A0A3Q0KUD6_SCHMA Loading...

Phosphatidylinositol-glycan biosynthesis class S protein

AlphaFold DB , UniProt , Accession A0A3Q0KUD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 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	50.6	Low	47.9	Very low	208 Å²	208	128.3 Å²	128.3	100%	1.025	67%	0.666	S	S	*	*				0	-32.4	0	-147.9	147.6	175.5	0	0	113.2
2	T	46.1	Very low	48.1	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	64%	0.643	S	S	*	*	H	α-helix	trans	-69.9	-25.5	176.9	32	0	0	0	0	115.5
3	M	45.2	Very low	48.1	Very low	167 Å²	167	122.4 Å²	122.4	82%	0.823	64%	0.638	S	S	*	*	H	α-helix	trans	-78.7	-23.1	178.6	-137.2	-177.6	-173	0	0	114
4	M	49.6	Very low	48.3	Very low	161 Å²	161	118.5 Å²	118.5	79%	0.793	63%	0.626	S	S	*	*	H	α-helix	trans	-77.3	-35.2	174.8	-91.1	176.3	165.3	0	0	112.2	L6 N7 S8	M4-L6 PolarHBondContact O-N 2.88Å; M4-N7 PolarHBondContact O-N 3.38Å; M4-S8 PolarHBondContact O-N 3.17Å
5	M	48.9	Very low	48.7	Very low	132 Å²	132	120.7 Å²	120.7	65%	0.65	63%	0.629	S	S	*	*	H	α-helix	trans	-63.4	-39.6	176.4	-74	-88.5	-164.3	0	0	111.9	N7 S8 H9	M5-N7 PolarHBondContact O-N 3.03Å; M5-S8 PolarHBondContact O-N 2.96Å; M5-S8 PolarHBondContact O-OG 2.92Å; M5-H9 PolarHBondContact O-N 3.19Å
6	L	44	Very low	49	Very low	119 Å²	119	118.8 Å²	118.8	62%	0.623	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-32.7	-178.3	-132.2	92.2	0	0	0	113.6	M4 K10	M4-L6 PolarHBondContact O-N 2.88Å; L6-K10 PolarHBondContact O-N 3.5Å
7	N	48	Very low	49.6	Very low	109 Å²	109	119.4 Å²	119.4	58%	0.583	62%	0.62	S	S	*	*	H	α-helix	trans	-77.1	-32.6	177.2	-86.4	-17.8	0	0	0	112.5	M4 M5 H9 K10 S11	M4-N7 PolarHBondContact O-N 3.38Å; M5-N7 PolarHBondContact O-N 3.03Å; N7-H9 VanDerWaalsContact C-N 3.35Å; N7-K10 PolarHBondContact O-N 3.44Å; N7-S11 PolarHBondContact O-N 3.02Å
8	S	48.8	Very low	49.8	Very low	59 Å²	59	114.9 Å²	114.9	41%	0.413	60%	0.597	S	S	.	*	H	α-helix	trans	-64	-42	174.7	78.9	0	0	0	0	111.2	M4 M5 K10 S11 S12	M4-S8 PolarHBondContact O-N 3.17Å; M5-S8 PolarHBondContact O-N 2.96Å; M5-S8 PolarHBondContact O-OG 2.92Å; S8-K10 PolarHBondContact O-N 3.49Å; S8-S11 PolarHBondContact O-N 3.33Å; S8-S11 PolarHBondContact O-OG 3.21Å; S8-S12 PolarHBondContact O-N 3.07Å
9	H	47.7	Very low	50.4	Low	127 Å²	127	114.8 Å²	114.8	59%	0.588	60%	0.598	S	S	*	*	H	α-helix	trans	-64	-42.6	177.5	-112	-60.9	0	0	0	112.5	M5 N7 S11 S12 Q13	M5-H9 PolarHBondContact O-N 3.19Å; N7-H9 VanDerWaalsContact C-N 3.35Å; H9-S11 PolarHBondContact O-N 3.24Å; H9-S12 PolarHBondContact O-N 3.47Å; H9-S12 PolarHBondContact O-OG 3.04Å; H9-Q13 WeakPolarHBondContact O-CB 3.48Å; H9-Q13 PolarHBondContact O-N 3.13Å
10	K	48.6	Very low	51.1	Low	140 Å²	140	113.4 Å²	113.4	61%	0.609	60%	0.598	S	S	*	*	H	α-helix	trans	-64.1	-37.4	174.4	-87.4	-176.9	175	180	0	113.3	L6 N7 S8 S14	L6-K10 PolarHBondContact O-N 3.5Å; N7-K10 PolarHBondContact O-N 3.44Å; S8-K10 PolarHBondContact O-N 3.49Å; K10-S14 WeakPolarHBondContact O-CB 3.17Å; K10-S14 PolarHBondContact O-N 3.13Å; K10-S14 PolarHBondContact O-OG 3.37Å
11	S	49.9	Very low	51.7	Low	65 Å²	65	114.2 Å²	114.2	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-72.4	-32.2	178	75.8	0	0	0	0	113	N7 S8 H9 S14 K15	N7-S11 PolarHBondContact O-N 3.02Å; S8-S11 PolarHBondContact O-N 3.33Å; S8-S11 PolarHBondContact O-OG 3.21Å; H9-S11 PolarHBondContact O-N 3.24Å; S11-S14 PolarHBondContact O-OG 3.31Å; S11-K15 WeakPolarHBondContact O-CG 3.42Å; S11-K15 PolarHBondContact O-N 3.46Å; S11-K15 VanDerWaalsContact O-N 3.17Å
12	S	49.4	Very low	52.2	Low	57 Å²	57	108.8 Å²	108.8	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-71.5	-43.7	172.9	76.2	0	0	0	0	111.3	S8 H9 S14 K15 T16	S8-S12 PolarHBondContact O-N 3.07Å; H9-S12 PolarHBondContact O-N 3.47Å; H9-S12 PolarHBondContact O-OG 3.04Å; S12-S14 VanDerWaalsContact C-N 3.34Å; S12-S14 PolarHBondContact O-N 3.27Å; S12-K15 PolarHBondContact O-N 2.87Å; S12-T16 PolarHBondContact O-N 3.35Å; S12-T16 PolarHBondContact O-OG1 3.42Å
13	Q	49.1	Very low	53.2	Low	123 Å²	123	110.5 Å²	110.5	58%	0.575	57%	0.574	S	S	*	*	H	α-helix	trans	-62.8	-39.4	176	-84.5	-178.9	-21.5	0	0	112	H9 T16 F17	H9-Q13 WeakPolarHBondContact O-CB 3.48Å; H9-Q13 PolarHBondContact O-N 3.13Å; Q13-T16 VanDerWaalsContact CA-OG1 3.3Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.44Å; Q13-T16 PolarHBondContact O-OG1 2.96Å; Q13-F17 VanDerWaalsContact O-CB 3.24Å; Q13-F17 WeakPolarHBondContact O-CB 3.39Å; Q13-F17 PolarHBondContact O-N 2.85Å
14	S	51	Low	53.9	Low	68 Å²	68	106.6 Å²	106.6	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-68.3	-34.3	176.3	70.4	0	0	0	0	112.5	K10 S11 S12 L18	K10-S14 WeakPolarHBondContact O-CB 3.17Å; K10-S14 PolarHBondContact O-N 3.13Å; K10-S14 PolarHBondContact O-OG 3.37Å; S11-S14 PolarHBondContact O-OG 3.31Å; S12-S14 VanDerWaalsContact C-N 3.34Å; S12-S14 PolarHBondContact O-N 3.27Å; S14-L18 WeakPolarHBondContact O-CB 3.3Å; S14-L18 PolarHBondContact O-N 3.46Å
15	K	52.9	Low	54.5	Low	152 Å²	152	103.1 Å²	103.1	66%	0.661	54%	0.537	S	S	*	.	H	α-helix	trans	-68.9	-47.8	174.2	-81.3	-179.2	173.9	-176.5	0	111.3	S11 S12 F17 L18 D19	S11-K15 WeakPolarHBondContact O-CG 3.42Å; S11-K15 PolarHBondContact O-N 3.46Å; S11-K15 VanDerWaalsContact O-N 3.17Å; S12-K15 PolarHBondContact O-N 2.87Å; K15-F17 VanDerWaalsContact C-N 3.29Å; K15-F17 PolarHBondContact O-N 3.49Å; K15-L18 PolarHBondContact O-N 3.33Å; K15-D19 PolarHBondContact O-N 3.24Å
16	T	54.8	Low	55.2	Low	89 Å²	89	101 Å²	101	55%	0.546	54%	0.54	S	S	.	.	H	α-helix	trans	-64.9	-29.6	177.4	45.9	0	0	0	0	113.8	S12 Q13	S12-T16 PolarHBondContact O-N 3.35Å; S12-T16 PolarHBondContact O-OG1 3.42Å; Q13-T16 VanDerWaalsContact CA-OG1 3.3Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.44Å; Q13-T16 PolarHBondContact O-OG1 2.96Å
17	F	58.9	Low	56.1	Low	130 Å²	130	104.6 Å²	104.6	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-75.3	-34.3	176.2	-169.1	-95.1	0	0	0	112.2	Q13 K15 Y21	Q13-F17 VanDerWaalsContact O-CB 3.24Å; Q13-F17 WeakPolarHBondContact O-CB 3.39Å; Q13-F17 PolarHBondContact O-N 2.85Å; K15-F17 VanDerWaalsContact C-N 3.29Å; K15-F17 PolarHBondContact O-N 3.49Å; F17-Y21 HydrophobicContact CZ-CE2 4.41Å
18	L	53.5	Low	56.9	Low	39 Å²	39	104.9 Å²	104.9	20%	0.204	55%	0.545	C	S	.	.	H	α-helix	trans	-76.3	-27.6	178.9	-140.2	87.1	0	0	0	112.7	S14 K15 S20 Y21 Q25 Q28	S14-L18 WeakPolarHBondContact O-CB 3.3Å; S14-L18 PolarHBondContact O-N 3.46Å; K15-L18 PolarHBondContact O-N 3.33Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-Y21 PolarHBondContact O-N 3.06Å; L18-Q25 HydrophobicContact CD2-CG 3.44Å; L18-Q25 VanDerWaalsContact CD2-CG 3.44Å; L18-Q25 HydrophobicContact CG-CG 3.84Å; L18-Q28 HydrophobicContact CD2-CG 4.34Å
19	D	60.4	Low	57.7	Low	113 Å²	113	104.2 Å²	104.2	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-72.9	-23.4	176.1	-71.3	-22.4	0	0	0	112.8	K15 Y21 Q25	K15-D19 PolarHBondContact O-N 3.24Å; D19-Y21 VanDerWaalsContact C-N 3.31Å; D19-Y21 PolarHBondContact O-N 3.47Å; D19-Q25 PolarHBondContact OD1-NE2 2.93Å; D19-Q25 VanDerWaalsContact OD1-NE2 3.13Å
20	S	64.2	Low	58.9	Low	86 Å²	86	101.8 Å²	101.8	60%	0.601	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.3	175.6	-80.8	0	0	0	0	114.4	L18	L18-S20 VanDerWaalsContact C-N 3.32Å
21	Y	63.1	Low	60	Low	130 Å²	130	100 Å²	100	51%	0.51	54%	0.543	S	S	.	.			trans	-140.3	83.3	-176.8	-62.5	-76.2	0	0	0	110.2	F17 L18 D19 E23 L24	F17-Y21 HydrophobicContact CZ-CE2 4.41Å; L18-Y21 PolarHBondContact O-N 3.06Å; D19-Y21 VanDerWaalsContact C-N 3.31Å; D19-Y21 PolarHBondContact O-N 3.47Å; Y21-E23 PolarHBondContact O-N 2.95Å; Y21-E23 VanDerWaalsContact O-N 3.13Å; Y21-L24 HydrophobicContact CD2-CD1 4.41Å; Y21-L24 HydrophobicContact CG-CD1 4.19Å; Y21-L24 WeakPolarHBondContact O-CB 3.24Å; Y21-L24 PolarHBondContact O-N 2.93Å
22	P	63	Low	61.2	Low	95 Å²	95	102.6 Å²	102.6	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-61.1	-24.6	-176.6	23.2	-33.1	0	0	0	113.1	L24 Q25	P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.49Å; P22-Q25 PolarHBondContact O-N 3.36Å
23	E	66.9	Low	62.5	Low	160 Å²	160	104.6 Å²	104.6	75%	0.748	55%	0.551	S	S	*	*	H	α-helix	trans	-62.8	-32	173.3	-60.7	-169.6	-179.9	0	0	112.4	Y21 A26 Y27	Y21-E23 PolarHBondContact O-N 2.95Å; Y21-E23 VanDerWaalsContact O-N 3.13Å; E23-A26 PolarHBondContact O-N 3.33Å; E23-Y27 WeakPolarHBondContact O-CD2 3.2Å
24	L	58.9	Low	63.6	Low	85 Å²	85	103.8 Å²	103.8	45%	0.445	55%	0.545	S	S	.	.	H	α-helix	trans	-77.4	-21.5	178.3	-71.6	170.6	0	0	0	113.1	Y21 P22 Y27	Y21-L24 HydrophobicContact CD2-CD1 4.41Å; Y21-L24 HydrophobicContact CG-CD1 4.19Å; Y21-L24 WeakPolarHBondContact O-CB 3.24Å; Y21-L24 PolarHBondContact O-N 2.93Å; P22-L24 VanDerWaalsContact C-N 3.26Å; P22-L24 PolarHBondContact O-N 3.49Å; L24-Y27 PolarHBondContact O-N 3.44Å
25	Q	61.5	Low	64.9	Low	88 Å²	88	104.3 Å²	104.3	41%	0.411	55%	0.548	S	S	.	.	H	α-helix	trans	-69.4	-34.8	171.3	-83.5	-178.7	2.1	0	0	111.8	L18 D19 P22 Y27 Q28	L18-Q25 HydrophobicContact CD2-CG 3.44Å; L18-Q25 VanDerWaalsContact CD2-CG 3.44Å; L18-Q25 HydrophobicContact CG-CG 3.84Å; D19-Q25 PolarHBondContact OD1-NE2 2.93Å; D19-Q25 VanDerWaalsContact OD1-NE2 3.13Å; P22-Q25 PolarHBondContact O-N 3.36Å; Q25-Y27 PolarHBondContact O-N 3.2Å; Q25-Q28 PolarHBondContact O-N 3.07Å; Q25-Q28 VanDerWaalsContact O-N 3.13Å
26	A	65.2	Low	66.1	Low	86 Å²	86	102.7 Å²	102.7	71%	0.711	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-22.7	177.7	0	0	0	0	0	113.3	E23	E23-A26 PolarHBondContact O-N 3.33Å
27	Y	63.1	Low	67.1	Low	196 Å²	196	102.5 Å²	102.5	77%	0.769	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	3.2	176.4	-66.5	-73.4	0	0	0	114	E23 L24 Q25 A29	E23-Y27 WeakPolarHBondContact O-CD2 3.2Å; L24-Y27 PolarHBondContact O-N 3.44Å; Q25-Y27 PolarHBondContact O-N 3.2Å; Y27-A29 PolarHBondContact O-N 3.49Å
28	Q	65	Low	67.9	Low	114 Å²	114	97.8 Å²	97.8	53%	0.533	52%	0.52	S	S	.	.	S	Bend	trans	-75.8	118.7	174.3	-76.1	-159.7	-17.4	0	0	111.2	L18 Q25 T30	L18-Q28 HydrophobicContact CD2-CG 4.34Å; Q25-Q28 PolarHBondContact O-N 3.07Å; Q25-Q28 VanDerWaalsContact O-N 3.13Å; Q28-T30 PolarHBondContact O-N 3.24Å
29	A	64.3	Low	69.1	Low	46 Å²	46	102.5 Å²	102.5	38%	0.38	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-52.6	127.4	178.5	0	0	0	0	0	111.9	Y27 E33 K34	Y27-A29 PolarHBondContact O-N 3.49Å; A29-E33 WeakPolarHBondContact CA-OE2 3.33Å; A29-E33 HydrophobicContact CB-CB 4.4Å; A29-K34 HydrophobicContact CB-CG 4.27Å; A29-K34 WeakPolarHBondContact O-CE 3.37Å; A29-K34 PolarHBondContact O-NZ 3.13Å
30	T	72.6	Confident	70.1	Confident	76 Å²	76	101.5 Å²	101.5	47%	0.466	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-62.9	156.7	177.3	52.9	0	0	0	0	110.8	Q28 E32 E33 K34	Q28-T30 PolarHBondContact O-N 3.24Å; T30-E32 PolarHBondContact O-N 3.02Å; T30-E33 PolarHBondContact N-OE2 3.48Å; T30-E33 PolarHBondContact O-N 3.46Å; T30-E33 VanDerWaalsContact O-N 3.17Å; T30-E33 WeakPolarHBondContact OG1-CG 3.47Å; T30-E33 PolarHBondContact OG1-OE2 3.17Å; T30-K34 PolarHBondContact O-N 2.83Å
31	S	71.7	Confident	70.9	Confident	103 Å²	103	98.5 Å²	98.5	72%	0.72	52%	0.516	S	S	*	.	H	α-helix	trans	-57.4	-34	179	47.3	0	0	0	0	112.3	K34 C35	S31-K34 PolarHBondContact O-N 3.27Å; S31-C35 PolarHBondContact O-N 3.42Å
32	E	76.3	Confident	71.7	Confident	118 Å²	118	96.3 Å²	96.3	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-68.2	-43.5	176.7	-155.5	-169.8	145	0	0	112.2	T30 K34 C35 K36	T30-E32 PolarHBondContact O-N 3.02Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.36Å; E32-C35 PolarHBondContact O-N 3.26Å; E32-K36 PolarHBondContact O-N 2.77Å; E32-K36 WeakPolarHBondContact OE1-CE 3.5Å; E32-K36 IonicContact OE1-NZ 3.23Å; E32-K36 PolarHBondContact OE1-NZ 3.23Å
33	E	76.2	Confident	72.8	Confident	100 Å²	100	97.7 Å²	97.7	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-40.7	174.8	-74	167.1	154.8	0	0	111.5	A29 T30 C35 K36 T37	A29-E33 WeakPolarHBondContact CA-OE2 3.33Å; A29-E33 HydrophobicContact CB-CB 4.4Å; T30-E33 PolarHBondContact N-OE2 3.48Å; T30-E33 PolarHBondContact O-N 3.46Å; T30-E33 VanDerWaalsContact O-N 3.17Å; T30-E33 WeakPolarHBondContact OG1-CG 3.47Å; T30-E33 PolarHBondContact OG1-OE2 3.17Å; E33-C35 PolarHBondContact O-N 3.5Å; E33-K36 PolarHBondContact O-N 2.88Å; E33-T37 WeakPolarHBondContact O-CB 3.5Å; E33-T37 PolarHBondContact O-N 3.34Å; E33-T37 PolarHBondContact O-OG1 3.39Å
34	K	72.8	Confident	73.6	Confident	106 Å²	106	96.8 Å²	96.8	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-45.7	174.7	-70.6	173.7	-177.3	160.7	0	111.3	A29 T30 S31 E32 T37 I38	A29-K34 HydrophobicContact CB-CG 4.27Å; A29-K34 WeakPolarHBondContact O-CE 3.37Å; A29-K34 PolarHBondContact O-NZ 3.13Å; T30-K34 PolarHBondContact O-N 2.83Å; S31-K34 PolarHBondContact O-N 3.27Å; E32-K34 VanDerWaalsContact C-N 3.33Å; E32-K34 PolarHBondContact O-N 3.36Å; K34-T37 PolarHBondContact O-N 3.05Å; K34-I38 WeakPolarHBondContact O-CD1 3.5Å; K34-I38 WeakPolarHBondContact O-CG1 3.2Å; K34-I38 PolarHBondContact O-N 3.14Å
35	C	76.8	Confident	74.7	Confident	79 Å²	79	95 Å²	95	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-42.6	178.4	-157.8	0	0	0	0	112	S31 E32 E33 T37 I38 M39	S31-C35 PolarHBondContact O-N 3.42Å; E32-C35 PolarHBondContact O-N 3.26Å; E33-C35 PolarHBondContact O-N 3.5Å; C35-T37 PolarHBondContact O-N 2.94Å; C35-I38 WeakPolarHBondContact O-CB 3.44Å; C35-I38 PolarHBondContact O-N 2.98Å; C35-M39 PolarHBondContact O-N 2.98Å
36	K	78.3	Confident	75.8	Confident	118 Å²	118	95 Å²	95	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-60.5	-44.1	173.6	-76.9	176.4	-176	160.2	0	111.9	E32 E33 I38 M39 I40	E32-K36 PolarHBondContact O-N 2.77Å; E32-K36 WeakPolarHBondContact OE1-CE 3.5Å; E32-K36 IonicContact OE1-NZ 3.23Å; E32-K36 PolarHBondContact OE1-NZ 3.23Å; E33-K36 PolarHBondContact O-N 2.88Å; K36-I38 VanDerWaalsContact C-N 3.29Å; K36-I38 PolarHBondContact O-N 3.31Å; K36-M39 PolarHBondContact O-N 3.39Å; K36-I40 WeakPolarHBondContact O-CB 3.21Å; K36-I40 WeakPolarHBondContact O-CD1 3.44Å; K36-I40 WeakPolarHBondContact O-CG1 3.11Å; K36-I40 PolarHBondContact O-N 2.99Å
37	T	77.3	Confident	76.9	Confident	84 Å²	84	93.9 Å²	93.9	52%	0.515	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-36.2	179.3	-49.3	0	0	0	0	111.9	E33 K34 C35 S41	E33-T37 WeakPolarHBondContact O-CB 3.5Å; E33-T37 PolarHBondContact O-N 3.34Å; E33-T37 PolarHBondContact O-OG1 3.39Å; K34-T37 PolarHBondContact O-N 3.05Å; C35-T37 PolarHBondContact O-N 2.94Å; T37-S41 WeakPolarHBondContact O-CB 3.41Å; T37-S41 PolarHBondContact O-N 3.38Å; T37-S41 PolarHBondContact O-OG 3.44Å
38	I	74.9	Confident	77.8	Confident	31 Å²	31	87.1 Å²	87.1	16%	0.159	45%	0.453	C	S	.	.	H	α-helix	trans	-65.8	-50.5	175	-70.1	166.6	0	0	0	110.8	K34 C35 K36 I40 S41 I42 T679 V683	K34-I38 WeakPolarHBondContact O-CD1 3.5Å; K34-I38 WeakPolarHBondContact O-CG1 3.2Å; K34-I38 PolarHBondContact O-N 3.14Å; C35-I38 WeakPolarHBondContact O-CB 3.44Å; C35-I38 PolarHBondContact O-N 2.98Å; K36-I38 VanDerWaalsContact C-N 3.29Å; K36-I38 PolarHBondContact O-N 3.31Å; I38-I40 VanDerWaalsContact C-N 3.31Å; I38-I40 PolarHBondContact O-N 2.89Å; I38-S41 PolarHBondContact O-N 3.48Å; I38-I42 HydrophobicContact CG2-CD1 3.92Å; I38-I42 WeakPolarHBondContact O-CG1 3.44Å; I38-I42 PolarHBondContact O-N 2.7Å; I38-T679 HydrophobicContact CB-CG2 3.92Å; I38-T679 HydrophobicContact CG1-CG2 3.69Å; I38-T679 HydrophobicContact CG2-CG2 3.52Å; I38-V683 HydrophobicContact CD1-CG2 3.8Å; I38-V683 HydrophobicContact CG2-CG2 4.14Å
39	M	78.8	Confident	78.8	Confident	139 Å²	139	86.5 Å²	86.5	69%	0.685	45%	0.452	S	S	*	.	H	α-helix	trans	-56.6	-45.7	175.6	-88.9	-95.2	-107.1	0	0	111.7	C35 K36 S41 I42 F43	C35-M39 PolarHBondContact O-N 2.98Å; K36-M39 PolarHBondContact O-N 3.39Å; M39-S41 PolarHBondContact O-N 3.3Å; M39-I42 PolarHBondContact O-N 3.03Å; M39-F43 VanDerWaalsContact O-CB 3.27Å; M39-F43 WeakPolarHBondContact O-CB 3.41Å; M39-F43 PolarHBondContact O-N 3.31Å
40	I	82	Confident	79.9	Confident	91 Å²	91	90 Å²	90	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-62.2	-44.2	178.7	-70	164.7	0	0	0	110.9	K36 I38 F43 Y44	K36-I40 WeakPolarHBondContact O-CB 3.21Å; K36-I40 WeakPolarHBondContact O-CD1 3.44Å; K36-I40 WeakPolarHBondContact O-CG1 3.11Å; K36-I40 PolarHBondContact O-N 2.99Å; I38-I40 VanDerWaalsContact C-N 3.31Å; I38-I40 PolarHBondContact O-N 2.89Å; I40-F43 PolarHBondContact O-N 2.89Å; I40-Y44 HydrophobicContact CG2-CD2 3.56Å; I40-Y44 HydrophobicContact CG2-CE2 3.53Å; I40-Y44 VanDerWaalsContact O-CD2 3.25Å; I40-Y44 WeakPolarHBondContact O-CD2 3.17Å; I40-Y44 PolarHBondContact O-N 2.92Å
41	S	79.7	Confident	80.7	Confident	24 Å²	24	91.2 Å²	91.2	17%	0.168	47%	0.466	C	S	.	.	H	α-helix	trans	-66.8	-40.8	-179.6	-67.1	0	0	0	0	112.4	T37 I38 M39 L45	T37-S41 WeakPolarHBondContact O-CB 3.41Å; T37-S41 PolarHBondContact O-N 3.38Å; T37-S41 PolarHBondContact O-OG 3.44Å; I38-S41 PolarHBondContact O-N 3.48Å; M39-S41 PolarHBondContact O-N 3.3Å; S41-L45 WeakPolarHBondContact O-CB 3.33Å; S41-L45 PolarHBondContact O-N 3.27Å
42	I	81.5	Confident	81.2	Confident	83 Å²	83	87.8 Å²	87.8	43%	0.426	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-44.3	173.9	-68.4	170.2	0	0	0	110.2	I38 M39 L45 L46	I38-I42 HydrophobicContact CG2-CD1 3.92Å; I38-I42 WeakPolarHBondContact O-CG1 3.44Å; I38-I42 PolarHBondContact O-N 2.7Å; M39-I42 PolarHBondContact O-N 3.03Å; I42-L45 PolarHBondContact O-N 3.48Å; I42-L46 WeakPolarHBondContact O-CB 3.39Å; I42-L46 PolarHBondContact O-N 2.91Å
43	F	86	Confident	81.4	Confident	125 Å²	125	85.6 Å²	85.6	55%	0.548	44%	0.442	S	S	.	.	H	α-helix	trans	-60.2	-47.3	178.4	179.1	-104	0	0	0	112.4	M39 I40 L45 L46 I47	M39-F43 VanDerWaalsContact O-CB 3.27Å; M39-F43 WeakPolarHBondContact O-CB 3.41Å; M39-F43 PolarHBondContact O-N 3.31Å; I40-F43 PolarHBondContact O-N 2.89Å; F43-L45 PolarHBondContact O-N 3.45Å; F43-L46 PolarHBondContact O-N 3.02Å; F43-I47 HydrophobicContact CD1-CD1 3.86Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.37Å; F43-I47 HydrophobicContact CE2-CD1 4.04Å; F43-I47 HydrophobicContact CG-CD1 4.48Å; F43-I47 HydrophobicContact CZ-CD1 3.38Å; F43-I47 HydrophobicContact CZ-CG1 4.3Å; F43-I47 PolarHBondContact O-N 3.01Å
44	Y	82.6	Confident	81.9	Confident	141 Å²	141	84.2 Å²	84.2	55%	0.553	44%	0.441	S	S	*	.	H	α-helix	trans	-61.2	-43.4	175.6	-86.6	-66.6	0	0	0	111.9	I40 L46 I47 T48	I40-Y44 HydrophobicContact CG2-CD2 3.56Å; I40-Y44 HydrophobicContact CG2-CE2 3.53Å; I40-Y44 VanDerWaalsContact O-CD2 3.25Å; I40-Y44 WeakPolarHBondContact O-CD2 3.17Å; I40-Y44 PolarHBondContact O-N 2.92Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3Å; Y44-I47 PolarHBondContact O-N 2.89Å; Y44-T48 PolarHBondContact O-N 2.81Å; Y44-T48 PolarHBondContact O-OG1 3.38Å
45	L	82.5	Confident	82.4	Confident	48 Å²	48	84.5 Å²	84.5	25%	0.251	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.9	179.7	144.9	0	0	0	111.8	S41 I42 F43 T48 I49 T676	S41-L45 WeakPolarHBondContact O-CB 3.33Å; S41-L45 PolarHBondContact O-N 3.27Å; I42-L45 PolarHBondContact O-N 3.48Å; F43-L45 PolarHBondContact O-N 3.45Å; L45-T48 PolarHBondContact O-N 3.43Å; L45-I49 HydrophobicContact CD2-CD1 3.54Å; L45-I49 HydrophobicContact CD2-CG1 4.44Å; L45-I49 HydrophobicContact CG-CD1 4.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.24Å; L45-T676 HydrophobicContact CD1-CG2 3.7Å; L45-T676 WeakPolarHBondContact CD1-OG1 3.39Å
46	L	85.2	Confident	82.4	Confident	87 Å²	87	83.7 Å²	83.7	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-44.4	178.9	-130.8	160.3	0	0	0	111.2	I42 F43 Y44 I49 L50	I42-L46 WeakPolarHBondContact O-CB 3.39Å; I42-L46 PolarHBondContact O-N 2.91Å; F43-L46 PolarHBondContact O-N 3.02Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3Å; L46-I49 PolarHBondContact O-N 3.45Å; L46-L50 HydrophobicContact CD2-CD1 3.23Å; L46-L50 HydrophobicContact CD2-CG 3.89Å; L46-L50 WeakPolarHBondContact O-CB 3.34Å; L46-L50 PolarHBondContact O-N 2.91Å
47	I	87.5	Confident	82.3	Confident	63 Å²	63	85.1 Å²	85.1	32%	0.323	44%	0.435	S	S	.	.	H	α-helix	trans	-61.2	-45.9	173.3	-74.7	177.3	0	0	0	111.2	F43 Y44 I49 I51 G52	F43-I47 HydrophobicContact CD1-CD1 3.86Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.37Å; F43-I47 HydrophobicContact CE2-CD1 4.04Å; F43-I47 HydrophobicContact CG-CD1 4.48Å; F43-I47 HydrophobicContact CZ-CD1 3.38Å; F43-I47 HydrophobicContact CZ-CG1 4.3Å; F43-I47 PolarHBondContact O-N 3.01Å; Y44-I47 PolarHBondContact O-N 2.89Å; I47-I49 VanDerWaalsContact C-N 3.29Å; I47-I49 PolarHBondContact O-N 2.96Å; I47-I51 HydrophobicContact CG2-CD1 4.41Å; I47-I51 WeakPolarHBondContact O-CA 3.4Å; I47-I51 WeakPolarHBondContact O-CB 3.27Å; I47-I51 PolarHBondContact O-N 3.41Å; I47-G52 PolarHBondContact O-N 3.33Å; I47-G52 VanDerWaalsContact O-N 3.1Å
48	T	82.5	Confident	82.4	Confident	54 Å²	54	89.6 Å²	89.6	33%	0.331	45%	0.448	S	S	.	.	I	π-helix	trans	-61.7	-39.3	179.8	-56.3	0	0	0	0	111.3	Y44 L45 G52 V53 L672	Y44-T48 PolarHBondContact O-N 2.81Å; Y44-T48 PolarHBondContact O-OG1 3.38Å; L45-T48 PolarHBondContact O-N 3.43Å; T48-G52 CarbonylContact O-C 3.38Å; T48-G52 WeakPolarHBondContact O-CA 3.41Å; T48-G52 PolarHBondContact O-N 3.48Å; T48-V53 PolarHBondContact O-N 2.95Å; T48-L672 HydrophobicContact CG2-CD1 4.02Å
49	I	84.4	Confident	82.5	Confident	101 Å²	101	92.9 Å²	92.9	52%	0.518	47%	0.469	S	S	.	.	I	π-helix	trans	-76.2	-44.3	179.4	-67	176.1	0	0	0	112.1	L45 L46 I47 P54	L45-I49 HydrophobicContact CD2-CD1 3.54Å; L45-I49 HydrophobicContact CD2-CG1 4.44Å; L45-I49 HydrophobicContact CG-CD1 4.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.24Å; L46-I49 PolarHBondContact O-N 3.45Å; I47-I49 VanDerWaalsContact C-N 3.29Å; I47-I49 PolarHBondContact O-N 2.96Å; I49-P54 VanDerWaalsContact O-CD 3.26Å; I49-P54 WeakPolarHBondContact O-CD 3.36Å
50	L	88.7	Confident	82.2	Confident	119 Å²	119	88.3 Å²	88.3	62%	0.623	45%	0.449	S	S	*	.	I	π-helix	trans	-80	-31.5	-176	-80.1	177.3	0	0	0	114	L46 P54	L46-L50 HydrophobicContact CD2-CD1 3.23Å; L46-L50 HydrophobicContact CD2-CG 3.89Å; L46-L50 WeakPolarHBondContact O-CB 3.34Å; L46-L50 PolarHBondContact O-N 2.91Å; L50-P54 VanDerWaalsContact O-CG 3.31Å; L50-P54 WeakPolarHBondContact O-CG 3.25Å
51	I	88.2	Confident	81.7	Confident	101 Å²	101	86.5 Å²	86.5	52%	0.518	45%	0.448	S	S	.	.	I	π-helix	trans	-113.5	-49.6	-176.3	-57.4	176.5	0	0	0	109.6	I47 P54 L55	I47-I51 HydrophobicContact CG2-CD1 4.41Å; I47-I51 WeakPolarHBondContact O-CA 3.4Å; I47-I51 WeakPolarHBondContact O-CB 3.27Å; I47-I51 PolarHBondContact O-N 3.41Å; I51-P54 WeakPolarHBondContact O-CD 3.02Å; I51-L55 WeakPolarHBondContact O-CB 3.33Å; I51-L55 PolarHBondContact O-N 2.8Å
52	G	82.5	Confident	81.3	Confident	31 Å²	31	88.6 Å²	88.6	32%	0.32	46%	0.461	S	S	.	.	I	π-helix	trans	-60.3	-53.3	-175.4	0	0	0	0	0	113.1	I47 T48 W56	I47-G52 PolarHBondContact O-N 3.33Å; I47-G52 VanDerWaalsContact O-N 3.1Å; T48-G52 CarbonylContact O-C 3.38Å; T48-G52 WeakPolarHBondContact O-CA 3.41Å; T48-G52 PolarHBondContact O-N 3.48Å; G52-W56 WeakPolarHBondContact O-CB 3.27Å; G52-W56 PolarHBondContact O-N 2.93Å
53	V	81.6	Confident	81.1	Confident	73 Å²	73	91.9 Å²	91.9	44%	0.442	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-46.7	-178	176.1	0	0	0	0	112.1	T48 W56 W57	T48-V53 PolarHBondContact O-N 2.95Å; V53-W56 PolarHBondContact O-N 3.49Å; V53-W57 WeakPolarHBondContact O-CB 3.41Å; V53-W57 PolarHBondContact O-N 3.33Å
54	P	85.8	Confident	80.7	Confident	71 Å²	71	89.3 Å²	89.3	46%	0.461	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-40	177.5	-26.5	38.4	0	0	0	113.4	I49 L50 I51 W57 K58	I49-P54 VanDerWaalsContact O-CD 3.26Å; I49-P54 WeakPolarHBondContact O-CD 3.36Å; L50-P54 VanDerWaalsContact O-CG 3.31Å; L50-P54 WeakPolarHBondContact O-CG 3.25Å; I51-P54 WeakPolarHBondContact O-CD 3.02Å; P54-W57 PolarHBondContact O-N 2.96Å; P54-K58 WeakPolarHBondContact O-CB 3.25Å; P54-K58 PolarHBondContact O-N 3.42Å
55	L	82.8	Confident	80.8	Confident	112 Å²	112	82.9 Å²	82.9	59%	0.586	43%	0.434	S	S	*	.	H	α-helix	trans	-63.3	-46.7	176	-169.9	103.9	0	0	0	110	I51 K58 T59	I51-L55 WeakPolarHBondContact O-CB 3.33Å; I51-L55 PolarHBondContact O-N 2.8Å; L55-K58 PolarHBondContact O-N 3.23Å; L55-T59 HydrophobicContact CG-CG2 4.4Å; L55-T59 WeakPolarHBondContact O-CB 3.43Å; L55-T59 VanDerWaalsContact O-CG2 3.3Å; L55-T59 WeakPolarHBondContact O-CG2 3.37Å; L55-T59 PolarHBondContact O-N 2.86Å; L55-T59 PolarHBondContact O-OG1 3.27Å
56	W	76.7	Confident	81	Confident	61 Å²	61	84.8 Å²	84.8	23%	0.231	45%	0.452	C	S	.	.	H	α-helix	trans	-55.9	-54.9	175.8	174.8	65.4	0	0	0	110.8	G52 V53 K58 T59 T60 Y661 F665	G52-W56 WeakPolarHBondContact O-CB 3.27Å; G52-W56 PolarHBondContact O-N 2.93Å; V53-W56 PolarHBondContact O-N 3.49Å; W56-K58 VanDerWaalsContact C-N 3.28Å; W56-K58 PolarHBondContact O-N 2.89Å; W56-T59 WeakPolarHBondContact CA-OG1 3.3Å; W56-T59 PolarHBondContact O-N 2.72Å; W56-T59 PolarHBondContact O-OG1 2.93Å; W56-T60 HydrophobicContact CG-CG2 4.45Å; W56-T60 VanDerWaalsContact NE1-CG2 3.34Å; W56-T60 PolarHBondContact O-N 3.43Å; W56-T60 PolarHBondContact O-OG1 2.95Å; W56-Y661 HydrophobicContact CZ2-CD1 4.49Å; W56-Y661 HydrophobicContact CZ2-CD2 4.18Å; W56-Y661 HydrophobicContact CZ2-CG 4.11Å; W56-F665 AromaticContact CD1-CZ 3.35Å; W56-F665 HydrophobicContact CD2-CE1 4.44Å; W56-F665 HydrophobicContact CD2-CZ 4.06Å; W56-F665 AromaticContact CE2-CE2 3.59Å; W56-F665 AromaticContact CE2-CZ 3.55Å; W56-F665 HydrophobicContact CG-CE1 4.34Å; W56-F665 AromaticContact CG-CZ 3.93Å; W56-F665 HydrophobicContact CG-CZ 3.93Å; W56-F665 HydrophobicContact CZ2-CD2 4.28Å; W56-F665 AromaticContact CZ2-CE2 3.85Å; W56-F665 HydrophobicContact CZ2-CE2 3.85Å; W56-F665 HydrophobicContact CZ2-CZ 4.23Å; W56-F665 AromaticContact NE1-CE2 3.26Å; W56-F665 VanDerWaalsContact NE1-CE2 3.26Å; W56-F665 AromaticContact NE1-CZ 3.07Å
57	W	76.2	Confident	81.2	Confident	149 Å²	149	81.4 Å²	81.4	56%	0.564	43%	0.434	S	S	*	.	H	α-helix	trans	-54.7	-44.4	179.4	-169.1	-83.1	0	0	0	112.2	V53 P54 A61	V53-W57 WeakPolarHBondContact O-CB 3.41Å; V53-W57 PolarHBondContact O-N 3.33Å; P54-W57 PolarHBondContact O-N 2.96Å; W57-A61 WeakPolarHBondContact O-CB 3.4Å; W57-A61 PolarHBondContact O-N 3.47Å
58	K	79.4	Confident	81.4	Confident	178 Å²	178	79 Å²	79	77%	0.774	42%	0.423	S	S	*	.	H	α-helix	trans	-66.9	-37.1	178.2	-172.2	174.7	-179.6	177.8	0	112.6	P54 L55 W56	P54-K58 WeakPolarHBondContact O-CB 3.25Å; P54-K58 PolarHBondContact O-N 3.42Å; L55-K58 PolarHBondContact O-N 3.23Å; W56-K58 VanDerWaalsContact C-N 3.28Å; W56-K58 PolarHBondContact O-N 2.89Å
59	T	78.1	Confident	81.8	Confident	100 Å²	100	81 Å²	81	61%	0.613	43%	0.425	S	S	*	.	H	α-helix	trans	-80.2	-22.5	-179.5	55.6	0	0	0	0	114	L55 W56	L55-T59 HydrophobicContact CG-CG2 4.4Å; L55-T59 WeakPolarHBondContact O-CB 3.43Å; L55-T59 VanDerWaalsContact O-CG2 3.3Å; L55-T59 WeakPolarHBondContact O-CG2 3.37Å; L55-T59 PolarHBondContact O-N 2.86Å; L55-T59 PolarHBondContact O-OG1 3.27Å; W56-T59 WeakPolarHBondContact CA-OG1 3.3Å; W56-T59 PolarHBondContact O-N 2.72Å; W56-T59 PolarHBondContact O-OG1 2.93Å
60	T	72.1	Confident	82	Confident	43 Å²	43	82.7 Å²	82.7	26%	0.264	44%	0.435	S	S	.	.	H	α-helix	trans	-103.4	-8.3	179.9	57.4	0	0	0	0	114.1	W56 P62 Y661	W56-T60 HydrophobicContact CG-CG2 4.45Å; W56-T60 VanDerWaalsContact NE1-CG2 3.34Å; W56-T60 PolarHBondContact O-N 3.43Å; W56-T60 PolarHBondContact O-OG1 2.95Å; T60-P62 WeakPolarHBondContact O-CD 3.36Å; T60-Y661 HydrophobicContact CG2-CE1 4.29Å
61	A	72.1	Confident	82.2	Confident	52 Å²	52	80.4 Å²	80.4	43%	0.43	42%	0.421	S	S	.	.	S	Bend	trans	-64.4	124.6	170.2	0	0	0	0	0	108.7	W57 Y63	W57-A61 WeakPolarHBondContact O-CB 3.4Å; W57-A61 PolarHBondContact O-N 3.47Å; A61-Y63 PolarHBondContact O-N 3.05Å
62	P	69.9	Low	82.4	Confident	69 Å²	69	75.8 Å²	75.8	45%	0.448	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-57.1	139.7	172.2	18.5	-24.7	0	0	0	109.2	T60 H64 I580	T60-P62 WeakPolarHBondContact O-CD 3.36Å; P62-H64 PolarHBondContact O-CD2 2.95Å; P62-H64 PolarHBondContact O-N 3.28Å; P62-I580 HydrophobicContact CB-CD1 4.11Å; P62-I580 HydrophobicContact CB-CG1 4.17Å
63	Y	77.9	Confident	82.7	Confident	151 Å²	151	81.3 Å²	81.3	59%	0.592	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-66.9	126.1	176	173.2	-99	0	0	0	109	A61 A65 D583	A61-Y63 PolarHBondContact O-N 3.05Å; Y63-A65 HydrophobicContact CE1-CB 4.27Å; Y63-D583 WeakPolarHBondContact CE1-OD1 2.99Å; Y63-D583 PolarHBondContact OH-OD1 2.85Å
64	H	77	Confident	83.1	Confident	72 Å²	72	83.5 Å²	83.5	33%	0.333	42%	0.422	S	S	.	.			trans	-118	120.4	172.4	-65.4	-91.2	0	0	0	108.3	P62 M579	P62-H64 PolarHBondContact O-CD2 2.95Å; P62-H64 PolarHBondContact O-N 3.28Å; H64-M579 PolarHBondContact CE1-O 3.17Å; H64-M579 PolarHBondContact ND1-O 3.42Å
65	A	84.7	Confident	83.4	Confident	5 Å²	5	80.5 Å²	80.5	4%	0.041	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-64.5	139.7	169.5	0	0	0	0	0	110.1	Y63 I581 A586	Y63-A65 HydrophobicContact CE1-CB 4.27Å; A65-I581 HydrophobicContact CB-CG2 4.29Å; A65-I581 WeakPolarHBondContact CB-O 3.38Å; A65-I581 PolarHBondContact N-O 2.88Å; A65-A586 HydrophobicContact CB-CB 3.51Å
66	S	88.1	Confident	83.6	Confident	88 Å²	88	76.3 Å²	76.3	62%	0.615	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-78.4	130.6	-179.8	52.9	0	0	0	0	111.5	Y590	S66-Y590 WeakPolarHBondContact O-CE2 3.31Å; S66-Y590 PolarHBondContact O-OH 2.89Å
67	L	89.2	Confident	84	Confident	17 Å²	17	77.7 Å²	77.7	9%	0.089	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-99.7	150.9	176.9	-67.7	172.5	0	0	0	112.4	Y69 L573 I581 A586 V589	L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 HydrophobicContact CB-CD2 4.28Å; L67-Y69 HydrophobicContact CB-CE2 3.87Å; L67-Y69 WeakPolarHBondContact O-CD2 3.09Å; L67-Y69 PolarHBondContact O-N 2.86Å; L67-L573 HydrophobicContact CD1-CD1 3.3Å; L67-L573 HydrophobicContact CD1-CD2 4.48Å; L67-I581 HydrophobicContact CD1-CD1 3.61Å; L67-I581 HydrophobicContact CD1-CG1 4.43Å; L67-I581 HydrophobicContact CD1-CG2 4.49Å; L67-I581 HydrophobicContact CD2-CG2 4.3Å; L67-I581 HydrophobicContact CG-CD1 4.1Å; L67-I581 HydrophobicContact CG-CG2 4.43Å; L67-A586 HydrophobicContact CD2-CB 4.05Å; L67-V589 HydrophobicContact CD2-CB 3.85Å; L67-V589 HydrophobicContact CD2-CG1 4.05Å; L67-V589 HydrophobicContact CD2-CG2 3.88Å
68	P	91.6	Very high	84.6	Confident	12 Å²	12	75 Å²	75	8%	0.078	39%	0.39	C	S	.	.			trans	-80	64.4	-177.9	32.7	-34.7	0	0	0	113	D70 E71 I72 V589 Y590	P68-D70 PolarHBondContact O-N 3.3Å; P68-E71 HydrophobicContact CB-CB 4.03Å; P68-E71 PolarHBondContact O-N 2.87Å; P68-I72 HydrophobicContact CG-CD1 4.21Å; P68-I72 HydrophobicContact CG-CG1 4.49Å; P68-I72 WeakPolarHBondContact O-CD1 3.26Å; P68-I72 VanDerWaalsContact O-CG1 3.27Å; P68-I72 WeakPolarHBondContact O-CG1 3.36Å; P68-I72 PolarHBondContact O-N 3.42Å; P68-V589 HydrophobicContact CG-CG1 4.07Å; P68-Y590 HydrophobicContact CB-CD1 3.89Å; P68-Y590 HydrophobicContact CB-CE1 3.5Å; P68-Y590 HydrophobicContact CG-CD1 3.74Å; P68-Y590 HydrophobicContact CG-CE1 3.73Å; P68-Y590 HydrophobicContact CG-CG 4.22Å
69	Y	90.5	Very high	84.8	Confident	96 Å²	96	70 Å²	70	38%	0.376	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-43.2	-177	-67.7	-74.4	0	0	0	113.6	L67 I72 Q73 I570	L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 HydrophobicContact CB-CD2 4.28Å; L67-Y69 HydrophobicContact CB-CE2 3.87Å; L67-Y69 WeakPolarHBondContact O-CD2 3.09Å; L67-Y69 PolarHBondContact O-N 2.86Å; Y69-I72 PolarHBondContact O-N 3.45Å; Y69-Q73 PolarHBondContact O-N 2.98Å; Y69-I570 HydrophobicContact CD1-CD1 4.15Å; Y69-I570 HydrophobicContact CD1-CG1 4.27Å; Y69-I570 HydrophobicContact CD1-CG2 4.41Å; Y69-I570 HydrophobicContact CE1-CG1 4.26Å; Y69-I570 HydrophobicContact CE1-CG2 4.37Å
70	D	90	Very high	85.3	Confident	136 Å²	136	66.2 Å²	66.2	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-65.1	-40.8	-178.7	-62.8	-26.7	0	0	0	111.7	P68 Q73 M74	P68-D70 PolarHBondContact O-N 3.3Å; D70-Q73 PolarHBondContact O-N 2.99Å; D70-M74 WeakPolarHBondContact O-CB 3.36Å; D70-M74 PolarHBondContact O-N 2.84Å
71	E	92.1	Very high	86.2	Confident	71 Å²	71	66.6 Å²	66.6	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-43.7	177.7	-169.1	-178.6	170.4	0	0	110.9	P68 Q73 M74 L75 C593	P68-E71 HydrophobicContact CB-CB 4.03Å; P68-E71 PolarHBondContact O-N 2.87Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.37Å; E71-M74 WeakPolarHBondContact O-CB 3.11Å; E71-M74 PolarHBondContact O-N 3.38Å; E71-L75 HydrophobicContact CG-CD1 4.04Å; E71-L75 HydrophobicContact CG-CG 4.44Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.83Å; E71-C593 HydrophobicContact CG-CB 4.49Å
72	I	91.5	Very high	87.1	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-42.8	177.9	-66.4	163.4	0	0	0	111	P68 Y69 M74 L75 S76 I566 I570 V589 C593	P68-I72 HydrophobicContact CG-CD1 4.21Å; P68-I72 HydrophobicContact CG-CG1 4.49Å; P68-I72 WeakPolarHBondContact O-CD1 3.26Å; P68-I72 VanDerWaalsContact O-CG1 3.27Å; P68-I72 WeakPolarHBondContact O-CG1 3.36Å; P68-I72 PolarHBondContact O-N 3.42Å; Y69-I72 PolarHBondContact O-N 3.45Å; I72-M74 VanDerWaalsContact C-N 3.3Å; I72-M74 PolarHBondContact O-N 2.94Å; I72-L75 PolarHBondContact O-N 3.04Å; I72-S76 WeakPolarHBondContact O-CB 3.05Å; I72-S76 PolarHBondContact O-N 3.28Å; I72-I566 HydrophobicContact CB-CG2 4.27Å; I72-I566 HydrophobicContact CD1-CG2 3.8Å; I72-I566 HydrophobicContact CG1-CG2 3.88Å; I72-I566 HydrophobicContact CG2-CG2 3.36Å; I72-I570 HydrophobicContact CB-CD1 3.82Å; I72-I570 HydrophobicContact CD1-CD1 3.73Å; I72-I570 HydrophobicContact CD1-CG1 4.3Å; I72-I570 HydrophobicContact CG1-CD1 4.34Å; I72-I570 HydrophobicContact CG2-CD1 3.32Å; I72-V589 HydrophobicContact CD1-CG1 3.99Å; I72-C593 WeakPolarHBondContact CG1-SG 3.44Å
73	Q	89.5	Confident	88.1	Confident	148 Å²	148	62.1 Å²	62.1	69%	0.692	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-40.9	177.1	-172.5	173.3	7.9	0	0	111.2	Y69 D70 E71 S77	Y69-Q73 PolarHBondContact O-N 2.98Å; D70-Q73 PolarHBondContact O-N 2.99Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.37Å; Q73-S77 WeakPolarHBondContact O-CB 3.29Å; Q73-S77 PolarHBondContact O-N 2.78Å; Q73-S77 PolarHBondContact O-OG 3.5Å
74	M	91.1	Very high	88.8	Confident	119 Å²	119	55.3 Å²	55.3	59%	0.586	28%	0.283	S	S	*	.	H	α-helix	trans	-63.3	-44.6	174.6	-174.8	178.2	174.8	0	0	111.8	D70 E71 I72 S77 R78	D70-M74 WeakPolarHBondContact O-CB 3.36Å; D70-M74 PolarHBondContact O-N 2.84Å; E71-M74 WeakPolarHBondContact O-CB 3.11Å; E71-M74 PolarHBondContact O-N 3.38Å; I72-M74 VanDerWaalsContact C-N 3.3Å; I72-M74 PolarHBondContact O-N 2.94Å; M74-S77 PolarHBondContact O-N 3.49Å; M74-S77 PolarHBondContact O-OG 3.45Å; M74-R78 PolarHBondContact O-N 2.93Å
75	L	91.1	Very high	89.3	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-43.1	180	-72.4	171.9	0	0	0	112.8	E71 I72 S77 R78 C593 W596 L600	E71-L75 HydrophobicContact CG-CD1 4.04Å; E71-L75 HydrophobicContact CG-CG 4.44Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 2.83Å; I72-L75 PolarHBondContact O-N 3.04Å; L75-S77 PolarHBondContact O-N 2.81Å; L75-R78 WeakPolarHBondContact O-CB 3.21Å; L75-R78 PolarHBondContact O-N 2.85Å; L75-R78 VanDerWaalsContact O-N 3.11Å; L75-C593 HydrophobicContact CD1-CB 3.88Å; L75-W596 HydrophobicContact CB-CD2 4.13Å; L75-W596 HydrophobicContact CB-CE3 3.91Å; L75-W596 HydrophobicContact CB-CH2 3.96Å; L75-W596 HydrophobicContact CB-CZ2 4.18Å; L75-W596 HydrophobicContact CB-CZ3 3.83Å; L75-W596 HydrophobicContact CD1-CD2 4.23Å; L75-W596 HydrophobicContact CD1-CE3 3.9Å; L75-W596 HydrophobicContact CD1-CZ3 4.48Å; L75-W596 HydrophobicContact CG-CE3 4.49Å; L75-L600 HydrophobicContact CD2-CD1 4.14Å
76	S	86.9	Confident	89.5	Confident	25 Å²	25	52.2 Å²	52.2	18%	0.175	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-35	176	167	0	0	0	0	112	I72 R78 K563 E567	I72-S76 WeakPolarHBondContact O-CB 3.05Å; I72-S76 PolarHBondContact O-N 3.28Å; S76-R78 VanDerWaalsContact C-N 3.35Å; S76-K563 PolarHBondContact O-NZ 3.1Å; S76-K563 VanDerWaalsContact O-NZ 3.12Å; S76-K563 WeakPolarHBondContact OG-CE 3.4Å; S76-E567 WeakPolarHBondContact CB-OE1 3.17Å; S76-E567 PolarHBondContact OG-OE1 3.04Å
77	S	86.1	Confident	89.5	Confident	90 Å²	90	48.8 Å²	48.8	63%	0.629	24%	0.244	S	C	*	.	H	α-helix	trans	-77.7	-16.1	177.1	76.5	0	0	0	0	114.4	Q73 M74 L75	Q73-S77 WeakPolarHBondContact O-CB 3.29Å; Q73-S77 PolarHBondContact O-N 2.78Å; Q73-S77 PolarHBondContact O-OG 3.5Å; M74-S77 PolarHBondContact O-N 3.49Å; M74-S77 PolarHBondContact O-OG 3.45Å; L75-S77 PolarHBondContact O-N 2.81Å
78	R	87.2	Confident	89.5	Confident	92 Å²	92	48 Å²	48	35%	0.347	24%	0.24	S	C	.	.	S	Bend	trans	-74.1	129.1	179	-105.7	-179	164.8	-156.1	-4.6	109.8	M74 L75 S76 L600 D601	M74-R78 PolarHBondContact O-N 2.93Å; L75-R78 WeakPolarHBondContact O-CB 3.21Å; L75-R78 PolarHBondContact O-N 2.85Å; L75-R78 VanDerWaalsContact O-N 3.11Å; S76-R78 VanDerWaalsContact C-N 3.35Å; R78-L600 HydrophobicContact CB-CD1 4.2Å; R78-D601 IonicContact CZ-OD1 2.79Å; R78-D601 VanDerWaalsContact CZ-OD1 3.32Å; R78-D601 IonicContact NH1-OD1 2.96Å; R78-D601 PolarHBondContact NH1-OD1 2.93Å; R78-D601 IonicContact NH1-OD2 3.74Å; R78-D601 IonicContact NH2-OD1 3.32Å; R78-D601 PolarHBondContact NH2-OD1 2.94Å
79	K	84	Confident	89.2	Confident	73 Å²	73	47.4 Å²	47.4	32%	0.317	24%	0.236	S	C	.	.			trans	-74.2	150.5	171.5	-63.1	-174	-178.7	-176.7	0	110.6	E81 T118	K79-E81 PolarHBondContact O-N 2.94Å; K79-E81 VanDerWaalsContact O-N 3.15Å; K79-T118 PolarHBondContact NZ-O 3.4Å
80	I	89.6	Confident	88.9	Confident	21 Å²	21	42.8 Å²	42.8	11%	0.108	22%	0.218	C	C	.	.			trans	-76.6	101.2	173.6	-57.5	177.2	0	0	0	107.9	I82 I126 L127 V282 I556 L559 L600 L603	I80-I82 HydrophobicContact CG2-CD1 4.14Å; I80-I82 HydrophobicContact CG2-CG1 3.95Å; I80-I126 WeakPolarHBondContact O-CA 3.2Å; I80-L127 PolarHBondContact O-N 3.28Å; I80-V282 HydrophobicContact CD1-CG2 4.19Å; I80-I556 HydrophobicContact CD1-CG2 4.48Å; I80-L559 HydrophobicContact CD1-CB 4.42Å; I80-L600 HydrophobicContact CG1-CD2 4.17Å; I80-L603 HydrophobicContact CG2-CD1 3.91Å
81	E	90.7	Very high	88.3	Confident	51 Å²	51	36.4 Å²	36.4	24%	0.238	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.8	174	-60.8	-178.5	-160.8	0	0	109.7	K79 L127 L603 K604	K79-E81 PolarHBondContact O-N 2.94Å; K79-E81 VanDerWaalsContact O-N 3.15Å; E81-L127 CarbonylContact C-O 3.59Å; E81-L127 WeakPolarHBondContact CA-O 3.28Å; E81-L127 HydrophobicContact CB-CB 4.44Å; E81-L127 HydrophobicContact CB-CD2 4.4Å; E81-L127 HydrophobicContact CG-CB 4.04Å; E81-L127 HydrophobicContact CG-CD2 3.82Å; E81-L603 CarbonylContact O-C 3.22Å; E81-L603 VanDerWaalsContact O-C 3.22Å; E81-L603 VanDerWaalsContact O-CB 3.27Å; E81-L603 WeakPolarHBondContact O-CB 3.35Å; E81-K604 HydrophobicContact CB-CB 4.35Å; E81-K604 HydrophobicContact CB-CG 4.35Å; E81-K604 VanDerWaalsContact CD-NZ 3.35Å; E81-K604 WeakPolarHBondContact O-CA 3.12Å; E81-K604 PolarHBondContact O-N 3.27Å; E81-K604 IonicContact OE1-NZ 2.73Å; E81-K604 PolarHBondContact OE1-NZ 3.46Å; E81-K604 WeakPolarHBondContact OE2-CD 3.2Å; E81-K604 WeakPolarHBondContact OE2-CE 3.3Å; E81-K604 IonicContact OE2-NZ 2.97Å; E81-K604 PolarHBondContact OE2-NZ 2.79Å
82	I	91.5	Very high	87.6	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115	-176.5	-56.3	175.6	0	0	0	108.2	I80 V84 I126 L127 M128 N129 L552 I556 L603	I80-I82 HydrophobicContact CG2-CD1 4.14Å; I80-I82 HydrophobicContact CG2-CG1 3.95Å; I82-V84 HydrophobicContact CG2-CG2 4.31Å; I82-I126 HydrophobicContact CD1-CG2 3.38Å; I82-I126 HydrophobicContact CG1-CG2 3.91Å; I82-L127 PolarHBondContact N-O 2.82Å; I82-M128 HydrophobicContact CB-CE 4.21Å; I82-M128 HydrophobicContact CB-SD 3.83Å; I82-M128 HydrophobicContact CD1-SD 3.93Å; I82-M128 HydrophobicContact CG1-SD 4.36Å; I82-M128 HydrophobicContact CG2-CE 3.93Å; I82-M128 HydrophobicContact CG2-SD 4.14Å; I82-N129 PolarHBondContact O-N 3.2Å; I82-L552 HydrophobicContact CD1-CD1 3.93Å; I82-L552 HydrophobicContact CD1-CG 4.46Å; I82-L552 HydrophobicContact CG1-CD1 4.49Å; I82-L552 HydrophobicContact CG2-CD1 3.81Å; I82-L552 HydrophobicContact CG2-CD2 4.42Å; I82-I556 HydrophobicContact CD1-CD1 3.76Å; I82-I556 HydrophobicContact CD1-CG1 4.22Å; I82-L603 HydrophobicContact CG1-CD1 4.38Å; I82-L603 HydrophobicContact CG1-CD2 4.39Å
83	T	91	Very high	86.6	Confident	24 Å²	24	33.7 Å²	33.7	15%	0.147	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124	174.2	-63.2	0	0	0	0	110.1	N129 H131 L603 K604 P606 T609	T83-N129 CarbonylContact C-O 3.56Å; T83-N129 VanDerWaalsContact CA-O 3.25Å; T83-N129 WeakPolarHBondContact CA-O 3.43Å; T83-H131 HydrophobicContact CG2-CB 3.83Å; T83-L603 PolarHBondContact N-O 3.09Å; T83-K604 WeakPolarHBondContact CB-O 3.23Å; T83-K604 PolarHBondContact OG1-O 2.83Å; T83-P606 HydrophobicContact CG2-CG 4.45Å; T83-P606 WeakPolarHBondContact O-CG 3.4Å; T83-T609 HydrophobicContact CG2-CG2 4.47Å
84	V	90.7	Very high	85.9	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.4	180	177.3	0	0	0	0	108.4	I82 I86 M128 N129 Y130 H131 Y197 I273	I82-V84 HydrophobicContact CG2-CG2 4.31Å; V84-I86 HydrophobicContact CG1-CG1 4.3Å; V84-M128 HydrophobicContact CG2-CE 3.7Å; V84-N129 PolarHBondContact N-O 3.44Å; V84-Y130 HydrophobicContact CB-CD1 3.86Å; V84-Y130 HydrophobicContact CB-CE1 4.11Å; V84-Y130 HydrophobicContact CG1-CD1 4.3Å; V84-Y130 HydrophobicContact CG1-CE1 4.43Å; V84-Y130 HydrophobicContact CG2-CD1 4.35Å; V84-Y130 HydrophobicContact CG2-CE1 4.16Å; V84-H131 PolarHBondContact O-N 3.48Å; V84-Y197 HydrophobicContact CG1-CD2 3.64Å; V84-Y197 HydrophobicContact CG1-CE2 3.87Å; V84-I273 HydrophobicContact CB-CD1 4.26Å; V84-I273 HydrophobicContact CG1-CD1 3.8Å; V84-I273 HydrophobicContact CG2-CD1 3.64Å
85	P	88.4	Confident	85.2	Confident	10 Å²	10	26.3 Å²	26.3	7%	0.065	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.7	175.8	27.8	-28.2	0	0	0	110.6	V196 Y197 P606 E608 T609	P85-V196 HydrophobicContact CB-CG2 4.12Å; P85-V196 HydrophobicContact CG-CG2 4.09Å; P85-Y197 PolarHBondContact O-N 3.07Å; P85-P606 HydrophobicContact CG-CG 4.38Å; P85-E608 HydrophobicContact CG-CB 4.44Å; P85-E608 WeakPolarHBondContact CG-OE2 3.34Å; P85-T609 HydrophobicContact CB-CG2 4.28Å
86	I	89.8	Confident	84.6	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	179.8	-58.7	167.8	0	0	0	108.1	V84 V88 F107 Y130 H131 V132 N133 Y197 F199 L268	V84-I86 HydrophobicContact CG1-CG1 4.3Å; I86-V88 HydrophobicContact CG2-CG2 4.17Å; I86-F107 HydrophobicContact CD1-CE1 4.18Å; I86-Y130 HydrophobicContact CD1-CD1 3.71Å; I86-Y130 HydrophobicContact CD1-CG 4.07Å; I86-H131 PolarHBondContact N-O 2.97Å; I86-V132 HydrophobicContact CB-CG2 4.24Å; I86-V132 HydrophobicContact CD1-CG2 4.06Å; I86-V132 CarbonylContact O-C 3.47Å; I86-V132 WeakPolarHBondContact O-CA 3.43Å; I86-N133 PolarHBondContact O-N 3.18Å; I86-Y197 WeakPolarHBondContact CA-O 3.4Å; I86-F199 HydrophobicContact CG2-CD2 3.53Å; I86-F199 HydrophobicContact CG2-CE2 3.78Å; I86-L268 HydrophobicContact CD1-CD1 3.41Å; I86-L268 VanDerWaalsContact CD1-CD1 3.41Å; I86-L268 HydrophobicContact CG1-CD1 4.22Å
87	T	88.1	Confident	84.3	Confident	15 Å²	15	33.5 Å²	33.5	9%	0.092	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.4	171.1	-62.2	0	0	0	0	109.3	L89 N133 V196 Y197 H198 F199	T87-L89 HydrophobicContact CG2-CD2 3.62Å; T87-L89 HydrophobicContact CG2-CG 4.11Å; T87-N133 CarbonylContact C-O 3.5Å; T87-N133 VanDerWaalsContact CA-O 3.31Å; T87-N133 WeakPolarHBondContact CA-O 3.36Å; T87-V196 VanDerWaalsContact OG1-CG1 3.31Å; T87-V196 WeakPolarHBondContact OG1-CG1 3.45Å; T87-Y197 PolarHBondContact N-O 3.11Å; T87-H198 CarbonylContact O-C 3.56Å; T87-H198 WeakPolarHBondContact O-CA 3.43Å; T87-F199 PolarHBondContact O-N 3.05Å
88	V	88.5	Confident	84.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.1	174.8	-176.8	0	0	0	0	108.5	I86 L100 V132 N133 T134 R135 F199 L201 M264	I86-V88 HydrophobicContact CG2-CG2 4.17Å; V88-L100 HydrophobicContact CG1-CD2 4.35Å; V88-V132 HydrophobicContact CG2-CG1 3.89Å; V88-N133 PolarHBondContact N-O 3.25Å; V88-T134 HydrophobicContact CB-CG2 4.25Å; V88-T134 WeakPolarHBondContact O-CA 3.49Å; V88-R135 PolarHBondContact O-N 2.95Å; V88-F199 CarbonylContact C-O 3.35Å; V88-F199 WeakPolarHBondContact CA-O 3.3Å; V88-F199 HydrophobicContact CG2-CB 4.44Å; V88-L201 HydrophobicContact CG1-CD1 3.76Å; V88-L201 HydrophobicContact CG1-CG 4Å; V88-M264 HydrophobicContact CG1-CE 3.99Å; V88-M264 HydrophobicContact CG2-CE 4.18Å; V88-M264 HydrophobicContact CG2-SD 4.16Å
89	L	84.9	Confident	84	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.2	177.9	-56.4	179.2	0	0	0	109.1	T87 F91 R135 M137 F199 L200 L201	T87-L89 HydrophobicContact CG2-CD2 3.62Å; T87-L89 HydrophobicContact CG2-CG 4.11Å; L89-F91 HydrophobicContact CB-CD2 4.29Å; L89-F91 HydrophobicContact CB-CE2 3.78Å; L89-F91 HydrophobicContact CD1-CE2 4.42Å; L89-R135 HydrophobicContact CD2-CB 3.95Å; L89-R135 HydrophobicContact CD2-CG 4.45Å; L89-M137 HydrophobicContact CB-CG 4.1Å; L89-M137 HydrophobicContact CD2-CG 4.1Å; L89-M137 HydrophobicContact CD2-SD 3.93Å; L89-F199 PolarHBondContact N-O 3.41Å; L89-L200 HydrophobicContact CB-CG 4.2Å; L89-L200 HydrophobicContact CD1-CD1 4.36Å; L89-L200 HydrophobicContact CD1-CD2 4.48Å; L89-L200 HydrophobicContact CD1-CG 4.19Å; L89-L200 WeakPolarHBondContact O-CA 3.49Å; L89-L201 PolarHBondContact O-N 3.28Å
90	N	84.8	Confident	84	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120	179.9	-171.7	20.1	0	0	0	111.7	H92 L95 L100 R135 Q136	N90-H92 PolarHBondContact ND2-O 3.29Å; N90-H92 WeakPolarHBondContact OD1-CB 3.46Å; N90-H92 PolarHBondContact OD1-N 2.96Å; N90-H92 PolarHBondContact OD1-O 3.48Å; N90-L95 WeakPolarHBondContact ND2-CB 3.13Å; N90-L95 PolarHBondContact ND2-O 2.93Å; N90-L100 HydrophobicContact CB-CD1 3.85Å; N90-L100 HydrophobicContact CB-CD2 4.05Å; N90-L100 HydrophobicContact CB-CG 4.49Å; N90-R135 PolarHBondContact N-O 3.02Å; N90-R135 VanDerWaalsContact N-O 3.08Å; N90-Q136 VanDerWaalsContact CB-OE1 3.26Å; N90-Q136 PolarHBondContact ND2-NE2 3.45Å; N90-Q136 PolarHBondContact ND2-OE1 3.39Å
91	F	76.9	Confident	83.8	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.17	C	C	.	.			trans	-119.5	22.1	170.2	-67.1	-90	0	0	0	111.3	L89 M137 M138 I143 Y146 F161 L200 L201 L202	L89-F91 HydrophobicContact CB-CD2 4.29Å; L89-F91 HydrophobicContact CB-CE2 3.78Å; L89-F91 HydrophobicContact CD1-CE2 4.42Å; F91-M137 HydrophobicContact CE1-CB 4.06Å; F91-M137 HydrophobicContact CE1-CG 4.41Å; F91-M137 HydrophobicContact CE2-CG 4.08Å; F91-M137 HydrophobicContact CZ-CB 4.01Å; F91-M137 HydrophobicContact CZ-CE 4.03Å; F91-M137 HydrophobicContact CZ-CG 3.85Å; F91-M138 HydrophobicContact CE1-CE 4.28Å; F91-M138 HydrophobicContact CE1-SD 4.43Å; F91-I143 WeakPolarHBondContact O-CG2 3.13Å; F91-Y146 HydrophobicContact CD1-CD1 4.07Å; F91-Y146 HydrophobicContact CD1-CE1 4.09Å; F91-Y146 HydrophobicContact CE1-CE1 4.32Å; F91-F161 AromaticContact CE1-CE2 3.99Å; F91-F161 HydrophobicContact CE1-CE2 3.99Å; F91-F161 HydrophobicContact CE1-CZ 4.38Å; F91-F161 HydrophobicContact CE2-CE2 4.39Å; F91-F161 AromaticContact CE2-CZ 3.96Å; F91-F161 HydrophobicContact CE2-CZ 3.96Å; F91-F161 AromaticContact CZ-CE2 3.67Å; F91-F161 HydrophobicContact CZ-CE2 3.67Å; F91-F161 AromaticContact CZ-CZ 3.66Å; F91-F161 HydrophobicContact CZ-CZ 3.66Å; F91-L200 HydrophobicContact CD2-CB 4.41Å; F91-L200 HydrophobicContact CD2-CD2 4.12Å; F91-L200 HydrophobicContact CD2-CG 4.38Å; F91-L200 HydrophobicContact CE2-CD2 3.64Å; F91-L200 HydrophobicContact CE2-CG 4.1Å; F91-L200 HydrophobicContact CZ-CD2 4.47Å; F91-L201 CarbonylContact C-O 3.51Å; F91-L201 VanDerWaalsContact C-O 3.26Å; F91-L201 VanDerWaalsContact CA-O 3.27Å; F91-L201 WeakPolarHBondContact CA-O 3.27Å; F91-L201 VanDerWaalsContact CB-O 3.31Å; F91-L201 WeakPolarHBondContact CB-O 3.48Å; F91-L201 PolarHBondContact N-O 2.96Å; F91-L202 HydrophobicContact CB-CD2 3.68Å; F91-L202 HydrophobicContact CG-CD2 4.36Å
92	H	76.7	Confident	83.6	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.028	17%	0.173	C	C	.	.			trans	-107.5	118.3	176.5	-159.6	-67.4	0	0	0	110	N90 E94 L95 L201 P203 M249	N90-H92 PolarHBondContact ND2-O 3.29Å; N90-H92 WeakPolarHBondContact OD1-CB 3.46Å; N90-H92 PolarHBondContact OD1-N 2.96Å; N90-H92 PolarHBondContact OD1-O 3.48Å; H92-E94 IonicContact CE1-OE2 2.73Å; H92-E94 PolarHBondContact ND1-N 2.88Å; H92-E94 PolarHBondContact O-N 2.91Å; H92-L95 HydrophobicContact CB-CB 4.18Å; H92-L95 HydrophobicContact CB-CD1 3.82Å; H92-L95 HydrophobicContact CB-CG 4.08Å; H92-L95 PolarHBondContact O-N 3.02Å; H92-L201 PolarHBondContact N-O 3.36Å; H92-P203 WeakPolarHBondContact CD2-CA 3.39Å; H92-P203 WeakPolarHBondContact NE2-CB 2.96Å; H92-M249 PolarHBondContact CE1-SD 3.49Å
93	A	72	Confident	83.4	Confident	13 Å²	13	34 Å²	34	11%	0.107	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.3	-173.8	0	0	0	0	0	113.5	Q140 I143 Q144	A93-Q140 PolarHBondContact O-NE2 2.74Å; A93-I143 HydrophobicContact CB-CB 4.45Å; A93-I143 HydrophobicContact CB-CG2 4.03Å; A93-Q144 HydrophobicContact CB-CG 3.97Å
94	E	73.7	Confident	83.2	Confident	110 Å²	110	33.6 Å²	33.6	51%	0.514	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.7	-179	-52.7	-179.4	164.3	0	0	113.8	H92 M249	H92-E94 IonicContact CE1-OE2 2.73Å; H92-E94 PolarHBondContact ND1-N 2.88Å; H92-E94 PolarHBondContact O-N 2.91Å; E94-M249 HydrophobicContact CB-CE 3.68Å; E94-M249 HydrophobicContact CB-SD 3.85Å
95	L	77.7	Confident	83.1	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.193	C	C	.	.			trans	-86.6	122.5	173.8	-80.7	175.1	0	0	0	109.1	N90 H92 N99 L201 I244 L256 L260	N90-L95 WeakPolarHBondContact ND2-CB 3.13Å; N90-L95 PolarHBondContact ND2-O 2.93Å; H92-L95 HydrophobicContact CB-CB 4.18Å; H92-L95 HydrophobicContact CB-CD1 3.82Å; H92-L95 HydrophobicContact CB-CG 4.08Å; H92-L95 PolarHBondContact O-N 3.02Å; L95-N99 HydrophobicContact CD2-CB 3.78Å; L95-L201 HydrophobicContact CD1-CB 4.24Å; L95-L201 HydrophobicContact CD1-CD1 3.66Å; L95-I244 HydrophobicContact CD1-CD1 3.65Å; L95-L256 HydrophobicContact CD2-CD2 3.47Å; L95-L256 VanDerWaalsContact CD2-CD2 3.47Å; L95-L256 HydrophobicContact CD2-CG 4.29Å; L95-L260 HydrophobicContact CD1-CD1 4.35Å; L95-L260 HydrophobicContact CD2-CD1 4.48Å
96	D	78	Confident	83.1	Confident	72 Å²	72	38.6 Å²	38.6	39%	0.385	19%	0.194	S	C	.	.			trans	-94.6	171.7	177.4	72.6	9.8	0	0	0	112.6	Q98 N99 L100	D96-Q98 PolarHBondContact O-N 2.96Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.48Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.34Å; D96-Q98 PolarHBondContact OD1-N 2.79Å; D96-N99 PolarHBondContact N-OD1 3.01Å; D96-N99 PolarHBondContact O-N 3.32Å; D96-N99 VanDerWaalsContact OD1-CG 3.24Å; D96-N99 PolarHBondContact OD1-N 3.04Å; D96-N99 PolarHBondContact OD1-OD1 3.03Å; D96-L100 PolarHBondContact O-N 2.89Å
97	D	80.1	Confident	83.1	Confident	110 Å²	110	38.6 Å²	38.6	59%	0.588	19%	0.194	S	C	*	.	H	α-helix	trans	-62.4	-25.4	178.3	-67.2	-26.8	0	0	0	112.3	L100 H101	D97-L100 PolarHBondContact O-N 3.43Å; D97-H101 WeakPolarHBondContact O-CB 3.02Å; D97-H101 PolarHBondContact O-N 2.88Å
98	Q	82.8	Confident	83.2	Confident	138 Å²	138	41.6 Å²	41.6	65%	0.645	21%	0.213	S	C	*	.	H	α-helix	trans	-69.2	-42.8	176.9	-60	-171.6	-16.5	0	0	110.9	D96 L100 H101 Q102	D96-Q98 PolarHBondContact O-N 2.96Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.48Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.34Å; D96-Q98 PolarHBondContact OD1-N 2.79Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.54Å; Q98-H101 PolarHBondContact O-N 3.31Å; Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.4Å; Q98-Q102 PolarHBondContact O-N 2.83Å
99	N	83.1	Confident	83.2	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-41.1	174.7	-62	128.2	0	0	0	111.3	L95 D96 Q102 I103	L95-N99 HydrophobicContact CD2-CB 3.78Å; D96-N99 PolarHBondContact N-OD1 3.01Å; D96-N99 PolarHBondContact O-N 3.32Å; D96-N99 VanDerWaalsContact OD1-CG 3.24Å; D96-N99 PolarHBondContact OD1-N 3.04Å; D96-N99 PolarHBondContact OD1-OD1 3.03Å; N99-Q102 PolarHBondContact O-N 3.4Å; N99-I103 WeakPolarHBondContact O-CG1 3.5Å; N99-I103 PolarHBondContact O-N 3.22Å; N99-I103 VanDerWaalsContact O-N 3.11Å
