Å²	63	27.4 Å²	27.4	24%	0.238	13%	0.126	C	C	.	.			trans	50.6	67	-172.3	-58.2	-176.6	-176.9	178.2	5.5	111.2	E462 T469 H516 L558	E462-R561 IonicContact OE1-CZ 2.82Å; E462-R561 IonicContact OE1-NH1 3.52Å; E462-R561 IonicContact OE1-NH2 2.66Å; E462-R561 PolarHBondContact OE1-NH2 3.41Å; T469-R561 WeakPolarHBondContact CG2-O 3.2Å; H516-R561 PolarHBondContact CE1-O 2.99Å; H516-R561 PolarHBondContact NE2-O 3.37Å; L558-R561 WeakPolarHBondContact O-CA 3.37Å; L558-R561 PolarHBondContact O-N 3.26Å
562	P	93.7	Very high	94.2	Very high	46 Å²	46	29.5 Å²	29.5	30%	0.299	14%	0.14	S	C	.	.			trans	-55.3	167.2	165.8	28.8	-36.2	0	0	0	110.1	H516 P518 L558	H516-P562 PolarHBondContact NE2-O 3.44Å; P518-P562 WeakPolarHBondContact CA-O 3.49Å; P518-P562 HydrophobicContact CB-CG 4.39Å; P518-P562 WeakPolarHBondContact CB-O 3.5Å; L558-P562 HydrophobicContact CD2-CG 4.44Å
563	H	95.5	Very high	94	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	16%	0.158	C	C	.	.			trans	-102.2	126.2	169.7	-167.3	138.3	0	0	0	107.9	C473 R475 C476 T512 T513 Q515 H516 S565	C473-H563 PolarHBondContact SG-ND1 3.11Å; C473-H563 VanDerWaalsContact SG-ND1 3.38Å; R475-H563 VanDerWaalsContact C-CE1 3.48Å; R475-H563 HydrophobicContact CB-CB 4.01Å; R475-H563 PolarHBondContact NH1-O 3.01Å; R475-H563 PolarHBondContact O-CE1 2.67Å; C476-H563 PolarHBondContact N-ND1 2.61Å; T512-H563 PolarHBondContact OG1-CD2 3.28Å; T512-H563 PolarHBondContact OG1-NE2 3.16Å; T513-H563 PolarHBondContact O-CE1 2.8Å; T513-H563 PolarHBondContact O-NE2 3.12Å; T513-H563 PolarHBondContact OG1-NE2 3.23Å; T513-H563 VanDerWaalsContact OG1-NE2 3.15Å; Q515-H563 PolarHBondContact O-CE1 2.84Å; Q515-H563 PolarHBondContact O-NE2 3.43Å; H516-H563 AromaticContact CG-ND1 3.96Å; H516-H563 AromaticContact ND1-ND1 3.5Å; H563-S565 PolarHBondContact O-N 2.85Å
564	L	96.4	Very high	93.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.189	C	C	.	.			trans	-41.6	130.1	178.7	169	59.3	0	0	0	112.6	T512 T513 V517 C520 L523 I531 E553 V566	T512-L564 WeakPolarHBondContact CB-O 3.31Å; T512-L564 PolarHBondContact OG1-O 2.96Å; T513-L564 HydrophobicContact CG2-CD2 3.97Å; V517-L564 WeakPolarHBondContact O-CB 3.23Å; V517-L564 PolarHBondContact O-N 2.87Å; C520-L564 WeakPolarHBondContact SG-CD1 3.3Å; L523-L564 HydrophobicContact CD1-CD2 4.47Å; L523-L564 HydrophobicContact CD2-CD2 4.21Å; I531-L564 HydrophobicContact CD1-CD2 4.1Å; E553-L564 HydrophobicContact CG-CD1 4.08Å; E553-L564 WeakPolarHBondContact OE1-CD1 3.18Å; L564-V566 HydrophobicContact CD1-CG2 4.06Å
565	S	95.6	Very high	93.5	Very high	17 Å²	17	36.6 Å²	36.6	12%	0.119	19%	0.191	C	C	.	.			trans	-141.4	113.8	168.1	52.7	0	0	0	0	111.3	R475 H563	R475-S565 VanDerWaalsContact CZ-OG 3.24Å; R475-S565 PolarHBondContact NH1-OG 3.42Å; R475-S565 PolarHBondContact NH2-OG 2.66Å; R475-S565 VanDerWaalsContact NH2-OG 3.15Å; H563-S565 PolarHBondContact O-N 2.85Å
566	V	97.2	Very high	93.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108	165.7	-172.9	0	0	0	0	107.1	I510 L511 I531 F551 Y552 L564 W620	I510-V566 WeakPolarHBondContact CA-O 3.26Å; L511-V566 HydrophobicContact CB-CB 4.28Å; L511-V566 PolarHBondContact N-O 3.35Å; L511-V566 PolarHBondContact O-N 2.88Å; I531-V566 HydrophobicContact CD1-CG2 4.5Å; F551-V566 HydrophobicContact CB-CG1 4.25Å; Y552-V566 CarbonylContact O-C 3.51Å; Y552-V566 WeakPolarHBondContact O-CA 3.28Å; L564-V566 HydrophobicContact CD1-CG2 4.06Å; V566-W620 HydrophobicContact CG1-CH2 4.49Å; V566-W620 HydrophobicContact CG1-CZ3 3.97Å; V566-W620 HydrophobicContact CG2-CZ3 4Å
567	H	97.1	Very high	93.2	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.065	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141	173.6	-71.3	-83.7	0	0	0	109.8	Y501 H508 I510 F551 Y552	Y501-H567 PolarHBondContact OH-CE1 2.8Å; H508-H567 AromaticContact CE1-ND1 3.97Å; H508-H567 AromaticContact NE2-CG 3.95Å; H508-H567 AromaticContact NE2-ND1 3.26Å; H508-H567 PolarHBondContact NE2-ND1 2.89Å; I510-H567 VanDerWaalsContact CD1-CE1 3.5Å; I510-H567 WeakPolarHBondContact CD1-CE1 3.23Å; F551-H567 CarbonylContact C-O 3.58Å; F551-H567 VanDerWaalsContact CA-O 3.23Å; F551-H567 WeakPolarHBondContact CA-O 3.38Å; Y552-H567 HydrophobicContact CD1-CB 4.07Å; Y552-H567 HydrophobicContact CD2-CB 4.18Å; Y552-H567 HydrophobicContact CE1-CB 3.59Å; Y552-H567 HydrophobicContact CE2-CB 3.69Å; Y552-H567 AromaticContact CE2-CD2 3.59Å; Y552-H567 AromaticContact CE2-CG 3.83Å; Y552-H567 HydrophobicContact CG-CB 4.34Å; Y552-H567 AromaticContact CZ-CD2 3.94Å; Y552-H567 AromaticContact CZ-CG 3.71Å; Y552-H567 PolarHBondContact N-O 3.41Å; Y552-H567 PolarHBondContact O-N 3.42Å
568	C	96.9	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.4	176.9	165.8	0	0	0	0	107.7	H508 C509 L538 V549 F551	H508-C568 WeakPolarHBondContact CA-O 3.45Å; H508-C568 PolarHBondContact CD2-O 2.93Å; C509-C568 PolarHBondContact N-O 3.16Å; C509-C568 PolarHBondContact O-N 2.92Å; C509-C568 VanDerWaalsContact SG-CB 3.53Å; L538-C568 HydrophobicContact CD1-CB 4.38Å; V549-C568 WeakPolarHBondContact CG1-SG 3.37Å; F551-C568 HydrophobicContact CD1-CB 3.78Å; F551-C568 HydrophobicContact CE1-CB 3.77Å; F551-C568 VanDerWaalsContact CE1-SG 3.55Å
569	I	96.4	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.8	-177.6	-56.7	-162.4	0	0	0	109	L504 Q505 V550 Y552 L648	L504-I569 HydrophobicContact CB-CD1 4.31Å; L504-I569 HydrophobicContact CD1-CD1 3.58Å; Q505-I569 HydrophobicContact CB-CG2 4.22Å; Q505-I569 HydrophobicContact CG-CG2 4.45Å; V550-I569 PolarHBondContact N-O 3.19Å; V550-I569 PolarHBondContact O-N 3.4Å; Y552-I569 HydrophobicContact CE1-CD1 3.72Å; Y552-I569 HydrophobicContact CE1-CG1 4.02Å; I569-L648 HydrophobicContact CB-CD1 4.14Å; I569-L648 HydrophobicContact CD1-CD1 3.87Å; I569-L648 HydrophobicContact CG1-CD1 4.34Å; I569-L648 HydrophobicContact CG2-CD1 4.36Å
570	P	96.2	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140	172.6	31.2	-33.9	0	0	0	110.2	Q505 S506 F542 D548	Q505-P570 HydrophobicContact CB-CG 4.27Å; Q505-P570 VanDerWaalsContact CB-O 3.29Å; Q505-P570 WeakPolarHBondContact CB-O 3.32Å; Q505-P570 WeakPolarHBondContact CG-O 3.44Å; S506-P570 VanDerWaalsContact O-CG 3.32Å; S506-P570 WeakPolarHBondContact O-CG 3.46Å; F542-P570 HydrophobicContact CD1-CB 3.54Å; F542-P570 HydrophobicContact CD1-CG 4.19Å; F542-P570 HydrophobicContact CD2-CB 4.33Å; F542-P570 HydrophobicContact CE1-CB 3.5Å; F542-P570 VanDerWaalsContact CE1-CB 3.5Å; F542-P570 HydrophobicContact CE1-CG 3.61Å; F542-P570 HydrophobicContact CE2-CB 4.29Å; F542-P570 HydrophobicContact CG-CB 3.97Å; F542-P570 HydrophobicContact CZ-CB 3.88Å; F542-P570 HydrophobicContact CZ-CG 3.81Å; D548-P570 CarbonylContact O-C 3.12Å; D548-P570 VanDerWaalsContact O-CA 3.32Å; D548-P570 WeakPolarHBondContact O-CA 3.19Å
571	I	95.5	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.2	176.9	55.9	173.3	0	0	0	110	Q547 D548 V550 A573 A579 L648 L652	Q547-I571 CarbonylContact C-O 3.6Å; Q547-I571 VanDerWaalsContact CA-O 3.3Å; Q547-I571 WeakPolarHBondContact CA-O 3.45Å; Q547-I571 WeakPolarHBondContact CB-O 3.07Å; D548-I571 HydrophobicContact CB-CG1 4.3Å; D548-I571 PolarHBondContact N-O 2.88Å; D548-I571 PolarHBondContact O-N 3.32Å; V550-I571 HydrophobicContact CG2-CD1 3.62Å; V550-I571 HydrophobicContact CG2-CG1 4.32Å; I571-A573 PolarHBondContact O-N 2.96Å; I571-A579 HydrophobicContact CD1-CB 3.96Å; I571-L648 HydrophobicContact CG2-CD2 4.18Å; I571-L652 HydrophobicContact CG2-CD1 4.23Å; I571-L652 HydrophobicContact CG2-CD2 4.37Å
572	P	94.4	Very high	94.4	Very high	46 Å²	46	41.6 Å²	41.6	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	139.3	173	-22.5	34	0	0	0	110.7	S574 Q575 G576 L652	P572-S574 PolarHBondContact O-N 3.17Å; P572-S574 VanDerWaalsContact O-N 3.13Å; P572-Q575 PolarHBondContact O-N 3.29Å; P572-G576 PolarHBondContact O-N 2.61Å; P572-G576 VanDerWaalsContact O-N 3.13Å; P572-L652 HydrophobicContact CG-CD2 4.45Å
573	A	92.1	Very high	94.5	Very high	47 Å²	47	39.4 Å²	39.4	39%	0.388	21%	0.208	S	C	.	.	H	α-helix	trans	-56	-33.9	-176.7	0	0	0	0	0	113.5	R546 I571 Q575 G576	R546-A573 WeakPolarHBondContact O-CB 3.47Å; R546-A573 PolarHBondContact O-N 3.07Å; I571-A573 PolarHBondContact O-N 2.96Å; A573-Q575 PolarHBondContact O-N 3.37Å; A573-G576 PolarHBondContact O-N 3.27Å
574	S	90.3	Very high	94.6	Very high	96 Å²	96	43.3 Å²	43.3	67%	0.671	23%	0.225	S	C	*	.	H	α-helix	trans	-61.1	-24.5	174.4	52.6	0	0	0	0	114.5	P572	P572-S574 PolarHBondContact O-N 3.17Å; P572-S574 VanDerWaalsContact O-N 3.13Å
575	Q	91.6	Very high	94.5	Very high	52 Å²	52	49 Å²	49	24%	0.243	25%	0.25	C	C	.	.	H	α-helix	trans	-97.1	-15.9	173.6	-62.3	-168.4	-9.8	0	0	112.6	P572 A573 M578 A579 M651	P572-Q575 PolarHBondContact O-N 3.29Å; A573-Q575 PolarHBondContact O-N 3.37Å; Q575-M578 PolarHBondContact O-N 3.23Å; Q575-A579 PolarHBondContact O-N 3.42Å; Q575-M651 HydrophobicContact CB-CE 4.25Å; Q575-M651 PolarHBondContact NE2-O 2.88Å; Q575-M651 WeakPolarHBondContact O-CE 3.33Å; Q575-M651 PolarHBondContact OE1-O 2.98Å
576	G	90.7	Very high	94.5	Very high	4 Å²	4	49.1 Å²	49.1	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-49.4	175.5	0	0	0	0	0	112.2	P572 A573 M578 A579 P580	P572-G576 PolarHBondContact O-N 2.61Å; P572-G576 VanDerWaalsContact O-N 3.13Å; A573-G576 PolarHBondContact O-N 3.27Å; G576-M578 PolarHBondContact O-N 2.9Å; G576-A579 WeakPolarHBondContact O-CB 3.34Å; G576-A579 PolarHBondContact O-N 2.91Å; G576-A579 VanDerWaalsContact O-N 3.09Å; G576-P580 WeakPolarHBondContact O-CD 3.45Å
577	E	90.3	Very high	94.4	Very high	157 Å²	157	49 Å²	49	73%	0.734	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.7	176.6	-63.5	178	-168	0	0	112.9	F581	E577-F581 WeakPolarHBondContact O-CD2 3.36Å; E577-F581 WeakPolarHBondContact O-CE2 3.34Å
578	M	92.7	Very high	94.3	Very high	90 Å²	90	52.1 Å²	52.1	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-22.7	179.3	-63	-56.7	-63	0	0	113.3	Q575 G576 F581 Y582	Q575-M578 PolarHBondContact O-N 3.23Å; G576-M578 PolarHBondContact O-N 2.9Å; M578-F581 PolarHBondContact O-N 3.45Å; M578-Y582 HydrophobicContact CB-CD2 4.12Å; M578-Y582 HydrophobicContact CB-CE2 3.97Å; M578-Y582 WeakPolarHBondContact O-CD2 3.49Å; M578-Y582 PolarHBondContact O-N 3.02Å