100	L	84.4	Confident	83.3	Confident	3 Å²	3	48 Å²	48	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-46.1	177.3	-65.8	179.6	0	0	0	111.9	V88 N90 D96 D97 Q98 Q102 I103 G104 T134 L201	V88-L100 HydrophobicContact CG1-CD2 4.35Å; N90-L100 HydrophobicContact CB-CD1 3.85Å; N90-L100 HydrophobicContact CB-CD2 4.05Å; N90-L100 HydrophobicContact CB-CG 4.49Å; D96-L100 PolarHBondContact O-N 2.89Å; D97-L100 PolarHBondContact O-N 3.43Å; Q98-L100 VanDerWaalsContact C-N 3.29Å; Q98-L100 PolarHBondContact O-N 2.54Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 2.85Å; L100-I103 WeakPolarHBondContact O-CB 3.45Å; L100-I103 PolarHBondContact O-N 3.49Å; L100-I103 VanDerWaalsContact O-N 3.11Å; L100-G104 PolarHBondContact O-N 3.09Å; L100-G104 VanDerWaalsContact O-N 3.15Å; L100-T134 HydrophobicContact CB-CG2 4.24Å; L100-L201 HydrophobicContact CD2-CD1 4.13Å
101	H	85.3	Confident	83.4	Confident	113 Å²	113	49 Å²	49	52%	0.523	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-41.1	176.4	-166.9	-79.7	0	0	0	111.6	D97 Q98 I103 G104 E105	D97-H101 WeakPolarHBondContact O-CB 3.02Å; D97-H101 PolarHBondContact O-N 2.88Å; Q98-H101 PolarHBondContact O-N 3.31Å; H101-I103 VanDerWaalsContact C-N 3.33Å; H101-I103 PolarHBondContact O-N 3.13Å; H101-G104 PolarHBondContact O-N 3.2Å; H101-G104 VanDerWaalsContact O-N 3.16Å; H101-E105 IonicContact CE1-OE1 3.56Å; H101-E105 PolarHBondContact CE1-OE1 3.22Å; H101-E105 IonicContact ND1-OE1 2.72Å; H101-E105 PolarHBondContact ND1-OE1 3.17Å; H101-E105 PolarHBondContact O-N 3.06Å
102	Q	87	Confident	83.8	Confident	65 Å²	65	54 Å²	54	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-38.8	175.2	-75.2	176.4	7.1	0	0	112.6	Q98 N99 L100 G104 E105 I106 S257	Q98-Q102 VanDerWaalsContact O-CG 3.29Å; Q98-Q102 WeakPolarHBondContact O-CG 3.4Å; Q98-Q102 PolarHBondContact O-N 2.83Å; N99-Q102 PolarHBondContact O-N 3.4Å; L100-Q102 VanDerWaalsContact C-N 3.29Å; L100-Q102 PolarHBondContact O-N 2.85Å; Q102-G104 VanDerWaalsContact C-N 3.32Å; Q102-E105 PolarHBondContact O-N 3.28Å; Q102-I106 WeakPolarHBondContact O-CB 3.36Å; Q102-I106 VanDerWaalsContact O-CD1 3.31Å; Q102-I106 WeakPolarHBondContact O-CD1 3.35Å; Q102-I106 WeakPolarHBondContact O-CG1 3.4Å; Q102-I106 PolarHBondContact O-N 2.91Å; Q102-S257 PolarHBondContact OE1-OG 3.01Å
103	I	87.2	Confident	84.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-47.9	174.4	-68.7	167.6	0	0	0	109.5	N99 L100 H101 E105 I106 F107 L260 A261 M264	N99-I103 WeakPolarHBondContact O-CG1 3.5Å; N99-I103 PolarHBondContact O-N 3.22Å; N99-I103 VanDerWaalsContact O-N 3.11Å; L100-I103 WeakPolarHBondContact O-CB 3.45Å; L100-I103 PolarHBondContact O-N 3.49Å; L100-I103 VanDerWaalsContact O-N 3.11Å; H101-I103 VanDerWaalsContact C-N 3.33Å; H101-I103 PolarHBondContact O-N 3.13Å; I103-E105 PolarHBondContact O-N 3.04Å; I103-I106 PolarHBondContact O-N 3.48Å; I103-F107 HydrophobicContact CG2-CD2 4Å; I103-F107 HydrophobicContact CG2-CE2 4.03Å; I103-F107 WeakPolarHBondContact O-CD2 3.49Å; I103-F107 PolarHBondContact O-N 3.47Å; I103-F107 VanDerWaalsContact O-N 3.1Å; I103-L260 HydrophobicContact CD1-CB 4.24Å; I103-L260 HydrophobicContact CD1-CD1 4.21Å; I103-A261 HydrophobicContact CG2-CB 4.28Å; I103-M264 HydrophobicContact CG2-SD 4.32Å
104	G	87.6	Confident	84.4	Confident	15 Å²	15	60.2 Å²	60.2	16%	0.155	30%	0.296	C	S	.	.	H	α-helix	trans	-55.2	-50	175	0	0	0	0	0	112.5	L100 H101 Q102 I106 F107 T108	L100-G104 PolarHBondContact O-N 3.09Å; L100-G104 VanDerWaalsContact O-N 3.15Å; H101-G104 PolarHBondContact O-N 3.2Å; H101-G104 VanDerWaalsContact O-N 3.16Å; Q102-G104 VanDerWaalsContact C-N 3.32Å; G104-I106 VanDerWaalsContact C-N 3.34Å; G104-I106 PolarHBondContact O-N 3.44Å; G104-F107 PolarHBondContact O-N 3.45Å; G104-T108 WeakPolarHBondContact O-CG2 3.32Å; G104-T108 PolarHBondContact O-N 3.43Å
105	E	87.7	Confident	84.4	Confident	105 Å²	105	58.6 Å²	58.6	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-42.2	177.3	-74	-175.3	174.8	0	0	112.7	H101 Q102 I103 F107 T108 R109	H101-E105 IonicContact CE1-OE1 3.56Å; H101-E105 PolarHBondContact CE1-OE1 3.22Å; H101-E105 IonicContact ND1-OE1 2.72Å; H101-E105 PolarHBondContact ND1-OE1 3.17Å; H101-E105 PolarHBondContact O-N 3.06Å; Q102-E105 PolarHBondContact O-N 3.28Å; I103-E105 PolarHBondContact O-N 3.04Å; E105-F107 VanDerWaalsContact C-N 3.3Å; E105-F107 PolarHBondContact O-N 3.44Å; E105-T108 WeakPolarHBondContact CA-OG1 3.46Å; E105-T108 PolarHBondContact O-N 3.34Å; E105-T108 VanDerWaalsContact O-N 3.16Å; E105-T108 PolarHBondContact O-OG1 3.38Å; E105-R109 PolarHBondContact O-N 3.1Å
106	I	89.3	Confident	84.1	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-41.1	178.3	-70.5	158.1	0	0	0	110.9	Q102 I103 G104 R109 F110 K258 A261	Q102-I106 WeakPolarHBondContact O-CB 3.36Å; Q102-I106 VanDerWaalsContact O-CD1 3.31Å; Q102-I106 WeakPolarHBondContact O-CD1 3.35Å; Q102-I106 WeakPolarHBondContact O-CG1 3.4Å; Q102-I106 PolarHBondContact O-N 2.91Å; I103-I106 PolarHBondContact O-N 3.48Å; G104-I106 VanDerWaalsContact C-N 3.34Å; G104-I106 PolarHBondContact O-N 3.44Å; I106-R109 WeakPolarHBondContact O-CB 3.49Å; I106-R109 PolarHBondContact O-N 3.04Å; I106-F110 HydrophobicContact CG2-CD2 4.08Å; I106-F110 HydrophobicContact CG2-CE1 4.08Å; I106-F110 HydrophobicContact CG2-CE2 3.43Å; I106-F110 VanDerWaalsContact CG2-CE2 3.43Å; I106-F110 HydrophobicContact CG2-CZ 3.41Å; I106-F110 VanDerWaalsContact CG2-CZ 3.41Å; I106-F110 WeakPolarHBondContact O-CD2 3.5Å; I106-F110 WeakPolarHBondContact O-CG 3.46Å; I106-F110 PolarHBondContact O-N 2.91Å; I106-K258 HydrophobicContact CD1-CB 4.14Å; I106-A261 HydrophobicContact CB-CB 4.06Å; I106-A261 HydrophobicContact CD1-CB 4.26Å; I106-A261 HydrophobicContact CG2-CB 3.61Å
107	F	90.2	Very high	83.6	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-39.5	174.5	-87.9	-82.3	0	0	0	112.5	I86 I103 G104 E105 R109 F110 N111 Y130 V132 A261 M264 K265 L268	I86-F107 HydrophobicContact CD1-CE1 4.18Å; I103-F107 HydrophobicContact CG2-CD2 4Å; I103-F107 HydrophobicContact CG2-CE2 4.03Å; I103-F107 WeakPolarHBondContact O-CD2 3.49Å; I103-F107 PolarHBondContact O-N 3.47Å; I103-F107 VanDerWaalsContact O-N 3.1Å; G104-F107 PolarHBondContact O-N 3.45Å; E105-F107 VanDerWaalsContact C-N 3.3Å; E105-F107 PolarHBondContact O-N 3.44Å; F107-R109 VanDerWaalsContact C-N 3.27Å; F107-R109 PolarHBondContact O-N 3.04Å; F107-F110 HydrophobicContact CD1-CD2 4.18Å; F107-F110 HydrophobicContact CG-CD2 4.43Å; F107-F110 WeakPolarHBondContact O-CB 3.46Å; F107-F110 PolarHBondContact O-N 2.78Å; F107-F110 VanDerWaalsContact O-N 3.15Å; F107-N111 VanDerWaalsContact O-CG 3.26Å; F107-N111 PolarHBondContact O-N 3.34Å; F107-N111 PolarHBondContact O-OD1 2.87Å; F107-Y130 HydrophobicContact CD1-CD2 4.12Å; F107-Y130 HydrophobicContact CD1-CG 4.03Å; F107-Y130 HydrophobicContact CE1-CD2 4.21Å; F107-Y130 HydrophobicContact CE1-CG 4.11Å; F107-V132 HydrophobicContact CB-CG2 3.62Å; F107-V132 HydrophobicContact CD1-CG2 4.06Å; F107-V132 HydrophobicContact CD2-CG2 3.63Å; F107-V132 HydrophobicContact CE2-CG2 4.25Å; F107-V132 HydrophobicContact CG-CG2 3.5Å; F107-A261 HydrophobicContact CD2-CB 4.27Å; F107-A261 HydrophobicContact CE2-CB 4.01Å; F107-M264 HydrophobicContact CE2-CB 4.24Å; F107-M264 HydrophobicContact CE2-SD 4.21Å; F107-M264 HydrophobicContact CZ-CB 3.82Å; F107-K265 HydrophobicContact CE1-CB 4.21Å; F107-K265 HydrophobicContact CZ-CB 4.34Å; F107-L268 HydrophobicContact CE1-CD1 4.37Å
108	T	88.4	Confident	82.5	Confident	79 Å²	79	59.8 Å²	59.8	49%	0.485	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-39.1	173.5	65.7	0	0	0	0	111.8	G104 E105 N111 L112	G104-T108 WeakPolarHBondContact O-CG2 3.32Å; G104-T108 PolarHBondContact O-N 3.43Å; E105-T108 WeakPolarHBondContact CA-OG1 3.46Å; E105-T108 PolarHBondContact O-N 3.34Å; E105-T108 VanDerWaalsContact O-N 3.16Å; E105-T108 PolarHBondContact O-OG1 3.38Å; T108-N111 PolarHBondContact O-N 3.02Å; T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.95Å; T108-L112 VanDerWaalsContact O-N 3.11Å
109	R	89.9	Confident	81.4	Confident	117 Å²	117	58.7 Å²	58.7	44%	0.442	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-43	174.2	-175.6	175.8	62.4	-170.3	-7.9	111.9	E105 I106 F107 N111 L112 E113	E105-R109 PolarHBondContact O-N 3.1Å; I106-R109 WeakPolarHBondContact O-CB 3.49Å; I106-R109 PolarHBondContact O-N 3.04Å; F107-R109 VanDerWaalsContact C-N 3.27Å; F107-R109 PolarHBondContact O-N 3.04Å; R109-N111 VanDerWaalsContact C-N 3.29Å; R109-N111 PolarHBondContact O-N 3.44Å; R109-L112 PolarHBondContact O-N 3.05Å; R109-E113 HydrophobicContact CG-CG 4.36Å; R109-E113 WeakPolarHBondContact CG-OE1 3.42Å; R109-E113 IonicContact NE-OE1 2.89Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å
110	F	86.8	Confident	80.2	Confident	16 Å²	16	63 Å²	63	7%	0.07	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-41.4	175.5	-67	-31.2	0	0	0	112.4	I106 F107 E113 Q114 A261 L262 K265	I106-F110 HydrophobicContact CG2-CD2 4.08Å; I106-F110 HydrophobicContact CG2-CE1 4.08Å; I106-F110 HydrophobicContact CG2-CE2 3.43Å; I106-F110 VanDerWaalsContact CG2-CE2 3.43Å; I106-F110 HydrophobicContact CG2-CZ 3.41Å; I106-F110 VanDerWaalsContact CG2-CZ 3.41Å; I106-F110 WeakPolarHBondContact O-CD2 3.5Å; I106-F110 WeakPolarHBondContact O-CG 3.46Å; I106-F110 PolarHBondContact O-N 2.91Å; F107-F110 HydrophobicContact CD1-CD2 4.18Å; F107-F110 HydrophobicContact CG-CD2 4.43Å; F107-F110 WeakPolarHBondContact O-CB 3.46Å; F107-F110 PolarHBondContact O-N 2.78Å; F107-F110 VanDerWaalsContact O-N 3.15Å; F110-E113 PolarHBondContact O-N 3.48Å; F110-Q114 PolarHBondContact O-N 3.35Å; F110-Q114 VanDerWaalsContact O-N 3.11Å; F110-A261 HydrophobicContact CE2-CB 4.43Å; F110-L262 HydrophobicContact CE1-CD2 4.24Å; F110-L262 HydrophobicContact CE2-CD2 4.49Å; F110-L262 HydrophobicContact CZ-CD2 3.62Å; F110-L262 HydrophobicContact CZ-CG 4.2Å; F110-K265 HydrophobicContact CB-CD 4.45Å; F110-K265 HydrophobicContact CD1-CD 4.45Å; F110-K265 HydrophobicContact CD2-CD 3.53Å; F110-K265 HydrophobicContact CE2-CB 4.31Å; F110-K265 HydrophobicContact CE2-CD 3.73Å; F110-K265 HydrophobicContact CG-CD 3.92Å; F110-K265 HydrophobicContact CZ-CD 4.3Å
111	N	86.8	Confident	78.8	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-43.1	177.3	-61.7	-17.9	0	0	0	111.1	F107 T108 R109 Q114 Q115 Y130	F107-N111 VanDerWaalsContact O-CG 3.26Å; F107-N111 PolarHBondContact O-N 3.34Å; F107-N111 PolarHBondContact O-OD1 2.87Å; T108-N111 PolarHBondContact O-N 3.02Å; R109-N111 VanDerWaalsContact C-N 3.29Å; R109-N111 PolarHBondContact O-N 3.44Å; N111-Q114 PolarHBondContact O-N 2.84Å; N111-Q115 WeakPolarHBondContact O-CG 3.49Å; N111-Q115 PolarHBondContact O-N 3.04Å; N111-Y130 PolarHBondContact ND2-N 3.38Å; N111-Y130 PolarHBondContact ND2-O 3.01Å; N111-Y130 PolarHBondContact OD1-N 3.38Å
112	L	85.2	Confident	77.2	Confident	108 Å²	108	64.5 Å²	64.5	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-65.2	-42.6	177.9	-68.7	170.6	0	0	0	112.7	T108 R109 Q114 Q115 A116	T108-L112 WeakPolarHBondContact O-CG 3.27Å; T108-L112 PolarHBondContact O-N 2.95Å; T108-L112 VanDerWaalsContact O-N 3.11Å; R109-L112 PolarHBondContact O-N 3.05Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 3.17Å; L112-Q115 PolarHBondContact O-N 3.03Å; L112-A116 PolarHBondContact O-N 2.77Å
113	E	84	Confident	75.6	Confident	104 Å²	104	63 Å²	63	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-41.6	176.9	-75.1	171.9	-176.2	0	0	111.3	R109 F110 A116 F117	R109-E113 HydrophobicContact CG-CG 4.36Å; R109-E113 WeakPolarHBondContact CG-OE1 3.42Å; R109-E113 IonicContact NE-OE1 2.89Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 3.35Å; F110-E113 PolarHBondContact O-N 3.48Å; E113-A116 PolarHBondContact O-N 3.35Å; E113-F117 PolarHBondContact O-N 3.45Å; E113-F117 VanDerWaalsContact O-N 3.14Å
114	Q	76.3	Confident	74.3	Confident	45 Å²	45	67.5 Å²	67.5	21%	0.21	38%	0.376	C	S	.	.	H	α-helix	trans	-67.1	-43	177.6	-171.2	168.2	-5	0	0	111.8	F110 N111 L112 A116 F117 T118 L127 M128	F110-Q114 PolarHBondContact O-N 3.35Å; F110-Q114 VanDerWaalsContact O-N 3.11Å; N111-Q114 PolarHBondContact O-N 2.84Å; L112-Q114 VanDerWaalsContact C-N 3.3Å; L112-Q114 PolarHBondContact O-N 3.17Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 3.33Å; Q114-F117 PolarHBondContact O-N 3.44Å; Q114-T118 WeakPolarHBondContact O-CG2 3.17Å; Q114-T118 PolarHBondContact O-N 3.42Å; Q114-T118 VanDerWaalsContact O-N 3.1Å; Q114-L127 HydrophobicContact CG-CD1 4.2Å; Q114-M128 VanDerWaalsContact NE2-N 3.17Å; Q114-M128 PolarHBondContact OE1-O 3.45Å
115	Q	74.1	Confident	73.3	Confident	76 Å²	76	67 Å²	67	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-56.8	-47	174.9	-74.4	174.8	8.1	0	0	111.4	N111 L112 F117 T118 V119 L127 N129	N111-Q115 WeakPolarHBondContact O-CG 3.49Å; N111-Q115 PolarHBondContact O-N 3.04Å; L112-Q115 PolarHBondContact O-N 3.03Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 2.94Å; Q115-T118 PolarHBondContact O-N 2.62Å; Q115-T118 PolarHBondContact O-OG1 2.95Å; Q115-V119 PolarHBondContact O-N 3.11Å; Q115-L127 HydrophobicContact CB-CD1 4.17Å; Q115-L127 HydrophobicContact CG-CD1 3.51Å; Q115-L127 HydrophobicContact CG-CD2 3.65Å; Q115-L127 HydrophobicContact CG-CG 4.11Å; Q115-N129 PolarHBondContact NE2-OD1 3.19Å
116	A	71	Confident	73.1	Confident	61 Å²	61	62 Å²	62	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-59.2	-43	178.1	0	0	0	0	0	112.4	L112 E113 Q114 T118 V119	L112-A116 PolarHBondContact O-N 2.77Å; E113-A116 PolarHBondContact O-N 3.35Å; Q114-A116 VanDerWaalsContact C-N 3.33Å; Q114-A116 PolarHBondContact O-N 3.33Å; A116-T118 PolarHBondContact O-N 3.4Å; A116-V119 PolarHBondContact O-N 3.19Å
117	F	67.5	Low	73	Confident	133 Å²	133	61.5 Å²	61.5	58%	0.583	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-42.2	178.4	-172.8	-95.9	0	0	0	112.4	E113 Q114 Q115 V119 T120 D121	E113-F117 PolarHBondContact O-N 3.45Å; E113-F117 VanDerWaalsContact O-N 3.14Å; Q114-F117 PolarHBondContact O-N 3.44Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 2.94Å; F117-V119 VanDerWaalsContact C-N 3.28Å; F117-V119 PolarHBondContact O-N 3.24Å; F117-T120 PolarHBondContact O-N 2.93Å; F117-T120 VanDerWaalsContact O-N 3.15Å; F117-T120 PolarHBondContact O-OG1 2.93Å; F117-D121 PolarHBondContact O-N 3.26Å
118	T	58.8	Low	72.8	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.086	35%	0.345	C	S	.	.	H	α-helix	trans	-69	-23.1	-179.5	65.9	0	0	0	0	114.1	K79 Q114 Q115 A116 T120 L127	K79-T118 PolarHBondContact NZ-O 3.4Å; Q114-T118 WeakPolarHBondContact O-CG2 3.17Å; Q114-T118 PolarHBondContact O-N 3.42Å; Q114-T118 VanDerWaalsContact O-N 3.1Å; Q115-T118 PolarHBondContact O-N 2.62Å; Q115-T118 PolarHBondContact O-OG1 2.95Å; A116-T118 PolarHBondContact O-N 3.4Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-L127 HydrophobicContact CG2-CD1 3.99Å
119	V	59.8	Low	72.9	Confident	116 Å²	116	58.5 Å²	58.5	70%	0.703	33%	0.326	S	S	*	.	H	α-helix	trans	-71.8	-33.4	173.9	175	0	0	0	0	110.5	Q115 A116 F117	Q115-V119 PolarHBondContact O-N 3.11Å; A116-V119 PolarHBondContact O-N 3.19Å; F117-V119 VanDerWaalsContact C-N 3.28Å; F117-V119 PolarHBondContact O-N 3.24Å
120	T	58	Low	72.9	Confident	114 Å²	114	53.1 Å²	53.1	70%	0.699	31%	0.306	S	S	*	.	H	α-helix	trans	-79.9	-31.8	-177.4	53.5	0	0	0	0	114.5	F117 T118	F117-T120 PolarHBondContact O-N 2.93Å; F117-T120 VanDerWaalsContact O-N 3.15Å; F117-T120 PolarHBondContact O-OG1 2.93Å; T118-T120 VanDerWaalsContact C-N 3.33Å
121	D	54	Low	73	Confident	80 Å²	80	56.7 Å²	56.7	43%	0.428	32%	0.322	S	S	.	.	H	α-helix	trans	-85.4	-13.2	-172.5	-153.9	18.9	0	0	0	113.1	F117 S123 R283	F117-D121 PolarHBondContact O-N 3.26Å; D121-S123 PolarHBondContact O-N 2.97Å; D121-R283 IonicContact OD2-NH2 2.71Å; D121-R283 PolarHBondContact OD2-NH2 2.95Å; D121-R283 VanDerWaalsContact OD2-NH2 3.11Å
122	G	52.8	Low	73	Confident	66 Å²	66	57 Å²	57	68%	0.68	33%	0.325	S	S	*	.			trans	61	-9	180	0	0	0	0	0	115.9
123	S	52.1	Low	73	Confident	35 Å²	35	54.1 Å²	54.1	25%	0.245	31%	0.31	C	S	.	.	S	Bend	trans	-73.9	143.7	-177.6	70.7	0	0	0	0	111.4	D121 G125 R283	D121-S123 PolarHBondContact O-N 2.97Å; S123-G125 PolarHBondContact O-N 2.99Å; S123-R283 PolarHBondContact OG-NH2 3.41Å
124	D	59.3	Low	72.8	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	30%	0.3	S	S	.	.			trans	-56.5	83.2	164.9	-81.1	-6.9	0	0	0	109.3	V282 K563	D124-V282 HydrophobicContact CB-CG1 4.28Å; D124-V282 WeakPolarHBondContact O-CG1 3.45Å; D124-K563 IonicContact OD1-NZ 3.76Å; D124-K563 IonicContact OD2-NZ 3.77Å; D124-K563 PolarHBondContact OD2-NZ 2.84Å
125	G	68.1	Low	72.8	Confident	4 Å²	4	51.5 Å²	51.5	4%	0.041	30%	0.299	C	S	.	.			trans	-109.7	144.8	-173.5	0	0	0	0	0	111.5	S123	S123-G125 PolarHBondContact O-N 2.99Å
126	I	82.2	Confident	72.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.297	C	S	.	.			trans	-73.2	131.6	168.7	-55.5	177.1	0	0	0	108.5	I80 I82 M128 L278 M279 V282 I556	I80-I126 WeakPolarHBondContact O-CA 3.2Å; I82-I126 HydrophobicContact CD1-CG2 3.38Å; I82-I126 HydrophobicContact CG1-CG2 3.91Å; I126-M128 HydrophobicContact CG2-CG 4.38Å; I126-M128 HydrophobicContact CG2-SD 3.82Å; I126-L278 VanDerWaalsContact CD1-C 3.43Å; I126-L278 HydrophobicContact CD1-CB 3.66Å; I126-L278 VanDerWaalsContact CD1-O 3.31Å; I126-L278 WeakPolarHBondContact CD1-O 3.37Å; I126-M279 HydrophobicContact CB-SD 3.51Å; I126-M279 VanDerWaalsContact CB-SD 3.51Å; I126-M279 HydrophobicContact CG1-SD 4.07Å; I126-M279 PolarHBondContact N-SD 3.5Å; I126-M279 VanDerWaalsContact O-SD 3.33Å; I126-V282 HydrophobicContact CD1-CG2 3.68Å; I126-V282 HydrophobicContact CG1-CB 4.45Å; I126-V282 HydrophobicContact CG1-CG2 3.59Å; I126-I556 HydrophobicContact CD1-CD1 3.76Å; I126-I556 HydrophobicContact CD1-CG1 4.34Å; I126-I556 HydrophobicContact CD1-CG2 4.17Å
127	L	87.4	Confident	72.4	Confident	7 Å²	7	50 Å²	50	4%	0.037	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.9	170	-170.8	86.1	0	0	0	109	I80 E81 I82 Q114 Q115 T118	I80-L127 PolarHBondContact O-N 3.28Å; E81-L127 CarbonylContact C-O 3.59Å; E81-L127 WeakPolarHBondContact CA-O 3.28Å; E81-L127 HydrophobicContact CB-CB 4.44Å; E81-L127 HydrophobicContact CB-CD2 4.4Å; E81-L127 HydrophobicContact CG-CB 4.04Å; E81-L127 HydrophobicContact CG-CD2 3.82Å; I82-L127 PolarHBondContact N-O 2.82Å; Q114-L127 HydrophobicContact CG-CD1 4.2Å; Q115-L127 HydrophobicContact CB-CD1 4.17Å; Q115-L127 HydrophobicContact CG-CD1 3.51Å; Q115-L127 HydrophobicContact CG-CD2 3.65Å; Q115-L127 HydrophobicContact CG-CG 4.11Å; T118-L127 HydrophobicContact CG2-CD1 3.99Å
128	M	87.5	Confident	72.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126	173.4	-60.9	-63.5	-54.6	0	0	109.4	I82 V84 Q114 I126 I273 T275	I82-M128 HydrophobicContact CB-CE 4.21Å; I82-M128 HydrophobicContact CB-SD 3.83Å; I82-M128 HydrophobicContact CD1-SD 3.93Å; I82-M128 HydrophobicContact CG1-SD 4.36Å; I82-M128 HydrophobicContact CG2-CE 3.93Å; I82-M128 HydrophobicContact CG2-SD 4.14Å; V84-M128 HydrophobicContact CG2-CE 3.7Å; Q114-M128 VanDerWaalsContact NE2-N 3.17Å; Q114-M128 PolarHBondContact OE1-O 3.45Å; I126-M128 HydrophobicContact CG2-CG 4.38Å; I126-M128 HydrophobicContact CG2-SD 3.82Å; M128-I273 HydrophobicContact CE-CD1 4.43Å; M128-I273 HydrophobicContact CE-CG2 3.74Å; M128-T275 HydrophobicContact CE-CG2 3.94Å; M128-T275 HydrophobicContact CG-CG2 3.69Å; M128-T275 HydrophobicContact SD-CG2 4.08Å
129	N	90.2	Very high	72.5	Confident	17 Å²	17	50 Å²	50	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130	173	-66.2	-40.4	0	0	0	108.7	I82 T83 V84 Q115	I82-N129 PolarHBondContact O-N 3.2Å; T83-N129 CarbonylContact C-O 3.56Å; T83-N129 VanDerWaalsContact CA-O 3.25Å; T83-N129 WeakPolarHBondContact CA-O 3.43Å; V84-N129 PolarHBondContact N-O 3.44Å; Q115-N129 PolarHBondContact NE2-OD1 3.19Å
130	Y	89.9	Confident	72.5	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.4	175.7	-66.1	-63.2	0	0	0	109.3	V84 I86 F107 N111 L268 D269 I273	V84-Y130 HydrophobicContact CB-CD1 3.86Å; V84-Y130 HydrophobicContact CB-CE1 4.11Å; V84-Y130 HydrophobicContact CG1-CD1 4.3Å; V84-Y130 HydrophobicContact CG1-CE1 4.43Å; V84-Y130 HydrophobicContact CG2-CD1 4.35Å; V84-Y130 HydrophobicContact CG2-CE1 4.16Å; I86-Y130 HydrophobicContact CD1-CD1 3.71Å; I86-Y130 HydrophobicContact CD1-CG 4.07Å; F107-Y130 HydrophobicContact CD1-CD2 4.12Å; F107-Y130 HydrophobicContact CD1-CG 4.03Å; F107-Y130 HydrophobicContact CE1-CD2 4.21Å; F107-Y130 HydrophobicContact CE1-CG 4.11Å; N111-Y130 PolarHBondContact ND2-N 3.38Å; N111-Y130 PolarHBondContact ND2-O 3.01Å; N111-Y130 PolarHBondContact OD1-N 3.38Å; Y130-L268 HydrophobicContact CD1-CD1 4.03Å; Y130-L268 HydrophobicContact CE1-CB 4.03Å; Y130-L268 HydrophobicContact CE1-CD1 3.95Å; Y130-L268 HydrophobicContact CE1-CG 4.44Å; Y130-D269 PolarHBondContact OH-OD1 3.39Å; Y130-I273 HydrophobicContact CE1-CD1 3.93Å
131	H	88.5	Confident	72.6	Confident	90 Å²	90	51.9 Å²	51.9	42%	0.417	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.8	176.6	-177.1	73.9	0	0	0	109.5	T83 V84 I86 T609	T83-H131 HydrophobicContact CG2-CB 3.83Å; V84-H131 PolarHBondContact O-N 3.48Å; I86-H131 PolarHBondContact N-O 2.97Å; H131-T609 HydrophobicContact CB-CG2 4.39Å
132	V	86.2	Confident	73	Confident	27 Å²	27	53 Å²	53	16%	0.164	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.5	-174	-176.6	0	0	0	0	110.5	I86 V88 F107 T134	I86-V132 HydrophobicContact CB-CG2 4.24Å; I86-V132 HydrophobicContact CD1-CG2 4.06Å; I86-V132 CarbonylContact O-C 3.47Å; I86-V132 WeakPolarHBondContact O-CA 3.43Å; V88-V132 HydrophobicContact CG2-CG1 3.89Å; F107-V132 HydrophobicContact CB-CG2 3.62Å; F107-V132 HydrophobicContact CD1-CG2 4.06Å; F107-V132 HydrophobicContact CD2-CG2 3.63Å; F107-V132 HydrophobicContact CE2-CG2 4.25Å; F107-V132 HydrophobicContact CG-CG2 3.5Å; V132-T134 HydrophobicContact CG1-CG2 3.95Å
133	N	85.3	Confident	73.5	Confident	49 Å²	49	49.8 Å²	49.8	26%	0.262	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128	166.6	-166.4	-11.2	0	0	0	108.9	I86 T87 V88 R135	I86-N133 PolarHBondContact O-N 3.18Å; T87-N133 CarbonylContact C-O 3.5Å; T87-N133 VanDerWaalsContact CA-O 3.31Å; T87-N133 WeakPolarHBondContact CA-O 3.36Å; V88-N133 PolarHBondContact N-O 3.25Å; N133-R135 PolarHBondContact ND2-NH2 3.31Å
134	T	81.2	Confident	73.9	Confident	45 Å²	45	52.9 Å²	52.9	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.6	-178.6	57.6	0	0	0	0	110.5	V88 L100 V132	V88-T134 HydrophobicContact CB-CG2 4.25Å; V88-T134 WeakPolarHBondContact O-CA 3.49Å; L100-T134 HydrophobicContact CB-CG2 4.24Å; V132-T134 HydrophobicContact CG1-CG2 3.95Å
135	R	75.6	Confident	74	Confident	49 Å²	49	53 Å²	53	19%	0.185	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.1	179	-58.2	179.8	-173.6	-145.4	-14.3	111.8	V88 L89 N90 N133 N172	V88-R135 PolarHBondContact O-N 2.95Å; L89-R135 HydrophobicContact CD2-CB 3.95Å; L89-R135 HydrophobicContact CD2-CG 4.45Å; N90-R135 PolarHBondContact N-O 3.02Å; N90-R135 VanDerWaalsContact N-O 3.08Å; N133-R135 PolarHBondContact ND2-NH2 3.31Å; R135-N172 VanDerWaalsContact NH1-N 3.16Å; R135-N172 PolarHBondContact NH1-OD1 3.29Å; R135-N172 PolarHBondContact NH2-ND2 3.44Å; R135-N172 PolarHBondContact NH2-OD1 2.86Å
136	Q	72.5	Confident	73.9	Confident	67 Å²	67	54.5 Å²	54.5	31%	0.313	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117	164	-164	69.2	10.5	0	0	108.3	N90	N90-Q136 VanDerWaalsContact CB-OE1 3.26Å; N90-Q136 PolarHBondContact ND2-NE2 3.45Å; N90-Q136 PolarHBondContact ND2-OE1 3.39Å
137	M	64.2	Low	72.9	Confident	38 Å²	38	55.9 Å²	55.9	19%	0.187	28%	0.282	C	S	.	.			trans	-86.1	-31	-168.7	-79.3	-65.6	-70.1	0	0	114	L89 F91 L168 A170	L89-M137 HydrophobicContact CB-CG 4.1Å; L89-M137 HydrophobicContact CD2-CG 4.1Å; L89-M137 HydrophobicContact CD2-SD 3.93Å; F91-M137 HydrophobicContact CE1-CB 4.06Å; F91-M137 HydrophobicContact CE1-CG 4.41Å; F91-M137 HydrophobicContact CE2-CG 4.08Å; F91-M137 HydrophobicContact CZ-CB 4.01Å; F91-M137 HydrophobicContact CZ-CE 4.03Å; F91-M137 HydrophobicContact CZ-CG 3.85Å; M137-L168 HydrophobicContact CE-CB 4.23Å; M137-A170 HydrophobicContact CE-CB 3.06Å; M137-A170 HydrophobicContact SD-CB 3.94Å
138	M	65	Low	71.7	Confident	28 Å²	28	62.9 Å²	62.9	14%	0.138	31%	0.312	C	S	.	.	S	Bend	trans	-149.4	156.4	-168.5	-78.2	174.7	-170.1	0	0	110.4	F91 E142 I143 Y146 L168	F91-M138 HydrophobicContact CE1-CE 4.28Å; F91-M138 HydrophobicContact CE1-SD 4.43Å; M138-E142 HydrophobicContact CB-CB 3.97Å; M138-E142 HydrophobicContact CG-CB 4.27Å; M138-E142 HydrophobicContact SD-CB 4.28Å; M138-I143 HydrophobicContact CB-CD1 4.23Å; M138-I143 HydrophobicContact CB-CG1 3.52Å; M138-I143 WeakPolarHBondContact O-CD1 3.25Å; M138-Y146 HydrophobicContact SD-CG 4.5Å; M138-L168 HydrophobicContact CE-CD1 3.83Å; M138-L168 HydrophobicContact CE-CD2 3.38Å; M138-L168 HydrophobicContact CE-CG 4.27Å
139	N	61.9	Low	70.5	Confident	119 Å²	119	65.6 Å²	65.6	64%	0.636	33%	0.331	S	S	*	.			trans	-66	151.2	170.7	-73.1	-31.4	0	0	0	110.2	L141 E142 I143	N139-L141 PolarHBondContact O-N 3.28Å; N139-E142 PolarHBondContact N-OE2 3.36Å; N139-E142 WeakPolarHBondContact O-CB 3.32Å; N139-E142 PolarHBondContact O-N 2.73Å; N139-I143 PolarHBondContact O-N 3.15Å
140	Q	61.2	Low	69.1	Low	129 Å²	129	65.1 Å²	65.1	60%	0.603	33%	0.328	S	S	*	.	H	α-helix	trans	-49.6	-38	-176.9	-83.2	-175.1	-32.5	0	0	113.7	A93 Q144	A93-Q140 PolarHBondContact O-NE2 2.74Å; Q140-Q144 WeakPolarHBondContact O-CG 3.36Å; Q140-Q144 PolarHBondContact O-N 3.33Å; Q140-Q144 VanDerWaalsContact O-N 3.1Å
141	L	59.2	Low	67.5	Low	141 Å²	141	67.4 Å²	67.4	74%	0.738	35%	0.345	S	S	*	.	H	α-helix	trans	-67.5	-41.8	178.9	-115	124.7	0	0	0	112.8	N139 Q144 T145	N139-L141 PolarHBondContact O-N 3.28Å; L141-Q144 PolarHBondContact O-N 3.39Å; L141-T145 PolarHBondContact O-N 3.24Å; L141-T145 VanDerWaalsContact O-N 3.11Å; L141-T145 PolarHBondContact O-OG1 3.14Å
142	E	62.8	Low	66	Low	102 Å²	102	70 Å²	70	48%	0.477	36%	0.362	S	S	.	.	H	α-helix	trans	-66.6	-43.1	178.5	-74.8	173.2	172.2	0	0	110.8	M138 N139 Q144 T145 Y146	M138-E142 HydrophobicContact CB-CB 3.97Å; M138-E142 HydrophobicContact CG-CB 4.27Å; M138-E142 HydrophobicContact SD-CB 4.28Å; N139-E142 PolarHBondContact N-OE2 3.36Å; N139-E142 WeakPolarHBondContact O-CB 3.32Å; N139-E142 PolarHBondContact O-N 2.73Å; E142-Q144 VanDerWaalsContact C-N 3.3Å; E142-Q144 PolarHBondContact O-N 3.26Å; E142-T145 WeakPolarHBondContact CA-OG1 3.45Å; E142-T145 PolarHBondContact O-N 3.34Å; E142-T145 PolarHBondContact O-OG1 3.47Å; E142-Y146 VanDerWaalsContact O-CB 3.26Å; E142-Y146 WeakPolarHBondContact O-CB 3.32Å; E142-Y146 PolarHBondContact O-N 3.02Å
143	I	63.1	Low	64.8	Low	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-56.3	-45.9	173.4	-64.6	178.1	0	0	0	110.3	F91 A93 M138 N139 T145 Y146 T147	F91-I143 WeakPolarHBondContact O-CG2 3.13Å; A93-I143 HydrophobicContact CB-CB 4.45Å; A93-I143 HydrophobicContact CB-CG2 4.03Å; M138-I143 HydrophobicContact CB-CD1 4.23Å; M138-I143 HydrophobicContact CB-CG1 3.52Å; M138-I143 WeakPolarHBondContact O-CD1 3.25Å; N139-I143 PolarHBondContact O-N 3.15Å; I143-T145 PolarHBondContact O-N 3.42Å; I143-Y146 CarbonylContact O-C 3.58Å; I143-Y146 WeakPolarHBondContact O-CB 3.45Å; I143-Y146 PolarHBondContact O-N 3.44Å; I143-Y146 VanDerWaalsContact O-N 3.13Å; I143-T147 HydrophobicContact CG2-CG2 3.97Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 VanDerWaalsContact O-CG2 3.27Å; I143-T147 WeakPolarHBondContact O-CG2 3.5Å; I143-T147 PolarHBondContact O-N 3.29Å; I143-T147 PolarHBondContact O-OG1 2.87Å; I143-T147 VanDerWaalsContact O-OG1 3.05Å
144	Q	61.1	Low	63.9	Low	100 Å²	100	71 Å²	71	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-37	179.9	-75.6	179.9	-1.7	0	0	113.5	A93 Q140 L141 E142 Y146 T147 K148	A93-Q144 HydrophobicContact CB-CG 3.97Å; Q140-Q144 WeakPolarHBondContact O-CG 3.36Å; Q140-Q144 PolarHBondContact O-N 3.33Å; Q140-Q144 VanDerWaalsContact O-N 3.1Å; L141-Q144 PolarHBondContact O-N 3.39Å; E142-Q144 VanDerWaalsContact C-N 3.3Å; E142-Q144 PolarHBondContact O-N 3.26Å; Q144-Y146 VanDerWaalsContact C-N 3.33Å; Q144-T147 WeakPolarHBondContact CA-OG1 2.86Å; Q144-T147 PolarHBondContact O-OG1 2.73Å; Q144-K148 WeakPolarHBondContact O-CB 3.38Å; Q144-K148 VanDerWaalsContact O-CG 3.31Å; Q144-K148 WeakPolarHBondContact O-CG 3.29Å; Q144-K148 PolarHBondContact O-N 3.44Å; Q144-K148 VanDerWaalsContact O-N 3.16Å
145	T	62.1	Low	63	Low	97 Å²	97	73.3 Å²	73.3	60%	0.595	38%	0.376	S	S	*	.	H	α-helix	trans	-66.3	-38.6	170.8	18	0	0	0	0	111.9	L141 E142 I143 S149	L141-T145 PolarHBondContact O-N 3.24Å; L141-T145 VanDerWaalsContact O-N 3.11Å; L141-T145 PolarHBondContact O-OG1 3.14Å; E142-T145 WeakPolarHBondContact CA-OG1 3.45Å; E142-T145 PolarHBondContact O-N 3.34Å; E142-T145 PolarHBondContact O-OG1 3.47Å; I143-T145 PolarHBondContact O-N 3.42Å; T145-S149 PolarHBondContact O-N 3.32Å
146	Y	64.2	Low	62.5	Low	34 Å²	34	73.4 Å²	73.4	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-45.8	-178.4	-170.8	-103.2	0	0	0	111.7	F91 M138 E142 I143 Q144 K148 S149 F157 F161	F91-Y146 HydrophobicContact CD1-CD1 4.07Å; F91-Y146 HydrophobicContact CD1-CE1 4.09Å; F91-Y146 HydrophobicContact CE1-CE1 4.32Å; M138-Y146 HydrophobicContact SD-CG 4.5Å; E142-Y146 VanDerWaalsContact O-CB 3.26Å; E142-Y146 WeakPolarHBondContact O-CB 3.32Å; E142-Y146 PolarHBondContact O-N 3.02Å; I143-Y146 CarbonylContact O-C 3.58Å; I143-Y146 WeakPolarHBondContact O-CB 3.45Å; I143-Y146 PolarHBondContact O-N 3.44Å; I143-Y146 VanDerWaalsContact O-N 3.13Å; Q144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.12Å; Y146-S149 WeakPolarHBondContact O-CB 3.06Å; Y146-S149 PolarHBondContact O-N 3.44Å; Y146-S149 PolarHBondContact O-OG 2.84Å; Y146-F157 HydrophobicContact CD1-CE2 4.2Å; Y146-F157 AromaticContact CE1-CE2 3.39Å; Y146-F157 HydrophobicContact CE1-CE2 3.39Å; Y146-F157 AromaticContact CE1-CZ 3.5Å; Y146-F157 HydrophobicContact CE1-CZ 3.5Å; Y146-F157 HydrophobicContact CE2-CE2 4.18Å; Y146-F157 AromaticContact CZ-CE2 3.31Å; Y146-F157 AromaticContact CZ-CZ 3.65Å; Y146-F157 WeakPolarHBondContact OH-CE2 3.19Å; Y146-F157 WeakPolarHBondContact OH-CZ 3.36Å; Y146-F161 HydrophobicContact CE1-CD2 4.32Å; Y146-F161 HydrophobicContact CE1-CE2 4.47Å; Y146-F161 HydrophobicContact CE2-CD2 4.47Å; Y146-F161 AromaticContact CZ-CD2 3.64Å; Y146-F161 VanDerWaalsContact OH-CB 3.23Å; Y146-F161 WeakPolarHBondContact OH-CB 3.3Å; Y146-F161 WeakPolarHBondContact OH-CD2 3.3Å; Y146-F161 WeakPolarHBondContact OH-CG 3.14Å
147	T	62.1	Low	62.3	Low	29 Å²	29	70.7 Å²	70.7	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-67.7	-31.5	176.5	57.8	0	0	0	0	112.1	I143 Q144 S149 L150 P203	I143-T147 HydrophobicContact CG2-CG2 3.97Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 VanDerWaalsContact O-CG2 3.27Å; I143-T147 WeakPolarHBondContact O-CG2 3.5Å; I143-T147 PolarHBondContact O-N 3.29Å; I143-T147 PolarHBondContact O-OG1 2.87Å; I143-T147 VanDerWaalsContact O-OG1 3.05Å; Q144-T147 WeakPolarHBondContact CA-OG1 2.86Å; Q144-T147 PolarHBondContact O-OG1 2.73Å; T147-S149 PolarHBondContact O-N 3.1Å; T147-L150 WeakPolarHBondContact O-CB 3.41Å; T147-L150 PolarHBondContact O-N 2.74Å; T147-L150 VanDerWaalsContact O-N 3.13Å; T147-P203 HydrophobicContact CG2-CG 3.49Å; T147-P203 VanDerWaalsContact CG2-CG 3.49Å
148	K	63.1	Low	62.5	Low	155 Å²	155	69 Å²	69	67%	0.674	36%	0.363	S	S	*	.	H	α-helix	trans	-63.6	-25	169.6	-83.4	177.9	179.4	176.1	0	113.8	Q144 Y146 L150 S151	Q144-K148 WeakPolarHBondContact O-CB 3.38Å; Q144-K148 VanDerWaalsContact O-CG 3.31Å; Q144-K148 WeakPolarHBondContact O-CG 3.29Å; Q144-K148 PolarHBondContact O-N 3.44Å; Q144-K148 VanDerWaalsContact O-N 3.16Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.12Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-S151 PolarHBondContact O-OG 3.21Å
149	S	61	Low	62.6	Low	58 Å²	58	72.2 Å²	72.2	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-74.9	-23.6	174.4	79.6	0	0	0	0	112.9	T145 Y146 T147 S151	T145-S149 PolarHBondContact O-N 3.32Å; Y146-S149 WeakPolarHBondContact O-CB 3.06Å; Y146-S149 PolarHBondContact O-N 3.44Å; Y146-S149 PolarHBondContact O-OG 2.84Å; T147-S149 PolarHBondContact O-N 3.1Å; S149-S151 VanDerWaalsContact C-N 3.28Å; S149-S151 PolarHBondContact O-N 2.92Å
150	L	60.3	Low	62.8	Low	6 Å²	6	70.1 Å²	70.1	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-29.8	-179.6	-164.5	83.7	0	0	0	112.6	T147 K148 N152 F157 I207 F243	T147-L150 WeakPolarHBondContact O-CB 3.41Å; T147-L150 PolarHBondContact O-N 2.74Å; T147-L150 VanDerWaalsContact O-N 3.13Å; K148-L150 VanDerWaalsContact C-N 3.32Å; L150-N152 VanDerWaalsContact C-N 3.26Å; L150-N152 PolarHBondContact O-N 2.55Å; L150-F157 HydrophobicContact CB-CD2 4.37Å; L150-F157 HydrophobicContact CB-CE2 4.46Å; L150-F157 HydrophobicContact CD1-CB 4.3Å; L150-F157 HydrophobicContact CD1-CD1 3.37Å; L150-F157 HydrophobicContact CD1-CD2 3.51Å; L150-F157 HydrophobicContact CD1-CE1 3.36Å; L150-F157 HydrophobicContact CD1-CE2 3.45Å; L150-F157 VanDerWaalsContact CD1-CE2 3.45Å; L150-F157 HydrophobicContact CD1-CG 3.45Å; L150-F157 VanDerWaalsContact CD1-CG 3.45Å; L150-F157 HydrophobicContact CD1-CZ 3.39Å; L150-I207 HydrophobicContact CD2-CD1 3.9Å; L150-I207 HydrophobicContact CD2-CG1 4.12Å; L150-F243 HydrophobicContact CD2-CE1 4.33Å
151	S	56.5	Low	63.1	Low	53 Å²	53	64 Å²	64	37%	0.371	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.5	-169.3	66.4	0	0	0	0	115.1	K148 S149	K148-S151 PolarHBondContact O-OG 3.21Å; S149-S151 VanDerWaalsContact C-N 3.28Å; S149-S151 PolarHBondContact O-N 2.92Å
152	N	56.8	Low	63.4	Low	143 Å²	143	59.7 Å²	59.7	77%	0.765	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-41.2	-169.8	-69.2	-12.4	0	0	0	113.6	L150	L150-N152 VanDerWaalsContact C-N 3.26Å; L150-N152 PolarHBondContact O-N 2.55Å
153	D	62.5	Low	63.5	Low	80 Å²	80	58.9 Å²	58.9	43%	0.428	32%	0.319	S	S	.	.			trans	-161.7	109.2	175.9	173.5	17.9	0	0	0	110.6	L155 S156 F157	D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 3.28Å; D153-L155 WeakPolarHBondContact OD1-CB 3.38Å; D153-L155 PolarHBondContact OD1-N 3.15Å; D153-S156 WeakPolarHBondContact CB-OG 3.36Å; D153-S156 PolarHBondContact O-N 2.88Å; D153-S156 PolarHBondContact O-OG 3.44Å; D153-S156 VanDerWaalsContact OD2-CB 3.22Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-N 3.02Å; D153-S156 PolarHBondContact OD2-OG 3.06Å; D153-F157 PolarHBondContact O-N 3.35Å
154	I	64.8	Low	63.5	Low	19 Å²	19	62.1 Å²	62.1	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-32.8	-179.3	-83.4	158.6	0	0	0	112.7	F157 W158 I207 L210	I154-F157 WeakPolarHBondContact O-CB 3.44Å; I154-F157 PolarHBondContact O-N 2.92Å; I154-W158 HydrophobicContact CG2-CD2 4.49Å; I154-W158 HydrophobicContact CG2-CG 4.49Å; I154-W158 HydrophobicContact CG2-CZ2 4.16Å; I154-W158 VanDerWaalsContact O-CG 3.24Å; I154-W158 PolarHBondContact O-N 2.71Å; I154-I207 HydrophobicContact CD1-CG2 3.58Å; I154-L210 HydrophobicContact CD1-CB 4.02Å; I154-L210 HydrophobicContact CD1-CD1 3.51Å; I154-L210 HydrophobicContact CD1-CG 3.68Å
155	L	63.2	Low	63.5	Low	92 Å²	92	57.6 Å²	57.6	48%	0.482	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-46.8	-179.5	-173.8	71.4	0	0	0	110.6	D153 F157 W158 L159	D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 3.28Å; D153-L155 WeakPolarHBondContact OD1-CB 3.38Å; D153-L155 PolarHBondContact OD1-N 3.15Å; L155-F157 VanDerWaalsContact C-N 3.27Å; L155-F157 PolarHBondContact O-N 3.5Å; L155-W158 PolarHBondContact O-N 3.38Å; L155-L159 HydrophobicContact CG-CD1 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.42Å; L155-L159 PolarHBondContact O-N 3.25Å; L155-L159 VanDerWaalsContact O-N 3.09Å
156	S	64.3	Low	63.1	Low	51 Å²	51	55.3 Å²	55.3	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-37.3	173.8	71.8	0	0	0	0	111.6	D153 L159 T160	D153-S156 WeakPolarHBondContact CB-OG 3.36Å; D153-S156 PolarHBondContact O-N 2.88Å; D153-S156 PolarHBondContact O-OG 3.44Å; D153-S156 VanDerWaalsContact OD2-CB 3.22Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-N 3.02Å; D153-S156 PolarHBondContact OD2-OG 3.06Å; S156-L159 PolarHBondContact O-N 3.3Å; S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 3.37Å; S156-T160 PolarHBondContact O-N 3Å; S156-T160 PolarHBondContact O-OG1 3.4Å
157	F	68.9	Low	62.3	Low	11 Å²	11	57.5 Å²	57.5	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-50.5	173.4	173.2	-91.5	0	0	0	111.5	Y146 L150 D153 I154 L155 L159 T160 F161	Y146-F157 HydrophobicContact CD1-CE2 4.2Å; Y146-F157 AromaticContact CE1-CE2 3.39Å; Y146-F157 HydrophobicContact CE1-CE2 3.39Å; Y146-F157 AromaticContact CE1-CZ 3.5Å; Y146-F157 HydrophobicContact CE1-CZ 3.5Å; Y146-F157 HydrophobicContact CE2-CE2 4.18Å; Y146-F157 AromaticContact CZ-CE2 3.31Å; Y146-F157 AromaticContact CZ-CZ 3.65Å; Y146-F157 WeakPolarHBondContact OH-CE2 3.19Å; Y146-F157 WeakPolarHBondContact OH-CZ 3.36Å; L150-F157 HydrophobicContact CB-CD2 4.37Å; L150-F157 HydrophobicContact CB-CE2 4.46Å; L150-F157 HydrophobicContact CD1-CB 4.3Å; L150-F157 HydrophobicContact CD1-CD1 3.37Å; L150-F157 HydrophobicContact CD1-CD2 3.51Å; L150-F157 HydrophobicContact CD1-CE1 3.36Å; L150-F157 HydrophobicContact CD1-CE2 3.45Å; L150-F157 VanDerWaalsContact CD1-CE2 3.45Å; L150-F157 HydrophobicContact CD1-CG 3.45Å; L150-F157 VanDerWaalsContact CD1-CG 3.45Å; L150-F157 HydrophobicContact CD1-CZ 3.39Å; D153-F157 PolarHBondContact O-N 3.35Å; I154-F157 WeakPolarHBondContact O-CB 3.44Å; I154-F157 PolarHBondContact O-N 2.92Å; L155-F157 VanDerWaalsContact C-N 3.27Å; L155-F157 PolarHBondContact O-N 3.5Å; F157-L159 PolarHBondContact O-N 2.75Å; F157-T160 PolarHBondContact O-N 2.72Å; F157-F161 HydrophobicContact CE1-CB 4.32Å; F157-F161 HydrophobicContact CZ-CB 4.45Å; F157-F161 WeakPolarHBondContact O-CB 3.36Å; F157-F161 PolarHBondContact O-N 3.46Å
158	W	68.7	Low	61.6	Low	2 Å²	2	58.8 Å²	58.8	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-50.2	178.9	-65.5	135	0	0	0	111.7	I154 L155 T160 F161 E162 L202 I230 Y241 F243	I154-W158 HydrophobicContact CG2-CD2 4.49Å; I154-W158 HydrophobicContact CG2-CG 4.49Å; I154-W158 HydrophobicContact CG2-CZ2 4.16Å; I154-W158 VanDerWaalsContact O-CG 3.24Å; I154-W158 PolarHBondContact O-N 2.71Å; L155-W158 PolarHBondContact O-N 3.38Å; W158-T160 VanDerWaalsContact C-N 3.33Å; W158-T160 PolarHBondContact O-N 2.89Å; W158-F161 PolarHBondContact O-N 2.85Å; W158-E162 WeakPolarHBondContact O-CB 3.41Å; W158-E162 VanDerWaalsContact O-CG 3.28Å; W158-E162 WeakPolarHBondContact O-CG 3.49Å; W158-E162 PolarHBondContact O-N 2.86Å; W158-L202 HydrophobicContact CH2-CD1 4.43Å; W158-L202 HydrophobicContact CZ3-CD1 4.44Å; W158-I230 HydrophobicContact CZ2-CD1 4.17Å; W158-Y241 HydrophobicContact CD2-CE2 4.03Å; W158-Y241 HydrophobicContact CE3-CD1 4.47Å; W158-Y241 HydrophobicContact CE3-CD2 4.07Å; W158-Y241 AromaticContact CE3-CE1 3.83Å; W158-Y241 HydrophobicContact CE3-CE1 3.83Å; W158-Y241 AromaticContact CE3-CE2 3.3Å; W158-Y241 HydrophobicContact CE3-CE2 3.3Å; W158-Y241 AromaticContact CE3-CZ 3.17Å; W158-Y241 AromaticContact CH2-CD1 3.64Å; W158-Y241 HydrophobicContact CH2-CD1 3.64Å; W158-Y241 AromaticContact CH2-CD2 3.15Å; W158-Y241 HydrophobicContact CH2-CD2 3.15Å; W158-Y241 AromaticContact CH2-CE1 3.85Å; W158-Y241 HydrophobicContact CH2-CE1 3.85Å; W158-Y241 AromaticContact CH2-CE2 3.34Å; W158-Y241 HydrophobicContact CH2-CE2 3.34Å; W158-Y241 AromaticContact CH2-CG 3.28Å; W158-Y241 HydrophobicContact CH2-CG 3.28Å; W158-Y241 AromaticContact CH2-CZ 3.7Å; W158-Y241 AromaticContact CZ2-CD2 3.88Å; W158-Y241 HydrophobicContact CZ2-CD2 3.88Å; W158-Y241 HydrophobicContact CZ2-CE2 4.04Å; W158-Y241 HydrophobicContact CZ2-CG 4.33Å; W158-Y241 AromaticContact CZ3-CD1 3.39Å; W158-Y241 HydrophobicContact CZ3-CD1 3.39Å; W158-Y241 AromaticContact CZ3-CD2 3.34Å; W158-Y241 HydrophobicContact CZ3-CD2 3.34Å; W158-Y241 AromaticContact CZ3-CE1 3.1Å; W158-Y241 HydrophobicContact CZ3-CE1 3.1Å; W158-Y241 AromaticContact CZ3-CE2 2.98Å; W158-Y241 HydrophobicContact CZ3-CE2 2.98Å; W158-Y241 AromaticContact CZ3-CG 3.5Å; W158-Y241 HydrophobicContact CZ3-CG 3.5Å; W158-Y241 VanDerWaalsContact CZ3-CG 3.5Å; W158-Y241 AromaticContact CZ3-CZ 2.87Å; W158-Y241 WeakPolarHBondContact CZ3-OH 3.48Å; W158-F243 HydrophobicContact CH2-CE2 4.26Å; W158-F243 AromaticContact CH2-CZ 3.75Å; W158-F243 HydrophobicContact CH2-CZ 3.75Å; W158-F243 HydrophobicContact CZ2-CZ 4.12Å
159	L	66	Low	61	Low	96 Å²	96	56.9 Å²	56.9	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-41.2	-179.3	-71.1	169.1	0	0	0	111.9	L155 S156 F157 N163	L155-L159 HydrophobicContact CG-CD1 4.45Å; L155-L159 WeakPolarHBondContact O-CG 3.42Å; L155-L159 PolarHBondContact O-N 3.25Å; L155-L159 VanDerWaalsContact O-N 3.09Å; S156-L159 PolarHBondContact O-N 3.3Å; F157-L159 PolarHBondContact O-N 2.75Å; L159-N163 WeakPolarHBondContact O-CB 3.49Å; L159-N163 PolarHBondContact O-N 3.33Å; L159-N163 PolarHBondContact O-ND2 3.48Å
160	T	66.5	Low	60.5	Low	74 Å²	74	54.2 Å²	54.2	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-71.2	-40.1	179.9	-51	0	0	0	0	111	S156 F157 W158 N163 N164	S156-T160 VanDerWaalsContact O-CB 3.24Å; S156-T160 WeakPolarHBondContact O-CB 3.37Å; S156-T160 PolarHBondContact O-N 3Å; S156-T160 PolarHBondContact O-OG1 3.4Å; F157-T160 PolarHBondContact O-N 2.72Å; W158-T160 VanDerWaalsContact C-N 3.33Å; W158-T160 PolarHBondContact O-N 2.89Å; T160-N163 PolarHBondContact O-N 3.05Å; T160-N164 VanDerWaalsContact O-CB 3.3Å; T160-N164 WeakPolarHBondContact O-CB 3.28Å; T160-N164 PolarHBondContact O-N 3.31Å; T160-N164 PolarHBondContact O-ND2 3.48Å
161	F	68.3	Low	60.1	Low	2 Å²	2	54.3 Å²	54.3	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-69.4	-45	178.1	-178.3	-115.9	0	0	0	112.5	F91 Y146 F157 W158 N163 N164 L165 L168 L200 Y241	F91-F161 AromaticContact CE1-CE2 3.99Å; F91-F161 HydrophobicContact CE1-CE2 3.99Å; F91-F161 HydrophobicContact CE1-CZ 4.38Å; F91-F161 HydrophobicContact CE2-CE2 4.39Å; F91-F161 AromaticContact CE2-CZ 3.96Å; F91-F161 HydrophobicContact CE2-CZ 3.96Å; F91-F161 AromaticContact CZ-CE2 3.67Å; F91-F161 HydrophobicContact CZ-CE2 3.67Å; F91-F161 AromaticContact CZ-CZ 3.66Å; F91-F161 HydrophobicContact CZ-CZ 3.66Å; Y146-F161 HydrophobicContact CE1-CD2 4.32Å; Y146-F161 HydrophobicContact CE1-CE2 4.47Å; Y146-F161 HydrophobicContact CE2-CD2 4.47Å; Y146-F161 AromaticContact CZ-CD2 3.64Å; Y146-F161 VanDerWaalsContact OH-CB 3.23Å; Y146-F161 WeakPolarHBondContact OH-CB 3.3Å; Y146-F161 WeakPolarHBondContact OH-CD2 3.3Å; Y146-F161 WeakPolarHBondContact OH-CG 3.14Å; F157-F161 HydrophobicContact CE1-CB 4.32Å; F157-F161 HydrophobicContact CZ-CB 4.45Å; F157-F161 WeakPolarHBondContact O-CB 3.36Å; F157-F161 PolarHBondContact O-N 3.46Å; W158-F161 PolarHBondContact O-N 2.85Å; F161-N163 PolarHBondContact O-N 3.37Å; F161-N164 CarbonylContact O-C 3.42Å; F161-N164 PolarHBondContact O-N 3.27Å; F161-L165 HydrophobicContact CD1-CD1 3.63Å; F161-L165 HydrophobicContact CD1-CG 4.05Å; F161-L165 HydrophobicContact CD2-CG 4.38Å; F161-L165 HydrophobicContact CE1-CD1 3.26Å; F161-L165 HydrophobicContact CE1-CD2 4.11Å; F161-L165 HydrophobicContact CE1-CG 3.58Å; F161-L165 HydrophobicContact CE2-CD2 4.4Å; F161-L165 HydrophobicContact CE2-CG 4.04Å; F161-L165 HydrophobicContact CG-CD1 4.45Å; F161-L165 HydrophobicContact CG-CG 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.84Å; F161-L165 HydrophobicContact CZ-CD2 3.8Å; F161-L165 HydrophobicContact CZ-CG 3.61Å; F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 PolarHBondContact O-N 3.48Å; F161-L168 HydrophobicContact CD2-CD1 4.46Å; F161-L168 HydrophobicContact CE2-CD1 4.16Å; F161-L200 HydrophobicContact CD1-CD2 4.43Å; F161-L200 HydrophobicContact CE1-CD2 3.2Å; F161-L200 HydrophobicContact CZ-CD2 3.27Å; F161-Y241 HydrophobicContact CD1-CE1 4.27Å; F161-Y241 WeakPolarHBondContact CD1-OH 3.39Å; F161-Y241 HydrophobicContact CE1-CE1 4.08Å
162	E	65.4	Low	59.4	Low	49 Å²	49	54.7 Å²	54.7	23%	0.229	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-36.8	176.4	-73.8	173.3	-174.9	0	0	111.1	W158 R232	W158-E162 WeakPolarHBondContact O-CB 3.41Å; W158-E162 VanDerWaalsContact O-CG 3.28Å; W158-E162 WeakPolarHBondContact O-CG 3.49Å; W158-E162 PolarHBondContact O-N 2.86Å; E162-R232 IonicContact OE1-CZ 2.72Å; E162-R232 VanDerWaalsContact OE1-CZ 3.26Å; E162-R232 IonicContact OE1-NE 3.98Å; E162-R232 PolarHBondContact OE1-NE 3.39Å; E162-R232 IonicContact OE1-NH2 3.23Å; E162-R232 PolarHBondContact OE1-NH2 2.95Å; E162-R232 IonicContact OE2-NH2 3.57Å; E162-R232 PolarHBondContact OE2-NH2 3.01Å
163	N	64.7	Low	58.3	Low	86 Å²	86	55.1 Å²	55.1	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-43	171.7	-72.7	-27.8	0	0	0	112.2	L159 T160 F161 S166	L159-N163 WeakPolarHBondContact O-CB 3.49Å; L159-N163 PolarHBondContact O-N 3.33Å; L159-N163 PolarHBondContact O-ND2 3.48Å; T160-N163 PolarHBondContact O-N 3.05Å; F161-N163 PolarHBondContact O-N 3.37Å; N163-S166 PolarHBondContact O-OG 2.71Å
164	N	63	Low	57.2	Low	67 Å²	67	55 Å²	55	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-77.4	-17.6	-179.5	-72.1	-19.3	0	0	0	114.1	T160 F161 S166 S167 L168	T160-N164 VanDerWaalsContact O-CB 3.3Å; T160-N164 WeakPolarHBondContact O-CB 3.28Å; T160-N164 PolarHBondContact O-N 3.31Å; T160-N164 PolarHBondContact O-ND2 3.48Å; F161-N164 CarbonylContact O-C 3.42Å; F161-N164 PolarHBondContact O-N 3.27Å; N164-S166 PolarHBondContact O-N 3.39Å; N164-S167 WeakPolarHBondContact CA-OG 3.26Å; N164-S167 CarbonylContact O-C 3.55Å; N164-S167 PolarHBondContact O-N 3.5Å; N164-S167 PolarHBondContact O-OG 3.29Å; N164-L168 HydrophobicContact CB-CD1 4.23Å; N164-L168 WeakPolarHBondContact O-CB 3.43Å; N164-L168 VanDerWaalsContact O-CG 3.29Å; N164-L168 WeakPolarHBondContact O-CG 3.5Å; N164-L168 PolarHBondContact O-N 3.05Å
165	L	61.4	Low	55.9	Low	5 Å²	5	56.2 Å²	56.2	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-32.3	175.3	-105.7	167.6	0	0	0	111	F161 A170 F171 L239	F161-L165 HydrophobicContact CD1-CD1 3.63Å; F161-L165 HydrophobicContact CD1-CG 4.05Å; F161-L165 HydrophobicContact CD2-CG 4.38Å; F161-L165 HydrophobicContact CE1-CD1 3.26Å; F161-L165 HydrophobicContact CE1-CD2 4.11Å; F161-L165 HydrophobicContact CE1-CG 3.58Å; F161-L165 HydrophobicContact CE2-CD2 4.4Å; F161-L165 HydrophobicContact CE2-CG 4.04Å; F161-L165 HydrophobicContact CG-CD1 4.45Å; F161-L165 HydrophobicContact CG-CG 4.47Å; F161-L165 HydrophobicContact CZ-CD1 3.84Å; F161-L165 HydrophobicContact CZ-CD2 3.8Å; F161-L165 HydrophobicContact CZ-CG 3.61Å; F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 PolarHBondContact O-N 3.48Å; L165-A170 HydrophobicContact CD2-CB 3.67Å; L165-F171 HydrophobicContact CB-CE2 3.87Å; L165-F171 HydrophobicContact CB-CZ 4.47Å; L165-F171 HydrophobicContact CD1-CE2 4.36Å; L165-F171 HydrophobicContact CD1-CZ 4.14Å; L165-F171 HydrophobicContact CD2-CD2 4.16Å; L165-F171 HydrophobicContact CD2-CE1 4.23Å; L165-F171 HydrophobicContact CD2-CE2 3.23Å; L165-F171 HydrophobicContact CD2-CZ 3.28Å; L165-F171 HydrophobicContact CG-CE2 3.98Å; L165-F171 HydrophobicContact CG-CZ 4.14Å; L165-L239 HydrophobicContact CD1-CD1 3.84Å
166	S	53.4	Low	54.5	Low	50 Å²	50	53.6 Å²	53.6	35%	0.35	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.3	173	71.4	0	0	0	0	113.9	N163 N164	N163-S166 PolarHBondContact O-OG 2.71Å; N164-S166 PolarHBondContact O-N 3.39Å
167	S	47.7	Very low	53.1	Low	80 Å²	80	55.9 Å²	55.9	56%	0.559	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-22.6	-179.4	64.5	0	0	0	0	113.3	N164 N169	N164-S167 WeakPolarHBondContact CA-OG 3.26Å; N164-S167 CarbonylContact O-C 3.55Å; N164-S167 PolarHBondContact O-N 3.5Å; N164-S167 PolarHBondContact O-OG 3.29Å; S167-N169 VanDerWaalsContact C-N 3.27Å; S167-N169 PolarHBondContact O-N 3.43Å
168	L	47.6	Very low	51.3	Low	56 Å²	56	64.7 Å²	64.7	29%	0.293	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.4	-174.1	-79.8	168.9	0	0	0	115.1	M137 M138 F161 N164 A170	M137-L168 HydrophobicContact CE-CB 4.23Å; M138-L168 HydrophobicContact CE-CD1 3.83Å; M138-L168 HydrophobicContact CE-CD2 3.38Å; M138-L168 HydrophobicContact CE-CG 4.27Å; F161-L168 HydrophobicContact CD2-CD1 4.46Å; F161-L168 HydrophobicContact CE2-CD1 4.16Å; N164-L168 HydrophobicContact CB-CD1 4.23Å; N164-L168 WeakPolarHBondContact O-CB 3.43Å; N164-L168 VanDerWaalsContact O-CG 3.29Å; N164-L168 WeakPolarHBondContact O-CG 3.5Å; N164-L168 PolarHBondContact O-N 3.05Å; L168-A170 HydrophobicContact CB-CB 4.26Å; L168-A170 PolarHBondContact O-N 3.14Å
169	N	50.5	Low	49.6	Very low	115 Å²	115	69.4 Å²	69.4	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	26.2	-170.4	-72.4	-18.1	0	0	0	112.7	S167 F171	S167-N169 VanDerWaalsContact C-N 3.27Å; S167-N169 PolarHBondContact O-N 3.43Å; N169-F171 CarbonylContact C-O 3.58Å; N169-F171 PolarHBondContact O-N 2.85Å
170	A	49.8	Very low	47.9	Very low	1 Å²	1	70.3 Å²	70.3	1%	0.008	38%	0.381	C	S	.	.			trans	-62	-40	-172.2	0	0	0	0	0	111.6	M137 L165 L168	M137-A170 HydrophobicContact CE-CB 3.06Å; M137-A170 HydrophobicContact SD-CB 3.94Å; L165-A170 HydrophobicContact CD2-CB 3.67Å; L168-A170 HydrophobicContact CB-CB 4.26Å; L168-A170 PolarHBondContact O-N 3.14Å
171	F	51.1	Low	46.2	Very low	8 Å²	8	75 Å²	75	4%	0.035	40%	0.398	C	S	.	.	S	Bend	trans	-89.5	141.6	175	-49.5	-74	0	0	0	108.1	L165 N169 I173 D175 T176 H198 L237	L165-F171 HydrophobicContact CB-CE2 3.87Å; L165-F171 HydrophobicContact CB-CZ 4.47Å; L165-F171 HydrophobicContact CD1-CE2 4.36Å; L165-F171 HydrophobicContact CD1-CZ 4.14Å; L165-F171 HydrophobicContact CD2-CD2 4.16Å; L165-F171 HydrophobicContact CD2-CE1 4.23Å; L165-F171 HydrophobicContact CD2-CE2 3.23Å; L165-F171 HydrophobicContact CD2-CZ 3.28Å; L165-F171 HydrophobicContact CG-CE2 3.98Å; L165-F171 HydrophobicContact CG-CZ 4.14Å; N169-F171 CarbonylContact C-O 3.58Å; N169-F171 PolarHBondContact O-N 2.85Å; F171-I173 PolarHBondContact O-N 3.42Å; F171-D175 HydrophobicContact CB-CB 3.76Å; F171-D175 HydrophobicContact CG-CB 4.36Å; F171-T176 HydrophobicContact CB-CG2 4.24Å; F171-T176 HydrophobicContact CD2-CG2 4.12Å; F171-H198 AromaticContact CD1-CD2 3.56Å; F171-H198 AromaticContact CD1-CE1 3.83Å; F171-H198 AromaticContact CD1-NE2 3.24Å; F171-H198 WeakPolarHBondContact CD1-NE2 3.5Å; F171-H198 HydrophobicContact CE1-CB 4.5Å; F171-H198 AromaticContact CE1-CD2 3.35Å; F171-H198 WeakPolarHBondContact CE1-CD2 3.16Å; F171-H198 AromaticContact CE1-CE1 3.72Å; F171-H198 AromaticContact CE1-CG 3.68Å; F171-H198 AromaticContact CE1-ND1 3.92Å; F171-H198 AromaticContact CE1-NE2 3.41Å; F171-H198 WeakPolarHBondContact CE1-NE2 3.39Å; F171-L237 HydrophobicContact CE1-CD2 4.41Å; F171-L237 HydrophobicContact CE2-CD1 4.36Å; F171-L237 HydrophobicContact CZ-CD1 4.06Å; F171-L237 HydrophobicContact CZ-CD2 4.36Å
172	N	41.9	Very low	44.3	Very low	62 Å²	62	80.7 Å²	80.7	33%	0.332	43%	0.429	S	S	.	.			trans	-49.1	145.2	170.2	-111.3	-0	0	0	0	107.9	R135 K174 D175	R135-N172 VanDerWaalsContact NH1-N 3.16Å; R135-N172 PolarHBondContact NH1-OD1 3.29Å; R135-N172 PolarHBondContact NH2-ND2 3.44Å; R135-N172 PolarHBondContact NH2-OD1 2.86Å; N172-K174 WeakPolarHBondContact O-CA 3.44Å; N172-K174 PolarHBondContact O-N 3.45Å; N172-D175 PolarHBondContact O-N 3.26Å
173	I	33.9	Very low	42.7	Very low	152 Å²	152	85.6 Å²	85.6	78%	0.779	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	2.4	-178	-70.3	160.8	0	0	0	114.8	F171	F171-I173 PolarHBondContact O-N 3.42Å
174	K	39.9	Very low	41.1	Very low	77 Å²	77	89.7 Å²	89.7	34%	0.335	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-32.1	168.5	-73.6	-167.1	175.7	-174.4	0	114.5	N172 N610 I619	N172-K174 WeakPolarHBondContact O-CA 3.44Å; N172-K174 PolarHBondContact O-N 3.45Å; K174-N610 PolarHBondContact NZ-O 3Å; K174-I619 HydrophobicContact CB-CD1 3.38Å; K174-I619 HydrophobicContact CD-CD1 4.17Å; K174-I619 HydrophobicContact CG-CD1 3.74Å; K174-I619 WeakPolarHBondContact O-CD1 3.3Å
175	D	38.7	Very low	39.6	Very low	45 Å²	45	89 Å²	89	24%	0.241	47%	0.469	C	S	.	.	S	Bend	trans	-105	4.7	-170.1	-54.6	-44.8	0	0	0	115.5	F171 N172	F171-D175 HydrophobicContact CB-CB 3.76Å; F171-D175 HydrophobicContact CG-CB 4.36Å; N172-D175 PolarHBondContact O-N 3.26Å
176	T	33.9	Very low	38.2	Very low	36 Å²	36	93.2 Å²	93.2	22%	0.221	49%	0.49	C	S	.	.			trans	-121.2	114	-177.2	56.7	0	0	0	0	112.6	F171	F171-T176 HydrophobicContact CB-CG2 4.24Å; F171-T176 HydrophobicContact CD2-CG2 4.12Å
177	P	33.5	Very low	37.3	Very low	99 Å²	99	96.5 Å²	96.5	64%	0.643	50%	0.5	S	S	*	.			trans	-84.8	147.1	171.5	31.8	-29.6	0	0	0	112
178	K	31.5	Very low	36.5	Very low	197 Å²	197	99.3 Å²	99.3	86%	0.857	50%	0.504	S	S	*	.	S	Bend	trans	-65.5	136.2	-173.6	-68.6	172.1	177.1	172.7	0	113.2
179	S	32.6	Very low	35.9	Very low	100 Å²	100	101.1 Å²	101.1	70%	0.699	51%	0.507	S	S	*	.			trans	64.2	124.8	161.8	62.4	0	0	0	0	118.5
180	F	31.1	Very low	35.6	Very low	115 Å²	115	98.8 Å²	98.8	50%	0.504	49%	0.49	S	S	.	.			trans	-105.9	71.6	-174.6	-140	-81.2	0	0	0	109.7	R189	F180-R189 VanDerWaalsContact CZ-NH2 3.26Å
181	E	30.5	Very low	35.3	Very low	174 Å²	174	103.1 Å²	103.1	81%	0.813	51%	0.513	S	S	*	.			trans	-131.9	1.7	-179.5	-99.4	-173.8	177.7	0	0	116.9
182	N	29.3	Very low	35.5	Very low	121 Å²	121	106.2 Å²	106.2	65%	0.647	53%	0.53	S	S	*	.			trans	-143.8	127.9	176	-81.4	-48.3	0	0	0	114.1	H184 L185	N182-H184 PolarHBondContact O-N 2.6Å; N182-L185 WeakPolarHBondContact O-CB 3.25Å; N182-L185 PolarHBondContact O-N 2.77Å
183	N	31.4	Very low	36.7	Very low	151 Å²	151	103.8 Å²	103.8	81%	0.807	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-13.4	179	-78.6	-21.2	0	0	0	114.5	L185	N183-L185 PolarHBondContact O-N 3.11Å
184	H	30.1	Very low	38.6	Very low	172 Å²	172	96.8 Å²	96.8	80%	0.796	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.5	172.8	-86.9	-68	0	0	0	114.1	N182 I186	N182-H184 PolarHBondContact O-N 2.6Å; H184-I186 VanDerWaalsContact C-N 3.34Å; H184-I186 PolarHBondContact O-N 3.03Å
185	L	31.3	Very low	40.6	Very low	54 Å²	54	93.2 Å²	93.2	28%	0.283	47%	0.467	S	S	.	.	H	α-helix	trans	-79.1	-11.4	179.8	-75.6	163	0	0	0	114.1	N182 N183 E187 Q188 R189	N182-L185 WeakPolarHBondContact O-CB 3.25Å; N182-L185 PolarHBondContact O-N 2.77Å; N183-L185 PolarHBondContact O-N 3.11Å; L185-E187 PolarHBondContact O-N 2.81Å; L185-Q188 HydrophobicContact CD2-CB 4.32Å; L185-Q188 PolarHBondContact O-N 2.75Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; L185-R189 WeakPolarHBondContact O-CG 3.26Å; L185-R189 PolarHBondContact O-N 2.9Å
186	I	33.9	Very low	42.8	Very low	92 Å²	92	91.5 Å²	91.5	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-64.4	-30	178.6	-63.1	176	0	0	0	111.2	H184	H184-I186 VanDerWaalsContact C-N 3.34Å; H184-I186 PolarHBondContact O-N 3.03Å
187	E	32.6	Very low	45.4	Very low	120 Å²	120	90 Å²	90	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-75	-33	173.4	-66.2	-150.7	121.2	0	0	113	L185 K360	L185-E187 PolarHBondContact O-N 2.81Å; E187-K360 IonicContact OE1-NZ 3.11Å; E187-K360 PolarHBondContact OE1-NZ 2.95Å
188	Q	31.4	Very low	48	Very low	138 Å²	138	85.4 Å²	85.4	65%	0.645	42%	0.418	S	S	*	.	H	α-helix	trans	-75.3	-29.3	174.1	-80.6	-174.9	-30.6	0	0	112.9	L185 R190 N191	L185-Q188 HydrophobicContact CD2-CB 4.32Å; L185-Q188 PolarHBondContact O-N 2.75Å; L185-Q188 VanDerWaalsContact O-N 3.13Å; Q188-R190 PolarHBondContact O-N 3.04Å; Q188-N191 PolarHBondContact O-N 2.94Å
189	R	36	Very low	50.8	Low	95 Å²	95	76 Å²	76	36%	0.358	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.9	174.3	-77.7	179.3	-154.4	168.3	2.4	113.7	F180 L185 N191	F180-R189 VanDerWaalsContact CZ-NH2 3.26Å; L185-R189 WeakPolarHBondContact O-CG 3.26Å; L185-R189 PolarHBondContact O-N 2.9Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 3.45Å
190	R	42.7	Very low	53.4	Low	66 Å²	66	71.3 Å²	71.3	25%	0.249	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-70.3	-18.1	-177.8	-89.3	-178.9	168.7	155.3	-8.2	114.2	Q188	Q188-R190 PolarHBondContact O-N 3.04Å
191	N	44.8	Very low	56.1	Low	92 Å²	92	65.9 Å²	65.9	49%	0.492	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-88.5	-12.3	-173.7	-70.7	1	0	0	0	114.5	Q188 R189	Q188-N191 PolarHBondContact O-N 2.94Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 3.45Å
192	N	54.6	Low	58.5	Low	73 Å²	73	57.7 Å²	57.7	39%	0.39	28%	0.282	S	S	.	.			trans	-108.6	73.1	-179.5	-68.1	10.4	0	0	0	109.9
193	S	66.5	Low	60.8	Low	10 Å²	10	52.5 Å²	52.5	7%	0.07	26%	0.255	C	S	.	.			trans	-81.9	130	168.2	36.8	0	0	0	0	109.9	N544 C621	S193-N544 WeakPolarHBondContact CB-OD1 3.4Å; S193-C621 VanDerWaalsContact O-CA 3.22Å; S193-C621 WeakPolarHBondContact O-CA 3.35Å; S193-C621 VanDerWaalsContact O-CB 3.27Å; S193-C621 WeakPolarHBondContact O-CB 3.44Å; S193-C621 PolarHBondContact O-N 2.85Å; S193-C621 WeakPolarHBondContact OG-CB 3.38Å
194	S	75.4	Confident	62.7	Low	5 Å²	5	47.6 Å²	47.6	4%	0.035	23%	0.228	C	C	.	.			trans	-94.5	142.4	175.9	177.3	0	0	0	0	111.1	V196 H236 N238 N544 N548 E608	S194-V196 VanDerWaalsContact C-N 3.35Å; S194-V196 WeakPolarHBondContact OG-CB 3.28Å; S194-V196 WeakPolarHBondContact OG-CG2 3.49Å; S194-V196 PolarHBondContact OG-N 3.23Å; S194-V196 VanDerWaalsContact OG-N 3.08Å; S194-H236 PolarHBondContact N-O 3.38Å; S194-N238 PolarHBondContact O-ND2 2.91Å; S194-N544 PolarHBondContact O-ND2 3.36Å; S194-N548 PolarHBondContact O-ND2 2.81Å; S194-E608 PolarHBondContact OG-OE1 2.84Å
195	S	81	Confident	64.2	Low	2 Å²	2	42 Å²	42	1%	0.014	20%	0.204	C	C	.	.			trans	-87.5	-2	168.8	47.7	0	0	0	0	113.7	E608 S622	S195-E608 VanDerWaalsContact C-OE2 3.32Å; S195-E608 WeakPolarHBondContact CA-OE2 3.49Å; S195-E608 WeakPolarHBondContact CB-OE2 3.32Å; S195-E608 PolarHBondContact N-OE1 2.98Å; S195-E608 PolarHBondContact N-OE2 2.85Å; S195-E608 PolarHBondContact OG-OE1 2.73Å; S195-E608 PolarHBondContact OG-OE2 3.32Å; S195-S622 WeakPolarHBondContact OG-CB 3.18Å
196	V	85.1	Confident	65.3	Low	9 Å²	9	44.8 Å²	44.8	6%	0.055	22%	0.219	C	C	.	.			trans	-74.4	132.8	178.3	-174	0	0	0	0	111.5	P85 T87 S194 H198 N238 E608	P85-V196 HydrophobicContact CB-CG2 4.12Å; P85-V196 HydrophobicContact CG-CG2 4.09Å; T87-V196 VanDerWaalsContact OG1-CG1 3.31Å; T87-V196 WeakPolarHBondContact OG1-CG1 3.45Å; S194-V196 VanDerWaalsContact C-N 3.35Å; S194-V196 WeakPolarHBondContact OG-CB 3.28Å; S194-V196 WeakPolarHBondContact OG-CG2 3.49Å; S194-V196 PolarHBondContact OG-N 3.23Å; S194-V196 VanDerWaalsContact OG-N 3.08Å; V196-H198 PolarHBondContact O-ND1 2.93Å; V196-N238 WeakPolarHBondContact O-CB 3.4Å; V196-N238 PolarHBondContact O-ND2 2.96Å; V196-N238 VanDerWaalsContact O-ND2 3.14Å; V196-E608 HydrophobicContact CG2-CB 4Å; V196-E608 HydrophobicContact CG2-CG 4.23Å; V196-E608 WeakPolarHBondContact CG2-OE2 3.49Å; V196-E608 PolarHBondContact N-OE2 3.4Å; V196-E608 VanDerWaalsContact N-OE2 3.14Å
197	Y	89.5	Confident	66.4	Low	6 Å²	6	41.4 Å²	41.4	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.1	171.4	-69.5	-90	0	0	0	110.9	V84 P85 I86 T87 N238 I240 L268 L272 W545	V84-Y197 HydrophobicContact CG1-CD2 3.64Å; V84-Y197 HydrophobicContact CG1-CE2 3.87Å; P85-Y197 PolarHBondContact O-N 3.07Å; I86-Y197 WeakPolarHBondContact CA-O 3.4Å; T87-Y197 PolarHBondContact N-O 3.11Å; Y197-N238 HydrophobicContact CD1-CB 3.62Å; Y197-N238 HydrophobicContact CE1-CB 3.98Å; Y197-N238 HydrophobicContact CG-CB 4.2Å; Y197-I240 HydrophobicContact CD1-CD1 4.07Å; Y197-L268 HydrophobicContact CD1-CD2 4.42Å; Y197-L268 HydrophobicContact CD2-CD2 4.46Å; Y197-L268 HydrophobicContact CG-CD2 4.21Å; Y197-L272 HydrophobicContact CD1-CD1 3.85Å; Y197-L272 HydrophobicContact CE1-CB 4.03Å; Y197-L272 HydrophobicContact CE1-CD1 3.96Å; Y197-L272 HydrophobicContact CE1-CD2 4.33Å; Y197-L272 HydrophobicContact CE1-CG 4.34Å; Y197-W545 HydrophobicContact CE1-CB 4.16Å
198	H	87.9	Confident	67.1	Low	2 Å²	2	41 Å²	41	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.4	-178.4	-61	88.7	0	0	0	110.5	T87 F171 V196 L200 N238 L239 I240	T87-H198 CarbonylContact O-C 3.56Å; T87-H198 WeakPolarHBondContact O-CA 3.43Å; F171-H198 AromaticContact CD1-CD2 3.56Å; F171-H198 AromaticContact CD1-CE1 3.83Å; F171-H198 AromaticContact CD1-NE2 3.24Å; F171-H198 WeakPolarHBondContact CD1-NE2 3.5Å; F171-H198 HydrophobicContact CE1-CB 4.5Å; F171-H198 AromaticContact CE1-CD2 3.35Å; F171-H198 WeakPolarHBondContact CE1-CD2 3.16Å; F171-H198 AromaticContact CE1-CE1 3.72Å; F171-H198 AromaticContact CE1-CG 3.68Å; F171-H198 AromaticContact CE1-ND1 3.92Å; F171-H198 AromaticContact CE1-NE2 3.41Å; F171-H198 WeakPolarHBondContact CE1-NE2 3.39Å; V196-H198 PolarHBondContact O-ND1 2.93Å; H198-L200 HydrophobicContact CB-CD1 4.18Å; H198-N238 WeakPolarHBondContact CB-O 3.44Å; H198-N238 PolarHBondContact N-O 3.4Å; H198-N238 PolarHBondContact ND1-O 2.78Å; H198-L239 HydrophobicContact CB-CD1 4.43Å; H198-I240 PolarHBondContact O-N 3.44Å
199	F	90	Very high	68	Low	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	173.9	-71.5	-89.1	0	0	0	110.1	I86 T87 V88 L89 I240 I242 M264 L267 L268 L272	I86-F199 HydrophobicContact CG2-CD2 3.53Å; I86-F199 HydrophobicContact CG2-CE2 3.78Å; T87-F199 PolarHBondContact O-N 3.05Å; V88-F199 CarbonylContact C-O 3.35Å; V88-F199 WeakPolarHBondContact CA-O 3.3Å; V88-F199 HydrophobicContact CG2-CB 4.44Å; L89-F199 PolarHBondContact N-O 3.41Å; F199-I240 CarbonylContact C-O 3.26Å; F199-I240 WeakPolarHBondContact CA-O 3.45Å; F199-I240 HydrophobicContact CD1-CB 3.75Å; F199-I240 HydrophobicContact CD1-CD1 4.41Å; F199-I240 HydrophobicContact CD1-CG1 4.44Å; F199-I240 HydrophobicContact CD1-CG2 3.78Å; F199-I240 HydrophobicContact CE1-CB 3.88Å; F199-I240 HydrophobicContact CE1-CD1 4.12Å; F199-I240 HydrophobicContact CE1-CG1 4.14Å; F199-I240 HydrophobicContact CE1-CG2 3.77Å; F199-I240 HydrophobicContact CE2-CD1 4.26Å; F199-I240 HydrophobicContact CG-CB 4.45Å; F199-I240 HydrophobicContact CZ-CD1 4.04Å; F199-I240 HydrophobicContact CZ-CG1 4.5Å; F199-I242 HydrophobicContact CB-CD1 4.45Å; F199-I242 HydrophobicContact CD1-CD1 3.51Å; F199-I242 HydrophobicContact CD1-CG1 4.14Å; F199-I242 HydrophobicContact CE1-CD1 4.19Å; F199-I242 HydrophobicContact CG-CD1 4.37Å; F199-M264 HydrophobicContact CB-CE 4.14Å; F199-M264 HydrophobicContact CD1-CG 4.02Å; F199-M264 HydrophobicContact CE1-CB 4.39Å; F199-M264 HydrophobicContact CE1-CG 4.17Å; F199-M264 HydrophobicContact CG-CG 4.35Å; F199-L267 HydrophobicContact CE1-CD1 4.2Å; F199-L268 HydrophobicContact CE2-CD1 4.19Å; F199-L268 HydrophobicContact CE2-CD2 4.16Å; F199-L268 HydrophobicContact CE2-CG 4.29Å; F199-L268 HydrophobicContact CZ-CD1 4.17Å; F199-L268 HydrophobicContact CZ-CD2 4.03Å; F199-L268 HydrophobicContact CZ-CG 3.91Å; F199-L272 HydrophobicContact CZ-CD1 4.38Å
200	L	87.2	Confident	68.8	Low	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.9	179.6	-72.6	84.7	0	0	0	109.4	L89 F91 F161 H198 L239 I240 Y241 I242	L89-L200 HydrophobicContact CB-CG 4.2Å; L89-L200 HydrophobicContact CD1-CD1 4.36Å; L89-L200 HydrophobicContact CD1-CD2 4.48Å; L89-L200 HydrophobicContact CD1-CG 4.19Å; L89-L200 WeakPolarHBondContact O-CA 3.49Å; F91-L200 HydrophobicContact CD2-CB 4.41Å; F91-L200 HydrophobicContact CD2-CD2 4.12Å; F91-L200 HydrophobicContact CD2-CG 4.38Å; F91-L200 HydrophobicContact CE2-CD2 3.64Å; F91-L200 HydrophobicContact CE2-CG 4.1Å; F91-L200 HydrophobicContact CZ-CD2 4.47Å; F161-L200 HydrophobicContact CD1-CD2 4.43Å; F161-L200 HydrophobicContact CE1-CD2 3.2Å; F161-L200 HydrophobicContact CZ-CD2 3.27Å; H198-L200 HydrophobicContact CB-CD1 4.18Å; L200-L239 HydrophobicContact CD1-CD1 3.73Å; L200-L239 HydrophobicContact CD1-CD2 4.15Å; L200-L239 HydrophobicContact CD1-CG 3.66Å; L200-I240 PolarHBondContact N-O 3.11Å; L200-Y241 HydrophobicContact CB-CD1 3.7Å; L200-Y241 HydrophobicContact CB-CE1 4.1Å; L200-Y241 HydrophobicContact CD1-CE1 4.49Å; L200-Y241 HydrophobicContact CD2-CD1 4.14Å; L200-Y241 HydrophobicContact CD2-CE1 3.65Å; L200-Y241 HydrophobicContact CG-CD1 4.36Å; L200-Y241 HydrophobicContact CG-CE1 4.3Å; L200-I242 PolarHBondContact O-N 2.97Å
201	L	86.7	Confident	69	Low	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.5	179.4	-58.8	-177	0	0	0	109.7	V88 L89 F91 H92 L95 L100 I242 I244 L260 M264	V88-L201 HydrophobicContact CG1-CD1 3.76Å; V88-L201 HydrophobicContact CG1-CG 4Å; L89-L201 PolarHBondContact O-N 3.28Å; F91-L201 CarbonylContact C-O 3.51Å; F91-L201 VanDerWaalsContact C-O 3.26Å; F91-L201 VanDerWaalsContact CA-O 3.27Å; F91-L201 WeakPolarHBondContact CA-O 3.27Å; F91-L201 VanDerWaalsContact CB-O 3.31Å; F91-L201 WeakPolarHBondContact CB-O 3.48Å; F91-L201 PolarHBondContact N-O 2.96Å; H92-L201 PolarHBondContact N-O 3.36Å; L95-L201 HydrophobicContact CD1-CB 4.24Å; L95-L201 HydrophobicContact CD1-CD1 3.66Å; L100-L201 HydrophobicContact CD2-CD1 4.13Å; L201-I242 HydrophobicContact CD2-CB 3.96Å; L201-I242 HydrophobicContact CD2-CD1 4.24Å; L201-I242 HydrophobicContact CD2-CG2 4.19Å; L201-I244 HydrophobicContact CB-CD1 4.18Å; L201-I244 HydrophobicContact CD2-CD1 4.4Å; L201-L260 HydrophobicContact CD2-CD2 4.49Å; L201-M264 HydrophobicContact CD1-CE 4.45Å; L201-M264 HydrophobicContact CD2-CE 3.5Å; L201-M264 HydrophobicContact CG-CE 4.32Å
202	L	81.4	Confident	69.4	Low	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.1	-176.7	-69.2	166	0	0	0	111.1	F91 W158 Y241 I242 F243 I244	F91-L202 HydrophobicContact CB-CD2 3.68Å; F91-L202 HydrophobicContact CG-CD2 4.36Å; W158-L202 HydrophobicContact CH2-CD1 4.43Å; W158-L202 HydrophobicContact CZ3-CD1 4.44Å; L202-Y241 HydrophobicContact CD1-CD1 3.52Å; L202-Y241 HydrophobicContact CD1-CE1 4.23Å; L202-Y241 HydrophobicContact CD1-CG 4.25Å; L202-I242 PolarHBondContact N-O 3.21Å; L202-F243 HydrophobicContact CB-CD1 3.98Å; L202-F243 HydrophobicContact CB-CE1 4.07Å; L202-F243 HydrophobicContact CD1-CE1 3.9Å; L202-F243 HydrophobicContact CD1-CZ 4.01Å; L202-F243 WeakPolarHBondContact O-CA 3.38Å; L202-I244 PolarHBondContact O-N 3.43Å
203	P	76.9	Confident	69.2	Low	13 Å²	13	35.9 Å²	35.9	8%	0.084	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147	170.1	27.9	-32.1	0	0	0	110.8	H92 T147 D205	H92-P203 WeakPolarHBondContact CD2-CA 3.39Å; H92-P203 WeakPolarHBondContact NE2-CB 2.96Å; T147-P203 HydrophobicContact CG2-CG 3.49Å; T147-P203 VanDerWaalsContact CG2-CG 3.49Å; P203-D205 VanDerWaalsContact C-N 3.31Å
204	M	71.1	Confident	68.2	Low	48 Å²	48	38.2 Å²	38.2	24%	0.236	21%	0.207	C	C	.	.			trans	-88.5	3.1	176.1	-161.1	135.9	-179.6	0	0	113.5	I207 F228 F243 I244	M204-I207 HydrophobicContact CG-CD1 4.42Å; M204-F228 HydrophobicContact CE-CB 4.4Å; M204-F228 HydrophobicContact CE-CD1 4.46Å; M204-F228 HydrophobicContact SD-CB 4.36Å; M204-F243 HydrophobicContact CB-CB 4.39Å; M204-F243 HydrophobicContact CG-CB 4.36Å; M204-F243 HydrophobicContact SD-CB 3.68Å; M204-I244 VanDerWaalsContact CB-O 3.26Å; M204-I244 WeakPolarHBondContact CB-O 3.2Å; M204-I244 PolarHBondContact N-O 2.72Å
205	D	62.9	Low	66.7	Low	53 Å²	53	42.7 Å²	42.7	28%	0.283	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	132.8	-172	-63.5	-16.7	0	0	0	112.7	P203 I207 Q246	P203-D205 VanDerWaalsContact C-N 3.31Å; D205-I207 VanDerWaalsContact C-N 3.26Å; D205-I207 PolarHBondContact O-N 3.11Å; D205-Q246 VanDerWaalsContact CG-CD 3.42Å; D205-Q246 WeakPolarHBondContact OD1-CG 3.43Å; D205-Q246 PolarHBondContact OD1-NE2 2.97Å; D205-Q246 PolarHBondContact OD2-NE2 2.8Å
206	N	53.2	Low	65.1	Low	113 Å²	113	45.3 Å²	45.3	60%	0.604	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	23.3	179.7	-59.1	-13.1	0	0	0	115.3	D208	N206-D208 PolarHBondContact O-N 3.39Å
207	I	56.6	Low	63.5	Low	21 Å²	21	46.3 Å²	46.3	11%	0.108	25%	0.246	C	C	.	.			trans	-84.8	59.4	168	-48.5	-179.3	0	0	0	109.3	L150 I154 M204 D205 N209 L210 F243	L150-I207 HydrophobicContact CD2-CD1 3.9Å; L150-I207 HydrophobicContact CD2-CG1 4.12Å; I154-I207 HydrophobicContact CD1-CG2 3.58Å; M204-I207 HydrophobicContact CG-CD1 4.42Å; D205-I207 VanDerWaalsContact C-N 3.26Å; D205-I207 PolarHBondContact O-N 3.11Å; I207-N209 PolarHBondContact O-N 3.32Å; I207-N209 VanDerWaalsContact O-N 3.07Å; I207-L210 HydrophobicContact CD1-CD1 4.45Å; I207-L210 HydrophobicContact CG2-CB 3.62Å; I207-L210 HydrophobicContact CG2-CD1 3.59Å; I207-L210 HydrophobicContact CG2-CG 4.14Å; I207-F243 HydrophobicContact CD1-CD1 3.4Å; I207-F243 VanDerWaalsContact CD1-CD1 3.4Å; I207-F243 HydrophobicContact CD1-CE1 3.46Å; I207-F243 VanDerWaalsContact CD1-CE1 3.46Å; I207-F243 HydrophobicContact CD1-CG 4.42Å
208	D	48.1	Very low	61.4	Low	113 Å²	113	48.9 Å²	48.9	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	16.2	-179.4	-73.7	-22.3	0	0	0	112.3	N206 N218	N206-D208 PolarHBondContact O-N 3.39Å; D208-N218 VanDerWaalsContact O-CG 3.29Å; D208-N218 PolarHBondContact O-ND2 3.15Å; D208-N218 PolarHBondContact O-OD1 3.11Å
209	N	50.4	Low	59.3	Low	94 Å²	94	58 Å²	58	50%	0.503	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-170.4	57.5	-178	-89.9	-38.7	0	0	0	109.5	I207 W211 N216 N218	I207-N209 PolarHBondContact O-N 3.32Å; I207-N209 VanDerWaalsContact O-N 3.07Å; N209-W211 PolarHBondContact O-N 3.03Å; N209-W211 PolarHBondContact OD1-NE1 2.99Å; N209-N216 PolarHBondContact OD1-ND2 3.15Å; N209-N218 PolarHBondContact N-OD1 3.21Å
210	L	52.1	Low	57.2	Low	6 Å²	6	62 Å²	62	3%	0.031	33%	0.328	C	S	.	.			trans	-71.1	82.3	165.4	-154.8	124	0	0	0	107.4	I154 I207 L212 F217 F228 I230 F243	I154-L210 HydrophobicContact CD1-CB 4.02Å; I154-L210 HydrophobicContact CD1-CD1 3.51Å; I154-L210 HydrophobicContact CD1-CG 3.68Å; I207-L210 HydrophobicContact CD1-CD1 4.45Å; I207-L210 HydrophobicContact CG2-CB 3.62Å; I207-L210 HydrophobicContact CG2-CD1 3.59Å; I207-L210 HydrophobicContact CG2-CG 4.14Å; L210-L212 HydrophobicContact CD2-CD1 3.37Å; L210-L212 HydrophobicContact CD2-CG 3.8Å; L210-L212 PolarHBondContact O-N 2.97Å; L210-F217 HydrophobicContact CB-CB 4.25Å; L210-F217 HydrophobicContact CD2-CD2 3.9Å; L210-F217 HydrophobicContact CD2-CE2 4.32Å; L210-F217 HydrophobicContact CD2-CG 4.25Å; L210-F217 WeakPolarHBondContact O-CD2 3.49Å; L210-F228 HydrophobicContact CD2-CE1 4.16Å; L210-I230 HydrophobicContact CD1-CD1 4.13Å; L210-I230 HydrophobicContact CD2-CD1 3.93Å; L210-F243 HydrophobicContact CD1-CZ 4.34Å
211	W	48.1	Very low	55.2	Low	151 Å²	151	64.5 Å²	64.5	57%	0.572	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	99.7	173.4	-77.5	76.9	0	0	0	108.2	N209 N216	N209-W211 PolarHBondContact O-N 3.03Å; N209-W211 PolarHBondContact OD1-NE1 2.99Å; W211-N216 HydrophobicContact CZ2-CB 4.32Å
212	L	52.2	Low	53.1	Low	3 Å²	3	70.6 Å²	70.6	2%	0.016	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112	163.9	-75	165.5	0	0	0	106.8	L210 G214 M215 F217 I230 Q533	L210-L212 HydrophobicContact CD2-CD1 3.37Å; L210-L212 HydrophobicContact CD2-CG 3.8Å; L210-L212 PolarHBondContact O-N 2.97Å; L212-G214 VanDerWaalsContact C-N 3.31Å; L212-G214 PolarHBondContact O-N 2.88Å; L212-G214 VanDerWaalsContact O-N 3.13Å; L212-M215 PolarHBondContact N-O 3.44Å; L212-M215 PolarHBondContact O-N 3.15Å; L212-F217 HydrophobicContact CB-CE2 3.96Å; L212-F217 HydrophobicContact CD1-CD2 4.46Å; L212-F217 HydrophobicContact CD1-CE2 3.81Å; L212-F217 HydrophobicContact CD1-CZ 4.29Å; L212-F217 HydrophobicContact CG-CE2 4.38Å; L212-I230 HydrophobicContact CD1-CD1 4.1Å; L212-Q533 VanDerWaalsContact CD2-CD 3.41Å; L212-Q533 HydrophobicContact CD2-CG 3.65Å
213	D	50.9	Low	51.4	Low	101 Å²	101	75.7 Å²	75.7	54%	0.54	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	47.6	170.5	-60.7	-15.2	0	0	0	114.9	M215 N535	D213-M215 VanDerWaalsContact C-N 3.28Å; D213-M215 PolarHBondContact O-N 2.83Å; D213-N535 PolarHBondContact OD1-ND2 2.87Å; D213-N535 PolarHBondContact OD2-OD1 3.04Å
214	G	44.6	Very low	50.3	Low	59 Å²	59	77 Å²	77	61%	0.608	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1.8	176.3	0	0	0	0	0	115.2	L212	L212-G214 VanDerWaalsContact C-N 3.31Å; L212-G214 PolarHBondContact O-N 2.88Å; L212-G214 VanDerWaalsContact O-N 3.13Å
215	M	44	Very low	49.8	Very low	100 Å²	100	81 Å²	81	49%	0.493	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.9	169.3	-63.2	-154.6	-160.8	0	0	110.2	L212 D213 F217 Y519	L212-M215 PolarHBondContact N-O 3.44Å; L212-M215 PolarHBondContact O-N 3.15Å; D213-M215 VanDerWaalsContact C-N 3.28Å; D213-M215 PolarHBondContact O-N 2.83Å; M215-F217 HydrophobicContact CB-CE2 4.27Å; M215-F217 PolarHBondContact O-N 2.71Å; M215-Y519 HydrophobicContact CE-CE2 4.3Å; M215-Y519 HydrophobicContact SD-CE1 4.07Å; M215-Y519 PolarHBondContact SD-OH 3.03Å
216	N	47.2	Very low	49.9	Very low	57 Å²	57	82.1 Å²	82.1	31%	0.305	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103.9	171.9	-161.7	-16.2	0	0	0	108.6	N209 W211 N218	N209-N216 PolarHBondContact OD1-ND2 3.15Å; W211-N216 HydrophobicContact CZ2-CB 4.32Å; N216-N218 PolarHBondContact O-N 3.13Å; N216-N218 WeakPolarHBondContact OD1-CB 3.47Å; N216-N218 PolarHBondContact OD1-N 3.42Å; N216-N218 PolarHBondContact OD1-ND2 3.44Å
217	F	52.7	Low	50.7	Low	30 Å²	30	77 Å²	77	13%	0.132	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-64.5	-6.9	-178.9	-83.7	-94.3	0	0	0	113.9	L210 L212 M215 K219 T221 F228 H531	L210-F217 HydrophobicContact CB-CB 4.25Å; L210-F217 HydrophobicContact CD2-CD2 3.9Å; L210-F217 HydrophobicContact CD2-CE2 4.32Å; L210-F217 HydrophobicContact CD2-CG 4.25Å; L210-F217 WeakPolarHBondContact O-CD2 3.49Å; L212-F217 HydrophobicContact CB-CE2 3.96Å; L212-F217 HydrophobicContact CD1-CD2 4.46Å; L212-F217 HydrophobicContact CD1-CE2 3.81Å; L212-F217 HydrophobicContact CD1-CZ 4.29Å; L212-F217 HydrophobicContact CG-CE2 4.38Å; M215-F217 HydrophobicContact CB-CE2 4.27Å; M215-F217 PolarHBondContact O-N 2.71Å; F217-K219 PolarHBondContact O-N 2.65Å; F217-T221 PolarHBondContact O-OG1 3.39Å; F217-F228 HydrophobicContact CD1-CZ 4.27Å; F217-F228 AromaticContact CE1-CE2 3.98Å; F217-F228 HydrophobicContact CE1-CE2 3.98Å; F217-F228 AromaticContact CE1-CZ 3.84Å; F217-F228 HydrophobicContact CE1-CZ 3.84Å; F217-F228 HydrophobicContact CZ-CZ 4.24Å; F217-H531 AromaticContact CZ-CD2 3.77Å
218	N	45.5	Very low	51.6	Low	60 Å²	60	76.7 Å²	76.7	32%	0.321	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-58.1	-18.5	175.3	-74.4	1.4	0	0	0	115.3	D208 N209 N216	D208-N218 VanDerWaalsContact O-CG 3.29Å; D208-N218 PolarHBondContact O-ND2 3.15Å; D208-N218 PolarHBondContact O-OD1 3.11Å; N209-N218 PolarHBondContact N-OD1 3.21Å; N216-N218 PolarHBondContact O-N 3.13Å; N216-N218 WeakPolarHBondContact OD1-CB 3.47Å; N216-N218 PolarHBondContact OD1-N 3.42Å; N216-N218 PolarHBondContact OD1-ND2 3.44Å
219	K	43.4	Very low	53.2	Low	192 Å²	192	71.3 Å²	71.3	84%	0.835	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-98.2	-16.7	-172.5	-85.2	-177	176.7	177.6	0	115.7	F217	F217-K219 PolarHBondContact O-N 2.65Å
220	S	44.8	Very low	54.5	Low	85 Å²	85	66.9 Å²	66.9	59%	0.594	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-13	-176.6	54.8	0	0	0	0	114.6
221	T	46.5	Very low	55.8	Low	53 Å²	53	66.7 Å²	66.7	33%	0.325	37%	0.365	S	S	.	.			trans	-110	16.7	-171	53.5	0	0	0	0	114.8	F217 S223	F217-T221 PolarHBondContact O-OG1 3.39Å; T221-S223 PolarHBondContact O-N 3.16Å
222	T	42.6	Very low	57.2	Low	128 Å²	128	60.1 Å²	60.1	79%	0.785	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	8.6	175.9	51	0	0	0	0	114.1
223	S	46.1	Very low	58.4	Low	109 Å²	109	61 Å²	61	76%	0.762	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.8	18.8	176.2	60.1	0	0	0	0	117.6	T221	T221-S223 PolarHBondContact O-N 3.16Å
224	S	53.6	Low	59.6	Low	42 Å²	42	56.6 Å²	56.6	29%	0.294	32%	0.322	S	S	.	.			trans	-97.5	108.4	178.7	64	0	0	0	0	112.9	K226	S224-K226 PolarHBondContact O-N 3.46Å
225	M	59.2	Low	61	Low	132 Å²	132	56 Å²	56	65%	0.65	30%	0.304	S	S	*	.			trans	-67.9	32.2	165.9	-66.7	176	84.2	0	0	112.6	I248	M225-I248 WeakPolarHBondContact O-CD1 3.49Å; M225-I248 VanDerWaalsContact O-CG1 3.23Å; M225-I248 WeakPolarHBondContact O-CG1 3.27Å
226	K	66.2	Low	62.5	Low	75 Å²	75	55.2 Å²	55.2	33%	0.326	30%	0.299	S	S	.	.	S	Bend	trans	-131.2	139.7	-166.2	-58.5	-171.3	-172.5	-176.1	0	111.9	S224 P245 N526 T527	S224-K226 PolarHBondContact O-N 3.46Å; K226-P245 WeakPolarHBondContact O-CG 3.19Å; K226-N526 PolarHBondContact NZ-O 2.89Å; K226-T527 WeakPolarHBondContact CD-O 3.34Å
227	P	70.2	Confident	64.1	Low	6 Å²	6	53.5 Å²	53.5	4%	0.039	29%	0.29	C	S	.	.			trans	-64.4	141.8	178.1	27.1	-32.1	0	0	0	111	I242 F243 V259 H263 T529	P227-I242 HydrophobicContact CB-CG2 4.19Å; P227-F243 WeakPolarHBondContact CA-O 3.25Å; P227-V259 HydrophobicContact CG-CG1 4.28Å; P227-H263 HydrophobicContact CG-CB 4Å; P227-H263 PolarHBondContact O-CE1 3.27Å; P227-T529 PolarHBondContact O-OG1 3.34Å
228	F	76.2	Confident	65.6	Low	15 Å²	15	52.1 Å²	52.1	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.8	179.2	171.4	-107	0	0	0	109.1	M204 L210 F217 I230 F243 H531	M204-F228 HydrophobicContact CE-CB 4.4Å; M204-F228 HydrophobicContact CE-CD1 4.46Å; M204-F228 HydrophobicContact SD-CB 4.36Å; L210-F228 HydrophobicContact CD2-CE1 4.16Å; F217-F228 HydrophobicContact CD1-CZ 4.27Å; F217-F228 AromaticContact CE1-CE2 3.98Å; F217-F228 HydrophobicContact CE1-CE2 3.98Å; F217-F228 AromaticContact CE1-CZ 3.84Å; F217-F228 HydrophobicContact CE1-CZ 3.84Å; F217-F228 HydrophobicContact CZ-CZ 4.24Å; F228-I230 HydrophobicContact CD1-CG1 4.29Å; F228-I230 HydrophobicContact CE1-CD1 3.86Å; F228-I230 HydrophobicContact CE1-CG1 3.51Å; F228-I230 HydrophobicContact CZ-CG1 3.99Å; F228-F243 HydrophobicContact CD1-CB 4.49Å; F228-F243 AromaticContact CD1-CD2 3.98Å; F228-F243 HydrophobicContact CD1-CD2 3.98Å; F228-F243 HydrophobicContact CE1-CD2 4.49Å; F228-F243 PolarHBondContact N-O 2.91Å; F228-F243 WeakPolarHBondContact O-CB 3.33Å; F228-F243 PolarHBondContact O-N 2.92Å; F228-H531 HydrophobicContact CE2-CB 3.95Å; F228-H531 HydrophobicContact CZ-CB 3.7Å
229	S	80.3	Confident	67.5	Low	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141	-178.5	65	0	0	0	0	113.2	Y241 L267 T529 Y530 H531	S229-Y241 CarbonylContact C-O 3.53Å; S229-Y241 WeakPolarHBondContact CA-O 3.36Å; S229-Y241 WeakPolarHBondContact CB-O 3.33Å; S229-L267 WeakPolarHBondContact OG-CD1 3.31Å; S229-T529 PolarHBondContact N-O 3.11Å; S229-Y530 CarbonylContact O-C 3.53Å; S229-Y530 VanDerWaalsContact O-CA 3.31Å; S229-Y530 WeakPolarHBondContact O-CA 3.31Å; S229-Y530 WeakPolarHBondContact OG-CB 3.1Å; S229-H531 PolarHBondContact O-N 3.1Å
230	I	77.5	Confident	69.6	Low	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.8	171.6	-57	179.4	0	0	0	109.2	W158 L210 L212 F228 Y241 F243 H531 Q533	W158-I230 HydrophobicContact CZ2-CD1 4.17Å; L210-I230 HydrophobicContact CD1-CD1 4.13Å; L210-I230 HydrophobicContact CD2-CD1 3.93Å; L212-I230 HydrophobicContact CD1-CD1 4.1Å; F228-I230 HydrophobicContact CD1-CG1 4.29Å; F228-I230 HydrophobicContact CE1-CD1 3.86Å; F228-I230 HydrophobicContact CE1-CG1 3.51Å; F228-I230 HydrophobicContact CZ-CG1 3.99Å; I230-Y241 PolarHBondContact N-O 3.22Å; I230-Y241 PolarHBondContact O-N 2.79Å; I230-F243 HydrophobicContact CB-CE2 4.38Å; I230-F243 HydrophobicContact CD1-CD2 4.28Å; I230-F243 HydrophobicContact CD1-CE2 3.48Å; I230-F243 VanDerWaalsContact CD1-CE2 3.48Å; I230-F243 HydrophobicContact CD1-CZ 4.18Å; I230-F243 HydrophobicContact CG1-CD2 4.28Å; I230-F243 HydrophobicContact CG1-CE2 3.81Å; I230-H531 CarbonylContact C-O 3.55Å; I230-H531 VanDerWaalsContact CA-O 3.32Å; I230-H531 WeakPolarHBondContact CA-O 3.47Å; I230-Q533 HydrophobicContact CG2-CB 3.68Å
231	I	79.9	Confident	71.5	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.3	174.3	-57.7	173.1	0	0	0	108.3	I240 L267 V271 L272 Y530 H531 I532 Q533	I231-I240 HydrophobicContact CG1-CG1 4.38Å; I231-I240 HydrophobicContact CG1-CG2 4.23Å; I231-L267 HydrophobicContact CD1-CD2 4.44Å; I231-V271 HydrophobicContact CD1-CB 4.47Å; I231-V271 HydrophobicContact CD1-CG1 3.71Å; I231-L272 HydrophobicContact CD1-CD2 4.14Å; I231-L272 HydrophobicContact CG2-CD2 4.17Å; I231-Y530 HydrophobicContact CD1-CD2 4.47Å; I231-H531 PolarHBondContact N-O 3.4Å; I231-I532 HydrophobicContact CD1-CG1 4.28Å; I231-Q533 PolarHBondContact O-N 2.85Å
232	R	78.5	Confident	73.4	Confident	14 Å²	14	33.7 Å²	33.7	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.7	179.4	-66.3	-75.6	-73.5	163.2	3.1	111.6	E162 L234 L239 Y241 Q533	E162-R232 IonicContact OE1-CZ 2.72Å; E162-R232 VanDerWaalsContact OE1-CZ 3.26Å; E162-R232 IonicContact OE1-NE 3.98Å; E162-R232 PolarHBondContact OE1-NE 3.39Å; E162-R232 IonicContact OE1-NH2 3.23Å; E162-R232 PolarHBondContact OE1-NH2 2.95Å; E162-R232 IonicContact OE2-NH2 3.57Å; E162-R232 PolarHBondContact OE2-NH2 3.01Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 HydrophobicContact CB-CD1 4.28Å; R232-L234 HydrophobicContact CB-CG 4Å; R232-L234 PolarHBondContact O-N 3.19Å; R232-L239 HydrophobicContact CG-CD2 4.05Å; R232-L239 PolarHBondContact N-O 2.8Å; R232-Y241 HydrophobicContact CG-CD2 3.68Å; R232-Y241 HydrophobicContact CG-CE2 3.31Å; R232-Q533 VanDerWaalsContact NH1-NE2 3.18Å
233	N	76	Confident	75.3	Confident	22 Å²	22	27.7 Å²	27.7	12%	0.118	15%	0.149	C	C	.	.			trans	-83.6	74	172.3	-73.9	-6	0	0	0	111.2	Q533 M536 L538 T543	N233-Q533 WeakPolarHBondContact CB-O 3.32Å; N233-Q533 VanDerWaalsContact CG-O 3.29Å; N233-Q533 PolarHBondContact ND2-O 2.88Å; N233-M536 WeakPolarHBondContact O-CE 3.35Å; N233-L538 HydrophobicContact CB-CD1 4.01Å; N233-T543 HydrophobicContact CB-CG2 3.53Å
234	L	76.4	Confident	76.9	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.042	11%	0.113	C	C	.	.			trans	-97.5	149.7	175.1	-63.4	174.8	0	0	0	111.4	R232 L237 L239 M536 N544	R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 HydrophobicContact CB-CD1 4.28Å; R232-L234 HydrophobicContact CB-CG 4Å; R232-L234 PolarHBondContact O-N 3.19Å; L234-L237 WeakPolarHBondContact CB-O 3.39Å; L234-L237 HydrophobicContact CD1-CB 4.28Å; L234-L239 HydrophobicContact CD1-CB 3.85Å; L234-M536 HydrophobicContact CD2-CE 4.18Å; L234-N544 PolarHBondContact O-N 3.26Å
235	L	75.4	Confident	77.9	Confident	45 Å²	45	21.1 Å²	21.1	24%	0.236	10%	0.103	C	C	.	.	S	Bend	trans	-84.2	-15.7	-177.7	-63.7	175.9	0	0	0	114.6	L538 Q541 T542	L235-L538 HydrophobicContact CD1-CD2 4.5Å; L235-L538 HydrophobicContact CD2-CD1 4.42Å; L235-L538 HydrophobicContact CD2-CD2 4.17Å; L235-L538 HydrophobicContact CG-CD2 4.29Å; L235-Q541 VanDerWaalsContact CD1-OE1 3.25Å; L235-Q541 HydrophobicContact CD2-CB 3.83Å; L235-T542 WeakPolarHBondContact CD2-O 3.46Å
236	H	75.3	Confident	78.5	Confident	85 Å²	85	20.3 Å²	20.3	39%	0.394	10%	0.097	S	C	.	.	S	Bend	trans	-130.5	-17.7	-169.6	57.4	-73.7	0	0	0	114.1	S194	S194-H236 PolarHBondContact N-O 3.38Å
237	L	79	Confident	78.6	Confident	20 Å²	20	20 Å²	20	11%	0.105	10%	0.102	C	C	.	.			trans	-131.8	144.1	-176.9	-72.5	165.9	0	0	0	110.1	F171 L234	F171-L237 HydrophobicContact CE1-CD2 4.41Å; F171-L237 HydrophobicContact CE2-CD1 4.36Å; F171-L237 HydrophobicContact CZ-CD1 4.06Å; F171-L237 HydrophobicContact CZ-CD2 4.36Å; L234-L237 WeakPolarHBondContact CB-O 3.39Å; L234-L237 HydrophobicContact CD1-CB 4.28Å
238	N	85.3	Confident	78.6	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	103.5	168.3	-46.7	-47.1	0	0	0	107.5	S194 V196 Y197 H198 N544 W545 N548	S194-N238 PolarHBondContact O-ND2 2.91Å; V196-N238 WeakPolarHBondContact O-CB 3.4Å; V196-N238 PolarHBondContact O-ND2 2.96Å; V196-N238 VanDerWaalsContact O-ND2 3.14Å; Y197-N238 HydrophobicContact CD1-CB 3.62Å; Y197-N238 HydrophobicContact CE1-CB 3.98Å; Y197-N238 HydrophobicContact CG-CB 4.2Å; H198-N238 WeakPolarHBondContact CB-O 3.44Å; H198-N238 PolarHBondContact N-O 3.4Å; H198-N238 PolarHBondContact ND1-O 2.78Å; N238-N544 PolarHBondContact ND2-ND2 3.07Å; N238-N544 VanDerWaalsContact OD1-C 3.29Å; N238-N544 WeakPolarHBondContact OD1-CB 3.22Å; N238-N544 PolarHBondContact OD1-ND2 3.49Å; N238-W545 HydrophobicContact CB-CB 4.36Å; N238-W545 WeakPolarHBondContact OD1-CA 3.32Å; N238-W545 WeakPolarHBondContact OD1-CB 3.14Å; N238-W545 PolarHBondContact OD1-N 3.31Å; N238-N548 PolarHBondContact ND2-ND2 2.91Å; N238-N548 PolarHBondContact OD1-ND2 2.92Å
239	L	84.6	Confident	78.1	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.8	-173	-161.5	122.2	0	0	0	111.1	L165 H198 L200 R232 L234 Y241	L165-L239 HydrophobicContact CD1-CD1 3.84Å; H198-L239 HydrophobicContact CB-CD1 4.43Å; L200-L239 HydrophobicContact CD1-CD1 3.73Å; L200-L239 HydrophobicContact CD1-CD2 4.15Å; L200-L239 HydrophobicContact CD1-CG 3.66Å; R232-L239 HydrophobicContact CG-CD2 4.05Å; R232-L239 PolarHBondContact N-O 2.8Å; L234-L239 HydrophobicContact CD1-CB 3.85Å; L239-Y241 HydrophobicContact CD2-CD1 4.37Å; L239-Y241 HydrophobicContact CD2-CD2 3.94Å; L239-Y241 HydrophobicContact CD2-CE1 3.68Å; L239-Y241 HydrophobicContact CD2-CE2 3.19Å; L239-Y241 HydrophobicContact CD2-CG 4.49Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.4Å
240	I	88	Confident	77.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.8	-176.7	-55.1	99.1	0	0	0	108.7	Y197 H198 F199 L200 I231 I242 L267 L272	Y197-I240 HydrophobicContact CD1-CD1 4.07Å; H198-I240 PolarHBondContact O-N 3.44Å; F199-I240 CarbonylContact C-O 3.26Å; F199-I240 WeakPolarHBondContact CA-O 3.45Å; F199-I240 HydrophobicContact CD1-CB 3.75Å; F199-I240 HydrophobicContact CD1-CD1 4.41Å; F199-I240 HydrophobicContact CD1-CG1 4.44Å; F199-I240 HydrophobicContact CD1-CG2 3.78Å; F199-I240 HydrophobicContact CE1-CB 3.88Å; F199-I240 HydrophobicContact CE1-CD1 4.12Å; F199-I240 HydrophobicContact CE1-CG1 4.14Å; F199-I240 HydrophobicContact CE1-CG2 3.77Å; F199-I240 HydrophobicContact CE2-CD1 4.26Å; F199-I240 HydrophobicContact CG-CB 4.45Å; F199-I240 HydrophobicContact CZ-CD1 4.04Å; F199-I240 HydrophobicContact CZ-CG1 4.5Å; L200-I240 PolarHBondContact N-O 3.11Å; I231-I240 HydrophobicContact CG1-CG1 4.38Å; I231-I240 HydrophobicContact CG1-CG2 4.23Å; I240-I242 HydrophobicContact CG2-CG1 4.4Å; I240-L267 HydrophobicContact CG2-CD1 4.25Å; I240-L272 HydrophobicContact CD1-CD1 3.96Å; I240-L272 HydrophobicContact CG1-CD1 4.17Å
241	Y	84.6	Confident	76.2	Confident	1 Å²	1	29 Å²	29	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.3	171.9	-61.9	-75.3	0	0	0	109.7	W158 F161 L200 L202 S229 I230 R232 L239	W158-Y241 HydrophobicContact CD2-CE2 4.03Å; W158-Y241 HydrophobicContact CE3-CD1 4.47Å; W158-Y241 HydrophobicContact CE3-CD2 4.07Å; W158-Y241 AromaticContact CE3-CE1 3.83Å; W158-Y241 HydrophobicContact CE3-CE1 3.83Å; W158-Y241 AromaticContact CE3-CE2 3.3Å; W158-Y241 HydrophobicContact CE3-CE2 3.3Å; W158-Y241 AromaticContact CE3-CZ 3.17Å; W158-Y241 AromaticContact CH2-CD1 3.64Å; W158-Y241 HydrophobicContact CH2-CD1 3.64Å; W158-Y241 AromaticContact CH2-CD2 3.15Å; W158-Y241 HydrophobicContact CH2-CD2 3.15Å; W158-Y241 AromaticContact CH2-CE1 3.85Å; W158-Y241 HydrophobicContact CH2-CE1 3.85Å; W158-Y241 AromaticContact CH2-CE2 3.34Å; W158-Y241 HydrophobicContact CH2-CE2 3.34Å; W158-Y241 AromaticContact CH2-CG 3.28Å; W158-Y241 HydrophobicContact CH2-CG 3.28Å; W158-Y241 AromaticContact CH2-CZ 3.7Å; W158-Y241 AromaticContact CZ2-CD2 3.88Å; W158-Y241 HydrophobicContact CZ2-CD2 3.88Å; W158-Y241 HydrophobicContact CZ2-CE2 4.04Å; W158-Y241 HydrophobicContact CZ2-CG 4.33Å; W158-Y241 AromaticContact CZ3-CD1 3.39Å; W158-Y241 HydrophobicContact CZ3-CD1 3.39Å; W158-Y241 AromaticContact CZ3-CD2 3.34Å; W158-Y241 HydrophobicContact CZ3-CD2 3.34Å; W158-Y241 AromaticContact CZ3-CE1 3.1Å; W158-Y241 HydrophobicContact CZ3-CE1 3.1Å; W158-Y241 AromaticContact CZ3-CE2 2.98Å; W158-Y241 HydrophobicContact CZ3-CE2 2.98Å; W158-Y241 AromaticContact CZ3-CG 3.5Å; W158-Y241 HydrophobicContact CZ3-CG 3.5Å; W158-Y241 VanDerWaalsContact CZ3-CG 3.5Å; W158-Y241 AromaticContact CZ3-CZ 2.87Å; W158-Y241 WeakPolarHBondContact CZ3-OH 3.48Å; F161-Y241 HydrophobicContact CD1-CE1 4.27Å; F161-Y241 WeakPolarHBondContact CD1-OH 3.39Å; F161-Y241 HydrophobicContact CE1-CE1 4.08Å; L200-Y241 HydrophobicContact CB-CD1 3.7Å; L200-Y241 HydrophobicContact CB-CE1 4.1Å; L200-Y241 HydrophobicContact CD1-CE1 4.49Å; L200-Y241 HydrophobicContact CD2-CD1 4.14Å; L200-Y241 HydrophobicContact CD2-CE1 3.65Å; L200-Y241 HydrophobicContact CG-CD1 4.36Å; L200-Y241 HydrophobicContact CG-CE1 4.3Å; L202-Y241 HydrophobicContact CD1-CD1 3.52Å; L202-Y241 HydrophobicContact CD1-CE1 4.23Å; L202-Y241 HydrophobicContact CD1-CG 4.25Å; S229-Y241 CarbonylContact C-O 3.53Å; S229-Y241 WeakPolarHBondContact CA-O 3.36Å; S229-Y241 WeakPolarHBondContact CB-O 3.33Å; I230-Y241 PolarHBondContact N-O 3.22Å; I230-Y241 PolarHBondContact O-N 2.79Å; R232-Y241 HydrophobicContact CG-CD2 3.68Å; R232-Y241 HydrophobicContact CG-CE2 3.31Å; L239-Y241 HydrophobicContact CD2-CD1 4.37Å; L239-Y241 HydrophobicContact CD2-CD2 3.94Å; L239-Y241 HydrophobicContact CD2-CE1 3.68Å; L239-Y241 HydrophobicContact CD2-CE2 3.19Å; L239-Y241 HydrophobicContact CD2-CG 4.49Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.4Å
242	I	86.9	Confident	74.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.6	173.4	-62.7	178.7	0	0	0	107.4	F199 L200 L201 L202 P227 I240 I244 L260 M264	F199-I242 HydrophobicContact CB-CD1 4.45Å; F199-I242 HydrophobicContact CD1-CD1 3.51Å; F199-I242 HydrophobicContact CD1-CG1 4.14Å; F199-I242 HydrophobicContact CE1-CD1 4.19Å; F199-I242 HydrophobicContact CG-CD1 4.37Å; L200-I242 PolarHBondContact O-N 2.97Å; L201-I242 HydrophobicContact CD2-CB 3.96Å; L201-I242 HydrophobicContact CD2-CD1 4.24Å; L201-I242 HydrophobicContact CD2-CG2 4.19Å; L202-I242 PolarHBondContact N-O 3.21Å; P227-I242 HydrophobicContact CB-CG2 4.19Å; I240-I242 HydrophobicContact CG2-CG1 4.4Å; I242-I244 HydrophobicContact CG2-CG1 4.46Å; I242-L260 HydrophobicContact CG2-CD2 4.15Å; I242-M264 HydrophobicContact CD1-CE 3.75Å; I242-M264 HydrophobicContact CD1-CG 3.54Å
243	F	81.2	Confident	73.6	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.3	173.9	-63.9	-87.3	0	0	0	110	L150 W158 L202 M204 I207 L210 P227 F228 I230	L150-F243 HydrophobicContact CD2-CE1 4.33Å; W158-F243 HydrophobicContact CH2-CE2 4.26Å; W158-F243 AromaticContact CH2-CZ 3.75Å; W158-F243 HydrophobicContact CH2-CZ 3.75Å; W158-F243 HydrophobicContact CZ2-CZ 4.12Å; L202-F243 HydrophobicContact CB-CD1 3.98Å; L202-F243 HydrophobicContact CB-CE1 4.07Å; L202-F243 HydrophobicContact CD1-CE1 3.9Å; L202-F243 HydrophobicContact CD1-CZ 4.01Å; L202-F243 WeakPolarHBondContact O-CA 3.38Å; M204-F243 HydrophobicContact CB-CB 4.39Å; M204-F243 HydrophobicContact CG-CB 4.36Å; M204-F243 HydrophobicContact SD-CB 3.68Å; I207-F243 HydrophobicContact CD1-CD1 3.4Å; I207-F243 VanDerWaalsContact CD1-CD1 3.4Å; I207-F243 HydrophobicContact CD1-CE1 3.46Å; I207-F243 VanDerWaalsContact CD1-CE1 3.46Å; I207-F243 HydrophobicContact CD1-CG 4.42Å; L210-F243 HydrophobicContact CD1-CZ 4.34Å; P227-F243 WeakPolarHBondContact CA-O 3.25Å; F228-F243 HydrophobicContact CD1-CB 4.49Å; F228-F243 AromaticContact CD1-CD2 3.98Å; F228-F243 HydrophobicContact CD1-CD2 3.98Å; F228-F243 HydrophobicContact CE1-CD2 4.49Å; F228-F243 PolarHBondContact N-O 2.91Å; F228-F243 WeakPolarHBondContact O-CB 3.33Å; F228-F243 PolarHBondContact O-N 2.92Å; I230-F243 HydrophobicContact CB-CE2 4.38Å; I230-F243 HydrophobicContact CD1-CD2 4.28Å; I230-F243 HydrophobicContact CD1-CE2 3.48Å; I230-F243 VanDerWaalsContact CD1-CE2 3.48Å; I230-F243 HydrophobicContact CD1-CZ 4.18Å; I230-F243 HydrophobicContact CG1-CD2 4.28Å; I230-F243 HydrophobicContact CG1-CE2 3.81Å
244	I	80.7	Confident	72.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.5	-175.2	-52.5	178.9	0	0	0	108.9	L95 L201 L202 M204 I242 M249 L256 L260	L95-I244 HydrophobicContact CD1-CD1 3.65Å; L201-I244 HydrophobicContact CB-CD1 4.18Å; L201-I244 HydrophobicContact CD2-CD1 4.4Å; L202-I244 PolarHBondContact O-N 3.43Å; M204-I244 VanDerWaalsContact CB-O 3.26Å; M204-I244 WeakPolarHBondContact CB-O 3.2Å; M204-I244 PolarHBondContact N-O 2.72Å; I242-I244 HydrophobicContact CG2-CG1 4.46Å; I244-M249 HydrophobicContact CG2-CG 4.25Å; I244-L256 HydrophobicContact CG2-CD1 4.23Å; I244-L260 HydrophobicContact CD1-CD1 4Å; I244-L260 HydrophobicContact CD1-CD2 3.94Å; I244-L260 HydrophobicContact CG1-CD2 4Å
245	P	75.6	Confident	72.6	Confident	13 Å²	13	53 Å²	53	8%	0.084	28%	0.284	C	S	.	.			trans	-68.1	139.3	174.2	-15.1	25.3	0	0	0	112.1	K226 T247 I248	K226-P245 WeakPolarHBondContact O-CG 3.19Å; P245-T247 PolarHBondContact O-N 3.48Å; P245-T247 VanDerWaalsContact O-N 3.09Å; P245-I248 HydrophobicContact CB-CG1 4.4Å; P245-I248 HydrophobicContact CG-CD1 4.07Å; P245-I248 HydrophobicContact CG-CG1 4.38Å; P245-I248 PolarHBondContact O-N 2.95Å; P245-I248 VanDerWaalsContact O-N 3.11Å
246	Q	71.4	Confident	73	Confident	114 Å²	114	51.5 Å²	51.5	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-52	-30.7	172	-98.5	175	2.6	0	0	114	D205 I248 M249 S250	D205-Q246 VanDerWaalsContact CG-CD 3.42Å; D205-Q246 WeakPolarHBondContact OD1-CG 3.43Å; D205-Q246 PolarHBondContact OD1-NE2 2.97Å; D205-Q246 PolarHBondContact OD2-NE2 2.8Å; Q246-I248 VanDerWaalsContact C-N 3.25Å; Q246-I248 PolarHBondContact O-N 2.96Å; Q246-M249 PolarHBondContact O-N 3.27Å; Q246-M249 VanDerWaalsContact O-N 3.16Å; Q246-S250 PolarHBondContact O-N 3.27Å
247	T	67.7	Low	73.4	Confident	70 Å²	70	47.6 Å²	47.6	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-27.3	-178.4	52.7	0	0	0	0	113.4	P245	P245-T247 PolarHBondContact O-N 3.48Å; P245-T247 VanDerWaalsContact O-N 3.09Å
248	I	70	Confident	73.7	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-32.8	177	-51.6	-176.8	0	0	0	110.3	M225 P245 Q246 S250 S251 L256	M225-I248 WeakPolarHBondContact O-CD1 3.49Å; M225-I248 VanDerWaalsContact O-CG1 3.23Å; M225-I248 WeakPolarHBondContact O-CG1 3.27Å; P245-I248 HydrophobicContact CB-CG1 4.4Å; P245-I248 HydrophobicContact CG-CD1 4.07Å; P245-I248 HydrophobicContact CG-CG1 4.38Å; P245-I248 PolarHBondContact O-N 2.95Å; P245-I248 VanDerWaalsContact O-N 3.11Å; Q246-I248 VanDerWaalsContact C-N 3.25Å; Q246-I248 PolarHBondContact O-N 2.96Å; I248-S250 PolarHBondContact O-N 2.9Å; I248-S251 PolarHBondContact O-N 3.32Å; I248-S251 PolarHBondContact O-OG 2.94Å; I248-L256 HydrophobicContact CB-CD1 4.3Å; I248-L256 HydrophobicContact CG2-CD1 3.51Å
249	M	65.8	Low	73.6	Confident	39 Å²	39	54 Å²	54	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-70.2	-28.3	-178.3	-68	-125.9	57.7	0	0	113.4	H92 E94 I244 Q246 S251 L256	H92-M249 PolarHBondContact CE1-SD 3.49Å; E94-M249 HydrophobicContact CB-CE 3.68Å; E94-M249 HydrophobicContact CB-SD 3.85Å; I244-M249 HydrophobicContact CG2-CG 4.25Å; Q246-M249 PolarHBondContact O-N 3.27Å; Q246-M249 VanDerWaalsContact O-N 3.16Å; M249-S251 PolarHBondContact O-N 3.5Å; M249-L256 HydrophobicContact CE-CD2 3.65Å; M249-L256 HydrophobicContact SD-CD2 4.41Å
250	S	60.8	Low	73.8	Confident	103 Å²	103	54 Å²	54	72%	0.72	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.4	178.4	94	0	0	0	0	114.2	Q246 I248 K252	Q246-S250 PolarHBondContact O-N 3.27Å; I248-S250 PolarHBondContact O-N 2.9Å; S250-K252 PolarHBondContact O-N 2.62Å
251	S	57.3	Low	73.8	Confident	53 Å²	53	53.9 Å²	53.9	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	-78.9	106.4	175	76.2	0	0	0	0	109.9	I248 M249 D253	I248-S251 PolarHBondContact O-N 3.32Å; I248-S251 PolarHBondContact O-OG 2.94Å; M249-S251 PolarHBondContact O-N 3.5Å; S251-D253 PolarHBondContact O-N 3.3Å
252	K	51.8	Low	73.9	Confident	198 Å²	198	57.3 Å²	57.3	86%	0.861	31%	0.307	S	S	*	.			trans	-46.5	103.9	-177.7	-73.8	-179.8	172.4	-179.1	0	113.3	S250 S254	S250-K252 PolarHBondContact O-N 2.62Å; K252-S254 PolarHBondContact O-N 3.49Å
253	D	51.5	Low	73.9	Confident	144 Å²	144	57.5 Å²	57.5	77%	0.77	31%	0.308	S	S	*	.	S	Bend	trans	60.2	26.4	138.2	-60.1	-23.9	0	0	0	123.2	S251	S251-D253 PolarHBondContact O-N 3.3Å
254	S	58	Low	74.3	Confident	84 Å²	84	57.5 Å²	57.5	59%	0.587	31%	0.308	S	S	*	.	S	Bend	trans	-149.8	-3.9	162.3	94.8	0	0	0	0	117.6	K252	K252-S254 PolarHBondContact O-N 3.49Å
255	Q	74.7	Confident	74.7	Confident	124 Å²	124	59.4 Å²	59.4	58%	0.579	32%	0.316	S	S	*	.	S	Bend	trans	-109.2	-19.4	-174.9	-66.2	-163.5	-7.8	0	0	113.9	K258 V259	Q255-K258 WeakPolarHBondContact O-CB 3.35Å; Q255-K258 PolarHBondContact O-N 3.49Å; Q255-V259 WeakPolarHBondContact O-CB 3.37Å; Q255-V259 VanDerWaalsContact O-CG2 3.28Å; Q255-V259 WeakPolarHBondContact O-CG2 3.44Å; Q255-V259 PolarHBondContact O-N 3.49Å
256	L	82	Confident	75.2	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-60.1	-52.3	-176.6	-179.9	65.4	0	0	0	112.6	L95 I244 I248 M249 K258 V259 L260	L95-L256 HydrophobicContact CD2-CD2 3.47Å; L95-L256 VanDerWaalsContact CD2-CD2 3.47Å; L95-L256 HydrophobicContact CD2-CG 4.29Å; I244-L256 HydrophobicContact CG2-CD1 4.23Å; I248-L256 HydrophobicContact CB-CD1 4.3Å; I248-L256 HydrophobicContact CG2-CD1 3.51Å; M249-L256 HydrophobicContact CE-CD2 3.65Å; M249-L256 HydrophobicContact SD-CD2 4.41Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.94Å; L256-V259 PolarHBondContact O-N 3.13Å; L256-V259 VanDerWaalsContact O-N 3.17Å; L256-L260 HydrophobicContact CD1-CD1 4.06Å; L256-L260 HydrophobicContact CD1-CG 4.26Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.01Å
257	S	84.6	Confident	76	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-56.9	-41	176.6	52.7	0	0	0	0	111.5	Q102 A261	Q102-S257 PolarHBondContact OE1-OG 3.01Å; S257-A261 WeakPolarHBondContact O-CB 3.45Å; S257-A261 PolarHBondContact O-N 3.44Å
258	K	85.2	Confident	77	Confident	105 Å²	105	53.1 Å²	53.1	46%	0.457	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-45.3	175.6	-170.1	-179.6	179.2	-176.7	0	112.9	I106 Q255 L256 L262	I106-K258 HydrophobicContact CD1-CB 4.14Å; Q255-K258 WeakPolarHBondContact O-CB 3.35Å; Q255-K258 PolarHBondContact O-N 3.49Å; L256-K258 VanDerWaalsContact C-N 3.26Å; L256-K258 PolarHBondContact O-N 2.94Å; K258-L262 HydrophobicContact CG-CD1 4.02Å; K258-L262 WeakPolarHBondContact O-CB 3.28Å; K258-L262 VanDerWaalsContact O-CG 3.24Å; K258-L262 WeakPolarHBondContact O-CG 3.32Å; K258-L262 PolarHBondContact O-N 2.92Å
259	V	84.3	Confident	77.6	Confident	50 Å²	50	53.7 Å²	53.7	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-45.1	178.9	170.4	0	0	0	0	110.3	P227 Q255 L256 L262 H263	P227-V259 HydrophobicContact CG-CG1 4.28Å; Q255-V259 WeakPolarHBondContact O-CB 3.37Å; Q255-V259 VanDerWaalsContact O-CG2 3.28Å; Q255-V259 WeakPolarHBondContact O-CG2 3.44Å; Q255-V259 PolarHBondContact O-N 3.49Å; L256-V259 PolarHBondContact O-N 3.13Å; L256-V259 VanDerWaalsContact O-N 3.17Å; V259-L262 PolarHBondContact O-N 3.39Å; V259-H263 WeakPolarHBondContact O-CB 3.27Å; V259-H263 PolarHBondContact O-N 2.94Å
260	L	87.3	Confident	78.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-47.4	176.9	-70.2	171.2	0	0	0	111.8	L95 I103 L201 I242 I244 L256 L262 H263 M264	L95-L260 HydrophobicContact CD1-CD1 4.35Å; L95-L260 HydrophobicContact CD2-CD1 4.48Å; I103-L260 HydrophobicContact CD1-CB 4.24Å; I103-L260 HydrophobicContact CD1-CD1 4.21Å; L201-L260 HydrophobicContact CD2-CD2 4.49Å; I242-L260 HydrophobicContact CG2-CD2 4.15Å; I244-L260 HydrophobicContact CD1-CD1 4Å; I244-L260 HydrophobicContact CD1-CD2 3.94Å; I244-L260 HydrophobicContact CG1-CD2 4Å; L256-L260 HydrophobicContact CD1-CD1 4.06Å; L256-L260 HydrophobicContact CD1-CG 4.26Å; L256-L260 HydrophobicContact CG-CD1 3.98Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.01Å; L260-L262 PolarHBondContact O-N 3.38Å; L260-H263 PolarHBondContact O-N 3.44Å; L260-M264 WeakPolarHBondContact O-CG 3.41Å; L260-M264 PolarHBondContact O-N 3.49Å
261	A	88.4	Confident	79.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-41.3	178.9	0	0	0	0	0	112.2	I103 I106 F107 F110 S257 K265	I103-A261 HydrophobicContact CG2-CB 4.28Å; I106-A261 HydrophobicContact CB-CB 4.06Å; I106-A261 HydrophobicContact CD1-CB 4.26Å; I106-A261 HydrophobicContact CG2-CB 3.61Å; F107-A261 HydrophobicContact CD2-CB 4.27Å; F107-A261 HydrophobicContact CE2-CB 4.01Å; F110-A261 HydrophobicContact CE2-CB 4.43Å; S257-A261 WeakPolarHBondContact O-CB 3.45Å; S257-A261 PolarHBondContact O-N 3.44Å; A261-K265 VanDerWaalsContact O-CB 3.3Å; A261-K265 WeakPolarHBondContact O-CB 3.35Å; A261-K265 PolarHBondContact O-N 3.03Å
262	L	86.9	Confident	80.5	Confident	73 Å²	73	47.2 Å²	47.2	38%	0.382	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-41.7	174.9	-76.1	169.4	0	0	0	111.9	F110 K258 V259 L260 K265 Y266	F110-L262 HydrophobicContact CE1-CD2 4.24Å; F110-L262 HydrophobicContact CE2-CD2 4.49Å; F110-L262 HydrophobicContact CZ-CD2 3.62Å; F110-L262 HydrophobicContact CZ-CG 4.2Å; K258-L262 HydrophobicContact CG-CD1 4.02Å; K258-L262 WeakPolarHBondContact O-CB 3.28Å; K258-L262 VanDerWaalsContact O-CG 3.24Å; K258-L262 WeakPolarHBondContact O-CG 3.32Å; K258-L262 PolarHBondContact O-N 2.92Å; V259-L262 PolarHBondContact O-N 3.39Å; L260-L262 PolarHBondContact O-N 3.38Å; L262-K265 PolarHBondContact O-N 2.92Å; L262-Y266 WeakPolarHBondContact O-CB 3.17Å; L262-Y266 PolarHBondContact O-N 3.44Å
263	H	86.5	Confident	82	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-45.8	177.4	-174.7	85.5	0	0	0	111.9	P227 V259 L260 K265 Y266 L267 H528	P227-H263 HydrophobicContact CG-CB 4Å; P227-H263 PolarHBondContact O-CE1 3.27Å; V259-H263 WeakPolarHBondContact O-CB 3.27Å; V259-H263 PolarHBondContact O-N 2.94Å; L260-H263 PolarHBondContact O-N 3.44Å; H263-K265 PolarHBondContact O-N 3.42Å; H263-Y266 WeakPolarHBondContact O-CB 3.46Å; H263-Y266 PolarHBondContact O-N 2.98Å; H263-L267 WeakPolarHBondContact O-CG 3.46Å; H263-L267 PolarHBondContact O-N 2.77Å; H263-H528 AromaticContact ND1-CD2 3.81Å
264	M	90.8	Very high	83.5	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-46.6	174.3	-71.8	173.1	-177	0	0	111.6	V88 I103 F107 F199 L201 I242 L260 Y266 L267 L268	V88-M264 HydrophobicContact CG1-CE 3.99Å; V88-M264 HydrophobicContact CG2-CE 4.18Å; V88-M264 HydrophobicContact CG2-SD 4.16Å; I103-M264 HydrophobicContact CG2-SD 4.32Å; F107-M264 HydrophobicContact CE2-CB 4.24Å; F107-M264 HydrophobicContact CE2-SD 4.21Å; F107-M264 HydrophobicContact CZ-CB 3.82Å; F199-M264 HydrophobicContact CB-CE 4.14Å; F199-M264 HydrophobicContact CD1-CG 4.02Å; F199-M264 HydrophobicContact CE1-CB 4.39Å; F199-M264 HydrophobicContact CE1-CG 4.17Å; F199-M264 HydrophobicContact CG-CG 4.35Å; L201-M264 HydrophobicContact CD1-CE 4.45Å; L201-M264 HydrophobicContact CD2-CE 3.5Å; L201-M264 HydrophobicContact CG-CE 4.32Å; I242-M264 HydrophobicContact CD1-CE 3.75Å; I242-M264 HydrophobicContact CD1-CG 3.54Å; L260-M264 WeakPolarHBondContact O-CG 3.41Å; L260-M264 PolarHBondContact O-N 3.49Å; M264-Y266 VanDerWaalsContact C-N 3.32Å; M264-Y266 PolarHBondContact O-N 3.29Å; M264-L267 PolarHBondContact O-N 3.39Å; M264-L268 WeakPolarHBondContact O-CG 3.36Å; M264-L268 PolarHBondContact O-N 3.02Å
265	K	89	Confident	84.5	Confident	42 Å²	42	28.6 Å²	28.6	18%	0.183	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-44.9	176.6	175.9	168.1	176.5	162.9	0	111.3	F107 F110 A261 L262 H263 L267 L268 D269	F107-K265 HydrophobicContact CE1-CB 4.21Å; F107-K265 HydrophobicContact CZ-CB 4.34Å; F110-K265 HydrophobicContact CB-CD 4.45Å; F110-K265 HydrophobicContact CD1-CD 4.45Å; F110-K265 HydrophobicContact CD2-CD 3.53Å; F110-K265 HydrophobicContact CE2-CB 4.31Å; F110-K265 HydrophobicContact CE2-CD 3.73Å; F110-K265 HydrophobicContact CG-CD 3.92Å; F110-K265 HydrophobicContact CZ-CD 4.3Å; A261-K265 VanDerWaalsContact O-CB 3.3Å; A261-K265 WeakPolarHBondContact O-CB 3.35Å; A261-K265 PolarHBondContact O-N 3.03Å; L262-K265 PolarHBondContact O-N 2.92Å; H263-K265 PolarHBondContact O-N 3.42Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.2Å; K265-L268 PolarHBondContact O-N 2.94Å; K265-D269 WeakPolarHBondContact CE-OD2 3.34Å; K265-D269 WeakPolarHBondContact CG-OD2 3.43Å; K265-D269 WeakPolarHBondContact O-CB 3.47Å; K265-D269 PolarHBondContact O-N 2.92Å
266	Y	86.1	Confident	84.5	Confident	65 Å²	65	27.6 Å²	27.6	26%	0.255	14%	0.137	S	C	.	.	H	α-helix	trans	-58.4	-44.9	177.3	178.6	-87.9	0	0	0	112.2	L262 H263 M264 N270 H528 Y530	L262-Y266 WeakPolarHBondContact O-CB 3.17Å; L262-Y266 PolarHBondContact O-N 3.44Å; H263-Y266 WeakPolarHBondContact O-CB 3.46Å; H263-Y266 PolarHBondContact O-N 2.98Å; M264-Y266 VanDerWaalsContact C-N 3.32Å; M264-Y266 PolarHBondContact O-N 3.29Å; Y266-N270 WeakPolarHBondContact CD2-ND2 3.48Å; Y266-N270 HydrophobicContact CE1-CB 4.49Å; Y266-N270 HydrophobicContact CE2-CB 4.5Å; Y266-N270 WeakPolarHBondContact CE2-ND2 3.41Å; Y266-N270 WeakPolarHBondContact O-CB 3.31Å; Y266-N270 PolarHBondContact O-N 3.25Å; Y266-N270 PolarHBondContact O-ND2 2.91Å; Y266-H528 HydrophobicContact CD1-CB 3.87Å; Y266-H528 AromaticContact CD1-CG 3.85Å; Y266-H528 AromaticContact CD2-CE1 3.9Å; Y266-H528 AromaticContact CD2-ND1 3.79Å; Y266-H528 HydrophobicContact CE1-CB 3.78Å; Y266-H528 AromaticContact CE2-ND1 3.85Å; Y266-H528 HydrophobicContact CG-CB 4.41Å; Y266-H528 AromaticContact CG-CD2 3.93Å; Y266-H528 AromaticContact CG-CG 3.88Å; Y266-Y530 HydrophobicContact CE1-CD1 4.49Å; Y266-Y530 HydrophobicContact CE1-CE1 4.22Å