579	A	94.4	Very high	94.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.3	-44.6	-173.8	0	0	0	0	0	114	V550 I571 Q575 G576 F581 Y582 F583 F623 M651	V550-A579 HydrophobicContact CG2-CB 4.26Å; I571-A579 HydrophobicContact CD1-CB 3.96Å; Q575-A579 PolarHBondContact O-N 3.42Å; G576-A579 WeakPolarHBondContact O-CB 3.34Å; G576-A579 PolarHBondContact O-N 2.91Å; G576-A579 VanDerWaalsContact O-N 3.09Å; A579-F581 VanDerWaalsContact C-N 3.26Å; A579-F581 PolarHBondContact O-N 2.77Å; A579-Y582 PolarHBondContact O-N 2.86Å; A579-F583 WeakPolarHBondContact O-CD2 3.22Å; A579-F583 PolarHBondContact O-N 3.4Å; A579-F623 HydrophobicContact CB-CD1 3.83Å; A579-F623 HydrophobicContact CB-CE1 3.85Å; A579-M651 VanDerWaalsContact CA-CE 3.49Å; A579-M651 HydrophobicContact CB-CE 3.72Å; A579-M651 HydrophobicContact CB-SD 4.28Å
580	P	94.9	Very high	93.8	Very high	38 Å²	38	59.9 Å²	59.9	25%	0.247	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-34.9	177.3	-25	35.5	0	0	0	113.4	G576 K584 F623 F629	G576-P580 WeakPolarHBondContact O-CD 3.45Å; P580-K584 WeakPolarHBondContact O-CB 3.17Å; P580-K584 PolarHBondContact O-N 2.85Å; P580-F623 HydrophobicContact CB-CD2 4.37Å; P580-F623 HydrophobicContact CB-CE2 4.16Å; P580-F623 HydrophobicContact CB-CZ 4.39Å; P580-F623 HydrophobicContact CG-CD1 4.23Å; P580-F623 HydrophobicContact CG-CD2 3.97Å; P580-F623 HydrophobicContact CG-CE1 4.45Å; P580-F623 HydrophobicContact CG-CE2 4.21Å; P580-F623 HydrophobicContact CG-CG 4Å; P580-F623 HydrophobicContact CG-CZ 4.46Å; P580-F629 HydrophobicContact CB-CE2 4.14Å; P580-F629 WeakPolarHBondContact O-CE2 3.47Å
581	F	94.7	Very high	93.4	Very high	137 Å²	137	61.3 Å²	61.3	60%	0.601	31%	0.312	S	S	*	.	H	α-helix	trans	-71.3	-43.9	-179.5	-60.9	-84.5	0	0	0	112	E577 M578 A579 K584 K585	E577-F581 WeakPolarHBondContact O-CD2 3.36Å; E577-F581 WeakPolarHBondContact O-CE2 3.34Å; M578-F581 PolarHBondContact O-N 3.45Å; A579-F581 VanDerWaalsContact C-N 3.26Å; A579-F581 PolarHBondContact O-N 2.77Å; F581-K584 PolarHBondContact O-N 2.85Å; F581-K585 WeakPolarHBondContact O-CB 3.18Å; F581-K585 PolarHBondContact O-N 3.37Å
582	Y	96.1	Very high	92.9	Very high	116 Å²	116	66.4 Å²	66.4	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-47	175.9	-79.5	-77.4	0	0	0	111.9	M578 A579 A586 M651	M578-Y582 HydrophobicContact CB-CD2 4.12Å; M578-Y582 HydrophobicContact CB-CE2 3.97Å; M578-Y582 WeakPolarHBondContact O-CD2 3.49Å; M578-Y582 PolarHBondContact O-N 3.02Å; A579-Y582 PolarHBondContact O-N 2.86Å; Y582-A586 VanDerWaalsContact O-CB 3.25Å; Y582-A586 WeakPolarHBondContact O-CB 3.16Å; Y582-A586 PolarHBondContact O-N 2.77Å; Y582-M651 HydrophobicContact CD1-CG 4Å; Y582-M651 HydrophobicContact CD2-CE 3.91Å; Y582-M651 HydrophobicContact CD2-CG 3.48Å; Y582-M651 VanDerWaalsContact CD2-CG 3.48Å; Y582-M651 HydrophobicContact CD2-SD 3.69Å; Y582-M651 HydrophobicContact CE1-CG 4.34Å; Y582-M651 HydrophobicContact CE2-CE 4.44Å; Y582-M651 HydrophobicContact CE2-CG 3.86Å; Y582-M651 HydrophobicContact CG-CG 3.55Å; Y582-M651 HydrophobicContact CG-SD 3.85Å
583	F	96.6	Very high	92.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-67.4	-38.8	177.5	-86.7	-80.7	0	0	0	112.8	V550 A579 I587 V621 F623 F629 A644 I647 L648	V550-F583 HydrophobicContact CG1-CE2 3.98Å; V550-F583 HydrophobicContact CG1-CZ 4.15Å; A579-F583 WeakPolarHBondContact O-CD2 3.22Å; A579-F583 PolarHBondContact O-N 3.4Å; F583-I587 WeakPolarHBondContact O-CB 3.47Å; F583-I587 WeakPolarHBondContact O-CD1 3.4Å; F583-I587 WeakPolarHBondContact O-CG1 3.03Å; F583-I587 PolarHBondContact O-N 2.95Å; F583-V621 HydrophobicContact CD1-CB 4.27Å; F583-V621 HydrophobicContact CD1-CG1 3.91Å; F583-V621 HydrophobicContact CD1-CG2 3.69Å; F583-V621 HydrophobicContact CD2-CG1 4.21Å; F583-V621 HydrophobicContact CE1-CB 4.42Å; F583-V621 HydrophobicContact CE1-CG1 3.9Å; F583-V621 HydrophobicContact CE1-CG2 3.67Å; F583-V621 HydrophobicContact CE2-CG1 4.21Å; F583-V621 HydrophobicContact CG-CG1 4.05Å; F583-V621 HydrophobicContact CZ-CG1 4.04Å; F583-F623 HydrophobicContact CB-CE1 4.38Å; F583-F623 HydrophobicContact CB-CZ 3.83Å; F583-F623 AromaticContact CD2-CE1 3.65Å; F583-F623 HydrophobicContact CD2-CE1 3.65Å; F583-F623 AromaticContact CD2-CZ 3.97Å; F583-F623 HydrophobicContact CD2-CZ 3.97Å; F583-F623 HydrophobicContact CE2-CE1 4.25Å; F583-F623 HydrophobicContact CG-CE1 4.21Å; F583-F623 HydrophobicContact CG-CZ 4.05Å; F583-F629 HydrophobicContact CB-CD2 4.45Å; F583-A644 HydrophobicContact CE1-CB 3.93Å; F583-A644 HydrophobicContact CZ-CB 4.21Å; F583-I647 HydrophobicContact CD1-CD1 3.56Å; F583-I647 HydrophobicContact CD1-CG2 4.25Å; F583-I647 HydrophobicContact CD2-CG2 3.91Å; F583-I647 HydrophobicContact CE1-CB 4.21Å; F583-I647 HydrophobicContact CE1-CD1 3.59Å; F583-I647 HydrophobicContact CE1-CG2 4.2Å; F583-I647 HydrophobicContact CE2-CB 4.48Å; F583-I647 HydrophobicContact CE2-CG2 3.84Å; F583-I647 HydrophobicContact CG-CD1 4.34Å; F583-I647 HydrophobicContact CG-CG2 4.14Å; F583-I647 HydrophobicContact CZ-CB 4.16Å; F583-I647 HydrophobicContact CZ-CD1 4.39Å; F583-I647 HydrophobicContact CZ-CG2 4.01Å; F583-L648 HydrophobicContact CE2-CD2 3.86Å; F583-L648 HydrophobicContact CE2-CG 4Å; F583-L648 HydrophobicContact CZ-CD1 4.25Å; F583-L648 HydrophobicContact CZ-CD2 4.25Å; F583-L648 HydrophobicContact CZ-CG 3.89Å
584	K	95.6	Very high	92	Very high	92 Å²	92	80 Å²	80	40%	0.4	38%	0.378	S	S	.	.	H	α-helix	trans	-55.4	-56.7	173.6	172.9	176.5	-178.2	-162.2	0	110.5	P580 F581 A586 I587 E588 L600 F629	P580-K584 WeakPolarHBondContact O-CB 3.17Å; P580-K584 PolarHBondContact O-N 2.85Å; F581-K584 PolarHBondContact O-N 2.85Å; K584-A586 PolarHBondContact O-N 3.4Å; K584-I587 PolarHBondContact O-N 3.28Å; K584-E588 WeakPolarHBondContact CE-OE1 3.3Å; K584-E588 WeakPolarHBondContact CE-OE2 3.25Å; K584-E588 IonicContact NZ-OE1 2.68Å; K584-E588 WeakPolarHBondContact O-CG 3.46Å; K584-E588 PolarHBondContact O-N 3.32Å; K584-E588 VanDerWaalsContact O-N 3.11Å; K584-L600 HydrophobicContact CB-CD1 4.09Å; K584-L600 HydrophobicContact CG-CD1 3.74Å; K584-F629 HydrophobicContact CB-CE2 4.16Å; K584-F629 HydrophobicContact CB-CZ 4.28Å
585	K	95.8	Very high	91.8	Very high	120 Å²	120	76.8 Å²	76.8	52%	0.522	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-49	-178.9	-178.1	-178.7	175.3	-174.9	0	111.3	F581 I587 E588 E589	F581-K585 WeakPolarHBondContact O-CB 3.18Å; F581-K585 PolarHBondContact O-N 3.37Å; K585-I587 VanDerWaalsContact C-N 3.29Å; K585-I587 PolarHBondContact O-N 3.3Å; K585-E588 PolarHBondContact O-N 3.35Å; K585-E589 WeakPolarHBondContact CE-OE1 3.47Å; K585-E589 WeakPolarHBondContact CE-OE2 3.2Å; K585-E589 HydrophobicContact CG-CG 4.44Å; K585-E589 IonicContact NZ-OE1 3.57Å; K585-E589 WeakPolarHBondContact O-CB 3.33Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.49Å
586	A	95.9	Very high	91.8	Very high	20 Å²	20	82 Å²	82	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-65.2	-29.7	-177.1	0	0	0	0	0	113.5	Y582 K584 S590 F643 I647	Y582-A586 VanDerWaalsContact O-CB 3.25Å; Y582-A586 WeakPolarHBondContact O-CB 3.16Å; Y582-A586 PolarHBondContact O-N 2.77Å; K584-A586 PolarHBondContact O-N 3.4Å; A586-S590 WeakPolarHBondContact O-CB 3.25Å; A586-S590 PolarHBondContact O-N 2.89Å; A586-S590 VanDerWaalsContact O-N 3.07Å; A586-S590 PolarHBondContact O-OG 3.14Å; A586-F643 HydrophobicContact CB-CE2 4.19Å; A586-F643 HydrophobicContact CB-CZ 4.05Å; A586-F643 WeakPolarHBondContact O-CZ 3.43Å; A586-I647 HydrophobicContact CB-CD1 3.43Å; A586-I647 VanDerWaalsContact CB-CD1 3.43Å; A586-I647 HydrophobicContact CB-CG1 3.69Å
587	I	95	Very high	91.9	Very high	1 Å²	1	85 Å²	85	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-74.8	-37.2	174.4	-72	167.3	0	0	0	111.4	F583 K584 K585 E589 S590 Q599 L600 F629 H631 F643	F583-I587 WeakPolarHBondContact O-CB 3.47Å; F583-I587 WeakPolarHBondContact O-CD1 3.4Å; F583-I587 WeakPolarHBondContact O-CG1 3.03Å; F583-I587 PolarHBondContact O-N 2.95Å; K584-I587 PolarHBondContact O-N 3.28Å; K585-I587 VanDerWaalsContact C-N 3.29Å; K585-I587 PolarHBondContact O-N 3.3Å; I587-E589 PolarHBondContact O-N 2.92Å; I587-S590 PolarHBondContact O-OG 2.97Å; I587-S590 VanDerWaalsContact O-OG 3.11Å; I587-Q599 WeakPolarHBondContact CG2-O 3.44Å; I587-L600 HydrophobicContact CG2-CB 4.04Å; I587-L600 HydrophobicContact CG2-CD1 4.37Å; I587-L600 HydrophobicContact CG2-CG 4.45Å; I587-F629 HydrophobicContact CD1-CB 4.02Å; I587-H631 HydrophobicContact CG2-CB 3.81Å; I587-F643 HydrophobicContact CG1-CE1 3.85Å; I587-F643 HydrophobicContact CG1-CZ 3.86Å
588	E	93.6	Very high	91.9	Very high	79 Å²	79	86 Å²	86	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-69.3	-24.9	174.9	-68.5	168.7	171.4	0	0	111.5	K584 K585 Q599 L600	K584-E588 WeakPolarHBondContact CE-OE1 3.3Å; K584-E588 WeakPolarHBondContact CE-OE2 3.25Å; K584-E588 IonicContact NZ-OE1 2.68Å; K584-E588 WeakPolarHBondContact O-CG 3.46Å; K584-E588 PolarHBondContact O-N 3.32Å; K584-E588 VanDerWaalsContact O-N 3.11Å; K585-E588 PolarHBondContact O-N 3.35Å; E588-Q599 PolarHBondContact O-NE2 3.33Å; E588-Q599 PolarHBondContact O-OE1 2.78Å; E588-Q599 VanDerWaalsContact O-OE1 3.13Å; E588-L600 HydrophobicContact CG-CB 4.37Å; E588-L600 HydrophobicContact CG-CD1 4.42Å
589	E	93.1	Very high	91.9	Very high	131 Å²	131	84 Å²	84	61%	0.612	39%	0.39	S	S	*	.	S	Bend	trans	-100	-3.9	178.9	-67.2	176.9	167.1	0	0	115	K585 I587	K585-E589 WeakPolarHBondContact CE-OE1 3.47Å; K585-E589 WeakPolarHBondContact CE-OE2 3.2Å; K585-E589 HydrophobicContact CG-CG 4.44Å; K585-E589 IonicContact NZ-OE1 3.57Å; K585-E589 WeakPolarHBondContact O-CB 3.33Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.49Å; I587-E589 PolarHBondContact O-N 2.92Å
590	S	90.2	Very high	91.8	Very high	32 Å²	32	85.9 Å²	85.9	22%	0.224	40%	0.4	C	S	.	.	S	Bend	trans	-82.1	-26	-167.9	54	0	0	0	0	116.6	A586 I587	A586-S590 WeakPolarHBondContact O-CB 3.25Å; A586-S590 PolarHBondContact O-N 2.89Å; A586-S590 VanDerWaalsContact O-N 3.07Å; A586-S590 PolarHBondContact O-OG 3.14Å; I587-S590 PolarHBondContact O-OG 2.97Å; I587-S590 VanDerWaalsContact O-OG 3.11Å
591	E	87.6	Confident	91.8	Very high	29 Å²	29	86.1 Å²	86.1	14%	0.136	40%	0.401	C	S	.	.	S	Bend	trans	-121.4	179	-176.5	-71.8	-160.1	142.4	0	0	111.9	C595 H631 I633 E634 D635 F639	E591-C595 VanDerWaalsContact CB-SG 3.58Å; E591-C595 PolarHBondContact OE2-SG 3.38Å; E591-H631 VanDerWaalsContact CD-NE2 3.33Å; E591-H631 WeakPolarHBondContact CG-NE2 3.26Å; E591-H631 IonicContact OE1-NE2 3.26Å; E591-H631 IonicContact OE2-CE1 2.7Å; E591-H631 PolarHBondContact OE2-CE1 2.53Å; E591-H631 IonicContact OE2-NE2 3.41Å; E591-I633 WeakPolarHBondContact OE1-CA 3.36Å; E591-E634 PolarHBondContact OE1-N 3.05Å; E591-D635 PolarHBondContact OE1-N 2.88Å; E591-F639 HydrophobicContact CG-CD2 4.11Å
592	Q	86	Confident	91.8	Very high	107 Å²	107	82.5 Å²	82.5	50%	0.5	39%	0.392	S	S	.	.			trans	-59.9	143.6	176.6	-167.9	65.7	53.8	0	0	110.7	W594 C595	Q592-W594 PolarHBondContact O-N 3.49Å; Q592-C595 PolarHBondContact O-N 2.84Å; Q592-C595 PolarHBondContact O-SG 2.87Å
593	E	82.1	Confident	91.6	Very high	160 Å²	160	77.9 Å²	77.9	75%	0.748	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.3	176.1	-61.7	174.2	168.8	0	0	114.1
594	W	84.5	Confident	91.3	Very high	218 Å²	218	87.6 Å²	87.6	83%	0.826	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	38.9	-173.8	-57.2	100.3	0	0	0	112.9	Q592	Q592-W594 PolarHBondContact O-N 3.49Å
595	C	87.4	Confident	90.9	Very high	30 Å²	30	92.3 Å²	92.3	20%	0.203	44%	0.436	C	S	.	.			trans	-66.2	152.5	169.2	-65.3	0	0	0	0	111.9	E591 Q592 E634	E591-C595 VanDerWaalsContact CB-SG 3.58Å; E591-C595 PolarHBondContact OE2-SG 3.38Å; Q592-C595 PolarHBondContact O-N 2.84Å; Q592-C595 PolarHBondContact O-SG 2.87Å; C595-E634 WeakPolarHBondContact CA-OE2 3.34Å
596	I	90.5	Very high	90.6	Very high	160 Å²	160	92.6 Å²	92.6	82%	0.821	44%	0.437	S	S	*	.	S	Bend	trans	-77.7	-40.6	177.9	-61.3	174.1	0	0	0	110.4	E634	I596-E634 PolarHBondContact N-OE1 2.85Å; I596-E634 VanDerWaalsContact N-OE1 3.07Å; I596-E634 PolarHBondContact N-OE2 2.91Å
597	N	92.2	Very high	90.2	Very high	69 Å²	69	94.6 Å²	94.6	37%	0.369	45%	0.45	S	S	.	.	S	Bend	trans	-84.1	151.4	177.2	-66.2	-78.1	0	0	0	111	Q599 V632 E634	N597-Q599 PolarHBondContact O-N 2.72Å; N597-V632 HydrophobicContact CB-CB 4.26Å; N597-E634 VanDerWaalsContact CB-OE1 3.32Å; N597-E634 WeakPolarHBondContact CB-OE1 3.08Å; N597-E634 PolarHBondContact N-OE1 3.21Å; N597-E634 PolarHBondContact ND2-OE1 3.2Å
598	K	91.5	Very high	90.1	Very high	177 Å²	177	94.7 Å²	94.7	77%	0.77	45%	0.45	S	S	*	.			trans	-64.6	122.1	170.4	-64.7	-175.5	179.8	-174.3	0	108.8	L600	K598-L600 VanDerWaalsContact C-N 3.34Å; K598-L600 PolarHBondContact O-N 3.45Å
599	Q	91.6	Very high	90	Very high	47 Å²	47	93.8 Å²	93.8	22%	0.22	44%	0.443	C	S	.	.	S	Bend	trans	-51	-52.2	179.9	-68.1	168.4	-30.7	0	0	111.4	I587 E588 N597 H631	I587-Q599 WeakPolarHBondContact CG2-O 3.44Å; E588-Q599 PolarHBondContact O-NE2 3.33Å; E588-Q599 PolarHBondContact O-OE1 2.78Å; E588-Q599 VanDerWaalsContact O-OE1 3.13Å; N597-Q599 PolarHBondContact O-N 2.72Å; Q599-H631 WeakPolarHBondContact O-CA 3.23Å; Q599-H631 VanDerWaalsContact O-CB 3.32Å; Q599-H631 WeakPolarHBondContact O-CB 3.11Å; Q599-H631 PolarHBondContact O-ND1 3.05Å
600	L	93.3	Very high	90	Very high	40 Å²	40	90.8 Å²	90.8	21%	0.209	44%	0.441	C	S	.	.			trans	-105.6	122.8	-179.1	-170.7	145.1	0	0	0	113.1	K584 I587 E588 K598 F629	K584-L600 HydrophobicContact CB-CD1 4.09Å; K584-L600 HydrophobicContact CG-CD1 3.74Å; I587-L600 HydrophobicContact CG2-CB 4.04Å; I587-L600 HydrophobicContact CG2-CD1 4.37Å; I587-L600 HydrophobicContact CG2-CG 4.45Å; E588-L600 HydrophobicContact CG-CB 4.37Å; E588-L600 HydrophobicContact CG-CD1 4.42Å; K598-L600 VanDerWaalsContact C-N 3.34Å; K598-L600 PolarHBondContact O-N 3.45Å; L600-F629 HydrophobicContact CD1-CD1 3.99Å; L600-F629 HydrophobicContact CD1-CE1 4.26Å; L600-F629 HydrophobicContact CD1-CG 4.22Å; L600-F629 HydrophobicContact CD2-CD1 3.77Å; L600-F629 HydrophobicContact CD2-CE1 4.04Å; L600-F629 HydrophobicContact CG-CD1 4Å; L600-F629 HydrophobicContact CG-CG 4.43Å
601	V	94.2	Very high	90.1	Very high	43 Å²	43	90.5 Å²	90.5	26%	0.261	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.3	170.7	-174.8	0	0	0	0	109.3	A611 F629 A630	V601-A611 HydrophobicContact CG1-CB 4.15Å; V601-F629 CarbonylContact O-C 3.56Å; V601-F629 WeakPolarHBondContact O-CA 3.44Å; V601-A630 WeakPolarHBondContact CA-O 3.39Å; V601-A630 WeakPolarHBondContact CB-O 3.47Å; V601-A630 PolarHBondContact N-O 2.67Å; V601-A630 PolarHBondContact O-N 2.72Å
602	S	94.3	Very high	90.4	Very high	61 Å²	61	89.3 Å²	89.3	43%	0.427	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	175.8	-178	0	0	0	0	111.7	R604	S602-R604 VanDerWaalsContact C-N 3.31Å; S602-R604 PolarHBondContact O-N 3.01Å
603	L	93.4	Very high	90.7	Very high	20 Å²	20	88.1 Å²	88.1	11%	0.105	44%	0.437	C	S	.	.			trans	-92.3	19.3	179.1	-57.5	-179.7	0	0	0	113.2	Q605 K606 L608 A611 G628 A630	L603-Q605 VanDerWaalsContact C-N 3.33Å; L603-Q605 PolarHBondContact O-N 2.97Å; L603-K606 CarbonylContact C-O 3.47Å; L603-K606 WeakPolarHBondContact CA-O 3.43Å; L603-K606 WeakPolarHBondContact CB-O 3.09Å; L603-K606 VanDerWaalsContact O-O 3.12Å; L603-L608 HydrophobicContact CD1-CB 4.38Å; L603-A611 HydrophobicContact CD2-CB 3.62Å; L603-G628 WeakPolarHBondContact CB-O 3.24Å; L603-G628 PolarHBondContact N-O 2.85Å; L603-A630 HydrophobicContact CD1-CB 4.19Å; L603-A630 HydrophobicContact CD2-CB 4.21Å; L603-A630 HydrophobicContact CG-CB 4.34Å
604	R	89.7	Confident	91.2	Very high	204 Å²	204	85.4 Å²	85.4	77%	0.77	42%	0.423	S	S	*	.	S	Bend	trans	-69.5	-28.1	-178.7	-166.2	176	-177	-141	1.1	113.9	S602 S627	S602-R604 VanDerWaalsContact C-N 3.31Å; S602-R604 PolarHBondContact O-N 3.01Å; R604-S627 VanDerWaalsContact CA-CB 3.43Å
605	Q	87.3	Confident	91.3	Very high	191 Å²	191	76.3 Å²	76.3	89%	0.893	40%	0.397	S	S	*	.	S	Bend	trans	-113.1	-16.4	-179.6	-67.2	178.1	-18.2	0	0	113.6	L603	L603-Q605 VanDerWaalsContact C-N 3.33Å; L603-Q605 PolarHBondContact O-N 2.97Å
606	K	88.5	Confident	91.6	Very high	125 Å²	125	78.2 Å²	78.2	54%	0.543	40%	0.404	S	S	.	.	S	Bend	trans	-133.4	139.3	-173	-63.7	-174.7	-179.5	-175.3	0	109.9	L603 A611	L603-K606 CarbonylContact C-O 3.47Å; L603-K606 WeakPolarHBondContact CA-O 3.43Å; L603-K606 WeakPolarHBondContact CB-O 3.09Å; L603-K606 VanDerWaalsContact O-O 3.12Å; K606-A611 HydrophobicContact CB-CB 4.37Å
607	S	89.3	Confident	91.8	Very high	62 Å²	62	71.4 Å²	71.4	43%	0.434	37%	0.37	S	S	.	.			trans	-68.1	155.6	168.7	65.4	0	0	0	0	110.6	R609 A610 A611	S607-R609 PolarHBondContact O-N 2.96Å; S607-A610 CarbonylContact O-C 3.49Å; S607-A610 PolarHBondContact O-N 3.07Å; S607-A611 WeakPolarHBondContact O-CB 3.46Å; S607-A611 PolarHBondContact O-N 3.2Å
608	L	91.9	Very high	91.9	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-46.9	-48.1	176.1	174	66.3	0	0	0	112.1	C520 T521 W528 L603 A610 A611 I612 Y618 W620 A630	C520-L608 HydrophobicContact CB-CD2 3.96Å; T521-L608 HydrophobicContact CG2-CG 4.42Å; W528-L608 HydrophobicContact CH2-CB 4.38Å; W528-L608 HydrophobicContact CH2-CD2 4.25Å; W528-L608 HydrophobicContact CZ3-CD2 4.39Å; L603-L608 HydrophobicContact CD1-CB 4.38Å; L608-A610 PolarHBondContact O-N 3.45Å; L608-A611 PolarHBondContact O-N 3.45Å; L608-I612 HydrophobicContact CD1-CD1 4.13Å; L608-I612 HydrophobicContact CD1-CG1 4.38Å; L608-I612 PolarHBondContact O-N 2.7Å; L608-Y618 HydrophobicContact CD1-CD2 4.19Å; L608-Y618 HydrophobicContact CD1-CE2 4.02Å; L608-Y618 HydrophobicContact CD2-CE2 3.95Å; L608-Y618 HydrophobicContact CG-CE2 4.47Å; L608-W620 HydrophobicContact CD1-CB 3.88Å; L608-W620 HydrophobicContact CD1-CG 3.94Å; L608-W620 HydrophobicContact CD2-CB 4.1Å; L608-W620 HydrophobicContact CD2-CD2 3.7Å; L608-W620 HydrophobicContact CD2-CE3 3.81Å; L608-W620 HydrophobicContact CD2-CG 3.8Å; L608-W620 HydrophobicContact CG-CG 4.36Å; L608-A630 HydrophobicContact CD1-CB 4.02Å
609	R	91	Very high	92.2	Very high	59 Å²	59	59.7 Å²	59.7	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-72.4	-14.3	-175.4	-55.2	-173.3	-65.5	135.3	16.3	113.8	C520 L523 E525 W528 S607	C520-R609 VanDerWaalsContact O-CD 3.3Å; C520-R609 WeakPolarHBondContact O-CD 3.17Å; L523-R609 PolarHBondContact O-NH1 2.99Å; E525-R609 VanDerWaalsContact CD-NH1 3.3Å; E525-R609 IonicContact OE1-CZ 3.83Å; E525-R609 VanDerWaalsContact OE1-CZ 3.25Å; E525-R609 IonicContact OE1-NH1 3Å; E525-R609 PolarHBondContact OE1-NH1 2.88Å; E525-R609 IonicContact OE1-NH2 3.47Å; E525-R609 PolarHBondContact OE1-NH2 2.68Å; E525-R609 IonicContact OE2-CZ 3.2Å; E525-R609 IonicContact OE2-NH1 2.67Å; E525-R609 IonicContact OE2-NH2 3.31Å; E525-R609 PolarHBondContact OE2-NH2 3.17Å; W528-R609 VanDerWaalsContact CD1-NH2 3.29Å; W528-R609 VanDerWaalsContact CG-NE 3.34Å; S607-R609 PolarHBondContact O-N 2.96Å
610	A	92.6	Very high	92.4	Very high	68 Å²	68	57.7 Å²	57.7	56%	0.562	31%	0.307	S	S	*	.	H	α-helix	trans	-99.3	-11.2	170.2	0	0	0	0	0	113.1	S607 L608	S607-A610 CarbonylContact O-C 3.49Å; S607-A610 PolarHBondContact O-N 3.07Å; L608-A610 PolarHBondContact O-N 3.45Å
611	A	93.5	Very high	92.6	Very high	27 Å²	27	55.8 Å²	55.8	22%	0.223	30%	0.297	C	S	.	.	H	α-helix	trans	-96.6	-38.2	179.3	0	0	0	0	0	112.5	V601 L603 K606 S607 L608	V601-A611 HydrophobicContact CG1-CB 4.15Å; L603-A611 HydrophobicContact CD2-CB 3.62Å; K606-A611 HydrophobicContact CB-CB 4.37Å; S607-A611 WeakPolarHBondContact O-CB 3.46Å; S607-A611 PolarHBondContact O-N 3.2Å; L608-A611 PolarHBondContact O-N 3.45Å
612	I	94.3	Very high	92.6	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.015	29%	0.29	C	S	.	.	S	Bend	trans	-117.1	122.4	-176.8	-62	-168.2	0	0	0	110.6	T521 L608 Y618 A630 V632	T521-I612 HydrophobicContact CG2-CB 4.34Å; T521-I612 HydrophobicContact CG2-CG2 4.31Å; L608-I612 HydrophobicContact CD1-CD1 4.13Å; L608-I612 HydrophobicContact CD1-CG1 4.38Å; L608-I612 PolarHBondContact O-N 2.7Å; I612-Y618 HydrophobicContact CD1-CD2 4.22Å; I612-Y618 HydrophobicContact CD1-CG 3.91Å; I612-Y618 HydrophobicContact CG2-CD1 3.93Å; I612-Y618 HydrophobicContact CG2-CG 4.18Å; I612-A630 HydrophobicContact CD1-CB 3.6Å; I612-A630 HydrophobicContact CG1-CB 4.39Å; I612-V632 HydrophobicContact CD1-CG2 4.17Å; I612-V632 HydrophobicContact CG1-CG2 4.38Å; I612-V632 HydrophobicContact CG2-CG2 4.49Å
613	P	92.2	Very high	92.6	Very high	82 Å²	82	52.2 Å²	52.2	53%	0.532	27%	0.271	S	S	.	.			trans	-60.2	154.3	173.8	-24.8	34.4	0	0	0	114.1	L616	P613-L616 HydrophobicContact CB-CD1 4.33Å; P613-L616 HydrophobicContact CG-CD1 4.26Å
614	K	91.7	Very high	92.5	Very high	104 Å²	104	51.3 Å²	51.3	45%	0.452	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	139.6	173.6	-58.1	-167.6	-177.3	-168.3	0	110.8	T521	T521-K614 WeakPolarHBondContact O-CE 3.38Å; T521-K614 WeakPolarHBondContact O-CG 3.48Å