267	L	86.7	Confident	84.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-44.2	176.9	-74	175.2	0	0	0	112	F199 S229 I231 I240 H263 M264 K265 V271 L272 Y530	F199-L267 HydrophobicContact CE1-CD1 4.2Å; S229-L267 WeakPolarHBondContact OG-CD1 3.31Å; I231-L267 HydrophobicContact CD1-CD2 4.44Å; I240-L267 HydrophobicContact CG2-CD1 4.25Å; H263-L267 WeakPolarHBondContact O-CG 3.46Å; H263-L267 PolarHBondContact O-N 2.77Å; M264-L267 PolarHBondContact O-N 3.39Å; K265-L267 VanDerWaalsContact C-N 3.34Å; K265-L267 PolarHBondContact O-N 3.2Å; L267-V271 HydrophobicContact CD2-CG2 4.12Å; L267-V271 WeakPolarHBondContact O-CA 3.31Å; L267-V271 VanDerWaalsContact O-CB 3.29Å; L267-V271 WeakPolarHBondContact O-CB 3.35Å; L267-V271 PolarHBondContact O-N 2.64Å; L267-L272 PolarHBondContact O-N 3.37Å; L267-Y530 HydrophobicContact CD2-CD1 4.08Å; L267-Y530 HydrophobicContact CD2-CD2 4.49Å; L267-Y530 HydrophobicContact CD2-CG 3.88Å
268	L	88.6	Confident	84	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-63.5	-53.6	177.4	-70.9	162.8	0	0	0	111.1	I86 F107 Y130 Y197 F199 M264 K265 N270 L272 I273	I86-L268 HydrophobicContact CD1-CD1 3.41Å; I86-L268 VanDerWaalsContact CD1-CD1 3.41Å; I86-L268 HydrophobicContact CG1-CD1 4.22Å; F107-L268 HydrophobicContact CE1-CD1 4.37Å; Y130-L268 HydrophobicContact CD1-CD1 4.03Å; Y130-L268 HydrophobicContact CE1-CB 4.03Å; Y130-L268 HydrophobicContact CE1-CD1 3.95Å; Y130-L268 HydrophobicContact CE1-CG 4.44Å; Y197-L268 HydrophobicContact CD1-CD2 4.42Å; Y197-L268 HydrophobicContact CD2-CD2 4.46Å; Y197-L268 HydrophobicContact CG-CD2 4.21Å; F199-L268 HydrophobicContact CE2-CD1 4.19Å; F199-L268 HydrophobicContact CE2-CD2 4.16Å; F199-L268 HydrophobicContact CE2-CG 4.29Å; F199-L268 HydrophobicContact CZ-CD1 4.17Å; F199-L268 HydrophobicContact CZ-CD2 4.03Å; F199-L268 HydrophobicContact CZ-CG 3.91Å; M264-L268 WeakPolarHBondContact O-CG 3.36Å; M264-L268 PolarHBondContact O-N 3.02Å; K265-L268 PolarHBondContact O-N 2.94Å; L268-N270 PolarHBondContact O-N 3.12Å; L268-L272 HydrophobicContact CD2-CD1 3.95Å; L268-I273 HydrophobicContact CB-CD1 4.23Å; L268-I273 HydrophobicContact CD2-CD1 3.89Å; L268-I273 WeakPolarHBondContact O-CA 3.19Å; L268-I273 VanDerWaalsContact O-CB 3.3Å; L268-I273 WeakPolarHBondContact O-CB 3.47Å; L268-I273 PolarHBondContact O-N 2.89Å
269	D	84.5	Confident	83.6	Confident	25 Å²	25	25.9 Å²	25.9	13%	0.134	13%	0.131	C	C	.	.	I	π-helix	trans	-66.2	-37.7	-174.2	-77.8	-29.6	0	0	0	113	Y130 K265 Q274 T275	Y130-D269 PolarHBondContact OH-OD1 3.39Å; K265-D269 WeakPolarHBondContact CE-OD2 3.34Å; K265-D269 WeakPolarHBondContact CG-OD2 3.43Å; K265-D269 WeakPolarHBondContact O-CB 3.47Å; K265-D269 PolarHBondContact O-N 2.92Å; D269-Q274 CarbonylContact O-C 3.48Å; D269-Q274 WeakPolarHBondContact O-CA 3.38Å; D269-Q274 PolarHBondContact O-N 3.11Å; D269-T275 WeakPolarHBondContact CB-OG1 3.1Å; D269-T275 PolarHBondContact O-N 2.68Å; D269-T275 PolarHBondContact O-OG1 2.97Å; D269-T275 VanDerWaalsContact OD1-CG2 3.24Å; D269-T275 WeakPolarHBondContact OD1-CG2 3.48Å; D269-T275 PolarHBondContact OD1-OG1 2.98Å; D269-T275 VanDerWaalsContact OD1-OG1 3.06Å
270	N	80.6	Confident	83.1	Confident	56 Å²	56	28 Å²	28	30%	0.299	14%	0.136	S	C	.	.	I	π-helix	trans	-106.8	-27.8	-170.2	-61.4	-59.8	0	0	0	114.5	Y266 L268	Y266-N270 WeakPolarHBondContact CD2-ND2 3.48Å; Y266-N270 HydrophobicContact CE1-CB 4.49Å; Y266-N270 HydrophobicContact CE2-CB 4.5Å; Y266-N270 WeakPolarHBondContact CE2-ND2 3.41Å; Y266-N270 WeakPolarHBondContact O-CB 3.31Å; Y266-N270 PolarHBondContact O-N 3.25Å; Y266-N270 PolarHBondContact O-ND2 2.91Å; L268-N270 PolarHBondContact O-N 3.12Å
271	V	78.5	Confident	82.4	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.012	14%	0.141	C	C	.	.	I	π-helix	trans	-107.4	-56.6	-173.4	-171.4	0	0	0	0	111	I231 L267 Q274 Y530 I532	I231-V271 HydrophobicContact CD1-CB 4.47Å; I231-V271 HydrophobicContact CD1-CG1 3.71Å; L267-V271 HydrophobicContact CD2-CG2 4.12Å; L267-V271 WeakPolarHBondContact O-CA 3.31Å; L267-V271 VanDerWaalsContact O-CB 3.29Å; L267-V271 WeakPolarHBondContact O-CB 3.35Å; L267-V271 PolarHBondContact O-N 2.64Å; V271-Q274 PolarHBondContact O-NE2 2.67Å; V271-Y530 HydrophobicContact CB-CE2 4.5Å; V271-Y530 HydrophobicContact CG1-CD2 4.45Å; V271-Y530 HydrophobicContact CG1-CE2 3.91Å; V271-Y530 HydrophobicContact CG2-CD1 4.32Å; V271-Y530 HydrophobicContact CG2-CD2 4.29Å; V271-Y530 HydrophobicContact CG2-CE1 3.77Å; V271-Y530 HydrophobicContact CG2-CE2 3.72Å; V271-Y530 VanDerWaalsContact CG2-CZ 3.43Å; V271-I532 HydrophobicContact CG1-CD1 4.23Å
272	L	84.6	Confident	81.7	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.149	C	C	.	.	I	π-helix	trans	-83.4	-50.2	-168.9	-63	170.1	0	0	0	113.1	Y197 F199 I231 I240 L267 L268 W545 L549	Y197-L272 HydrophobicContact CD1-CD1 3.85Å; Y197-L272 HydrophobicContact CE1-CB 4.03Å; Y197-L272 HydrophobicContact CE1-CD1 3.96Å; Y197-L272 HydrophobicContact CE1-CD2 4.33Å; Y197-L272 HydrophobicContact CE1-CG 4.34Å; F199-L272 HydrophobicContact CZ-CD1 4.38Å; I231-L272 HydrophobicContact CD1-CD2 4.14Å; I231-L272 HydrophobicContact CG2-CD2 4.17Å; I240-L272 HydrophobicContact CD1-CD1 3.96Å; I240-L272 HydrophobicContact CG1-CD1 4.17Å; L267-L272 PolarHBondContact O-N 3.37Å; L268-L272 HydrophobicContact CD2-CD1 3.95Å; L272-W545 HydrophobicContact CD2-CB 4.38Å; L272-W545 HydrophobicContact CD2-CD2 3.96Å; L272-W545 HydrophobicContact CD2-CE3 3.87Å; L272-W545 HydrophobicContact CD2-CG 4.2Å; L272-W545 HydrophobicContact CD2-CZ3 4.4Å; L272-L549 WeakPolarHBondContact O-CD2 3.38Å
273	I	84.4	Confident	80.8	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	-103	-27.3	-173.4	-60.1	168.4	0	0	0	111.4	V84 M128 Y130 L268 T275 L278 L549 L552	V84-I273 HydrophobicContact CB-CD1 4.26Å; V84-I273 HydrophobicContact CG1-CD1 3.8Å; V84-I273 HydrophobicContact CG2-CD1 3.64Å; M128-I273 HydrophobicContact CE-CD1 4.43Å; M128-I273 HydrophobicContact CE-CG2 3.74Å; Y130-I273 HydrophobicContact CE1-CD1 3.93Å; L268-I273 HydrophobicContact CB-CD1 4.23Å; L268-I273 HydrophobicContact CD2-CD1 3.89Å; L268-I273 WeakPolarHBondContact O-CA 3.19Å; L268-I273 VanDerWaalsContact O-CB 3.3Å; L268-I273 WeakPolarHBondContact O-CB 3.47Å; L268-I273 PolarHBondContact O-N 2.89Å; I273-T275 HydrophobicContact CB-CG2 4.27Å; I273-T275 HydrophobicContact CG2-CG2 3.78Å; I273-T275 PolarHBondContact O-N 3.09Å; I273-L278 HydrophobicContact CG2-CD1 3.71Å; I273-L549 WeakPolarHBondContact O-CD1 3.29Å; I273-L552 HydrophobicContact CG2-CD2 3.75Å
274	Q	82	Confident	79.2	Confident	21 Å²	21	35.4 Å²	35.4	10%	0.098	17%	0.165	C	C	.	.			trans	56.7	52.9	177.4	-55.6	-177.9	-7.9	0	0	111.6	D269 V271 N276 H277 L278 L549	D269-Q274 CarbonylContact O-C 3.48Å; D269-Q274 WeakPolarHBondContact O-CA 3.38Å; D269-Q274 PolarHBondContact O-N 3.11Å; V271-Q274 PolarHBondContact O-NE2 2.67Å; Q274-N276 PolarHBondContact O-N 2.97Å; Q274-N276 VanDerWaalsContact O-N 3.15Å; Q274-H277 HydrophobicContact CB-CB 4.15Å; Q274-H277 WeakPolarHBondContact O-CA 3.25Å; Q274-H277 VanDerWaalsContact O-CB 3.31Å; Q274-H277 WeakPolarHBondContact O-CB 3.4Å; Q274-H277 PolarHBondContact O-N 3.1Å; Q274-L278 PolarHBondContact O-N 3.28Å; Q274-L549 HydrophobicContact CG-CD2 4.31Å
275	T	78.7	Confident	77.3	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-36.9	-170.5	51.3	0	0	0	0	112.9	M128 D269 I273 H277 L278 M279	M128-T275 HydrophobicContact CE-CG2 3.94Å; M128-T275 HydrophobicContact CG-CG2 3.69Å; M128-T275 HydrophobicContact SD-CG2 4.08Å; D269-T275 WeakPolarHBondContact CB-OG1 3.1Å; D269-T275 PolarHBondContact O-N 2.68Å; D269-T275 PolarHBondContact O-OG1 2.97Å; D269-T275 VanDerWaalsContact OD1-CG2 3.24Å; D269-T275 WeakPolarHBondContact OD1-CG2 3.48Å; D269-T275 PolarHBondContact OD1-OG1 2.98Å; D269-T275 VanDerWaalsContact OD1-OG1 3.06Å; I273-T275 HydrophobicContact CB-CG2 4.27Å; I273-T275 HydrophobicContact CG2-CG2 3.78Å; I273-T275 PolarHBondContact O-N 3.09Å; T275-H277 VanDerWaalsContact C-N 3.29Å; T275-H277 PolarHBondContact O-N 2.94Å; T275-L278 PolarHBondContact O-N 3.16Å; T275-M279 VanDerWaalsContact O-CG 3.31Å; T275-M279 WeakPolarHBondContact O-CG 3.2Å; T275-M279 PolarHBondContact O-N 3.27Å
276	N	75.8	Confident	74.7	Confident	103 Å²	103	47.9 Å²	47.9	55%	0.551	22%	0.223	S	C	*	.	H	α-helix	trans	-59.4	-37.1	173.4	-74.9	-29.4	0	0	0	113.3	Q274 K280	Q274-N276 PolarHBondContact O-N 2.97Å; Q274-N276 VanDerWaalsContact O-N 3.15Å; N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.42Å; N276-K280 PolarHBondContact O-N 3.37Å
277	H	75.9	Confident	72.1	Confident	41 Å²	41	50.6 Å²	50.6	19%	0.19	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-41.9	176.6	-173.5	-73	0	0	0	110.8	Q274 T275 M279 K280 L281 L291	Q274-H277 HydrophobicContact CB-CB 4.15Å; Q274-H277 WeakPolarHBondContact O-CA 3.25Å; Q274-H277 VanDerWaalsContact O-CB 3.31Å; Q274-H277 WeakPolarHBondContact O-CB 3.4Å; Q274-H277 PolarHBondContact O-N 3.1Å; T275-H277 VanDerWaalsContact C-N 3.29Å; T275-H277 PolarHBondContact O-N 2.94Å; H277-M279 PolarHBondContact O-N 3.5Å; H277-K280 WeakPolarHBondContact O-CB 3.36Å; H277-K280 PolarHBondContact O-N 2.83Å; H277-L281 PolarHBondContact O-N 3.28Å; H277-L281 VanDerWaalsContact O-N 3.11Å; H277-L291 WeakPolarHBondContact NE2-CD2 3.23Å
278	L	79.2	Confident	69.3	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-45.8	176.1	-59.3	-177.8	0	0	0	111.6	I126 I273 Q274 T275 K280 L281 V282 L552 R553 I556	I126-L278 VanDerWaalsContact CD1-C 3.43Å; I126-L278 HydrophobicContact CD1-CB 3.66Å; I126-L278 VanDerWaalsContact CD1-O 3.31Å; I126-L278 WeakPolarHBondContact CD1-O 3.37Å; I273-L278 HydrophobicContact CG2-CD1 3.71Å; Q274-L278 PolarHBondContact O-N 3.28Å; T275-L278 PolarHBondContact O-N 3.16Å; L278-K280 VanDerWaalsContact C-N 3.26Å; L278-K280 PolarHBondContact O-N 3.26Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 WeakPolarHBondContact O-CB 3.44Å; L278-L281 PolarHBondContact O-N 3.03Å; L278-V282 PolarHBondContact O-N 2.73Å; L278-L552 HydrophobicContact CD1-CD2 3.52Å; L278-L552 HydrophobicContact CD1-CG 4.07Å; L278-R553 HydrophobicContact CD2-CB 4.23Å; L278-I556 HydrophobicContact CB-CD1 4.02Å; L278-I556 HydrophobicContact CD1-CD1 4.01Å; L278-I556 HydrophobicContact CD2-CD1 3.76Å; L278-I556 HydrophobicContact CG-CD1 4.14Å
279	M	76.8	Confident	66.4	Low	43 Å²	43	62.5 Å²	62.5	21%	0.212	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-39.1	175.9	-72.9	-66.9	-77.6	0	0	112.2	I126 T275 H277 L281 R283	I126-M279 HydrophobicContact CB-SD 3.51Å; I126-M279 VanDerWaalsContact CB-SD 3.51Å; I126-M279 HydrophobicContact CG1-SD 4.07Å; I126-M279 PolarHBondContact N-SD 3.5Å; I126-M279 VanDerWaalsContact O-SD 3.33Å; T275-M279 VanDerWaalsContact O-CG 3.31Å; T275-M279 WeakPolarHBondContact O-CG 3.2Å; T275-M279 PolarHBondContact O-N 3.27Å; H277-M279 PolarHBondContact O-N 3.5Å; M279-L281 VanDerWaalsContact C-N 3.33Å; M279-L281 PolarHBondContact O-N 3.43Å; M279-R283 WeakPolarHBondContact O-CG 3.42Å; M279-R283 PolarHBondContact O-N 2.97Å
280	K	73.8	Confident	63.8	Low	95 Å²	95	68.4 Å²	68.4	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-34.1	176	-75	174.4	-174.9	-179.8	0	112.2	N276 H277 L278 R283 K284 S292	N276-K280 VanDerWaalsContact O-CG 3.32Å; N276-K280 WeakPolarHBondContact O-CG 3.42Å; N276-K280 PolarHBondContact O-N 3.37Å; H277-K280 WeakPolarHBondContact O-CB 3.36Å; H277-K280 PolarHBondContact O-N 2.83Å; L278-K280 VanDerWaalsContact C-N 3.26Å; L278-K280 PolarHBondContact O-N 3.26Å; K280-R283 CarbonylContact O-C 3.4Å; K280-R283 PolarHBondContact O-N 3.07Å; K280-K284 WeakPolarHBondContact O-CA 3.46Å; K280-K284 VanDerWaalsContact O-CB 3.23Å; K280-K284 WeakPolarHBondContact O-CB 3.32Å; K280-K284 PolarHBondContact O-N 3.11Å; K280-S292 PolarHBondContact NZ-OG 3.25Å
281	L	72.8	Confident	61.5	Low	20 Å²	20	69.5 Å²	69.5	11%	0.105	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-42.2	179.6	-72.3	168.3	0	0	0	112.1	H277 L278 M279 R283 K284 R553 I556 E557	H277-L281 PolarHBondContact O-N 3.28Å; H277-L281 VanDerWaalsContact O-N 3.11Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 WeakPolarHBondContact O-CB 3.44Å; L278-L281 PolarHBondContact O-N 3.03Å; M279-L281 VanDerWaalsContact C-N 3.33Å; M279-L281 PolarHBondContact O-N 3.43Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 3.44Å; L281-K284 PolarHBondContact O-N 3.11Å; L281-R553 HydrophobicContact CD1-CG 3.64Å; L281-I556 HydrophobicContact CB-CG2 4.5Å; L281-E557 HydrophobicContact CD1-CG 4.32Å; L281-E557 HydrophobicContact CD2-CG 4.35Å
282	V	74.5	Confident	59.1	Low	28 Å²	28	73 Å²	73	17%	0.17	38%	0.375	C	S	.	.	H	α-helix	trans	-67.4	-36.4	176.4	-179.4	0	0	0	0	111.2	I80 D124 I126 L278 I556	I80-V282 HydrophobicContact CD1-CG2 4.19Å; D124-V282 HydrophobicContact CB-CG1 4.28Å; D124-V282 WeakPolarHBondContact O-CG1 3.45Å; I126-V282 HydrophobicContact CD1-CG2 3.68Å; I126-V282 HydrophobicContact CG1-CB 4.45Å; I126-V282 HydrophobicContact CG1-CG2 3.59Å; L278-V282 PolarHBondContact O-N 2.73Å; V282-I556 HydrophobicContact CG2-CG2 3.55Å
283	R	67.6	Low	56.6	Low	115 Å²	115	76.5 Å²	76.5	43%	0.434	40%	0.398	S	S	.	.	H	α-helix	trans	-79.4	-17	177.9	-68.1	-179.9	175	-169.2	-7.7	114.5	D121 S123 M279 K280 L281 Y285 D286	D121-R283 IonicContact OD2-NH2 2.71Å; D121-R283 PolarHBondContact OD2-NH2 2.95Å; D121-R283 VanDerWaalsContact OD2-NH2 3.11Å; S123-R283 PolarHBondContact OG-NH2 3.41Å; M279-R283 WeakPolarHBondContact O-CG 3.42Å; M279-R283 PolarHBondContact O-N 2.97Å; K280-R283 CarbonylContact O-C 3.4Å; K280-R283 PolarHBondContact O-N 3.07Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 3.44Å; R283-Y285 PolarHBondContact O-N 3.37Å; R283-D286 PolarHBondContact O-N 2.9Å; R283-D286 VanDerWaalsContact O-N 3.1Å
284	K	52.9	Low	54	Low	70 Å²	70	78 Å²	78	30%	0.304	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.9	-160.1	-152.7	178.7	172.6	-171.6	0	115	K280 L281 L291	K280-K284 WeakPolarHBondContact O-CA 3.46Å; K280-K284 VanDerWaalsContact O-CB 3.23Å; K280-K284 WeakPolarHBondContact O-CB 3.32Å; K280-K284 PolarHBondContact O-N 3.11Å; L281-K284 PolarHBondContact O-N 3.11Å; K284-L291 VanDerWaalsContact NZ-CD1 3.32Å
285	Y	50.1	Low	51.6	Low	156 Å²	156	84.2 Å²	84.2	61%	0.612	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.3	179.6	-83	-73.8	0	0	0	115.6	R283	R283-Y285 PolarHBondContact O-N 3.37Å
286	D	35.7	Very low	49.4	Very low	149 Å²	149	86.3 Å²	86.3	80%	0.797	45%	0.45	S	S	*	.	S	Bend	trans	-81.6	-17.2	173.6	-85.6	-17.7	0	0	0	113.4	R283	R283-D286 PolarHBondContact O-N 2.9Å; R283-D286 VanDerWaalsContact O-N 3.1Å
287	N	30.1	Very low	47.6	Very low	122 Å²	122	83.1 Å²	83.1	65%	0.652	43%	0.433	S	S	*	.	S	Bend	trans	-166.8	138.6	165.8	-86.5	-50.9	0	0	0	109.2	I289	N287-I289 HydrophobicContact CB-CD1 4.38Å; N287-I289 HydrophobicContact CB-CG1 4.1Å; N287-I289 PolarHBondContact O-N 3.37Å
288	S	28.1	Very low	45.8	Very low	118 Å²	118	85.5 Å²	85.5	83%	0.825	44%	0.444	S	S	*	.			trans	-66	77.8	173.1	59.2	0	0	0	0	110.6	N290	S288-N290 PolarHBondContact O-N 3.43Å
289	I	28.1	Very low	43.8	Very low	131 Å²	131	86.8 Å²	86.8	67%	0.672	45%	0.45	S	S	*	.			trans	-88.1	114.5	176.6	-61.8	170.2	0	0	0	106.7	N287 L291	N287-I289 HydrophobicContact CB-CD1 4.38Å; N287-I289 HydrophobicContact CB-CG1 4.1Å; N287-I289 PolarHBondContact O-N 3.37Å; I289-L291 PolarHBondContact O-N 3.16Å; I289-L291 VanDerWaalsContact O-N 3.11Å
290	N	28.8	Very low	42	Very low	150 Å²	150	87.1 Å²	87.1	80%	0.802	46%	0.457	S	S	*	.			trans	-40.9	118.4	170.1	-71	-28.9	0	0	0	109.2	S288 S292	S288-N290 PolarHBondContact O-N 3.43Å; N290-S292 PolarHBondContact O-N 3.1Å
291	L	33.6	Very low	40.5	Very low	78 Å²	78	87.5 Å²	87.5	41%	0.408	46%	0.459	S	S	.	.			trans	-54	112.1	166.8	-84.5	110	0	0	0	106.5	H277 K284 I289 P293	H277-L291 WeakPolarHBondContact NE2-CD2 3.23Å; K284-L291 VanDerWaalsContact NZ-CD1 3.32Å; I289-L291 PolarHBondContact O-N 3.16Å; I289-L291 VanDerWaalsContact O-N 3.11Å; L291-P293 WeakPolarHBondContact O-CD 3.49Å
292	S	28.3	Very low	39.1	Very low	77 Å²	77	88 Å²	88	54%	0.538	46%	0.461	S	S	.	.			trans	-55.6	115.3	166.7	57.9	0	0	0	0	105.8	K280 N290 G294	K280-S292 PolarHBondContact NZ-OG 3.25Å; N290-S292 PolarHBondContact O-N 3.1Å; S292-G294 VanDerWaalsContact C-N 3.28Å; S292-G294 PolarHBondContact O-N 3.15Å
293	P	31.2	Very low	37.9	Very low	74 Å²	74	87.7 Å²	87.7	48%	0.481	46%	0.458	S	S	.	.			trans	-68.2	101.9	171.4	28.4	-26.6	0	0	0	104.2	L291 K301	L291-P293 WeakPolarHBondContact O-CD 3.49Å; P293-K301 HydrophobicContact CB-CG 4.45Å
294	G	29.9	Very low	36.9	Very low	33 Å²	33	88.8 Å²	88.8	34%	0.34	47%	0.473	S	S	.	.			trans	-48.3	151.2	142.6	0	0	0	0	0	106.7	S292 Y296	S292-G294 VanDerWaalsContact C-N 3.28Å; S292-G294 PolarHBondContact O-N 3.15Å; G294-Y296 WeakPolarHBondContact O-CA 3.31Å; G294-Y296 WeakPolarHBondContact O-CB 3.3Å; G294-Y296 WeakPolarHBondContact O-CD2 3.43Å; G294-Y296 PolarHBondContact O-N 2.8Å
295	Q	32	Very low	37	Very low	152 Å²	152	93 Å²	93	71%	0.71	49%	0.491	S	S	*	.	S	Bend	trans	-55.8	71.5	-175.3	-75.4	163.6	-34.5	0	0	113
296	Y	32.2	Very low	37.8	Very low	56 Å²	56	87.1 Å²	87.1	22%	0.22	47%	0.472	C	S	.	.			trans	-120.6	133.6	-175.4	-66.8	-66.4	0	0	0	104.1	G294 S300 M518	G294-Y296 WeakPolarHBondContact O-CA 3.31Å; G294-Y296 WeakPolarHBondContact O-CB 3.3Å; G294-Y296 WeakPolarHBondContact O-CD2 3.43Å; G294-Y296 PolarHBondContact O-N 2.8Å; Y296-S300 PolarHBondContact O-OG 2.88Å; Y296-M518 HydrophobicContact CE1-CE 4.25Å; Y296-M518 VanDerWaalsContact OH-CE 3.26Å; Y296-M518 WeakPolarHBondContact OH-CE 3.29Å
297	N	38.5	Very low	39.4	Very low	35 Å²	35	81.5 Å²	81.5	19%	0.187	44%	0.442	C	S	.	.			trans	-32.9	151.3	-170.3	-91.7	-30.3	0	0	0	115.2	I299 S300 Q514 K516	N297-I299 HydrophobicContact CB-CB 4.23Å; N297-I299 HydrophobicContact CB-CG1 4.09Å; N297-I299 PolarHBondContact O-N 3.28Å; N297-S300 PolarHBondContact O-N 3.07Å; N297-S300 PolarHBondContact O-OG 3.26Å; N297-Q514 HydrophobicContact CB-CB 4.5Å; N297-Q514 VanDerWaalsContact CB-OE1 3.31Å; N297-Q514 PolarHBondContact ND2-OE1 2.98Å; N297-K516 VanDerWaalsContact OD1-CD 3.22Å; N297-K516 WeakPolarHBondContact OD1-CD 3.37Å; N297-K516 WeakPolarHBondContact OD1-CE 3.46Å; N297-K516 PolarHBondContact OD1-NZ 2.75Å
298	E	38.2	Very low	41.5	Very low	91 Å²	91	79 Å²	79	43%	0.425	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-27.5	168.4	-62.3	-172.5	141.3	0	0	112.2	K301 I302 V467	E298-K301 WeakPolarHBondContact O-CB 3.35Å; E298-K301 PolarHBondContact O-N 3.45Å; E298-I302 WeakPolarHBondContact O-CD1 3.45Å; E298-I302 VanDerWaalsContact O-CG1 3.29Å; E298-I302 WeakPolarHBondContact O-CG1 3.34Å; E298-I302 PolarHBondContact O-N 3.41Å; E298-V467 HydrophobicContact CB-CB 4.41Å; E298-V467 HydrophobicContact CB-CG1 3.64Å; E298-V467 HydrophobicContact CB-CG2 3.91Å; E298-V467 HydrophobicContact CG-CG1 4.26Å; E298-V467 HydrophobicContact CG-CG2 3.95Å; E298-V467 WeakPolarHBondContact OE2-CG1 3.19Å
299	I	36.8	Very low	44	Very low	29 Å²	29	74.6 Å²	74.6	15%	0.149	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-43.8	172.6	-41	-157.7	0	0	0	114.4	N297 K301 I302 I303 Y471 S508	N297-I299 HydrophobicContact CB-CB 4.23Å; N297-I299 HydrophobicContact CB-CG1 4.09Å; N297-I299 PolarHBondContact O-N 3.28Å; I299-K301 PolarHBondContact O-N 3.35Å; I299-I302 PolarHBondContact O-N 2.97Å; I299-I302 VanDerWaalsContact O-N 3.07Å; I299-I303 HydrophobicContact CG2-CD1 4.22Å; I299-I303 PolarHBondContact O-N 3.41Å; I299-Y471 WeakPolarHBondContact CA-OH 3.49Å; I299-Y471 HydrophobicContact CB-CE1 4.38Å; I299-Y471 HydrophobicContact CB-CE2 4.48Å; I299-Y471 VanDerWaalsContact CB-OH 3.22Å; I299-Y471 WeakPolarHBondContact CB-OH 3.39Å; I299-Y471 HydrophobicContact CD1-CD1 4.08Å; I299-Y471 HydrophobicContact CD1-CE1 3.28Å; I299-Y471 HydrophobicContact CG1-CE1 3.56Å; I299-Y471 VanDerWaalsContact CG1-CZ 3.47Å; I299-Y471 WeakPolarHBondContact CG1-OH 3.29Å; I299-Y471 HydrophobicContact CG2-CE1 4.31Å; I299-Y471 HydrophobicContact CG2-CE2 3.74Å; I299-Y471 WeakPolarHBondContact CG2-OH 3.27Å; I299-S508 WeakPolarHBondContact CG2-OG 3.4Å
300	S	38	Very low	46.7	Very low	50 Å²	50	68.3 Å²	68.3	35%	0.35	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.1	179.7	64.7	0	0	0	0	113	Y296 N297 I302	Y296-S300 PolarHBondContact O-OG 2.88Å; N297-S300 PolarHBondContact O-N 3.07Å; N297-S300 PolarHBondContact O-OG 3.26Å; S300-I302 VanDerWaalsContact C-N 3.31Å
301	K	42.2	Very low	49.3	Very low	104 Å²	104	62.1 Å²	62.1	45%	0.452	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.3	172.9	-65	-176.7	179.2	-179.9	0	113.2	P293 E298 I299	P293-K301 HydrophobicContact CB-CG 4.45Å; E298-K301 WeakPolarHBondContact O-CB 3.35Å; E298-K301 PolarHBondContact O-N 3.45Å; I299-K301 PolarHBondContact O-N 3.35Å
302	I	44.7	Very low	51.9	Low	29 Å²	29	60.7 Å²	60.7	15%	0.149	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-26.6	-176.4	-64.6	164.3	0	0	0	110.8	E298 I299 S300 D304 I460 V467 Y471 L473	E298-I302 WeakPolarHBondContact O-CD1 3.45Å; E298-I302 VanDerWaalsContact O-CG1 3.29Å; E298-I302 WeakPolarHBondContact O-CG1 3.34Å; E298-I302 PolarHBondContact O-N 3.41Å; I299-I302 PolarHBondContact O-N 2.97Å; I299-I302 VanDerWaalsContact O-N 3.07Å; S300-I302 VanDerWaalsContact C-N 3.31Å; I302-D304 PolarHBondContact O-N 3.35Å; I302-I460 HydrophobicContact CD1-CB 4.12Å; I302-I460 HydrophobicContact CD1-CD1 3.39Å; I302-I460 HydrophobicContact CD1-CG1 4.33Å; I302-I460 HydrophobicContact CD1-CG2 4.02Å; I302-I460 HydrophobicContact CG1-CB 4.43Å; I302-I460 HydrophobicContact CG1-CD1 4.2Å; I302-I460 HydrophobicContact CG1-CG2 3.8Å; I302-I460 HydrophobicContact CG2-CD1 4.1Å; I302-I460 HydrophobicContact CG2-CG2 4.21Å; I302-V467 HydrophobicContact CD1-CG1 3.88Å; I302-Y471 WeakPolarHBondContact CD1-OH 3.44Å; I302-L473 HydrophobicContact CG2-CB 4.32Å; I302-L473 HydrophobicContact CG2-CD1 3.99Å
303	I	49.7	Very low	54.6	Low	22 Å²	22	57.1 Å²	57.1	11%	0.113	31%	0.305	C	S	.	.			trans	-92.2	81.5	-179.8	-55.4	175.4	0	0	0	108.9	I299 K305 L473 S508	I299-I303 HydrophobicContact CG2-CD1 4.22Å; I299-I303 PolarHBondContact O-N 3.41Å; I303-K305 WeakPolarHBondContact CG2-O 3.08Å; I303-K305 PolarHBondContact O-N 2.86Å; I303-L473 HydrophobicContact CD1-CD1 3.79Å; I303-L473 HydrophobicContact CD1-CD2 4.28Å; I303-L473 HydrophobicContact CG1-CD1 3.32Å; I303-L473 HydrophobicContact CG1-CD2 3.76Å; I303-L473 HydrophobicContact CG1-CG 4.14Å; I303-L473 HydrophobicContact CG2-CD2 4.47Å; I303-S508 VanDerWaalsContact CD1-O 3.3Å; I303-S508 WeakPolarHBondContact CD1-O 3.32Å; I303-S508 WeakPolarHBondContact CD1-OG 3.36Å
304	D	45.3	Very low	57.1	Low	139 Å²	139	54.8 Å²	54.8	74%	0.743	29%	0.289	S	S	*	.	S	Bend	trans	-62.9	-25.7	176.7	-86.3	-26.3	0	0	0	112.5	I302	I302-D304 PolarHBondContact O-N 3.35Å
305	K	55.9	Low	59.8	Low	158 Å²	158	53.3 Å²	53.3	69%	0.687	27%	0.273	S	S	*	.	S	Bend	trans	-144.6	121.9	172.9	-67.5	-174.3	179.4	-177.5	0	110.7	I303	I303-K305 WeakPolarHBondContact CG2-O 3.08Å; I303-K305 PolarHBondContact O-N 2.86Å
306	P	65.8	Low	62.3	Low	33 Å²	33	46.6 Å²	46.6	21%	0.214	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-64.8	161.8	169.6	30.7	-34.6	0	0	0	110.1
307	L	70.3	Confident	64.8	Low	30 Å²	30	44 Å²	44	16%	0.157	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-50.6	150	173.1	-89	159.1	0	0	0	111.3	P431 L433 I509 L510 R554	L307-P431 HydrophobicContact CD2-CB 4.39Å; L307-L433 HydrophobicContact CD1-CB 4.26Å; L307-L433 HydrophobicContact CD1-CD1 4.15Å; L307-I509 HydrophobicContact CD1-CB 4.37Å; L307-I509 HydrophobicContact CD1-CG2 3.47Å; L307-I509 VanDerWaalsContact CD1-CG2 3.47Å; L307-I509 HydrophobicContact CG-CG2 3.75Å; L307-I509 PolarHBondContact N-O 2.99Å; L307-L510 HydrophobicContact CD1-CD2 3.88Å; L307-R554 PolarHBondContact O-NH1 2.91Å; L307-R554 VanDerWaalsContact O-NH1 3.09Å; L307-R554 PolarHBondContact O-NH2 3.08Å
308	S	74.3	Confident	67	Low	71 Å²	71	42.3 Å²	42.3	50%	0.497	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-54.7	146.2	172.2	49.6	0	0	0	0	110.3	S310	S308-S310 PolarHBondContact O-N 2.79Å
309	V	81.2	Confident	69	Low	24 Å²	24	38 Å²	38	15%	0.145	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.8	129.3	-175.8	-169.2	0	0	0	0	109.6	R554 E557 C558 F627 Y631	V309-R554 HydrophobicContact CG1-CB 3.98Å; V309-R554 HydrophobicContact CG1-CG 4.37Å; V309-E557 HydrophobicContact CG2-CB 4.24Å; V309-C558 WeakPolarHBondContact CG1-SG 3.17Å; V309-F627 HydrophobicContact CG1-CE2 3.57Å; V309-F627 HydrophobicContact CG1-CZ 4.02Å; V309-Y631 HydrophobicContact CG1-CD2 4.45Å; V309-Y631 WeakPolarHBondContact O-CE2 3.35Å
310	S	83.8	Confident	71.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.			trans	-146	155	173.4	-177.3	0	0	0	0	112.1	S308 I312 Y313 P431 Y631	S308-S310 PolarHBondContact O-N 2.79Å; S310-I312 WeakPolarHBondContact CB-O 3.24Å; S310-I312 PolarHBondContact OG-N 3.03Å; S310-I312 PolarHBondContact OG-O 3.23Å; S310-Y313 PolarHBondContact N-OH 3.22Å; S310-Y313 WeakPolarHBondContact O-CE2 3.43Å; S310-Y313 VanDerWaalsContact O-CZ 3.3Å; S310-Y313 PolarHBondContact O-OH 2.8Å; S310-Y313 VanDerWaalsContact O-OH 3.13Å; S310-P431 VanDerWaalsContact CB-CD 3.45Å; S310-P431 WeakPolarHBondContact OG-CD 3.34Å; S310-Y631 VanDerWaalsContact CA-CE2 3.48Å; S310-Y631 PolarHBondContact OG-OH 3.44Å
311	S	84.3	Confident	72.6	Confident	19 Å²	19	34.7 Å²	34.7	13%	0.133	18%	0.182	C	C	.	.	S	Bend	trans	-84.1	-14	165.9	69	0	0	0	0	112.6	V366 Q367 Y631	S311-V366 CarbonylContact O-C 3.48Å; S311-V366 VanDerWaalsContact O-CA 3.26Å; S311-V366 WeakPolarHBondContact O-CA 3.31Å; S311-Q367 PolarHBondContact O-N 3.06Å; S311-Y631 VanDerWaalsContact CB-CE1 3.49Å; S311-Y631 WeakPolarHBondContact OG-CE1 3.45Å
312	I	86.6	Confident	73.7	Confident	48 Å²	48	33.1 Å²	33.1	25%	0.246	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.1	178.5	-51.8	173	0	0	0	108.9	S310 Q367 N430	S310-I312 WeakPolarHBondContact CB-O 3.24Å; S310-I312 PolarHBondContact OG-N 3.03Å; S310-I312 PolarHBondContact OG-O 3.23Å; I312-Q367 WeakPolarHBondContact CA-O 3.47Å; I312-Q367 HydrophobicContact CG1-CB 4.48Å; I312-N430 HydrophobicContact CB-CB 4.44Å; I312-N430 HydrophobicContact CG2-CB 4.37Å; I312-N430 VanDerWaalsContact CG2-ND2 3.3Å; I312-N430 WeakPolarHBondContact CG2-ND2 3.42Å
313	Y	85.2	Confident	74.3	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.8	175.7	-63.7	-83.3	0	0	0	110.2	S310 V366 Q367 V368 D369 P431 L510 W550	S310-Y313 PolarHBondContact N-OH 3.22Å; S310-Y313 WeakPolarHBondContact O-CE2 3.43Å; S310-Y313 VanDerWaalsContact O-CZ 3.3Å; S310-Y313 PolarHBondContact O-OH 2.8Å; S310-Y313 VanDerWaalsContact O-OH 3.13Å; Y313-V366 HydrophobicContact CD2-CG1 3.72Å; Y313-V366 HydrophobicContact CE2-CG1 3.72Å; Y313-Q367 PolarHBondContact N-O 2.94Å; Y313-V368 WeakPolarHBondContact O-CA 3.34Å; Y313-D369 PolarHBondContact O-N 3.24Å; Y313-P431 HydrophobicContact CD1-CB 4.49Å; Y313-P431 HydrophobicContact CD1-CG 3.75Å; Y313-P431 HydrophobicContact CE1-CG 3.83Å; Y313-L510 HydrophobicContact CD1-CD2 3.41Å; Y313-L510 VanDerWaalsContact CD1-CD2 3.41Å; Y313-L510 HydrophobicContact CD2-CD2 3.97Å; Y313-L510 HydrophobicContact CE1-CD2 3.42Å; Y313-L510 VanDerWaalsContact CE1-CD2 3.42Å; Y313-L510 HydrophobicContact CE2-CD2 3.97Å; Y313-L510 HydrophobicContact CG-CD2 3.69Å; Y313-W550 HydrophobicContact CE2-CH2 4.46Å; Y313-W550 HydrophobicContact CE2-CZ2 4.42Å
314	D	84.8	Confident	74.5	Confident	26 Å²	26	40 Å²	40	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.4	178	-66.9	-18.6	0	0	0	108.9	Y371 N430 P431 G432 L433	D314-Y371 HydrophobicContact CB-CD2 4.2Å; D314-Y371 HydrophobicContact CB-CE2 3.85Å; D314-N430 PolarHBondContact OD2-ND2 3.02Å; D314-P431 PolarHBondContact N-O 3.33Å; D314-G432 CarbonylContact O-C 3.5Å; D314-G432 VanDerWaalsContact O-CA 3.27Å; D314-G432 WeakPolarHBondContact O-CA 3.33Å; D314-L433 PolarHBondContact O-N 3.12Å
315	V	85.2	Confident	74.5	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.2	-179.8	-176	0	0	0	0	109.6	V317 V368 D369 F370 Y371 L433 L435 I506	V315-V317 HydrophobicContact CG1-CG2 4.17Å; V315-V368 HydrophobicContact CG2-CG1 3.71Å; V315-D369 PolarHBondContact N-O 3.41Å; V315-F370 HydrophobicContact CB-CD1 4.02Å; V315-F370 HydrophobicContact CB-CE1 4.05Å; V315-F370 HydrophobicContact CG1-CD1 4.21Å; V315-F370 HydrophobicContact CG1-CE1 4.12Å; V315-F370 HydrophobicContact CG2-CE1 4.43Å; V315-F370 WeakPolarHBondContact O-CA 3.46Å; V315-Y371 PolarHBondContact O-N 2.89Å; V315-L433 CarbonylContact C-O 3.55Å; V315-L433 WeakPolarHBondContact CA-O 3.46Å; V315-L433 HydrophobicContact CG1-CD2 4.25Å; V315-L433 HydrophobicContact CG2-CB 4.34Å; V315-L433 HydrophobicContact CG2-CD2 4.25Å; V315-L435 HydrophobicContact CG1-CD1 3.94Å; V315-L435 HydrophobicContact CG1-CG 4.38Å; V315-I506 HydrophobicContact CG1-CD1 4.12Å; V315-I506 HydrophobicContact CG1-CG1 4.46Å
316	T	85	Confident	74.1	Confident	11 Å²	11	28.8 Å²	28.8	7%	0.067	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.9	174.3	-55	0	0	0	0	110	Y371 L433 H434 L435	T316-Y371 WeakPolarHBondContact CA-O 3.23Å; T316-L433 PolarHBondContact N-O 3.13Å; T316-H434 VanDerWaalsContact CG2-NE2 3.33Å; T316-H434 WeakPolarHBondContact CG2-NE2 3.07Å; T316-H434 CarbonylContact O-C 3.09Å; T316-H434 WeakPolarHBondContact O-CA 3.44Å; T316-L435 PolarHBondContact O-N 2.8Å
317	V	84.9	Confident	73	Confident	1 Å²	1	32 Å²	32	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	112.8	178.5	178.7	0	0	0	0	109.6	V315 L351 Y371 S372 Q373 L435 L437	V315-V317 HydrophobicContact CG1-CG2 4.17Å; V317-L351 HydrophobicContact CB-CD1 3.67Å; V317-L351 HydrophobicContact CG1-CD1 4.11Å; V317-L351 HydrophobicContact CG2-CD1 3.68Å; V317-L351 HydrophobicContact CG2-CD2 4.1Å; V317-Y371 PolarHBondContact N-O 2.92Å; V317-S372 CarbonylContact O-C 3.42Å; V317-S372 VanDerWaalsContact O-CA 3.23Å; V317-S372 WeakPolarHBondContact O-CA 3.11Å; V317-Q373 PolarHBondContact O-N 3.49Å; V317-L435 CarbonylContact C-O 3.53Å; V317-L435 WeakPolarHBondContact CA-O 3.44Å; V317-L435 HydrophobicContact CG2-CB 4.41Å; V317-L437 HydrophobicContact CG1-CD1 3.14Å; V317-L437 HydrophobicContact CG1-CG 3.85Å
318	T	84.5	Confident	71.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.9	174.9	-53.8	0	0	0	0	110.2	L320 Q373 L375 L413 H434 L435 L437	T318-L320 HydrophobicContact CG2-CD2 4.4Å; T318-Q373 CarbonylContact C-O 3.55Å; T318-Q373 VanDerWaalsContact CA-O 3.23Å; T318-Q373 WeakPolarHBondContact CA-O 3.48Å; T318-L375 HydrophobicContact CG2-CD1 4.02Å; T318-L375 HydrophobicContact CG2-CG 4.05Å; T318-L413 HydrophobicContact CG2-CD2 3.75Å; T318-H434 PolarHBondContact OG1-CE1 3.25Å; T318-H434 PolarHBondContact OG1-ND1 3.24Å; T318-L435 PolarHBondContact N-O 3.31Å; T318-L437 PolarHBondContact O-N 3.44Å
319	V	81.2	Confident	70.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121	172.6	-171.8	0	0	0	0	109.6	T321 M343 P347 Q373 L375 L437 L439	V319-T321 HydrophobicContact CG1-CG2 3.71Å; V319-M343 HydrophobicContact CG2-SD 4.37Å; V319-P347 HydrophobicContact CG2-CG 3.81Å; V319-Q373 PolarHBondContact N-O 3.32Å; V319-L375 PolarHBondContact O-N 3.47Å; V319-L437 HydrophobicContact CG2-CD1 4.14Å; V319-L439 HydrophobicContact CG1-CD1 3.35Å; V319-L439 HydrophobicContact CG1-CG 4.2Å
320	L	79.4	Confident	68.4	Low	4 Å²	4	41.5 Å²	41.5	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124.1	174	-66.7	178.2	0	0	0	110	T318 L375 V378 L409 I436 L437 L438	T318-L320 HydrophobicContact CG2-CD2 4.4Å; L320-L375 HydrophobicContact CD2-CB 3.82Å; L320-L375 HydrophobicContact CD2-CD1 3.67Å; L320-L375 HydrophobicContact CD2-CG 4.25Å; L320-V378 HydrophobicContact CD2-CB 4.44Å; L320-V378 HydrophobicContact CD2-CG1 4.15Å; L320-L409 HydrophobicContact CD1-CD1 4Å; L320-L409 HydrophobicContact CD1-CD2 3.87Å; L320-L409 HydrophobicContact CD2-CD2 3.93Å; L320-I436 HydrophobicContact CD1-CG2 3.41Å; L320-I436 VanDerWaalsContact CD1-CG2 3.41Å; L320-I436 HydrophobicContact CG-CG2 3.92Å; L320-L437 PolarHBondContact N-O 3.37Å; L320-L438 HydrophobicContact CB-CD2 4.21Å; L320-L438 HydrophobicContact CD1-CD2 3.4Å; L320-L438 HydrophobicContact CD1-CG 4.48Å; L320-L438 HydrophobicContact CG-CD2 4.34Å
321	T	70.3	Confident	66.4	Low	7 Å²	7	50 Å²	50	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.9	-175.8	71.3	0	0	0	0	111.4	V319 L344 R374 L375 G377 V378	V319-T321 HydrophobicContact CG1-CG2 3.71Å; T321-L344 HydrophobicContact CG2-CD2 3.29Å; T321-R374 HydrophobicContact CG2-CG 4.34Å; T321-R374 PolarHBondContact OG1-NE 2.83Å; T321-R374 VanDerWaalsContact OG1-NE 3.08Å; T321-R374 PolarHBondContact OG1-NH2 2.82Å; T321-L375 PolarHBondContact N-O 3.01Å; T321-L375 VanDerWaalsContact N-O 3.13Å; T321-L375 PolarHBondContact OG1-O 3.45Å; T321-G377 PolarHBondContact O-N 2.92Å; T321-V378 CarbonylContact C-O 3.57Å; T321-V378 PolarHBondContact N-O 2.83Å; T321-V378 PolarHBondContact O-N 3.25Å
322	L	64.3	Low	64.2	Low	71 Å²	71	56.8 Å²	56.8	37%	0.372	30%	0.302	S	S	.	.	S	Bend	trans	-78.6	-36.3	-178.5	-139.5	154.2	0	0	0	112.3	S379 L382	L322-S379 WeakPolarHBondContact CD1-OG 3.3Å; L322-S379 VanDerWaalsContact CG-CB 3.47Å; L322-L382 HydrophobicContact CD1-CD1 4.4Å; L322-L382 HydrophobicContact CD2-CD1 4.05Å; L322-L382 HydrophobicContact CG-CD1 4.12Å
323	D	59	Low	62	Low	78 Å²	78	57.5 Å²	57.5	42%	0.417	31%	0.311	S	S	.	.			trans	-99.6	137.5	-177.7	-81.8	-29.6	0	0	0	112.7	S325 R374	D323-S325 VanDerWaalsContact C-N 3.26Å; D323-R374 PolarHBondContact O-NH2 2.89Å
324	D	52.2	Low	60	Low	117 Å²	117	65.2 Å²	65.2	63%	0.626	35%	0.353	S	S	*	.			trans	-78.5	-13.2	171.3	-126.2	2.1	0	0	0	111.9	V326	D324-V326 VanDerWaalsContact C-N 3.31Å; D324-V326 PolarHBondContact O-N 3.43Å
325	S	46.7	Very low	58.1	Low	37 Å²	37	71.6 Å²	71.6	26%	0.259	38%	0.382	S	S	.	.			trans	-83.9	60.6	-168.5	54.3	0	0	0	0	113.8	D323 S327 Q328	D323-S325 VanDerWaalsContact C-N 3.26Å; S325-S327 PolarHBondContact O-N 3.44Å; S325-Q328 PolarHBondContact O-N 3.26Å
326	V	47.8	Very low	56.2	Low	25 Å²	25	73.6 Å²	73.6	15%	0.152	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-59.9	-21.2	159	176	0	0	0	0	111.2	D324 Q328 L344 I345	D324-V326 VanDerWaalsContact C-N 3.31Å; D324-V326 PolarHBondContact O-N 3.43Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 2.91Å; V326-L344 HydrophobicContact CG2-CB 3.92Å; V326-I345 HydrophobicContact CG1-CD1 3.96Å; V326-I345 HydrophobicContact CG1-CG1 3.56Å
327	S	42.8	Very low	54.7	Low	99 Å²	99	74 Å²	74	69%	0.692	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.2	-179	46.4	0	0	0	0	115.8	S325	S325-S327 PolarHBondContact O-N 3.44Å
328	Q	41.4	Very low	53.2	Low	161 Å²	161	77.5 Å²	77.5	75%	0.752	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-105.5	-5.1	-175.9	-74.2	-174.6	-16.1	0	0	115.2	S325 V326 V330	S325-Q328 PolarHBondContact O-N 3.26Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 2.91Å; Q328-V330 VanDerWaalsContact C-N 3.3Å
329	L	44.5	Very low	52	Low	59 Å²	59	78 Å²	78	31%	0.309	42%	0.418	S	S	.	.	S	Bend	trans	-86.3	1.5	177.4	-79.1	159.3	0	0	0	113.5	E331 L344 F442	L329-E331 PolarHBondContact O-N 3.46Å; L329-L344 HydrophobicContact CD1-CD1 4.37Å; L329-F442 HydrophobicContact CD2-CZ 4.38Å
330	V	41.8	Very low	50.9	Low	105 Å²	105	79.5 Å²	79.5	64%	0.636	43%	0.427	S	S	*	.	S	Bend	trans	-74.4	-22.9	-168.4	175.9	0	0	0	0	113.7	Q328	Q328-V330 VanDerWaalsContact C-N 3.3Å
331	E	42.1	Very low	50	Low	180 Å²	180	80.5 Å²	80.5	84%	0.841	43%	0.432	S	S	*	.	S	Bend	trans	-103.9	-19.5	-160.5	-72.4	-174.2	156.6	0	0	116.8	L329	L329-E331 PolarHBondContact O-N 3.46Å
332	E	38.9	Very low	49.7	Very low	161 Å²	161	84.3 Å²	84.3	75%	0.752	45%	0.45	S	S	*	.	S	Bend	trans	-147.8	78	-170.1	-67.7	-176.5	155.8	0	0	114.1
333	S	39.5	Very low	49.8	Very low	63 Å²	63	80.9 Å²	80.9	44%	0.441	43%	0.432	S	S	.	.			trans	163.4	122.2	141.8	48.5	0	0	0	0	111.3	E335 S337	S333-E335 PolarHBondContact O-N 3.01Å; S333-S337 PolarHBondContact O-OG 3.24Å
334	N	44.5	Very low	50	Low	163 Å²	163	77.8 Å²	77.8	87%	0.872	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-1	-160.6	-79.6	-10	0	0	0	117.5
335	E	44.1	Very low	50.8	Low	161 Å²	161	78 Å²	78	75%	0.752	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	-29.9	-179.8	-72	-174.3	162.5	0	0	114.6	S333	S333-E335 PolarHBondContact O-N 3.01Å
336	I	45.4	Very low	52	Low	43 Å²	43	79.7 Å²	79.7	22%	0.221	42%	0.421	C	S	.	.	H	α-helix	trans	-82.5	-23.9	-175.4	-69.9	159.2	0	0	0	112.3	T340 D487	I336-T340 PolarHBondContact O-OG1 3.47Å; I336-D487 WeakPolarHBondContact CD1-OD1 3.31Å; I336-D487 HydrophobicContact CG2-CB 4.48Å; I336-D487 VanDerWaalsContact CG2-CG 3.44Å; I336-D487 WeakPolarHBondContact CG2-OD2 3.27Å
337	S	53.7	Low	53.4	Low	18 Å²	18	78.6 Å²	78.6	13%	0.126	42%	0.415	C	S	.	.	H	α-helix	trans	-83.2	-19.4	-179.3	62.2	0	0	0	0	114.2	S333 T340 N341	S333-S337 PolarHBondContact O-OG 3.24Å; S337-T340 PolarHBondContact O-OG1 3.4Å; S337-N341 WeakPolarHBondContact O-CB 3.21Å; S337-N341 PolarHBondContact O-N 3.36Å; S337-N341 PolarHBondContact O-ND2 3.24Å
338	V	52.4	Low	55.3	Low	75 Å²	75	76.2 Å²	76.2	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-72.7	-47	-166.6	-177.2	0	0	0	0	111.5	N341 E342	V338-N341 PolarHBondContact O-N 2.65Å; V338-E342 WeakPolarHBondContact O-CB 3.37Å; V338-E342 WeakPolarHBondContact O-CG 3.5Å; V338-E342 PolarHBondContact O-N 3.17Å
339	W	59.5	Low	57.3	Low	12 Å²	12	72 Å²	72	5%	0.045	38%	0.38	C	S	.	.	H	α-helix	trans	-74.1	-38.2	-178.6	78.7	-90.1	0	0	0	112.4	N341 E342 M343 L439 S494 T495 I498	W339-N341 VanDerWaalsContact C-N 3.29Å; W339-N341 PolarHBondContact O-N 2.99Å; W339-E342 PolarHBondContact O-N 3.46Å; W339-M343 HydrophobicContact CE3-CB 4.4Å; W339-M343 HydrophobicContact CZ3-SD 4.14Å; W339-M343 VanDerWaalsContact O-CB 3.31Å; W339-M343 WeakPolarHBondContact O-CB 3.38Å; W339-M343 PolarHBondContact O-N 3.29Å; W339-L439 HydrophobicContact CH2-CD2 4.13Å; W339-L439 HydrophobicContact CZ3-CD2 4.33Å; W339-S494 VanDerWaalsContact CE2-O 3.24Å; W339-S494 PolarHBondContact NE1-O 2.83Å; W339-T495 HydrophobicContact CB-CG2 3.23Å; W339-T495 VanDerWaalsContact CD1-CG2 3.49Å; W339-T495 HydrophobicContact CD2-CG2 4.14Å; W339-T495 HydrophobicContact CG-CG2 3.31Å; W339-I498 HydrophobicContact CD2-CD1 4.46Å; W339-I498 HydrophobicContact CE3-CD1 4.21Å; W339-I498 HydrophobicContact CH2-CD1 3.22Å; W339-I498 HydrophobicContact CZ2-CD1 3.49Å; W339-I498 VanDerWaalsContact CZ2-CD1 3.49Å; W339-I498 HydrophobicContact CZ3-CD1 3.62Å
340	T	59.8	Low	59.1	Low	30 Å²	30	69.3 Å²	69.3	18%	0.184	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-44.4	174.5	36.2	0	0	0	0	108.7	I336 S337 M343 L344	I336-T340 PolarHBondContact O-OG1 3.47Å; S337-T340 PolarHBondContact O-OG1 3.4Å; T340-M343 PolarHBondContact O-N 2.91Å; T340-L344 WeakPolarHBondContact O-CB 3.49Å; T340-L344 VanDerWaalsContact O-CD1 3.31Å; T340-L344 WeakPolarHBondContact O-CD1 3.5Å; T340-L344 WeakPolarHBondContact O-CG 3.41Å; T340-L344 PolarHBondContact O-N 3.38Å
341	N	58.9	Low	61.1	Low	25 Å²	25	64.3 Å²	64.3	13%	0.134	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.1	-77.8	-22.6	0	0	0	112.9	S337 V338 W339 L344 I345	S337-N341 WeakPolarHBondContact O-CB 3.21Å; S337-N341 PolarHBondContact O-N 3.36Å; S337-N341 PolarHBondContact O-ND2 3.24Å; V338-N341 PolarHBondContact O-N 2.65Å; W339-N341 VanDerWaalsContact C-N 3.29Å; W339-N341 PolarHBondContact O-N 2.99Å; N341-L344 PolarHBondContact O-N 2.9Å; N341-I345 WeakPolarHBondContact O-CB 3.3Å; N341-I345 WeakPolarHBondContact O-CD1 3.24Å; N341-I345 WeakPolarHBondContact O-CG1 3.21Å; N341-I345 PolarHBondContact O-N 3.13Å
342	E	63.8	Low	63.2	Low	87 Å²	87	61.5 Å²	61.5	41%	0.407	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-48.6	176.2	-79.2	-169	164.8	0	0	111.3	V338 W339 L344 I345 N346 W350	V338-E342 WeakPolarHBondContact O-CB 3.37Å; V338-E342 WeakPolarHBondContact O-CG 3.5Å; V338-E342 PolarHBondContact O-N 3.17Å; W339-E342 PolarHBondContact O-N 3.46Å; E342-L344 VanDerWaalsContact C-N 3.33Å; E342-L344 PolarHBondContact O-N 3.05Å; E342-I345 PolarHBondContact O-N 2.97Å; E342-N346 CarbonylContact O-C 3.42Å; E342-N346 PolarHBondContact O-N 2.93Å; E342-W350 HydrophobicContact CB-CB 4.33Å
343	M	66.2	Low	65.2	Low	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-35.1	179.6	-132.6	-157	-163.9	0	0	112.4	V319 W339 T340 P347 W350 L437 I502	V319-M343 HydrophobicContact CG2-SD 4.37Å; W339-M343 HydrophobicContact CE3-CB 4.4Å; W339-M343 HydrophobicContact CZ3-SD 4.14Å; W339-M343 VanDerWaalsContact O-CB 3.31Å; W339-M343 WeakPolarHBondContact O-CB 3.38Å; W339-M343 PolarHBondContact O-N 3.29Å; T340-M343 PolarHBondContact O-N 2.91Å; M343-P347 HydrophobicContact CG-CB 4.25Å; M343-P347 WeakPolarHBondContact O-CD 3.14Å; M343-P347 VanDerWaalsContact O-CG 3.23Å; M343-P347 WeakPolarHBondContact O-CG 3.41Å; M343-W350 HydrophobicContact CE-CE3 3.96Å; M343-W350 HydrophobicContact CE-CH2 4.39Å; M343-W350 HydrophobicContact CE-CZ3 3.66Å; M343-W350 HydrophobicContact CG-CE3 4.4Å; M343-L437 HydrophobicContact CE-CD1 3.29Å; M343-L437 HydrophobicContact SD-CD1 4.1Å; M343-I502 HydrophobicContact CE-CD1 4.06Å
344	L	65	Low	67.2	Low	13 Å²	13	56.8 Å²	56.8	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-77.4	-33.9	179.7	-68.4	168.7	0	0	0	112	T321 V326 L329 T340 N341 E342 R374 L439	T321-L344 HydrophobicContact CG2-CD2 3.29Å; V326-L344 HydrophobicContact CG2-CB 3.92Å; L329-L344 HydrophobicContact CD1-CD1 4.37Å; T340-L344 WeakPolarHBondContact O-CB 3.49Å; T340-L344 VanDerWaalsContact O-CD1 3.31Å; T340-L344 WeakPolarHBondContact O-CD1 3.5Å; T340-L344 WeakPolarHBondContact O-CG 3.41Å; T340-L344 PolarHBondContact O-N 3.38Å; N341-L344 PolarHBondContact O-N 2.9Å; E342-L344 VanDerWaalsContact C-N 3.33Å; E342-L344 PolarHBondContact O-N 3.05Å; L344-R374 WeakPolarHBondContact O-CD 3.43Å; L344-R374 PolarHBondContact O-NH1 3.17Å; L344-L439 HydrophobicContact CD2-CD1 4.13Å
345	I	67.6	Low	69.1	Low	122 Å²	122	49 Å²	49	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-79.3	-55.7	179.3	-66.1	165.4	0	0	0	110.5	V326 N341 E342	V326-I345 HydrophobicContact CG1-CD1 3.96Å; V326-I345 HydrophobicContact CG1-CG1 3.56Å; N341-I345 WeakPolarHBondContact O-CB 3.3Å; N341-I345 WeakPolarHBondContact O-CD1 3.24Å; N341-I345 WeakPolarHBondContact O-CG1 3.21Å; N341-I345 PolarHBondContact O-N 3.13Å; E342-I345 PolarHBondContact O-N 2.97Å
346	N	73	Confident	71	Confident	71 Å²	71	42.1 Å²	42.1	38%	0.38	23%	0.232	S	C	.	.			trans	-154.8	102.6	-179.8	-178.4	-1.4	0	0	0	108.6	E342 I348 P349	E342-N346 CarbonylContact O-C 3.42Å; E342-N346 PolarHBondContact O-N 2.93Å; N346-I348 PolarHBondContact O-N 2.91Å; N346-I348 VanDerWaalsContact O-N 3.15Å; N346-I348 WeakPolarHBondContact OD1-CB 3.4Å; N346-I348 WeakPolarHBondContact OD1-CG1 3.37Å; N346-I348 PolarHBondContact OD1-N 2.93Å; N346-I348 VanDerWaalsContact OD1-N 3.13Å; N346-P349 WeakPolarHBondContact O-CD 3.48Å
347	P	77.6	Confident	72.7	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-23.2	-179.4	-16.9	22.2	0	0	0	114.5	V319 M343 W350 L351 S372	V319-P347 HydrophobicContact CG2-CG 3.81Å; M343-P347 HydrophobicContact CG-CB 4.25Å; M343-P347 WeakPolarHBondContact O-CD 3.14Å; M343-P347 VanDerWaalsContact O-CG 3.23Å; M343-P347 WeakPolarHBondContact O-CG 3.41Å; P347-W350 PolarHBondContact O-N 2.74Å; P347-L351 HydrophobicContact CB-CD1 3.77Å; P347-L351 HydrophobicContact CB-CG 4.28Å; P347-L351 WeakPolarHBondContact O-CB 3.42Å; P347-L351 VanDerWaalsContact O-CG 3.28Å; P347-L351 WeakPolarHBondContact O-CG 3.42Å; P347-L351 PolarHBondContact O-N 3.15Å; P347-S372 VanDerWaalsContact CD-OG 3.3Å; P347-S372 WeakPolarHBondContact CD-OG 3.44Å; P347-S372 WeakPolarHBondContact CG-OG 3.44Å
348	I	82.7	Confident	74.1	Confident	48 Å²	48	41.3 Å²	41.3	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-51.6	-167.7	-58.5	179.8	0	0	0	113.5	N346 W350 L351 K352 S372	N346-I348 PolarHBondContact O-N 2.91Å; N346-I348 VanDerWaalsContact O-N 3.15Å; N346-I348 WeakPolarHBondContact OD1-CB 3.4Å; N346-I348 WeakPolarHBondContact OD1-CG1 3.37Å; N346-I348 PolarHBondContact OD1-N 2.93Å; N346-I348 VanDerWaalsContact OD1-N 3.13Å; I348-W350 VanDerWaalsContact C-N 3.3Å; I348-W350 PolarHBondContact O-N 3.3Å; I348-L351 PolarHBondContact O-N 3.49Å; I348-K352 HydrophobicContact CG2-CD 3.9Å; I348-K352 HydrophobicContact CG2-CG 4.21Å; I348-K352 WeakPolarHBondContact O-CB 3.43Å; I348-K352 WeakPolarHBondContact O-CG 3.46Å; I348-K352 PolarHBondContact O-N 3.21Å; I348-S372 WeakPolarHBondContact CG1-OG 3.32Å
349	P	83.2	Confident	75.7	Confident	72 Å²	72	38.1 Å²	38.1	47%	0.468	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-42.4	-178.7	-22	35.7	0	0	0	111.5	N346 K352 A353	N346-P349 WeakPolarHBondContact O-CD 3.48Å; P349-K352 PolarHBondContact O-N 3.21Å; P349-A353 VanDerWaalsContact O-CB 3.3Å; P349-A353 WeakPolarHBondContact O-CB 3.17Å; P349-A353 PolarHBondContact O-N 3.31Å
350	W	81.2	Confident	76.8	Confident	3 Å²	3	42 Å²	42	1%	0.011	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-46.8	177.7	-174.8	90.7	0	0	0	111.7	E342 M343 P347 I348 A353 H354 V355 I498 A499 I502	E342-W350 HydrophobicContact CB-CB 4.33Å; M343-W350 HydrophobicContact CE-CE3 3.96Å; M343-W350 HydrophobicContact CE-CH2 4.39Å; M343-W350 HydrophobicContact CE-CZ3 3.66Å; M343-W350 HydrophobicContact CG-CE3 4.4Å; P347-W350 PolarHBondContact O-N 2.74Å; I348-W350 VanDerWaalsContact C-N 3.3Å; I348-W350 PolarHBondContact O-N 3.3Å; W350-A353 PolarHBondContact O-N 3.49Å; W350-H354 AromaticContact CD1-CE1 3.5Å; W350-H354 VanDerWaalsContact CD1-CE1 3.5Å; W350-H354 AromaticContact CD1-ND1 3.41Å; W350-H354 AromaticContact CD2-ND1 3.92Å; W350-H354 AromaticContact CE2-CG 3.99Å; W350-H354 AromaticContact CE2-ND1 3.76Å; W350-H354 AromaticContact CG-ND1 3.71Å; W350-H354 HydrophobicContact CZ2-CB 4.32Å; W350-H354 AromaticContact NE1-CE1 3.51Å; W350-H354 AromaticContact NE1-CG 3.95Å; W350-H354 AromaticContact NE1-ND1 3.42Å; W350-H354 PolarHBondContact NE1-ND1 2.83Å; W350-H354 WeakPolarHBondContact O-CB 3.37Å; W350-H354 PolarHBondContact O-N 3.11Å; W350-H354 PolarHBondContact O-ND1 3.34Å; W350-V355 HydrophobicContact CZ3-CG2 4.13Å; W350-I498 HydrophobicContact CH2-CB 4.38Å; W350-I498 HydrophobicContact CH2-CG2 3.97Å; W350-A499 HydrophobicContact CH2-CB 3.95Å; W350-A499 HydrophobicContact CZ2-CB 4.3Å; W350-I502 HydrophobicContact CH2-CD1 4.45Å; W350-I502 HydrophobicContact CZ3-CD1 4.12Å
351	L	84.6	Confident	77.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-48.2	176.7	-75.8	169	0	0	0	111	V317 P347 I348 A353 V355 G356 F370 I502	V317-L351 HydrophobicContact CB-CD1 3.67Å; V317-L351 HydrophobicContact CG1-CD1 4.11Å; V317-L351 HydrophobicContact CG2-CD1 3.68Å; V317-L351 HydrophobicContact CG2-CD2 4.1Å; P347-L351 HydrophobicContact CB-CD1 3.77Å; P347-L351 HydrophobicContact CB-CG 4.28Å; P347-L351 WeakPolarHBondContact O-CB 3.42Å; P347-L351 VanDerWaalsContact O-CG 3.28Å; P347-L351 WeakPolarHBondContact O-CG 3.42Å; P347-L351 PolarHBondContact O-N 3.15Å; I348-L351 PolarHBondContact O-N 3.49Å; L351-A353 VanDerWaalsContact C-N 3.34Å; L351-A353 PolarHBondContact O-N 2.9Å; L351-V355 HydrophobicContact CD2-CB 4.36Å; L351-V355 HydrophobicContact CD2-CG2 3.98Å; L351-V355 CarbonylContact O-C 3.54Å; L351-V355 VanDerWaalsContact O-CA 3.28Å; L351-V355 WeakPolarHBondContact O-CA 3.38Å; L351-V355 VanDerWaalsContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CB 3.36Å; L351-V355 PolarHBondContact O-N 3.2Å; L351-G356 PolarHBondContact O-N 2.93Å; L351-F370 HydrophobicContact CB-CB 4.5Å; L351-F370 HydrophobicContact CB-CD1 4.47Å; L351-I502 HydrophobicContact CD2-CD1 4.46Å
352	K	85.2	Confident	78.9	Confident	121 Å²	121	39.9 Å²	39.9	53%	0.526	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-41.3	179.2	-74.3	-174.7	176.6	-175	0	112.1	I348 P349 G356 S357 F370	I348-K352 HydrophobicContact CG2-CD 3.9Å; I348-K352 HydrophobicContact CG2-CG 4.21Å; I348-K352 WeakPolarHBondContact O-CB 3.43Å; I348-K352 WeakPolarHBondContact O-CG 3.46Å; I348-K352 PolarHBondContact O-N 3.21Å; P349-K352 PolarHBondContact O-N 3.21Å; K352-G356 WeakPolarHBondContact O-CA 3.16Å; K352-G356 PolarHBondContact O-N 3.33Å; K352-S357 PolarHBondContact O-N 3.17Å; K352-F370 HydrophobicContact CG-CB 4.47Å
353	A	82.1	Confident	79.8	Confident	58 Å²	58	38.8 Å²	38.8	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-46.2	-179.7	0	0	0	0	0	112.7	P349 W350 L351 S357	P349-A353 VanDerWaalsContact O-CB 3.3Å; P349-A353 WeakPolarHBondContact O-CB 3.17Å; P349-A353 PolarHBondContact O-N 3.31Å; W350-A353 PolarHBondContact O-N 3.49Å; L351-A353 VanDerWaalsContact C-N 3.34Å; L351-A353 PolarHBondContact O-N 2.9Å; A353-S357 WeakPolarHBondContact O-CB 3.49Å; A353-S357 PolarHBondContact O-OG 2.81Å
354	H	80.1	Confident	80.6	Confident	67 Å²	67	42.4 Å²	42.4	31%	0.31	24%	0.241	S	C	.	.	H	α-helix	trans	-98	-36	-170.3	-61.2	87.8	0	0	0	113.9	W350 A499	W350-H354 AromaticContact CD1-CE1 3.5Å; W350-H354 VanDerWaalsContact CD1-CE1 3.5Å; W350-H354 AromaticContact CD1-ND1 3.41Å; W350-H354 AromaticContact CD2-ND1 3.92Å; W350-H354 AromaticContact CE2-CG 3.99Å; W350-H354 AromaticContact CE2-ND1 3.76Å; W350-H354 AromaticContact CG-ND1 3.71Å; W350-H354 HydrophobicContact CZ2-CB 4.32Å; W350-H354 AromaticContact NE1-CE1 3.51Å; W350-H354 AromaticContact NE1-CG 3.95Å; W350-H354 AromaticContact NE1-ND1 3.42Å; W350-H354 PolarHBondContact NE1-ND1 2.83Å; W350-H354 WeakPolarHBondContact O-CB 3.37Å; W350-H354 PolarHBondContact O-N 3.11Å; W350-H354 PolarHBondContact O-ND1 3.34Å; H354-A499 HydrophobicContact CB-CB 3.8Å
355	V	85	Confident	81.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-48.2	-178.1	178.4	0	0	0	0	110.4	W350 L351 S357 A358 F359 F370 A499 I502 I503 I506	W350-V355 HydrophobicContact CZ3-CG2 4.13Å; L351-V355 HydrophobicContact CD2-CB 4.36Å; L351-V355 HydrophobicContact CD2-CG2 3.98Å; L351-V355 CarbonylContact O-C 3.54Å; L351-V355 VanDerWaalsContact O-CA 3.28Å; L351-V355 WeakPolarHBondContact O-CA 3.38Å; L351-V355 VanDerWaalsContact O-CB 3.25Å; L351-V355 WeakPolarHBondContact O-CB 3.36Å; L351-V355 PolarHBondContact O-N 3.2Å; V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 3.04Å; V355-A358 VanDerWaalsContact O-CB 3.26Å; V355-A358 WeakPolarHBondContact O-CB 3.38Å; V355-A358 PolarHBondContact O-N 3.32Å; V355-F359 HydrophobicContact CG1-CE2 3.9Å; V355-F359 VanDerWaalsContact O-CD2 3.22Å; V355-F359 WeakPolarHBondContact O-CD2 3.31Å; V355-F359 WeakPolarHBondContact O-CE2 3.41Å; V355-F370 HydrophobicContact CB-CE1 4.41Å; V355-F370 HydrophobicContact CG1-CE1 3.58Å; V355-F370 HydrophobicContact CG1-CZ 3.68Å; V355-A499 HydrophobicContact CG2-CB 4.19Å; V355-I502 HydrophobicContact CG1-CG2 3.86Å; V355-I502 HydrophobicContact CG2-CB 4.19Å; V355-I502 HydrophobicContact CG2-CG2 3.99Å; V355-I503 HydrophobicContact CB-CG1 4.29Å; V355-I503 HydrophobicContact CG1-CG1 3.86Å; V355-I503 HydrophobicContact CG2-CG1 4.42Å; V355-I506 HydrophobicContact CG1-CD1 3.83Å
356	G	84.6	Confident	82.6	Confident	17 Å²	17	36.7 Å²	36.7	18%	0.175	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.1	-31.8	-179	0	0	0	0	0	113.8	L351 K352 A358 F359 K360 F370	L351-G356 PolarHBondContact O-N 2.93Å; K352-G356 WeakPolarHBondContact O-CA 3.16Å; K352-G356 PolarHBondContact O-N 3.33Å; G356-A358 PolarHBondContact O-N 3.21Å; G356-F359 PolarHBondContact O-N 2.74Å; G356-K360 PolarHBondContact O-N 2.9Å; G356-F370 VanDerWaalsContact CA-CE2 3.48Å
357	S	81.6	Confident	83.4	Confident	43 Å²	43	38.1 Å²	38.1	30%	0.301	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.5	-23.9	175.3	60	0	0	0	0	113.4	K352 A353 V355 F359	K352-S357 PolarHBondContact O-N 3.17Å; A353-S357 WeakPolarHBondContact O-CB 3.49Å; A353-S357 PolarHBondContact O-OG 2.81Å; V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 3.04Å; S357-F359 VanDerWaalsContact C-N 3.28Å; S357-F359 PolarHBondContact O-N 2.9Å
358	A	82.1	Confident	83.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.2	-23.1	176.2	0	0	0	0	0	114	V355 G356 I503 Q541	V355-A358 VanDerWaalsContact O-CB 3.26Å; V355-A358 WeakPolarHBondContact O-CB 3.38Å; V355-A358 PolarHBondContact O-N 3.32Å; G356-A358 PolarHBondContact O-N 3.21Å; A358-I503 HydrophobicContact CB-CD1 3.57Å; A358-I503 HydrophobicContact CB-CG1 3.86Å; A358-I503 HydrophobicContact CB-CG2 3.88Å; A358-Q541 HydrophobicContact CB-CG 4.3Å
359	F	86.2	Confident	84	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.035	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-4	-176.7	-57.2	-73.1	0	0	0	112.7	V355 G356 S357 S361 W362 V368 F370 I503 I506 R507	V355-F359 HydrophobicContact CG1-CE2 3.9Å; V355-F359 VanDerWaalsContact O-CD2 3.22Å; V355-F359 WeakPolarHBondContact O-CD2 3.31Å; V355-F359 WeakPolarHBondContact O-CE2 3.41Å; G356-F359 PolarHBondContact O-N 2.74Å; S357-F359 VanDerWaalsContact C-N 3.28Å; S357-F359 PolarHBondContact O-N 2.9Å; F359-S361 PolarHBondContact O-N 3.45Å; F359-W362 HydrophobicContact CB-CD2 4.35Å; F359-W362 HydrophobicContact CB-CE3 4.38Å; F359-W362 AromaticContact CD1-CD2 3.86Å; F359-W362 HydrophobicContact CD1-CD2 3.86Å; F359-W362 AromaticContact CD1-CE2 3.66Å; F359-W362 AromaticContact CD1-CE3 3.71Å; F359-W362 HydrophobicContact CD1-CE3 3.71Å; F359-W362 AromaticContact CD1-CH2 3.24Å; F359-W362 HydrophobicContact CD1-CH2 3.24Å; F359-W362 AromaticContact CD1-CZ2 3.37Å; F359-W362 HydrophobicContact CD1-CZ2 3.37Å; F359-W362 AromaticContact CD1-CZ3 3.4Å; F359-W362 HydrophobicContact CD1-CZ3 3.4Å; F359-W362 AromaticContact CE1-CH2 3.29Å; F359-W362 HydrophobicContact CE1-CH2 3.29Å; F359-W362 AromaticContact CE1-CZ2 3.56Å; F359-W362 HydrophobicContact CE1-CZ2 3.56Å; F359-W362 AromaticContact CE1-CZ3 3.83Å; F359-W362 HydrophobicContact CE1-CZ3 3.83Å; F359-W362 HydrophobicContact CG-CZ3 4.46Å; F359-W362 WeakPolarHBondContact O-CB 3.24Å; F359-W362 PolarHBondContact O-N 3.46Å; F359-V368 HydrophobicContact CB-CB 4.15Å; F359-V368 HydrophobicContact CB-CG2 4.03Å; F359-V368 HydrophobicContact CD1-CG2 4.13Å; F359-V368 HydrophobicContact CG-CB 4.25Å; F359-V368 HydrophobicContact CG-CG2 4.07Å; F359-F370 HydrophobicContact CD2-CE2 4.09Å; F359-F370 AromaticContact CD2-CZ 3.7Å; F359-F370 HydrophobicContact CD2-CZ 3.7Å; F359-F370 AromaticContact CE2-CZ 3.8Å; F359-F370 HydrophobicContact CE2-CZ 3.8Å; F359-I503 HydrophobicContact CE2-CG1 4.38Å; F359-I503 HydrophobicContact CZ-CG2 4.1Å; F359-I506 HydrophobicContact CE1-CG2 3.88Å; F359-I506 HydrophobicContact CE2-CD1 4.2Å; F359-I506 HydrophobicContact CE2-CG2 4.23Å; F359-I506 HydrophobicContact CZ-CB 3.87Å; F359-I506 HydrophobicContact CZ-CD1 4.28Å; F359-I506 HydrophobicContact CZ-CG2 3.45Å; F359-I506 VanDerWaalsContact CZ-CG2 3.45Å; F359-R507 HydrophobicContact CE1-CG 4.11Å; F359-R507 HydrophobicContact CZ-CG 4.46Å
360	K	82.4	Confident	84.1	Confident	94 Å²	94	35.7 Å²	35.7	41%	0.409	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-60.8	-29	-179.2	-170	169.1	177.1	177.6	0	112.7	E187 G356 W362 S363	E187-K360 IonicContact OE1-NZ 3.11Å; E187-K360 PolarHBondContact OE1-NZ 2.95Å; G356-K360 PolarHBondContact O-N 2.9Å; K360-W362 PolarHBondContact O-N 2.91Å; K360-S363 PolarHBondContact O-N 3.44Å
361	S	77.8	Confident	84.2	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.7	-10	176.8	56.7	0	0	0	0	114.1	F359	F359-S361 PolarHBondContact O-N 3.45Å
362	W	84.7	Confident	84.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-87	-18.3	-179.7	-55.9	0.8	0	0	0	112.4	F359 K360 F365 V366 V368 R507 L510 F512 T542 L547	F359-W362 HydrophobicContact CB-CD2 4.35Å; F359-W362 HydrophobicContact CB-CE3 4.38Å; F359-W362 AromaticContact CD1-CD2 3.86Å; F359-W362 HydrophobicContact CD1-CD2 3.86Å; F359-W362 AromaticContact CD1-CE2 3.66Å; F359-W362 AromaticContact CD1-CE3 3.71Å; F359-W362 HydrophobicContact CD1-CE3 3.71Å; F359-W362 AromaticContact CD1-CH2 3.24Å; F359-W362 HydrophobicContact CD1-CH2 3.24Å; F359-W362 AromaticContact CD1-CZ2 3.37Å; F359-W362 HydrophobicContact CD1-CZ2 3.37Å; F359-W362 AromaticContact CD1-CZ3 3.4Å; F359-W362 HydrophobicContact CD1-CZ3 3.4Å; F359-W362 AromaticContact CE1-CH2 3.29Å; F359-W362 HydrophobicContact CE1-CH2 3.29Å; F359-W362 AromaticContact CE1-CZ2 3.56Å; F359-W362 HydrophobicContact CE1-CZ2 3.56Å; F359-W362 AromaticContact CE1-CZ3 3.83Å; F359-W362 HydrophobicContact CE1-CZ3 3.83Å; F359-W362 HydrophobicContact CG-CZ3 4.46Å; F359-W362 WeakPolarHBondContact O-CB 3.24Å; F359-W362 PolarHBondContact O-N 3.46Å; K360-W362 PolarHBondContact O-N 2.91Å; W362-F365 PolarHBondContact O-N 3.49Å; W362-V366 CarbonylContact C-O 3.58Å; W362-V366 HydrophobicContact CB-CB 4.09Å; W362-V366 HydrophobicContact CE3-CB 4.22Å; W362-V366 HydrophobicContact CE3-CG1 3.86Å; W362-V366 HydrophobicContact CZ3-CG1 4.4Å; W362-V366 PolarHBondContact O-N 2.58Å; W362-V368 HydrophobicContact CE3-CG2 3.79Å; W362-V368 HydrophobicContact CZ3-CG2 3.77Å; W362-R507 HydrophobicContact CZ2-CG 4.48Å; W362-L510 HydrophobicContact CH2-CD1 3.68Å; W362-L510 HydrophobicContact CZ3-CD1 3.57Å; W362-F512 AromaticContact CE2-CZ 3.79Å; W362-F512 HydrophobicContact CH2-CD2 4.02Å; W362-F512 AromaticContact CH2-CE2 3.18Å; W362-F512 HydrophobicContact CH2-CE2 3.18Å; W362-F512 AromaticContact CH2-CZ 3.72Å; W362-F512 HydrophobicContact CH2-CZ 3.72Å; W362-F512 HydrophobicContact CZ2-CD2 4.1Å; W362-F512 HydrophobicContact CZ2-CE1 4.18Å; W362-F512 AromaticContact CZ2-CE2 3.22Å; W362-F512 HydrophobicContact CZ2-CE2 3.22Å; W362-F512 AromaticContact CZ2-CZ 3.27Å; W362-F512 HydrophobicContact CZ2-CZ 3.27Å; W362-F512 HydrophobicContact CZ3-CE2 4.09Å; W362-T542 WeakPolarHBondContact CZ2-OG1 3.32Å; W362-T542 VanDerWaalsContact NE1-CB 3.34Å; W362-T542 PolarHBondContact NE1-OG1 2.53Å; W362-L547 HydrophobicContact CD2-CD1 4.4Å; W362-L547 HydrophobicContact CG-CD1 3.98Å
363	S	82.8	Confident	83.8	Confident	64 Å²	64	39.8 Å²	39.8	45%	0.448	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	143	173.5	-170.8	0	0	0	0	110.4	K360	K360-S363 PolarHBondContact O-N 3.44Å
364	P	83.4	Confident	83.6	Confident	76 Å²	76	40.1 Å²	40.1	49%	0.494	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89	2	4.4	35.2	-34.6	0	0	0	115	M620	P364-M620 HydrophobicContact CG-CE 3.32Å
365	F	87.2	Confident	83.3	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.057	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-38	-171.2	-49.8	-69.2	0	0	0	113.7	W362 F551 M620 C621 G624 V625	W362-F365 PolarHBondContact O-N 3.49Å; F365-F551 HydrophobicContact CB-CE1 3.8Å; F365-F551 HydrophobicContact CB-CZ 3.76Å; F365-F551 HydrophobicContact CD2-CE2 4.2Å; F365-F551 AromaticContact CD2-CZ 3.76Å; F365-F551 HydrophobicContact CD2-CZ 3.76Å; F365-F551 HydrophobicContact CG-CE1 4.42Å; F365-F551 HydrophobicContact CG-CZ 4.06Å; F365-M620 HydrophobicContact CE1-CE 3.89Å; F365-M620 HydrophobicContact CZ-CB 4.12Å; F365-M620 HydrophobicContact CZ-CE 4Å; F365-C621 HydrophobicContact CE2-CB 3.9Å; F365-C621 HydrophobicContact CZ-CB 4.12Å; F365-G624 VanDerWaalsContact CD1-O 3.3Å; F365-G624 WeakPolarHBondContact CD1-O 3.3Å; F365-V625 HydrophobicContact CE1-CB 4.47Å; F365-V625 HydrophobicContact CE1-CG2 3.78Å; F365-V625 VanDerWaalsContact CE1-N 3.33Å; F365-V625 HydrophobicContact CZ-CG2 4.17Å
366	V	88.1	Confident	82.7	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	23%	0.228	C	C	.	.			trans	-130.5	125.8	176.9	-177.2	0	0	0	0	110	S311 Y313 W362 V368 W550 F551 F627	S311-V366 CarbonylContact O-C 3.48Å; S311-V366 VanDerWaalsContact O-CA 3.26Å; S311-V366 WeakPolarHBondContact O-CA 3.31Å; Y313-V366 HydrophobicContact CD2-CG1 3.72Å; Y313-V366 HydrophobicContact CE2-CG1 3.72Å; W362-V366 CarbonylContact C-O 3.58Å; W362-V366 HydrophobicContact CB-CB 4.09Å; W362-V366 HydrophobicContact CE3-CB 4.22Å; W362-V366 HydrophobicContact CE3-CG1 3.86Å; W362-V366 HydrophobicContact CZ3-CG1 4.4Å; W362-V366 PolarHBondContact O-N 2.58Å; V366-V368 HydrophobicContact CG1-CG2 4.46Å; V366-W550 HydrophobicContact CG2-CH2 3.7Å; V366-W550 HydrophobicContact CG2-CZ3 3.63Å; V366-F551 HydrophobicContact CG2-CE1 4.05Å; V366-F627 HydrophobicContact CG2-CD1 4.47Å; V366-F627 HydrophobicContact CG2-CE1 3.76Å; V366-F627 HydrophobicContact CG2-CZ 4.36Å
367	Q	88.3	Confident	82	Confident	101 Å²	101	46.8 Å²	46.8	47%	0.472	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.1	173.3	-174.5	170.4	-18.7	0	0	109.8	S311 I312 Y313 D369	S311-Q367 PolarHBondContact O-N 3.06Å; I312-Q367 WeakPolarHBondContact CA-O 3.47Å; I312-Q367 HydrophobicContact CG1-CB 4.48Å; Y313-Q367 PolarHBondContact N-O 2.94Å; Q367-D369 VanDerWaalsContact NE2-CG 3.34Å; Q367-D369 PolarHBondContact NE2-OD1 3.39Å; Q367-D369 PolarHBondContact NE2-OD2 2.83Å
368	V	86.8	Confident	81.6	Confident	18 Å²	18	45.5 Å²	45.5	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107	174.7	-174.8	0	0	0	0	107.7	Y313 V315 F359 W362 V366 F370	Y313-V368 WeakPolarHBondContact O-CA 3.34Å; V315-V368 HydrophobicContact CG2-CG1 3.71Å; F359-V368 HydrophobicContact CB-CB 4.15Å; F359-V368 HydrophobicContact CB-CG2 4.03Å; F359-V368 HydrophobicContact CD1-CG2 4.13Å; F359-V368 HydrophobicContact CG-CB 4.25Å; F359-V368 HydrophobicContact CG-CG2 4.07Å; W362-V368 HydrophobicContact CE3-CG2 3.79Å; W362-V368 HydrophobicContact CZ3-CG2 3.77Å; V366-V368 HydrophobicContact CG1-CG2 4.46Å; V368-F370 HydrophobicContact CB-CE2 4.21Å; V368-F370 HydrophobicContact CG1-CD2 4.49Å; V368-F370 HydrophobicContact CG1-CE1 4.4Å; V368-F370 HydrophobicContact CG1-CE2 3.69Å; V368-F370 HydrophobicContact CG1-CZ 3.64Å
369	D	86.6	Confident	81.2	Confident	44 Å²	44	46.3 Å²	46.3	24%	0.235	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.7	-179.7	-72.9	-38	0	0	0	110.3	Y313 V315 Q367 Y371	Y313-D369 PolarHBondContact O-N 3.24Å; V315-D369 PolarHBondContact N-O 3.41Å; Q367-D369 VanDerWaalsContact NE2-CG 3.34Å; Q367-D369 PolarHBondContact NE2-OD1 3.39Å; Q367-D369 PolarHBondContact NE2-OD2 2.83Å; D369-Y371 HydrophobicContact CB-CE2 3.97Å
370	F	85	Confident	80.8	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122	-176.8	-69.4	-87.4	0	0	0	110.8	V315 L351 K352 V355 G356 F359 V368 I506	V315-F370 HydrophobicContact CB-CD1 4.02Å; V315-F370 HydrophobicContact CB-CE1 4.05Å; V315-F370 HydrophobicContact CG1-CD1 4.21Å; V315-F370 HydrophobicContact CG1-CE1 4.12Å; V315-F370 HydrophobicContact CG2-CE1 4.43Å; V315-F370 WeakPolarHBondContact O-CA 3.46Å; L351-F370 HydrophobicContact CB-CB 4.5Å; L351-F370 HydrophobicContact CB-CD1 4.47Å; K352-F370 HydrophobicContact CG-CB 4.47Å; V355-F370 HydrophobicContact CB-CE1 4.41Å; V355-F370 HydrophobicContact CG1-CE1 3.58Å; V355-F370 HydrophobicContact CG1-CZ 3.68Å; G356-F370 VanDerWaalsContact CA-CE2 3.48Å; F359-F370 HydrophobicContact CD2-CE2 4.09Å; F359-F370 AromaticContact CD2-CZ 3.7Å; F359-F370 HydrophobicContact CD2-CZ 3.7Å; F359-F370 AromaticContact CE2-CZ 3.8Å; F359-F370 HydrophobicContact CE2-CZ 3.8Å; V368-F370 HydrophobicContact CB-CE2 4.21Å; V368-F370 HydrophobicContact CG1-CD2 4.49Å; V368-F370 HydrophobicContact CG1-CE1 4.4Å; V368-F370 HydrophobicContact CG1-CE2 3.69Å; V368-F370 HydrophobicContact CG1-CZ 3.64Å; F370-I506 HydrophobicContact CE1-CD1 3.79Å; F370-I506 HydrophobicContact CZ-CD1 4.25Å
371	Y	84.2	Confident	80.5	Confident	111 Å²	111	45.5 Å²	45.5	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	159.4	170.5	-58.6	-83.9	0	0	0	109.3	D314 V315 T316 V317 D369	D314-Y371 HydrophobicContact CB-CD2 4.2Å; D314-Y371 HydrophobicContact CB-CE2 3.85Å; V315-Y371 PolarHBondContact O-N 2.89Å; T316-Y371 WeakPolarHBondContact CA-O 3.23Å; V317-Y371 PolarHBondContact N-O 2.92Å; D369-Y371 HydrophobicContact CB-CE2 3.97Å
372	S	83.2	Confident	80.4	Confident	31 Å²	31	50.8 Å²	50.8	22%	0.217	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.8	175.4	80.5	0	0	0	0	112.4	V317 P347 I348	V317-S372 CarbonylContact O-C 3.42Å; V317-S372 VanDerWaalsContact O-CA 3.23Å; V317-S372 WeakPolarHBondContact O-CA 3.11Å; P347-S372 VanDerWaalsContact CD-OG 3.3Å; P347-S372 WeakPolarHBondContact CD-OG 3.44Å; P347-S372 WeakPolarHBondContact CG-OG 3.44Å; I348-S372 WeakPolarHBondContact CG1-OG 3.32Å
373	Q	78.6	Confident	80.3	Confident	69 Å²	69	52.8 Å²	52.8	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	173	-171.8	178.9	8.8	0	0	108.7	V317 T318 V319	V317-Q373 PolarHBondContact O-N 3.49Å; T318-Q373 CarbonylContact C-O 3.55Å; T318-Q373 VanDerWaalsContact CA-O 3.23Å; T318-Q373 WeakPolarHBondContact CA-O 3.48Å; V319-Q373 PolarHBondContact N-O 3.32Å
374	R	76.2	Confident	80.3	Confident	65 Å²	65	52.7 Å²	52.7	25%	0.245	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.5	170.1	178.9	173.1	169.7	-154.4	-5.9	109.4	T321 D323 L344	T321-R374 HydrophobicContact CG2-CG 4.34Å; T321-R374 PolarHBondContact OG1-NE 2.83Å; T321-R374 VanDerWaalsContact OG1-NE 3.08Å; T321-R374 PolarHBondContact OG1-NH2 2.82Å; D323-R374 PolarHBondContact O-NH2 2.89Å; L344-R374 WeakPolarHBondContact O-CD 3.43Å; L344-R374 PolarHBondContact O-NH1 3.17Å
375	L	75.1	Confident	80.4	Confident	19 Å²	19	57.2 Å²	57.2	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113	168.6	-62.4	174.6	0	0	0	108.3	T318 V319 L320 T321 V378 F412 L413	T318-L375 HydrophobicContact CG2-CD1 4.02Å; T318-L375 HydrophobicContact CG2-CG 4.05Å; V319-L375 PolarHBondContact O-N 3.47Å; L320-L375 HydrophobicContact CD2-CB 3.82Å; L320-L375 HydrophobicContact CD2-CD1 3.67Å; L320-L375 HydrophobicContact CD2-CG 4.25Å; T321-L375 PolarHBondContact N-O 3.01Å; T321-L375 VanDerWaalsContact N-O 3.13Å; T321-L375 PolarHBondContact OG1-O 3.45Å; L375-V378 HydrophobicContact CB-CB 4.25Å; L375-V378 HydrophobicContact CB-CG2 4.28Å; L375-F412 HydrophobicContact CD1-CB 3.87Å; L375-F412 HydrophobicContact CD2-CB 4.29Å; L375-L413 HydrophobicContact CD1-CD2 3.61Å; L375-L413 HydrophobicContact CD1-CG 4Å; L375-L413 HydrophobicContact CG-CD2 4.26Å
376	Y	72.7	Confident	80.3	Confident	157 Å²	157	57.7 Å²	57.7	62%	0.616	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	147.5	178.3	62.1	-86.7	0	0	0	110.6	V378	Y376-V378 PolarHBondContact O-N 3.44Å
377	G	69.6	Low	80.4	Confident	48 Å²	48	61.8 Å²	61.8	50%	0.495	30%	0.303	S	S	.	.	S	Bend	trans	69.3	8.4	-178.4	0	0	0	0	0	114.7	T321	T321-G377 PolarHBondContact O-N 2.92Å
378	V	72.5	Confident	80.3	Confident	15 Å²	15	62.2 Å²	62.2	9%	0.091	31%	0.308	C	S	.	.			trans	-113.6	121.9	-179.3	-177	0	0	0	0	108.7	L320 T321 L375 Y376 L383 L409 F412	L320-V378 HydrophobicContact CD2-CB 4.44Å; L320-V378 HydrophobicContact CD2-CG1 4.15Å; T321-V378 CarbonylContact C-O 3.57Å; T321-V378 PolarHBondContact N-O 2.83Å; T321-V378 PolarHBondContact O-N 3.25Å; L375-V378 HydrophobicContact CB-CB 4.25Å; L375-V378 HydrophobicContact CB-CG2 4.28Å; Y376-V378 PolarHBondContact O-N 3.44Å; V378-L383 HydrophobicContact CG1-CD1 3.75Å; V378-L383 HydrophobicContact CG1-CG 4.32Å; V378-L409 HydrophobicContact CG1-CD2 4.19Å; V378-F412 HydrophobicContact CG2-CD1 4.17Å; V378-F412 HydrophobicContact CG2-CE1 4.01Å; V378-F412 HydrophobicContact CG2-CZ 4.31Å
379	S	74.4	Confident	80.4	Confident	18 Å²	18	61.8 Å²	61.8	13%	0.126	31%	0.306	C	S	.	.			trans	-126	139.8	173.9	159.5	0	0	0	0	110.7	L322 E381 L382 L383	L322-S379 WeakPolarHBondContact CD1-OG 3.3Å; L322-S379 VanDerWaalsContact CG-CB 3.47Å; S379-E381 PolarHBondContact O-N 2.88Å; S379-E381 PolarHBondContact OG-N 3.31Å; S379-E381 VanDerWaalsContact OG-N 3.15Å; S379-L382 WeakPolarHBondContact O-CB 3.48Å; S379-L382 PolarHBondContact O-N 3.28Å; S379-L382 VanDerWaalsContact O-N 3.09Å; S379-L383 WeakPolarHBondContact O-CG 3.13Å; S379-L383 PolarHBondContact O-N 2.94Å
380	A	76.3	Confident	80.3	Confident	5 Å²	5	70.1 Å²	70.1	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-57.3	-39.8	174.7	0	0	0	0	0	112	L382 L383 K384 Y397 L405 L438	A380-L382 VanDerWaalsContact C-N 3.27Å; A380-L382 PolarHBondContact O-N 3.41Å; A380-L383 PolarHBondContact O-N 2.72Å; A380-K384 CarbonylContact O-C 3.59Å; A380-K384 PolarHBondContact O-N 3.42Å; A380-Y397 VanDerWaalsContact C-OH 3.23Å; A380-Y397 HydrophobicContact CB-CE2 4.32Å; A380-Y397 PolarHBondContact O-OH 2.95Å; A380-Y397 VanDerWaalsContact O-OH 3.13Å; A380-L405 HydrophobicContact CB-CD1 3.89Å; A380-L405 HydrophobicContact CB-CD2 3.98Å; A380-L438 HydrophobicContact CB-CD1 4.21Å; A380-L438 HydrophobicContact CB-CD2 3.42Å; A380-L438 VanDerWaalsContact CB-CD2 3.42Å; A380-L438 HydrophobicContact CB-CG 4.49Å
381	E	76.2	Confident	80.2	Confident	80 Å²	80	74 Å²	74	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-26.9	179	-66.9	-133.2	145.5	0	0	113.3	S379 S386	S379-E381 PolarHBondContact O-N 2.88Å; S379-E381 PolarHBondContact OG-N 3.31Å; S379-E381 VanDerWaalsContact OG-N 3.15Å; E381-S386 PolarHBondContact OE1-OG 3.26Å
382	L	77.1	Confident	80.1	Confident	120 Å²	120	70.2 Å²	70.2	63%	0.628	36%	0.359	S	S	*	.	H	α-helix	trans	-75.7	-40.4	173.7	-77.6	169.3	0	0	0	111.6	L322 S379 A380	L322-L382 HydrophobicContact CD1-CD1 4.4Å; L322-L382 HydrophobicContact CD2-CD1 4.05Å; L322-L382 HydrophobicContact CG-CD1 4.12Å; S379-L382 WeakPolarHBondContact O-CB 3.48Å; S379-L382 PolarHBondContact O-N 3.28Å; S379-L382 VanDerWaalsContact O-N 3.09Å; A380-L382 VanDerWaalsContact C-N 3.27Å; A380-L382 PolarHBondContact O-N 3.41Å
383	L	81.6	Confident	80.1	Confident	43 Å²	43	74.1 Å²	74.1	23%	0.225	38%	0.378	C	S	.	.	H	α-helix	trans	-70.2	-46.4	178.1	-66	176.5	0	0	0	111.3	V378 S379 A380 L405 L409 F412	V378-L383 HydrophobicContact CG1-CD1 3.75Å; V378-L383 HydrophobicContact CG1-CG 4.32Å; S379-L383 WeakPolarHBondContact O-CG 3.13Å; S379-L383 PolarHBondContact O-N 2.94Å; A380-L383 PolarHBondContact O-N 2.72Å; L383-L405 HydrophobicContact CB-CD1 3.94Å; L383-L405 HydrophobicContact CD1-CD1 4.1Å; L383-L409 HydrophobicContact CD1-CD2 3.57Å; L383-L409 HydrophobicContact CD1-CG 4.04Å; L383-F412 HydrophobicContact CD2-CE2 3.99Å; L383-F412 HydrophobicContact CD2-CZ 4.49Å
384	K	83.7	Confident	80.4	Confident	62 Å²	62	73 Å²	73	27%	0.27	37%	0.371	S	S	.	.	S	Bend	trans	-147.5	116.7	-179.4	177.3	64.1	-176.1	-167.1	0	109.4	A380 S386 Y397 D401 L405	A380-K384 CarbonylContact O-C 3.59Å; A380-K384 PolarHBondContact O-N 3.42Å; K384-S386 PolarHBondContact O-N 3.05Å; K384-Y397 HydrophobicContact CB-CE1 4.36Å; K384-Y397 HydrophobicContact CG-CE1 3.94Å; K384-Y397 VanDerWaalsContact O-CE1 3.24Å; K384-Y397 WeakPolarHBondContact O-CE1 3.31Å; K384-Y397 VanDerWaalsContact O-CZ 3.31Å; K384-Y397 PolarHBondContact O-OH 3.21Å; K384-D401 WeakPolarHBondContact CE-OD1 3.34Å; K384-D401 IonicContact NZ-OD1 2.67Å; K384-D401 PolarHBondContact NZ-OD1 3.23Å; K384-L405 HydrophobicContact CB-CD1 4.36Å
385	K	84.8	Confident	80.9	Confident	170 Å²	170	70.5 Å²	70.5	74%	0.739	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-63.8	133.2	176.7	-73.2	-175.7	176.4	-178.3	0	111.5
386	S	85.6	Confident	81.6	Confident	24 Å²	24	70.8 Å²	70.8	17%	0.168	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-72.7	157.4	173.1	66.8	0	0	0	0	110.7	E381 K384 T395	E381-S386 PolarHBondContact OE1-OG 3.26Å; K384-S386 PolarHBondContact O-N 3.05Å; S386-T395 VanDerWaalsContact OG-CB 3.31Å; S386-T395 WeakPolarHBondContact OG-CB 3.08Å
387	Q	89.3	Confident	82.4	Confident	87 Å²	87	63.3 Å²	63.3	41%	0.407	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	145.4	177	-58.5	-174.8	22.3	0	0	110.3	T395 F396 D401	Q387-T395 CarbonylContact O-C 3.44Å; Q387-T395 WeakPolarHBondContact O-CA 3.27Å; Q387-F396 HydrophobicContact CB-CD1 4.1Å; Q387-F396 HydrophobicContact CB-CD2 4.27Å; Q387-F396 HydrophobicContact CB-CE1 3.65Å; Q387-F396 HydrophobicContact CB-CE2 3.84Å; Q387-F396 HydrophobicContact CB-CG 4.39Å; Q387-F396 HydrophobicContact CB-CZ 3.51Å; Q387-F396 HydrophobicContact CG-CE2 4.32Å; Q387-F396 HydrophobicContact CG-CZ 4.31Å; Q387-F396 PolarHBondContact N-O 3.27Å; Q387-F396 WeakPolarHBondContact O-CD1 3.34Å; Q387-F396 PolarHBondContact O-N 3.01Å; Q387-F396 VanDerWaalsContact OE1-CZ 3.23Å; Q387-D401 PolarHBondContact NE2-OD2 3.07Å
388	L	87.7	Confident	83.3	Confident	110 Å²	110	62.3 Å²	62.3	58%	0.576	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.4	176.5	-166.6	73.1	0	0	0	110.5	T395 L454	L388-T395 HydrophobicContact CD1-CG2 4.06Å; L388-L454 HydrophobicContact CD1-CD1 3.46Å; L388-L454 VanDerWaalsContact CD1-CD1 3.46Å
389	S	88.6	Confident	83.8	Confident	9 Å²	9	66 Å²	66	6%	0.063	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-57.2	148.4	172.2	175.1	0	0	0	0	111.7	T391 G392 Y394	S389-T391 PolarHBondContact O-N 3.02Å; S389-T391 VanDerWaalsContact O-N 3.11Å; S389-T391 PolarHBondContact OG-N 2.91Å; S389-T391 PolarHBondContact OG-OG1 3.48Å; S389-T391 VanDerWaalsContact OG-OG1 3.07Å; S389-G392 PolarHBondContact O-N 2.85Å; S389-Y394 VanDerWaalsContact CB-CZ 3.5Å; S389-Y394 WeakPolarHBondContact CB-O 3.22Å; S389-Y394 PolarHBondContact N-O 2.82Å; S389-Y394 WeakPolarHBondContact OG-CE1 3.28Å; S389-Y394 PolarHBondContact OG-OH 2.9Å
390	K	85	Confident	84.3	Confident	220 Å²	220	70.8 Å²	70.8	96%	0.957	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.3	173.2	-66.3	-176.6	-179.7	178.4	0	112.8
391	T	82	Confident	84.9	Confident	91 Å²	91	71.1 Å²	71.1	56%	0.558	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.3	177.8	58	0	0	0	0	113.4	S389 N393	S389-T391 PolarHBondContact O-N 3.02Å; S389-T391 VanDerWaalsContact O-N 3.11Å; S389-T391 PolarHBondContact OG-N 2.91Å; S389-T391 PolarHBondContact OG-OG1 3.48Å; S389-T391 VanDerWaalsContact OG-OG1 3.07Å; T391-N393 PolarHBondContact O-N 3.39Å; T391-N393 PolarHBondContact O-OD1 2.99Å
392	G	81.5	Confident	85.4	Confident	32 Å²	32	67.7 Å²	67.7	33%	0.33	35%	0.345	S	S	.	.	S	Bend	trans	72.7	1.1	-176	0	0	0	0	0	115.1	S389 L454	S389-G392 PolarHBondContact O-N 2.85Å; G392-L454 WeakPolarHBondContact O-CD2 3.45Å
393	N	83.7	Confident	85.7	Confident	112 Å²	112	64.8 Å²	64.8	60%	0.599	34%	0.335	S	S	*	.	S	Bend	trans	-83.5	-16.8	-173.1	-66.6	-6.1	0	0	0	114.2	T391 P455	T391-N393 PolarHBondContact O-N 3.39Å; T391-N393 PolarHBondContact O-OD1 2.99Å; N393-P455 WeakPolarHBondContact O-CD 3.47Å; N393-P455 WeakPolarHBondContact O-CG 3.36Å
394	Y	84.8	Confident	85.9	Confident	45 Å²	45	66 Å²	66	18%	0.176	34%	0.342	C	S	.	.			trans	-155.6	159.6	-175.5	63.6	-92.8	0	0	0	110.7	S389 F396 P455 R457 H459 I468	S389-Y394 VanDerWaalsContact CB-CZ 3.5Å; S389-Y394 WeakPolarHBondContact CB-O 3.22Å; S389-Y394 PolarHBondContact N-O 2.82Å; S389-Y394 WeakPolarHBondContact OG-CE1 3.28Å; S389-Y394 PolarHBondContact OG-OH 2.9Å; Y394-F396 HydrophobicContact CD2-CB 4.32Å; Y394-F396 HydrophobicContact CE2-CB 4.19Å; Y394-F396 HydrophobicContact CE2-CD1 4.22Å; Y394-P455 WeakPolarHBondContact CA-O 3.42Å; Y394-P455 VanDerWaalsContact CB-O 3.29Å; Y394-P455 WeakPolarHBondContact CB-O 3.35Å; Y394-R457 HydrophobicContact CD2-CB 4.04Å; Y394-R457 HydrophobicContact CD2-CG 3.98Å; Y394-R457 HydrophobicContact CE2-CB 4.46Å; Y394-R457 HydrophobicContact CG-CG 4.26Å; Y394-H459 AromaticContact CE2-NE2 3.47Å; Y394-H459 WeakPolarHBondContact CE2-NE2 3.5Å; Y394-H459 AromaticContact CZ-NE2 3.97Å; Y394-I468 HydrophobicContact CE2-CG2 4.43Å; Y394-I468 WeakPolarHBondContact OH-CD1 3.23Å
395	T	87.3	Confident	86	Confident	13 Å²	13	63.1 Å²	63.1	8%	0.08	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	154.6	167.6	57.5	0	0	0	0	110.2	S386 Q387 L388 L454 P455 L456 R457	S386-T395 VanDerWaalsContact OG-CB 3.31Å; S386-T395 WeakPolarHBondContact OG-CB 3.08Å; Q387-T395 CarbonylContact O-C 3.44Å; Q387-T395 WeakPolarHBondContact O-CA 3.27Å; L388-T395 HydrophobicContact CD1-CG2 4.06Å; T395-L454 HydrophobicContact CG2-CB 4.06Å; T395-L454 HydrophobicContact CG2-CD1 4.07Å; T395-P455 PolarHBondContact N-O 2.94Å; T395-L456 CarbonylContact O-C 3.37Å; T395-L456 WeakPolarHBondContact O-CA 3.16Å; T395-L456 WeakPolarHBondContact OG1-CD1 3.46Å; T395-R457 PolarHBondContact O-N 2.87Å
396	F	89.4	Confident	85.9	Confident	25 Å²	25	55.3 Å²	55.3	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.9	-178.4	71.8	-87.6	0	0	0	114.4	Q387 Y394 R457 H459	Q387-F396 HydrophobicContact CB-CD1 4.1Å; Q387-F396 HydrophobicContact CB-CD2 4.27Å; Q387-F396 HydrophobicContact CB-CE1 3.65Å; Q387-F396 HydrophobicContact CB-CE2 3.84Å; Q387-F396 HydrophobicContact CB-CG 4.39Å; Q387-F396 HydrophobicContact CB-CZ 3.51Å; Q387-F396 HydrophobicContact CG-CE2 4.32Å; Q387-F396 HydrophobicContact CG-CZ 4.31Å; Q387-F396 PolarHBondContact N-O 3.27Å; Q387-F396 WeakPolarHBondContact O-CD1 3.34Å; Q387-F396 PolarHBondContact O-N 3.01Å; Q387-F396 VanDerWaalsContact OE1-CZ 3.23Å; Y394-F396 HydrophobicContact CD2-CB 4.32Å; Y394-F396 HydrophobicContact CE2-CB 4.19Å; Y394-F396 HydrophobicContact CE2-CD1 4.22Å; F396-R457 CarbonylContact C-O 3.59Å; F396-R457 WeakPolarHBondContact CA-O 3.17Å; F396-H459 AromaticContact CD1-CE1 3.62Å; F396-H459 AromaticContact CD1-NE2 3.91Å; F396-H459 HydrophobicContact CD2-CB 4.05Å; F396-H459 AromaticContact CD2-CD2 3.89Å; F396-H459 AromaticContact CD2-CE1 3.46Å; F396-H459 VanDerWaalsContact CD2-CE1 3.46Å; F396-H459 WeakPolarHBondContact CD2-CE1 3.3Å; F396-H459 AromaticContact CD2-CG 3.47Å; F396-H459 VanDerWaalsContact CD2-CG 3.47Å; F396-H459 AromaticContact CD2-ND1 3.19Å; F396-H459 WeakPolarHBondContact CD2-ND1 3.47Å; F396-H459 AromaticContact CD2-NE2 3.9Å; F396-H459 AromaticContact CE1-CE1 3.88Å; F396-H459 AromaticContact CE2-CE1 3.74Å; F396-H459 AromaticContact CE2-ND1 3.38Å; F396-H459 WeakPolarHBondContact CE2-ND1 3.26Å; F396-H459 AromaticContact CG-CD2 3.81Å; F396-H459 AromaticContact CG-CE1 3.41Å; F396-H459 VanDerWaalsContact CG-CE1 3.41Å; F396-H459 WeakPolarHBondContact CG-CE1 3.36Å; F396-H459 AromaticContact CG-CG 3.88Å; F396-H459 AromaticContact CG-ND1 3.65Å; F396-H459 AromaticContact CG-NE2 3.52Å; F396-H459 AromaticContact CZ-CE1 3.93Å; F396-H459 AromaticContact CZ-ND1 3.97Å
397	Y	89.3	Confident	85.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	163	-70.7	-59.9	0	0	0	110.4	A380 K384 D401 L405 L456 R457 F458 H459	A380-Y397 VanDerWaalsContact C-OH 3.23Å; A380-Y397 HydrophobicContact CB-CE2 4.32Å; A380-Y397 PolarHBondContact O-OH 2.95Å; A380-Y397 VanDerWaalsContact O-OH 3.13Å; K384-Y397 HydrophobicContact CB-CE1 4.36Å; K384-Y397 HydrophobicContact CG-CE1 3.94Å; K384-Y397 VanDerWaalsContact O-CE1 3.24Å; K384-Y397 WeakPolarHBondContact O-CE1 3.31Å; K384-Y397 VanDerWaalsContact O-CZ 3.31Å; K384-Y397 PolarHBondContact O-OH 3.21Å; Y397-D401 HydrophobicContact CD1-CB 3.64Å; Y397-D401 HydrophobicContact CG-CB 4.28Å; Y397-L405 HydrophobicContact CD2-CD2 4.49Å; Y397-L405 HydrophobicContact CE2-CD2 4.09Å; Y397-L456 HydrophobicContact CD2-CD1 3.79Å; Y397-L456 HydrophobicContact CD2-CD2 4.07Å; Y397-L456 HydrophobicContact CD2-CG 4.33Å; Y397-L456 HydrophobicContact CE2-CD1 3.77Å; Y397-L456 HydrophobicContact CE2-CD2 3.74Å; Y397-L456 HydrophobicContact CE2-CG 4.32Å; Y397-R457 PolarHBondContact N-O 2.84Å; Y397-F458 HydrophobicContact CD2-CD1 4.41Å; Y397-F458 AromaticContact CD2-CE1 3.95Å; Y397-F458 HydrophobicContact CD2-CE1 3.95Å; Y397-H459 PolarHBondContact O-N 3.33Å
398	S	88.8	Confident	85.7	Confident	28 Å²	28	60.6 Å²	60.6	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	166.3	166.9	67.2	0	0	0	0	111.3	D400 D401 I402	S398-D400 PolarHBondContact O-N 2.56Å; S398-D401 PolarHBondContact N-OD2 2.75Å; S398-D401 PolarHBondContact O-N 2.81Å; S398-D401 PolarHBondContact OG-N 2.8Å; S398-D401 PolarHBondContact OG-OD2 3.4Å; S398-I402 WeakPolarHBondContact O-CG1 3.2Å; S398-I402 PolarHBondContact O-N 2.74Å
399	Q	83.4	Confident	85.5	Confident	93 Å²	93	55.4 Å²	55.4	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-49.2	-42.4	174.1	-171.1	100.6	-2.3	0	0	112.8	I402 S403 P461	Q399-I402 PolarHBondContact O-N 3.08Å; Q399-S403 PolarHBondContact O-N 2.88Å; Q399-S403 VanDerWaalsContact O-N 3.13Å; Q399-S403 PolarHBondContact O-OG 3.14Å; Q399-P461 HydrophobicContact CB-CG 4.36Å
400	D	85	Confident	85.2	Confident	118 Å²	118	58.5 Å²	58.5	63%	0.631	30%	0.303	S	S	*	.	H	α-helix	trans	-70	-37.2	179.4	-61.4	-29.6	0	0	0	111.4	S398 S403 N404	S398-D400 PolarHBondContact O-N 2.56Å; D400-S403 PolarHBondContact O-N 3.46Å; D400-N404 PolarHBondContact O-N 3.08Å; D400-N404 VanDerWaalsContact O-N 3.13Å; D400-N404 PolarHBondContact O-ND2 3.04Å
401	D	88.8	Confident	85	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.059	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-36.9	176.3	-60.3	-48.3	0	0	0	111.6	K384 Q387 Y397 S398 N404 L405	K384-D401 WeakPolarHBondContact CE-OD1 3.34Å; K384-D401 IonicContact NZ-OD1 2.67Å; K384-D401 PolarHBondContact NZ-OD1 3.23Å; Q387-D401 PolarHBondContact NE2-OD2 3.07Å; Y397-D401 HydrophobicContact CD1-CB 3.64Å; Y397-D401 HydrophobicContact CG-CB 4.28Å; S398-D401 PolarHBondContact N-OD2 2.75Å; S398-D401 PolarHBondContact O-N 2.81Å; S398-D401 PolarHBondContact OG-N 2.8Å; S398-D401 PolarHBondContact OG-OD2 3.4Å; D401-N404 PolarHBondContact O-N 2.6Å; D401-L405 WeakPolarHBondContact O-CB 3.36Å; D401-L405 PolarHBondContact O-N 3.02Å
402	I	85.9	Confident	84.8	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.046	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175.9	-65.6	163.5	0	0	0	110.5	S398 Q399 N404 L405 I406 F458 A472 V474	S398-I402 WeakPolarHBondContact O-CG1 3.2Å; S398-I402 PolarHBondContact O-N 2.74Å; Q399-I402 PolarHBondContact O-N 3.08Å; I402-N404 VanDerWaalsContact C-N 3.32Å; I402-N404 PolarHBondContact O-N 2.93Å; I402-L405 PolarHBondContact O-N 3.36Å; I402-I406 HydrophobicContact CG2-CD1 4.44Å; I402-I406 PolarHBondContact O-N 3.5Å; I402-F458 HydrophobicContact CD1-CB 4.24Å; I402-F458 HydrophobicContact CD1-CD1 3.77Å; I402-F458 HydrophobicContact CD1-CG 4.36Å; I402-F458 HydrophobicContact CG1-CD1 3.93Å; I402-F458 HydrophobicContact CG1-CE1 4.42Å; I402-A472 HydrophobicContact CD1-CB 3.76Å; I402-V474 HydrophobicContact CG2-CG2 3.63Å
403	S	83.3	Confident	84.7	Confident	59 Å²	59	52.5 Å²	52.5	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-43	179.3	-55.6	0	0	0	0	111.3	Q399 D400 I406 N407	Q399-S403 PolarHBondContact O-N 2.88Å; Q399-S403 VanDerWaalsContact O-N 3.13Å; Q399-S403 PolarHBondContact O-OG 3.14Å; D400-S403 PolarHBondContact O-N 3.46Å; S403-I406 PolarHBondContact O-N 3.41Å; S403-N407 PolarHBondContact O-N 2.9Å; S403-N407 VanDerWaalsContact O-N 3.17Å; S403-N407 PolarHBondContact O-ND2 3.18Å
404	N	86.3	Confident	84.1	Confident	69 Å²	69	48.5 Å²	48.5	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-43.7	176	-72.9	-46	0	0	0	112.7	D400 D401 I402 I406 N407 Y408	D400-N404 PolarHBondContact O-N 3.08Å; D400-N404 VanDerWaalsContact O-N 3.13Å; D400-N404 PolarHBondContact O-ND2 3.04Å; D401-N404 PolarHBondContact O-N 2.6Å; I402-N404 VanDerWaalsContact C-N 3.32Å; I402-N404 PolarHBondContact O-N 2.93Å; N404-I406 PolarHBondContact O-N 3.28Å; N404-N407 PolarHBondContact O-N 2.91Å; N404-Y408 WeakPolarHBondContact O-CD2 3.48Å; N404-Y408 PolarHBondContact O-N 3.11Å
405	L	86.5	Confident	83.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-40.3	177.4	177.3	63.9	0	0	0	111	A380 L383 K384 Y397 D401 I402 Y408 L409 L480	A380-L405 HydrophobicContact CB-CD1 3.89Å; A380-L405 HydrophobicContact CB-CD2 3.98Å; L383-L405 HydrophobicContact CB-CD1 3.94Å; L383-L405 HydrophobicContact CD1-CD1 4.1Å; K384-L405 HydrophobicContact CB-CD1 4.36Å; Y397-L405 HydrophobicContact CD2-CD2 4.49Å; Y397-L405 HydrophobicContact CE2-CD2 4.09Å; D401-L405 WeakPolarHBondContact O-CB 3.36Å; D401-L405 PolarHBondContact O-N 3.02Å; I402-L405 PolarHBondContact O-N 3.36Å; L405-Y408 WeakPolarHBondContact O-CB 3.39Å; L405-Y408 PolarHBondContact O-N 3.27Å; L405-L409 HydrophobicContact CD1-CD1 4.4Å; L405-L409 HydrophobicContact CG-CD1 4.08Å; L405-L409 WeakPolarHBondContact O-CG 3.49Å; L405-L409 PolarHBondContact O-N 2.95Å; L405-L480 HydrophobicContact CD2-CD2 3.63Å
406	I	82.8	Confident	81.9	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-39.6	179.7	-75.7	-177.7	0	0	0	112.8	I402 S403 N404 Y408 L409 E410 V474 W477 L480	I402-I406 HydrophobicContact CG2-CD1 4.44Å; I402-I406 PolarHBondContact O-N 3.5Å; S403-I406 PolarHBondContact O-N 3.41Å; N404-I406 PolarHBondContact O-N 3.28Å; I406-Y408 PolarHBondContact O-N 3.31Å; I406-L409 CarbonylContact O-C 3.6Å; I406-L409 PolarHBondContact O-N 2.87Å; I406-E410 WeakPolarHBondContact O-CB 3.47Å; I406-E410 PolarHBondContact O-N 2.9Å; I406-V474 HydrophobicContact CD1-CB 3.4Å; I406-V474 VanDerWaalsContact CD1-CB 3.4Å; I406-V474 HydrophobicContact CD1-CG1 3.18Å; I406-V474 HydrophobicContact CD1-CG2 3.23Å; I406-W477 HydrophobicContact CD1-CB 4.48Å; I406-W477 HydrophobicContact CG2-CD2 4.23Å; I406-W477 HydrophobicContact CG2-CG 4.01Å; I406-L480 HydrophobicContact CD1-CD1 3.85Å; I406-L480 HydrophobicContact CG1-CD1 3.99Å
407	N	83.7	Confident	80.2	Confident	98 Å²	98	53.3 Å²	53.3	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-35.8	173.3	-67	-18.8	0	0	0	111.6	S403 N404	S403-N407 PolarHBondContact O-N 2.9Å; S403-N407 VanDerWaalsContact O-N 3.17Å; S403-N407 PolarHBondContact O-ND2 3.18Å; N404-N407 PolarHBondContact O-N 2.91Å
408	Y	86	Confident	78.4	Confident	125 Å²	125	54.8 Å²	54.8	49%	0.49	30%	0.297	S	S	.	.	H	α-helix	trans	-69.2	-44.6	172.3	-69.4	-61.1	0	0	0	112.2	N404 L405 I406 E410 S411 F412	N404-Y408 WeakPolarHBondContact O-CD2 3.48Å; N404-Y408 PolarHBondContact O-N 3.11Å; L405-Y408 WeakPolarHBondContact O-CB 3.39Å; L405-Y408 PolarHBondContact O-N 3.27Å; I406-Y408 PolarHBondContact O-N 3.31Å; Y408-E410 VanDerWaalsContact C-N 3.32Å; Y408-E410 PolarHBondContact O-N 3.37Å; Y408-S411 PolarHBondContact O-N 3.48Å; Y408-S411 PolarHBondContact O-OG 3.23Å; Y408-F412 VanDerWaalsContact O-CD2 3.25Å; Y408-F412 WeakPolarHBondContact O-CD2 3.29Å
409	L	83.2	Confident	76.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-32.4	179.6	-70	173.9	0	0	0	113.1	L320 V378 L383 L405 I406 S411 F412 L413 I436	L320-L409 HydrophobicContact CD1-CD1 4Å; L320-L409 HydrophobicContact CD1-CD2 3.87Å; L320-L409 HydrophobicContact CD2-CD2 3.93Å; V378-L409 HydrophobicContact CG1-CD2 4.19Å; L383-L409 HydrophobicContact CD1-CD2 3.57Å; L383-L409 HydrophobicContact CD1-CG 4.04Å; L405-L409 HydrophobicContact CD1-CD1 4.4Å; L405-L409 HydrophobicContact CG-CD1 4.08Å; L405-L409 WeakPolarHBondContact O-CG 3.49Å; L405-L409 PolarHBondContact O-N 2.95Å; I406-L409 CarbonylContact O-C 3.6Å; I406-L409 PolarHBondContact O-N 2.87Å; L409-S411 PolarHBondContact O-N 3.27Å; L409-F412 WeakPolarHBondContact O-CA 3.43Å; L409-F412 WeakPolarHBondContact O-CB 3.06Å; L409-F412 PolarHBondContact O-N 2.89Å; L409-L413 HydrophobicContact CB-CD1 4.09Å; L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 2.96Å; L409-I436 HydrophobicContact CD1-CD1 3.96Å; L409-I436 HydrophobicContact CD1-CG2 4.18Å
410	E	81.7	Confident	74	Confident	74 Å²	74	56.7 Å²	56.7	35%	0.346	31%	0.305	S	S	.	.	H	α-helix	trans	-56.4	-36.8	175.4	177.7	168	-165.6	0	0	111.6	I406 Y408 F412 L413 G414 W477	I406-E410 WeakPolarHBondContact O-CB 3.47Å; I406-E410 PolarHBondContact O-N 2.9Å; Y408-E410 VanDerWaalsContact C-N 3.32Å; Y408-E410 PolarHBondContact O-N 3.37Å; E410-F412 PolarHBondContact O-N 3.44Å; E410-L413 PolarHBondContact O-N 3.04Å; E410-G414 WeakPolarHBondContact O-CA 3.4Å; E410-G414 PolarHBondContact O-N 3.44Å; E410-W477 HydrophobicContact CB-CH2 4.17Å; E410-W477 HydrophobicContact CB-CZ2 3.62Å; E410-W477 HydrophobicContact CG-CH2 4.39Å; E410-W477 HydrophobicContact CG-CZ2 3.75Å
411	S	80.9	Confident	71.9	Confident	93 Å²	93	52 Å²	52	65%	0.65	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-25.3	175.8	74.4	0	0	0	0	113.7	Y408 L409	Y408-S411 PolarHBondContact O-N 3.48Å; Y408-S411 PolarHBondContact O-OG 3.23Å; L409-S411 PolarHBondContact O-N 3.27Å
412	F	79.7	Confident	69.6	Low	97 Å²	97	58.9 Å²	58.9	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-95	-34.7	177.4	-62.7	-82.9	0	0	0	112.9	L375 V378 L383 Y408 L409 E410	L375-F412 HydrophobicContact CD1-CB 3.87Å; L375-F412 HydrophobicContact CD2-CB 4.29Å; V378-F412 HydrophobicContact CG2-CD1 4.17Å; V378-F412 HydrophobicContact CG2-CE1 4.01Å; V378-F412 HydrophobicContact CG2-CZ 4.31Å; L383-F412 HydrophobicContact CD2-CE2 3.99Å; L383-F412 HydrophobicContact CD2-CZ 4.49Å; Y408-F412 VanDerWaalsContact O-CD2 3.25Å; Y408-F412 WeakPolarHBondContact O-CD2 3.29Å; L409-F412 WeakPolarHBondContact O-CA 3.43Å; L409-F412 WeakPolarHBondContact O-CB 3.06Å; L409-F412 PolarHBondContact O-N 2.89Å; E410-F412 PolarHBondContact O-N 3.44Å
413	L	77.5	Confident	67.4	Low	26 Å²	26	61.1 Å²	61.1	14%	0.136	34%	0.337	C	S	.	.	H	α-helix	trans	-90.5	-18.6	-173.5	-67	173.5	0	0	0	113	T318 L375 L409 E410 I436 W477	T318-L413 HydrophobicContact CG2-CD2 3.75Å; L375-L413 HydrophobicContact CD1-CD2 3.61Å; L375-L413 HydrophobicContact CD1-CG 4Å; L375-L413 HydrophobicContact CG-CD2 4.26Å; L409-L413 HydrophobicContact CB-CD1 4.09Å; L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 2.96Å; E410-L413 PolarHBondContact O-N 3.04Å; L413-I436 HydrophobicContact CD1-CD1 4.12Å; L413-I436 HydrophobicContact CD1-CG1 4.38Å; L413-W477 HydrophobicContact CB-CH2 3.63Å; L413-W477 HydrophobicContact CB-CZ3 3.64Å; L413-W477 HydrophobicContact CD1-CE3 4.28Å; L413-W477 HydrophobicContact CD1-CH2 4.14Å; L413-W477 HydrophobicContact CD1-CZ3 3.53Å; L413-W477 HydrophobicContact CG-CZ3 4.21Å
414	G	72.5	Confident	65.3	Low	28 Å²	28	61.7 Å²	61.7	29%	0.289	34%	0.335	S	S	.	.			trans	80.8	-178	-169	0	0	0	0	0	111.9	E410 W477	E410-G414 WeakPolarHBondContact O-CA 3.4Å; E410-G414 PolarHBondContact O-N 3.44Å; G414-W477 WeakPolarHBondContact O-CH2 3.35Å
415	P	65.5	Low	63.1	Low	70 Å²	70	65.8 Å²	65.8	46%	0.455	36%	0.357	S	S	.	.	S	Bend	trans	-64.9	146	178.9	26.7	-33.8	0	0	0	111.3	Q417 Y420	P415-Q417 PolarHBondContact O-N 3.01Å; P415-Y420 HydrophobicContact CB-CE2 3.83Å; P415-Y420 HydrophobicContact CG-CE2 3.69Å; P415-Y420 WeakPolarHBondContact CG-OH 3.29Å
416	P	60.1	Low	61	Low	8 Å²	8	69.7 Å²	69.7	5%	0.052	38%	0.376	C	S	.	.			trans	-61.3	126.4	-176.8	19	-27.5	0	0	0	111.6	T418 A419 Q476 W477	P416-T418 PolarHBondContact O-N 2.96Å; P416-T418 VanDerWaalsContact O-N 3.17Å; P416-A419 HydrophobicContact CG-CB 3.98Å; P416-A419 PolarHBondContact O-N 3Å; P416-A419 VanDerWaalsContact O-N 3.12Å; P416-Q476 HydrophobicContact CB-CB 4.34Å; P416-Q476 WeakPolarHBondContact CB-O 3.26Å; P416-Q476 HydrophobicContact CG-CB 4.12Å; P416-W477 HydrophobicContact CB-CD2 4Å; P416-W477 HydrophobicContact CB-CE3 4.48Å; P416-W477 HydrophobicContact CB-CG 4.32Å; P416-W477 HydrophobicContact CB-CZ2 4.13Å; P416-W477 HydrophobicContact CG-CZ2 4.2Å
417	Q	54.5	Low	59.1	Low	107 Å²	107	71.9 Å²	71.9	50%	0.5	40%	0.395	S	S	.	.	H	α-helix	trans	-59	-29.2	176.8	-72.6	-177.2	-13.2	0	0	112.7	P415 A419 Y420	P415-Q417 PolarHBondContact O-N 3.01Å; Q417-A419 VanDerWaalsContact C-N 3.25Å; Q417-A419 PolarHBondContact O-N 3.25Å; Q417-Y420 PolarHBondContact O-N 3.27Å; Q417-Y420 VanDerWaalsContact O-N 3.13Å
418	T	50.3	Low	57.4	Low	30 Å²	30	77.7 Å²	77.7	18%	0.184	41%	0.41	C	S	.	.	H	α-helix	trans	-68.3	-26.4	-179	90.2	0	0	0	0	112.5	P416 Y420 G432 Q476	P416-T418 PolarHBondContact O-N 2.96Å; P416-T418 VanDerWaalsContact O-N 3.17Å; T418-Y420 VanDerWaalsContact C-N 3.3Å; T418-G432 WeakPolarHBondContact CG2-O 3.37Å; T418-Q476 WeakPolarHBondContact CB-O 3.37Å; T418-Q476 VanDerWaalsContact CG2-O 3.26Å; T418-Q476 WeakPolarHBondContact CG2-O 3.42Å; T418-Q476 WeakPolarHBondContact OG1-CA 3.22Å; T418-Q476 PolarHBondContact OG1-O 2.82Å
419	A	41.8	Very low	55.7	Low	41 Å²	41	73.5 Å²	73.5	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-75.4	-19.6	175.8	0	0	0	0	0	112.7	P416 Q417	P416-A419 HydrophobicContact CG-CB 3.98Å; P416-A419 PolarHBondContact O-N 3Å; P416-A419 VanDerWaalsContact O-N 3.12Å; Q417-A419 VanDerWaalsContact C-N 3.25Å; Q417-A419 PolarHBondContact O-N 3.25Å
420	Y	38	Very low	54.7	Low	120 Å²	120	75.8 Å²	75.8	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-78.2	-22.1	178.2	-80.3	-83.3	0	0	0	113.3	P415 Q417 T418 D422 S423 M426	P415-Y420 HydrophobicContact CB-CE2 3.83Å; P415-Y420 HydrophobicContact CG-CE2 3.69Å; P415-Y420 WeakPolarHBondContact CG-OH 3.29Å; Q417-Y420 PolarHBondContact O-N 3.27Å; Q417-Y420 VanDerWaalsContact O-N 3.13Å; T418-Y420 VanDerWaalsContact C-N 3.3Å; Y420-D422 PolarHBondContact O-N 2.83Å; Y420-S423 PolarHBondContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 3.16Å; Y420-S423 VanDerWaalsContact O-OG 3.05Å; Y420-M426 WeakPolarHBondContact O-CB 3.38Å
421	A	41.5	Very low	54	Low	21 Å²	21	72.8 Å²	72.8	17%	0.174	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.6	179.7	0	0	0	0	0	114.2	S429	A421-S429 VanDerWaalsContact CA-OG 3.29Å; A421-S429 WeakPolarHBondContact CA-OG 3.47Å
422	D	40.8	Very low	53.5	Low	154 Å²	154	68.5 Å²	68.5	82%	0.824	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2	-178.3	-73.1	-18.4	0	0	0	114	Y420	Y420-D422 PolarHBondContact O-N 2.83Å
423	S	38.6	Very low	53.4	Low	56 Å²	56	64.1 Å²	64.1	39%	0.392	35%	0.349	S	S	.	.	S	Bend	trans	-104	141	-177	67.1	0	0	0	0	112.9	Y420 D425 M426	Y420-S423 PolarHBondContact O-N 3.12Å; Y420-S423 PolarHBondContact O-OG 3.16Å; Y420-S423 VanDerWaalsContact O-OG 3.05Å; S423-D425 VanDerWaalsContact C-N 3.29Å; S423-D425 PolarHBondContact O-N 3.42Å; S423-M426 CarbonylContact O-C 3.54Å; S423-M426 WeakPolarHBondContact O-CA 3.37Å; S423-M426 WeakPolarHBondContact O-CB 3.45Å; S423-M426 PolarHBondContact O-N 2.74Å
424	L	38.6	Very low	53.6	Low	72 Å²	72	63.5 Å²	63.5	38%	0.377	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-46.2	-34.9	-165.2	-132.1	84.2	0	0	0	117	M426 F642 H644 L647	L424-M426 PolarHBondContact O-N 3.44Å; L424-F642 HydrophobicContact CD1-CB 3.78Å; L424-F642 HydrophobicContact CD1-CD1 4.13Å; L424-F642 HydrophobicContact CD1-CG 4.37Å; L424-F642 WeakPolarHBondContact CD1-O 3.34Å; L424-F642 WeakPolarHBondContact CD2-O 3.47Å; L424-F642 HydrophobicContact CG-CB 4.41Å; L424-F642 WeakPolarHBondContact CG-O 3.14Å; L424-H644 HydrophobicContact CD2-CB 4.12Å; L424-L647 HydrophobicContact CD1-CD1 3.87Å; L424-L647 HydrophobicContact CD2-CD1 4.29Å
425	D	41.2	Very low	54.1	Low	155 Å²	155	62.2 Å²	62.2	83%	0.829	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-76	-10.5	178.9	-74	-25.9	0	0	0	113.2	S423	S423-D425 VanDerWaalsContact C-N 3.29Å; S423-D425 PolarHBondContact O-N 3.42Å
426	M	41.9	Very low	55	Low	81 Å²	81	58.9 Å²	58.9	40%	0.399	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-124.3	17.9	-169	-72.4	-80	110.4	0	0	112.2	Y420 S423 L424 R428 S429	Y420-M426 WeakPolarHBondContact O-CB 3.38Å; S423-M426 CarbonylContact O-C 3.54Å; S423-M426 WeakPolarHBondContact O-CA 3.37Å; S423-M426 WeakPolarHBondContact O-CB 3.45Å; S423-M426 PolarHBondContact O-N 2.74Å; L424-M426 PolarHBondContact O-N 3.44Å; M426-R428 PolarHBondContact O-N 3.49Å; M426-S429 WeakPolarHBondContact CB-OG 3.36Å; M426-S429 WeakPolarHBondContact O-CB 3.48Å; M426-S429 PolarHBondContact O-N 3.03Å; M426-S429 PolarHBondContact O-OG 3.09Å; M426-S429 WeakPolarHBondContact SD-CB 3.19Å
427	A	42.5	Very low	56	Low	53 Å²	53	58.6 Å²	58.6	44%	0.438	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-9.1	169.3	0	0	0	0	0	113.4
428	R	48.2	Very low	57.1	Low	220 Å²	220	53.8 Å²	53.8	83%	0.83	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	0.2	170.6	-69.4	-174.5	178.4	-176	0.2	114.6	M426	M426-R428 PolarHBondContact O-N 3.49Å
429	S	50	Low	58.1	Low	36 Å²	36	53.4 Å²	53.4	25%	0.252	28%	0.283	S	S	.	.	S	Bend	trans	-76.3	133.1	176.3	78.3	0	0	0	0	109.6	A421 M426	A421-S429 VanDerWaalsContact CA-OG 3.29Å; A421-S429 WeakPolarHBondContact CA-OG 3.47Å; M426-S429 WeakPolarHBondContact CB-OG 3.36Å; M426-S429 WeakPolarHBondContact O-CB 3.48Å; M426-S429 PolarHBondContact O-N 3.03Å; M426-S429 PolarHBondContact O-OG 3.09Å; M426-S429 WeakPolarHBondContact SD-CB 3.19Å
430	N	63.2	Low	59.1	Low	50 Å²	50	52.9 Å²	52.9	27%	0.267	27%	0.274	S	S	.	.			trans	-68.1	140.7	180	-58.9	-34.1	0	0	0	108.7	I312 D314 G432	I312-N430 HydrophobicContact CB-CB 4.44Å; I312-N430 HydrophobicContact CG2-CB 4.37Å; I312-N430 VanDerWaalsContact CG2-ND2 3.3Å; I312-N430 WeakPolarHBondContact CG2-ND2 3.42Å; D314-N430 PolarHBondContact OD2-ND2 3.02Å; N430-G432 PolarHBondContact O-N 3.41Å
431	P	67.4	Low	60	Low	11 Å²	11	50 Å²	50	7%	0.071	27%	0.269	C	S	.	.			trans	-58.8	112.3	171.1	23.8	-31.7	0	0	0	109.4	L307 S310 Y313 D314	L307-P431 HydrophobicContact CD2-CB 4.39Å; S310-P431 VanDerWaalsContact CB-CD 3.45Å; S310-P431 WeakPolarHBondContact OG-CD 3.34Å; Y313-P431 HydrophobicContact CD1-CB 4.49Å; Y313-P431 HydrophobicContact CD1-CG 3.75Å; Y313-P431 HydrophobicContact CE1-CG 3.83Å; D314-P431 PolarHBondContact N-O 3.33Å
432	G	69.8	Low	60.6	Low	3 Å²	3	53.1 Å²	53.1	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.9	172.6	0	0	0	0	0	111	D314 T418 N430	D314-G432 CarbonylContact O-C 3.5Å; D314-G432 VanDerWaalsContact O-CA 3.27Å; D314-G432 WeakPolarHBondContact O-CA 3.33Å; T418-G432 WeakPolarHBondContact CG2-O 3.37Å; N430-G432 PolarHBondContact O-N 3.41Å
433	L	78.4	Confident	61.1	Low	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.4	167.7	174.2	66.9	0	0	0	108.1	L307 D314 V315 T316 L435 I506 I509	L307-L433 HydrophobicContact CD1-CB 4.26Å; L307-L433 HydrophobicContact CD1-CD1 4.15Å; D314-L433 PolarHBondContact O-N 3.12Å; V315-L433 CarbonylContact C-O 3.55Å; V315-L433 WeakPolarHBondContact CA-O 3.46Å; V315-L433 HydrophobicContact CG1-CD2 4.25Å; V315-L433 HydrophobicContact CG2-CB 4.34Å; V315-L433 HydrophobicContact CG2-CD2 4.25Å; T316-L433 PolarHBondContact N-O 3.13Å; L433-L435 HydrophobicContact CD1-CD2 4.3Å; L433-L435 HydrophobicContact CD2-CD1 4.22Å; L433-L435 HydrophobicContact CD2-CD2 4.12Å; L433-L435 HydrophobicContact CD2-CG 4.08Å; L433-L435 HydrophobicContact CG-CD2 4.16Å; L433-L435 HydrophobicContact CG-CG 4.1Å; L433-I506 HydrophobicContact CD2-CG1 4.26Å; L433-I509 HydrophobicContact CD1-CD1 3.71Å; L433-I509 HydrophobicContact CD1-CG2 4.04Å; L433-I509 HydrophobicContact CD2-CD1 4.13Å
434	H	80.6	Confident	61.5	Low	13 Å²	13	58 Å²	58	6%	0.06	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.4	173.1	-119.8	-94.7	0	0	0	110.2	T316 T318 W477 G479	T316-H434 VanDerWaalsContact CG2-NE2 3.33Å; T316-H434 WeakPolarHBondContact CG2-NE2 3.07Å; T316-H434 CarbonylContact O-C 3.09Å; T316-H434 WeakPolarHBondContact O-CA 3.44Å; T318-H434 PolarHBondContact OG1-CE1 3.25Å; T318-H434 PolarHBondContact OG1-ND1 3.24Å; H434-W477 CarbonylContact C-O 3.43Å; H434-W477 WeakPolarHBondContact CA-O 3.43Å; H434-W477 HydrophobicContact CB-CE3 4.28Å; H434-W477 WeakPolarHBondContact CB-O 3.13Å; H434-W477 PolarHBondContact N-O 3.43Å; H434-G479 PolarHBondContact O-N 3.23Å
435	L	83.3	Confident	61.9	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	115.5	173.7	-65.5	179	0	0	0	109.3	V315 T316 V317 T318 L433 G479 I481 I502 V505 I506 I509	V315-L435 HydrophobicContact CG1-CD1 3.94Å; V315-L435 HydrophobicContact CG1-CG 4.38Å; T316-L435 PolarHBondContact O-N 2.8Å; V317-L435 CarbonylContact C-O 3.53Å; V317-L435 WeakPolarHBondContact CA-O 3.44Å; V317-L435 HydrophobicContact CG2-CB 4.41Å; T318-L435 PolarHBondContact N-O 3.31Å; L433-L435 HydrophobicContact CD1-CD2 4.3Å; L433-L435 HydrophobicContact CD2-CD1 4.22Å; L433-L435 HydrophobicContact CD2-CD2 4.12Å; L433-L435 HydrophobicContact CD2-CG 4.08Å; L433-L435 HydrophobicContact CG-CD2 4.16Å; L433-L435 HydrophobicContact CG-CG 4.1Å; L435-G479 WeakPolarHBondContact CA-O 3.36Å; L435-I481 HydrophobicContact CD1-CD1 4.3Å; L435-I481 HydrophobicContact CD2-CD1 4.2Å; L435-I502 HydrophobicContact CD1-CG2 4.39Å; L435-V505 HydrophobicContact CD2-CG1 4.06Å; L435-I506 HydrophobicContact CD1-CD1 4.08Å; L435-I506 HydrophobicContact CD1-CG1 3.64Å; L435-I509 HydrophobicContact CD2-CD1 4.1Å
436	I	84	Confident	62.3	Low	1 Å²	1	59 Å²	59	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111	178.3	-62.7	160.9	0	0	0	108.1	L320 L409 L413 G479 L480 I481	L320-I436 HydrophobicContact CD1-CG2 3.41Å; L320-I436 VanDerWaalsContact CD1-CG2 3.41Å; L320-I436 HydrophobicContact CG-CG2 3.92Å; L409-I436 HydrophobicContact CD1-CD1 3.96Å; L409-I436 HydrophobicContact CD1-CG2 4.18Å; L413-I436 HydrophobicContact CD1-CD1 4.12Å; L413-I436 HydrophobicContact CD1-CG1 4.38Å; I436-G479 PolarHBondContact N-O 2.85Å; I436-L480 HydrophobicContact CB-CD1 4.07Å; I436-L480 HydrophobicContact CB-CG 4.15Å; I436-L480 HydrophobicContact CD1-CD1 3.81Å; I436-L480 HydrophobicContact CG2-CD1 4.39Å; I436-L480 HydrophobicContact CG2-CG 4.29Å; I436-I481 PolarHBondContact O-N 3.39Å
437	L	80.8	Confident	62.5	Low	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.5	176.6	-66.8	168.4	0	0	0	110.1	V317 T318 V319 L320 M343 I481 I483 I502	V317-L437 HydrophobicContact CG1-CD1 3.14Å; V317-L437 HydrophobicContact CG1-CG 3.85Å; T318-L437 PolarHBondContact O-N 3.44Å; V319-L437 HydrophobicContact CG2-CD1 4.14Å; L320-L437 PolarHBondContact N-O 3.37Å; M343-L437 HydrophobicContact CE-CD1 3.29Å; M343-L437 HydrophobicContact SD-CD1 4.1Å; L437-I481 WeakPolarHBondContact CA-O 3.49Å; L437-I481 HydrophobicContact CD2-CB 3.9Å; L437-I481 HydrophobicContact CD2-CD1 4.23Å; L437-I481 HydrophobicContact CD2-CG2 4.03Å; L437-I483 HydrophobicContact CD2-CD1 3.51Å; L437-I483 HydrophobicContact CD2-CG1 4.29Å; L437-I483 HydrophobicContact CG-CD1 4.49Å; L437-I502 HydrophobicContact CD1-CD1 4.34Å; L437-I502 HydrophobicContact CD2-CD1 4.12Å; L437-I502 HydrophobicContact CD2-CG1 4.26Å
438	L	77.6	Confident	63	Low	7 Å²	7	64.6 Å²	64.6	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	101.6	170.7	-65	173.1	0	0	0	108.9	L320 A380 L456 F458 L480 I481 I483	L320-L438 HydrophobicContact CB-CD2 4.21Å; L320-L438 HydrophobicContact CD1-CD2 3.4Å; L320-L438 HydrophobicContact CD1-CG 4.48Å; L320-L438 HydrophobicContact CG-CD2 4.34Å; A380-L438 HydrophobicContact CB-CD1 4.21Å; A380-L438 HydrophobicContact CB-CD2 3.42Å; A380-L438 VanDerWaalsContact CB-CD2 3.42Å; A380-L438 HydrophobicContact CB-CG 4.49Å; L438-L456 HydrophobicContact CD1-CD2 3.62Å; L438-F458 HydrophobicContact CD1-CZ 4.1Å; L438-L480 HydrophobicContact CD1-CD2 3.56Å; L438-L480 HydrophobicContact CD1-CG 4.42Å; L438-L480 HydrophobicContact CG-CD2 4.35Å; L438-I481 PolarHBondContact N-O 3.07Å; L438-I483 PolarHBondContact O-N 3.02Å
439	L	71.3	Confident	63	Low	21 Å²	21	57.1 Å²	57.1	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110	171.7	-69.4	169.7	0	0	0	108.9	V319 W339 L344 T441 I483	V319-L439 HydrophobicContact CG1-CD1 3.35Å; V319-L439 HydrophobicContact CG1-CG 4.2Å; W339-L439 HydrophobicContact CH2-CD2 4.13Å; W339-L439 HydrophobicContact CZ3-CD2 4.33Å; L344-L439 HydrophobicContact CD2-CD1 4.13Å; L439-T441 VanDerWaalsContact C-N 3.32Å; L439-T441 HydrophobicContact CB-CG2 4.24Å; L439-T441 PolarHBondContact O-N 2.92Å; L439-I483 HydrophobicContact CD2-CB 4.11Å; L439-I483 HydrophobicContact CD2-CD1 4.24Å; L439-I483 HydrophobicContact CD2-CG2 4.19Å
440	N	63.3	Low	63.2	Low	31 Å²	31	59.7 Å²	59.7	17%	0.166	31%	0.31	C	S	.	.			trans	-77.9	85.9	167.8	-99.3	-0.3	0	0	0	108.7	P453 L454 I483 A485	N440-P453 HydrophobicContact CB-CB 4.31Å; N440-P453 HydrophobicContact CB-CG 3.99Å; N440-L454 PolarHBondContact ND2-O 3.47Å; N440-L454 VanDerWaalsContact ND2-O 3.1Å; N440-I483 PolarHBondContact N-O 3.46Å; N440-A485 WeakPolarHBondContact O-CB 3.39Å
441	T	56.8	Low	63	Low	58 Å²	58	62.3 Å²	62.3	36%	0.356	32%	0.324	S	S	.	.			trans	-76.7	144	175.6	56.7	0	0	0	0	111	L439	L439-T441 VanDerWaalsContact C-N 3.32Å; L439-T441 HydrophobicContact CB-CG2 4.24Å; L439-T441 PolarHBondContact O-N 2.92Å
442	F	54.6	Low	62.8	Low	87 Å²	87	64.8 Å²	64.8	38%	0.382	34%	0.341	S	S	.	.			trans	-67.7	138.3	177.2	47.9	-91.9	0	0	0	110.8	L329 V450	L329-F442 HydrophobicContact CD2-CZ 4.38Å; F442-V450 HydrophobicContact CB-CG1 3.96Å; F442-V450 HydrophobicContact CG-CG1 4.33Å
443	K	50.1	Low	62.9	Low	137 Å²	137	66.9 Å²	66.9	60%	0.596	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	110	171.8	-126.2	178.2	-176.7	177.4	0	108	N445	K443-N445 PolarHBondContact O-N 2.95Å; K443-N445 VanDerWaalsContact O-N 3.07Å
444	R	47.3	Very low	62.7	Low	175 Å²	175	70 Å²	70	66%	0.66	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	101.5	172.4	-167.7	173.8	-175.4	166.1	0.9	107.9
445	N	47.9	Very low	62.7	Low	71 Å²	71	71.1 Å²	71.1	38%	0.38	38%	0.379	S	S	.	.			trans	-74.9	155.6	170.2	-77	-22.2	0	0	0	110	K443 S447 D451	K443-N445 PolarHBondContact O-N 2.95Å; K443-N445 VanDerWaalsContact O-N 3.07Å; N445-S447 CarbonylContact C-O 3.13Å; N445-S447 CarbonylContact O-C 3.41Å; N445-S447 PolarHBondContact O-N 2.81Å; N445-S447 VanDerWaalsContact O-N 3.07Å; N445-D451 PolarHBondContact ND2-OD2 3.19Å
446	N	48.7	Very low	62.7	Low	177 Å²	177	71.2 Å²	71.2	95%	0.947	38%	0.379	S	S	*	.	S	Bend	trans	-61	-17.6	-177.6	-73.7	-17.8	0	0	0	114.2
447	S	46.2	Very low	62.8	Low	76 Å²	76	73.7 Å²	73.7	53%	0.531	39%	0.389	S	S	.	.	S	Bend	trans	-88.2	127.2	163.6	50.6	0	0	0	0	108.1	N445 A449	N445-S447 CarbonylContact C-O 3.13Å; N445-S447 CarbonylContact O-C 3.41Å; N445-S447 PolarHBondContact O-N 2.81Å; N445-S447 VanDerWaalsContact O-N 3.07Å; S447-A449 PolarHBondContact O-N 2.79Å
448	H	53	Low	63.1	Low	177 Å²	177	73.6 Å²	73.6	82%	0.819	39%	0.388	S	S	*	.	S	Bend	trans	-50.8	10.8	179	-68.1	-85.5	0	0	0	118
449	A	48.8	Very low	63.6	Low	63 Å²	63	74.9 Å²	74.9	52%	0.521	39%	0.394	S	S	.	.			trans	-79.5	120.8	166.9	0	0	0	0	0	110.4	S447 D451	S447-A449 PolarHBondContact O-N 2.79Å; A449-D451 PolarHBondContact O-N 2.84Å