615	G	88	Confident	92.3	Very high	27 Å²	27	46.8 Å²	46.8	28%	0.278	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-13.4	174.2	0	0	0	0	0	115.8	Q351	Q351-G615 WeakPolarHBondContact O-CA 3.29Å
616	L	91.9	Very high	92	Very high	69 Å²	69	43.2 Å²	43.2	36%	0.361	24%	0.241	S	C	.	.	S	Bend	trans	-85.6	138.6	172.3	-64.5	178.4	0	0	0	111	P613 Y618 V632	P613-L616 HydrophobicContact CB-CD1 4.33Å; P613-L616 HydrophobicContact CG-CD1 4.26Å; L616-Y618 WeakPolarHBondContact O-CD1 3.32Å; L616-V632 HydrophobicContact CB-CG1 4.35Å; L616-V632 HydrophobicContact CD1-CG1 4.34Å
617	P	94.6	Very high	91.9	Very high	17 Å²	17	39.5 Å²	39.5	11%	0.11	23%	0.232	C	C	.	.			trans	-63.5	144.4	168.4	-23.1	36	0	0	0	112.2	A555 I633 E636	A555-P617 CarbonylContact O-C 3.58Å; A555-P617 WeakPolarHBondContact O-CA 3.44Å; A555-P617 WeakPolarHBondContact O-CB 3.32Å; P617-I633 HydrophobicContact CB-CB 4.08Å; P617-I633 PolarHBondContact O-N 3.09Å; P617-E636 HydrophobicContact CB-CG 4.43Å; P617-E636 HydrophobicContact CG-CG 4.02Å; P617-E636 WeakPolarHBondContact CG-OE1 3.33Å
618	Y	95.9	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.2	179.8	67.1	-91.1	0	0	0	114.4	C519 C520 T521 E553 A555 L608 I612 L616 W620 H631	C519-Y618 HydrophobicContact CB-CE1 4.1Å; C520-Y618 PolarHBondContact N-OH 3.08Å; T521-Y618 HydrophobicContact CG2-CD1 4.29Å; T521-Y618 HydrophobicContact CG2-CE1 3.54Å; T521-Y618 PolarHBondContact N-OH 2.97Å; E553-Y618 PolarHBondContact OE1-OH 2.89Å; E553-Y618 VanDerWaalsContact OE1-OH 3.1Å; E553-Y618 VanDerWaalsContact OE2-CE2 3.25Å; E553-Y618 WeakPolarHBondContact OE2-CE2 3.27Å; E553-Y618 VanDerWaalsContact OE2-CZ 3.31Å; E553-Y618 PolarHBondContact OE2-OH 2.79Å; A555-Y618 HydrophobicContact CB-CD1 3.83Å; A555-Y618 HydrophobicContact CB-CD2 4.32Å; A555-Y618 HydrophobicContact CB-CE1 3.61Å; A555-Y618 HydrophobicContact CB-CE2 4.11Å; A555-Y618 HydrophobicContact CB-CG 4.17Å; A555-Y618 PolarHBondContact N-O 3.3Å; A555-Y618 PolarHBondContact O-N 2.93Å; L608-Y618 HydrophobicContact CD1-CD2 4.19Å; L608-Y618 HydrophobicContact CD1-CE2 4.02Å; L608-Y618 HydrophobicContact CD2-CE2 3.95Å; L608-Y618 HydrophobicContact CG-CE2 4.47Å; I612-Y618 HydrophobicContact CD1-CD2 4.22Å; I612-Y618 HydrophobicContact CD1-CG 3.91Å; I612-Y618 HydrophobicContact CG2-CD1 3.93Å; I612-Y618 HydrophobicContact CG2-CG 4.18Å; L616-Y618 WeakPolarHBondContact O-CD1 3.32Å; Y618-W620 HydrophobicContact CD2-CB 4.03Å; Y618-W620 HydrophobicContact CE2-CB 3.89Å; Y618-H631 CarbonylContact C-O 3.56Å; Y618-H631 WeakPolarHBondContact CA-O 3.19Å; Y618-H631 VanDerWaalsContact CB-O 3.26Å; Y618-H631 WeakPolarHBondContact CB-O 3.31Å
619	V	96.4	Very high	92.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.1	159.1	-179.1	0	0	0	0	109.1	E553 I554 V621 A630 H631 I633 F639 F643	E553-V619 WeakPolarHBondContact O-CA 3.44Å; I554-V619 HydrophobicContact CG1-CG1 4.25Å; I554-V619 HydrophobicContact CG1-CG2 4.16Å; I554-V619 HydrophobicContact CG2-CG2 4.31Å; V619-V621 HydrophobicContact CG1-CG2 3.98Å; V619-A630 CarbonylContact O-C 3.53Å; V619-A630 WeakPolarHBondContact O-CA 3.42Å; V619-H631 PolarHBondContact N-O 3.4Å; V619-H631 PolarHBondContact O-N 3.04Å; V619-I633 HydrophobicContact CG2-CD1 3.79Å; V619-I633 HydrophobicContact CG2-CG1 4.04Å; V619-F639 HydrophobicContact CG2-CE1 3.48Å; V619-F639 VanDerWaalsContact CG2-CE1 3.48Å; V619-F639 HydrophobicContact CG2-CE2 4.4Å; V619-F639 HydrophobicContact CG2-CZ 3.42Å; V619-F639 VanDerWaalsContact CG2-CZ 3.42Å; V619-F643 HydrophobicContact CG1-CD1 4.27Å; V619-F643 HydrophobicContact CG1-CE1 4.49Å; V619-F643 HydrophobicContact CG2-CD1 4.41Å
620	W	96.4	Very high	92.6	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.7	170.1	167.6	47.4	0	0	0	109.4	W528 Y552 E553 V566 L608 Y618 H622	W528-W620 AromaticContact CH2-CH2 3.68Å; W528-W620 HydrophobicContact CH2-CH2 3.68Å; W528-W620 AromaticContact CH2-CZ2 3.96Å; W528-W620 HydrophobicContact CH2-CZ2 3.96Å; W528-W620 HydrophobicContact CH2-CZ3 4.11Å; W528-W620 HydrophobicContact CZ3-CH2 4.06Å; W528-W620 HydrophobicContact CZ3-CZ3 4.11Å; Y552-W620 CarbonylContact C-O 3.08Å; Y552-W620 WeakPolarHBondContact CA-O 3.32Å; Y552-W620 VanDerWaalsContact CB-O 3.31Å; Y552-W620 WeakPolarHBondContact CB-O 3.36Å; E553-W620 HydrophobicContact CB-CB 4.46Å; E553-W620 HydrophobicContact CB-CE3 3.92Å; E553-W620 PolarHBondContact N-O 2.92Å; E553-W620 PolarHBondContact O-N 3.36Å; V566-W620 HydrophobicContact CG1-CH2 4.49Å; V566-W620 HydrophobicContact CG1-CZ3 3.97Å; V566-W620 HydrophobicContact CG2-CZ3 4Å; L608-W620 HydrophobicContact CD1-CB 3.88Å; L608-W620 HydrophobicContact CD1-CG 3.94Å; L608-W620 HydrophobicContact CD2-CB 4.1Å; L608-W620 HydrophobicContact CD2-CD2 3.7Å; L608-W620 HydrophobicContact CD2-CE3 3.81Å; L608-W620 HydrophobicContact CD2-CG 3.8Å; L608-W620 HydrophobicContact CG-CG 4.36Å; Y618-W620 HydrophobicContact CD2-CB 4.03Å; Y618-W620 HydrophobicContact CE2-CB 3.89Å; W620-H622 HydrophobicContact CZ2-CB 3.87Å; W620-H622 AromaticContact CZ2-CD2 3.85Å
621	V	96.7	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.8	176.2	-173.1	0	0	0	0	108.9	V550 F551 F583 V619 F623 G628 F629	V550-V621 HydrophobicContact CG1-CG1 3.66Å; F551-V621 CarbonylContact O-C 3.43Å; F551-V621 WeakPolarHBondContact O-CA 3.36Å; F583-V621 HydrophobicContact CD1-CB 4.27Å; F583-V621 HydrophobicContact CD1-CG1 3.91Å; F583-V621 HydrophobicContact CD1-CG2 3.69Å; F583-V621 HydrophobicContact CD2-CG1 4.21Å; F583-V621 HydrophobicContact CE1-CB 4.42Å; F583-V621 HydrophobicContact CE1-CG1 3.9Å; F583-V621 HydrophobicContact CE1-CG2 3.67Å; F583-V621 HydrophobicContact CE2-CG1 4.21Å; F583-V621 HydrophobicContact CG-CG1 4.05Å; F583-V621 HydrophobicContact CZ-CG1 4.04Å; V619-V621 HydrophobicContact CG1-CG2 3.98Å; V621-F623 HydrophobicContact CB-CZ 4.48Å; V621-F623 HydrophobicContact CG1-CE1 3.8Å; V621-F623 HydrophobicContact CG1-CE2 4.39Å; V621-F623 HydrophobicContact CG1-CZ 3.67Å; V621-G628 CarbonylContact O-C 3.49Å; V621-G628 WeakPolarHBondContact O-CA 3.31Å; V621-F629 PolarHBondContact N-O 3.45Å; V621-F629 PolarHBondContact O-N 3.37Å; V621-F629 VanDerWaalsContact O-O 3.07Å
622	H	95.3	Very high	92.8	Very high	24 Å²	24	31 Å²	31	11%	0.111	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	128.8	-179.3	-165.7	-49.6	0	0	0	109.8	R535 F551 W620 D626	R535-H622 VanDerWaalsContact CZ-NE2 3.32Å; R535-H622 PolarHBondContact NH1-CE1 3.3Å; R535-H622 PolarHBondContact NH2-NE2 2.98Å; F551-H622 HydrophobicContact CB-CB 4.33Å; F551-H622 PolarHBondContact N-O 3.05Å; F551-H622 PolarHBondContact O-N 3.2Å; W620-H622 HydrophobicContact CZ2-CB 3.87Å; W620-H622 AromaticContact CZ2-CD2 3.85Å; H622-D626 PolarHBondContact CE1-O 3.16Å; H622-D626 PolarHBondContact ND1-O 3.5Å
623	F	95	Very high	92.8	Very high	5 Å²	5	31 Å²	31	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.8	-177.8	-49.2	-77.1	0	0	0	108.9	V550 A579 P580 F583 V621 M625 D626 F629	V550-F623 HydrophobicContact CG1-CD1 4.42Å; V550-F623 HydrophobicContact CG1-CE1 4.33Å; V550-F623 HydrophobicContact CG2-CD1 4.1Å; V550-F623 HydrophobicContact CG2-CE1 4.48Å; A579-F623 HydrophobicContact CB-CD1 3.83Å; A579-F623 HydrophobicContact CB-CE1 3.85Å; P580-F623 HydrophobicContact CB-CD2 4.37Å; P580-F623 HydrophobicContact CB-CE2 4.16Å; P580-F623 HydrophobicContact CB-CZ 4.39Å; P580-F623 HydrophobicContact CG-CD1 4.23Å; P580-F623 HydrophobicContact CG-CD2 3.97Å; P580-F623 HydrophobicContact CG-CE1 4.45Å; P580-F623 HydrophobicContact CG-CE2 4.21Å; P580-F623 HydrophobicContact CG-CG 4Å; P580-F623 HydrophobicContact CG-CZ 4.46Å; F583-F623 HydrophobicContact CB-CE1 4.38Å; F583-F623 HydrophobicContact CB-CZ 3.83Å; F583-F623 AromaticContact CD2-CE1 3.65Å; F583-F623 HydrophobicContact CD2-CE1 3.65Å; F583-F623 AromaticContact CD2-CZ 3.97Å; F583-F623 HydrophobicContact CD2-CZ 3.97Å; F583-F623 HydrophobicContact CE2-CE1 4.25Å; F583-F623 HydrophobicContact CG-CE1 4.21Å; F583-F623 HydrophobicContact CG-CZ 4.05Å; V621-F623 HydrophobicContact CB-CZ 4.48Å; V621-F623 HydrophobicContact CG1-CE1 3.8Å; V621-F623 HydrophobicContact CG1-CE2 4.39Å; V621-F623 HydrophobicContact CG1-CZ 3.67Å; F623-M625 CarbonylContact O-C 3.58Å; F623-M625 PolarHBondContact O-N 3.43Å; F623-M625 VanDerWaalsContact O-N 3.08Å; F623-D626 PolarHBondContact O-N 3.29Å; F623-D626 VanDerWaalsContact O-O 3.05Å; F623-F629 AromaticContact CE2-CD2 3.67Å; F623-F629 HydrophobicContact CE2-CD2 3.67Å; F623-F629 AromaticContact CE2-CE2 3.74Å; F623-F629 HydrophobicContact CE2-CE2 3.74Å; F623-F629 AromaticContact CZ-CD2 4Å; F623-F629 HydrophobicContact CZ-CD2 4Å; F623-F629 HydrophobicContact CZ-CE2 4.16Å
624	G	89.9	Confident	92.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	36.9	-109.1	175.3	0	0	0	0	0	115.2	R535 T539 D548 V549	R535-G624 PolarHBondContact NH1-O 2.97Å; T539-G624 PolarHBondContact OG1-O 3.25Å; D548-G624 WeakPolarHBondContact OD1-CA 3.42Å; V549-G624 PolarHBondContact O-N 3.37Å
625	M	86	Confident	92.8	Very high	109 Å²	109	28.4 Å²	28.4	54%	0.537	16%	0.156	S	C	.	.	S	Bend	trans	-101.1	-16.7	169.8	-73.9	-60.7	-66	0	0	113.6	K536 T539 F623	K536-M625 HydrophobicContact CG-CE 4.25Å; K536-M625 HydrophobicContact CG-SD 4.22Å; T539-M625 HydrophobicContact CG2-CG 4.02Å; F623-M625 CarbonylContact O-C 3.58Å; F623-M625 PolarHBondContact O-N 3.43Å; F623-M625 VanDerWaalsContact O-N 3.08Å
626	D	81.1	Confident	93	Very high	116 Å²	116	29.2 Å²	29.2	62%	0.62	15%	0.153	S	C	*	.	S	Bend	trans	-79.7	166.6	-171.2	-65.1	-51.3	0	0	0	114.6	H622 F623 G628	H622-D626 PolarHBondContact CE1-O 3.16Å; H622-D626 PolarHBondContact ND1-O 3.5Å; F623-D626 PolarHBondContact O-N 3.29Å; F623-D626 VanDerWaalsContact O-O 3.05Å; D626-G628 PolarHBondContact O-N 3.12Å
627	S	85.7	Confident	92.9	Very high	48 Å²	48	32.3 Å²	32.3	34%	0.336	17%	0.169	S	C	.	.			trans	-62.1	135.6	-176.3	59.3	0	0	0	0	113.6	R604	R604-S627 VanDerWaalsContact CA-CB 3.43Å
628	G	93.9	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.			trans	-89.2	-175.5	176.8	0	0	0	0	0	116.1	L603 V621 D626	L603-G628 WeakPolarHBondContact CB-O 3.24Å; L603-G628 PolarHBondContact N-O 2.85Å; V621-G628 CarbonylContact O-C 3.49Å; V621-G628 WeakPolarHBondContact O-CA 3.31Å; D626-G628 PolarHBondContact O-N 3.12Å
629	F	96.4	Very high	92.5	Very high	26 Å²	26	40.7 Å²	40.7	11%	0.114	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155.7	167.7	-58	-59.8	0	0	0	110.3	P580 F583 K584 I587 L600 V601 V621 F623	P580-F629 HydrophobicContact CB-CE2 4.14Å; P580-F629 WeakPolarHBondContact O-CE2 3.47Å; F583-F629 HydrophobicContact CB-CD2 4.45Å; K584-F629 HydrophobicContact CB-CE2 4.16Å; K584-F629 HydrophobicContact CB-CZ 4.28Å; I587-F629 HydrophobicContact CD1-CB 4.02Å; L600-F629 HydrophobicContact CD1-CD1 3.99Å; L600-F629 HydrophobicContact CD1-CE1 4.26Å; L600-F629 HydrophobicContact CD1-CG 4.22Å; L600-F629 HydrophobicContact CD2-CD1 3.77Å; L600-F629 HydrophobicContact CD2-CE1 4.04Å; L600-F629 HydrophobicContact CG-CD1 4Å; L600-F629 HydrophobicContact CG-CG 4.43Å; V601-F629 CarbonylContact O-C 3.56Å; V601-F629 WeakPolarHBondContact O-CA 3.44Å; V621-F629 PolarHBondContact N-O 3.45Å; V621-F629 PolarHBondContact O-N 3.37Å; V621-F629 VanDerWaalsContact O-O 3.07Å; F623-F629 AromaticContact CE2-CD2 3.67Å; F623-F629 HydrophobicContact CE2-CD2 3.67Å; F623-F629 AromaticContact CE2-CE2 3.74Å; F623-F629 HydrophobicContact CE2-CE2 3.74Å; F623-F629 AromaticContact CZ-CD2 4Å; F623-F629 HydrophobicContact CZ-CD2 4Å; F623-F629 HydrophobicContact CZ-CE2 4.16Å
630	A	96.2	Very high	92.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.6	164.8	0	0	0	0	0	110.8	V601 L603 L608 I612 V619	V601-A630 WeakPolarHBondContact CA-O 3.39Å; V601-A630 WeakPolarHBondContact CB-O 3.47Å; V601-A630 PolarHBondContact N-O 2.67Å; V601-A630 PolarHBondContact O-N 2.72Å; L603-A630 HydrophobicContact CD1-CB 4.19Å; L603-A630 HydrophobicContact CD2-CB 4.21Å; L603-A630 HydrophobicContact CG-CB 4.34Å; L608-A630 HydrophobicContact CD1-CB 4.02Å; I612-A630 HydrophobicContact CD1-CB 3.6Å; I612-A630 HydrophobicContact CG1-CB 4.39Å; V619-A630 CarbonylContact O-C 3.53Å; V619-A630 WeakPolarHBondContact O-CA 3.42Å
631	H	95.4	Very high	92.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.7	-176.7	169.4	52.9	0	0	0	108.1	I587 E591 Q599 Y618 V619 F639	I587-H631 HydrophobicContact CG2-CB 3.81Å; E591-H631 VanDerWaalsContact CD-NE2 3.33Å; E591-H631 WeakPolarHBondContact CG-NE2 3.26Å; E591-H631 IonicContact OE1-NE2 3.26Å; E591-H631 IonicContact OE2-CE1 2.7Å; E591-H631 PolarHBondContact OE2-CE1 2.53Å; E591-H631 IonicContact OE2-NE2 3.41Å; Q599-H631 WeakPolarHBondContact O-CA 3.23Å; Q599-H631 VanDerWaalsContact O-CB 3.32Å; Q599-H631 WeakPolarHBondContact O-CB 3.11Å; Q599-H631 PolarHBondContact O-ND1 3.05Å; Y618-H631 CarbonylContact C-O 3.56Å; Y618-H631 WeakPolarHBondContact CA-O 3.19Å; Y618-H631 VanDerWaalsContact CB-O 3.26Å; Y618-H631 WeakPolarHBondContact CB-O 3.31Å; V619-H631 PolarHBondContact N-O 3.4Å; V619-H631 PolarHBondContact O-N 3.04Å; H631-F639 AromaticContact CD2-CE2 3.67Å; H631-F639 AromaticContact NE2-CE2 3.68Å
632	V	95.5	Very high	91.9	Very high	13 Å²	13	48.3 Å²	48.3	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.7	172.7	177.4	0	0	0	0	107.4	N597 I612 L616	N597-V632 HydrophobicContact CB-CB 4.26Å; I612-V632 HydrophobicContact CD1-CG2 4.17Å; I612-V632 HydrophobicContact CG1-CG2 4.38Å; I612-V632 HydrophobicContact CG2-CG2 4.49Å; L616-V632 HydrophobicContact CB-CG1 4.35Å; L616-V632 HydrophobicContact CD1-CG1 4.34Å
633	I	94.9	Very high	91.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.252	C	S	.	.			trans	-86	122.5	179.4	-55.6	163.1	0	0	0	107.9	I554 N556 E591 P617 V619 F639	I554-I633 HydrophobicContact CG2-CD1 4.46Å; N556-I633 HydrophobicContact CB-CD1 4.33Å; E591-I633 WeakPolarHBondContact OE1-CA 3.36Å; P617-I633 HydrophobicContact CB-CB 4.08Å; P617-I633 PolarHBondContact O-N 3.09Å; V619-I633 HydrophobicContact CG2-CD1 3.79Å; V619-I633 HydrophobicContact CG2-CG1 4.04Å; I633-F639 HydrophobicContact CD1-CD1 3.92Å; I633-F639 HydrophobicContact CD1-CE1 4.13Å; I633-F639 HydrophobicContact CD1-CG 4.22Å; I633-F639 HydrophobicContact CG1-CD1 4.25Å; I633-F639 HydrophobicContact CG1-CD2 4.13Å; I633-F639 HydrophobicContact CG1-CE1 4.39Å; I633-F639 HydrophobicContact CG1-CE2 4.28Å; I633-F639 HydrophobicContact CG1-CG 4.12Å; I633-F639 HydrophobicContact CG1-CZ 4.43Å; I633-F639 HydrophobicContact CG2-CB 3.57Å; I633-F639 HydrophobicContact CG2-CD1 4.44Å; I633-F639 HydrophobicContact CG2-CD2 3.95Å; I633-F639 HydrophobicContact CG2-CG 3.72Å
634	E	92.3	Very high	91.9	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	25%	0.251	S	S	.	.	S	Bend	trans	-94.8	-43.8	177.3	-64.7	-170.8	179.6	0	0	111.8	E591 C595 I596 N597	E591-E634 PolarHBondContact OE1-N 3.05Å; C595-E634 WeakPolarHBondContact CA-OE2 3.34Å; I596-E634 PolarHBondContact N-OE1 2.85Å; I596-E634 VanDerWaalsContact N-OE1 3.07Å; I596-E634 PolarHBondContact N-OE2 2.91Å; N597-E634 VanDerWaalsContact CB-OE1 3.32Å; N597-E634 WeakPolarHBondContact CB-OE1 3.08Å; N597-E634 PolarHBondContact N-OE1 3.21Å; N597-E634 PolarHBondContact ND2-OE1 3.2Å
635	D	91.6	Very high	92.1	Very high	60 Å²	60	48.7 Å²	48.7	32%	0.321	26%	0.256	S	S	.	.			trans	-102.4	86.2	178.6	-166.7	-34.1	0	0	0	111.1	E591 D637 R638 F639	E591-D635 PolarHBondContact OE1-N 2.88Å; D635-D637 PolarHBondContact O-N 2.7Å; D635-D637 PolarHBondContact OD1-N 3.3Å; D635-D637 VanDerWaalsContact OD1-N 3.15Å; D635-R638 HydrophobicContact CB-CB 4.15Å; D635-R638 HydrophobicContact CB-CG 4.42Å; D635-R638 PolarHBondContact O-N 3.19Å; D635-R638 PolarHBondContact OD1-N 3.32Å; D635-R638 WeakPolarHBondContact OD2-CD 3.37Å; D635-R638 VanDerWaalsContact OD2-CG 3.25Å; D635-R638 WeakPolarHBondContact OD2-CG 3.42Å; D635-R638 IonicContact OD2-CZ 3.66Å; D635-R638 IonicContact OD2-NE 2.72Å; D635-R638 PolarHBondContact OD2-NE 2.96Å; D635-F639 WeakPolarHBondContact O-CB 3.29Å; D635-F639 PolarHBondContact O-N 3Å
636	E	91.1	Very high	92.6	Very high	44 Å²	44	46.5 Å²	46.5	21%	0.206	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-21.3	179.3	-71	-163.2	175.1	0	0	114.5	N556 K557 H559 P617	N556-E636 PolarHBondContact ND2-O 3.31Å; N556-E636 VanDerWaalsContact ND2-O 3.13Å; N556-E636 VanDerWaalsContact OD1-CB 3.27Å; N556-E636 WeakPolarHBondContact OD1-CB 3.47Å; N556-E636 VanDerWaalsContact OD1-CG 3.23Å; N556-E636 WeakPolarHBondContact OD1-CG 3.41Å; K557-E636 WeakPolarHBondContact CA-OE2 3.42Å; K557-E636 WeakPolarHBondContact CE-O 3.48Å; K557-E636 WeakPolarHBondContact CG-OE2 3.42Å; K557-E636 PolarHBondContact NZ-O 3.36Å; H559-E636 IonicContact CE1-OE2 2.79Å; H559-E636 PolarHBondContact CE1-OE2 3.32Å; H559-E636 VanDerWaalsContact CE1-OE2 3.31Å; H559-E636 IonicContact ND1-OE2 2.81Å; H559-E636 PolarHBondContact ND1-OE2 2.9Å; P617-E636 HydrophobicContact CB-CG 4.43Å; P617-E636 HydrophobicContact CG-CG 4.02Å; P617-E636 WeakPolarHBondContact CG-OE1 3.33Å
637	D	90.4	Very high	93.3	Very high	133 Å²	133	41.9 Å²	41.9	71%	0.711	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-31.8	-175.1	-80.9	-29.3	0	0	0	113.5	K557 D635	K557-D637 VanDerWaalsContact CE-OD1 3.3Å; K557-D637 WeakPolarHBondContact CE-OD1 3.17Å; K557-D637 IonicContact NZ-OD1 3.03Å; K557-D637 PolarHBondContact NZ-OD1 2.98Å; D635-D637 PolarHBondContact O-N 2.7Å; D635-D637 PolarHBondContact OD1-N 3.3Å; D635-D637 VanDerWaalsContact OD1-N 3.15Å
638	R	89.2	Confident	93.8	Very high	184 Å²	184	39.6 Å²	39.6	69%	0.694	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-33.9	167.6	-67.9	-177.6	-155.7	-148.4	-2.5	112.6	D635 P640	D635-R638 HydrophobicContact CB-CB 4.15Å; D635-R638 HydrophobicContact CB-CG 4.42Å; D635-R638 PolarHBondContact O-N 3.19Å; D635-R638 PolarHBondContact OD1-N 3.32Å; D635-R638 WeakPolarHBondContact OD2-CD 3.37Å; D635-R638 VanDerWaalsContact OD2-CG 3.25Å; D635-R638 WeakPolarHBondContact OD2-CG 3.42Å; D635-R638 IonicContact OD2-CZ 3.66Å; D635-R638 IonicContact OD2-NE 2.72Å; D635-R638 PolarHBondContact OD2-NE 2.96Å; R638-P640 WeakPolarHBondContact O-CD 3.23Å
639	F	92.6	Very high	93.8	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.039	20%	0.203	C	C	.	.	S	Bend	trans	-67.1	121.8	-172.8	-163	-83.9	0	0	0	112.2	E591 V619 H631 I633 D635 A641 F643	E591-F639 HydrophobicContact CG-CD2 4.11Å; V619-F639 HydrophobicContact CG2-CE1 3.48Å; V619-F639 VanDerWaalsContact CG2-CE1 3.48Å; V619-F639 HydrophobicContact CG2-CE2 4.4Å; V619-F639 HydrophobicContact CG2-CZ 3.42Å; V619-F639 VanDerWaalsContact CG2-CZ 3.42Å; H631-F639 AromaticContact CD2-CE2 3.67Å; H631-F639 AromaticContact NE2-CE2 3.68Å; I633-F639 HydrophobicContact CD1-CD1 3.92Å; I633-F639 HydrophobicContact CD1-CE1 4.13Å; I633-F639 HydrophobicContact CD1-CG 4.22Å; I633-F639 HydrophobicContact CG1-CD1 4.25Å; I633-F639 HydrophobicContact CG1-CD2 4.13Å; I633-F639 HydrophobicContact CG1-CE1 4.39Å; I633-F639 HydrophobicContact CG1-CE2 4.28Å; I633-F639 HydrophobicContact CG1-CG 4.12Å; I633-F639 HydrophobicContact CG1-CZ 4.43Å; I633-F639 HydrophobicContact CG2-CB 3.57Å; I633-F639 HydrophobicContact CG2-CD1 4.44Å; I633-F639 HydrophobicContact CG2-CD2 3.95Å; I633-F639 HydrophobicContact CG2-CG 3.72Å; D635-F639 WeakPolarHBondContact O-CB 3.29Å; D635-F639 PolarHBondContact O-N 3Å; F639-A641 PolarHBondContact O-N 2.89Å; F639-F643 HydrophobicContact CE1-CB 3.62Å; F639-F643 HydrophobicContact CE1-CD1 4.12Å; F639-F643 HydrophobicContact CE1-CD2 4.48Å; F639-F643 AromaticContact CE1-CG 3.85Å; F639-F643 HydrophobicContact CE1-CG 3.85Å; F639-F643 HydrophobicContact CZ-CB 3.91Å; F639-F643 AromaticContact CZ-CD1 3.64Å; F639-F643 HydrophobicContact CZ-CD1 3.64Å; F639-F643 AromaticContact CZ-CD2 3.98Å; F639-F643 HydrophobicContact CZ-CD2 3.98Å; F639-F643 HydrophobicContact CZ-CE1 4.06Å; F639-F643 HydrophobicContact CZ-CE2 4.38Å; F639-F643 AromaticContact CZ-CG 3.58Å; F639-F643 HydrophobicContact CZ-CG 3.58Å; F639-F643 HydrophobicContact CZ-CZ 4.39Å
640	P	92.7	Very high	93.7	Very high	44 Å²	44	40.7 Å²	40.7	29%	0.286	22%	0.222	S	C	.	.			trans	-70.1	123.7	-173.8	23.9	-29.5	0	0	0	111.9	R638 N642 F643	R638-P640 WeakPolarHBondContact O-CD 3.23Å; P640-N642 PolarHBondContact O-N 3.39Å; P640-F643 HydrophobicContact CG-CB 4.07Å; P640-F643 HydrophobicContact CG-CD2 4.12Å; P640-F643 VanDerWaalsContact O-CB 3.29Å; P640-F643 WeakPolarHBondContact O-CB 3.46Å; P640-F643 PolarHBondContact O-N 2.96Å
641	A	91.5	Very high	93.6	Very high	83 Å²	83	41.2 Å²	41.2	69%	0.686	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	-179.3	0	0	0	0	0	114.1	F639	F639-A641 PolarHBondContact O-N 2.89Å