450	V	54.2	Low	64	Low	90 Å²	90	74.5 Å²	74.5	55%	0.545	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	105.6	171.6	-179.7	0	0	0	0	107.4	F442 C452	F442-V450 HydrophobicContact CB-CG1 3.96Å; F442-V450 HydrophobicContact CG-CG1 4.33Å; V450-C452 PolarHBondContact O-N 2.84Å
451	D	59.8	Low	64.7	Low	105 Å²	105	77 Å²	77	56%	0.561	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	112.6	170.2	-98.3	-25.6	0	0	0	108.7	N445 A449 P453	N445-D451 PolarHBondContact ND2-OD2 3.19Å; A449-D451 PolarHBondContact O-N 2.84Å; D451-P453 WeakPolarHBondContact O-CD 3.34Å
452	C	63.5	Low	65.5	Low	62 Å²	62	75.1 Å²	75.1	42%	0.419	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-78.3	117.1	179.3	-76.7	0	0	0	0	110.4	V450 L454 C488	V450-C452 PolarHBondContact O-N 2.84Å; C452-L454 PolarHBondContact O-N 2.94Å; C452-C488 VanDerWaalsContact CA-SG 3.52Å; C452-C488 HydrophobicContact CB-CB 3.76Å; C452-C488 WeakPolarHBondContact CB-SG 3.07Å; C452-C488 WeakPolarHBondContact SG-CB 3.38Å; C452-C488 CovalentContact SG-SG 2.01Å; C452-C488 PolarHBondContact SG-SG 2.89Å
453	P	70.2	Confident	65.9	Low	47 Å²	47	82.1 Å²	82.1	31%	0.305	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.3	139	175.1	25.6	-31.8	0	0	0	109.5	N440 D451	N440-P453 HydrophobicContact CB-CB 4.31Å; N440-P453 HydrophobicContact CB-CG 3.99Å; D451-P453 WeakPolarHBondContact O-CD 3.34Å
454	L	75.8	Confident	66.5	Low	70 Å²	70	81.2 Å²	81.2	37%	0.366	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-58.7	142	174.5	-73.8	167.6	0	0	0	109.7	L388 G392 T395 N440 C452 L456	L388-L454 HydrophobicContact CD1-CD1 3.46Å; L388-L454 VanDerWaalsContact CD1-CD1 3.46Å; G392-L454 WeakPolarHBondContact O-CD2 3.45Å; T395-L454 HydrophobicContact CG2-CB 4.06Å; T395-L454 HydrophobicContact CG2-CD1 4.07Å; N440-L454 PolarHBondContact ND2-O 3.47Å; N440-L454 VanDerWaalsContact ND2-O 3.1Å; C452-L454 PolarHBondContact O-N 2.94Å; L454-L456 PolarHBondContact O-N 3.44Å
455	P	79.7	Confident	67.9	Low	37 Å²	37	75.9 Å²	75.9	24%	0.24	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-61.5	134.1	177.3	23.5	-31	0	0	0	109.6	N393 Y394 T395 D484	N393-P455 WeakPolarHBondContact O-CD 3.47Å; N393-P455 WeakPolarHBondContact O-CG 3.36Å; Y394-P455 WeakPolarHBondContact CA-O 3.42Å; Y394-P455 VanDerWaalsContact CB-O 3.29Å; Y394-P455 WeakPolarHBondContact CB-O 3.35Å; T395-P455 PolarHBondContact N-O 2.94Å; P455-D484 VanDerWaalsContact CA-OD1 3.32Å; P455-D484 WeakPolarHBondContact CA-OD1 2.89Å; P455-D484 WeakPolarHBondContact CB-OD1 3.48Å
456	L	83.6	Confident	69.2	Low	3 Å²	3	76.4 Å²	76.4	2%	0.016	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.3	177.8	176.6	74.4	0	0	0	109.2	T395 Y397 L438 L454 S482	T395-L456 CarbonylContact O-C 3.37Å; T395-L456 WeakPolarHBondContact O-CA 3.16Å; T395-L456 WeakPolarHBondContact OG1-CD1 3.46Å; Y397-L456 HydrophobicContact CD2-CD1 3.79Å; Y397-L456 HydrophobicContact CD2-CD2 4.07Å; Y397-L456 HydrophobicContact CD2-CG 4.33Å; Y397-L456 HydrophobicContact CE2-CD1 3.77Å; Y397-L456 HydrophobicContact CE2-CD2 3.74Å; Y397-L456 HydrophobicContact CE2-CG 4.32Å; L438-L456 HydrophobicContact CD1-CD2 3.62Å; L454-L456 PolarHBondContact O-N 3.44Å; L456-S482 WeakPolarHBondContact CB-OG 3.05Å; L456-S482 PolarHBondContact O-OG 2.93Å
457	R	86.6	Confident	70.6	Confident	52 Å²	52	68.1 Å²	68.1	20%	0.196	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.5	-178.7	-60.8	-64.7	179.1	-106	3.1	111.4	Y394 T395 F396 Y397 I468 T469 D484	Y394-R457 HydrophobicContact CD2-CB 4.04Å; Y394-R457 HydrophobicContact CD2-CG 3.98Å; Y394-R457 HydrophobicContact CE2-CB 4.46Å; Y394-R457 HydrophobicContact CG-CG 4.26Å; T395-R457 PolarHBondContact O-N 2.87Å; F396-R457 CarbonylContact C-O 3.59Å; F396-R457 WeakPolarHBondContact CA-O 3.17Å; Y397-R457 PolarHBondContact N-O 2.84Å; R457-I468 HydrophobicContact CB-CG2 3.81Å; R457-I468 HydrophobicContact CG-CG2 4.03Å; R457-T469 CarbonylContact C-O 3.6Å; R457-T469 WeakPolarHBondContact CA-O 3.08Å; R457-D484 IonicContact CZ-OD1 2.81Å; R457-D484 IonicContact CZ-OD2 3.76Å; R457-D484 VanDerWaalsContact CZ-OD2 3.23Å; R457-D484 IonicContact NH1-OD1 2.73Å; R457-D484 PolarHBondContact NH1-OD1 3.32Å; R457-D484 IonicContact NH1-OD2 2.83Å; R457-D484 PolarHBondContact NH1-OD2 3.42Å; R457-D484 IonicContact NH2-OD1 3.27Å; R457-D484 IonicContact NH2-OD2 3.84Å; R457-D484 PolarHBondContact NH2-OD2 3.48Å
458	F	86.8	Confident	72.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.4	175.7	-56.9	-73	0	0	0	109.2	Y397 I402 L438 I460 I468 T469 D470 Y471 A472 L480	Y397-F458 HydrophobicContact CD2-CD1 4.41Å; Y397-F458 AromaticContact CD2-CE1 3.95Å; Y397-F458 HydrophobicContact CD2-CE1 3.95Å; I402-F458 HydrophobicContact CD1-CB 4.24Å; I402-F458 HydrophobicContact CD1-CD1 3.77Å; I402-F458 HydrophobicContact CD1-CG 4.36Å; I402-F458 HydrophobicContact CG1-CD1 3.93Å; I402-F458 HydrophobicContact CG1-CE1 4.42Å; L438-F458 HydrophobicContact CD1-CZ 4.1Å; F458-I460 HydrophobicContact CB-CG1 4.36Å; F458-I468 WeakPolarHBondContact O-CA 3.14Å; F458-T469 PolarHBondContact N-O 3.48Å; F458-T469 PolarHBondContact O-N 3.3Å; F458-D470 WeakPolarHBondContact CE2-O 3.44Å; F458-Y471 VanDerWaalsContact CD2-C 3.42Å; F458-A472 HydrophobicContact CB-CB 3.9Å; F458-A472 HydrophobicContact CD1-CB 3.96Å; F458-A472 HydrophobicContact CD2-CB 3.99Å; F458-A472 HydrophobicContact CG-CB 3.67Å; F458-L480 HydrophobicContact CE1-CB 4.22Å; F458-L480 HydrophobicContact CE1-CD2 3.74Å; F458-L480 HydrophobicContact CE2-CB 4.4Å; F458-L480 HydrophobicContact CZ-CB 3.82Å; F458-L480 HydrophobicContact CZ-CD2 3.78Å; F458-L480 HydrophobicContact CZ-CG 4.4Å
459	H	87.7	Confident	73.4	Confident	34 Å²	34	60.4 Å²	60.4	16%	0.157	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.3	175.1	-81.7	-163.5	0	0	0	108.7	Y394 F396 Y397 V466	Y394-H459 AromaticContact CE2-NE2 3.47Å; Y394-H459 WeakPolarHBondContact CE2-NE2 3.5Å; Y394-H459 AromaticContact CZ-NE2 3.97Å; F396-H459 AromaticContact CD1-CE1 3.62Å; F396-H459 AromaticContact CD1-NE2 3.91Å; F396-H459 HydrophobicContact CD2-CB 4.05Å; F396-H459 AromaticContact CD2-CD2 3.89Å; F396-H459 AromaticContact CD2-CE1 3.46Å; F396-H459 VanDerWaalsContact CD2-CE1 3.46Å; F396-H459 WeakPolarHBondContact CD2-CE1 3.3Å; F396-H459 AromaticContact CD2-CG 3.47Å; F396-H459 VanDerWaalsContact CD2-CG 3.47Å; F396-H459 AromaticContact CD2-ND1 3.19Å; F396-H459 WeakPolarHBondContact CD2-ND1 3.47Å; F396-H459 AromaticContact CD2-NE2 3.9Å; F396-H459 AromaticContact CE1-CE1 3.88Å; F396-H459 AromaticContact CE2-CE1 3.74Å; F396-H459 AromaticContact CE2-ND1 3.38Å; F396-H459 WeakPolarHBondContact CE2-ND1 3.26Å; F396-H459 AromaticContact CG-CD2 3.81Å; F396-H459 AromaticContact CG-CE1 3.41Å; F396-H459 VanDerWaalsContact CG-CE1 3.41Å; F396-H459 WeakPolarHBondContact CG-CE1 3.36Å; F396-H459 AromaticContact CG-CG 3.88Å; F396-H459 AromaticContact CG-ND1 3.65Å; F396-H459 AromaticContact CG-NE2 3.52Å; F396-H459 AromaticContact CZ-CE1 3.93Å; F396-H459 AromaticContact CZ-ND1 3.97Å; Y397-H459 PolarHBondContact O-N 3.33Å; H459-V466 HydrophobicContact CB-CG1 3.58Å
460	I	80.2	Confident	74.8	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120	-177.7	-53.3	173.1	0	0	0	108.3	I302 F458 S462 V467 T469 A472	I302-I460 HydrophobicContact CD1-CB 4.12Å; I302-I460 HydrophobicContact CD1-CD1 3.39Å; I302-I460 HydrophobicContact CD1-CG1 4.33Å; I302-I460 HydrophobicContact CD1-CG2 4.02Å; I302-I460 HydrophobicContact CG1-CB 4.43Å; I302-I460 HydrophobicContact CG1-CD1 4.2Å; I302-I460 HydrophobicContact CG1-CG2 3.8Å; I302-I460 HydrophobicContact CG2-CD1 4.1Å; I302-I460 HydrophobicContact CG2-CG2 4.21Å; F458-I460 HydrophobicContact CB-CG1 4.36Å; I460-S462 PolarHBondContact O-N 2.97Å; I460-V467 HydrophobicContact CB-CB 4.4Å; I460-V467 PolarHBondContact N-O 3.13Å; I460-V467 PolarHBondContact O-N 2.64Å; I460-T469 WeakPolarHBondContact CD1-OG1 3.36Å; I460-A472 HydrophobicContact CD1-CB 4.24Å
461	P	77.8	Confident	75.9	Confident	83 Å²	83	55.3 Å²	55.3	54%	0.539	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	119.1	-179.7	25.9	-29.7	0	0	0	109.9	Q399	Q399-P461 HydrophobicContact CB-CG 4.36Å
462	S	72.4	Confident	76.8	Confident	19 Å²	19	50.4 Å²	50.4	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	92.4	176	-167.4	0	0	0	0	109.8	I460 S465	I460-S462 PolarHBondContact O-N 2.97Å; S462-S465 CarbonylContact C-O 3.56Å; S462-S465 WeakPolarHBondContact CA-O 3.1Å; S462-S465 PolarHBondContact N-O 2.95Å; S462-S465 CarbonylContact O-C 3.56Å; S462-S465 PolarHBondContact O-N 3.23Å; S462-S465 PolarHBondContact O-OG 2.93Å
463	Y	63.1	Low	77.4	Confident	234 Å²	234	49.4 Å²	49.4	92%	0.918	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	125.4	-171.9	-171.8	-93.3	0	0	0	112.6
464	P	64.5	Low	77.5	Confident	118 Å²	118	48 Å²	48	77%	0.766	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.2	2.6	8.2	37.6	-35.1	0	0	0	115.6
465	S	74.8	Confident	77.1	Confident	64 Å²	64	49.8 Å²	49.8	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	166.6	-172.4	48.9	0	0	0	0	113.4	S462	S462-S465 CarbonylContact C-O 3.56Å; S462-S465 WeakPolarHBondContact CA-O 3.1Å; S462-S465 PolarHBondContact N-O 2.95Å; S462-S465 CarbonylContact O-C 3.56Å; S462-S465 PolarHBondContact O-N 3.23Å; S462-S465 PolarHBondContact O-OG 2.93Å
466	V	76.5	Confident	76.4	Confident	82 Å²	82	54 Å²	54	50%	0.497	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125	168	177.8	0	0	0	0	107.7	H459	H459-V466 HydrophobicContact CB-CG1 3.58Å
467	V	78	Confident	75.6	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.1	174.7	163.4	0	0	0	0	107.9	E298 I302 I460 T469	E298-V467 HydrophobicContact CB-CB 4.41Å; E298-V467 HydrophobicContact CB-CG1 3.64Å; E298-V467 HydrophobicContact CB-CG2 3.91Å; E298-V467 HydrophobicContact CG-CG1 4.26Å; E298-V467 HydrophobicContact CG-CG2 3.95Å; E298-V467 WeakPolarHBondContact OE2-CG1 3.19Å; I302-V467 HydrophobicContact CD1-CG1 3.88Å; I460-V467 HydrophobicContact CB-CB 4.4Å; I460-V467 PolarHBondContact N-O 3.13Å; I460-V467 PolarHBondContact O-N 2.64Å; V467-T469 HydrophobicContact CG1-CG2 3.44Å; V467-T469 VanDerWaalsContact CG1-CG2 3.44Å
468	I	79.8	Confident	74.9	Confident	80 Å²	80	52.5 Å²	52.5	41%	0.41	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.2	178.5	-56.5	167.8	0	0	0	108.2	Y394 R457 F458	Y394-I468 HydrophobicContact CE2-CG2 4.43Å; Y394-I468 WeakPolarHBondContact OH-CD1 3.23Å; R457-I468 HydrophobicContact CB-CG2 3.81Å; R457-I468 HydrophobicContact CG-CG2 4.03Å; F458-I468 WeakPolarHBondContact O-CA 3.14Å
469	T	78.2	Confident	74.5	Confident	12 Å²	12	52.6 Å²	52.6	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.8	-175.5	51.4	0	0	0	0	112	R457 F458 I460 V467 Y471	R457-T469 CarbonylContact C-O 3.6Å; R457-T469 WeakPolarHBondContact CA-O 3.08Å; F458-T469 PolarHBondContact N-O 3.48Å; F458-T469 PolarHBondContact O-N 3.3Å; I460-T469 WeakPolarHBondContact CD1-OG1 3.36Å; V467-T469 HydrophobicContact CG1-CG2 3.44Å; V467-T469 VanDerWaalsContact CG1-CG2 3.44Å; T469-Y471 WeakPolarHBondContact CB-O 3.44Å; T469-Y471 HydrophobicContact CG2-CD1 4.43Å; T469-Y471 HydrophobicContact CG2-CE1 3.63Å; T469-Y471 PolarHBondContact OG1-O 2.88Å
470	D	77.1	Confident	74.3	Confident	38 Å²	38	51 Å²	51	20%	0.203	28%	0.281	C	S	.	.	S	Bend	trans	-94.1	2.6	171.2	58.7	-18.9	0	0	0	112.7	F458 S482 K501	F458-D470 WeakPolarHBondContact CE2-O 3.44Å; D470-S482 PolarHBondContact O-N 3.32Å; D470-K501 WeakPolarHBondContact OD2-CE 3.03Å; D470-K501 IonicContact OD2-NZ 2.9Å; D470-K501 PolarHBondContact OD2-NZ 3.14Å
471	Y	78.8	Confident	74.4	Confident	8 Å²	8	50.6 Å²	50.6	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153	171	76.7	-76.4	0	0	0	110.1	I299 I302 F458 T469 L473 L480 V505	I299-Y471 WeakPolarHBondContact CA-OH 3.49Å; I299-Y471 HydrophobicContact CB-CE1 4.38Å; I299-Y471 HydrophobicContact CB-CE2 4.48Å; I299-Y471 VanDerWaalsContact CB-OH 3.22Å; I299-Y471 WeakPolarHBondContact CB-OH 3.39Å; I299-Y471 HydrophobicContact CD1-CD1 4.08Å; I299-Y471 HydrophobicContact CD1-CE1 3.28Å; I299-Y471 HydrophobicContact CG1-CE1 3.56Å; I299-Y471 VanDerWaalsContact CG1-CZ 3.47Å; I299-Y471 WeakPolarHBondContact CG1-OH 3.29Å; I299-Y471 HydrophobicContact CG2-CE1 4.31Å; I299-Y471 HydrophobicContact CG2-CE2 3.74Å; I299-Y471 WeakPolarHBondContact CG2-OH 3.27Å; I302-Y471 WeakPolarHBondContact CD1-OH 3.44Å; F458-Y471 VanDerWaalsContact CD2-C 3.42Å; T469-Y471 WeakPolarHBondContact CB-O 3.44Å; T469-Y471 HydrophobicContact CG2-CD1 4.43Å; T469-Y471 HydrophobicContact CG2-CE1 3.63Å; T469-Y471 PolarHBondContact OG1-O 2.88Å; Y471-L473 HydrophobicContact CD2-CD1 4.27Å; Y471-L473 HydrophobicContact CE2-CD1 3.88Å; Y471-L480 CarbonylContact C-O 3.26Å; Y471-L480 WeakPolarHBondContact CA-O 3.26Å; Y471-V505 HydrophobicContact CG-CG2 4.1Å
472	A	79.1	Confident	74.5	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.8	170.9	0	0	0	0	0	109.4	I402 F458 I460 G479 L480	I402-A472 HydrophobicContact CD1-CB 3.76Å; F458-A472 HydrophobicContact CB-CB 3.9Å; F458-A472 HydrophobicContact CD1-CB 3.96Å; F458-A472 HydrophobicContact CD2-CB 3.99Å; F458-A472 HydrophobicContact CG-CB 3.67Å; I460-A472 HydrophobicContact CD1-CB 4.24Å; A472-G479 CarbonylContact O-C 3.43Å; A472-G479 WeakPolarHBondContact O-CA 3.26Å; A472-L480 PolarHBondContact N-O 2.92Å; A472-L480 PolarHBondContact O-N 2.95Å
473	L	74.5	Confident	74.5	Confident	41 Å²	41	46.1 Å²	46.1	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.6	169.4	-87.3	101.4	0	0	0	110.3	I302 I303 Y471 G478 I509	I302-L473 HydrophobicContact CG2-CB 4.32Å; I302-L473 HydrophobicContact CG2-CD1 3.99Å; I303-L473 HydrophobicContact CD1-CD1 3.79Å; I303-L473 HydrophobicContact CD1-CD2 4.28Å; I303-L473 HydrophobicContact CG1-CD1 3.32Å; I303-L473 HydrophobicContact CG1-CD2 3.76Å; I303-L473 HydrophobicContact CG1-CG 4.14Å; I303-L473 HydrophobicContact CG2-CD2 4.47Å; Y471-L473 HydrophobicContact CD2-CD1 4.27Å; Y471-L473 HydrophobicContact CE2-CD1 3.88Å; L473-G478 WeakPolarHBondContact CA-O 3.43Å; L473-I509 HydrophobicContact CD2-CD1 4.33Å; L473-I509 HydrophobicContact CD2-CG1 3.93Å; L473-I509 HydrophobicContact CD2-CG2 4.26Å; L473-I509 HydrophobicContact CG-CD1 4.46Å; L473-I509 HydrophobicContact CG-CG1 4.31Å
474	V	73.8	Confident	74.8	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.8	172	-173.3	0	0	0	0	108.9	I402 I406 Q476 W477 G478	I402-V474 HydrophobicContact CG2-CG2 3.63Å; I406-V474 HydrophobicContact CD1-CB 3.4Å; I406-V474 VanDerWaalsContact CD1-CB 3.4Å; I406-V474 HydrophobicContact CD1-CG1 3.18Å; I406-V474 HydrophobicContact CD1-CG2 3.23Å; V474-Q476 PolarHBondContact O-N 3.23Å; V474-W477 HydrophobicContact CB-CB 4.29Å; V474-W477 HydrophobicContact CG1-CB 4.39Å; V474-W477 PolarHBondContact O-N 3.46Å; V474-G478 PolarHBondContact N-O 2.82Å; V474-G478 VanDerWaalsContact N-O 3.12Å; V474-G478 PolarHBondContact O-N 3.41Å
475	P	65.8	Low	74.4	Confident	108 Å²	108	33 Å²	33	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	140	172.4	-25.4	33.8	0	0	0	111.2	W477	P475-W477 PolarHBondContact O-N 2.96Å
476	Q	64.6	Low	73.3	Confident	126 Å²	126	31.1 Å²	31.1	59%	0.589	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	-17.5	-178.7	-54	174.9	-11.6	0	0	116.8	P416 T418 V474	P416-Q476 HydrophobicContact CB-CB 4.34Å; P416-Q476 WeakPolarHBondContact CB-O 3.26Å; P416-Q476 HydrophobicContact CG-CB 4.12Å; T418-Q476 WeakPolarHBondContact CB-O 3.37Å; T418-Q476 VanDerWaalsContact CG2-O 3.26Å; T418-Q476 WeakPolarHBondContact CG2-O 3.42Å; T418-Q476 WeakPolarHBondContact OG1-CA 3.22Å; T418-Q476 PolarHBondContact OG1-O 2.82Å; V474-Q476 PolarHBondContact O-N 3.23Å
477	W	67.6	Low	72.1	Confident	11 Å²	11	29.4 Å²	29.4	4%	0.042	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-35.6	178.5	-75.9	85.8	0	0	0	112	I406 E410 L413 G414 P416 H434 V474 P475	I406-W477 HydrophobicContact CD1-CB 4.48Å; I406-W477 HydrophobicContact CG2-CD2 4.23Å; I406-W477 HydrophobicContact CG2-CG 4.01Å; E410-W477 HydrophobicContact CB-CH2 4.17Å; E410-W477 HydrophobicContact CB-CZ2 3.62Å; E410-W477 HydrophobicContact CG-CH2 4.39Å; E410-W477 HydrophobicContact CG-CZ2 3.75Å; L413-W477 HydrophobicContact CB-CH2 3.63Å; L413-W477 HydrophobicContact CB-CZ3 3.64Å; L413-W477 HydrophobicContact CD1-CE3 4.28Å; L413-W477 HydrophobicContact CD1-CH2 4.14Å; L413-W477 HydrophobicContact CD1-CZ3 3.53Å; L413-W477 HydrophobicContact CG-CZ3 4.21Å; G414-W477 WeakPolarHBondContact O-CH2 3.35Å; P416-W477 HydrophobicContact CB-CD2 4Å; P416-W477 HydrophobicContact CB-CE3 4.48Å; P416-W477 HydrophobicContact CB-CG 4.32Å; P416-W477 HydrophobicContact CB-CZ2 4.13Å; P416-W477 HydrophobicContact CG-CZ2 4.2Å; H434-W477 CarbonylContact C-O 3.43Å; H434-W477 WeakPolarHBondContact CA-O 3.43Å; H434-W477 HydrophobicContact CB-CE3 4.28Å; H434-W477 WeakPolarHBondContact CB-O 3.13Å; H434-W477 PolarHBondContact N-O 3.43Å; V474-W477 HydrophobicContact CB-CB 4.29Å; V474-W477 HydrophobicContact CG1-CB 4.39Å; V474-W477 PolarHBondContact O-N 3.46Å; P475-W477 PolarHBondContact O-N 2.96Å
478	G	72.1	Confident	70.8	Confident	11 Å²	11	31.6 Å²	31.6	11%	0.113	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.6	-86.8	-177	0	0	0	0	0	110.5	L473 V474	L473-G478 WeakPolarHBondContact CA-O 3.43Å; V474-G478 PolarHBondContact N-O 2.82Å; V474-G478 VanDerWaalsContact N-O 3.12Å; V474-G478 PolarHBondContact O-N 3.41Å
479	G	79	Confident	69	Low	3 Å²	3	36.6 Å²	36.6	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	155.1	176.5	0	0	0	0	0	115.9	H434 L435 I436 A472	H434-G479 PolarHBondContact O-N 3.23Å; L435-G479 WeakPolarHBondContact CA-O 3.36Å; I436-G479 PolarHBondContact N-O 2.85Å; A472-G479 CarbonylContact O-C 3.43Å; A472-G479 WeakPolarHBondContact O-CA 3.26Å
480	L	83.2	Confident	67.2	Low	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.3	164.5	-111	86.7	0	0	0	109.3	L405 I406 I436 L438 F458 Y471 A472	L405-L480 HydrophobicContact CD2-CD2 3.63Å; I406-L480 HydrophobicContact CD1-CD1 3.85Å; I406-L480 HydrophobicContact CG1-CD1 3.99Å; I436-L480 HydrophobicContact CB-CD1 4.07Å; I436-L480 HydrophobicContact CB-CG 4.15Å; I436-L480 HydrophobicContact CD1-CD1 3.81Å; I436-L480 HydrophobicContact CG2-CD1 4.39Å; I436-L480 HydrophobicContact CG2-CG 4.29Å; L438-L480 HydrophobicContact CD1-CD2 3.56Å; L438-L480 HydrophobicContact CD1-CG 4.42Å; L438-L480 HydrophobicContact CG-CD2 4.35Å; F458-L480 HydrophobicContact CE1-CB 4.22Å; F458-L480 HydrophobicContact CE1-CD2 3.74Å; F458-L480 HydrophobicContact CE2-CB 4.4Å; F458-L480 HydrophobicContact CZ-CB 3.82Å; F458-L480 HydrophobicContact CZ-CD2 3.78Å; F458-L480 HydrophobicContact CZ-CG 4.4Å; Y471-L480 CarbonylContact C-O 3.26Å; Y471-L480 WeakPolarHBondContact CA-O 3.26Å; A472-L480 PolarHBondContact N-O 2.92Å; A472-L480 PolarHBondContact O-N 2.95Å
481	I	81.9	Confident	65.4	Low	3 Å²	3	48.9 Å²	48.9	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.4	174.4	-57.3	173.7	0	0	0	107.5	L435 I436 L437 L438 I483 I502 V505	L435-I481 HydrophobicContact CD1-CD1 4.3Å; L435-I481 HydrophobicContact CD2-CD1 4.2Å; I436-I481 PolarHBondContact O-N 3.39Å; L437-I481 WeakPolarHBondContact CA-O 3.49Å; L437-I481 HydrophobicContact CD2-CB 3.9Å; L437-I481 HydrophobicContact CD2-CD1 4.23Å; L437-I481 HydrophobicContact CD2-CG2 4.03Å; L438-I481 PolarHBondContact N-O 3.07Å; I481-I483 HydrophobicContact CG2-CG1 4.2Å; I481-I502 HydrophobicContact CD1-CG1 4.47Å; I481-V505 HydrophobicContact CD1-CB 4.02Å; I481-V505 HydrophobicContact CD1-CG1 3.92Å; I481-V505 HydrophobicContact CD1-CG2 3.99Å; I481-V505 HydrophobicContact CG1-CG1 4.33Å; I481-V505 HydrophobicContact CG1-CG2 4.28Å
482	S	80.3	Confident	63.4	Low	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.7	169.3	-176.7	0	0	0	0	109.8	L456 D470	L456-S482 WeakPolarHBondContact CB-OG 3.05Å; L456-S482 PolarHBondContact O-OG 2.93Å; D470-S482 PolarHBondContact O-N 3.32Å
483	I	72.6	Confident	61.9	Low	8 Å²	8	55.3 Å²	55.3	4%	0.041	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116	172.8	-63.3	168.8	0	0	0	107.3	L437 L438 L439 N440 I481 I498	L437-I483 HydrophobicContact CD2-CD1 3.51Å; L437-I483 HydrophobicContact CD2-CG1 4.29Å; L437-I483 HydrophobicContact CG-CD1 4.49Å; L438-I483 PolarHBondContact O-N 3.02Å; L439-I483 HydrophobicContact CD2-CB 4.11Å; L439-I483 HydrophobicContact CD2-CD1 4.24Å; L439-I483 HydrophobicContact CD2-CG2 4.19Å; N440-I483 PolarHBondContact N-O 3.46Å; I481-I483 HydrophobicContact CG2-CG1 4.2Å; I483-I498 HydrophobicContact CD1-CG2 3.52Å; I483-I498 HydrophobicContact CG1-CG2 4.37Å; I483-I498 HydrophobicContact CG2-CD1 3.82Å; I483-I498 HydrophobicContact CG2-CG1 3.98Å
484	D	69.3	Low	61.1	Low	44 Å²	44	54.7 Å²	54.7	24%	0.235	30%	0.302	C	S	.	.			trans	-68.5	142.8	170.4	-53.8	-39.2	0	0	0	109.6	P455 R457 S486	P455-D484 VanDerWaalsContact CA-OD1 3.32Å; P455-D484 WeakPolarHBondContact CA-OD1 2.89Å; P455-D484 WeakPolarHBondContact CB-OD1 3.48Å; R457-D484 IonicContact CZ-OD1 2.81Å; R457-D484 IonicContact CZ-OD2 3.76Å; R457-D484 VanDerWaalsContact CZ-OD2 3.23Å; R457-D484 IonicContact NH1-OD1 2.73Å; R457-D484 PolarHBondContact NH1-OD1 3.32Å; R457-D484 IonicContact NH1-OD2 2.83Å; R457-D484 PolarHBondContact NH1-OD2 3.42Å; R457-D484 IonicContact NH2-OD1 3.27Å; R457-D484 IonicContact NH2-OD2 3.84Å; R457-D484 PolarHBondContact NH2-OD2 3.48Å; D484-S486 PolarHBondContact O-N 3.34Å
485	A	56.5	Low	60.5	Low	31 Å²	31	55.3 Å²	55.3	26%	0.256	31%	0.306	S	S	.	.			trans	-59.3	115.7	168.4	0	0	0	0	0	109.4	N440 D487	N440-A485 WeakPolarHBondContact O-CB 3.39Å; A485-D487 PolarHBondContact O-N 3.03Å
486	S	51.6	Low	60.6	Low	26 Å²	26	56.2 Å²	56.2	18%	0.182	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.9	-178.5	42.2	0	0	0	0	114.1	D484	D484-S486 PolarHBondContact O-N 3.34Å
487	D	50.3	Low	60.8	Low	46 Å²	46	54.3 Å²	54.3	25%	0.246	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	5.2	-161.6	-68.3	-66.6	0	0	0	116.3	I336 A485 M489	I336-D487 WeakPolarHBondContact CD1-OD1 3.31Å; I336-D487 HydrophobicContact CG2-CB 4.48Å; I336-D487 VanDerWaalsContact CG2-CG 3.44Å; I336-D487 WeakPolarHBondContact CG2-OD2 3.27Å; A485-D487 PolarHBondContact O-N 3.03Å; D487-M489 VanDerWaalsContact C-N 3.29Å; D487-M489 PolarHBondContact O-N 3.26Å
488	C	50.7	Low	61.1	Low	48 Å²	48	54.2 Å²	54.2	32%	0.324	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.4	178.2	-83.5	0	0	0	0	113.9	C452	C452-C488 VanDerWaalsContact CA-SG 3.52Å; C452-C488 HydrophobicContact CB-CB 3.76Å; C452-C488 WeakPolarHBondContact CB-SG 3.07Å; C452-C488 WeakPolarHBondContact SG-CB 3.38Å; C452-C488 CovalentContact SG-SG 2.01Å; C452-C488 PolarHBondContact SG-SG 2.89Å
489	M	41.7	Very low	61.4	Low	184 Å²	184	53.9 Å²	53.9	91%	0.906	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	-18	-177.8	-69.1	-92.3	-96	0	0	115.1	D487	D487-M489 VanDerWaalsContact C-N 3.29Å; D487-M489 PolarHBondContact O-N 3.26Å
490	T	40.5	Very low	61.2	Low	91 Å²	91	55.1 Å²	55.1	56%	0.558	29%	0.293	S	S	*	.			trans	-142	104.6	-173.8	51.6	0	0	0	0	112.6	T492	T490-T492 PolarHBondContact O-N 2.86Å
491	R	39.4	Very low	60.8	Low	217 Å²	217	58.2 Å²	58.2	82%	0.819	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	13.5	-175.3	-88.5	-176.2	169.7	178.6	-3.4	117.4
492	T	36.6	Very low	60.7	Low	126 Å²	126	58.1 Å²	58.1	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	12.9	-167.9	51.7	0	0	0	0	116.7	T490 S494	T490-T492 PolarHBondContact O-N 2.86Å; T492-S494 PolarHBondContact O-N 3.37Å
493	G	47.6	Very low	60.8	Low	20 Å²	20	58.1 Å²	58.1	21%	0.206	31%	0.306	C	S	.	.			trans	-91.3	13.9	-177.1	0	0	0	0	0	117.1	T495 I497	G493-T495 PolarHBondContact O-N 3.39Å; G493-I497 WeakPolarHBondContact O-CD1 3.33Å
494	S	57.5	Low	61	Low	28 Å²	28	63.2 Å²	63.2	20%	0.196	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.9	-131.1	46	0	0	0	0	119.8	W339 T492	W339-S494 VanDerWaalsContact CE2-O 3.24Å; W339-S494 PolarHBondContact NE1-O 2.83Å; T492-S494 PolarHBondContact O-N 3.37Å
495	T	62.5	Low	61.4	Low	30 Å²	30	61.7 Å²	61.7	18%	0.184	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.9	-43.8	-175	51.2	0	0	0	0	114.1	W339 G493 I497 I498 A499	W339-T495 HydrophobicContact CB-CG2 3.23Å; W339-T495 VanDerWaalsContact CD1-CG2 3.49Å; W339-T495 HydrophobicContact CD2-CG2 4.14Å; W339-T495 HydrophobicContact CG-CG2 3.31Å; G493-T495 PolarHBondContact O-N 3.39Å; T495-I497 VanDerWaalsContact C-N 3.29Å; T495-I497 PolarHBondContact O-N 2.85Å; T495-I498 PolarHBondContact O-N 2.88Å; T495-I498 VanDerWaalsContact O-N 3.14Å; T495-A499 PolarHBondContact O-N 3.26Å
496	K	66.4	Low	62.6	Low	127 Å²	127	60.2 Å²	60.2	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-59.1	-41.2	-177.8	-69.5	-175.9	178	-179.3	0	112	I498 A499 Q500	K496-I498 VanDerWaalsContact C-N 3.31Å; K496-I498 PolarHBondContact O-N 2.71Å; K496-A499 PolarHBondContact O-N 2.8Å; K496-Q500 VanDerWaalsContact O-CB 3.3Å; K496-Q500 WeakPolarHBondContact O-CB 3.35Å; K496-Q500 WeakPolarHBondContact O-CG 3.47Å; K496-Q500 PolarHBondContact O-N 3.1Å
497	I	70.2	Confident	64	Low	85 Å²	85	59.8 Å²	59.8	44%	0.436	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-41.1	178.9	-60.3	178	0	0	0	110.6	G493 T495 K501	G493-I497 WeakPolarHBondContact O-CD1 3.33Å; T495-I497 VanDerWaalsContact C-N 3.29Å; T495-I497 PolarHBondContact O-N 2.85Å; I497-K501 WeakPolarHBondContact O-CB 3.07Å; I497-K501 VanDerWaalsContact O-CG 3.31Å; I497-K501 WeakPolarHBondContact O-CG 3.27Å; I497-K501 PolarHBondContact O-N 3.09Å
498	I	73.3	Confident	65.2	Low	10 Å²	10	58 Å²	58	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-47.7	178.8	-62.8	171	0	0	0	110.3	W339 W350 I483 T495 K496 Q500 K501 I502	W339-I498 HydrophobicContact CD2-CD1 4.46Å; W339-I498 HydrophobicContact CE3-CD1 4.21Å; W339-I498 HydrophobicContact CH2-CD1 3.22Å; W339-I498 HydrophobicContact CZ2-CD1 3.49Å; W339-I498 VanDerWaalsContact CZ2-CD1 3.49Å; W339-I498 HydrophobicContact CZ3-CD1 3.62Å; W350-I498 HydrophobicContact CH2-CB 4.38Å; W350-I498 HydrophobicContact CH2-CG2 3.97Å; I483-I498 HydrophobicContact CD1-CG2 3.52Å; I483-I498 HydrophobicContact CG1-CG2 4.37Å; I483-I498 HydrophobicContact CG2-CD1 3.82Å; I483-I498 HydrophobicContact CG2-CG1 3.98Å; T495-I498 PolarHBondContact O-N 2.88Å; T495-I498 VanDerWaalsContact O-N 3.14Å; K496-I498 VanDerWaalsContact C-N 3.31Å; K496-I498 PolarHBondContact O-N 2.71Å; I498-Q500 VanDerWaalsContact C-N 3.34Å; I498-Q500 PolarHBondContact O-N 3.36Å; I498-K501 PolarHBondContact O-N 3.35Å; I498-I502 HydrophobicContact CG2-CD1 3.99Å; I498-I502 WeakPolarHBondContact O-CG1 3.44Å; I498-I502 PolarHBondContact O-N 3.23Å
499	A	77.5	Confident	66.4	Low	4 Å²	4	56 Å²	56	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-47.7	177	0	0	0	0	0	111.1	W350 H354 V355 T495 K496 K501 I502 I503	W350-A499 HydrophobicContact CH2-CB 3.95Å; W350-A499 HydrophobicContact CZ2-CB 4.3Å; H354-A499 HydrophobicContact CB-CB 3.8Å; V355-A499 HydrophobicContact CG2-CB 4.19Å; T495-A499 PolarHBondContact O-N 3.26Å; K496-A499 PolarHBondContact O-N 2.8Å; A499-K501 PolarHBondContact O-N 3.25Å; A499-I502 PolarHBondContact O-N 3.45Å; A499-I503 WeakPolarHBondContact O-CB 3.49Å; A499-I503 WeakPolarHBondContact O-CD1 3.27Å; A499-I503 WeakPolarHBondContact O-CG1 3.42Å; A499-I503 PolarHBondContact O-N 3.47Å
500	Q	76.1	Confident	68.3	Low	28 Å²	28	47.3 Å²	47.3	13%	0.131	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-48.7	175	-74.9	168.5	1.4	0	0	111.2	K496 I498 I502 I503 Y504 D537	K496-Q500 VanDerWaalsContact O-CB 3.3Å; K496-Q500 WeakPolarHBondContact O-CB 3.35Å; K496-Q500 WeakPolarHBondContact O-CG 3.47Å; K496-Q500 PolarHBondContact O-N 3.1Å; I498-Q500 VanDerWaalsContact C-N 3.34Å; I498-Q500 PolarHBondContact O-N 3.36Å; Q500-I502 PolarHBondContact O-N 3.16Å; Q500-I503 PolarHBondContact O-N 3.3Å; Q500-Y504 HydrophobicContact CB-CD2 4.35Å; Q500-Y504 HydrophobicContact CB-CE2 4.22Å; Q500-Y504 WeakPolarHBondContact O-CB 3.43Å; Q500-Y504 WeakPolarHBondContact O-CD2 3.14Å; Q500-Y504 PolarHBondContact O-N 3.11Å; Q500-D537 VanDerWaalsContact NE2-CG 3.3Å; Q500-D537 PolarHBondContact NE2-OD1 2.92Å; Q500-D537 PolarHBondContact NE2-OD2 3.21Å
501	K	75.1	Confident	69.9	Low	67 Å²	67	43.2 Å²	43.2	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-57.4	-47.7	176.8	-77.2	-178	179.5	-159.3	0	112.4	D470 I497 I498 A499 I503 Y504 V505	D470-K501 WeakPolarHBondContact OD2-CE 3.03Å; D470-K501 IonicContact OD2-NZ 2.9Å; D470-K501 PolarHBondContact OD2-NZ 3.14Å; I497-K501 WeakPolarHBondContact O-CB 3.07Å; I497-K501 VanDerWaalsContact O-CG 3.31Å; I497-K501 WeakPolarHBondContact O-CG 3.27Å; I497-K501 PolarHBondContact O-N 3.09Å; I498-K501 PolarHBondContact O-N 3.35Å; A499-K501 PolarHBondContact O-N 3.25Å; K501-I503 VanDerWaalsContact C-N 3.33Å; K501-I503 PolarHBondContact O-N 3.07Å; K501-Y504 PolarHBondContact O-N 3.41Å; K501-V505 WeakPolarHBondContact O-CG2 3.35Å; K501-V505 PolarHBondContact O-N 3.06Å
502	I	80.2	Confident	71.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-45.6	177.7	-67.4	170.6	0	0	0	110.3	M343 W350 L351 V355 L435 L437 I481 I498 A499 Q500 Y504 V505 I506	M343-I502 HydrophobicContact CE-CD1 4.06Å; W350-I502 HydrophobicContact CH2-CD1 4.45Å; W350-I502 HydrophobicContact CZ3-CD1 4.12Å; L351-I502 HydrophobicContact CD2-CD1 4.46Å; V355-I502 HydrophobicContact CG1-CG2 3.86Å; V355-I502 HydrophobicContact CG2-CB 4.19Å; V355-I502 HydrophobicContact CG2-CG2 3.99Å; L435-I502 HydrophobicContact CD1-CG2 4.39Å; L437-I502 HydrophobicContact CD1-CD1 4.34Å; L437-I502 HydrophobicContact CD2-CD1 4.12Å; L437-I502 HydrophobicContact CD2-CG1 4.26Å; I481-I502 HydrophobicContact CD1-CG1 4.47Å; I498-I502 HydrophobicContact CG2-CD1 3.99Å; I498-I502 WeakPolarHBondContact O-CG1 3.44Å; I498-I502 PolarHBondContact O-N 3.23Å; A499-I502 PolarHBondContact O-N 3.45Å; Q500-I502 PolarHBondContact O-N 3.16Å; I502-Y504 VanDerWaalsContact C-N 3.34Å; I502-Y504 PolarHBondContact O-N 2.97Å; I502-V505 PolarHBondContact O-N 2.88Å; I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.35Å; I502-I506 WeakPolarHBondContact O-CG1 3.26Å; I502-I506 PolarHBondContact O-N 3.04Å
503	I	81.8	Confident	73	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-44.8	177.6	-65.5	159.1	0	0	0	110.8	V355 A358 F359 A499 Q500 K501 V505 I506 R507 N539 G540	V355-I503 HydrophobicContact CB-CG1 4.29Å; V355-I503 HydrophobicContact CG1-CG1 3.86Å; V355-I503 HydrophobicContact CG2-CG1 4.42Å; A358-I503 HydrophobicContact CB-CD1 3.57Å; A358-I503 HydrophobicContact CB-CG1 3.86Å; A358-I503 HydrophobicContact CB-CG2 3.88Å; F359-I503 HydrophobicContact CE2-CG1 4.38Å; F359-I503 HydrophobicContact CZ-CG2 4.1Å; A499-I503 WeakPolarHBondContact O-CB 3.49Å; A499-I503 WeakPolarHBondContact O-CD1 3.27Å; A499-I503 WeakPolarHBondContact O-CG1 3.42Å; A499-I503 PolarHBondContact O-N 3.47Å; Q500-I503 PolarHBondContact O-N 3.3Å; K501-I503 VanDerWaalsContact C-N 3.33Å; K501-I503 PolarHBondContact O-N 3.07Å; I503-V505 VanDerWaalsContact C-N 3.34Å; I503-V505 PolarHBondContact O-N 2.76Å; I503-I506 PolarHBondContact O-N 2.94Å; I503-R507 HydrophobicContact CG2-CG 4.17Å; I503-R507 VanDerWaalsContact O-CB 3.3Å; I503-R507 WeakPolarHBondContact O-CB 3.34Å; I503-R507 VanDerWaalsContact O-CG 3.28Å; I503-R507 WeakPolarHBondContact O-CG 2.77Å; I503-R507 PolarHBondContact O-N 3.05Å; I503-N539 WeakPolarHBondContact CD1-O 3.22Å; I503-G540 WeakPolarHBondContact CG2-O 3.47Å
504	Y	76.5	Confident	73.5	Confident	115 Å²	115	28.3 Å²	28.3	45%	0.451	14%	0.137	S	C	.	.	H	α-helix	trans	-61	-42.6	177.4	-81.3	-62.4	0	0	0	112.2	Q500 K501 I502 S508	Q500-Y504 HydrophobicContact CB-CD2 4.35Å; Q500-Y504 HydrophobicContact CB-CE2 4.22Å; Q500-Y504 WeakPolarHBondContact O-CB 3.43Å; Q500-Y504 WeakPolarHBondContact O-CD2 3.14Å; Q500-Y504 PolarHBondContact O-N 3.11Å; K501-Y504 PolarHBondContact O-N 3.41Å; I502-Y504 VanDerWaalsContact C-N 3.34Å; I502-Y504 PolarHBondContact O-N 2.97Å; Y504-S508 VanDerWaalsContact O-CB 3.3Å; Y504-S508 WeakPolarHBondContact O-CB 3.33Å; Y504-S508 PolarHBondContact O-N 3.2Å
505	V	77.2	Confident	73.3	Confident	12 Å²	12	28.5 Å²	28.5	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-52.8	175.7	173.8	0	0	0	0	109.8	L435 Y471 I481 K501 I502 I503 R507 S508 I509	L435-V505 HydrophobicContact CD2-CG1 4.06Å; Y471-V505 HydrophobicContact CG-CG2 4.1Å; I481-V505 HydrophobicContact CD1-CB 4.02Å; I481-V505 HydrophobicContact CD1-CG1 3.92Å; I481-V505 HydrophobicContact CD1-CG2 3.99Å; I481-V505 HydrophobicContact CG1-CG1 4.33Å; I481-V505 HydrophobicContact CG1-CG2 4.28Å; K501-V505 WeakPolarHBondContact O-CG2 3.35Å; K501-V505 PolarHBondContact O-N 3.06Å; I502-V505 PolarHBondContact O-N 2.88Å; I503-V505 VanDerWaalsContact C-N 3.34Å; I503-V505 PolarHBondContact O-N 2.76Å; V505-R507 PolarHBondContact O-N 2.79Å; V505-S508 WeakPolarHBondContact O-CB 3.29Å; V505-S508 PolarHBondContact O-N 3.19Å; V505-S508 VanDerWaalsContact O-N 3.07Å; V505-I509 HydrophobicContact CG1-CD1 3.76Å; V505-I509 HydrophobicContact CG1-CG1 4.29Å; V505-I509 VanDerWaalsContact O-CG1 3.32Å; V505-I509 WeakPolarHBondContact O-CG1 3.44Å; V505-I509 PolarHBondContact O-N 3.49Å
506	I	82.4	Confident	72.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-51.2	179	-67.3	167.8	0	0	0	110.8	V315 V355 F359 F370 L433 L435 I502 I503 S508 I509 L510	V315-I506 HydrophobicContact CG1-CD1 4.12Å; V315-I506 HydrophobicContact CG1-CG1 4.46Å; V355-I506 HydrophobicContact CG1-CD1 3.83Å; F359-I506 HydrophobicContact CE1-CG2 3.88Å; F359-I506 HydrophobicContact CE2-CD1 4.2Å; F359-I506 HydrophobicContact CE2-CG2 4.23Å; F359-I506 HydrophobicContact CZ-CB 3.87Å; F359-I506 HydrophobicContact CZ-CD1 4.28Å; F359-I506 HydrophobicContact CZ-CG2 3.45Å; F359-I506 VanDerWaalsContact CZ-CG2 3.45Å; F370-I506 HydrophobicContact CE1-CD1 3.79Å; F370-I506 HydrophobicContact CZ-CD1 4.25Å; L433-I506 HydrophobicContact CD2-CG1 4.26Å; L435-I506 HydrophobicContact CD1-CD1 4.08Å; L435-I506 HydrophobicContact CD1-CG1 3.64Å; I502-I506 HydrophobicContact CG2-CD1 3.7Å; I502-I506 HydrophobicContact CG2-CG1 4.35Å; I502-I506 WeakPolarHBondContact O-CG1 3.26Å; I502-I506 PolarHBondContact O-N 3.04Å; I503-I506 PolarHBondContact O-N 2.94Å; I506-S508 VanDerWaalsContact C-N 3.26Å; I506-S508 PolarHBondContact O-N 2.79Å; I506-I509 PolarHBondContact O-N 3.38Å; I506-L510 HydrophobicContact CG2-CD1 3.64Å; I506-L510 HydrophobicContact CG2-CG 4.2Å; I506-L510 WeakPolarHBondContact O-CB 3.33Å; I506-L510 VanDerWaalsContact O-CG 3.26Å; I506-L510 WeakPolarHBondContact O-CG 3.43Å; I506-L510 PolarHBondContact O-N 2.91Å
507	R	80.9	Confident	71.3	Confident	17 Å²	17	32.8 Å²	32.8	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-54.8	-44	177.2	-77.6	177.1	63.4	175.9	-3.3	111.5	F359 W362 I503 V505 L510 G511 F512 G540 Q541 E546	F359-R507 HydrophobicContact CE1-CG 4.11Å; F359-R507 HydrophobicContact CZ-CG 4.46Å; W362-R507 HydrophobicContact CZ2-CG 4.48Å; I503-R507 HydrophobicContact CG2-CG 4.17Å; I503-R507 VanDerWaalsContact O-CB 3.3Å; I503-R507 WeakPolarHBondContact O-CB 3.34Å; I503-R507 VanDerWaalsContact O-CG 3.28Å; I503-R507 WeakPolarHBondContact O-CG 2.77Å; I503-R507 PolarHBondContact O-N 3.05Å; V505-R507 PolarHBondContact O-N 2.79Å; R507-L510 CarbonylContact O-C 3.58Å; R507-L510 PolarHBondContact O-N 2.56Å; R507-G511 PolarHBondContact O-N 2.86Å; R507-F512 HydrophobicContact CB-CB 4.08Å; R507-F512 HydrophobicContact CB-CD2 4.29Å; R507-F512 HydrophobicContact CB-CG 4.33Å; R507-F512 HydrophobicContact CG-CD2 4.43Å; R507-F512 WeakPolarHBondContact O-CB 3.5Å; R507-F512 PolarHBondContact O-N 2.79Å; R507-G540 PolarHBondContact NH1-O 3.13Å; R507-Q541 PolarHBondContact NH1-O 3.26Å; R507-E546 IonicContact CZ-OE2 2.71Å; R507-E546 IonicContact NH2-OE1 3.5Å; R507-E546 PolarHBondContact NH2-OE1 3.04Å; R507-E546 IonicContact NH2-OE2 2.91Å; R507-E546 PolarHBondContact NH2-OE2 2.73Å; R507-E546 VanDerWaalsContact NH2-OE2 3.08Å
508	S	75.2	Confident	69.9	Low	7 Å²	7	30 Å²	30	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-46	179.7	-156.1	0	0	0	0	112.3	I299 I303 Y504 V505 I506 L510 G511 Q514	I299-S508 WeakPolarHBondContact CG2-OG 3.4Å; I303-S508 VanDerWaalsContact CD1-O 3.3Å; I303-S508 WeakPolarHBondContact CD1-O 3.32Å; I303-S508 WeakPolarHBondContact CD1-OG 3.36Å; Y504-S508 VanDerWaalsContact O-CB 3.3Å; Y504-S508 WeakPolarHBondContact O-CB 3.33Å; Y504-S508 PolarHBondContact O-N 3.2Å; V505-S508 WeakPolarHBondContact O-CB 3.29Å; V505-S508 PolarHBondContact O-N 3.19Å; V505-S508 VanDerWaalsContact O-N 3.07Å; I506-S508 VanDerWaalsContact C-N 3.26Å; I506-S508 PolarHBondContact O-N 2.79Å; S508-L510 VanDerWaalsContact C-N 3.31Å; S508-L510 PolarHBondContact O-N 3.17Å; S508-G511 PolarHBondContact O-N 3.39Å; S508-Q514 PolarHBondContact OG-NE2 3.21Å
509	I	76.7	Confident	68.4	Low	6 Å²	6	34.1 Å²	34.1	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-35.5	-179.7	-54.3	175.8	0	0	0	110.6	L307 L433 L435 L473 V505 I506 G511	L307-I509 HydrophobicContact CD1-CB 4.37Å; L307-I509 HydrophobicContact CD1-CG2 3.47Å; L307-I509 VanDerWaalsContact CD1-CG2 3.47Å; L307-I509 HydrophobicContact CG-CG2 3.75Å; L307-I509 PolarHBondContact N-O 2.99Å; L433-I509 HydrophobicContact CD1-CD1 3.71Å; L433-I509 HydrophobicContact CD1-CG2 4.04Å; L433-I509 HydrophobicContact CD2-CD1 4.13Å; L435-I509 HydrophobicContact CD2-CD1 4.1Å; L473-I509 HydrophobicContact CD2-CD1 4.33Å; L473-I509 HydrophobicContact CD2-CG1 3.93Å; L473-I509 HydrophobicContact CD2-CG2 4.26Å; L473-I509 HydrophobicContact CG-CD1 4.46Å; L473-I509 HydrophobicContact CG-CG1 4.31Å; V505-I509 HydrophobicContact CG1-CD1 3.76Å; V505-I509 HydrophobicContact CG1-CG1 4.29Å; V505-I509 VanDerWaalsContact O-CG1 3.32Å; V505-I509 WeakPolarHBondContact O-CG1 3.44Å; V505-I509 PolarHBondContact O-N 3.49Å; I506-I509 PolarHBondContact O-N 3.38Å; I509-G511 PolarHBondContact O-N 2.94Å
510	L	80	Confident	66.8	Low	2 Å²	2	36.3 Å²	36.3	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	0.6	172.8	-65.2	179.4	0	0	0	113.6	L307 Y313 W362 I506 R507 S508 F512 W550 R554	L307-L510 HydrophobicContact CD1-CD2 3.88Å; Y313-L510 HydrophobicContact CD1-CD2 3.41Å; Y313-L510 VanDerWaalsContact CD1-CD2 3.41Å; Y313-L510 HydrophobicContact CD2-CD2 3.97Å; Y313-L510 HydrophobicContact CE1-CD2 3.42Å; Y313-L510 VanDerWaalsContact CE1-CD2 3.42Å; Y313-L510 HydrophobicContact CE2-CD2 3.97Å; Y313-L510 HydrophobicContact CG-CD2 3.69Å; W362-L510 HydrophobicContact CH2-CD1 3.68Å; W362-L510 HydrophobicContact CZ3-CD1 3.57Å; I506-L510 HydrophobicContact CG2-CD1 3.64Å; I506-L510 HydrophobicContact CG2-CG 4.2Å; I506-L510 WeakPolarHBondContact O-CB 3.33Å; I506-L510 VanDerWaalsContact O-CG 3.26Å; I506-L510 WeakPolarHBondContact O-CG 3.43Å; I506-L510 PolarHBondContact O-N 2.91Å; R507-L510 CarbonylContact O-C 3.58Å; R507-L510 PolarHBondContact O-N 2.56Å; S508-L510 VanDerWaalsContact C-N 3.31Å; S508-L510 PolarHBondContact O-N 3.17Å; L510-F512 HydrophobicContact CB-CD2 4.28Å; L510-W550 PolarHBondContact O-NE1 3.3Å; L510-R554 PolarHBondContact O-NE 3.29Å; L510-R554 PolarHBondContact O-NH2 3.41Å
511	G	75.9	Confident	65	Low	5 Å²	5	40.2 Å²	40.2	5%	0.052	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	15.2	171.6	0	0	0	0	0	115.2	R507 S508 I509 R553	R507-G511 PolarHBondContact O-N 2.86Å; S508-G511 PolarHBondContact O-N 3.39Å; I509-G511 PolarHBondContact O-N 2.94Å; G511-R553 PolarHBondContact O-NH1 2.85Å; G511-R553 VanDerWaalsContact O-NH1 3.12Å
512	F	77.3	Confident	63.2	Low	7 Å²	7	47.1 Å²	47.1	3%	0.031	21%	0.209	C	C	.	.			trans	-67	131.6	170.1	-78.5	-94.8	0	0	0	110.1	W362 R507 L510 Q514 T542 L547 W550	W362-F512 AromaticContact CE2-CZ 3.79Å; W362-F512 HydrophobicContact CH2-CD2 4.02Å; W362-F512 AromaticContact CH2-CE2 3.18Å; W362-F512 HydrophobicContact CH2-CE2 3.18Å; W362-F512 AromaticContact CH2-CZ 3.72Å; W362-F512 HydrophobicContact CH2-CZ 3.72Å; W362-F512 HydrophobicContact CZ2-CD2 4.1Å; W362-F512 HydrophobicContact CZ2-CE1 4.18Å; W362-F512 AromaticContact CZ2-CE2 3.22Å; W362-F512 HydrophobicContact CZ2-CE2 3.22Å; W362-F512 AromaticContact CZ2-CZ 3.27Å; W362-F512 HydrophobicContact CZ2-CZ 3.27Å; W362-F512 HydrophobicContact CZ3-CE2 4.09Å; R507-F512 HydrophobicContact CB-CB 4.08Å; R507-F512 HydrophobicContact CB-CD2 4.29Å; R507-F512 HydrophobicContact CB-CG 4.33Å; R507-F512 HydrophobicContact CG-CD2 4.43Å; R507-F512 WeakPolarHBondContact O-CB 3.5Å; R507-F512 PolarHBondContact O-N 2.79Å; L510-F512 HydrophobicContact CB-CD2 4.28Å; F512-Q514 PolarHBondContact O-N 3.06Å; F512-T542 HydrophobicContact CD1-CG2 3.97Å; F512-T542 HydrophobicContact CE1-CG2 3.4Å; F512-T542 HydrophobicContact CZ-CG2 4.1Å; F512-L547 HydrophobicContact CE1-CD1 4.4Å; F512-L547 HydrophobicContact CZ-CD1 4.09Å; F512-W550 HydrophobicContact CD1-CB 3.98Å; F512-W550 AromaticContact CD1-CD1 3.97Å; F512-W550 HydrophobicContact CD1-CG 4.17Å; F512-W550 AromaticContact CD2-CD1 3.41Å; F512-W550 VanDerWaalsContact CD2-CD1 3.41Å; F512-W550 HydrophobicContact CD2-CG 4.12Å; F512-W550 AromaticContact CD2-NE1 3.65Å; F512-W550 HydrophobicContact CE1-CB 3.42Å; F512-W550 VanDerWaalsContact CE1-CB 3.42Å; F512-W550 AromaticContact CE1-CD1 3.84Å; F512-W550 AromaticContact CE1-CG 3.65Å; F512-W550 HydrophobicContact CE1-CG 3.65Å; F512-W550 HydrophobicContact CE2-CB 4.29Å; F512-W550 AromaticContact CE2-CD1 3.24Å; F512-W550 AromaticContact CE2-CD2 3.91Å; F512-W550 HydrophobicContact CE2-CD2 3.91Å; F512-W550 AromaticContact CE2-CE2 3.79Å; F512-W550 AromaticContact CE2-CG 3.57Å; F512-W550 HydrophobicContact CE2-CG 3.57Å; F512-W550 AromaticContact CE2-NE1 3.35Å; F512-W550 VanDerWaalsContact CE2-NE1 3.35Å; F512-W550 AromaticContact CG-CD1 3.77Å; F512-W550 HydrophobicContact CG-CG 4.39Å; F512-W550 HydrophobicContact CZ-CB 3.61Å; F512-W550 AromaticContact CZ-CD1 3.48Å; F512-W550 VanDerWaalsContact CZ-CD1 3.48Å; F512-W550 AromaticContact CZ-CD2 3.77Å; F512-W550 HydrophobicContact CZ-CD2 3.77Å; F512-W550 AromaticContact CZ-CG 3.32Å; F512-W550 HydrophobicContact CZ-CG 3.32Å; F512-W550 AromaticContact CZ-NE1 3.95Å
513	P	63.5	Low	61.2	Low	21 Å²	21	52 Å²	52	14%	0.136	24%	0.236	C	C	.	.			trans	-63	129.1	171.9	24.8	-28.8	0	0	0	108.8	I515 L549	P513-I515 HydrophobicContact CG-CD1 4.21Å; P513-I515 PolarHBondContact O-N 2.86Å; P513-L549 HydrophobicContact CG-CD2 3.63Å
514	Q	57	Low	59.4	Low	23 Å²	23	59.8 Å²	59.8	11%	0.107	28%	0.276	C	S	.	.			trans	-78.3	93.2	174.1	-67.6	-159.8	-14.7	0	0	108.8	N297 S508 F512 K516	N297-Q514 HydrophobicContact CB-CB 4.5Å; N297-Q514 VanDerWaalsContact CB-OE1 3.31Å; N297-Q514 PolarHBondContact ND2-OE1 2.98Å; S508-Q514 PolarHBondContact OG-NE2 3.21Å; F512-Q514 PolarHBondContact O-N 3.06Å; Q514-K516 VanDerWaalsContact C-N 3.31Å; Q514-K516 PolarHBondContact O-N 3.39Å
515	I	53.7	Low	57.8	Low	32 Å²	32	60.2 Å²	60.2	16%	0.164	29%	0.286	C	S	.	.			trans	-79	88.6	172.4	-57.6	125.5	0	0	0	106.8	P513 I532 W545 E546	P513-I515 HydrophobicContact CG-CD1 4.21Å; P513-I515 PolarHBondContact O-N 2.86Å; I515-I532 HydrophobicContact CG2-CD1 3.46Å; I515-I532 VanDerWaalsContact CG2-CD1 3.46Å; I515-W545 HydrophobicContact CB-CH2 4.36Å; I515-W545 HydrophobicContact CD1-CH2 3.17Å; I515-W545 HydrophobicContact CD1-CZ2 3.94Å; I515-W545 HydrophobicContact CD1-CZ3 3.64Å; I515-W545 HydrophobicContact CG1-CH2 3.71Å; I515-W545 HydrophobicContact CG1-CZ3 4.37Å; I515-W545 HydrophobicContact CG2-CH2 4.16Å; I515-E546 HydrophobicContact CD1-CG 3.48Å; I515-E546 VanDerWaalsContact CD1-CG 3.48Å; I515-E546 WeakPolarHBondContact CD1-OE1 3.49Å
516	K	44.3	Very low	56.5	Low	135 Å²	135	65 Å²	65	59%	0.587	31%	0.311	S	S	*	.			trans	-63.2	149.6	154.7	-97.5	-176.7	175.5	163.8	0	107.5	N297 Q514 M518	N297-K516 VanDerWaalsContact OD1-CD 3.22Å; N297-K516 WeakPolarHBondContact OD1-CD 3.37Å; N297-K516 WeakPolarHBondContact OD1-CE 3.46Å; N297-K516 PolarHBondContact OD1-NZ 2.75Å; Q514-K516 VanDerWaalsContact C-N 3.31Å; Q514-K516 PolarHBondContact O-N 3.39Å; K516-M518 VanDerWaalsContact C-N 3.33Å; K516-M518 PolarHBondContact O-N 2.98Å
517	E	42.8	Very low	55.1	Low	112 Å²	112	68.4 Å²	68.4	52%	0.523	33%	0.332	S	S	.	.			trans	-38.7	99.1	169.2	-71.5	173.5	171.5	0	0	109.4	Y519 S534	E517-Y519 HydrophobicContact CB-CD2 4.48Å; E517-Y519 PolarHBondContact O-N 3.34Å; E517-S534 PolarHBondContact OE1-OG 3.2Å
518	M	40.5	Very low	54	Low	26 Å²	26	70.1 Å²	70.1	13%	0.128	34%	0.34	C	S	.	.			trans	-74.8	84.2	178.6	-93.6	172.2	125.8	0	0	106.1	Y296 K516 F520 Y530 I532	Y296-M518 HydrophobicContact CE1-CE 4.25Å; Y296-M518 VanDerWaalsContact OH-CE 3.26Å; Y296-M518 WeakPolarHBondContact OH-CE 3.29Å; K516-M518 VanDerWaalsContact C-N 3.33Å; K516-M518 PolarHBondContact O-N 2.98Å; M518-F520 VanDerWaalsContact C-N 3.29Å; M518-F520 HydrophobicContact CB-CD2 4.44Å; M518-F520 HydrophobicContact CE-CD2 4.06Å; M518-F520 HydrophobicContact CE-CE2 3.64Å; M518-F520 HydrophobicContact CG-CD2 4.32Å; M518-F520 HydrophobicContact CG-CE2 4.49Å; M518-F520 PolarHBondContact O-N 3.05Å; M518-Y530 HydrophobicContact CB-CE2 3.76Å; M518-Y530 VanDerWaalsContact CE-OH 3.29Å; M518-Y530 WeakPolarHBondContact CE-OH 3.15Å; M518-Y530 HydrophobicContact SD-CE2 4.25Å; M518-Y530 PolarHBondContact SD-OH 3.31Å; M518-I532 HydrophobicContact CB-CD1 4.02Å; M518-I532 HydrophobicContact SD-CD1 4.46Å
519	Y	41.4	Very low	53.5	Low	96 Å²	96	72 Å²	72	38%	0.376	35%	0.351	S	S	.	.			trans	-80.3	84.6	157.7	-95.8	-90.2	0	0	0	107.5	M215 E517 D521 H531	M215-Y519 HydrophobicContact CE-CE2 4.3Å; M215-Y519 HydrophobicContact SD-CE1 4.07Å; M215-Y519 PolarHBondContact SD-OH 3.03Å; E517-Y519 HydrophobicContact CB-CD2 4.48Å; E517-Y519 PolarHBondContact O-N 3.34Å; Y519-D521 PolarHBondContact O-N 2.79Å; Y519-H531 AromaticContact CE2-CD2 3.64Å; Y519-H531 AromaticContact CE2-NE2 3.4Å; Y519-H531 WeakPolarHBondContact CE2-NE2 3.03Å; Y519-H531 AromaticContact CZ-CD2 3.38Å; Y519-H531 AromaticContact CZ-NE2 3.41Å; Y519-H531 PolarHBondContact OH-CD2 2.75Å; Y519-H531 PolarHBondContact OH-NE2 3.4Å
520	F	44.4	Very low	53	Low	50 Å²	50	72.3 Å²	72.3	22%	0.219	35%	0.352	C	S	.	.			trans	-81.3	89.1	165.6	-102.7	-85.8	0	0	0	108.6	M518 D523 Y530	M518-F520 VanDerWaalsContact C-N 3.29Å; M518-F520 HydrophobicContact CB-CD2 4.44Å; M518-F520 HydrophobicContact CE-CD2 4.06Å; M518-F520 HydrophobicContact CE-CE2 3.64Å; M518-F520 HydrophobicContact CG-CD2 4.32Å; M518-F520 HydrophobicContact CG-CE2 4.49Å; M518-F520 PolarHBondContact O-N 3.05Å; F520-D523 HydrophobicContact CD1-CB 4.38Å; F520-D523 HydrophobicContact CE1-CB 4.15Å; F520-Y530 HydrophobicContact CB-CE1 4.38Å
521	D	39.1	Very low	52.4	Low	110 Å²	110	72.7 Å²	72.7	59%	0.588	35%	0.354	S	S	*	.			trans	-110.8	2.1	165.2	-164.7	31.1	0	0	0	112.3	Y519	Y519-D521 PolarHBondContact O-N 2.79Å
522	R	36.7	Very low	52	Low	212 Å²	212	72.9 Å²	72.9	80%	0.8	35%	0.354	S	S	*	.			trans	-149.3	82.3	-177.9	-93.7	178.6	-84.5	-171.5	-3.6	112.7
523	D	37.6	Very low	51.4	Low	105 Å²	105	72.7 Å²	72.7	56%	0.561	35%	0.353	S	S	*	.	S	Bend	trans	-127.9	152.6	145	-121.1	-17.8	0	0	0	108.5	F520 D525 N526	F520-D523 HydrophobicContact CD1-CB 4.38Å; F520-D523 HydrophobicContact CE1-CB 4.15Å; D523-D525 PolarHBondContact O-N 3.13Å; D523-N526 PolarHBondContact O-N 3.46Å; D523-N526 VanDerWaalsContact O-N 3.1Å; D523-N526 PolarHBondContact O-OD1 2.88Å
524	I	44.2	Very low	51.2	Low	163 Å²	163	73.3 Å²	73.3	84%	0.836	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.9	-163.6	-68.1	159.7	0	0	0	114.6
525	D	43.9	Very low	50.7	Low	124 Å²	124	74.6 Å²	74.6	66%	0.663	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-10.2	-176.5	-69.7	-21.4	0	0	0	115.5	D523 T527	D523-D525 PolarHBondContact O-N 3.13Å; D525-T527 HydrophobicContact CB-CG2 4.26Å; D525-T527 WeakPolarHBondContact O-CG2 3.14Å; D525-T527 PolarHBondContact O-N 2.93Å
526	N	50.1	Low	50.6	Low	113 Å²	113	77 Å²	77	60%	0.604	38%	0.377	S	S	*	.			trans	42.5	29.3	175.2	-88	6.1	0	0	0	115.4	K226 D523	K226-N526 PolarHBondContact NZ-O 2.89Å; D523-N526 PolarHBondContact O-N 3.46Å; D523-N526 VanDerWaalsContact O-N 3.1Å; D523-N526 PolarHBondContact O-OD1 2.88Å
527	T	52.6	Low	51.1	Low	71 Å²	71	75.8 Å²	75.8	44%	0.436	38%	0.377	S	S	.	.			trans	-88.4	-24.9	-163.6	45	0	0	0	0	114.8	K226 D525	K226-T527 WeakPolarHBondContact CD-O 3.34Å; D525-T527 HydrophobicContact CB-CG2 4.26Å; D525-T527 WeakPolarHBondContact O-CG2 3.14Å; D525-T527 PolarHBondContact O-N 2.93Å
528	H	58.2	Low	52	Low	53 Å²	53	71.5 Å²	71.5	25%	0.245	36%	0.357	C	S	.	.			trans	-142.6	135.6	-172.7	-55.5	85.4	0	0	0	110.8	H263 Y266	H263-H528 AromaticContact ND1-CD2 3.81Å; Y266-H528 HydrophobicContact CD1-CB 3.87Å; Y266-H528 AromaticContact CD1-CG 3.85Å; Y266-H528 AromaticContact CD2-CE1 3.9Å; Y266-H528 AromaticContact CD2-ND1 3.79Å; Y266-H528 HydrophobicContact CE1-CB 3.78Å; Y266-H528 AromaticContact CE2-ND1 3.85Å; Y266-H528 HydrophobicContact CG-CB 4.41Å; Y266-H528 AromaticContact CG-CD2 3.93Å; Y266-H528 AromaticContact CG-CG 3.88Å
529	T	64.2	Low	53.2	Low	45 Å²	45	73.2 Å²	73.2	28%	0.276	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.8	179.5	50.8	0	0	0	0	110.5	P227 S229	P227-T529 PolarHBondContact O-OG1 3.34Å; S229-T529 PolarHBondContact N-O 3.11Å
530	Y	66.5	Low	54.4	Low	13 Å²	13	68.9 Å²	68.9	5%	0.051	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.5	175.4	65.3	-87.8	0	0	0	110.8	S229 I231 Y266 L267 V271 M518 F520 I532	S229-Y530 CarbonylContact O-C 3.53Å; S229-Y530 VanDerWaalsContact O-CA 3.31Å; S229-Y530 WeakPolarHBondContact O-CA 3.31Å; S229-Y530 WeakPolarHBondContact OG-CB 3.1Å; I231-Y530 HydrophobicContact CD1-CD2 4.47Å; Y266-Y530 HydrophobicContact CE1-CD1 4.49Å; Y266-Y530 HydrophobicContact CE1-CE1 4.22Å; L267-Y530 HydrophobicContact CD2-CD1 4.08Å; L267-Y530 HydrophobicContact CD2-CD2 4.49Å; L267-Y530 HydrophobicContact CD2-CG 3.88Å; V271-Y530 HydrophobicContact CB-CE2 4.5Å; V271-Y530 HydrophobicContact CG1-CD2 4.45Å; V271-Y530 HydrophobicContact CG1-CE2 3.91Å; V271-Y530 HydrophobicContact CG2-CD1 4.32Å; V271-Y530 HydrophobicContact CG2-CD2 4.29Å; V271-Y530 HydrophobicContact CG2-CE1 3.77Å; V271-Y530 HydrophobicContact CG2-CE2 3.72Å; V271-Y530 VanDerWaalsContact CG2-CZ 3.43Å; M518-Y530 HydrophobicContact CB-CE2 3.76Å; M518-Y530 VanDerWaalsContact CE-OH 3.29Å; M518-Y530 WeakPolarHBondContact CE-OH 3.15Å; M518-Y530 HydrophobicContact SD-CE2 4.25Å; M518-Y530 PolarHBondContact SD-OH 3.31Å; F520-Y530 HydrophobicContact CB-CE1 4.38Å; Y530-I532 HydrophobicContact CD2-CG1 4.25Å; Y530-I532 HydrophobicContact CE2-CD1 4.31Å; Y530-I532 HydrophobicContact CE2-CG1 4.27Å
531	H	67.5	Low	56	Low	11 Å²	11	68 Å²	68	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.1	175.6	-172.7	-82.4	0	0	0	109.6	F217 F228 S229 I230 I231 Y519	F217-H531 AromaticContact CZ-CD2 3.77Å; F228-H531 HydrophobicContact CE2-CB 3.95Å; F228-H531 HydrophobicContact CZ-CB 3.7Å; S229-H531 PolarHBondContact O-N 3.1Å; I230-H531 CarbonylContact C-O 3.55Å; I230-H531 VanDerWaalsContact CA-O 3.32Å; I230-H531 WeakPolarHBondContact CA-O 3.47Å; I231-H531 PolarHBondContact N-O 3.4Å; Y519-H531 AromaticContact CE2-CD2 3.64Å; Y519-H531 AromaticContact CE2-NE2 3.4Å; Y519-H531 WeakPolarHBondContact CE2-NE2 3.03Å; Y519-H531 AromaticContact CZ-CD2 3.38Å; Y519-H531 AromaticContact CZ-NE2 3.41Å; Y519-H531 PolarHBondContact OH-CD2 2.75Å; Y519-H531 PolarHBondContact OH-NE2 3.4Å
532	I	67.3	Low	57.9	Low	8 Å²	8	62.8 Å²	62.8	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.2	171.7	-57.4	-178.9	0	0	0	106.6	I231 V271 I515 M518 Y530 S534	I231-I532 HydrophobicContact CD1-CG1 4.28Å; V271-I532 HydrophobicContact CG1-CD1 4.23Å; I515-I532 HydrophobicContact CG2-CD1 3.46Å; I515-I532 VanDerWaalsContact CG2-CD1 3.46Å; M518-I532 HydrophobicContact CB-CD1 4.02Å; M518-I532 HydrophobicContact SD-CD1 4.46Å; Y530-I532 HydrophobicContact CD2-CG1 4.25Å; Y530-I532 HydrophobicContact CE2-CD1 4.31Å; Y530-I532 HydrophobicContact CE2-CG1 4.27Å; I532-S534 PolarHBondContact O-N 2.87Å
533	Q	64.4	Low	60.1	Low	4 Å²	4	52.7 Å²	52.7	2%	0.019	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	105.6	-178.2	-170.1	173.7	11.1	0	0	110.1	L212 I230 I231 R232 N233 N535	L212-Q533 VanDerWaalsContact CD2-CD 3.41Å; L212-Q533 HydrophobicContact CD2-CG 3.65Å; I230-Q533 HydrophobicContact CG2-CB 3.68Å; I231-Q533 PolarHBondContact O-N 2.85Å; R232-Q533 VanDerWaalsContact NH1-NE2 3.18Å; N233-Q533 WeakPolarHBondContact CB-O 3.32Å; N233-Q533 VanDerWaalsContact CG-O 3.29Å; N233-Q533 PolarHBondContact ND2-O 2.88Å; Q533-N535 VanDerWaalsContact C-N 3.33Å; Q533-N535 HydrophobicContact CG-CB 3.89Å; Q533-N535 VanDerWaalsContact CG-CG 3.46Å; Q533-N535 WeakPolarHBondContact CG-OD1 3.3Å; Q533-N535 PolarHBondContact NE2-ND2 3.23Å; Q533-N535 PolarHBondContact NE2-OD1 3.32Å
534	S	59.1	Low	62.3	Low	34 Å²	34	47.8 Å²	47.8	24%	0.238	26%	0.256	C	S	.	.			trans	-89.7	13.1	177.4	67.4	0	0	0	0	113.6	E517 I532 M536	E517-S534 PolarHBondContact OE1-OG 3.2Å; I532-S534 PolarHBondContact O-N 2.87Å; S534-M536 CarbonylContact O-C 3.58Å; S534-M536 VanDerWaalsContact O-C 3.26Å; S534-M536 PolarHBondContact O-N 3.01Å; S534-M536 VanDerWaalsContact O-O 3.09Å
535	N	45.6	Very low	64.3	Low	49 Å²	49	40.1 Å²	40.1	26%	0.262	22%	0.216	S	C	.	.			trans	-55.9	-7	-170.8	-74.1	44.5	0	0	0	117.1	D213 Q533	D213-N535 PolarHBondContact OD1-ND2 2.87Å; D213-N535 PolarHBondContact OD2-OD1 3.04Å; Q533-N535 VanDerWaalsContact C-N 3.33Å; Q533-N535 HydrophobicContact CG-CB 3.89Å; Q533-N535 VanDerWaalsContact CG-CG 3.46Å; Q533-N535 WeakPolarHBondContact CG-OD1 3.3Å; Q533-N535 PolarHBondContact NE2-ND2 3.23Å; Q533-N535 PolarHBondContact NE2-OD1 3.32Å
536	M	52.1	Low	66.3	Low	84 Å²	84	34.9 Å²	34.9	41%	0.414	19%	0.188	S	C	.	.	S	Bend	trans	-106	114	164.8	-71.3	-175.1	-73.7	0	0	106.8	N233 L234 S534 L538	N233-M536 WeakPolarHBondContact O-CE 3.35Å; L234-M536 HydrophobicContact CD2-CE 4.18Å; S534-M536 CarbonylContact O-C 3.58Å; S534-M536 VanDerWaalsContact O-C 3.26Å; S534-M536 PolarHBondContact O-N 3.01Å; S534-M536 VanDerWaalsContact O-O 3.09Å; M536-L538 HydrophobicContact CB-CD2 3.77Å; M536-L538 HydrophobicContact CB-CG 3.79Å; M536-L538 HydrophobicContact CE-CD2 4.3Å; M536-L538 WeakPolarHBondContact O-CG 3.35Å; M536-L538 PolarHBondContact O-N 2.88Å; M536-L538 HydrophobicContact SD-CD2 4.35Å
537	D	54.5	Low	68.1	Low	109 Å²	109	29.7 Å²	29.7	58%	0.583	16%	0.16	S	C	*	.			trans	-61.5	84.1	157	-166.2	2.2	0	0	0	106.1	Q500 N539	Q500-D537 VanDerWaalsContact NE2-CG 3.3Å; Q500-D537 PolarHBondContact NE2-OD1 2.92Å; Q500-D537 PolarHBondContact NE2-OD2 3.21Å; D537-N539 PolarHBondContact O-N 3.31Å
538	L	62.2	Low	69.8	Low	21 Å²	21	26.4 Å²	26.4	11%	0.11	14%	0.14	C	C	.	.			trans	-68.6	9.7	-173.8	-80.4	176	0	0	0	110.9	N233 L235 M536 G540 Q541 T543	N233-L538 HydrophobicContact CB-CD1 4.01Å; L235-L538 HydrophobicContact CD1-CD2 4.5Å; L235-L538 HydrophobicContact CD2-CD1 4.42Å; L235-L538 HydrophobicContact CD2-CD2 4.17Å; L235-L538 HydrophobicContact CG-CD2 4.29Å; M536-L538 HydrophobicContact CB-CD2 3.77Å; M536-L538 HydrophobicContact CB-CG 3.79Å; M536-L538 HydrophobicContact CE-CD2 4.3Å; M536-L538 WeakPolarHBondContact O-CG 3.35Å; M536-L538 PolarHBondContact O-N 2.88Å; M536-L538 HydrophobicContact SD-CD2 4.35Å; L538-G540 PolarHBondContact O-N 2.74Å; L538-G540 VanDerWaalsContact O-N 3.16Å; L538-Q541 HydrophobicContact CB-CB 4.13Å; L538-Q541 WeakPolarHBondContact O-CB 3.43Å; L538-Q541 WeakPolarHBondContact O-CG 3.01Å; L538-Q541 PolarHBondContact O-N 3.18Å; L538-Q541 PolarHBondContact O-NE2 2.86Å; L538-Q541 VanDerWaalsContact O-NE2 3.1Å; L538-T543 HydrophobicContact CD1-CG2 3.63Å
539	N	65.4	Low	71.2	Confident	63 Å²	63	24.2 Å²	24.2	34%	0.337	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	36.9	-173.3	-60.9	-40.7	0	0	0	111	I503 D537 Q541	I503-N539 WeakPolarHBondContact CD1-O 3.22Å; D537-N539 PolarHBondContact O-N 3.31Å; N539-Q541 VanDerWaalsContact C-N 3.33Å; N539-Q541 PolarHBondContact O-N 3.47Å
540	G	67.9	Low	72.4	Confident	4 Å²	4	22.1 Å²	22.1	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-1.1	-176.7	0	0	0	0	0	116.1	I503 R507 L538	I503-G540 WeakPolarHBondContact CG2-O 3.47Å; R507-G540 PolarHBondContact NH1-O 3.13Å; L538-G540 PolarHBondContact O-N 2.74Å; L538-G540 VanDerWaalsContact O-N 3.16Å
541	Q	76.2	Confident	73.6	Confident	31 Å²	31	21.5 Å²	21.5	15%	0.145	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-53.7	144.7	174.2	-78.4	166.5	86	0	0	111.3	L235 A358 R507 L538 N539	L235-Q541 VanDerWaalsContact CD1-OE1 3.25Å; L235-Q541 HydrophobicContact CD2-CB 3.83Å; A358-Q541 HydrophobicContact CB-CG 4.3Å; R507-Q541 PolarHBondContact NH1-O 3.26Å; L538-Q541 HydrophobicContact CB-CB 4.13Å; L538-Q541 WeakPolarHBondContact O-CB 3.43Å; L538-Q541 WeakPolarHBondContact O-CG 3.01Å; L538-Q541 PolarHBondContact O-N 3.18Å; L538-Q541 PolarHBondContact O-NE2 2.86Å; L538-Q541 VanDerWaalsContact O-NE2 3.1Å; N539-Q541 VanDerWaalsContact C-N 3.33Å; N539-Q541 PolarHBondContact O-N 3.47Å
542	T	80	Confident	74.7	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-83.7	128.2	-178.9	-49.5	0	0	0	0	109.4	L235 W362 F512 E546 L547	L235-T542 WeakPolarHBondContact CD2-O 3.46Å; W362-T542 WeakPolarHBondContact CZ2-OG1 3.32Å; W362-T542 VanDerWaalsContact NE1-CB 3.34Å; W362-T542 PolarHBondContact NE1-OG1 2.53Å; F512-T542 HydrophobicContact CD1-CG2 3.97Å; F512-T542 HydrophobicContact CE1-CG2 3.4Å; F512-T542 HydrophobicContact CZ-CG2 4.1Å; T542-E546 HydrophobicContact CG2-CB 3.87Å; T542-L547 HydrophobicContact CG2-CB 4.03Å
543	T	82.6	Confident	75.7	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-71.6	158.8	175	62.5	0	0	0	0	110.9	N233 L538 W545 E546 L547	N233-T543 HydrophobicContact CB-CG2 3.53Å; L538-T543 HydrophobicContact CD1-CG2 3.63Å; T543-W545 VanDerWaalsContact C-N 3.33Å; T543-W545 PolarHBondContact O-N 3.29Å; T543-W545 PolarHBondContact OG1-NE1 3.36Å; T543-E546 PolarHBondContact N-OE2 3.27Å; T543-E546 PolarHBondContact O-N 2.73Å; T543-E546 WeakPolarHBondContact OG1-CB 3.3Å; T543-E546 WeakPolarHBondContact OG1-CG 3.26Å; T543-E546 PolarHBondContact OG1-OE2 2.77Å; T543-L547 WeakPolarHBondContact O-CB 3.36Å; T543-L547 PolarHBondContact O-N 3.3Å
544	N	84.8	Confident	76.9	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-40.1	-175.2	-166.3	59.4	0	0	0	112.4	S193 S194 L234 N238 L547 N548	S193-N544 WeakPolarHBondContact CB-OD1 3.4Å; S194-N544 PolarHBondContact O-ND2 3.36Å; L234-N544 PolarHBondContact O-N 3.26Å; N238-N544 PolarHBondContact ND2-ND2 3.07Å; N238-N544 VanDerWaalsContact OD1-C 3.29Å; N238-N544 WeakPolarHBondContact OD1-CB 3.22Å; N238-N544 PolarHBondContact OD1-ND2 3.49Å; N544-L547 PolarHBondContact O-N 2.84Å; N544-N548 PolarHBondContact ND2-ND2 2.85Å; N544-N548 WeakPolarHBondContact O-CB 3.49Å; N544-N548 VanDerWaalsContact O-CG 3.23Å; N544-N548 PolarHBondContact O-N 2.91Å; N544-N548 PolarHBondContact O-ND2 2.9Å
545	W	85.2	Confident	78.5	Confident	3 Å²	3	21 Å²	21	1%	0.011	11%	0.107	C	C	.	.	H	α-helix	trans	-72.4	-35.1	-179.1	69.4	-95.5	0	0	0	111.7	Y197 N238 L272 I515 T543 L547 N548 L549	Y197-W545 HydrophobicContact CE1-CB 4.16Å; N238-W545 HydrophobicContact CB-CB 4.36Å; N238-W545 WeakPolarHBondContact OD1-CA 3.32Å; N238-W545 WeakPolarHBondContact OD1-CB 3.14Å; N238-W545 PolarHBondContact OD1-N 3.31Å; L272-W545 HydrophobicContact CD2-CB 4.38Å; L272-W545 HydrophobicContact CD2-CD2 3.96Å; L272-W545 HydrophobicContact CD2-CE3 3.87Å; L272-W545 HydrophobicContact CD2-CG 4.2Å; L272-W545 HydrophobicContact CD2-CZ3 4.4Å; I515-W545 HydrophobicContact CB-CH2 4.36Å; I515-W545 HydrophobicContact CD1-CH2 3.17Å; I515-W545 HydrophobicContact CD1-CZ2 3.94Å; I515-W545 HydrophobicContact CD1-CZ3 3.64Å; I515-W545 HydrophobicContact CG1-CH2 3.71Å; I515-W545 HydrophobicContact CG1-CZ3 4.37Å; I515-W545 HydrophobicContact CG2-CH2 4.16Å; T543-W545 VanDerWaalsContact C-N 3.33Å; T543-W545 PolarHBondContact O-N 3.29Å; T543-W545 PolarHBondContact OG1-NE1 3.36Å; W545-L547 VanDerWaalsContact C-N 3.32Å; W545-N548 PolarHBondContact O-N 3.2Å; W545-L549 WeakPolarHBondContact O-CB 3.21Å; W545-L549 PolarHBondContact O-N 3.2Å
546	E	85.6	Confident	80.7	Confident	14 Å²	14	18.6 Å²	18.6	7%	0.065	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-42.1	171.5	-76.8	173.1	138.6	0	0	111.2	R507 I515 T542 T543 L549 W550	R507-E546 IonicContact CZ-OE2 2.71Å; R507-E546 IonicContact NH2-OE1 3.5Å; R507-E546 PolarHBondContact NH2-OE1 3.04Å; R507-E546 IonicContact NH2-OE2 2.91Å; R507-E546 PolarHBondContact NH2-OE2 2.73Å; R507-E546 VanDerWaalsContact NH2-OE2 3.08Å; I515-E546 HydrophobicContact CD1-CG 3.48Å; I515-E546 VanDerWaalsContact CD1-CG 3.48Å; I515-E546 WeakPolarHBondContact CD1-OE1 3.49Å; T542-E546 HydrophobicContact CG2-CB 3.87Å; T543-E546 PolarHBondContact N-OE2 3.27Å; T543-E546 PolarHBondContact O-N 2.73Å; T543-E546 WeakPolarHBondContact OG1-CB 3.3Å; T543-E546 WeakPolarHBondContact OG1-CG 3.26Å; T543-E546 PolarHBondContact OG1-OE2 2.77Å; E546-L549 PolarHBondContact O-N 2.97Å; E546-W550 WeakPolarHBondContact O-CB 2.93Å; E546-W550 PolarHBondContact O-N 3.07Å
547	L	88	Confident	82.4	Confident	4 Å²	4	16.1 Å²	16.1	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-67.1	-42.4	178	-175	60.8	0	0	0	111.4	W362 F512 T542 T543 N544 W545 W550 F551	W362-L547 HydrophobicContact CD2-CD1 4.4Å; W362-L547 HydrophobicContact CG-CD1 3.98Å; F512-L547 HydrophobicContact CE1-CD1 4.4Å; F512-L547 HydrophobicContact CZ-CD1 4.09Å; T542-L547 HydrophobicContact CG2-CB 4.03Å; T543-L547 WeakPolarHBondContact O-CB 3.36Å; T543-L547 PolarHBondContact O-N 3.3Å; N544-L547 PolarHBondContact O-N 2.84Å; W545-L547 VanDerWaalsContact C-N 3.32Å; L547-W550 WeakPolarHBondContact O-CB 3.07Å; L547-W550 PolarHBondContact O-N 2.95Å; L547-F551 HydrophobicContact CD1-CD2 4.35Å; L547-F551 HydrophobicContact CD1-CE2 3.84Å; L547-F551 HydrophobicContact CD1-CZ 3.9Å; L547-F551 HydrophobicContact CD2-CE2 3.82Å; L547-F551 HydrophobicContact CD2-CZ 4.28Å; L547-F551 HydrophobicContact CG-CD2 3.94Å; L547-F551 HydrophobicContact CG-CE2 3.45Å; L547-F551 VanDerWaalsContact CG-CE2 3.45Å; L547-F551 HydrophobicContact CG-CZ 4.02Å; L547-F551 WeakPolarHBondContact O-CD2 3.39Å; L547-F551 PolarHBondContact O-N 3.12Å
548	N	88.4	Confident	84.1	Confident	1 Å²	1	11 Å²	11	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-61.4	-43.4	174.6	-75.3	-20.9	0	0	0	112.2	S194 N238 N544 W545 W550 F551 L552 C621 L623	S194-N548 PolarHBondContact O-ND2 2.81Å; N238-N548 PolarHBondContact ND2-ND2 2.91Å; N238-N548 PolarHBondContact OD1-ND2 2.92Å; N544-N548 PolarHBondContact ND2-ND2 2.85Å; N544-N548 WeakPolarHBondContact O-CB 3.49Å; N544-N548 VanDerWaalsContact O-CG 3.23Å; N544-N548 PolarHBondContact O-N 2.91Å; N544-N548 PolarHBondContact O-ND2 2.9Å; W545-N548 PolarHBondContact O-N 3.2Å; N548-W550 VanDerWaalsContact C-N 3.32Å; N548-W550 PolarHBondContact O-N 2.72Å; N548-F551 PolarHBondContact O-N 2.94Å; N548-L552 WeakPolarHBondContact O-CB 3.3Å; N548-L552 PolarHBondContact O-N 3.35Å; N548-C621 PolarHBondContact OD1-SG 2.67Å; N548-C621 VanDerWaalsContact OD1-SG 3.4Å; N548-L623 HydrophobicContact CB-CD1 3.64Å
549	L	87.5	Confident	85.6	Confident	7 Å²	7	10 Å²	10	4%	0.037	5%	0.049	C	C	.	.	H	α-helix	trans	-60.7	-42.7	173.6	174.9	59.6	0	0	0	111.4	L272 I273 Q274 P513 W545 E546 L552 R553	L272-L549 WeakPolarHBondContact O-CD2 3.38Å; I273-L549 WeakPolarHBondContact O-CD1 3.29Å; Q274-L549 HydrophobicContact CG-CD2 4.31Å; P513-L549 HydrophobicContact CG-CD2 3.63Å; W545-L549 WeakPolarHBondContact O-CB 3.21Å; W545-L549 PolarHBondContact O-N 3.2Å; E546-L549 PolarHBondContact O-N 2.97Å; L549-L552 PolarHBondContact O-N 3.29Å; L549-R553 VanDerWaalsContact O-CB 3.32Å; L549-R553 WeakPolarHBondContact O-CB 3.33Å; L549-R553 PolarHBondContact O-N 3.38Å
550	W	89.1	Confident	86.7	Confident	1 Å²	1	8.5 Å²	8.5	0%	0.004	4%	0.042	C	C	.	.	H	α-helix	trans	-63.3	-48	176.8	-175.2	92.2	0	0	0	111.8	Y313 V366 L510 F512 E546 L547 N548 L552 R553 R554 F627	Y313-W550 HydrophobicContact CE2-CH2 4.46Å; Y313-W550 HydrophobicContact CE2-CZ2 4.42Å; V366-W550 HydrophobicContact CG2-CH2 3.7Å; V366-W550 HydrophobicContact CG2-CZ3 3.63Å; L510-W550 PolarHBondContact O-NE1 3.3Å; F512-W550 HydrophobicContact CD1-CB 3.98Å; F512-W550 AromaticContact CD1-CD1 3.97Å; F512-W550 HydrophobicContact CD1-CG 4.17Å; F512-W550 AromaticContact CD2-CD1 3.41Å; F512-W550 VanDerWaalsContact CD2-CD1 3.41Å; F512-W550 HydrophobicContact CD2-CG 4.12Å; F512-W550 AromaticContact CD2-NE1 3.65Å; F512-W550 HydrophobicContact CE1-CB 3.42Å; F512-W550 VanDerWaalsContact CE1-CB 3.42Å; F512-W550 AromaticContact CE1-CD1 3.84Å; F512-W550 AromaticContact CE1-CG 3.65Å; F512-W550 HydrophobicContact CE1-CG 3.65Å; F512-W550 HydrophobicContact CE2-CB 4.29Å; F512-W550 AromaticContact CE2-CD1 3.24Å; F512-W550 AromaticContact CE2-CD2 3.91Å; F512-W550 HydrophobicContact CE2-CD2 3.91Å; F512-W550 AromaticContact CE2-CE2 3.79Å; F512-W550 AromaticContact CE2-CG 3.57Å; F512-W550 HydrophobicContact CE2-CG 3.57Å; F512-W550 AromaticContact CE2-NE1 3.35Å; F512-W550 VanDerWaalsContact CE2-NE1 3.35Å; F512-W550 AromaticContact CG-CD1 3.77Å; F512-W550 HydrophobicContact CG-CG 4.39Å; F512-W550 HydrophobicContact CZ-CB 3.61Å; F512-W550 AromaticContact CZ-CD1 3.48Å; F512-W550 VanDerWaalsContact CZ-CD1 3.48Å; F512-W550 AromaticContact CZ-CD2 3.77Å; F512-W550 HydrophobicContact CZ-CD2 3.77Å; F512-W550 AromaticContact CZ-CG 3.32Å; F512-W550 HydrophobicContact CZ-CG 3.32Å; F512-W550 AromaticContact CZ-NE1 3.95Å; E546-W550 WeakPolarHBondContact O-CB 2.93Å; E546-W550 PolarHBondContact O-N 3.07Å; L547-W550 WeakPolarHBondContact O-CB 3.07Å; L547-W550 PolarHBondContact O-N 2.95Å; N548-W550 VanDerWaalsContact C-N 3.32Å; N548-W550 PolarHBondContact O-N 2.72Å; W550-L552 VanDerWaalsContact C-N 3.33Å; W550-L552 PolarHBondContact O-N 2.9Å; W550-R553 PolarHBondContact O-N 3.05Å; W550-R554 HydrophobicContact CD2-CG 3.75Å; W550-R554 VanDerWaalsContact CE2-CG 3.49Å; W550-R554 HydrophobicContact CE3-CG 4.04Å; W550-R554 HydrophobicContact CG-CG 4.38Å; W550-R554 HydrophobicContact CH2-CB 4.48Å; W550-R554 HydrophobicContact CH2-CG 3.85Å; W550-R554 HydrophobicContact CZ2-CG 3.58Å; W550-R554 HydrophobicContact CZ3-CB 4.42Å; W550-R554 HydrophobicContact CZ3-CG 4.06Å; W550-R554 WeakPolarHBondContact O-CB 3.39Å; W550-R554 WeakPolarHBondContact O-CG 3.28Å; W550-R554 PolarHBondContact O-N 3.21Å; W550-F627 HydrophobicContact CH2-CE2 4.39Å; W550-F627 HydrophobicContact CH2-CZ 4.09Å; W550-F627 HydrophobicContact CZ3-CE1 4.34Å; W550-F627 HydrophobicContact CZ3-CE2 4.3Å; W550-F627 HydrophobicContact CZ3-CZ 4.14Å
551	F	91.5	Very high	87.6	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.9	-48.1	175.6	-75.8	-47.3	0	0	0	111	F365 V366 L547 N548 R553 R554 T555 L623 F627	F365-F551 HydrophobicContact CB-CE1 3.8Å; F365-F551 HydrophobicContact CB-CZ 3.76Å; F365-F551 HydrophobicContact CD2-CE2 4.2Å; F365-F551 AromaticContact CD2-CZ 3.76Å; F365-F551 HydrophobicContact CD2-CZ 3.76Å; F365-F551 HydrophobicContact CG-CE1 4.42Å; F365-F551 HydrophobicContact CG-CZ 4.06Å; V366-F551 HydrophobicContact CG2-CE1 4.05Å; L547-F551 HydrophobicContact CD1-CD2 4.35Å; L547-F551 HydrophobicContact CD1-CE2 3.84Å; L547-F551 HydrophobicContact CD1-CZ 3.9Å; L547-F551 HydrophobicContact CD2-CE2 3.82Å; L547-F551 HydrophobicContact CD2-CZ 4.28Å; L547-F551 HydrophobicContact CG-CD2 3.94Å; L547-F551 HydrophobicContact CG-CE2 3.45Å; L547-F551 VanDerWaalsContact CG-CE2 3.45Å; L547-F551 HydrophobicContact CG-CZ 4.02Å; L547-F551 WeakPolarHBondContact O-CD2 3.39Å; L547-F551 PolarHBondContact O-N 3.12Å; N548-F551 PolarHBondContact O-N 2.94Å; F551-R553 VanDerWaalsContact C-N 3.35Å; F551-R553 PolarHBondContact O-N 2.88Å; F551-R554 PolarHBondContact O-N 3.37Å; F551-T555 VanDerWaalsContact O-CB 3.31Å; F551-T555 WeakPolarHBondContact O-CB 3.45Å; F551-T555 PolarHBondContact O-N 3.02Å; F551-T555 PolarHBondContact O-OG1 3.21Å; F551-L623 HydrophobicContact CB-CB 4.14Å; F551-F627 HydrophobicContact CB-CB 4.36Å; F551-F627 HydrophobicContact CD1-CB 3.76Å; F551-F627 AromaticContact CD1-CD1 3.86Å; F551-F627 HydrophobicContact CD1-CD1 3.86Å; F551-F627 HydrophobicContact CD1-CD2 4.48Å; F551-F627 AromaticContact CD1-CG 3.76Å; F551-F627 HydrophobicContact CD1-CG 3.76Å; F551-F627 AromaticContact CE1-CD1 3.93Å; F551-F627 HydrophobicContact CE1-CD1 3.93Å; F551-F627 HydrophobicContact CE1-CG 4.31Å; F551-F627 HydrophobicContact CG-CB 4.38Å
552	L	91	Very high	88.4	Confident	7 Å²	7	9.1 Å²	9.1	4%	0.037	4%	0.044	C	C	.	.	H	α-helix	trans	-58.8	-47.8	179.6	-171	62.9	0	0	0	111.8	I82 I273 L278 N548 L549 W550 T555 I556 L603 L623	I82-L552 HydrophobicContact CD1-CD1 3.93Å; I82-L552 HydrophobicContact CD1-CG 4.46Å; I82-L552 HydrophobicContact CG1-CD1 4.49Å; I82-L552 HydrophobicContact CG2-CD1 3.81Å; I82-L552 HydrophobicContact CG2-CD2 4.42Å; I273-L552 HydrophobicContact CG2-CD2 3.75Å; L278-L552 HydrophobicContact CD1-CD2 3.52Å; L278-L552 HydrophobicContact CD1-CG 4.07Å; N548-L552 WeakPolarHBondContact O-CB 3.3Å; N548-L552 PolarHBondContact O-N 3.35Å; L549-L552 PolarHBondContact O-N 3.29Å; W550-L552 VanDerWaalsContact C-N 3.33Å; W550-L552 PolarHBondContact O-N 2.9Å; L552-T555 PolarHBondContact O-N 2.84Å; L552-I556 HydrophobicContact CG-CD1 4.19Å; L552-I556 WeakPolarHBondContact O-CD1 3.01Å; L552-I556 WeakPolarHBondContact O-CG1 3.11Å; L552-I556 PolarHBondContact O-N 3.16Å; L552-L603 HydrophobicContact CD1-CD2 3.87Å; L552-L623 HydrophobicContact CB-CD2 4.23Å; L552-L623 HydrophobicContact CD1-CD2 3.79Å
553	R	89.2	Confident	88.9	Confident	36 Å²	36	10.9 Å²	10.9	14%	0.136	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-50.2	177.5	175	174	177.4	178.9	5.3	111.6	L278 L281 G511 L549 W550 F551 I556 E557	L278-R553 HydrophobicContact CD2-CB 4.23Å; L281-R553 HydrophobicContact CD1-CG 3.64Å; G511-R553 PolarHBondContact O-NH1 2.85Å; G511-R553 VanDerWaalsContact O-NH1 3.12Å; L549-R553 VanDerWaalsContact O-CB 3.32Å; L549-R553 WeakPolarHBondContact O-CB 3.33Å; L549-R553 PolarHBondContact O-N 3.38Å; W550-R553 PolarHBondContact O-N 3.05Å; F551-R553 VanDerWaalsContact C-N 3.35Å; F551-R553 PolarHBondContact O-N 2.88Å; R553-I556 PolarHBondContact O-N 3.44Å; R553-E557 IonicContact CZ-OE1 3.08Å; R553-E557 IonicContact NE-OE1 3.92Å; R553-E557 PolarHBondContact NE-OE1 3.13Å; R553-E557 IonicContact NH2-OE1 2.85Å; R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 3.23Å
554	R	89.1	Confident	89.2	Confident	3 Å²	3	16.9 Å²	16.9	1%	0.011	7%	0.074	C	C	.	.	H	α-helix	trans	-68.6	-35.1	-177.7	-67.1	-45.4	-163.2	150.6	13.8	112.4	L307 V309 L510 W550 F551 E557 C558 F627	L307-R554 PolarHBondContact O-NH1 2.91Å; L307-R554 VanDerWaalsContact O-NH1 3.09Å; L307-R554 PolarHBondContact O-NH2 3.08Å; V309-R554 HydrophobicContact CG1-CB 3.98Å; V309-R554 HydrophobicContact CG1-CG 4.37Å; L510-R554 PolarHBondContact O-NE 3.29Å; L510-R554 PolarHBondContact O-NH2 3.41Å; W550-R554 HydrophobicContact CD2-CG 3.75Å; W550-R554 VanDerWaalsContact CE2-CG 3.49Å; W550-R554 HydrophobicContact CE3-CG 4.04Å; W550-R554 HydrophobicContact CG-CG 4.38Å; W550-R554 HydrophobicContact CH2-CB 4.48Å; W550-R554 HydrophobicContact CH2-CG 3.85Å; W550-R554 HydrophobicContact CZ2-CG 3.58Å; W550-R554 HydrophobicContact CZ3-CB 4.42Å; W550-R554 HydrophobicContact CZ3-CG 4.06Å; W550-R554 WeakPolarHBondContact O-CB 3.39Å; W550-R554 WeakPolarHBondContact O-CG 3.28Å; W550-R554 PolarHBondContact O-N 3.21Å; F551-R554 PolarHBondContact O-N 3.37Å; R554-E557 WeakPolarHBondContact CD-OE2 3.12Å; R554-E557 IonicContact CZ-OE2 3.26Å; R554-E557 IonicContact NE-OE2 2.73Å; R554-E557 IonicContact NH1-OE2 2.99Å; R554-E557 PolarHBondContact NH1-OE2 2.99Å; R554-E557 PolarHBondContact O-N 3.33Å; R554-C558 WeakPolarHBondContact O-CB 3.32Å; R554-C558 PolarHBondContact O-N 2.73Å; R554-C558 PolarHBondContact O-SG 3.06Å; R554-F627 HydrophobicContact CB-CD2 3.86Å; R554-F627 HydrophobicContact CB-CE2 3.66Å
555	T	93	Very high	89.5	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.5	-49.7	170.5	-63.1	0	0	0	0	110.6	F551 L552 E557 C558 L559 L603 T626 F627 A630	F551-T555 VanDerWaalsContact O-CB 3.31Å; F551-T555 WeakPolarHBondContact O-CB 3.45Å; F551-T555 PolarHBondContact O-N 3.02Å; F551-T555 PolarHBondContact O-OG1 3.21Å; L552-T555 PolarHBondContact O-N 2.84Å; T555-E557 PolarHBondContact O-N 2.8Å; T555-C558 PolarHBondContact O-N 2.84Å; T555-L559 HydrophobicContact CG2-CD1 4.06Å; T555-L559 HydrophobicContact CG2-CG 4.33Å; T555-L559 WeakPolarHBondContact O-CB 3.21Å; T555-L559 VanDerWaalsContact O-CG 3.25Å; T555-L559 WeakPolarHBondContact O-CG 3.36Å; T555-L559 PolarHBondContact O-N 3.09Å; T555-L603 HydrophobicContact CG2-CD1 3.96Å; T555-L603 HydrophobicContact CG2-CD2 4.28Å; T555-L603 HydrophobicContact CG2-CG 4.36Å; T555-T626 HydrophobicContact CG2-CG2 3.91Å; T555-F627 VanDerWaalsContact OG1-CA 3.23Å; T555-F627 WeakPolarHBondContact OG1-CA 2.85Å; T555-F627 WeakPolarHBondContact OG1-CB 3.33Å; T555-A630 HydrophobicContact CG2-CB 3.78Å
556	I	90.8	Very high	89.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-43	179.2	-67.9	157.2	0	0	0	111.4	I80 I82 I126 L278 L281 V282 L552 R553 L559 T560	I80-I556 HydrophobicContact CD1-CG2 4.48Å; I82-I556 HydrophobicContact CD1-CD1 3.76Å; I82-I556 HydrophobicContact CD1-CG1 4.22Å; I126-I556 HydrophobicContact CD1-CD1 3.76Å; I126-I556 HydrophobicContact CD1-CG1 4.34Å; I126-I556 HydrophobicContact CD1-CG2 4.17Å; L278-I556 HydrophobicContact CB-CD1 4.02Å; L278-I556 HydrophobicContact CD1-CD1 4.01Å; L278-I556 HydrophobicContact CD2-CD1 3.76Å; L278-I556 HydrophobicContact CG-CD1 4.14Å; L281-I556 HydrophobicContact CB-CG2 4.5Å; V282-I556 HydrophobicContact CG2-CG2 3.55Å; L552-I556 HydrophobicContact CG-CD1 4.19Å; L552-I556 WeakPolarHBondContact O-CD1 3.01Å; L552-I556 WeakPolarHBondContact O-CG1 3.11Å; L552-I556 PolarHBondContact O-N 3.16Å; R553-I556 PolarHBondContact O-N 3.44Å; I556-L559 PolarHBondContact O-N 3.46Å; I556-T560 WeakPolarHBondContact O-CB 3.26Å; I556-T560 PolarHBondContact O-N 3.05Å; I556-T560 PolarHBondContact O-OG1 3.36Å
557	E	88.1	Confident	90.1	Very high	32 Å²	32	20.4 Å²	20.4	15%	0.15	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-47.3	175.4	-72.1	173.4	-174.3	0	0	110.9	L281 V309 R553 R554 T555 T560 E561	L281-E557 HydrophobicContact CD1-CG 4.32Å; L281-E557 HydrophobicContact CD2-CG 4.35Å; V309-E557 HydrophobicContact CG2-CB 4.24Å; R553-E557 IonicContact CZ-OE1 3.08Å; R553-E557 IonicContact NE-OE1 3.92Å; R553-E557 PolarHBondContact NE-OE1 3.13Å; R553-E557 IonicContact NH2-OE1 2.85Å; R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 3.23Å; R554-E557 WeakPolarHBondContact CD-OE2 3.12Å; R554-E557 IonicContact CZ-OE2 3.26Å; R554-E557 IonicContact NE-OE2 2.73Å; R554-E557 IonicContact NH1-OE2 2.99Å; R554-E557 PolarHBondContact NH1-OE2 2.99Å; R554-E557 PolarHBondContact O-N 3.33Å; T555-E557 PolarHBondContact O-N 2.8Å; E557-T560 PolarHBondContact O-N 3.18Å; E557-E561 PolarHBondContact O-N 2.64Å
558	C	90.8	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-50.7	175.4	-77.6	0	0	0	0	112.3	V309 R554 T555 T560 E561 T562 A630 L634	V309-C558 WeakPolarHBondContact CG1-SG 3.17Å; R554-C558 WeakPolarHBondContact O-CB 3.32Å; R554-C558 PolarHBondContact O-N 2.73Å; R554-C558 PolarHBondContact O-SG 3.06Å; T555-C558 PolarHBondContact O-N 2.84Å; C558-T560 VanDerWaalsContact C-N 3.28Å; C558-T560 PolarHBondContact O-N 2.85Å; C558-E561 PolarHBondContact O-N 3.05Å; C558-T562 WeakPolarHBondContact O-CB 3.22Å; C558-T562 PolarHBondContact O-N 3.42Å; C558-T562 PolarHBondContact O-OG1 2.84Å; C558-A630 HydrophobicContact CB-CB 3.93Å; C558-L634 HydrophobicContact CB-CB 4.38Å; C558-L634 HydrophobicContact CB-CD2 4.35Å
559	L	92.8	Very high	90.3	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-39.2	-178.7	-69.8	-176.9	0	0	0	112.3	I80 T555 I556 K563 W596 A599 L600 L603 A630	I80-L559 HydrophobicContact CD1-CB 4.42Å; T555-L559 HydrophobicContact CG2-CD1 4.06Å; T555-L559 HydrophobicContact CG2-CG 4.33Å; T555-L559 WeakPolarHBondContact O-CB 3.21Å; T555-L559 VanDerWaalsContact O-CG 3.25Å; T555-L559 WeakPolarHBondContact O-CG 3.36Å; T555-L559 PolarHBondContact O-N 3.09Å; I556-L559 PolarHBondContact O-N 3.46Å; L559-K563 WeakPolarHBondContact O-CB 3.48Å; L559-K563 PolarHBondContact O-N 3.07Å; L559-W596 VanDerWaalsContact CD2-CD1 3.43Å; L559-W596 HydrophobicContact CD2-CG 4.35Å; L559-A599 HydrophobicContact CD2-CB 3.93Å; L559-L600 HydrophobicContact CD1-CD2 3.92Å; L559-L603 HydrophobicContact CD1-CD1 3.73Å; L559-A630 HydrophobicContact CD2-CB 3.88Å; L559-A630 HydrophobicContact CG-CB 4.05Å
560	T	89	Confident	90.4	Very high	31 Å²	31	23.6 Å²	23.6	19%	0.19	11%	0.111	C	C	.	.	H	α-helix	trans	-68.4	-43.2	178.9	-52.3	0	0	0	0	111	I556 E557 C558 R564	I556-T560 WeakPolarHBondContact O-CB 3.26Å; I556-T560 PolarHBondContact O-N 3.05Å; I556-T560 PolarHBondContact O-OG1 3.36Å; E557-T560 PolarHBondContact O-N 3.18Å; C558-T560 VanDerWaalsContact C-N 3.28Å; C558-T560 PolarHBondContact O-N 2.85Å; T560-R564 PolarHBondContact O-N 2.78Å; T560-R564 VanDerWaalsContact O-N 3.15Å
561	E	87.6	Confident	90.3	Very high	47 Å²	47	27 Å²	27	22%	0.22	13%	0.129	C	C	.	.	H	α-helix	trans	-68.2	-40.9	175.3	-70.7	-60.6	153.5	0	0	111.9	E557 C558 K563 R564 T565 L634	E557-E561 PolarHBondContact O-N 2.64Å; C558-E561 PolarHBondContact O-N 3.05Å; E561-K563 VanDerWaalsContact C-N 3.35Å; E561-K563 PolarHBondContact O-N 2.76Å; E561-R564 WeakPolarHBondContact O-CB 3.38Å; E561-R564 PolarHBondContact O-N 3.33Å; E561-R564 VanDerWaalsContact O-N 3.13Å; E561-R564 IonicContact OE2-CZ 3.7Å; E561-R564 IonicContact OE2-NE 3.28Å; E561-R564 PolarHBondContact OE2-NE 3.39Å; E561-R564 IonicContact OE2-NH2 3.64Å; E561-R564 PolarHBondContact OE2-NH2 3.28Å; E561-T565 VanDerWaalsContact O-CG2 3.27Å; E561-T565 WeakPolarHBondContact O-CG2 3.44Å; E561-T565 PolarHBondContact O-N 3.26Å; E561-T565 PolarHBondContact O-OG1 3.35Å; E561-L634 HydrophobicContact CB-CD1 3.74Å
562	T	91.7	Very high	90.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58	-45.2	174.6	-62.6	0	0	0	0	111.7	C558 R564 T565 I566 W596 A633 L634	C558-T562 WeakPolarHBondContact O-CB 3.22Å; C558-T562 PolarHBondContact O-N 3.42Å; C558-T562 PolarHBondContact O-OG1 2.84Å; T562-R564 VanDerWaalsContact C-N 3.32Å; T562-R564 PolarHBondContact O-N 2.69Å; T562-T565 WeakPolarHBondContact CA-OG1 3.23Å; T562-T565 PolarHBondContact O-N 3.33Å; T562-T565 PolarHBondContact O-OG1 2.91Å; T562-I566 HydrophobicContact CG2-CD1 3.7Å; T562-I566 HydrophobicContact CG2-CG1 4.35Å; T562-I566 WeakPolarHBondContact O-CB 3.28Å; T562-I566 VanDerWaalsContact O-CG1 3.3Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.49Å; T562-W596 HydrophobicContact CG2-CD2 4.23Å; T562-W596 HydrophobicContact CG2-CE3 4.14Å; T562-W596 HydrophobicContact CG2-CG 4.41Å; T562-A633 HydrophobicContact CG2-CB 4.19Å; T562-L634 VanDerWaalsContact OG1-CA 3.22Å; T562-L634 WeakPolarHBondContact OG1-CA 3.45Å; T562-L634 PolarHBondContact OG1-N 3.06Å
563	K	92.1	Very high	89.8	Confident	38 Å²	38	30 Å²	30	17%	0.165	15%	0.145	C	C	.	.	H	α-helix	trans	-55.4	-50.3	174.1	176.2	176.2	175.2	171.9	0	110.4	S76 D124 L559 E561 E567 W596	S76-K563 PolarHBondContact O-NZ 3.1Å; S76-K563 VanDerWaalsContact O-NZ 3.12Å; S76-K563 WeakPolarHBondContact OG-CE 3.4Å; D124-K563 IonicContact OD1-NZ 3.76Å; D124-K563 IonicContact OD2-NZ 3.77Å; D124-K563 PolarHBondContact OD2-NZ 2.84Å; L559-K563 WeakPolarHBondContact O-CB 3.48Å; L559-K563 PolarHBondContact O-N 3.07Å; E561-K563 VanDerWaalsContact C-N 3.35Å; E561-K563 PolarHBondContact O-N 2.76Å; K563-E567 WeakPolarHBondContact CE-OE1 3.43Å; K563-E567 WeakPolarHBondContact O-CB 3.3Å; K563-E567 VanDerWaalsContact O-CG 3.29Å; K563-E567 WeakPolarHBondContact O-CG 3.42Å; K563-E567 PolarHBondContact O-N 3.19Å; K563-W596 HydrophobicContact CB-CH2 3.7Å; K563-W596 HydrophobicContact CB-CZ2 3.72Å; K563-W596 HydrophobicContact CG-CH2 3.9Å; K563-W596 HydrophobicContact CG-CZ2 4.14Å
564	R	88.5	Confident	89.6	Confident	128 Å²	128	34.8 Å²	34.8	48%	0.483	17%	0.169	S	C	.	.	H	α-helix	trans	-64.2	-42.9	-177.6	-168.1	-177.2	72.7	79.8	0.3	112.8	T560 E561 T562 S568	T560-R564 PolarHBondContact O-N 2.78Å; T560-R564 VanDerWaalsContact O-N 3.15Å; E561-R564 WeakPolarHBondContact O-CB 3.38Å; E561-R564 PolarHBondContact O-N 3.33Å; E561-R564 VanDerWaalsContact O-N 3.13Å; E561-R564 IonicContact OE2-CZ 3.7Å; E561-R564 IonicContact OE2-NE 3.28Å; E561-R564 PolarHBondContact OE2-NE 3.39Å; E561-R564 IonicContact OE2-NH2 3.64Å; E561-R564 PolarHBondContact OE2-NH2 3.28Å; T562-R564 VanDerWaalsContact C-N 3.32Å; T562-R564 PolarHBondContact O-N 2.69Å; R564-S568 VanDerWaalsContact O-CB 3.27Å; R564-S568 WeakPolarHBondContact O-CB 3.34Å; R564-S568 PolarHBondContact O-N 2.73Å; R564-S568 PolarHBondContact O-OG 3.43Å
565	T	90.9	Very high	89.4	Confident	10 Å²	10	43.3 Å²	43.3	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-44	-178.9	55	0	0	0	0	110.7	E561 T562 S568 L569 S637 N638	E561-T565 VanDerWaalsContact O-CG2 3.27Å; E561-T565 WeakPolarHBondContact O-CG2 3.44Å; E561-T565 PolarHBondContact O-N 3.26Å; E561-T565 PolarHBondContact O-OG1 3.35Å; T562-T565 WeakPolarHBondContact CA-OG1 3.23Å; T562-T565 PolarHBondContact O-N 3.33Å; T562-T565 PolarHBondContact O-OG1 2.91Å; T565-S568 PolarHBondContact O-N 3.48Å; T565-L569 WeakPolarHBondContact O-CB 3.18Å; T565-L569 PolarHBondContact O-N 3.06Å; T565-S637 WeakPolarHBondContact OG1-CB 3.41Å; T565-S637 PolarHBondContact OG1-OG 3.32Å; T565-N638 WeakPolarHBondContact CG2-OD1 3.2Å
566	I	92.5	Very high	88.8	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-43.7	176.5	-68.6	177.8	0	0	0	111.4	I72 T562 S568 L569 I570 W596	I72-I566 HydrophobicContact CB-CG2 4.27Å; I72-I566 HydrophobicContact CD1-CG2 3.8Å; I72-I566 HydrophobicContact CG1-CG2 3.88Å; I72-I566 HydrophobicContact CG2-CG2 3.36Å; T562-I566 HydrophobicContact CG2-CD1 3.7Å; T562-I566 HydrophobicContact CG2-CG1 4.35Å; T562-I566 WeakPolarHBondContact O-CB 3.28Å; T562-I566 VanDerWaalsContact O-CG1 3.3Å; T562-I566 WeakPolarHBondContact O-CG1 3.45Å; T562-I566 PolarHBondContact O-N 3.49Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.4Å; I566-L569 WeakPolarHBondContact O-CB 3.32Å; I566-L569 PolarHBondContact O-N 3.02Å; I566-I570 HydrophobicContact CG2-CD1 4.49Å; I566-I570 PolarHBondContact O-N 2.8Å; I566-W596 HydrophobicContact CD1-CE3 3.75Å; I566-W596 HydrophobicContact CD1-CZ3 3.9Å
567	E	90.4	Very high	87.9	Confident	79 Å²	79	50.7 Å²	50.7	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-39.6	176	-77.4	176.8	175.8	0	0	111.8	S76 K563 L569 I570 N571	S76-E567 WeakPolarHBondContact CB-OE1 3.17Å; S76-E567 PolarHBondContact OG-OE1 3.04Å; K563-E567 WeakPolarHBondContact CE-OE1 3.43Å; K563-E567 WeakPolarHBondContact O-CB 3.3Å; K563-E567 VanDerWaalsContact O-CG 3.29Å; K563-E567 WeakPolarHBondContact O-CG 3.42Å; K563-E567 PolarHBondContact O-N 3.19Å; E567-L569 VanDerWaalsContact C-N 3.34Å; E567-I570 PolarHBondContact O-N 3.25Å; E567-N571 WeakPolarHBondContact O-CB 3.08Å; E567-N571 PolarHBondContact O-N 3.48Å
568	S	90.8	Very high	87.2	Confident	42 Å²	42	52 Å²	52	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-40.3	174.7	-60.2	0	0	0	0	111.5	R564 T565 I566 N571 L572	R564-S568 VanDerWaalsContact O-CB 3.27Å; R564-S568 WeakPolarHBondContact O-CB 3.34Å; R564-S568 PolarHBondContact O-N 2.73Å; R564-S568 PolarHBondContact O-OG 3.43Å; T565-S568 PolarHBondContact O-N 3.48Å; I566-S568 VanDerWaalsContact C-N 3.3Å; I566-S568 PolarHBondContact O-N 3.4Å; S568-N571 PolarHBondContact O-N 2.89Å; S568-L572 WeakPolarHBondContact O-CB 3.13Å; S568-L572 PolarHBondContact O-N 3.41Å
569	L	90.5	Very high	86.6	Confident	9 Å²	9	52.9 Å²	52.9	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-49.7	174.7	-177.1	60.2	0	0	0	111.2	T565 I566 E567 N571 L572 L573 V589 A640 F641 L646	T565-L569 WeakPolarHBondContact O-CB 3.18Å; T565-L569 PolarHBondContact O-N 3.06Å; I566-L569 WeakPolarHBondContact O-CB 3.32Å; I566-L569 PolarHBondContact O-N 3.02Å; E567-L569 VanDerWaalsContact C-N 3.34Å; L569-N571 VanDerWaalsContact C-N 3.35Å; L569-N571 PolarHBondContact O-N 3.13Å; L569-L572 PolarHBondContact O-N 3.47Å; L569-L573 HydrophobicContact CD1-CD1 4.2Å; L569-L573 HydrophobicContact CG-CD1 3.91Å; L569-L573 WeakPolarHBondContact O-CB 3.33Å; L569-L573 WeakPolarHBondContact O-CD1 3.4Å; L569-L573 VanDerWaalsContact O-CG 3.32Å; L569-L573 WeakPolarHBondContact O-CG 3.09Å; L569-L573 PolarHBondContact O-N 2.92Å; L569-V589 HydrophobicContact CD2-CG2 3.67Å; L569-A640 HydrophobicContact CD2-CB 4.42Å; L569-F641 HydrophobicContact CB-CD2 3.95Å; L569-F641 HydrophobicContact CD1-CD2 4.13Å; L569-L646 HydrophobicContact CD1-CD1 3.69Å
570	I	88.5	Confident	85.9	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.138	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-44.9	178.1	-71.2	-177.4	0	0	0	111.1	Y69 I72 I566 E567 L572 L573 Q574	Y69-I570 HydrophobicContact CD1-CD1 4.15Å; Y69-I570 HydrophobicContact CD1-CG1 4.27Å; Y69-I570 HydrophobicContact CD1-CG2 4.41Å; Y69-I570 HydrophobicContact CE1-CG1 4.26Å; Y69-I570 HydrophobicContact CE1-CG2 4.37Å; I72-I570 HydrophobicContact CB-CD1 3.82Å; I72-I570 HydrophobicContact CD1-CD1 3.73Å; I72-I570 HydrophobicContact CD1-CG1 4.3Å; I72-I570 HydrophobicContact CG1-CD1 4.34Å; I72-I570 HydrophobicContact CG2-CD1 3.32Å; I566-I570 HydrophobicContact CG2-CD1 4.49Å; I566-I570 PolarHBondContact O-N 2.8Å; E567-I570 PolarHBondContact O-N 3.25Å; I570-L572 VanDerWaalsContact C-N 3.3Å; I570-L572 PolarHBondContact O-N 2.91Å; I570-L573 PolarHBondContact O-N 2.93Å; I570-Q574 HydrophobicContact CG2-CG 4.25Å; I570-Q574 WeakPolarHBondContact O-CB 3.22Å; I570-Q574 WeakPolarHBondContact O-CG 3.1Å; I570-Q574 PolarHBondContact O-N 3.13Å
571	N	88.9	Confident	85.7	Confident	72 Å²	72	54.6 Å²	54.6	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-39.4	179.7	-170.1	1.2	0	0	0	111.3	E567 S568 L569 R575	E567-N571 WeakPolarHBondContact O-CB 3.08Å; E567-N571 PolarHBondContact O-N 3.48Å; S568-N571 PolarHBondContact O-N 2.89Å; L569-N571 VanDerWaalsContact C-N 3.35Å; L569-N571 PolarHBondContact O-N 3.13Å; N571-R575 VanDerWaalsContact O-CG 3.28Å; N571-R575 WeakPolarHBondContact O-CG 3.17Å; N571-R575 PolarHBondContact O-N 3.18Å; N571-R575 VanDerWaalsContact O-N 3.17Å; N571-R575 PolarHBondContact OD1-NE 3.21Å
572	L	86.7	Confident	85.7	Confident	59 Å²	59	57 Å²	57	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-46.5	174.5	-171.6	153.9	0	0	0	111.2	S568 L569 I570 Q574 R575 L576 M579	S568-L572 WeakPolarHBondContact O-CB 3.13Å; S568-L572 PolarHBondContact O-N 3.41Å; L569-L572 PolarHBondContact O-N 3.47Å; I570-L572 VanDerWaalsContact C-N 3.3Å; I570-L572 PolarHBondContact O-N 2.91Å; L572-Q574 PolarHBondContact O-N 2.86Å; L572-R575 PolarHBondContact O-N 3.27Å; L572-L576 HydrophobicContact CD2-CD1 4.16Å; L572-L576 HydrophobicContact CG-CD1 4.47Å; L572-L576 PolarHBondContact O-N 3.42Å; L572-M579 HydrophobicContact CD2-CE 3.32Å; L572-M579 HydrophobicContact CD2-SD 3.67Å
573	L	84.4	Confident	85.7	Confident	11 Å²	11	61.5 Å²	61.5	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-40	177.8	-77.1	164.3	0	0	0	113.3	L67 L569 I570 R575 L576 M579 I581	L67-L573 HydrophobicContact CD1-CD1 3.3Å; L67-L573 HydrophobicContact CD1-CD2 4.48Å; L569-L573 HydrophobicContact CD1-CD1 4.2Å; L569-L573 HydrophobicContact CG-CD1 3.91Å; L569-L573 WeakPolarHBondContact O-CB 3.33Å; L569-L573 WeakPolarHBondContact O-CD1 3.4Å; L569-L573 VanDerWaalsContact O-CG 3.32Å; L569-L573 WeakPolarHBondContact O-CG 3.09Å; L569-L573 PolarHBondContact O-N 2.92Å; I570-L573 PolarHBondContact O-N 2.93Å; L573-R575 VanDerWaalsContact C-N 3.31Å; L573-R575 PolarHBondContact O-N 3.03Å; L573-L576 CarbonylContact O-C 3.31Å; L573-L576 VanDerWaalsContact O-C 3.31Å; L573-L576 PolarHBondContact O-N 3.02Å; L573-M579 HydrophobicContact CD2-CE 3.15Å; L573-M579 HydrophobicContact CG-CE 3.71Å; L573-I581 HydrophobicContact CD2-CD1 3.74Å; L573-I581 HydrophobicContact CD2-CG1 3.81Å
574	Q	84.5	Confident	85.6	Confident	137 Å²	137	63.2 Å²	63.2	64%	0.64	31%	0.307	S	S	*	.	H	α-helix	trans	-66.4	-34.2	176.6	-75.1	178.7	-4.8	0	0	112.3	I570 L572	I570-Q574 HydrophobicContact CG2-CG 4.25Å; I570-Q574 WeakPolarHBondContact O-CB 3.22Å; I570-Q574 WeakPolarHBondContact O-CG 3.1Å; I570-Q574 PolarHBondContact O-N 3.13Å; L572-Q574 PolarHBondContact O-N 2.86Å
575	R	84.9	Confident	85.7	Confident	182 Å²	182	57.3 Å²	57.3	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-75.8	-29	177.4	-70.9	173.4	-173.9	-156	-4.4	112.8	N571 L572 L573 P577	N571-R575 VanDerWaalsContact O-CG 3.28Å; N571-R575 WeakPolarHBondContact O-CG 3.17Å; N571-R575 PolarHBondContact O-N 3.18Å; N571-R575 VanDerWaalsContact O-N 3.17Å; N571-R575 PolarHBondContact OD1-NE 3.21Å; L572-R575 PolarHBondContact O-N 3.27Å; L573-R575 VanDerWaalsContact C-N 3.31Å; L573-R575 PolarHBondContact O-N 3.03Å; R575-P577 VanDerWaalsContact C-CD 3.5Å; R575-P577 WeakPolarHBondContact O-CD 3.16Å
576	L	81.4	Confident	85.8	Confident	65 Å²	65	57 Å²	57	34%	0.34	28%	0.284	S	S	.	.			trans	-123.7	69.8	-175.1	-60.8	175.7	0	0	0	110.2	L572 L573 N578 M579 Y651	L572-L576 HydrophobicContact CD2-CD1 4.16Å; L572-L576 HydrophobicContact CG-CD1 4.47Å; L572-L576 PolarHBondContact O-N 3.42Å; L573-L576 CarbonylContact O-C 3.31Å; L573-L576 VanDerWaalsContact O-C 3.31Å; L573-L576 PolarHBondContact O-N 3.02Å; L576-N578 PolarHBondContact O-N 3.22Å; L576-N578 VanDerWaalsContact O-N 3.1Å; L576-M579 HydrophobicContact CB-CB 4.49Å; L576-M579 WeakPolarHBondContact O-CB 3.47Å; L576-M579 PolarHBondContact O-N 3.48Å; L576-Y651 HydrophobicContact CB-CE2 4.08Å; L576-Y651 HydrophobicContact CD2-CE2 3.65Å; L576-Y651 HydrophobicContact CG-CE2 4.33Å
577	P	71.9	Confident	85.8	Confident	91 Å²	91	62.6 Å²	62.6	59%	0.591	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22	-171.1	25.6	-35.2	0	0	0	113.9	R575 M579	R575-P577 VanDerWaalsContact C-CD 3.5Å; R575-P577 WeakPolarHBondContact O-CD 3.16Å; P577-M579 VanDerWaalsContact C-N 3.28Å; P577-M579 PolarHBondContact O-N 3.33Å
578	N	72.2	Confident	86	Confident	59 Å²	59	61.4 Å²	61.4	32%	0.316	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	4.9	178.9	-67.4	-12.5	0	0	0	113.1	L576 I580 D654	L576-N578 PolarHBondContact O-N 3.22Å; L576-N578 VanDerWaalsContact O-N 3.1Å; N578-I580 PolarHBondContact O-N 3.29Å; N578-D654 PolarHBondContact ND2-OD2 3.35Å
579	M	79	Confident	86.1	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.089	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.5	124.5	176.1	-170.6	166.6	67.3	0	0	110.7	H64 L572 L573 L576 P577 I581 L646	H64-M579 PolarHBondContact CE1-O 3.17Å; H64-M579 PolarHBondContact ND1-O 3.42Å; L572-M579 HydrophobicContact CD2-CE 3.32Å; L572-M579 HydrophobicContact CD2-SD 3.67Å; L573-M579 HydrophobicContact CD2-CE 3.15Å; L573-M579 HydrophobicContact CG-CE 3.71Å; L576-M579 HydrophobicContact CB-CB 4.49Å; L576-M579 WeakPolarHBondContact O-CB 3.47Å; L576-M579 PolarHBondContact O-N 3.48Å; P577-M579 VanDerWaalsContact C-N 3.28Å; P577-M579 PolarHBondContact O-N 3.33Å; M579-I581 PolarHBondContact O-N 3.4Å; M579-L646 HydrophobicContact CE-CB 4.38Å; M579-L646 HydrophobicContact CE-CD1 4.44Å; M579-L646 HydrophobicContact CE-CD2 3.72Å; M579-L646 HydrophobicContact CE-CG 4.41Å; M579-L646 HydrophobicContact CG-CD2 4.21Å; M579-L646 HydrophobicContact SD-CB 3.93Å; M579-L646 HydrophobicContact SD-CD2 3.91Å; M579-L646 HydrophobicContact SD-CG 4.46Å
580	I	77.9	Confident	86.4	Confident	58 Å²	58	63.5 Å²	63.5	30%	0.297	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-76	117	179.7	-60.8	175.5	0	0	0	108.8	P62 N578	P62-I580 HydrophobicContact CB-CD1 4.11Å; P62-I580 HydrophobicContact CB-CG1 4.17Å; N578-I580 PolarHBondContact O-N 3.29Å
581	I	85.7	Confident	86.7	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.056	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-98.2	117.1	174.7	-52.4	152.8	0	0	0	107.5	A65 L67 L573 M579 V585 A586	A65-I581 HydrophobicContact CB-CG2 4.29Å; A65-I581 WeakPolarHBondContact CB-O 3.38Å; A65-I581 PolarHBondContact N-O 2.88Å; L67-I581 HydrophobicContact CD1-CD1 3.61Å; L67-I581 HydrophobicContact CD1-CG1 4.43Å; L67-I581 HydrophobicContact CD1-CG2 4.49Å; L67-I581 HydrophobicContact CD2-CG2 4.3Å; L67-I581 HydrophobicContact CG-CD1 4.1Å; L67-I581 HydrophobicContact CG-CG2 4.43Å; L573-I581 HydrophobicContact CD2-CD1 3.74Å; L573-I581 HydrophobicContact CD2-CG1 3.81Å; M579-I581 PolarHBondContact O-N 3.4Å; I581-V585 HydrophobicContact CG2-CB 4.34Å; I581-V585 HydrophobicContact CG2-CG1 4.34Å; I581-A586 HydrophobicContact CG2-CB 4.29Å
582	R	87.1	Confident	87.1	Confident	98 Å²	98	62.3 Å²	62.3	37%	0.37	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-79.2	161.4	175.1	-62.6	-167.5	-49.8	-143	-3.8	111.3	D584 V585 A586 D643	R582-D584 VanDerWaalsContact C-N 3.3Å; R582-D584 WeakPolarHBondContact CB-OD1 3.25Å; R582-D584 IonicContact CZ-OD1 3.07Å; R582-D584 IonicContact CZ-OD2 3.21Å; R582-D584 VanDerWaalsContact CZ-OD2 3.27Å; R582-D584 IonicContact NE-OD1 3.65Å; R582-D584 PolarHBondContact NE-OD1 2.84Å; R582-D584 IonicContact NE-OD2 3.49Å; R582-D584 PolarHBondContact NE-OD2 2.79Å; R582-D584 IonicContact NH2-OD1 3.53Å; R582-D584 IonicContact NH2-OD2 2.97Å; R582-D584 PolarHBondContact NH2-OD2 2.99Å; R582-D584 PolarHBondContact O-N 2.77Å; R582-V585 PolarHBondContact O-N 3.3Å; R582-A586 PolarHBondContact O-N 3.29Å; R582-D643 IonicContact CZ-OD1 3.84Å; R582-D643 IonicContact NH2-OD1 3.11Å; R582-D643 PolarHBondContact NH2-OD1 3.29Å; R582-D643 IonicContact NH2-OD2 3.11Å; R582-D643 PolarHBondContact NH2-OD2 2.83Å; R582-D643 VanDerWaalsContact NH2-OD2 3.11Å
583	D	90.2	Very high	87.5	Confident	95 Å²	95	59.5 Å²	59.5	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-31.9	-179.7	-67.1	-40.4	0	0	0	113.3	Y63 H587	Y63-D583 WeakPolarHBondContact CE1-OD1 2.99Å; Y63-D583 PolarHBondContact OH-OD1 2.85Å; D583-H587 VanDerWaalsContact O-CB 3.25Å; D583-H587 WeakPolarHBondContact O-CB 3.38Å; D583-H587 PolarHBondContact O-N 2.65Å
584	D	90.9	Very high	88.1	Confident	74 Å²	74	61.6 Å²	61.6	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-47.3	176.1	57.9	-23.1	0	0	0	111.4	R582 H587 E588	R582-D584 VanDerWaalsContact C-N 3.3Å; R582-D584 WeakPolarHBondContact CB-OD1 3.25Å; R582-D584 IonicContact CZ-OD1 3.07Å; R582-D584 IonicContact CZ-OD2 3.21Å; R582-D584 VanDerWaalsContact CZ-OD2 3.27Å; R582-D584 IonicContact NE-OD1 3.65Å; R582-D584 PolarHBondContact NE-OD1 2.84Å; R582-D584 IonicContact NE-OD2 3.49Å; R582-D584 PolarHBondContact NE-OD2 2.79Å; R582-D584 IonicContact NH2-OD1 3.53Å; R582-D584 IonicContact NH2-OD2 2.97Å; R582-D584 PolarHBondContact NH2-OD2 2.99Å; R582-D584 PolarHBondContact O-N 2.77Å; D584-H587 PolarHBondContact O-N 3.3Å; D584-E588 WeakPolarHBondContact O-CG 3.42Å; D584-E588 PolarHBondContact O-N 3.45Å
585	V	90.6	Very high	88.7	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-45.3	175.3	-179.1	0	0	0	0	110.7	I581 R582 H587 E588 V589 A640 D643 S645 L646	I581-V585 HydrophobicContact CG2-CB 4.34Å; I581-V585 HydrophobicContact CG2-CG1 4.34Å; R582-V585 PolarHBondContact O-N 3.3Å; V585-H587 VanDerWaalsContact C-N 3.33Å; V585-H587 PolarHBondContact O-N 2.98Å; V585-E588 PolarHBondContact O-N 3.21Å; V585-V589 WeakPolarHBondContact O-CG2 3.45Å; V585-V589 PolarHBondContact O-N 2.69Å; V585-A640 HydrophobicContact CG1-CB 4.17Å; V585-D643 HydrophobicContact CG2-CB 3.69Å; V585-D643 VanDerWaalsContact CG2-CG 3.49Å; V585-S645 WeakPolarHBondContact CG2-OG 3.49Å; V585-L646 HydrophobicContact CG1-CD1 4.04Å; V585-L646 HydrophobicContact CG1-CD2 4.31Å; V585-L646 HydrophobicContact CG1-CG 4.32Å
586	A	92.1	Very high	89.2	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-43.8	177.3	0	0	0	0	0	111.5	A65 L67 I581 R582 E588 V589 Y590	A65-A586 HydrophobicContact CB-CB 3.51Å; L67-A586 HydrophobicContact CD2-CB 4.05Å; I581-A586 HydrophobicContact CG2-CB 4.29Å; R582-A586 PolarHBondContact O-N 3.29Å; A586-E588 VanDerWaalsContact C-N 3.35Å; A586-E588 PolarHBondContact O-N 2.76Å; A586-V589 PolarHBondContact O-N 2.95Å; A586-V589 VanDerWaalsContact O-N 3.14Å; A586-Y590 WeakPolarHBondContact O-CD2 3.5Å; A586-Y590 PolarHBondContact O-N 3.46Å
587	H	94.2	Very high	89.9	Confident	119 Å²	119	45.4 Å²	45.4	55%	0.551	23%	0.231	S	C	*	.	H	α-helix	trans	-58.9	-43.5	175.8	178.8	-87.5	0	0	0	112.2	D583 D584 V585 V589 Y590 H591	D583-H587 VanDerWaalsContact O-CB 3.25Å; D583-H587 WeakPolarHBondContact O-CB 3.38Å; D583-H587 PolarHBondContact O-N 2.65Å; D584-H587 PolarHBondContact O-N 3.3Å; V585-H587 VanDerWaalsContact C-N 3.33Å; V585-H587 PolarHBondContact O-N 2.98Å; H587-V589 VanDerWaalsContact C-N 3.32Å; H587-V589 PolarHBondContact O-N 3.26Å; H587-Y590 PolarHBondContact O-N 2.92Å; H587-H591 VanDerWaalsContact O-CB 3.28Å; H587-H591 WeakPolarHBondContact O-CB 3.49Å; H587-H591 PolarHBondContact O-N 2.93Å
588	E	92.9	Very high	91	Very high	54 Å²	54	44 Å²	44	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-38	174.9	-71.5	-62.6	156.9	0	0	112.2	D584 V585 A586 H591 S592 S636 A640	D584-E588 WeakPolarHBondContact O-CG 3.42Å; D584-E588 PolarHBondContact O-N 3.45Å; V585-E588 PolarHBondContact O-N 3.21Å; A586-E588 VanDerWaalsContact C-N 3.35Å; A586-E588 PolarHBondContact O-N 2.76Å; E588-H591 PolarHBondContact O-N 3.07Å; E588-S592 VanDerWaalsContact O-CB 3.28Å; E588-S592 WeakPolarHBondContact O-CB 3.47Å; E588-S592 PolarHBondContact O-N 3.21Å; E588-S636 WeakPolarHBondContact O-CB 3.44Å; E588-S636 WeakPolarHBondContact OE2-CA 3.4Å; E588-S636 WeakPolarHBondContact OE2-CB 3.48Å; E588-S636 PolarHBondContact OE2-OG 3.37Å; E588-A640 HydrophobicContact CB-CB 3.88Å
589	V	94.7	Very high	92	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-45.9	174.8	179.1	0	0	0	0	111.6	L67 P68 I72 L569 V585 A586 H587 H591 S592 C593 A640	L67-V589 HydrophobicContact CD2-CB 3.85Å; L67-V589 HydrophobicContact CD2-CG1 4.05Å; L67-V589 HydrophobicContact CD2-CG2 3.88Å; P68-V589 HydrophobicContact CG-CG1 4.07Å; I72-V589 HydrophobicContact CD1-CG1 3.99Å; L569-V589 HydrophobicContact CD2-CG2 3.67Å; V585-V589 WeakPolarHBondContact O-CG2 3.45Å; V585-V589 PolarHBondContact O-N 2.69Å; A586-V589 PolarHBondContact O-N 2.95Å; A586-V589 VanDerWaalsContact O-N 3.14Å; H587-V589 VanDerWaalsContact C-N 3.32Å; H587-V589 PolarHBondContact O-N 3.26Å; V589-H591 VanDerWaalsContact C-N 3.34Å; V589-H591 PolarHBondContact O-N 3.46Å; V589-S592 PolarHBondContact O-N 3.26Å; V589-C593 PolarHBondContact O-N 2.68Å; V589-C593 PolarHBondContact O-SG 2.83Å; V589-A640 HydrophobicContact CG2-CB 3.63Å
590	Y	96	Very high	92.8	Very high	91 Å²	91	40.8 Å²	40.8	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-44.2	175.1	-80	-76	0	0	0	111.7	S66 P68 A586 H587 S592 C593 S594	S66-Y590 WeakPolarHBondContact O-CE2 3.31Å; S66-Y590 PolarHBondContact O-OH 2.89Å; P68-Y590 HydrophobicContact CB-CD1 3.89Å; P68-Y590 HydrophobicContact CB-CE1 3.5Å; P68-Y590 HydrophobicContact CG-CD1 3.74Å; P68-Y590 HydrophobicContact CG-CE1 3.73Å; P68-Y590 HydrophobicContact CG-CG 4.22Å; A586-Y590 WeakPolarHBondContact O-CD2 3.5Å; A586-Y590 PolarHBondContact O-N 3.46Å; H587-Y590 PolarHBondContact O-N 2.92Å; Y590-S592 VanDerWaalsContact C-N 3.31Å; Y590-S592 PolarHBondContact O-N 3.36Å; Y590-C593 PolarHBondContact O-N 2.76Å; Y590-S594 WeakPolarHBondContact O-CB 3.5Å; Y590-S594 PolarHBondContact O-N 3.23Å
591	H	95.5	Very high	93.5	Very high	74 Å²	74	41 Å²	41	34%	0.343	20%	0.203	S	C	.	.	H	α-helix	trans	-63.8	-38.9	178.6	-172.6	-106.5	0	0	0	111.4	H587 E588 V589 N595 S636	H587-H591 VanDerWaalsContact O-CB 3.28Å; H587-H591 WeakPolarHBondContact O-CB 3.49Å; H587-H591 PolarHBondContact O-N 2.93Å; E588-H591 PolarHBondContact O-N 3.07Å; V589-H591 VanDerWaalsContact C-N 3.34Å; V589-H591 PolarHBondContact O-N 3.46Å; H591-N595 PolarHBondContact CE1-ND2 3.21Å; H591-N595 PolarHBondContact ND1-ND2 2.87Å; H591-N595 PolarHBondContact NE2-ND2 2.95Å; H591-N595 VanDerWaalsContact NE2-ND2 3.12Å; H591-N595 WeakPolarHBondContact O-CB 3Å; H591-N595 PolarHBondContact O-N 3.45Å; H591-N595 PolarHBondContact O-ND2 3.26Å; H591-S636 PolarHBondContact ND1-OG 3.05Å
592	S	95.7	Very high	93.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-47.7	174.2	-174.8	0	0	0	0	112.2	E588 V589 Y590 S594 N595 W596 A633 S637	E588-S592 VanDerWaalsContact O-CB 3.28Å; E588-S592 WeakPolarHBondContact O-CB 3.47Å; E588-S592 PolarHBondContact O-N 3.21Å; V589-S592 PolarHBondContact O-N 3.26Å; Y590-S592 VanDerWaalsContact C-N 3.31Å; Y590-S592 PolarHBondContact O-N 3.36Å; S592-S594 PolarHBondContact O-N 2.99Å; S592-N595 PolarHBondContact O-N 3.42Å; S592-W596 VanDerWaalsContact O-CB 3.26Å; S592-W596 WeakPolarHBondContact O-CB 3.17Å; S592-W596 PolarHBondContact O-N 3.41Å; S592-A633 PolarHBondContact OG-O 3.18Å; S592-S637 WeakPolarHBondContact OG-CB 3.23Å
593	C	96.2	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-44.4	179.4	-63.6	0	0	0	0	112.2	E71 I72 L75 V589 Y590 W596 S597	E71-C593 HydrophobicContact CG-CB 4.49Å; I72-C593 WeakPolarHBondContact CG1-SG 3.44Å; L75-C593 HydrophobicContact CD1-CB 3.88Å; V589-C593 PolarHBondContact O-N 2.68Å; V589-C593 PolarHBondContact O-SG 2.83Å; Y590-C593 PolarHBondContact O-N 2.76Å; C593-W596 WeakPolarHBondContact O-CB 3.35Å; C593-W596 PolarHBondContact O-N 2.8Å; C593-S597 PolarHBondContact O-N 2.91Å
594	S	96.3	Very high	93.9	Very high	55 Å²	55	37.3 Å²	37.3	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-61.3	-46.7	176.9	178.7	0	0	0	0	112	Y590 S592 W596 S597 L598	Y590-S594 WeakPolarHBondContact O-CB 3.5Å; Y590-S594 PolarHBondContact O-N 3.23Å; S592-S594 PolarHBondContact O-N 2.99Å; S594-W596 VanDerWaalsContact C-N 3.35Å; S594-W596 PolarHBondContact O-N 2.9Å; S594-S597 PolarHBondContact O-N 3.37Å; S594-S597 PolarHBondContact O-OG 3.1Å; S594-L598 VanDerWaalsContact O-CG 3.26Å; S594-L598 WeakPolarHBondContact O-CG 3.23Å; S594-L598 PolarHBondContact O-N 2.88Å
595	N	96.5	Very high	93.6	Very high	11 Å²	11	41 Å²	41	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-33.8	177	-75.2	-59.2	0	0	0	112.5	H591 S592 L598 A599 Y629 A633	H591-N595 PolarHBondContact CE1-ND2 3.21Å; H591-N595 PolarHBondContact ND1-ND2 2.87Å; H591-N595 PolarHBondContact NE2-ND2 2.95Å; H591-N595 VanDerWaalsContact NE2-ND2 3.12Å; H591-N595 WeakPolarHBondContact O-CB 3Å; H591-N595 PolarHBondContact O-N 3.45Å; H591-N595 PolarHBondContact O-ND2 3.26Å; S592-N595 PolarHBondContact O-N 3.42Å; N595-L598 PolarHBondContact O-N 3.45Å; N595-A599 WeakPolarHBondContact O-CB 3.31Å; N595-A599 PolarHBondContact O-N 3.16Å; N595-Y629 WeakPolarHBondContact OD1-CD1 3.35Å; N595-A633 HydrophobicContact CB-CB 3.83Å
596	W	96.3	Very high	92.7	Very high	9 Å²	9	41.1 Å²	41.1	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-46.1	173.5	-177.7	8.5	0	0	0	110.9	L75 L559 T562 K563 I566 S592 C593 S594 L598 A599 L600 A633	L75-W596 HydrophobicContact CB-CD2 4.13Å; L75-W596 HydrophobicContact CB-CE3 3.91Å; L75-W596 HydrophobicContact CB-CH2 3.96Å; L75-W596 HydrophobicContact CB-CZ2 4.18Å; L75-W596 HydrophobicContact CB-CZ3 3.83Å; L75-W596 HydrophobicContact CD1-CD2 4.23Å; L75-W596 HydrophobicContact CD1-CE3 3.9Å; L75-W596 HydrophobicContact CD1-CZ3 4.48Å; L75-W596 HydrophobicContact CG-CE3 4.49Å; L559-W596 VanDerWaalsContact CD2-CD1 3.43Å; L559-W596 HydrophobicContact CD2-CG 4.35Å; T562-W596 HydrophobicContact CG2-CD2 4.23Å; T562-W596 HydrophobicContact CG2-CE3 4.14Å; T562-W596 HydrophobicContact CG2-CG 4.41Å; K563-W596 HydrophobicContact CB-CH2 3.7Å; K563-W596 HydrophobicContact CB-CZ2 3.72Å; K563-W596 HydrophobicContact CG-CH2 3.9Å; K563-W596 HydrophobicContact CG-CZ2 4.14Å; I566-W596 HydrophobicContact CD1-CE3 3.75Å; I566-W596 HydrophobicContact CD1-CZ3 3.9Å; S592-W596 VanDerWaalsContact O-CB 3.26Å; S592-W596 WeakPolarHBondContact O-CB 3.17Å; S592-W596 PolarHBondContact O-N 3.41Å; C593-W596 WeakPolarHBondContact O-CB 3.35Å; C593-W596 PolarHBondContact O-N 2.8Å; S594-W596 VanDerWaalsContact C-N 3.35Å; S594-W596 PolarHBondContact O-N 2.9Å; W596-L598 PolarHBondContact O-N 3.16Å; W596-A599 PolarHBondContact O-N 3.36Å; W596-L600 WeakPolarHBondContact O-CG 3.06Å; W596-L600 PolarHBondContact O-N 3.23Å; W596-A633 HydrophobicContact CB-CB 4.1Å
597	S	95.6	Very high	91.5	Very high	25 Å²	25	45.5 Å²	45.5	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-44.4	177.7	78.8	0	0	0	0	111.5	C593 S594 A599 L600 D601	C593-S597 PolarHBondContact O-N 2.91Å; S594-S597 PolarHBondContact O-N 3.37Å; S594-S597 PolarHBondContact O-OG 3.1Å; S597-A599 PolarHBondContact O-N 3.5Å; S597-L600 PolarHBondContact O-N 2.86Å; S597-D601 WeakPolarHBondContact O-CB 3.41Å; S597-D601 VanDerWaalsContact O-CG 3.32Å; S597-D601 PolarHBondContact O-N 3.28Å
598	L	94.5	Very high	90.1	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-61.6	-42.3	177.1	-71.6	172.5	0	0	0	112.3	S594 N595 W596 L600 D601 N602 Y629	S594-L598 VanDerWaalsContact O-CG 3.26Å; S594-L598 WeakPolarHBondContact O-CG 3.23Å; S594-L598 PolarHBondContact O-N 2.88Å; N595-L598 PolarHBondContact O-N 3.45Å; W596-L598 PolarHBondContact O-N 3.16Å; L598-L600 PolarHBondContact O-N 3.45Å; L598-D601 PolarHBondContact O-N 2.79Å; L598-N602 WeakPolarHBondContact O-CB 3.25Å; L598-N602 VanDerWaalsContact O-CG 3.3Å; L598-N602 PolarHBondContact O-N 3.29Å; L598-Y629 HydrophobicContact CB-CD1 4.29Å; L598-Y629 HydrophobicContact CB-CG 4.26Å; L598-Y629 HydrophobicContact CD1-CD1 4.18Å; L598-Y629 HydrophobicContact CD1-CE1 3.96Å