642	N	92.9	Very high	93.6	Very high	40 Å²	40	42.1 Å²	42.1	21%	0.214	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	18.4	177	59.5	-14.9	0	0	0	113.2	P640 A644 Q645 E646 W659	P640-N642 PolarHBondContact O-N 3.39Å; N642-A644 PolarHBondContact O-N 3.1Å; N642-Q645 HydrophobicContact CB-CB 4.32Å; N642-Q645 CarbonylContact O-C 3.51Å; N642-Q645 WeakPolarHBondContact O-CA 3.24Å; N642-Q645 WeakPolarHBondContact O-CB 3.1Å; N642-Q645 PolarHBondContact O-N 2.95Å; N642-E646 PolarHBondContact O-N 3.1Å; N642-W659 PolarHBondContact ND2-O 3.42Å
643	F	95.5	Very high	93.5	Very high	14 Å²	14	50.2 Å²	50.2	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-40.7	-59.7	-179.4	179	-113.7	0	0	0	114.6	I554 A586 I587 V619 F639 P640 Q645 E646 I647	I554-F643 HydrophobicContact CD1-CB 4.18Å; A586-F643 HydrophobicContact CB-CE2 4.19Å; A586-F643 HydrophobicContact CB-CZ 4.05Å; A586-F643 WeakPolarHBondContact O-CZ 3.43Å; I587-F643 HydrophobicContact CG1-CE1 3.85Å; I587-F643 HydrophobicContact CG1-CZ 3.86Å; V619-F643 HydrophobicContact CG1-CD1 4.27Å; V619-F643 HydrophobicContact CG1-CE1 4.49Å; V619-F643 HydrophobicContact CG2-CD1 4.41Å; F639-F643 HydrophobicContact CE1-CB 3.62Å; F639-F643 HydrophobicContact CE1-CD1 4.12Å; F639-F643 HydrophobicContact CE1-CD2 4.48Å; F639-F643 AromaticContact CE1-CG 3.85Å; F639-F643 HydrophobicContact CE1-CG 3.85Å; F639-F643 HydrophobicContact CZ-CB 3.91Å; F639-F643 AromaticContact CZ-CD1 3.64Å; F639-F643 HydrophobicContact CZ-CD1 3.64Å; F639-F643 AromaticContact CZ-CD2 3.98Å; F639-F643 HydrophobicContact CZ-CD2 3.98Å; F639-F643 HydrophobicContact CZ-CE1 4.06Å; F639-F643 HydrophobicContact CZ-CE2 4.38Å; F639-F643 AromaticContact CZ-CG 3.58Å; F639-F643 HydrophobicContact CZ-CG 3.58Å; F639-F643 HydrophobicContact CZ-CZ 4.39Å; P640-F643 HydrophobicContact CG-CB 4.07Å; P640-F643 HydrophobicContact CG-CD2 4.12Å; P640-F643 VanDerWaalsContact O-CB 3.29Å; P640-F643 WeakPolarHBondContact O-CB 3.46Å; P640-F643 PolarHBondContact O-N 2.96Å; F643-Q645 PolarHBondContact O-N 3.45Å; F643-E646 WeakPolarHBondContact O-CB 3.28Å; F643-E646 PolarHBondContact O-N 3.2Å; F643-E646 VanDerWaalsContact O-N 3.16Å; F643-I647 HydrophobicContact CD1-CD1 4.02Å; F643-I647 HydrophobicContact CD2-CD1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 3.65Å; F643-I647 HydrophobicContact CE2-CD1 3.89Å; F643-I647 HydrophobicContact CG-CD1 4.32Å; F643-I647 HydrophobicContact CZ-CD1 3.6Å; F643-I647 WeakPolarHBondContact O-CG1 3.42Å; F643-I647 PolarHBondContact O-N 2.87Å; F643-I647 VanDerWaalsContact O-N 3.15Å
644	A	95.4	Very high	93.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-26.6	-179.1	0	0	0	0	0	113.4	Y552 I554 F583 N642 L648	Y552-A644 HydrophobicContact CD1-CB 3.88Å; Y552-A644 HydrophobicContact CD2-CB 3.54Å; Y552-A644 HydrophobicContact CE1-CB 4.06Å; Y552-A644 HydrophobicContact CE2-CB 3.75Å; Y552-A644 HydrophobicContact CG-CB 3.62Å; I554-A644 HydrophobicContact CD1-CB 4.24Å; F583-A644 HydrophobicContact CE1-CB 3.93Å; F583-A644 HydrophobicContact CZ-CB 4.21Å; N642-A644 PolarHBondContact O-N 3.1Å; A644-L648 WeakPolarHBondContact O-CB 3.41Å; A644-L648 WeakPolarHBondContact O-CD1 3.35Å; A644-L648 VanDerWaalsContact O-CG 3.27Å; A644-L648 WeakPolarHBondContact O-CG 3.32Å; A644-L648 PolarHBondContact O-N 3.23Å; A644-L648 VanDerWaalsContact O-N 3.15Å
645	Q	94.7	Very high	93.4	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-76.2	-31.7	175.9	-62.8	-174.5	-5.9	0	0	112.3	Y501 L504 Y552 N642 F643 G649 W659	Y501-Q645 PolarHBondContact OH-NE2 3.29Å; L504-Q645 HydrophobicContact CD1-CB 3.84Å; L504-Q645 HydrophobicContact CD1-CG 3.95Å; Y552-Q645 WeakPolarHBondContact OH-CG 3.29Å; Y552-Q645 PolarHBondContact OH-NE2 2.98Å; N642-Q645 HydrophobicContact CB-CB 4.32Å; N642-Q645 CarbonylContact O-C 3.51Å; N642-Q645 WeakPolarHBondContact O-CA 3.24Å; N642-Q645 WeakPolarHBondContact O-CB 3.1Å; N642-Q645 PolarHBondContact O-N 2.95Å; F643-Q645 PolarHBondContact O-N 3.45Å; Q645-G649 WeakPolarHBondContact O-CA 3.2Å; Q645-G649 PolarHBondContact O-N 3.48Å; Q645-W659 HydrophobicContact CB-CB 3.7Å; Q645-W659 HydrophobicContact CB-CG 4.4Å
646	E	95.5	Very high	93.4	Very high	62 Å²	62	54 Å²	54	29%	0.29	29%	0.292	S	S	.	.	H	α-helix	trans	-69.2	-43.9	174.3	-177.7	133.6	-105.7	0	0	111.3	N642 F643 G649 G650 W659 R660	N642-E646 PolarHBondContact O-N 3.1Å; F643-E646 WeakPolarHBondContact O-CB 3.28Å; F643-E646 PolarHBondContact O-N 3.2Å; F643-E646 VanDerWaalsContact O-N 3.16Å; E646-G649 PolarHBondContact O-N 3.13Å; E646-G650 PolarHBondContact O-N 2.7Å; E646-W659 PolarHBondContact OE1-NE1 2.76Å; E646-R660 IonicContact OE1-CZ 2.7Å; E646-R660 IonicContact OE1-NE 3.25Å; E646-R660 PolarHBondContact OE1-NE 2.6Å; E646-R660 IonicContact OE1-NH2 3.35Å; E646-R660 PolarHBondContact OE1-NH2 2.96Å; E646-R660 IonicContact OE2-NH2 3.51Å; E646-R660 PolarHBondContact OE2-NH2 3.32Å
647	I	96.2	Very high	93.4	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-52.9	175.3	-61.5	163	0	0	0	110.6	F583 A586 F643 G649 G650 M651	F583-I647 HydrophobicContact CD1-CD1 3.56Å; F583-I647 HydrophobicContact CD1-CG2 4.25Å; F583-I647 HydrophobicContact CD2-CG2 3.91Å; F583-I647 HydrophobicContact CE1-CB 4.21Å; F583-I647 HydrophobicContact CE1-CD1 3.59Å; F583-I647 HydrophobicContact CE1-CG2 4.2Å; F583-I647 HydrophobicContact CE2-CB 4.48Å; F583-I647 HydrophobicContact CE2-CG2 3.84Å; F583-I647 HydrophobicContact CG-CD1 4.34Å; F583-I647 HydrophobicContact CG-CG2 4.14Å; F583-I647 HydrophobicContact CZ-CB 4.16Å; F583-I647 HydrophobicContact CZ-CD1 4.39Å; F583-I647 HydrophobicContact CZ-CG2 4.01Å; A586-I647 HydrophobicContact CB-CD1 3.43Å; A586-I647 VanDerWaalsContact CB-CD1 3.43Å; A586-I647 HydrophobicContact CB-CG1 3.69Å; F643-I647 HydrophobicContact CD1-CD1 4.02Å; F643-I647 HydrophobicContact CD2-CD1 4.26Å; F643-I647 HydrophobicContact CE1-CD1 3.65Å; F643-I647 HydrophobicContact CE2-CD1 3.89Å; F643-I647 HydrophobicContact CG-CD1 4.32Å; F643-I647 HydrophobicContact CZ-CD1 3.6Å; F643-I647 WeakPolarHBondContact O-CG1 3.42Å; F643-I647 PolarHBondContact O-N 2.87Å; F643-I647 VanDerWaalsContact O-N 3.15Å; I647-G649 VanDerWaalsContact C-N 3.35Å; I647-G649 PolarHBondContact O-N 3.06Å; I647-G650 PolarHBondContact O-N 3.36Å; I647-M651 HydrophobicContact CG2-SD 4.33Å; I647-M651 WeakPolarHBondContact O-CG 3.26Å; I647-M651 PolarHBondContact O-N 3.24Å
648	L	95.6	Very high	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-38.8	179.5	-70.3	169.2	0	0	0	112	L504 V550 Y552 I569 I571 F583 A644 M651 L652	L504-L648 HydrophobicContact CD1-CB 4.44Å; V550-L648 HydrophobicContact CB-CD1 4.39Å; V550-L648 HydrophobicContact CB-CD2 4.22Å; V550-L648 HydrophobicContact CG1-CD1 4.39Å; V550-L648 HydrophobicContact CG1-CD2 4.47Å; V550-L648 HydrophobicContact CG2-CD2 3.98Å; Y552-L648 HydrophobicContact CD1-CD1 4.25Å; Y552-L648 HydrophobicContact CE1-CD1 3.95Å; I569-L648 HydrophobicContact CB-CD1 4.14Å; I569-L648 HydrophobicContact CD1-CD1 3.87Å; I569-L648 HydrophobicContact CG1-CD1 4.34Å; I569-L648 HydrophobicContact CG2-CD1 4.36Å; I571-L648 HydrophobicContact CG2-CD2 4.18Å; F583-L648 HydrophobicContact CE2-CD2 3.86Å; F583-L648 HydrophobicContact CE2-CG 4Å; F583-L648 HydrophobicContact CZ-CD1 4.25Å; F583-L648 HydrophobicContact CZ-CD2 4.25Å; F583-L648 HydrophobicContact CZ-CG 3.89Å; A644-L648 WeakPolarHBondContact O-CB 3.41Å; A644-L648 WeakPolarHBondContact O-CD1 3.35Å; A644-L648 VanDerWaalsContact O-CG 3.27Å; A644-L648 WeakPolarHBondContact O-CG 3.32Å; A644-L648 PolarHBondContact O-N 3.23Å; A644-L648 VanDerWaalsContact O-N 3.15Å; L648-M651 HydrophobicContact CD2-SD 4.42Å; L648-M651 PolarHBondContact O-N 2.93Å; L648-L652 VanDerWaalsContact O-CB 3.31Å; L648-L652 WeakPolarHBondContact O-CB 3.32Å; L648-L652 WeakPolarHBondContact O-CD1 3.35Å; L648-L652 VanDerWaalsContact O-CG 3.3Å; L648-L652 WeakPolarHBondContact O-CG 3.24Å; L648-L652 PolarHBondContact O-N 2.95Å
649	G	94.7	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-41.2	175.6	0	0	0	0	0	112.9	Q645 E646 I647 E653 L654	Q645-G649 WeakPolarHBondContact O-CA 3.2Å; Q645-G649 PolarHBondContact O-N 3.48Å; E646-G649 PolarHBondContact O-N 3.13Å; I647-G649 VanDerWaalsContact C-N 3.35Å; I647-G649 PolarHBondContact O-N 3.06Å; G649-E653 PolarHBondContact O-N 2.83Å; G649-L654 PolarHBondContact O-N 3.38Å
650	G	94.7	Very high	93.3	Very high	49 Å²	49	50.6 Å²	50.6	51%	0.505	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-46.5	173.5	0	0	0	0	0	112.9	E646 I647 L652 E653	E646-G650 PolarHBondContact O-N 2.7Å; I647-G650 PolarHBondContact O-N 3.36Å; G650-L652 VanDerWaalsContact C-N 3.29Å; G650-L652 PolarHBondContact O-N 3.48Å; G650-E653 PolarHBondContact O-N 2.81Å; G650-E653 VanDerWaalsContact O-N 3.16Å
651	M	94.2	Very high	93.2	Very high	11 Å²	11	55.8 Å²	55.8	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-38.2	175.8	-75.9	179.9	62.7	0	0	113.6	Q575 A579 Y582 I647 L648 E653	Q575-M651 HydrophobicContact CB-CE 4.25Å; Q575-M651 PolarHBondContact NE2-O 2.88Å; Q575-M651 WeakPolarHBondContact O-CE 3.33Å; Q575-M651 PolarHBondContact OE1-O 2.98Å; A579-M651 VanDerWaalsContact CA-CE 3.49Å; A579-M651 HydrophobicContact CB-CE 3.72Å; A579-M651 HydrophobicContact CB-SD 4.28Å; Y582-M651 HydrophobicContact CD1-CG 4Å; Y582-M651 HydrophobicContact CD2-CE 3.91Å; Y582-M651 HydrophobicContact CD2-CG 3.48Å; Y582-M651 VanDerWaalsContact CD2-CG 3.48Å; Y582-M651 HydrophobicContact CD2-SD 3.69Å; Y582-M651 HydrophobicContact CE1-CG 4.34Å; Y582-M651 HydrophobicContact CE2-CE 4.44Å; Y582-M651 HydrophobicContact CE2-CG 3.86Å; Y582-M651 HydrophobicContact CG-CG 3.55Å; Y582-M651 HydrophobicContact CG-SD 3.85Å; I647-M651 HydrophobicContact CG2-SD 4.33Å; I647-M651 WeakPolarHBondContact O-CG 3.26Å; I647-M651 PolarHBondContact O-N 3.24Å; L648-M651 HydrophobicContact CD2-SD 4.42Å; L648-M651 PolarHBondContact O-N 2.93Å; M651-E653 VanDerWaalsContact C-N 3.29Å