599	A	94.9	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176	0	0	0	0	0	111.8	L559 N595 W596 S597 L603 A630	L559-A599 HydrophobicContact CD2-CB 3.93Å; N595-A599 WeakPolarHBondContact O-CB 3.31Å; N595-A599 PolarHBondContact O-N 3.16Å; W596-A599 PolarHBondContact O-N 3.36Å; S597-A599 PolarHBondContact O-N 3.5Å; A599-L603 WeakPolarHBondContact O-CG 3.45Å; A599-L603 PolarHBondContact O-N 3.45Å; A599-A630 HydrophobicContact CB-CB 4.03Å
600	L	94	Very high	86.6	Confident	8 Å²	8	41 Å²	41	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-42.4	176.1	-71.4	174.3	0	0	0	112.4	L75 R78 I80 L559 W596 S597 L598 L603 K604	L75-L600 HydrophobicContact CD2-CD1 4.14Å; R78-L600 HydrophobicContact CB-CD1 4.2Å; I80-L600 HydrophobicContact CG1-CD2 4.17Å; L559-L600 HydrophobicContact CD1-CD2 3.92Å; W596-L600 WeakPolarHBondContact O-CG 3.06Å; W596-L600 PolarHBondContact O-N 3.23Å; S597-L600 PolarHBondContact O-N 2.86Å; L598-L600 PolarHBondContact O-N 3.45Å; L600-L603 PolarHBondContact O-N 2.65Å; L600-K604 WeakPolarHBondContact O-CB 3.35Å; L600-K604 PolarHBondContact O-N 2.89Å
601	D	92.6	Very high	84.3	Confident	63 Å²	63	42.5 Å²	42.5	34%	0.337	22%	0.215	S	C	.	.	H	α-helix	trans	-66.4	-38.9	179.4	-70.7	-25.6	0	0	0	111.3	R78 S597 L598 K604 R605	R78-D601 IonicContact CZ-OD1 2.79Å; R78-D601 VanDerWaalsContact CZ-OD1 3.32Å; R78-D601 IonicContact NH1-OD1 2.96Å; R78-D601 PolarHBondContact NH1-OD1 2.93Å; R78-D601 IonicContact NH1-OD2 3.74Å; R78-D601 IonicContact NH2-OD1 3.32Å; R78-D601 PolarHBondContact NH2-OD1 2.94Å; S597-D601 WeakPolarHBondContact O-CB 3.41Å; S597-D601 VanDerWaalsContact O-CG 3.32Å; S597-D601 PolarHBondContact O-N 3.28Å; L598-D601 PolarHBondContact O-N 2.79Å; D601-K604 PolarHBondContact O-N 3.45Å; D601-R605 PolarHBondContact O-N 2.91Å
602	N	90.3	Very high	81.8	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-69	-38.4	175.9	-75.4	-10.3	0	0	0	113	L598 K604 R605 P606 T626 Y629	L598-N602 WeakPolarHBondContact O-CB 3.25Å; L598-N602 VanDerWaalsContact O-CG 3.3Å; L598-N602 PolarHBondContact O-N 3.29Å; N602-K604 VanDerWaalsContact C-N 3.3Å; N602-K604 PolarHBondContact O-N 3.09Å; N602-R605 CarbonylContact O-C 3.39Å; N602-R605 PolarHBondContact O-N 3.37Å; N602-P606 WeakPolarHBondContact O-CA 3.28Å; N602-T626 HydrophobicContact CB-CG2 4.18Å; N602-T626 WeakPolarHBondContact CB-OG1 3.28Å; N602-Y629 VanDerWaalsContact ND2-CD2 3.32Å; N602-Y629 WeakPolarHBondContact ND2-CD2 3.35Å; N602-Y629 VanDerWaalsContact ND2-CE2 3.28Å; N602-Y629 WeakPolarHBondContact ND2-CE2 3.35Å
603	L	91.8	Very high	79	Confident	7 Å²	7	47 Å²	47	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-41.6	171.3	-75	176.7	0	0	0	111	I80 E81 I82 T83 L552 T555 L559 A599 L600 T626	I80-L603 HydrophobicContact CG2-CD1 3.91Å; E81-L603 CarbonylContact O-C 3.22Å; E81-L603 VanDerWaalsContact O-C 3.22Å; E81-L603 VanDerWaalsContact O-CB 3.27Å; E81-L603 WeakPolarHBondContact O-CB 3.35Å; I82-L603 HydrophobicContact CG1-CD1 4.38Å; I82-L603 HydrophobicContact CG1-CD2 4.39Å; T83-L603 PolarHBondContact N-O 3.09Å; L552-L603 HydrophobicContact CD1-CD2 3.87Å; T555-L603 HydrophobicContact CG2-CD1 3.96Å; T555-L603 HydrophobicContact CG2-CD2 4.28Å; T555-L603 HydrophobicContact CG2-CG 4.36Å; L559-L603 HydrophobicContact CD1-CD1 3.73Å; A599-L603 WeakPolarHBondContact O-CG 3.45Å; A599-L603 PolarHBondContact O-N 3.45Å; L600-L603 PolarHBondContact O-N 2.65Å; L603-T626 HydrophobicContact CD2-CG2 3.72Å; L603-T626 HydrophobicContact CG-CG2 3.63Å
604	K	90.1	Very high	76.2	Confident	93 Å²	93	51.8 Å²	51.8	40%	0.404	29%	0.294	S	S	.	.	H	α-helix	trans	-68.9	-37.7	-178.8	-179.4	173.9	-180	128.6	0	112.4	E81 T83 L600 D601 N602	E81-K604 HydrophobicContact CB-CB 4.35Å; E81-K604 HydrophobicContact CB-CG 4.35Å; E81-K604 VanDerWaalsContact CD-NZ 3.35Å; E81-K604 WeakPolarHBondContact O-CA 3.12Å; E81-K604 PolarHBondContact O-N 3.27Å; E81-K604 IonicContact OE1-NZ 2.73Å; E81-K604 PolarHBondContact OE1-NZ 3.46Å; E81-K604 WeakPolarHBondContact OE2-CD 3.2Å; E81-K604 WeakPolarHBondContact OE2-CE 3.3Å; E81-K604 IonicContact OE2-NZ 2.97Å; E81-K604 PolarHBondContact OE2-NZ 2.79Å; T83-K604 WeakPolarHBondContact CB-O 3.23Å; T83-K604 PolarHBondContact OG1-O 2.83Å; L600-K604 WeakPolarHBondContact O-CB 3.35Å; L600-K604 PolarHBondContact O-N 2.89Å; D601-K604 PolarHBondContact O-N 3.45Å; N602-K604 VanDerWaalsContact C-N 3.3Å; N602-K604 PolarHBondContact O-N 3.09Å
605	R	84	Confident	73.4	Confident	151 Å²	151	53.7 Å²	53.7	57%	0.57	31%	0.307	S	S	*	.	S	Bend	trans	-141.7	83.3	-177.7	-162.7	174.7	75.2	121.1	7	110.9	D601 N602 N610	D601-R605 PolarHBondContact O-N 2.91Å; N602-R605 CarbonylContact O-C 3.39Å; N602-R605 PolarHBondContact O-N 3.37Å; R605-N610 PolarHBondContact NH1-OD1 3.42Å
606	P	73	Confident	70.5	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.039	35%	0.345	C	S	.	.			trans	-63.5	144.5	-179.5	23	-30.4	0	0	0	110.7	T83 P85 N602 E608 T609 S622	T83-P606 HydrophobicContact CG2-CG 4.45Å; T83-P606 WeakPolarHBondContact O-CG 3.4Å; P85-P606 HydrophobicContact CG-CG 4.38Å; N602-P606 WeakPolarHBondContact O-CA 3.28Å; P606-E608 PolarHBondContact O-N 2.98Å; P606-T609 HydrophobicContact CG-CG2 3.88Å; P606-T609 WeakPolarHBondContact O-CB 3.44Å; P606-T609 PolarHBondContact O-N 3.47Å; P606-T609 PolarHBondContact O-OG1 2.9Å; P606-S622 VanDerWaalsContact CB-OG 3.27Å; P606-S622 WeakPolarHBondContact CB-OG 3.24Å
607	D	66.9	Low	67.8	Low	97 Å²	97	68 Å²	68	52%	0.519	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-57.4	-25.7	-173.9	-81.3	-33.6	0	0	0	113.6	T609 N610	D607-T609 PolarHBondContact O-N 3.15Å; D607-N610 WeakPolarHBondContact O-CB 3.45Å; D607-N610 PolarHBondContact O-N 2.93Å; D607-N610 VanDerWaalsContact O-N 3.09Å
608	E	64.6	Low	65.4	Low	31 Å²	31	74.7 Å²	74.7	15%	0.145	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63.4	-20.5	175.7	-63.4	178	162.4	0	0	113.1	P85 S194 S195 V196 P606	P85-E608 HydrophobicContact CG-CB 4.44Å; P85-E608 WeakPolarHBondContact CG-OE2 3.34Å; S194-E608 PolarHBondContact OG-OE1 2.84Å; S195-E608 VanDerWaalsContact C-OE2 3.32Å; S195-E608 WeakPolarHBondContact CA-OE2 3.49Å; S195-E608 WeakPolarHBondContact CB-OE2 3.32Å; S195-E608 PolarHBondContact N-OE1 2.98Å; S195-E608 PolarHBondContact N-OE2 2.85Å; S195-E608 PolarHBondContact OG-OE1 2.73Å; S195-E608 PolarHBondContact OG-OE2 3.32Å; V196-E608 HydrophobicContact CG2-CB 4Å; V196-E608 HydrophobicContact CG2-CG 4.23Å; V196-E608 WeakPolarHBondContact CG2-OE2 3.49Å; V196-E608 PolarHBondContact N-OE2 3.4Å; V196-E608 VanDerWaalsContact N-OE2 3.14Å; P606-E608 PolarHBondContact O-N 2.98Å
609	T	56.2	Low	63.2	Low	26 Å²	26	74.4 Å²	74.4	16%	0.16	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-83.2	-10.6	175.9	62.4	0	0	0	0	113.5	T83 P85 H131 P606 D607 D611	T83-T609 HydrophobicContact CG2-CG2 4.47Å; P85-T609 HydrophobicContact CB-CG2 4.28Å; H131-T609 HydrophobicContact CB-CG2 4.39Å; P606-T609 HydrophobicContact CG-CG2 3.88Å; P606-T609 WeakPolarHBondContact O-CB 3.44Å; P606-T609 PolarHBondContact O-N 3.47Å; P606-T609 PolarHBondContact O-OG1 2.9Å; D607-T609 PolarHBondContact O-N 3.15Å; T609-D611 PolarHBondContact O-N 3.13Å
610	N	56.6	Low	61.3	Low	26 Å²	26	78.5 Å²	78.5	14%	0.139	42%	0.424	C	S	.	.			trans	-87.1	102.7	-179.5	-65.4	-34	0	0	0	110.1	K174 R605 D607 S612	K174-N610 PolarHBondContact NZ-O 3Å; R605-N610 PolarHBondContact NH1-OD1 3.42Å; D607-N610 WeakPolarHBondContact O-CB 3.45Å; D607-N610 PolarHBondContact O-N 2.93Å; D607-N610 VanDerWaalsContact O-N 3.09Å; N610-S612 PolarHBondContact O-N 3.17Å; N610-S612 VanDerWaalsContact O-N 3.11Å
611	D	48.2	Very low	60	Low	123 Å²	123	78.1 Å²	78.1	66%	0.658	42%	0.422	S	S	*	.			trans	-66	-5.8	174.8	-79.6	-36.3	0	0	0	114	T609 A613	T609-D611 PolarHBondContact O-N 3.13Å; D611-A613 PolarHBondContact O-N 2.67Å; D611-A613 VanDerWaalsContact O-N 3.16Å
612	S	43.4	Very low	59.4	Low	75 Å²	75	75.5 Å²	75.5	52%	0.524	41%	0.409	S	S	.	.			trans	-70.3	110.8	177.9	43.2	0	0	0	0	111.7	N610 S614	N610-S612 PolarHBondContact O-N 3.17Å; N610-S612 VanDerWaalsContact O-N 3.11Å; S612-S614 PolarHBondContact O-N 2.97Å
613	A	38	Very low	59.3	Low	93 Å²	93	75.4 Å²	75.4	77%	0.769	41%	0.408	S	S	*	.			trans	-70.7	30.5	-175	0	0	0	0	0	116.1	D611	D611-A613 PolarHBondContact O-N 2.67Å; D611-A613 VanDerWaalsContact O-N 3.16Å
614	S	35.4	Very low	59.1	Low	101 Å²	101	75 Å²	75	71%	0.706	41%	0.406	S	S	*	.			trans	-125.9	44.2	-161.8	67.1	0	0	0	0	116.8	S612	S612-S614 PolarHBondContact O-N 2.97Å
615	S	37.5	Very low	59.1	Low	94 Å²	94	72.2 Å²	72.2	66%	0.657	40%	0.397	S	S	*	.			trans	-148.9	114.6	153.7	59	0	0	0	0	110.6	N617	S615-N617 PolarHBondContact O-N 2.91Å
616	H	36.6	Very low	59.5	Low	188 Å²	188	65.1 Å²	65.1	87%	0.87	37%	0.37	S	S	*	.			trans	-70.1	23.4	178.6	-80.7	43.3	0	0	0	114.1
617	N	39.1	Very low	60.5	Low	134 Å²	134	64.8 Å²	64.8	72%	0.717	37%	0.368	S	S	*	.	S	Bend	trans	-101.6	135.7	-179.1	-74	1.1	0	0	0	109.9	S615 I619	S615-N617 PolarHBondContact O-N 2.91Å; N617-I619 PolarHBondContact O-N 3.36Å
618	E	45.5	Very low	61.7	Low	165 Å²	165	63 Å²	63	77%	0.771	36%	0.356	S	S	*	.			trans	-41.2	122.8	-178.2	-68.6	173.2	152.6	0	0	111.3	M620	E618-M620 PolarHBondContact O-N 3.07Å
619	I	49.1	Very low	63.2	Low	56 Å²	56	65.2 Å²	65.2	29%	0.287	36%	0.364	S	S	.	.			trans	-71.7	97.2	179.6	-66.4	148.4	0	0	0	107.4	K174 N617	K174-I619 HydrophobicContact CB-CD1 3.38Å; K174-I619 HydrophobicContact CD-CD1 4.17Å; K174-I619 HydrophobicContact CG-CD1 3.74Å; K174-I619 WeakPolarHBondContact O-CD1 3.3Å; N617-I619 PolarHBondContact O-N 3.36Å
620	M	54.4	Low	65.1	Low	86 Å²	86	64 Å²	64	42%	0.424	36%	0.356	S	S	.	.			trans	-75.1	145.9	169.9	-63.5	-173.4	82.2	0	0	109.1	P364 F365 E618 S622 V625	P364-M620 HydrophobicContact CG-CE 3.32Å; F365-M620 HydrophobicContact CE1-CE 3.89Å; F365-M620 HydrophobicContact CZ-CB 4.12Å; F365-M620 HydrophobicContact CZ-CE 4Å; E618-M620 PolarHBondContact O-N 3.07Å; M620-S622 PolarHBondContact O-N 2.76Å; M620-V625 HydrophobicContact CB-CG2 3.73Å
621	C	67.4	Low	66.9	Low	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.355	C	S	.	.			trans	-49.6	117.6	176.5	176.4	0	0	0	0	111.2	S193 F365 N548 L623 G624 V625	S193-C621 VanDerWaalsContact O-CA 3.22Å; S193-C621 WeakPolarHBondContact O-CA 3.35Å; S193-C621 VanDerWaalsContact O-CB 3.27Å; S193-C621 WeakPolarHBondContact O-CB 3.44Å; S193-C621 PolarHBondContact O-N 2.85Å; S193-C621 WeakPolarHBondContact OG-CB 3.38Å; F365-C621 HydrophobicContact CE2-CB 3.9Å; F365-C621 HydrophobicContact CZ-CB 4.12Å; N548-C621 PolarHBondContact OD1-SG 2.67Å; N548-C621 VanDerWaalsContact OD1-SG 3.4Å; C621-L623 PolarHBondContact O-N 3.05Å; C621-G624 PolarHBondContact O-N 3.05Å; C621-V625 PolarHBondContact O-N 3.43Å
622	S	78.8	Confident	69	Low	7 Å²	7	60.3 Å²	60.3	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-38.7	-175.3	-170.7	0	0	0	0	111.5	S195 P606 M620 T626	S195-S622 WeakPolarHBondContact OG-CB 3.18Å; P606-S622 VanDerWaalsContact CB-OG 3.27Å; P606-S622 WeakPolarHBondContact CB-OG 3.24Å; M620-S622 PolarHBondContact O-N 2.76Å; S622-T626 WeakPolarHBondContact O-CB 3.44Å; S622-T626 PolarHBondContact O-N 2.89Å; S622-T626 PolarHBondContact O-OG1 2.66Å
623	L	88.3	Confident	71.5	Confident	24 Å²	24	56.7 Å²	56.7	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-38.4	177.4	-77.8	163.4	0	0	0	112.5	N548 F551 L552 C621 T626 F627	N548-L623 HydrophobicContact CB-CD1 3.64Å; F551-L623 HydrophobicContact CB-CB 4.14Å; L552-L623 HydrophobicContact CB-CD2 4.23Å; L552-L623 HydrophobicContact CD1-CD2 3.79Å; C621-L623 PolarHBondContact O-N 3.05Å; L623-T626 PolarHBondContact O-N 2.95Å; L623-F627 WeakPolarHBondContact O-CB 3.4Å; L623-F627 PolarHBondContact O-N 3.37Å
624	G	89	Confident	74.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-43.6	175.5	0	0	0	0	0	112.3	F365 C621 T626 F627 Q628	F365-G624 VanDerWaalsContact CD1-O 3.3Å; F365-G624 WeakPolarHBondContact CD1-O 3.3Å; C621-G624 PolarHBondContact O-N 3.05Å; G624-T626 VanDerWaalsContact C-N 3.33Å; G624-T626 PolarHBondContact O-N 2.71Å; G624-F627 WeakPolarHBondContact O-CB 3.48Å; G624-F627 PolarHBondContact O-N 3.49Å; G624-Q628 PolarHBondContact O-N 2.94Å
625	V	88.6	Confident	76.7	Confident	33 Å²	33	51.1 Å²	51.1	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-43.3	174.7	173.8	0	0	0	0	110.8	F365 M620 C621 F627 Q628 Y629	F365-V625 HydrophobicContact CE1-CB 4.47Å; F365-V625 HydrophobicContact CE1-CG2 3.78Å; F365-V625 VanDerWaalsContact CE1-N 3.33Å; F365-V625 HydrophobicContact CZ-CG2 4.17Å; M620-V625 HydrophobicContact CB-CG2 3.73Å; C621-V625 PolarHBondContact O-N 3.43Å; V625-F627 VanDerWaalsContact C-N 3.33Å; V625-F627 PolarHBondContact O-N 3.28Å; V625-Q628 WeakPolarHBondContact O-CB 3.35Å; V625-Q628 PolarHBondContact O-N 3.3Å; V625-Y629 HydrophobicContact CG1-CD2 3.92Å; V625-Y629 HydrophobicContact CG1-CE2 3.43Å; V625-Y629 VanDerWaalsContact CG1-CE2 3.43Å; V625-Y629 VanDerWaalsContact O-CD2 3.27Å; V625-Y629 WeakPolarHBondContact O-CD2 3.42Å; V625-Y629 PolarHBondContact O-N 3.14Å; V625-Y629 VanDerWaalsContact O-N 3.13Å
626	T	92.8	Very high	79.3	Confident	2 Å²	2	47 Å²	47	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-41.5	177.3	-56.4	0	0	0	0	112	T555 N602 L603 S622 L623 G624 Q628 Y629 A630	T555-T626 HydrophobicContact CG2-CG2 3.91Å; N602-T626 HydrophobicContact CB-CG2 4.18Å; N602-T626 WeakPolarHBondContact CB-OG1 3.28Å; L603-T626 HydrophobicContact CD2-CG2 3.72Å; L603-T626 HydrophobicContact CG-CG2 3.63Å; S622-T626 WeakPolarHBondContact O-CB 3.44Å; S622-T626 PolarHBondContact O-N 2.89Å; S622-T626 PolarHBondContact O-OG1 2.66Å; L623-T626 PolarHBondContact O-N 2.95Å; G624-T626 VanDerWaalsContact C-N 3.33Å; G624-T626 PolarHBondContact O-N 2.71Å; T626-Q628 VanDerWaalsContact C-N 3.32Å; T626-Q628 PolarHBondContact O-N 2.79Å; T626-Y629 PolarHBondContact O-N 3.15Å; T626-A630 PolarHBondContact O-N 3.49Å
627	F	94.2	Very high	82	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-44	173.3	166.7	-103.2	0	0	0	111.7	V309 V366 W550 F551 R554 T555 L623 G624 V625 Y629 A630 Y631	V309-F627 HydrophobicContact CG1-CE2 3.57Å; V309-F627 HydrophobicContact CG1-CZ 4.02Å; V366-F627 HydrophobicContact CG2-CD1 4.47Å; V366-F627 HydrophobicContact CG2-CE1 3.76Å; V366-F627 HydrophobicContact CG2-CZ 4.36Å; W550-F627 HydrophobicContact CH2-CE2 4.39Å; W550-F627 HydrophobicContact CH2-CZ 4.09Å; W550-F627 HydrophobicContact CZ3-CE1 4.34Å; W550-F627 HydrophobicContact CZ3-CE2 4.3Å; W550-F627 HydrophobicContact CZ3-CZ 4.14Å; F551-F627 HydrophobicContact CB-CB 4.36Å; F551-F627 HydrophobicContact CD1-CB 3.76Å; F551-F627 AromaticContact CD1-CD1 3.86Å; F551-F627 HydrophobicContact CD1-CD1 3.86Å; F551-F627 HydrophobicContact CD1-CD2 4.48Å; F551-F627 AromaticContact CD1-CG 3.76Å; F551-F627 HydrophobicContact CD1-CG 3.76Å; F551-F627 AromaticContact CE1-CD1 3.93Å; F551-F627 HydrophobicContact CE1-CD1 3.93Å; F551-F627 HydrophobicContact CE1-CG 4.31Å; F551-F627 HydrophobicContact CG-CB 4.38Å; R554-F627 HydrophobicContact CB-CD2 3.86Å; R554-F627 HydrophobicContact CB-CE2 3.66Å; T555-F627 VanDerWaalsContact OG1-CA 3.23Å; T555-F627 WeakPolarHBondContact OG1-CA 2.85Å; T555-F627 WeakPolarHBondContact OG1-CB 3.33Å; L623-F627 WeakPolarHBondContact O-CB 3.4Å; L623-F627 PolarHBondContact O-N 3.37Å; G624-F627 WeakPolarHBondContact O-CB 3.48Å; G624-F627 PolarHBondContact O-N 3.49Å; V625-F627 VanDerWaalsContact C-N 3.33Å; V625-F627 PolarHBondContact O-N 3.28Å; F627-Y629 PolarHBondContact O-N 3.45Å; F627-A630 PolarHBondContact O-N 2.85Å; F627-Y631 VanDerWaalsContact O-CB 3.3Å; F627-Y631 WeakPolarHBondContact O-CB 3.44Å; F627-Y631 PolarHBondContact O-N 2.79Å
628	Q	92.8	Very high	84.4	Confident	58 Å²	58	34 Å²	34	27%	0.271	17%	0.167	S	C	.	.	H	α-helix	trans	-61	-43.3	178.4	-165.2	67.2	24.2	0	0	112.1	G624 V625 T626 Y631 N632	G624-Q628 PolarHBondContact O-N 2.94Å; V625-Q628 WeakPolarHBondContact O-CB 3.35Å; V625-Q628 PolarHBondContact O-N 3.3Å; T626-Q628 VanDerWaalsContact C-N 3.32Å; T626-Q628 PolarHBondContact O-N 2.79Å; Q628-Y631 PolarHBondContact O-N 2.83Å; Q628-N632 WeakPolarHBondContact O-CB 3.31Å; Q628-N632 PolarHBondContact O-N 3.13Å; Q628-N632 PolarHBondContact O-ND2 3.05Å
629	Y	95.2	Very high	86.3	Confident	78 Å²	78	27.4 Å²	27.4	31%	0.306	14%	0.144	S	C	.	.	H	α-helix	trans	-62.1	-46.9	175.1	-71.3	-57.3	0	0	0	111.8	N595 L598 N602 V625 T626 F627 Y631 N632 A633	N595-Y629 WeakPolarHBondContact OD1-CD1 3.35Å; L598-Y629 HydrophobicContact CB-CD1 4.29Å; L598-Y629 HydrophobicContact CB-CG 4.26Å; L598-Y629 HydrophobicContact CD1-CD1 4.18Å; L598-Y629 HydrophobicContact CD1-CE1 3.96Å; N602-Y629 VanDerWaalsContact ND2-CD2 3.32Å; N602-Y629 WeakPolarHBondContact ND2-CD2 3.35Å; N602-Y629 VanDerWaalsContact ND2-CE2 3.28Å; N602-Y629 WeakPolarHBondContact ND2-CE2 3.35Å; V625-Y629 HydrophobicContact CG1-CD2 3.92Å; V625-Y629 HydrophobicContact CG1-CE2 3.43Å; V625-Y629 VanDerWaalsContact CG1-CE2 3.43Å; V625-Y629 VanDerWaalsContact O-CD2 3.27Å; V625-Y629 WeakPolarHBondContact O-CD2 3.42Å; V625-Y629 PolarHBondContact O-N 3.14Å; V625-Y629 VanDerWaalsContact O-N 3.13Å; T626-Y629 PolarHBondContact O-N 3.15Å; F627-Y629 PolarHBondContact O-N 3.45Å; Y629-Y631 VanDerWaalsContact C-N 3.34Å; Y629-Y631 PolarHBondContact O-N 3.48Å; Y629-N632 PolarHBondContact O-N 2.85Å; Y629-A633 WeakPolarHBondContact O-CB 3.48Å; Y629-A633 PolarHBondContact O-N 2.86Å
630	A	95.8	Very high	88.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-39.4	178.4	0	0	0	0	0	112.4	T555 C558 L559 A599 T626 F627 A633 L634	T555-A630 HydrophobicContact CG2-CB 3.78Å; C558-A630 HydrophobicContact CB-CB 3.93Å; L559-A630 HydrophobicContact CD2-CB 3.88Å; L559-A630 HydrophobicContact CG-CB 4.05Å; A599-A630 HydrophobicContact CB-CB 4.03Å; T626-A630 PolarHBondContact O-N 3.49Å; F627-A630 PolarHBondContact O-N 2.85Å; A630-A633 WeakPolarHBondContact O-CB 3.16Å; A630-A633 PolarHBondContact O-N 3.42Å; A630-L634 PolarHBondContact O-N 3.22Å
631	Y	93.9	Very high	89.8	Confident	25 Å²	25	23.1 Å²	23.1	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-44.3	177.1	178.9	-116.5	0	0	0	112.2	V309 S310 S311 F627 Q628 Y629 A633 L634 I635	V309-Y631 HydrophobicContact CG1-CD2 4.45Å; V309-Y631 WeakPolarHBondContact O-CE2 3.35Å; S310-Y631 VanDerWaalsContact CA-CE2 3.48Å; S310-Y631 PolarHBondContact OG-OH 3.44Å; S311-Y631 VanDerWaalsContact CB-CE1 3.49Å; S311-Y631 WeakPolarHBondContact OG-CE1 3.45Å; F627-Y631 VanDerWaalsContact O-CB 3.3Å; F627-Y631 WeakPolarHBondContact O-CB 3.44Å; F627-Y631 PolarHBondContact O-N 2.79Å; Q628-Y631 PolarHBondContact O-N 2.83Å; Y629-Y631 VanDerWaalsContact C-N 3.34Å; Y629-Y631 PolarHBondContact O-N 3.48Å; Y631-A633 VanDerWaalsContact C-N 3.28Å; Y631-A633 PolarHBondContact O-N 2.83Å; Y631-L634 WeakPolarHBondContact O-CB 3.3Å; Y631-L634 PolarHBondContact O-N 2.94Å; Y631-L634 VanDerWaalsContact O-N 3.13Å; Y631-I635 HydrophobicContact CD1-CD1 3.66Å; Y631-I635 HydrophobicContact CD1-CG1 4.47Å; Y631-I635 HydrophobicContact CD2-CD1 4.39Å; Y631-I635 HydrophobicContact CD2-CG1 4.37Å; Y631-I635 HydrophobicContact CE1-CD1 3.09Å; Y631-I635 HydrophobicContact CE1-CG1 4Å; Y631-I635 HydrophobicContact CE2-CD1 3.88Å; Y631-I635 HydrophobicContact CE2-CG1 3.84Å; Y631-I635 HydrophobicContact CG-CD1 4.28Å; Y631-I635 PolarHBondContact O-N 2.97Å
632	N	93.4	Very high	90.5	Very high	47 Å²	47	27.4 Å²	27.4	25%	0.251	14%	0.139	S	C	.	.	H	α-helix	trans	-60.7	-39.1	174.2	-71.8	-15	0	0	0	111.5	Q628 Y629 L634 I635 S636	Q628-N632 WeakPolarHBondContact O-CB 3.31Å; Q628-N632 PolarHBondContact O-N 3.13Å; Q628-N632 PolarHBondContact O-ND2 3.05Å; Y629-N632 PolarHBondContact O-N 2.85Å; N632-L634 VanDerWaalsContact C-N 3.33Å; N632-L634 PolarHBondContact O-N 3.46Å; N632-I635 PolarHBondContact O-N 3.03Å; N632-S636 WeakPolarHBondContact O-CB 3.48Å; N632-S636 PolarHBondContact O-N 3.02Å
633	A	95.1	Very high	90.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-43.2	174.6	0	0	0	0	0	111.6	T562 S592 N595 W596 Y629 A630 Y631 S637	T562-A633 HydrophobicContact CG2-CB 4.19Å; S592-A633 PolarHBondContact OG-O 3.18Å; N595-A633 HydrophobicContact CB-CB 3.83Å; W596-A633 HydrophobicContact CB-CB 4.1Å; Y629-A633 WeakPolarHBondContact O-CB 3.48Å; Y629-A633 PolarHBondContact O-N 2.86Å; A630-A633 WeakPolarHBondContact O-CB 3.16Å; A630-A633 PolarHBondContact O-N 3.42Å; Y631-A633 VanDerWaalsContact C-N 3.28Å; Y631-A633 PolarHBondContact O-N 2.83Å; A633-S637 WeakPolarHBondContact O-CB 3.49Å; A633-S637 PolarHBondContact O-N 3.35Å; A633-S637 PolarHBondContact O-OG 3.42Å
634	L	93.3	Very high	90.4	Very high	18 Å²	18	33.6 Å²	33.6	9%	0.094	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-50.5	176.2	-178.8	63.4	0	0	0	112.1	C558 E561 T562 A630 Y631 N632 S636 S637 N638	C558-L634 HydrophobicContact CB-CB 4.38Å; C558-L634 HydrophobicContact CB-CD2 4.35Å; E561-L634 HydrophobicContact CB-CD1 3.74Å; T562-L634 VanDerWaalsContact OG1-CA 3.22Å; T562-L634 WeakPolarHBondContact OG1-CA 3.45Å; T562-L634 PolarHBondContact OG1-N 3.06Å; A630-L634 PolarHBondContact O-N 3.22Å; Y631-L634 WeakPolarHBondContact O-CB 3.3Å; Y631-L634 PolarHBondContact O-N 2.94Å; Y631-L634 VanDerWaalsContact O-N 3.13Å; N632-L634 VanDerWaalsContact C-N 3.33Å; N632-L634 PolarHBondContact O-N 3.46Å; L634-S636 PolarHBondContact O-N 2.88Å; L634-S637 PolarHBondContact O-N 2.89Å; L634-S637 PolarHBondContact O-OG 2.98Å; L634-N638 PolarHBondContact O-N 2.83Å
635	I	91	Very high	89.9	Confident	58 Å²	58	33.8 Å²	33.8	30%	0.297	17%	0.169	S	C	.	.	H	α-helix	trans	-57.8	-49.5	178.6	-65.9	163.9	0	0	0	110.5	Y631 N632 S637 N638 G639	Y631-I635 HydrophobicContact CD1-CD1 3.66Å; Y631-I635 HydrophobicContact CD1-CG1 4.47Å; Y631-I635 HydrophobicContact CD2-CD1 4.39Å; Y631-I635 HydrophobicContact CD2-CG1 4.37Å; Y631-I635 HydrophobicContact CE1-CD1 3.09Å; Y631-I635 HydrophobicContact CE1-CG1 4Å; Y631-I635 HydrophobicContact CE2-CD1 3.88Å; Y631-I635 HydrophobicContact CE2-CG1 3.84Å; Y631-I635 HydrophobicContact CG-CD1 4.28Å; Y631-I635 PolarHBondContact O-N 2.97Å; N632-I635 PolarHBondContact O-N 3.03Å; I635-S637 VanDerWaalsContact C-N 3.31Å; I635-S637 PolarHBondContact O-N 3.41Å; I635-N638 PolarHBondContact O-N 3.33Å; I635-G639 PolarHBondContact O-N 2.94Å
636	S	91.8	Very high	89.3	Confident	8 Å²	8	33.3 Å²	33.3	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-36.7	179.6	-78.6	0	0	0	0	112.1	E588 H591 N632 L634 G639 A640	E588-S636 WeakPolarHBondContact O-CB 3.44Å; E588-S636 WeakPolarHBondContact OE2-CA 3.4Å; E588-S636 WeakPolarHBondContact OE2-CB 3.48Å; E588-S636 PolarHBondContact OE2-OG 3.37Å; H591-S636 PolarHBondContact ND1-OG 3.05Å; N632-S636 WeakPolarHBondContact O-CB 3.48Å; N632-S636 PolarHBondContact O-N 3.02Å; L634-S636 PolarHBondContact O-N 2.88Å; S636-G639 PolarHBondContact O-N 3.38Å; S636-A640 WeakPolarHBondContact O-CB 3.22Å; S636-A640 PolarHBondContact O-N 2.98Å
637	S	92.3	Very high	88.1	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-43	175.2	73.8	0	0	0	0	112.4	T565 S592 A633 L634 I635 A640 F641	T565-S637 WeakPolarHBondContact OG1-CB 3.41Å; T565-S637 PolarHBondContact OG1-OG 3.32Å; S592-S637 WeakPolarHBondContact OG-CB 3.23Å; A633-S637 WeakPolarHBondContact O-CB 3.49Å; A633-S637 PolarHBondContact O-N 3.35Å; A633-S637 PolarHBondContact O-OG 3.42Å; L634-S637 PolarHBondContact O-N 2.89Å; L634-S637 PolarHBondContact O-OG 2.98Å; I635-S637 VanDerWaalsContact C-N 3.31Å; I635-S637 PolarHBondContact O-N 3.41Å; S637-A640 PolarHBondContact O-N 2.99Å; S637-F641 WeakPolarHBondContact O-CB 3.36Å; S637-F641 PolarHBondContact O-N 3.26Å
638	N	89	Confident	86.4	Confident	46 Å²	46	40.8 Å²	40.8	25%	0.246	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-42	177.3	-76.1	-19.8	0	0	0	110.6	T565 L634 I635 A640 F641 F642	T565-N638 WeakPolarHBondContact CG2-OD1 3.2Å; L634-N638 PolarHBondContact O-N 2.83Å; I635-N638 PolarHBondContact O-N 3.33Å; N638-A640 VanDerWaalsContact C-N 3.3Å; N638-A640 PolarHBondContact O-N 2.85Å; N638-F641 PolarHBondContact O-N 3Å; N638-F642 HydrophobicContact CB-CD2 4.09Å; N638-F642 HydrophobicContact CB-CE2 4.3Å; N638-F642 WeakPolarHBondContact O-CB 3.43Å; N638-F642 WeakPolarHBondContact O-CD2 3.46Å; N638-F642 PolarHBondContact O-N 3.4Å
639	G	86.7	Confident	84.6	Confident	27 Å²	27	42.5 Å²	42.5	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-57.3	-42.9	175.4	0	0	0	0	0	112	I635 S636 D643	I635-G639 PolarHBondContact O-N 2.94Å; S636-G639 PolarHBondContact O-N 3.38Å; G639-D643 PolarHBondContact O-N 2.67Å
640	A	88.1	Confident	82.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-47.6	174.4	0	0	0	0	0	112.7	L569 V585 E588 V589 S636 S637 N638 F642 D643 L646	L569-A640 HydrophobicContact CD2-CB 4.42Å; V585-A640 HydrophobicContact CG1-CB 4.17Å; E588-A640 HydrophobicContact CB-CB 3.88Å; V589-A640 HydrophobicContact CG2-CB 3.63Å; S636-A640 WeakPolarHBondContact O-CB 3.22Å; S636-A640 PolarHBondContact O-N 2.98Å; S637-A640 PolarHBondContact O-N 2.99Å; N638-A640 VanDerWaalsContact C-N 3.3Å; N638-A640 PolarHBondContact O-N 2.85Å; A640-F642 PolarHBondContact O-N 2.59Å; A640-D643 PolarHBondContact O-N 2.82Å; A640-L646 WeakPolarHBondContact O-CD1 3.38Å
641	F	88	Confident	80.6	Confident	52 Å²	52	49.8 Å²	49.8	23%	0.228	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-38.1	-175.2	-179.1	-94.1	0	0	0	113.1	L569 S637 N638	L569-F641 HydrophobicContact CB-CD2 3.95Å; L569-F641 HydrophobicContact CD1-CD2 4.13Å; S637-F641 WeakPolarHBondContact O-CB 3.36Å; S637-F641 PolarHBondContact O-N 3.26Å; N638-F641 PolarHBondContact O-N 3Å
642	F	83.4	Confident	78.7	Confident	89 Å²	89	53.7 Å²	53.7	39%	0.39	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	9.6	-178.6	-63.9	-68	0	0	0	113.2	L424 N638 A640 H644	L424-F642 HydrophobicContact CD1-CB 3.78Å; L424-F642 HydrophobicContact CD1-CD1 4.13Å; L424-F642 HydrophobicContact CD1-CG 4.37Å; L424-F642 WeakPolarHBondContact CD1-O 3.34Å; L424-F642 WeakPolarHBondContact CD2-O 3.47Å; L424-F642 HydrophobicContact CG-CB 4.41Å; L424-F642 WeakPolarHBondContact CG-O 3.14Å; N638-F642 HydrophobicContact CB-CD2 4.09Å; N638-F642 HydrophobicContact CB-CE2 4.3Å; N638-F642 WeakPolarHBondContact O-CB 3.43Å; N638-F642 WeakPolarHBondContact O-CD2 3.46Å; N638-F642 PolarHBondContact O-N 3.4Å; A640-F642 PolarHBondContact O-N 2.59Å; F642-H644 PolarHBondContact O-N 2.81Å
643	D	83.8	Confident	77	Confident	32 Å²	32	56.1 Å²	56.1	17%	0.171	29%	0.289	C	S	.	.			trans	-60.7	131	177.1	-168	-69.3	0	0	0	110.6	R582 V585 G639 A640 S645 L646	R582-D643 IonicContact CZ-OD1 3.84Å; R582-D643 IonicContact NH2-OD1 3.11Å; R582-D643 PolarHBondContact NH2-OD1 3.29Å; R582-D643 IonicContact NH2-OD2 3.11Å; R582-D643 PolarHBondContact NH2-OD2 2.83Å; R582-D643 VanDerWaalsContact NH2-OD2 3.11Å; V585-D643 HydrophobicContact CG2-CB 3.69Å; V585-D643 VanDerWaalsContact CG2-CG 3.49Å; G639-D643 PolarHBondContact O-N 2.67Å; A640-D643 PolarHBondContact O-N 2.82Å; D643-S645 PolarHBondContact O-N 2.9Å; D643-S645 VanDerWaalsContact OD1-CB 3.25Å; D643-S645 WeakPolarHBondContact OD1-CB 3.41Å; D643-S645 PolarHBondContact OD1-N 3.13Å; D643-S645 PolarHBondContact OD1-OG 3.15Å; D643-L646 PolarHBondContact O-N 3.33Å
644	H	79.3	Confident	75.2	Confident	129 Å²	129	59.2 Å²	59.2	60%	0.597	31%	0.306	S	S	*	.	H	α-helix	trans	-57.4	-26.5	-178.9	-171.2	-53.7	0	0	0	112.3	L424 F642 L646 L647 G648	L424-H644 HydrophobicContact CD2-CB 4.12Å; F642-H644 PolarHBondContact O-N 2.81Å; H644-L646 VanDerWaalsContact C-N 3.29Å; H644-L646 PolarHBondContact O-N 3.26Å; H644-L647 PolarHBondContact O-N 3.03Å; H644-G648 VanDerWaalsContact O-CA 3.3Å; H644-G648 WeakPolarHBondContact O-CA 3.19Å; H644-G648 PolarHBondContact O-N 3.34Å
645	S	78.4	Confident	73.8	Confident	5 Å²	5	64 Å²	64	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-33.2	176	58.1	0	0	0	0	113.8	V585 D643 L649	V585-S645 WeakPolarHBondContact CG2-OG 3.49Å; D643-S645 PolarHBondContact O-N 2.9Å; D643-S645 VanDerWaalsContact OD1-CB 3.25Å; D643-S645 WeakPolarHBondContact OD1-CB 3.41Å; D643-S645 PolarHBondContact OD1-N 3.13Å; D643-S645 PolarHBondContact OD1-OG 3.15Å; S645-L649 WeakPolarHBondContact O-CB 3.37Å; S645-L649 PolarHBondContact O-N 3.09Å
646	L	77.5	Confident	72.5	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-76.3	-28.3	178.1	-59.1	-172.9	0	0	0	112.1	L569 M579 V585 A640 D643 H644	L569-L646 HydrophobicContact CD1-CD1 3.69Å; M579-L646 HydrophobicContact CE-CB 4.38Å; M579-L646 HydrophobicContact CE-CD1 4.44Å; M579-L646 HydrophobicContact CE-CD2 3.72Å; M579-L646 HydrophobicContact CE-CG 4.41Å; M579-L646 HydrophobicContact CG-CD2 4.21Å; M579-L646 HydrophobicContact SD-CB 3.93Å; M579-L646 HydrophobicContact SD-CD2 3.91Å; M579-L646 HydrophobicContact SD-CG 4.46Å; V585-L646 HydrophobicContact CG1-CD1 4.04Å; V585-L646 HydrophobicContact CG1-CD2 4.31Å; V585-L646 HydrophobicContact CG1-CG 4.32Å; A640-L646 WeakPolarHBondContact O-CD1 3.38Å; D643-L646 PolarHBondContact O-N 3.33Å; H644-L646 VanDerWaalsContact C-N 3.29Å; H644-L646 PolarHBondContact O-N 3.26Å
647	L	66.6	Low	71.3	Confident	118 Å²	118	67.7 Å²	67.7	62%	0.618	35%	0.345	S	S	*	.	H	α-helix	trans	-96.3	-25.1	-178.4	-68.2	168.4	0	0	0	113.8	L424 H644	L424-L647 HydrophobicContact CD1-CD1 3.87Å; L424-L647 HydrophobicContact CD2-CD1 4.29Å; H644-L647 PolarHBondContact O-N 3.03Å
648	G	59.3	Low	70.2	Confident	41 Å²	41	73 Å²	73	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-120.4	-7.5	-161.9	0	0	0	0	0	116.1	H644 L650	H644-G648 VanDerWaalsContact O-CA 3.3Å; H644-G648 WeakPolarHBondContact O-CA 3.19Å; H644-G648 PolarHBondContact O-N 3.34Å; G648-L650 PolarHBondContact O-N 2.97Å
649	L	54.7	Low	69.4	Low	93 Å²	93	73.3 Å²	73.3	49%	0.487	38%	0.379	S	S	.	.	S	Bend	trans	-82.7	120.5	173	-75.4	166.2	0	0	0	109.4	S645 Y651	S645-L649 WeakPolarHBondContact O-CB 3.37Å; S645-L649 PolarHBondContact O-N 3.09Å; L649-Y651 PolarHBondContact O-N 3.34Å
650	L	52	Low	68.7	Low	129 Å²	129	77.2 Å²	77.2	68%	0.675	39%	0.393	S	S	*	.			trans	-34.9	111	171.1	-82.9	143.4	0	0	0	109.9	G648 F652	G648-L650 PolarHBondContact O-N 2.97Å; L650-F652 HydrophobicContact CB-CD2 4.29Å; L650-F652 HydrophobicContact CB-CE2 4.03Å; L650-F652 HydrophobicContact CB-CZ 4.45Å; L650-F652 WeakPolarHBondContact O-CD2 3.44Å; L650-F652 PolarHBondContact O-N 3.37Å
651	Y	54.2	Low	67.9	Low	103 Å²	103	80.6 Å²	80.6	40%	0.404	41%	0.406	S	S	.	.			trans	-58.7	92.3	166.8	-164	-105.9	0	0	0	106.5	L576 L649 E653	L576-Y651 HydrophobicContact CB-CE2 4.08Å; L576-Y651 HydrophobicContact CD2-CE2 3.65Å; L576-Y651 HydrophobicContact CG-CE2 4.33Å; L649-Y651 PolarHBondContact O-N 3.34Å; Y651-E653 HydrophobicContact CD1-CG 3.41Å; Y651-E653 VanDerWaalsContact CD1-CG 3.41Å; Y651-E653 HydrophobicContact CE1-CG 3.61Å; Y651-E653 PolarHBondContact O-N 3.39Å
652	F	54.5	Low	67.5	Low	106 Å²	106	81.3 Å²	81.3	47%	0.465	42%	0.415	S	S	.	.			trans	-73.9	87.6	170.7	-80.1	-74.7	0	0	0	105.9	L650 D654 Q656	L650-F652 HydrophobicContact CB-CD2 4.29Å; L650-F652 HydrophobicContact CB-CE2 4.03Å; L650-F652 HydrophobicContact CB-CZ 4.45Å; L650-F652 WeakPolarHBondContact O-CD2 3.44Å; L650-F652 PolarHBondContact O-N 3.37Å; F652-D654 PolarHBondContact O-N 2.95Å; F652-Q656 HydrophobicContact CD1-CB 4.16Å
653	E	57.8	Low	67.4	Low	99 Å²	99	81.5 Å²	81.5	46%	0.463	43%	0.425	S	S	.	.			trans	-49.8	142.2	167.1	-68.4	-174.2	153.2	0	0	108.4	Y651 D655 Q656	Y651-E653 HydrophobicContact CD1-CG 3.41Å; Y651-E653 VanDerWaalsContact CD1-CG 3.41Å; Y651-E653 HydrophobicContact CE1-CG 3.61Å; Y651-E653 PolarHBondContact O-N 3.39Å; E653-D655 HydrophobicContact CB-CB 4.49Å; E653-D655 PolarHBondContact O-N 3.35Å; E653-Q656 PolarHBondContact O-N 3.14Å
654	D	58.5	Low	67	Low	65 Å²	65	85 Å²	85	35%	0.348	44%	0.443	S	S	.	.	H	α-helix	trans	-48.4	-31.8	179.4	-85.3	-62.4	0	0	0	111.7	N578 F652 Q656 K657 Y658	N578-D654 PolarHBondContact ND2-OD2 3.35Å; F652-D654 PolarHBondContact O-N 2.95Å; D654-Q656 PolarHBondContact O-N 3.27Å; D654-K657 WeakPolarHBondContact O-CB 3.11Å; D654-K657 WeakPolarHBondContact O-CG 3.5Å; D654-K657 PolarHBondContact O-N 3.48Å; D654-K657 IonicContact OD1-NZ 2.77Å; D654-K657 PolarHBondContact OD1-NZ 3.13Å; D654-Y658 HydrophobicContact CB-CE2 4.11Å; D654-Y658 WeakPolarHBondContact O-CD2 3.48Å; D654-Y658 WeakPolarHBondContact O-CE2 3.47Å; D654-Y658 PolarHBondContact O-N 3.46Å
655	D	62.9	Low	66.9	Low	117 Å²	117	82.5 Å²	82.5	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-58.3	-38.1	176.2	-67.4	-14.9	0	0	0	114.2	E653 Y658 G659	E653-D655 HydrophobicContact CB-CB 4.49Å; E653-D655 PolarHBondContact O-N 3.35Å; D655-Y658 PolarHBondContact O-N 3.4Å; D655-G659 PolarHBondContact O-N 2.78Å; D655-G659 VanDerWaalsContact O-N 3.09Å
656	Q	64.1	Low	67.1	Low	92 Å²	92	86.3 Å²	86.3	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-75.1	-31.8	177.6	-68.1	-171.8	7.7	0	0	112.3	F652 E653 D654 Y658 G659 I660	F652-Q656 HydrophobicContact CD1-CB 4.16Å; E653-Q656 PolarHBondContact O-N 3.14Å; D654-Q656 PolarHBondContact O-N 3.27Å; Q656-Y658 VanDerWaalsContact C-N 3.29Å; Q656-Y658 PolarHBondContact O-N 3.19Å; Q656-G659 WeakPolarHBondContact O-CA 3.31Å; Q656-G659 PolarHBondContact O-N 3.31Å; Q656-G659 VanDerWaalsContact O-N 3.13Å; Q656-I660 WeakPolarHBondContact O-CG1 3.24Å; Q656-I660 PolarHBondContact O-N 3.08Å
657	K	66.6	Low	67.3	Low	52 Å²	52	89 Å²	89	23%	0.226	47%	0.472	C	S	.	.	H	α-helix	trans	-60.5	-44	172.6	117.5	-175	168.2	-156.3	0	109.8	D654 G659 I660 Y661	D654-K657 WeakPolarHBondContact O-CB 3.11Å; D654-K657 WeakPolarHBondContact O-CG 3.5Å; D654-K657 PolarHBondContact O-N 3.48Å; D654-K657 IonicContact OD1-NZ 2.77Å; D654-K657 PolarHBondContact OD1-NZ 3.13Å; K657-G659 VanDerWaalsContact C-N 3.31Å; K657-G659 PolarHBondContact O-N 2.82Å; K657-I660 PolarHBondContact O-N 3.42Å; K657-Y661 HydrophobicContact CB-CD2 4.33Å; K657-Y661 HydrophobicContact CB-CE2 4.35Å; K657-Y661 HydrophobicContact CG-CD2 4.15Å; K657-Y661 HydrophobicContact CG-CE2 4.43Å; K657-Y661 WeakPolarHBondContact O-CB 3.31Å; K657-Y661 WeakPolarHBondContact O-CD2 3.13Å; K657-Y661 PolarHBondContact O-N 3.39Å
658	Y	69.5	Low	68	Low	116 Å²	116	87.7 Å²	87.7	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-39.8	175.5	-61.3	-61.8	0	0	0	110.7	D654 D655 Q656 I660 Y661 T662	D654-Y658 HydrophobicContact CB-CE2 4.11Å; D654-Y658 WeakPolarHBondContact O-CD2 3.48Å; D654-Y658 WeakPolarHBondContact O-CE2 3.47Å; D654-Y658 PolarHBondContact O-N 3.46Å; D655-Y658 PolarHBondContact O-N 3.4Å; Q656-Y658 VanDerWaalsContact C-N 3.29Å; Q656-Y658 PolarHBondContact O-N 3.19Å; Y658-I660 VanDerWaalsContact C-N 3.31Å; Y658-I660 PolarHBondContact O-N 3Å; Y658-Y661 PolarHBondContact O-N 3.01Å; Y658-T662 WeakPolarHBondContact O-CB 3.45Å; Y658-T662 PolarHBondContact O-N 3.5Å; Y658-T662 PolarHBondContact O-OG1 3.44Å
659	G	72.5	Confident	69.1	Low	51 Å²	51	87.5 Å²	87.5	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-54.9	-40.9	174.4	0	0	0	0	0	114.4	D655 Q656 K657 P663	D655-G659 PolarHBondContact O-N 2.78Å; D655-G659 VanDerWaalsContact O-N 3.09Å; Q656-G659 WeakPolarHBondContact O-CA 3.31Å; Q656-G659 PolarHBondContact O-N 3.31Å; Q656-G659 VanDerWaalsContact O-N 3.13Å; K657-G659 VanDerWaalsContact C-N 3.31Å; K657-G659 PolarHBondContact O-N 2.82Å; G659-P663 WeakPolarHBondContact O-CD 2.98Å
660	I	70	Confident	70.5	Confident	109 Å²	109	89.5 Å²	89.5	56%	0.559	47%	0.468	S	S	*	.	H	α-helix	trans	-78	-37.6	-179.6	-62.8	167.8	0	0	0	111.8	Q656 K657 Y658	Q656-I660 WeakPolarHBondContact O-CG1 3.24Å; Q656-I660 PolarHBondContact O-N 3.08Å; K657-I660 PolarHBondContact O-N 3.42Å; Y658-I660 VanDerWaalsContact C-N 3.31Å; Y658-I660 PolarHBondContact O-N 3Å
661	Y	72.3	Confident	71.9	Confident	72 Å²	72	86.2 Å²	86.2	28%	0.282	46%	0.459	S	S	.	.	H	α-helix	trans	-90.4	-25.9	-173.1	-68.1	-55.3	0	0	0	114.1	W56 T60 K657 Y658 P663 L664 F665	W56-Y661 HydrophobicContact CZ2-CD1 4.49Å; W56-Y661 HydrophobicContact CZ2-CD2 4.18Å; W56-Y661 HydrophobicContact CZ2-CG 4.11Å; T60-Y661 HydrophobicContact CG2-CE1 4.29Å; K657-Y661 HydrophobicContact CB-CD2 4.33Å; K657-Y661 HydrophobicContact CB-CE2 4.35Å; K657-Y661 HydrophobicContact CG-CD2 4.15Å; K657-Y661 HydrophobicContact CG-CE2 4.43Å; K657-Y661 WeakPolarHBondContact O-CB 3.31Å; K657-Y661 WeakPolarHBondContact O-CD2 3.13Å; K657-Y661 PolarHBondContact O-N 3.39Å; Y658-Y661 PolarHBondContact O-N 3.01Å; Y661-P663 VanDerWaalsContact C-CD 3.48Å; Y661-L664 PolarHBondContact O-N 3.18Å; Y661-L664 VanDerWaalsContact O-N 3.09Å; Y661-F665 HydrophobicContact CD1-CD2 4.36Å; Y661-F665 AromaticContact CD1-CE2 3.89Å; Y661-F665 HydrophobicContact CD1-CE2 3.89Å; Y661-F665 HydrophobicContact CG-CD2 4.45Å; Y661-F665 HydrophobicContact CG-CE2 4.31Å; Y661-F665 WeakPolarHBondContact O-CD2 3.49Å; Y661-F665 PolarHBondContact O-N 3.41Å
662	T	79.7	Confident	73.2	Confident	67 Å²	67	83.8 Å²	83.8	41%	0.411	45%	0.453	S	S	.	.	H	α-helix	trans	-54.2	-44.7	-179.7	-62.8	0	0	0	0	113	Y658 L664 V666	Y658-T662 WeakPolarHBondContact O-CB 3.45Å; Y658-T662 PolarHBondContact O-N 3.5Å; Y658-T662 PolarHBondContact O-OG1 3.44Å; T662-L664 VanDerWaalsContact C-N 3.27Å; T662-L664 PolarHBondContact O-N 2.72Å; T662-V666 HydrophobicContact CG2-CB 4.39Å; T662-V666 HydrophobicContact CG2-CG2 3.45Å; T662-V666 VanDerWaalsContact CG2-CG2 3.45Å; T662-V666 WeakPolarHBondContact O-CB 3.44Å; T662-V666 VanDerWaalsContact O-CG2 3.29Å; T662-V666 WeakPolarHBondContact O-CG2 3.18Å; T662-V666 PolarHBondContact O-N 2.89Å
663	P	81.3	Confident	74.5	Confident	92 Å²	92	85.6 Å²	85.6	60%	0.597	46%	0.461	S	S	*	.	H	α-helix	trans	-63	-29.6	179	-22.3	33.8	0	0	0	114.1	G659 Y661 P667	G659-P663 WeakPolarHBondContact O-CD 2.98Å; Y661-P663 VanDerWaalsContact C-CD 3.48Å; P663-P667 WeakPolarHBondContact O-CD 3.2Å; P663-P667 WeakPolarHBondContact O-CG 3.35Å
664	L	76.2	Confident	75.6	Confident	106 Å²	106	83.7 Å²	83.7	56%	0.555	45%	0.454	S	S	*	.	H	α-helix	trans	-84.8	-46.3	179.2	-169.4	78	0	0	0	111.4	Y661 T662 I668	Y661-L664 PolarHBondContact O-N 3.18Å; Y661-L664 VanDerWaalsContact O-N 3.09Å; T662-L664 VanDerWaalsContact C-N 3.27Å; T662-L664 PolarHBondContact O-N 2.72Å; L664-I668 HydrophobicContact CG-CD1 4.49Å; L664-I668 VanDerWaalsContact O-CD1 3.3Å; L664-I668 WeakPolarHBondContact O-CD1 3.45Å; L664-I668 WeakPolarHBondContact O-CG1 3Å
665	F	77.2	Confident	76.6	Confident	77 Å²	77	82.8 Å²	82.8	34%	0.338	45%	0.452	S	S	.	.	H	α-helix	trans	-86.5	-28.8	-170.9	-74.4	-78	0	0	0	114.2	W56 Y661 G669	W56-F665 AromaticContact CD1-CZ 3.35Å; W56-F665 HydrophobicContact CD2-CE1 4.44Å; W56-F665 HydrophobicContact CD2-CZ 4.06Å; W56-F665 AromaticContact CE2-CE2 3.59Å; W56-F665 AromaticContact CE2-CZ 3.55Å; W56-F665 HydrophobicContact CG-CE1 4.34Å; W56-F665 AromaticContact CG-CZ 3.93Å; W56-F665 HydrophobicContact CG-CZ 3.93Å; W56-F665 HydrophobicContact CZ2-CD2 4.28Å; W56-F665 AromaticContact CZ2-CE2 3.85Å; W56-F665 HydrophobicContact CZ2-CE2 3.85Å; W56-F665 HydrophobicContact CZ2-CZ 4.23Å; W56-F665 AromaticContact NE1-CE2 3.26Å; W56-F665 VanDerWaalsContact NE1-CE2 3.26Å; W56-F665 AromaticContact NE1-CZ 3.07Å; Y661-F665 HydrophobicContact CD1-CD2 4.36Å; Y661-F665 AromaticContact CD1-CE2 3.89Å; Y661-F665 HydrophobicContact CD1-CE2 3.89Å; Y661-F665 HydrophobicContact CG-CD2 4.45Å; Y661-F665 HydrophobicContact CG-CE2 4.31Å; Y661-F665 WeakPolarHBondContact O-CD2 3.49Å; Y661-F665 PolarHBondContact O-N 3.41Å; F665-G669 WeakPolarHBondContact O-CA 3.14Å; F665-G669 PolarHBondContact O-N 2.84Å
666	V	82.5	Confident	77.3	Confident	85 Å²	85	79 Å²	79	52%	0.515	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-46.2	178.2	170.9	0	0	0	0	112	T662 I668 G669 F670	T662-V666 HydrophobicContact CG2-CB 4.39Å; T662-V666 HydrophobicContact CG2-CG2 3.45Å; T662-V666 VanDerWaalsContact CG2-CG2 3.45Å; T662-V666 WeakPolarHBondContact O-CB 3.44Å; T662-V666 VanDerWaalsContact O-CG2 3.29Å; T662-V666 WeakPolarHBondContact O-CG2 3.18Å; T662-V666 PolarHBondContact O-N 2.89Å; V666-I668 PolarHBondContact O-N 3.26Å; V666-G669 PolarHBondContact O-N 3.11Å; V666-F670 WeakPolarHBondContact O-CB 3.2Å; V666-F670 PolarHBondContact O-N 2.9Å
667	P	81.7	Confident	78.1	Confident	79 Å²	79	80.5 Å²	80.5	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-43.3	177.7	-24.4	35.1	0	0	0	112.8	P663 A671	P663-P667 WeakPolarHBondContact O-CD 3.2Å; P663-P667 WeakPolarHBondContact O-CG 3.35Å; P667-A671 WeakPolarHBondContact O-CB 3.29Å; P667-A671 PolarHBondContact O-N 2.92Å
668	I	81.3	Confident	78.6	Confident	91 Å²	91	85.5 Å²	85.5	47%	0.467	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-47.4	-179.8	-61.1	170	0	0	0	110.4	L664 V666 F670 A671 L672	L664-I668 HydrophobicContact CG-CD1 4.49Å; L664-I668 VanDerWaalsContact O-CD1 3.3Å; L664-I668 WeakPolarHBondContact O-CD1 3.45Å; L664-I668 WeakPolarHBondContact O-CG1 3Å; V666-I668 PolarHBondContact O-N 3.26Å; I668-F670 PolarHBondContact O-N 2.94Å; I668-A671 PolarHBondContact O-N 2.65Å; I668-L672 HydrophobicContact CG2-CD1 4.22Å; I668-L672 PolarHBondContact O-N 3.39Å
669	G	81.2	Confident	78.8	Confident	37 Å²	37	80.7 Å²	80.7	38%	0.381	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-41.6	178	0	0	0	0	0	112.1	F665 V666 L672 F673	F665-G669 WeakPolarHBondContact O-CA 3.14Å; F665-G669 PolarHBondContact O-N 2.84Å; V666-G669 PolarHBondContact O-N 3.11Å; G669-L672 PolarHBondContact O-N 3.07Å; G669-F673 VanDerWaalsContact O-CB 3.25Å; G669-F673 WeakPolarHBondContact O-CB 3.38Å; G669-F673 PolarHBondContact O-N 3.06Å
670	F	84.5	Confident	78.9	Confident	135 Å²	135	84 Å²	84	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-64.5	-42.4	175.6	-173.1	-98.2	0	0	0	111.8	V666 I668 F673 L674	V666-F670 WeakPolarHBondContact O-CB 3.2Å; V666-F670 PolarHBondContact O-N 2.9Å; I668-F670 PolarHBondContact O-N 2.94Å; F670-F673 PolarHBondContact O-N 2.76Å; F670-L674 HydrophobicContact CE1-CD2 4.3Å; F670-L674 VanDerWaalsContact O-CB 3.27Å; F670-L674 WeakPolarHBondContact O-CB 3.39Å; F670-L674 PolarHBondContact O-N 3.21Å
671	A	81	Confident	79.3	Confident	60 Å²	60	84.1 Å²	84.1	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.8	0	0	0	0	0	112.1	P667 I668 S675	P667-A671 WeakPolarHBondContact O-CB 3.29Å; P667-A671 PolarHBondContact O-N 2.92Å; I668-A671 PolarHBondContact O-N 2.65Å; A671-S675 VanDerWaalsContact O-CB 3.3Å; A671-S675 WeakPolarHBondContact O-CB 3.42Å; A671-S675 PolarHBondContact O-N 3.17Å
672	L	81	Confident	79.3	Confident	52 Å²	52	85.7 Å²	85.7	27%	0.272	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-43.8	176	-77	171	0	0	0	111.9	T48 I668 G669 S675 T676	T48-L672 HydrophobicContact CG2-CD1 4.02Å; I668-L672 HydrophobicContact CG2-CD1 4.22Å; I668-L672 PolarHBondContact O-N 3.39Å; G669-L672 PolarHBondContact O-N 3.07Å; L672-S675 PolarHBondContact O-N 3.1Å; L672-T676 WeakPolarHBondContact O-CB 3.31Å; L672-T676 PolarHBondContact O-N 3.05Å; L672-T676 PolarHBondContact O-OG1 3.19Å
673	F	82.3	Confident	78.9	Confident	144 Å²	144	85.6 Å²	85.6	63%	0.632	45%	0.445	S	S	*	.	H	α-helix	trans	-63.9	-45.4	178.3	-176.1	-97.4	0	0	0	111.6	G669 F670 S675 T676 Y677	G669-F673 VanDerWaalsContact O-CB 3.25Å; G669-F673 WeakPolarHBondContact O-CB 3.38Å; G669-F673 PolarHBondContact O-N 3.06Å; F670-F673 PolarHBondContact O-N 2.76Å; F673-S675 PolarHBondContact O-N 3.05Å; F673-T676 PolarHBondContact O-N 3.5Å; F673-Y677 WeakPolarHBondContact O-CB 3.32Å; F673-Y677 PolarHBondContact O-N 2.92Å
674	L	82.4	Confident	78.2	Confident	58 Å²	58	87 Å²	87	30%	0.304	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-39.7	179	-165.5	72.7	0	0	0	111.7	F670 T676 R678	F670-L674 HydrophobicContact CE1-CD2 4.3Å; F670-L674 VanDerWaalsContact O-CB 3.27Å; F670-L674 WeakPolarHBondContact O-CB 3.39Å; F670-L674 PolarHBondContact O-N 3.21Å; L674-T676 VanDerWaalsContact C-N 3.35Å; L674-R678 WeakPolarHBondContact O-CB 3.38Å; L674-R678 VanDerWaalsContact O-CG 3.27Å; L674-R678 WeakPolarHBondContact O-CG 3.34Å; L674-R678 PolarHBondContact O-N 3.35Å
675	S	79.3	Confident	77.6	Confident	46 Å²	46	90.2 Å²	90.2	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-58.6	-47.9	173	179.3	0	0	0	0	111.1	A671 L672 F673 R678 T679	A671-S675 VanDerWaalsContact O-CB 3.3Å; A671-S675 WeakPolarHBondContact O-CB 3.42Å; A671-S675 PolarHBondContact O-N 3.17Å; L672-S675 PolarHBondContact O-N 3.1Å; F673-S675 PolarHBondContact O-N 3.05Å; S675-R678 PolarHBondContact O-N 3.25Å; S675-T679 WeakPolarHBondContact O-CB 3.11Å; S675-T679 PolarHBondContact O-N 3.27Å; S675-T679 PolarHBondContact O-OG1 2.01Å
676	T	76.3	Confident	76.6	Confident	37 Å²	37	93.5 Å²	93.5	23%	0.227	47%	0.467	C	S	.	.	H	α-helix	trans	-67.1	-43.7	-179.3	-53.3	0	0	0	0	111.9	L45 L672 F673 L674 R678 T679 F680	L45-T676 HydrophobicContact CD1-CG2 3.7Å; L45-T676 WeakPolarHBondContact CD1-OG1 3.39Å; L672-T676 WeakPolarHBondContact O-CB 3.31Å; L672-T676 PolarHBondContact O-N 3.05Å; L672-T676 PolarHBondContact O-OG1 3.19Å; F673-T676 PolarHBondContact O-N 3.5Å; L674-T676 VanDerWaalsContact C-N 3.35Å; T676-R678 PolarHBondContact O-N 2.95Å; T676-T679 WeakPolarHBondContact O-CB 3.21Å; T676-T679 PolarHBondContact O-N 3.44Å; T676-F680 WeakPolarHBondContact O-CB 2.89Å; T676-F680 PolarHBondContact O-N 2.87Å
677	Y	82.1	Confident	74.9	Confident	125 Å²	125	95.9 Å²	95.9	49%	0.49	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-43	177.3	173.3	-108.4	0	0	0	112.1	F673 T679 F680 K681	F673-Y677 WeakPolarHBondContact O-CB 3.32Å; F673-Y677 PolarHBondContact O-N 2.92Å; Y677-T679 VanDerWaalsContact C-N 3.33Å; Y677-F680 PolarHBondContact O-N 3.44Å; Y677-K681 WeakPolarHBondContact O-CB 3.42Å; Y677-K681 PolarHBondContact O-N 3.18Å
678	R	77.2	Confident	72.8	Confident	156 Å²	156	102 Å²	102	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-42.4	175.9	-75.4	177.4	-179.5	-172.4	2	111.5	L674 S675 T676 K681 L682	L674-R678 WeakPolarHBondContact O-CB 3.38Å; L674-R678 VanDerWaalsContact O-CG 3.27Å; L674-R678 WeakPolarHBondContact O-CG 3.34Å; L674-R678 PolarHBondContact O-N 3.35Å; S675-R678 PolarHBondContact O-N 3.25Å; T676-R678 PolarHBondContact O-N 2.95Å; R678-K681 PolarHBondContact O-N 2.77Å; R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.46Å
679	T	72.9	Confident	72.4	Confident	15 Å²	15	102.5 Å²	102.5	9%	0.092	51%	0.508	C	S	.	.	H	α-helix	trans	-60	-49.7	174.3	-70.1	0	0	0	0	111.5	I38 S675 T676 Y677 K681 L682 V683	I38-T679 HydrophobicContact CB-CG2 3.92Å; I38-T679 HydrophobicContact CG1-CG2 3.69Å; I38-T679 HydrophobicContact CG2-CG2 3.52Å; S675-T679 WeakPolarHBondContact O-CB 3.11Å; S675-T679 PolarHBondContact O-N 3.27Å; S675-T679 PolarHBondContact O-OG1 2.01Å; T676-T679 WeakPolarHBondContact O-CB 3.21Å; T676-T679 PolarHBondContact O-N 3.44Å; Y677-T679 VanDerWaalsContact C-N 3.33Å; T679-K681 VanDerWaalsContact C-N 3.33Å; T679-K681 PolarHBondContact O-N 3.47Å; T679-L682 WeakPolarHBondContact O-CB 3.47Å; T679-L682 PolarHBondContact O-N 3.39Å; T679-L682 VanDerWaalsContact O-N 3.14Å; T679-V683 WeakPolarHBondContact O-CG2 2.88Å; T679-V683 PolarHBondContact O-N 3.45Å
680	F	75.4	Confident	71.9	Confident	121 Å²	121	105.9 Å²	105.9	53%	0.531	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-43.9	178.4	-167.5	-92.1	0	0	0	111.8	T676 Y677 L682 V683 F684	T676-F680 WeakPolarHBondContact O-CB 2.89Å; T676-F680 PolarHBondContact O-N 2.87Å; Y677-F680 PolarHBondContact O-N 3.44Å; F680-L682 VanDerWaalsContact C-N 3.34Å; F680-L682 PolarHBondContact O-N 3.21Å; F680-V683 PolarHBondContact O-N 3.35Å; F680-F684 AromaticContact CD1-CD2 3.85Å; F680-F684 HydrophobicContact CD1-CD2 3.85Å; F680-F684 HydrophobicContact CD1-CE2 4.36Å; F680-F684 HydrophobicContact CD2-CD2 4.2Å; F680-F684 HydrophobicContact CD2-CE2 4.11Å; F680-F684 AromaticContact CE1-CD2 3.48Å; F680-F684 HydrophobicContact CE1-CD2 3.48Å; F680-F684 VanDerWaalsContact CE1-CD2 3.48Å; F680-F684 AromaticContact CE1-CE2 3.69Å; F680-F684 HydrophobicContact CE1-CE2 3.69Å; F680-F684 HydrophobicContact CE1-CG 4.2Å; F680-F684 AromaticContact CE2-CD2 3.88Å; F680-F684 HydrophobicContact CE2-CD2 3.88Å; F680-F684 AromaticContact CE2-CE2 3.41Å; F680-F684 HydrophobicContact CE2-CE2 3.41Å; F680-F684 VanDerWaalsContact CE2-CE2 3.41Å; F680-F684 HydrophobicContact CE2-CZ 4.39Å; F680-F684 HydrophobicContact CG-CD2 4.2Å; F680-F684 AromaticContact CZ-CD2 3.5Å; F680-F684 HydrophobicContact CZ-CD2 3.5Å; F680-F684 AromaticContact CZ-CE2 3.17Å; F680-F684 HydrophobicContact CZ-CE2 3.17Å; F680-F684 HydrophobicContact CZ-CG 4.48Å; F680-F684 AromaticContact CZ-CZ 3.92Å; F680-F684 HydrophobicContact CZ-CZ 3.92Å; F680-F684 PolarHBondContact O-N 3.07Å
681	K	78.2	Confident	71.2	Confident	111 Å²	111	104.3 Å²	104.3	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-36.1	176.2	-174.6	175.4	-179	174.2	0	112.8	Y677 R678 T679 R685	Y677-K681 WeakPolarHBondContact O-CB 3.42Å; Y677-K681 PolarHBondContact O-N 3.18Å; R678-K681 PolarHBondContact O-N 2.77Å; T679-K681 VanDerWaalsContact C-N 3.33Å; T679-K681 PolarHBondContact O-N 3.47Å; K681-R685 WeakPolarHBondContact O-CB 3.06Å; K681-R685 PolarHBondContact O-N 2.65Å
682	L	72	Confident	70.6	Confident	106 Å²	106	106.9 Å²	106.9	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-67.8	-41.1	176.6	-88.4	161	0	0	0	112	R678 T679 F680	R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.46Å; T679-L682 WeakPolarHBondContact O-CB 3.47Å; T679-L682 PolarHBondContact O-N 3.39Å; T679-L682 VanDerWaalsContact O-N 3.14Å; F680-L682 VanDerWaalsContact C-N 3.34Å; F680-L682 PolarHBondContact O-N 3.21Å
683	V	70.1	Confident	70	Confident	64 Å²	64	110.4 Å²	110.4	39%	0.388	53%	0.526	S	S	.	.	H	α-helix	trans	-67.2	-47.4	177.7	175.4	0	0	0	0	111	I38 T679 F680 R685 N686	I38-V683 HydrophobicContact CD1-CG2 3.8Å; I38-V683 HydrophobicContact CG2-CG2 4.14Å; T679-V683 WeakPolarHBondContact O-CG2 2.88Å; T679-V683 PolarHBondContact O-N 3.45Å; F680-V683 PolarHBondContact O-N 3.35Å; V683-R685 PolarHBondContact O-N 3.07Å; V683-N686 PolarHBondContact O-N 3.36Å
684	F	67.6	Low	69.2	Low	122 Å²	122	108.1 Å²	108.1	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-76.9	-18.6	-177.3	-87.7	-86.4	0	0	0	114.8	F680 N686	F680-F684 AromaticContact CD1-CD2 3.85Å; F680-F684 HydrophobicContact CD1-CD2 3.85Å; F680-F684 HydrophobicContact CD1-CE2 4.36Å; F680-F684 HydrophobicContact CD2-CD2 4.2Å; F680-F684 HydrophobicContact CD2-CE2 4.11Å; F680-F684 AromaticContact CE1-CD2 3.48Å; F680-F684 HydrophobicContact CE1-CD2 3.48Å; F680-F684 VanDerWaalsContact CE1-CD2 3.48Å; F680-F684 AromaticContact CE1-CE2 3.69Å; F680-F684 HydrophobicContact CE1-CE2 3.69Å; F680-F684 HydrophobicContact CE1-CG 4.2Å; F680-F684 AromaticContact CE2-CD2 3.88Å; F680-F684 HydrophobicContact CE2-CD2 3.88Å; F680-F684 AromaticContact CE2-CE2 3.41Å; F680-F684 HydrophobicContact CE2-CE2 3.41Å; F680-F684 VanDerWaalsContact CE2-CE2 3.41Å; F680-F684 HydrophobicContact CE2-CZ 4.39Å; F680-F684 HydrophobicContact CG-CD2 4.2Å; F680-F684 AromaticContact CZ-CD2 3.5Å; F680-F684 HydrophobicContact CZ-CD2 3.5Å; F680-F684 AromaticContact CZ-CE2 3.17Å; F680-F684 HydrophobicContact CZ-CE2 3.17Å; F680-F684 HydrophobicContact CZ-CG 4.48Å; F680-F684 AromaticContact CZ-CZ 3.92Å; F680-F684 HydrophobicContact CZ-CZ 3.92Å; F680-F684 PolarHBondContact O-N 3.07Å; F684-N686 VanDerWaalsContact C-N 3.32Å
685	R	63.1	Low	68.2	Low	173 Å²	173	111.7 Å²	111.7	65%	0.653	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.4	175.3	-161.4	166.1	87.9	158.1	5.2	113.7	K681 V683	K681-R685 WeakPolarHBondContact O-CB 3.06Å; K681-R685 PolarHBondContact O-N 2.65Å; V683-R685 PolarHBondContact O-N 3.07Å
686	N	55.8	Low	67.4	Low	146 Å²	146	116.8 Å²	116.8	78%	0.781	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-5.2	174.5	-112.1	28.8	0	0	0	113.4	V683 F684	V683-N686 PolarHBondContact O-N 3.36Å; F684-N686 VanDerWaalsContact C-N 3.32Å
687	N	48.4	Very low	66.6	Low	135 Å²	135	123.4 Å²	123.4	72%	0.722	58%	0.577	S	S	*	*			trans	-104.2	4.6	178.1	-80.8	0.2	0	0	0	114.1
688	N	36.6	Very low	65.2	Low	207 Å²	207	123.3 Å²	123.3	100%	1.107	59%	0.585	S	S	*	*			trans	-129.5	0	168.9	-81.3	-10.8	0	0	0	108.7

Retrieved 688 of 688 residues in 141.5 ms (Link to these results)

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