652	L	93.6	Very high	93	Very high	21 Å²	21	54 Å²	54	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.5	-178.7	-68.8	161.5	0	0	0	113	Q505 I571 P572 L648 G650 L654	Q505-L652 HydrophobicContact CG-CD1 3.57Å; Q505-L652 HydrophobicContact CG-CD2 4.22Å; I571-L652 HydrophobicContact CG2-CD1 4.23Å; I571-L652 HydrophobicContact CG2-CD2 4.37Å; P572-L652 HydrophobicContact CG-CD2 4.45Å; L648-L652 VanDerWaalsContact O-CB 3.31Å; L648-L652 WeakPolarHBondContact O-CB 3.32Å; L648-L652 WeakPolarHBondContact O-CD1 3.35Å; L648-L652 VanDerWaalsContact O-CG 3.3Å; L648-L652 WeakPolarHBondContact O-CG 3.24Å; L648-L652 PolarHBondContact O-N 2.95Å; G650-L652 VanDerWaalsContact C-N 3.29Å; G650-L652 PolarHBondContact O-N 3.48Å; L652-L654 HydrophobicContact CB-CD1 3.82Å; L652-L654 HydrophobicContact CB-CG 3.69Å; L652-L654 HydrophobicContact CD1-CD1 4.04Å; L652-L654 PolarHBondContact O-N 3.5Å; L652-L654 VanDerWaalsContact O-N 3.14Å
653	E	93.3	Very high	92.9	Very high	182 Å²	182	61.1 Å²	61.1	85%	0.85	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	32.3	-177.4	-59	-176.7	172.1	0	0	113.8	G649 G650 M651	G649-E653 PolarHBondContact O-N 2.83Å; G650-E653 PolarHBondContact O-N 2.81Å; G650-E653 VanDerWaalsContact O-N 3.16Å; M651-E653 VanDerWaalsContact C-N 3.29Å
654	L	93.2	Very high	92.6	Very high	51 Å²	51	68 Å²	68	27%	0.267	34%	0.335	S	S	.	.			trans	-80.3	152.6	-177	-63.9	175.5	0	0	0	111.6	L504 G649 L652 W659	L504-L654 HydrophobicContact CB-CD1 4.16Å; L504-L654 HydrophobicContact CD2-CD1 3.7Å; L504-L654 VanDerWaalsContact O-CD1 3.25Å; L504-L654 WeakPolarHBondContact O-CD1 3.49Å; G649-L654 PolarHBondContact O-N 3.38Å; L652-L654 HydrophobicContact CB-CD1 3.82Å; L652-L654 HydrophobicContact CB-CG 3.69Å; L652-L654 HydrophobicContact CD1-CD1 4.04Å; L652-L654 PolarHBondContact O-N 3.5Å; L652-L654 VanDerWaalsContact O-N 3.14Å; L654-W659 HydrophobicContact CB-CZ3 3.95Å; L654-W659 VanDerWaalsContact O-CH2 3.31Å; L654-W659 WeakPolarHBondContact O-CH2 3.43Å; L654-W659 VanDerWaalsContact O-CZ3 3.29Å; L654-W659 WeakPolarHBondContact O-CZ3 3.4Å
655	N	92.3	Very high	92.3	Very high	103 Å²	103	69.8 Å²	69.8	55%	0.551	34%	0.344	S	S	*	.			trans	-66.2	131.2	177.6	-169.8	-77.8	0	0	0	111.2	N657 A658 W659	N655-N657 PolarHBondContact O-N 3.21Å; N655-N657 WeakPolarHBondContact OD1-CB 3.48Å; N655-N657 PolarHBondContact OD1-N 2.87Å; N655-N657 VanDerWaalsContact OD1-N 3.14Å; N655-N657 PolarHBondContact OD1-ND2 3.25Å; N655-A658 WeakPolarHBondContact O-CB 3.49Å; N655-A658 PolarHBondContact O-N 3.17Å; N655-W659 WeakPolarHBondContact O-CZ3 3.26Å
656	P	92	Very high	92	Very high	63 Å²	63	73.4 Å²	73.4	41%	0.409	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.9	-177.2	-30	36	0	0	0	116.3	A658 W659 R660	P656-A658 PolarHBondContact O-N 3.35Å; P656-W659 VanDerWaalsContact CA-CH2 3.49Å; P656-W659 HydrophobicContact CB-CH2 4.12Å; P656-W659 HydrophobicContact CB-CZ2 3.9Å; P656-W659 HydrophobicContact CG-CH2 4.02Å; P656-W659 HydrophobicContact CG-CZ2 4.07Å; P656-R660 VanDerWaalsContact O-CB 3.25Å; P656-R660 WeakPolarHBondContact O-CB 3.13Å; P656-R660 WeakPolarHBondContact O-CG 3.34Å; P656-R660 PolarHBondContact O-N 3.5Å
657	N	91.5	Very high	91.7	Very high	89 Å²	89	75.1 Å²	75.1	48%	0.476	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-24.8	173.4	-70.5	-68.4	0	0	0	113.1	N655 W659 K661	N655-N657 PolarHBondContact O-N 3.21Å; N655-N657 WeakPolarHBondContact OD1-CB 3.48Å; N655-N657 PolarHBondContact OD1-N 2.87Å; N655-N657 VanDerWaalsContact OD1-N 3.14Å; N655-N657 PolarHBondContact OD1-ND2 3.25Å; N657-W659 PolarHBondContact O-N 2.99Å; N657-K661 CarbonylContact O-C 3.51Å; N657-K661 WeakPolarHBondContact O-CA 3.29Å; N657-K661 PolarHBondContact O-N 2.99Å; N657-K661 VanDerWaalsContact O-O 3.11Å
658	A	89.4	Confident	91.4	Very high	39 Å²	39	75.4 Å²	75.4	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-41.8	-178.9	0	0	0	0	0	112.9	L504 N655 P656 P662	L504-A658 HydrophobicContact CD2-CB 4.41Å; N655-A658 WeakPolarHBondContact O-CB 3.49Å; N655-A658 PolarHBondContact O-N 3.17Å; P656-A658 PolarHBondContact O-N 3.35Å; A658-P662 WeakPolarHBondContact O-CA 3.42Å
659	W	89.2	Confident	91.1	Very high	18 Å²	18	76.7 Å²	76.7	7%	0.068	40%	0.399	C	S	.	.	H	α-helix	trans	-101.7	-21.1	177.7	62.5	101.3	0	0	0	114.5	L504 N642 Q645 E646 L654 N655 P656 N657	L504-W659 HydrophobicContact CD2-CE3 4.08Å; N642-W659 PolarHBondContact ND2-O 3.42Å; Q645-W659 HydrophobicContact CB-CB 3.7Å; Q645-W659 HydrophobicContact CB-CG 4.4Å; E646-W659 PolarHBondContact OE1-NE1 2.76Å; L654-W659 HydrophobicContact CB-CZ3 3.95Å; L654-W659 VanDerWaalsContact O-CH2 3.31Å; L654-W659 WeakPolarHBondContact O-CH2 3.43Å; L654-W659 VanDerWaalsContact O-CZ3 3.29Å; L654-W659 WeakPolarHBondContact O-CZ3 3.4Å; N655-W659 WeakPolarHBondContact O-CZ3 3.26Å; P656-W659 VanDerWaalsContact CA-CH2 3.49Å; P656-W659 HydrophobicContact CB-CH2 4.12Å; P656-W659 HydrophobicContact CB-CZ2 3.9Å; P656-W659 HydrophobicContact CG-CH2 4.02Å; P656-W659 HydrophobicContact CG-CZ2 4.07Å; N657-W659 PolarHBondContact O-N 2.99Å
660	R	90.9	Very high	90.9	Very high	151 Å²	151	78 Å²	78	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-86.7	-27.9	177.5	-63.9	177.9	172.2	-113.4	-3.5	113.2	E646 P656	E646-R660 IonicContact OE1-CZ 2.7Å; E646-R660 IonicContact OE1-NE 3.25Å; E646-R660 PolarHBondContact OE1-NE 2.6Å; E646-R660 IonicContact OE1-NH2 3.35Å; E646-R660 PolarHBondContact OE1-NH2 2.96Å; E646-R660 IonicContact OE2-NH2 3.51Å; E646-R660 PolarHBondContact OE2-NH2 3.32Å; P656-R660 VanDerWaalsContact O-CB 3.25Å; P656-R660 WeakPolarHBondContact O-CB 3.13Å; P656-R660 WeakPolarHBondContact O-CG 3.34Å; P656-R660 PolarHBondContact O-N 3.5Å
661	K	89.9	Confident	90.8	Very high	154 Å²	154	77.7 Å²	77.7	67%	0.67	40%	0.397	S	S	*	.	S	Bend	trans	-142.9	63.8	178.7	-67.5	-175.7	-179.6	174.2	0	110.7	N657 R663	N657-K661 CarbonylContact O-C 3.51Å; N657-K661 WeakPolarHBondContact O-CA 3.29Å; N657-K661 PolarHBondContact O-N 2.99Å; N657-K661 VanDerWaalsContact O-O 3.11Å; K661-R663 PolarHBondContact O-N 3.34Å
662	P	88.4	Confident	90.7	Very high	46 Å²	46	77.2 Å²	77.2	30%	0.299	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-56	123.7	-175.6	22.9	-34	0	0	0	111.4	Y501 A658	Y501-P662 HydrophobicContact CD2-CB 3.91Å; Y501-P662 HydrophobicContact CG-CB 3.86Å; A658-P662 WeakPolarHBondContact O-CA 3.42Å
663	R	90.5	Very high	90.7	Very high	188 Å²	188	78.6 Å²	78.6	71%	0.709	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-78.4	145.5	179.3	-66.7	-176	177.8	-170.1	-0.1	110.2	Y501 M502 K661	Y501-R663 CarbonylContact C-O 3.58Å; Y501-R663 VanDerWaalsContact CA-O 3.23Å; Y501-R663 WeakPolarHBondContact CA-O 3.32Å; Y501-R663 WeakPolarHBondContact CB-O 3.44Å; M502-R663 HydrophobicContact CG-CB 4.37Å; M502-R663 PolarHBondContact N-O 2.98Å; M502-R663 HydrophobicContact SD-CB 3.94Å; K661-R663 PolarHBondContact O-N 3.34Å
664	K	90.4	Very high	90.6	Very high	158 Å²	158	72.6 Å²	72.6	69%	0.687	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-64.1	138.7	173.5	-173.5	171.2	-178.9	173.4	0	110.4	W500	W500-K664 HydrophobicContact CE3-CG 4.49Å
665	E	87.9	Confident	90.7	Very high	38 Å²	38	70.8 Å²	70.8	18%	0.178	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.5	132.9	176.1	-172	58.6	-102.1	0	0	111.1	W500 P668 K671	W500-E665 PolarHBondContact O-N 3.48Å; W500-E665 VanDerWaalsContact O-N 3.12Å; E665-P668 HydrophobicContact CG-CB 4.45Å; E665-K671 HydrophobicContact CG-CD 3.98Å; E665-K671 WeakPolarHBondContact OE2-CD 3.5Å; E665-K671 WeakPolarHBondContact OE2-CE 3.3Å; E665-K671 IonicContact OE2-NZ 3.04Å; E665-K671 PolarHBondContact OE2-NZ 3.28Å
666	A	89	Confident	90.8	Very high	99 Å²	99	66.1 Å²	66.1	82%	0.818	34%	0.344	S	S	*	.	S	Bend	trans	-83.4	-33.8	-174.3	0	0	0	0	0	112.7
667	N	89	Confident	90.8	Very high	98 Å²	98	69.7 Å²	69.7	52%	0.524	36%	0.355	S	S	.	.			trans	-131.9	75.8	177.6	-174	-1.4	0	0	0	110.6	I669 G670 K671	N667-I669 VanDerWaalsContact C-N 3.34Å; N667-I669 PolarHBondContact O-N 3.3Å; N667-G670 PolarHBondContact OD1-N 3.26Å; N667-K671 PolarHBondContact O-N 2.93Å
668	P	89.3	Confident	90.8	Very high	26 Å²	26	68.8 Å²	68.8	17%	0.169	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-41	-178.6	24	-33.2	0	0	0	112.1	L486 E665 G670 K671 V672	L486-P668 HydrophobicContact CD2-CB 3.67Å; E665-P668 HydrophobicContact CG-CB 4.45Å; P668-G670 PolarHBondContact O-N 3.16Å; P668-K671 WeakPolarHBondContact O-CB 3.41Å; P668-K671 PolarHBondContact O-N 2.94Å; P668-V672 VanDerWaalsContact O-CG2 3.3Å; P668-V672 WeakPolarHBondContact O-CG2 3.49Å; P668-V672 PolarHBondContact O-N 2.68Å
669	I	90.2	Very high	91.1	Very high	27 Å²	27	66.9 Å²	66.9	14%	0.138	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-45.6	-177.3	-60.7	174.3	0	0	0	111.2	W52 N667 K671 V672 K673	W52-I669 HydrophobicContact CB-CG2 3.61Å; W52-I669 HydrophobicContact CD2-CG2 4.29Å; W52-I669 HydrophobicContact CG-CG2 3.78Å; N667-I669 VanDerWaalsContact C-N 3.34Å; N667-I669 PolarHBondContact O-N 3.3Å; I669-K671 VanDerWaalsContact C-N 3.32Å; I669-K671 PolarHBondContact O-N 3.38Å; I669-V672 PolarHBondContact O-N 3.12Å; I669-K673 HydrophobicContact CG2-CD 4.45Å; I669-K673 WeakPolarHBondContact O-CG 3.46Å; I669-K673 PolarHBondContact O-N 2.91Å
670	G	91.2	Very high	91.2	Very high	27 Å²	27	72.5 Å²	72.5	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177.4	0	0	0	0	0	112.9	N667 P668 S674	N667-G670 PolarHBondContact OD1-N 3.26Å; P668-G670 PolarHBondContact O-N 3.16Å; G670-S674 PolarHBondContact O-N 3.17Å; G670-S674 VanDerWaalsContact O-N 3.08Å; G670-S674 PolarHBondContact O-OG 3.22Å
671	K	91.1	Very high	91.3	Very high	42 Å²	42	74 Å²	74	18%	0.183	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-41.6	175.3	-172	-173.9	-177.2	176.4	0	112.3	L498 E665 N667 P668 I669 S674 F675	L498-K671 HydrophobicContact CD1-CB 4.44Å; L498-K671 HydrophobicContact CD1-CD 4.09Å; L498-K671 HydrophobicContact CD1-CG 3.79Å; E665-K671 HydrophobicContact CG-CD 3.98Å; E665-K671 WeakPolarHBondContact OE2-CD 3.5Å; E665-K671 WeakPolarHBondContact OE2-CE 3.3Å; E665-K671 IonicContact OE2-NZ 3.04Å; E665-K671 PolarHBondContact OE2-NZ 3.28Å; N667-K671 PolarHBondContact O-N 2.93Å; P668-K671 WeakPolarHBondContact O-CB 3.41Å; P668-K671 PolarHBondContact O-N 2.94Å; I669-K671 VanDerWaalsContact C-N 3.32Å; I669-K671 PolarHBondContact O-N 3.38Å; K671-S674 PolarHBondContact O-OG 2.7Å; K671-S674 VanDerWaalsContact O-OG 3.06Å; K671-F675 WeakPolarHBondContact O-CB 3.2Å; K671-F675 PolarHBondContact O-N 3.16Å
672	V	93.2	Very high	91.5	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177	172.4	0	0	0	0	111.3	W52 Q485 L486 V488 L498 P668 I669 F675 A676	W52-V672 HydrophobicContact CE3-CG1 3.96Å; W52-V672 HydrophobicContact CZ3-CG1 3.75Å; Q485-V672 WeakPolarHBondContact O-CG2 3.4Å; L486-V672 HydrophobicContact CD2-CG2 4.49Å; V488-V672 HydrophobicContact CG2-CG1 4.32Å; L498-V672 HydrophobicContact CB-CG2 4.44Å; L498-V672 HydrophobicContact CD1-CB 4.4Å; L498-V672 HydrophobicContact CD1-CG2 3.64Å; L498-V672 HydrophobicContact CG-CG2 4.05Å; P668-V672 VanDerWaalsContact O-CG2 3.3Å; P668-V672 WeakPolarHBondContact O-CG2 3.49Å; P668-V672 PolarHBondContact O-N 2.68Å; I669-V672 PolarHBondContact O-N 3.12Å; V672-F675 PolarHBondContact O-N 2.75Å; V672-A676 WeakPolarHBondContact O-CB 3.45Å; V672-A676 PolarHBondContact O-N 3.43Å
673	K	92.5	Very high	91.6	Very high	49 Å²	49	68.1 Å²	68.1	21%	0.213	34%	0.34	C	S	.	.	H	α-helix	trans	-57.2	-53.2	173.5	-75.2	178	174.5	-170.7	0	112.1	G48 W52 I669 F675 A676 E677	G48-K673 VanDerWaalsContact C-NZ 3.3Å; G48-K673 WeakPolarHBondContact O-CE 3.39Å; G48-K673 PolarHBondContact O-NZ 2.92Å; W52-K673 HydrophobicContact CB-CD 4.3Å; W52-K673 HydrophobicContact CB-CG 4.03Å; I669-K673 HydrophobicContact CG2-CD 4.45Å; I669-K673 WeakPolarHBondContact O-CG 3.46Å; I669-K673 PolarHBondContact O-N 2.91Å; K673-F675 VanDerWaalsContact C-N 3.25Å; K673-F675 PolarHBondContact O-N 2.98Å; K673-A676 PolarHBondContact O-N 3.16Å; K673-E677 WeakPolarHBondContact O-CG 3.29Å; K673-E677 PolarHBondContact O-N 3.3Å
674	S	92.6	Very high	91.6	Very high	57 Å²	57	61.2 Å²	61.2	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-31.5	-178.7	67.6	0	0	0	0	112.4	G670 K671 N678	G670-S674 PolarHBondContact O-N 3.17Å; G670-S674 VanDerWaalsContact O-N 3.08Å; G670-S674 PolarHBondContact O-OG 3.22Å; K671-S674 PolarHBondContact O-OG 2.7Å; K671-S674 VanDerWaalsContact O-OG 3.06Å; S674-N678 WeakPolarHBondContact O-CB 3.43Å; S674-N678 PolarHBondContact O-ND2 3.32Å
675	F	94.7	Very high	91.5	Very high	13 Å²	13	55 Å²	55	6%	0.057	30%	0.296	C	S	.	.	H	α-helix	trans	-71.6	-41.4	170.5	-168.9	-79	0	0	0	112.2	V488 L496 L498 G507 C509 L538 M541 F542 K671 V672 K673 N678 W679	V488-F675 HydrophobicContact CB-CD1 4.36Å; V488-F675 HydrophobicContact CG1-CD1 3.62Å; V488-F675 HydrophobicContact CG1-CE1 3.9Å; V488-F675 HydrophobicContact CG2-CD1 3.87Å; V488-F675 HydrophobicContact CG2-CE1 4.35Å; L496-F675 HydrophobicContact CD2-CE1 3.96Å; L498-F675 HydrophobicContact CD1-CB 4.23Å; L498-F675 HydrophobicContact CD2-CD1 4.41Å; L498-F675 HydrophobicContact CD2-CD2 4.03Å; L498-F675 HydrophobicContact CD2-CE2 4.32Å; L498-F675 HydrophobicContact CD2-CG 4.07Å; G507-F675 WeakPolarHBondContact O-CE2 3.49Å; C509-F675 HydrophobicContact CB-CE2 4.23Å; C509-F675 HydrophobicContact CB-CZ 4.07Å; L538-F675 HydrophobicContact CD2-CZ 4.09Å; M541-F675 HydrophobicContact CE-CE2 4.09Å; M541-F675 HydrophobicContact CE-CZ 3.83Å; F542-F675 HydrophobicContact CZ-CE2 4.14Å; K671-F675 WeakPolarHBondContact O-CB 3.2Å; K671-F675 PolarHBondContact O-N 3.16Å; V672-F675 PolarHBondContact O-N 2.75Å; K673-F675 VanDerWaalsContact C-N 3.25Å; K673-F675 PolarHBondContact O-N 2.98Å; F675-N678 CarbonylContact O-C 3.5Å; F675-N678 VanDerWaalsContact O-CB 3.32Å; F675-N678 WeakPolarHBondContact O-CB 3.16Å; F675-N678 PolarHBondContact O-N 3.45Å; F675-W679 HydrophobicContact CD1-CB 4.17Å; F675-W679 HydrophobicContact CE1-CB 4.02Å; F675-W679 HydrophobicContact CE1-CG 4.33Å; F675-W679 VanDerWaalsContact O-CB 3.3Å; F675-W679 WeakPolarHBondContact O-CB 3.46Å; F675-W679 PolarHBondContact O-N 3.43Å
676	A	93.6	Very high	90.7	Very high	5 Å²	5	57.6 Å²	57.6	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-67.9	-41.8	-177.1	0	0	0	0	0	113.2	L54 V488 V672 K673 N678 W679 K680	L54-A676 HydrophobicContact CD1-CB 4.18Å; L54-A676 HydrophobicContact CD2-CB 4.04Å; L54-A676 HydrophobicContact CG-CB 3.93Å; V488-A676 HydrophobicContact CG1-CB 4.49Å; V672-A676 WeakPolarHBondContact O-CB 3.45Å; V672-A676 PolarHBondContact O-N 3.43Å; K673-A676 PolarHBondContact O-N 3.16Å; A676-N678 PolarHBondContact O-N 3.09Å; A676-W679 PolarHBondContact O-N 3.31Å; A676-K680 WeakPolarHBondContact O-CB 3.49Å; A676-K680 PolarHBondContact O-N 2.95Å
677	E	92.8	Very high	89.1	Confident	137 Å²	137	63.4 Å²	63.4	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-55.5	-43	171.8	-72.3	165.8	-169.5	0	0	111.5	K673	K673-E677 WeakPolarHBondContact O-CG 3.29Å; K673-E677 PolarHBondContact O-N 3.3Å
678	N	91.8	Very high	89.1	Confident	70 Å²	70	61.7 Å²	61.7	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-70.6	-38.9	178.4	-93.2	-51.9	0	0	0	113.1	M541 R545 S674 F675 A676	M541-N678 HydrophobicContact SD-CB 4.46Å; R545-N678 PolarHBondContact NE-OD1 2.81Å; R545-N678 PolarHBondContact NH2-OD1 3.18Å; S674-N678 WeakPolarHBondContact O-CB 3.43Å; S674-N678 PolarHBondContact O-ND2 3.32Å; F675-N678 CarbonylContact O-C 3.5Å; F675-N678 VanDerWaalsContact O-CB 3.32Å; F675-N678 WeakPolarHBondContact O-CB 3.16Å; F675-N678 PolarHBondContact O-N 3.45Å; A676-N678 PolarHBondContact O-N 3.09Å
679	W	94.9	Very high	89.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-73.5	-30.7	178.9	179.1	-112.5	0	0	0	113	V488 L496 F534 A537 L538 M541 F675 A676 K681 F682 D683	V488-W679 HydrophobicContact CG1-CB 4.35Å; V488-W679 HydrophobicContact CG1-CG 4.2Å; L496-W679 HydrophobicContact CD2-CD2 3.95Å; L496-W679 HydrophobicContact CD2-CE3 4.37Å; L496-W679 HydrophobicContact CD2-CG 4.41Å; L496-W679 HydrophobicContact CD2-CH2 4.36Å; L496-W679 HydrophobicContact CD2-CZ2 3.94Å; F534-W679 HydrophobicContact CD1-CH2 4.12Å; F534-W679 AromaticContact CD1-CZ2 3.82Å; F534-W679 HydrophobicContact CD1-CZ2 3.82Å; F534-W679 AromaticContact CE1-CZ2 3.95Å; F534-W679 HydrophobicContact CE1-CZ2 3.95Å; A537-W679 HydrophobicContact CB-CH2 3.56Å; A537-W679 HydrophobicContact CB-CZ3 4.06Å; L538-W679 HydrophobicContact CB-CZ3 4.41Å; L538-W679 HydrophobicContact CD2-CE3 3.91Å; L538-W679 HydrophobicContact CD2-CH2 4.11Å; L538-W679 HydrophobicContact CD2-CZ3 3.46Å; L538-W679 VanDerWaalsContact CD2-CZ3 3.46Å; L538-W679 HydrophobicContact CG-CH2 3.94Å; L538-W679 HydrophobicContact CG-CZ3 3.65Å; M541-W679 HydrophobicContact CE-CE3 4.35Å; M541-W679 HydrophobicContact SD-CB 4.41Å; M541-W679 HydrophobicContact SD-CE3 3.93Å; F675-W679 HydrophobicContact CD1-CB 4.17Å; F675-W679 HydrophobicContact CE1-CB 4.02Å; F675-W679 HydrophobicContact CE1-CG 4.33Å; F675-W679 VanDerWaalsContact O-CB 3.3Å; F675-W679 WeakPolarHBondContact O-CB 3.46Å; F675-W679 PolarHBondContact O-N 3.43Å; A676-W679 PolarHBondContact O-N 3.31Å; W679-K681 PolarHBondContact O-N 3.16Å; W679-F682 HydrophobicContact CE3-CB 4.37Å; W679-F682 HydrophobicContact CZ3-CB 4.36Å; W679-F682 CarbonylContact O-C 3.59Å; W679-F682 PolarHBondContact O-N 3.37Å; W679-D683 PolarHBondContact NE1-OD1 3.32Å; W679-D683 PolarHBondContact O-N 2.92Å; W679-D683 VanDerWaalsContact O-N 3.1Å
680	K	92.2	Very high	89	Confident	136 Å²	136	65.6 Å²	65.6	59%	0.591	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.7	-173.9	-172.9	178.5	178.8	-176.7	0	114.9	A676 F682	A676-K680 WeakPolarHBondContact O-CB 3.49Å; A676-K680 PolarHBondContact O-N 2.95Å; K680-F682 VanDerWaalsContact C-N 3.34Å
681	K	92.1	Very high	88.9	Confident	183 Å²	183	67.9 Å²	67.9	80%	0.796	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.5	178.2	-64.9	-177.6	-180	179.7	0	114.3	W679	W679-K681 PolarHBondContact O-N 3.16Å
682	F	93.7	Very high	88.7	Confident	62 Å²	62	69.5 Å²	69.5	27%	0.272	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	2.9	-171.7	-57.1	-85.1	0	0	0	112.8	A537 R540 M541 A544 W679 K680 C684	A537-F682 WeakPolarHBondContact CB-O 3.45Å; R540-F682 HydrophobicContact CB-CD1 4.09Å; R540-F682 HydrophobicContact CB-CE1 4.27Å; M541-F682 HydrophobicContact CB-CB 4.21Å; M541-F682 HydrophobicContact CB-CD1 4.31Å; M541-F682 HydrophobicContact CB-CD2 3.62Å; M541-F682 HydrophobicContact CB-CE2 4.01Å; M541-F682 HydrophobicContact CB-CG 3.79Å; M541-F682 HydrophobicContact CG-CD2 3.61Å; M541-F682 HydrophobicContact CG-CE2 3.85Å; M541-F682 HydrophobicContact CG-CG 4.29Å; A544-F682 HydrophobicContact CB-CZ 4Å; W679-F682 HydrophobicContact CE3-CB 4.37Å; W679-F682 HydrophobicContact CZ3-CB 4.36Å; W679-F682 CarbonylContact O-C 3.59Å; W679-F682 PolarHBondContact O-N 3.37Å; K680-F682 VanDerWaalsContact C-N 3.34Å; F682-C684 PolarHBondContact O-N 3.14Å
683	D	92	Very high	88.4	Confident	13 Å²	13	74 Å²	74	7%	0.07	37%	0.369	C	S	.	.			trans	-67.7	99.9	-172.8	-170.2	9.2	0	0	0	112.5	S489 W679 T685 Q686	S489-D683 PolarHBondContact OG-OD1 3.39Å; S489-D683 PolarHBondContact OG-OD2 3.22Å; W679-D683 PolarHBondContact NE1-OD1 3.32Å; W679-D683 PolarHBondContact O-N 2.92Å; W679-D683 VanDerWaalsContact O-N 3.1Å; D683-T685 PolarHBondContact O-N 3.05Å; D683-T685 PolarHBondContact OD1-N 3.37Å; D683-T685 PolarHBondContact OD1-OG1 3.01Å; D683-T685 PolarHBondContact OD2-OG1 3.49Å; D683-Q686 PolarHBondContact O-N 3.39Å; D683-Q686 PolarHBondContact OD2-NE2 3.4Å
684	C	89.6	Confident	88.2	Confident	44 Å²	44	75.8 Å²	75.8	30%	0.297	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-0.6	180	59.3	0	0	0	0	114.8	A537 F682	A537-C684 HydrophobicContact CB-CB 4.25Å; F682-C684 PolarHBondContact O-N 3.14Å
685	T	87.9	Confident	87.8	Confident	26 Å²	26	77.2 Å²	77.2	16%	0.16	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.3	177	74.4	0	0	0	0	114.1	S489 F534 D683	S489-T685 WeakPolarHBondContact OG-CG2 3.38Å; S489-T685 PolarHBondContact OG-OG1 3.17Å; F534-T685 HydrophobicContact CE1-CG2 3.85Å; F534-T685 HydrophobicContact CE2-CG2 4.22Å; F534-T685 HydrophobicContact CZ-CG2 3.36Å; D683-T685 PolarHBondContact O-N 3.05Å; D683-T685 PolarHBondContact OD1-N 3.37Å; D683-T685 PolarHBondContact OD1-OG1 3.01Å; D683-T685 PolarHBondContact OD2-OG1 3.49Å
686	Q	72.4	Confident	87.2	Confident	93 Å²	93	82.6 Å²	82.6	44%	0.435	41%	0.405	S	S	.	.			trans	-110.7	65.1	179.4	-64.4	-176.6	52.3	0	0	110.4	A56 D683	A56-Q686 HydrophobicContact CB-CG 3.99Å; D683-Q686 PolarHBondContact O-N 3.39Å; D683-Q686 PolarHBondContact OD2-NE2 3.4Å
687	N	54.2	Low	86.7	Confident	222 Å²	222	89.6 Å²	89.6	100%	1.187	44%	0.438	S	S	*	.			trans	-91	0	162.8	-70.9	-11.3	0	0	0	110.3

Retrieved 687 of 687 residues in 480 ms (Link to these results)

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